A0A059RXC6_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 A0A059RXC6, 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
1M76.3Confident85.5Confident122 Ų12256.5 Ų56.560%0.60131%0.311SS*.  0-70.80-67-51.4-173.200113.5M3 H4 T5 Q59 V61M1-M3 PolarHBondContact O-N 2.89Å; M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 2.99Å; M1-H4 VanDerWaalsContact O-N 3.1Å; M1-T5 PolarHBondContact O-N 3.21Å; M1-T5 PolarHBondContact O-OG1 2.93Å; M1-Q59 HydrophobicContact CE-CB 4.49Å; M1-Q59 HydrophobicContact CE-CG 4.3Å; M1-Q59 VanDerWaalsContact CE-OE1 3.26Å; M1-V61 HydrophobicContact SD-CG2 4.04Å
2T83.2Confident85.6Confident114 Ų11454.2 Ų54.270%0.69930%0.297SS*.Hα-helixtrans-54.7-48.1-17651.60000113.3H4 T5 T6T2-H4 VanDerWaalsContact C-N 3.32Å; T2-H4 PolarHBondContact O-N 2.86Å; T2-T5 WeakPolarHBondContact CA-OG1 3.28Å; T2-T5 PolarHBondContact O-N 3.21Å; T2-T5 PolarHBondContact O-OG1 2.88Å; T2-T6 WeakPolarHBondContact O-CG2 3.48Å; T2-T6 PolarHBondContact O-N 3.12Å; T2-T6 PolarHBondContact O-OG1 2.81Å; T2-T6 VanDerWaalsContact O-OG1 3.11Å
3M83.9Confident86Confident89 Ų8955.8 Ų55.844%0.43831%0.31SS..Hα-helixtrans-61.1-38.3179-166.2-179.8-171.700113.2M1 T6 M7 F49M1-M3 PolarHBondContact O-N 2.89Å; M3-T6 VanDerWaalsContact CA-OG1 3.32Å; M3-T6 WeakPolarHBondContact CA-OG1 3.41Å; M3-T6 PolarHBondContact O-OG1 3.38Å; M3-M7 HydrophobicContact CE-CE 4.09Å; M3-M7 HydrophobicContact CG-CG 4.48Å; M3-M7 WeakPolarHBondContact O-CB 3.45Å; M3-M7 VanDerWaalsContact O-CG 3.22Å; M3-M7 WeakPolarHBondContact O-CG 3.29Å; M3-M7 PolarHBondContact O-N 3.05Å; M3-F49 HydrophobicContact CE-CD1 4.37Å; M3-F49 HydrophobicContact CE-CD2 4.43Å; M3-F49 HydrophobicContact CE-CE1 3.54Å; M3-F49 HydrophobicContact CE-CE2 3.62Å; M3-F49 HydrophobicContact CE-CZ 3.11Å; M3-F49 HydrophobicContact CG-CE1 3.66Å; M3-F49 HydrophobicContact CG-CZ 4.12Å; M3-F49 HydrophobicContact SD-CE1 3.47Å; M3-F49 WeakPolarHBondContact SD-CE1 3.23Å; M3-F49 HydrophobicContact SD-CE2 4.32Å; M3-F49 HydrophobicContact SD-CZ 3.27Å; M3-F49 WeakPolarHBondContact SD-CZ 3.35Å
4H83.2Confident86.5Confident6 Ų653.6 Ų53.63%0.02830%0.3CS..Hα-helixtrans-64.9-49.1176.6-177.7-47.6000109.8M1 T2 T6 M7 T8 M87M1-H4 WeakPolarHBondContact O-CB 3.4Å; M1-H4 PolarHBondContact O-N 2.99Å; M1-H4 VanDerWaalsContact O-N 3.1Å; T2-H4 VanDerWaalsContact C-N 3.32Å; T2-H4 PolarHBondContact O-N 2.86Å; H4-T6 VanDerWaalsContact C-N 3.35Å; H4-T6 PolarHBondContact O-N 2.93Å; H4-M7 PolarHBondContact O-N 3.36Å; H4-T8 WeakPolarHBondContact O-CG2 3.27Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 3.05Å; H4-M87 WeakPolarHBondContact CE1-CE 3.47Å; H4-M87 WeakPolarHBondContact NE2-CE 3.3Å
5T84.8Confident87Confident42 Ų4250.1 Ų50.126%0.25828%0.281SS..Hα-helixtrans-61.5-41.7179.552.50000112.4M1 T2 T8 T9 V61 I63M1-T5 PolarHBondContact O-N 3.21Å; M1-T5 PolarHBondContact O-OG1 2.93Å; T2-T5 WeakPolarHBondContact CA-OG1 3.28Å; T2-T5 PolarHBondContact O-N 3.21Å; T2-T5 PolarHBondContact O-OG1 2.88Å; T5-T8 WeakPolarHBondContact CA-OG1 3.47Å; T5-T8 PolarHBondContact O-N 3.19Å; T5-T8 PolarHBondContact O-OG1 3.38Å; T5-T9 WeakPolarHBondContact O-CG2 3.31Å; T5-T9 PolarHBondContact O-N 2.98Å; T5-T9 PolarHBondContact O-OG1 3.4Å; T5-T9 VanDerWaalsContact O-OG1 3.06Å; T5-V61 HydrophobicContact CG2-CG1 3.92Å; T5-I63 HydrophobicContact CG2-CD1 3.79Å; T5-I63 HydrophobicContact CG2-CG1 3.99Å
6T87.4Confident87.3Confident73 Ų7351.8 Ų51.845%0.44829%0.288SS..Hα-helixtrans-67.7-41.1178.852.60000111.9T2 M3 H4 T9 L10T2-T6 WeakPolarHBondContact O-CG2 3.48Å; T2-T6 PolarHBondContact O-N 3.12Å; T2-T6 PolarHBondContact O-OG1 2.81Å; T2-T6 VanDerWaalsContact O-OG1 3.11Å; M3-T6 VanDerWaalsContact CA-OG1 3.32Å; M3-T6 WeakPolarHBondContact CA-OG1 3.41Å; M3-T6 PolarHBondContact O-OG1 3.38Å; H4-T6 VanDerWaalsContact C-N 3.35Å; H4-T6 PolarHBondContact O-N 2.93Å; T6-T9 PolarHBondContact O-OG1 3.33Å; T6-L10 WeakPolarHBondContact O-CB 3.38Å; T6-L10 PolarHBondContact O-N 2.71Å
7M87.9Confident87.5Confident51 Ų5151.8 Ų51.825%0.25129%0.291SS..Hα-helixtrans-67.7-40.3178.7-70.6-62.1-177.500110.9M3 H4 L10 T11 I46 F49M3-M7 HydrophobicContact CE-CE 4.09Å; M3-M7 HydrophobicContact CG-CG 4.48Å; M3-M7 WeakPolarHBondContact O-CB 3.45Å; M3-M7 VanDerWaalsContact O-CG 3.22Å; M3-M7 WeakPolarHBondContact O-CG 3.29Å; M3-M7 PolarHBondContact O-N 3.05Å; H4-M7 PolarHBondContact O-N 3.36Å; M7-L10 PolarHBondContact O-N 3.46Å; M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 3.47Å; M7-I46 HydrophobicContact SD-CG2 4.24Å; M7-F49 HydrophobicContact CB-CD1 4.17Å; M7-F49 HydrophobicContact CG-CB 4.48Å; M7-F49 HydrophobicContact CG-CD1 3.65Å; M7-F49 HydrophobicContact CG-CE1 4.32Å; M7-F49 HydrophobicContact CG-CG 4.25Å
8T85.3Confident87.7Confident4 Ų448.9 Ų48.93%0.02527%0.274CS..Hα-helixtrans-65.9-44176.6500000113H4 T5 L10 T11 L12 P50 I63 L82 M87H4-T8 WeakPolarHBondContact O-CG2 3.27Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 3.05Å; T5-T8 WeakPolarHBondContact CA-OG1 3.47Å; T5-T8 PolarHBondContact O-N 3.19Å; T5-T8 PolarHBondContact O-OG1 3.38Å; T8-L10 PolarHBondContact O-N 2.92Å; T8-T11 PolarHBondContact O-N 3.43Å; T8-T11 PolarHBondContact O-OG1 3.29Å; T8-L12 PolarHBondContact O-N 3.28Å; T8-P50 HydrophobicContact CG2-CB 3.51Å; T8-P50 HydrophobicContact CG2-CG 3.88Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.44Å; T8-L82 HydrophobicContact CG2-CD1 3.67Å; T8-L82 HydrophobicContact CG2-CD2 3.95Å; T8-L82 HydrophobicContact CG2-CG 4.42Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.47Å; T8-M87 HydrophobicContact CG2-CE 3.91Å
9T87.5Confident87.8Confident41 Ų4148.2 Ų48.225%0.25227%0.27SS..Hα-helixtrans-64.8-34.5175.454.20000110.9T5 T6 L12 T13 I63T5-T9 WeakPolarHBondContact O-CG2 3.31Å; T5-T9 PolarHBondContact O-N 2.98Å; T5-T9 PolarHBondContact O-OG1 3.4Å; T5-T9 VanDerWaalsContact O-OG1 3.06Å; T6-T9 PolarHBondContact O-OG1 3.33Å; T9-L12 PolarHBondContact O-N 2.71Å; T9-T13 WeakPolarHBondContact O-CB 2.97Å; T9-T13 VanDerWaalsContact O-CG2 3.26Å; T9-T13 WeakPolarHBondContact O-CG2 3.37Å; T9-T13 PolarHBondContact O-N 3.43Å; T9-T13 PolarHBondContact O-OG1 3.42Å; T9-I63 HydrophobicContact CG2-CD1 4.35Å
10L90.9Very high87.8Confident76 Ų7650.6 Ų50.640%0.39828%0.281SS..Hα-helixtrans-66.3-38174.4-163.2143.5000112.2T6 M7 T8 L12 T13 S14 I46T6-L10 WeakPolarHBondContact O-CB 3.38Å; T6-L10 PolarHBondContact O-N 2.71Å; M7-L10 PolarHBondContact O-N 3.46Å; T8-L10 PolarHBondContact O-N 2.92Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.44Å; L10-T13 WeakPolarHBondContact CA-OG1 3.4Å; L10-T13 PolarHBondContact O-N 2.65Å; L10-T13 PolarHBondContact O-OG1 2.95Å; L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 3.18Å; L10-S14 PolarHBondContact O-OG 2.95Å; L10-I46 HydrophobicContact CD2-CB 4.31Å; L10-I46 HydrophobicContact CD2-CD1 3.33Å; L10-I46 HydrophobicContact CD2-CG1 3.95Å; L10-I46 HydrophobicContact CD2-CG2 3.55Å
11T89.9Confident87.7Confident4 Ų450.8 Ų50.83%0.02528%0.284CS..Hα-helixtrans-60.1-41.8174.261.90000112.7M7 T8 S14 I46M7-T11 WeakPolarHBondContact O-CG2 3.32Å; M7-T11 PolarHBondContact O-N 3.47Å; T8-T11 PolarHBondContact O-N 3.43Å; T8-T11 PolarHBondContact O-OG1 3.29Å; T11-S14 PolarHBondContact O-OG 3.29Å; T11-S14 VanDerWaalsContact O-OG 3.12Å; T11-I46 HydrophobicContact CG2-CB 4.19Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å
12L87.3Confident88Confident28 Ų2846.4 Ų46.415%0.14726%0.264CS..Hα-helixtrans-75.1-41.3-179-65.7174.7000111.7T8 T9 L10 F80 L129 T133T8-L12 PolarHBondContact O-N 3.28Å; T9-L12 PolarHBondContact O-N 2.71Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.44Å; L12-F80 HydrophobicContact CD1-CD1 3.81Å; L12-F80 HydrophobicContact CD1-CD2 4.35Å; L12-F80 HydrophobicContact CD1-CE1 3.71Å; L12-F80 HydrophobicContact CD1-CE2 4.28Å; L12-F80 HydrophobicContact CD1-CG 4.12Å; L12-F80 HydrophobicContact CD1-CZ 3.97Å; L12-L129 HydrophobicContact CD2-CB 4.04Å; L12-T133 HydrophobicContact CD2-CG2 4.49Å
13T90.3Very high88Confident76 Ų7647.2 Ų47.247%0.46626%0.263SS..Hα-helixtrans-76.9-30.2-176.354.80000113.4T9 L10 L15 I16 P17T9-T13 WeakPolarHBondContact O-CB 2.97Å; T9-T13 VanDerWaalsContact O-CG2 3.26Å; T9-T13 WeakPolarHBondContact O-CG2 3.37Å; T9-T13 PolarHBondContact O-N 3.43Å; T9-T13 PolarHBondContact O-OG1 3.42Å; L10-T13 WeakPolarHBondContact CA-OG1 3.4Å; L10-T13 PolarHBondContact O-N 2.65Å; L10-T13 PolarHBondContact O-OG1 2.95Å; T13-L15 PolarHBondContact O-N 2.88Å; T13-L15 VanDerWaalsContact O-N 3.11Å; T13-I16 WeakPolarHBondContact O-CB 3.11Å; T13-I16 PolarHBondContact O-N 2.78Å; T13-I16 VanDerWaalsContact O-N 3.07Å; T13-P17 VanDerWaalsContact O-CD 3.28Å; T13-P17 WeakPolarHBondContact O-CD 3.18Å
14S93.1Very high87.8Confident24 Ų2448.1 Ų48.117%0.16827%0.274CS..THydrogen-bonded Turntrans-64.1-14.9-179.950.90000114.6L10 T11 P17 I39 T43L10-S14 WeakPolarHBondContact O-CB 3.11Å; L10-S14 PolarHBondContact O-N 3.18Å; L10-S14 PolarHBondContact O-OG 2.95Å; T11-S14 PolarHBondContact O-OG 3.29Å; T11-S14 VanDerWaalsContact O-OG 3.12Å; S14-P17 WeakPolarHBondContact O-CD 3.23Å; S14-I39 VanDerWaalsContact O-CG2 3.23Å; S14-I39 WeakPolarHBondContact O-CG2 3.44Å; S14-T43 WeakPolarHBondContact OG-CG2 3.45Å
15L93.4Very high87.4Confident1 Ų152.1 Ų52.11%0.00530%0.295CS..THydrogen-bonded Turntrans-86.2-13.4175.6-64.8164.9000114T13 P18 I39 V40 T43 L94 L122 L125 I126 L129T13-L15 PolarHBondContact O-N 2.88Å; T13-L15 VanDerWaalsContact O-N 3.11Å; L15-P18 WeakPolarHBondContact O-CD 3.45Å; L15-I39 HydrophobicContact CD2-CG2 4.48Å; L15-V40 HydrophobicContact CD2-CG2 4.15Å; L15-T43 HydrophobicContact CD2-CG2 3.7Å; L15-T43 HydrophobicContact CG-CG2 3.96Å; L15-L94 HydrophobicContact CD1-CD2 4.41Å; L15-L122 HydrophobicContact CB-CD1 4.45Å; L15-L122 HydrophobicContact CD2-CD1 3.95Å; L15-L125 HydrophobicContact CD1-CD2 3.44Å; L15-L125 VanDerWaalsContact CD1-CD2 3.44Å; L15-L125 HydrophobicContact CD2-CD2 3.65Å; L15-L125 HydrophobicContact CG-CD2 4.11Å; L15-I126 HydrophobicContact CB-CD1 3.97Å; L15-I126 HydrophobicContact CB-CG1 3.86Å; L15-I126 HydrophobicContact CD1-CG1 4.33Å; L15-L129 HydrophobicContact CD1-CD1 3.25Å
16I92.3Very high86.5Confident77 Ų7754.8 Ų54.840%0.39531%0.313SS..Hα-helixtrans-75.9-39.4-177.9-57.7173.7000113.5T13 P18 I19 L20T13-I16 WeakPolarHBondContact O-CB 3.11Å; T13-I16 PolarHBondContact O-N 2.78Å; T13-I16 VanDerWaalsContact O-N 3.07Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; I16-I19 WeakPolarHBondContact O-CB 3.19Å; I16-I19 PolarHBondContact O-N 2.99Å; I16-L20 HydrophobicContact CG2-CD1 3.84Å; I16-L20 HydrophobicContact CG2-CG 3.98Å; I16-L20 PolarHBondContact O-N 3.15Å
17P90.9Very high85.1Confident52 Ų5257.4 Ų57.434%0.33833%0.325SS..Hα-helixtrans-51.7-44.9-176.7-25.631.5000115.2T13 S14 I19 L20 T21T13-P17 VanDerWaalsContact O-CD 3.28Å; T13-P17 WeakPolarHBondContact O-CD 3.18Å; S14-P17 WeakPolarHBondContact O-CD 3.23Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.47Å; P17-L20 PolarHBondContact O-N 3.41Å; P17-L20 VanDerWaalsContact O-N 3.14Å; P17-T21 WeakPolarHBondContact O-CG2 3.29Å; P17-T21 PolarHBondContact O-N 3.22Å
18P90.2Very high83.7Confident0 Ų062.8 Ų62.80%035%0.347CS..Hα-helixtrans-58.4-38.5177.3-13.621.3000113.4L15 I16 T21 T22 Y32 Y35 V36 I39 L122L15-P18 WeakPolarHBondContact O-CD 3.45Å; I16-P18 VanDerWaalsContact C-CD 3.47Å; P18-T21 PolarHBondContact O-N 3.2Å; P18-T21 PolarHBondContact O-OG1 2.97Å; P18-T22 PolarHBondContact O-N 3.31Å; P18-Y32 HydrophobicContact CB-CE2 4.19Å; P18-Y35 HydrophobicContact CB-CD1 4.33Å; P18-Y35 HydrophobicContact CB-CE1 3.96Å; P18-Y35 HydrophobicContact CG-CE1 4.15Å; P18-V36 HydrophobicContact CB-CG2 3.95Å; P18-I39 HydrophobicContact CG-CB 4.37Å; P18-I39 HydrophobicContact CG-CD1 3.55Å; P18-I39 HydrophobicContact CG-CG2 4.09Å; P18-L122 HydrophobicContact CB-CD2 3.52Å; P18-L122 HydrophobicContact CG-CD2 3.69Å
19I90.5Very high82.6Confident36 Ų3670 Ų7019%0.18538%0.377CS..Hα-helixtrans-65.2-46177.7-61.6174.2000110I16 P17 T21 T22 L23 L122 I123 I126I16-I19 WeakPolarHBondContact O-CB 3.19Å; I16-I19 PolarHBondContact O-N 2.99Å; P17-I19 VanDerWaalsContact C-N 3.27Å; P17-I19 PolarHBondContact O-N 3.47Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 3.34Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 VanDerWaalsContact O-N 3.14Å; I19-T22 PolarHBondContact O-OG1 2.94Å; I19-L23 PolarHBondContact O-N 3.35Å; I19-L122 HydrophobicContact CD1-CD2 4.32Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.77Å; I19-L122 HydrophobicContact CG1-CG 4.32Å; I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.3Å; I19-I126 HydrophobicContact CD1-CD1 3.25Å; I19-I126 HydrophobicContact CG1-CD1 4.46Å
20L88.1Confident81.3Confident95 Ų9575.1 Ų75.150%0.49740%0.403SS..Hα-helixtrans-59.8-39.2176.5-66.2174.1000111.9I16 P17 T22 L23 V24I16-L20 HydrophobicContact CG2-CD1 3.84Å; I16-L20 HydrophobicContact CG2-CG 3.98Å; I16-L20 PolarHBondContact O-N 3.15Å; P17-L20 PolarHBondContact O-N 3.41Å; P17-L20 VanDerWaalsContact O-N 3.14Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.41Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-L23 VanDerWaalsContact O-N 3.08Å; L20-V24 PolarHBondContact O-N 2.93Å; L20-V24 VanDerWaalsContact O-N 3.16Å
21T85Confident80.8Confident55 Ų5575.6 Ų75.634%0.33741%0.413SS..Hα-helixtrans-61.6-35.1177.663.60000112.6P17 P18 I19 L23 V24 N25 Y35P17-T21 WeakPolarHBondContact O-CG2 3.29Å; P17-T21 PolarHBondContact O-N 3.22Å; P18-T21 PolarHBondContact O-N 3.2Å; P18-T21 PolarHBondContact O-OG1 2.97Å; I19-T21 VanDerWaalsContact C-N 3.29Å; I19-T21 PolarHBondContact O-N 3.34Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.29Å; T21-V24 PolarHBondContact O-N 3.15Å; T21-N25 PolarHBondContact O-N 2.94Å; T21-Y35 HydrophobicContact CG2-CE1 4.22Å
22T82.7Confident80.8Confident30 Ų3076.3 Ų76.318%0.18442%0.416CS..Hα-helixtrans-69.3-26.5176.366.10000113.4P18 I19 L20 Y32 K119P18-T22 PolarHBondContact O-N 3.31Å; I19-T22 PolarHBondContact O-N 3.42Å; I19-T22 VanDerWaalsContact O-N 3.14Å; I19-T22 PolarHBondContact O-OG1 2.94Å; L20-T22 VanDerWaalsContact C-N 3.27Å; L20-T22 PolarHBondContact O-N 3.41Å; T22-Y32 HydrophobicContact CG2-CD2 4.18Å; T22-Y32 HydrophobicContact CG2-CE1 4.2Å; T22-Y32 HydrophobicContact CG2-CE2 3.38Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.5Å; T22-K119 HydrophobicContact CG2-CD 4.24Å; T22-K119 WeakPolarHBondContact OG1-CD 3.29Å
23L82.6Confident81Confident131 Ų13175.3 Ų75.369%0.68641%0.411SS*.Hα-helixtrans-75-39.2175.3-66.9170.6000111.5I19 L20 T21I19-L23 PolarHBondContact O-N 3.35Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 WeakPolarHBondContact O-CB 3.46Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-L23 VanDerWaalsContact O-N 3.08Å; T21-L23 VanDerWaalsContact C-N 3.29Å; T21-L23 PolarHBondContact O-N 3.29Å
24V80.8Confident81.1Confident109 Ų10976.7 Ų76.766%0.66141%0.412SS*.Hα-helixtrans-78.9-42.7-177.61790000111.9L20 T21L20-V24 PolarHBondContact O-N 2.93Å; L20-V24 VanDerWaalsContact O-N 3.16Å; T21-V24 PolarHBondContact O-N 3.15Å
25N75Confident81.1Confident90 Ų9079.9 Ų79.948%0.48142%0.421SS..  trans-132.280.1-174.2-77.1-34.6000111.5T21 N27T21-N25 PolarHBondContact O-N 2.94Å; N25-N27 PolarHBondContact O-N 3.38Å; N25-N27 VanDerWaalsContact O-N 3.12Å
26P65Low81.1Confident97 Ų9779.8 Ų79.863%0.6342%0.42SS*.THydrogen-bonded Turntrans-64.5-18.8-17925.8-34.5000113.6
27N58.4Low81.3Confident129 Ų12978.1 Ų78.169%0.6941%0.41SS*.THydrogen-bonded Turntrans-105.11-165.9-72.3-14000116.3N25 K29N25-N27 PolarHBondContact O-N 3.38Å; N25-N27 VanDerWaalsContact O-N 3.12Å; N27-K29 WeakPolarHBondContact O-CG 3.19Å; N27-K29 PolarHBondContact O-N 3.01Å
28K59.3Low81.5Confident163 Ų16378.7 Ų78.771%0.70942%0.415SS*.  trans-82.8111.6176.3-82.1-174.6177.1178.40110.7
29K61.5Low81.7Confident155 Ų15579.6 Ų79.667%0.67442%0.42SS*.  trans-97.9-18.1-148.9-91.4170.4178.2-178.50118.9N27 N115N27-K29 WeakPolarHBondContact O-CG 3.19Å; N27-K29 PolarHBondContact O-N 3.01Å; K29-N115 PolarHBondContact O-ND2 3.43Å
30N61Low82Confident149 Ų14977.9 Ų77.980%0.79741%0.411SS*.SBendtrans-117-22.8-167-68.67000117.3
31S80.4Confident82.4Confident86 Ų8674.2 Ų74.260%0.60140%0.395SS*.SBendtrans-109.4-1.8-173.358.70000115.3H34 Y35S31-H34 PolarHBondContact O-N 3.25Å; S31-Y35 WeakPolarHBondContact O-CB 3.23Å; S31-Y35 PolarHBondContact O-N 3.27Å
32Y89.5Confident82.9Confident20 Ų2074 Ų748%0.07840%0.396CS..Hα-helixtrans-59.3-45-176.9178.8-98.2000113.6P18 T22 H34 Y35 V36 N115 F118P18-Y32 HydrophobicContact CB-CE2 4.19Å; T22-Y32 HydrophobicContact CG2-CD2 4.18Å; T22-Y32 HydrophobicContact CG2-CE1 4.2Å; T22-Y32 HydrophobicContact CG2-CE2 3.38Å; T22-Y32 WeakPolarHBondContact CG2-OH 3.5Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.3Å; Y32-Y35 HydrophobicContact CD2-CD1 4.39Å; Y32-Y35 WeakPolarHBondContact O-CB 3.47Å; Y32-Y35 PolarHBondContact O-N 3.25Å; Y32-Y35 VanDerWaalsContact O-N 3.15Å; Y32-V36 HydrophobicContact CD1-CG2 4.05Å; Y32-V36 HydrophobicContact CD2-CG2 4.25Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.76Å; Y32-V36 HydrophobicContact CG-CG2 4.38Å; Y32-V36 WeakPolarHBondContact O-CG2 3.43Å; Y32-V36 PolarHBondContact O-N 3.04Å; Y32-N115 HydrophobicContact CD1-CB 3.95Å; Y32-N115 WeakPolarHBondContact CE1-O 3.3Å; Y32-F118 HydrophobicContact CD1-CB 4.4Å; Y32-F118 HydrophobicContact CE1-CB 3.99Å
33P91.8Very high83.6Confident6 Ų672.6 Ų72.64%0.03939%0.387CS..Hα-helixtrans-62.2-38.9179.1-26.939.9000112.7K37 L105 I114 N115 F118P33-K37 WeakPolarHBondContact O-CB 3.07Å; P33-K37 PolarHBondContact O-N 2.9Å; P33-L105 HydrophobicContact CB-CD2 3.27Å; P33-L105 HydrophobicContact CG-CD2 4.46Å; P33-I114 HydrophobicContact CG-CD1 4.38Å; P33-I114 HydrophobicContact CG-CG1 4.27Å; P33-I114 HydrophobicContact CG-CG2 4.22Å; P33-N115 VanDerWaalsContact CD-OD1 3.26Å; P33-N115 WeakPolarHBondContact CD-OD1 3.41Å; P33-N115 WeakPolarHBondContact CG-OD1 3.48Å; P33-F118 HydrophobicContact CB-CD1 4.1Å; P33-F118 HydrophobicContact CB-CD2 3.91Å; P33-F118 HydrophobicContact CB-CE1 3.97Å; P33-F118 HydrophobicContact CB-CE2 3.77Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.8Å; P33-F118 HydrophobicContact CG-CD2 4.23Å; P33-F118 HydrophobicContact CG-CE2 4.38Å
34H92.7Very high84.2Confident106 Ų10667.9 Ų67.949%0.49136%0.361SS..Hα-helixtrans-67.4-38.3175-72.2-71.9000112.5S31 Y32 K37 S38S31-H34 PolarHBondContact O-N 3.25Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-H34 PolarHBondContact O-N 3.3Å; H34-K37 PolarHBondContact O-N 3.46Å; H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.45Å
35Y92.3Very high84.9Confident90 Ų9068.2 Ų68.235%0.35336%0.358SS..Hα-helixtrans-64.7-43.9175.1173-116.7000112.3P18 T21 S31 Y32 S38 I39P18-Y35 HydrophobicContact CB-CD1 4.33Å; P18-Y35 HydrophobicContact CB-CE1 3.96Å; P18-Y35 HydrophobicContact CG-CE1 4.15Å; T21-Y35 HydrophobicContact CG2-CE1 4.22Å; S31-Y35 WeakPolarHBondContact O-CB 3.23Å; S31-Y35 PolarHBondContact O-N 3.27Å; Y32-Y35 HydrophobicContact CD2-CD1 4.39Å; Y32-Y35 WeakPolarHBondContact O-CB 3.47Å; Y32-Y35 PolarHBondContact O-N 3.25Å; Y32-Y35 VanDerWaalsContact O-N 3.15Å; Y35-S38 PolarHBondContact O-N 3.24Å; Y35-S38 PolarHBondContact O-OG 2.97Å; Y35-I39 HydrophobicContact CD1-CD1 4.23Å; Y35-I39 HydrophobicContact CD2-CD1 3.89Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.26Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.34Å; Y35-I39 WeakPolarHBondContact O-CG1 3.48Å; Y35-I39 PolarHBondContact O-N 3.11Å; Y35-I39 VanDerWaalsContact OH-CD1 3.29Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.4Å
36V94.2Very high85.9Confident0 Ų065.9 Ų65.90%035%0.345CS..Hα-helixtrans-62.6-45174.8175.10000110.5P18 Y32 S38 I39 V40 M101 F118 L122P18-V36 HydrophobicContact CB-CG2 3.95Å; Y32-V36 HydrophobicContact CD1-CG2 4.05Å; Y32-V36 HydrophobicContact CD2-CG2 4.25Å; Y32-V36 HydrophobicContact CE1-CG2 3.54Å; Y32-V36 HydrophobicContact CE2-CG2 3.76Å; Y32-V36 HydrophobicContact CG-CG2 4.38Å; Y32-V36 WeakPolarHBondContact O-CG2 3.43Å; Y32-V36 PolarHBondContact O-N 3.04Å; V36-S38 PolarHBondContact O-N 3Å; V36-I39 PolarHBondContact O-N 2.78Å; V36-V40 WeakPolarHBondContact O-CG2 3.47Å; V36-V40 PolarHBondContact O-N 3.41Å; V36-M101 HydrophobicContact CG1-CE 3.34Å; V36-M101 HydrophobicContact CG1-SD 4.17Å; V36-F118 HydrophobicContact CB-CD1 4.2Å; V36-F118 HydrophobicContact CG1-CD1 4.17Å; V36-L122 HydrophobicContact CG1-CB 4.43Å; V36-L122 HydrophobicContact CG1-CD1 4.45Å; V36-L122 HydrophobicContact CG1-CD2 4.34Å
37K95.3Very high87.3Confident41 Ų4161.3 Ų61.318%0.17832%0.315CS..Hα-helixtrans-56.9-48.5175.7177.3-163.4169.5-176.80111.7P33 H34 I39 V40 A41 E102 L105P33-K37 WeakPolarHBondContact O-CB 3.07Å; P33-K37 PolarHBondContact O-N 2.9Å; H34-K37 PolarHBondContact O-N 3.46Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.85Å; K37-V40 PolarHBondContact O-N 2.82Å; K37-A41 WeakPolarHBondContact O-CB 3.23Å; K37-A41 PolarHBondContact O-N 3.32Å; K37-E102 HydrophobicContact CD-CB 4.16Å; K37-E102 HydrophobicContact CD-CG 4.31Å; K37-E102 VanDerWaalsContact CE-CD 3.41Å; K37-E102 VanDerWaalsContact CE-OE2 3.23Å; K37-E102 WeakPolarHBondContact CE-OE2 3.15Å; K37-E102 IonicContact NZ-OE1 2.65Å; K37-E102 PolarHBondContact NZ-OE1 3.37Å; K37-E102 IonicContact NZ-OE2 2.96Å; K37-E102 PolarHBondContact NZ-OE2 3.18Å; K37-L105 HydrophobicContact CD-CD1 3.97Å
38S95.1Very high89Confident64 Ų6458.5 Ų58.545%0.44830%0.3SS..Hα-helixtrans-66.2-36.3-177.6620000111.9H34 Y35 V36 A41 S42H34-S38 PolarHBondContact O-N 2.94Å; H34-S38 PolarHBondContact O-OG 3.45Å; Y35-S38 PolarHBondContact O-N 3.24Å; Y35-S38 PolarHBondContact O-OG 2.97Å; V36-S38 PolarHBondContact O-N 3Å; S38-A41 PolarHBondContact O-N 3.45Å; S38-S42 PolarHBondContact O-N 2.82Å; S38-S42 PolarHBondContact O-OG 3.03Å
39I95.5Very high90.5Very high19 Ų1953.8 Ų53.810%0.09728%0.279CS..Hα-helixtrans-63.4-51.8174.2-77.2174.6000110.8S14 L15 P18 Y35 V36 K37 A41 S42 T43S14-I39 VanDerWaalsContact O-CG2 3.23Å; S14-I39 WeakPolarHBondContact O-CG2 3.44Å; L15-I39 HydrophobicContact CD2-CG2 4.48Å; P18-I39 HydrophobicContact CG-CB 4.37Å; P18-I39 HydrophobicContact CG-CD1 3.55Å; P18-I39 HydrophobicContact CG-CG2 4.09Å; Y35-I39 HydrophobicContact CD1-CD1 4.23Å; Y35-I39 HydrophobicContact CD2-CD1 3.89Å; Y35-I39 HydrophobicContact CD2-CG1 4.42Å; Y35-I39 HydrophobicContact CE1-CD1 3.66Å; Y35-I39 HydrophobicContact CE2-CD1 3.26Å; Y35-I39 HydrophobicContact CE2-CG1 4.08Å; Y35-I39 HydrophobicContact CG-CD1 4.34Å; Y35-I39 WeakPolarHBondContact O-CG1 3.48Å; Y35-I39 PolarHBondContact O-N 3.11Å; Y35-I39 VanDerWaalsContact OH-CD1 3.29Å; Y35-I39 WeakPolarHBondContact OH-CD1 3.4Å; V36-I39 PolarHBondContact O-N 2.78Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 2.85Å; I39-A41 PolarHBondContact O-N 2.98Å; I39-S42 WeakPolarHBondContact CA-OG 3.46Å; I39-S42 CarbonylContact O-C 3.59Å; I39-S42 WeakPolarHBondContact O-CA 3.44Å; I39-S42 PolarHBondContact O-N 2.91Å; I39-S42 PolarHBondContact O-OG 2.84Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-T43 WeakPolarHBondContact O-CG2 3.06Å; I39-T43 PolarHBondContact O-N 2.91Å
40V96.2Very high92Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-59.3-36.5178.3178.40000111.7L15 V36 K37 T43 F44 L94 W98 L122L15-V40 HydrophobicContact CD2-CG2 4.15Å; V36-V40 WeakPolarHBondContact O-CG2 3.47Å; V36-V40 PolarHBondContact O-N 3.41Å; K37-V40 PolarHBondContact O-N 2.82Å; V40-T43 WeakPolarHBondContact CA-OG1 3.43Å; V40-T43 PolarHBondContact O-N 2.88Å; V40-T43 PolarHBondContact O-OG1 2.8Å; V40-F44 WeakPolarHBondContact O-CB 3.34Å; V40-F44 PolarHBondContact O-N 3.24Å; V40-L94 HydrophobicContact CG1-CD2 4.41Å; V40-W98 HydrophobicContact CG1-CB 4.08Å; V40-L122 HydrophobicContact CG2-CD1 4.22Å
41A96.4Very high93.4Very high19 Ų1940.1 Ų40.116%0.15721%0.214CC..Hα-helixtrans-64.9-42.417400000112.2K37 S38 I39 F44 I45 W98K37-A41 WeakPolarHBondContact O-CB 3.23Å; K37-A41 PolarHBondContact O-N 3.32Å; S38-A41 PolarHBondContact O-N 3.45Å; I39-A41 PolarHBondContact O-N 2.98Å; A41-F44 PolarHBondContact O-N 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.29Å; A41-I45 PolarHBondContact O-N 3.44Å; A41-W98 HydrophobicContact CB-CD2 4.23Å; A41-W98 HydrophobicContact CB-CG 4.23Å; A41-W98 HydrophobicContact CB-CZ2 4.43Å
42S95.7Very high93.9Very high51 Ų5139.5 Ų39.536%0.35721%0.207SC..Hα-helixtrans-66.8-39.617670.70000112.2S38 I39 F44 I45 I46S38-S42 PolarHBondContact O-N 2.82Å; S38-S42 PolarHBondContact O-OG 3.03Å; I39-S42 WeakPolarHBondContact CA-OG 3.46Å; I39-S42 CarbonylContact O-C 3.59Å; I39-S42 WeakPolarHBondContact O-CA 3.44Å; I39-S42 PolarHBondContact O-N 2.91Å; I39-S42 PolarHBondContact O-OG 2.84Å; S42-F44 VanDerWaalsContact C-N 3.31Å; S42-F44 PolarHBondContact O-N 3.44Å; S42-I45 PolarHBondContact O-N 2.88Å; S42-I45 VanDerWaalsContact O-N 3.15Å; S42-I46 WeakPolarHBondContact O-CD1 3.27Å; S42-I46 VanDerWaalsContact O-CG1 3.3Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.2Å
43T96.2Very high94Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-66.8-34.7178.768.40000111.6S14 L15 I39 V40 I46 S47 L94S14-T43 WeakPolarHBondContact OG-CG2 3.45Å; L15-T43 HydrophobicContact CD2-CG2 3.7Å; L15-T43 HydrophobicContact CG-CG2 3.96Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-T43 WeakPolarHBondContact O-CG2 3.06Å; I39-T43 PolarHBondContact O-N 2.91Å; V40-T43 WeakPolarHBondContact CA-OG1 3.43Å; V40-T43 PolarHBondContact O-N 2.88Å; V40-T43 PolarHBondContact O-OG1 2.8Å; T43-I46 PolarHBondContact O-N 3.42Å; T43-S47 WeakPolarHBondContact O-CB 3.39Å; T43-S47 PolarHBondContact O-N 3.46Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.26Å
44F96.4Very high93.9Very high31 Ų3141.3 Ų41.314%0.13622%0.216CC..Hα-helixtrans-59.9-47170169-106.1000111.8V40 A41 S42 I46 S47 L48 P91 L94 F95V40-F44 WeakPolarHBondContact O-CB 3.34Å; V40-F44 PolarHBondContact O-N 3.24Å; A41-F44 PolarHBondContact O-N 3.3Å; S42-F44 VanDerWaalsContact C-N 3.31Å; S42-F44 PolarHBondContact O-N 3.44Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.34Å; F44-S47 PolarHBondContact O-N 3.16Å; F44-S47 PolarHBondContact O-OG 3.19Å; F44-L48 HydrophobicContact CE1-CD1 3.88Å; F44-L48 HydrophobicContact CE1-CG 4.49Å; F44-L48 HydrophobicContact CE2-CD1 4.48Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.06Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 3Å; F44-P91 HydrophobicContact CD2-CB 4.29Å; F44-P91 WeakPolarHBondContact CD2-O 3.44Å; F44-P91 HydrophobicContact CE2-CB 4.03Å; F44-L94 HydrophobicContact CB-CB 3.98Å; F44-L94 HydrophobicContact CD2-CB 4.22Å; F44-F95 HydrophobicContact CD2-CB 3.95Å; F44-F95 HydrophobicContact CD2-CD2 4.5Å; F44-F95 AromaticContact CE1-CD2 4Å; F44-F95 HydrophobicContact CE1-CD2 4Å; F44-F95 HydrophobicContact CE2-CB 3.72Å; F44-F95 AromaticContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CG 4.27Å; F44-F95 HydrophobicContact CZ-CB 4.33Å; F44-F95 AromaticContact CZ-CD2 3.64Å; F44-F95 HydrophobicContact CZ-CD2 3.64Å; F44-F95 HydrophobicContact CZ-CE2 4.43Å; F44-F95 HydrophobicContact CZ-CG 4.41Å
45I95.6Very high93.7Very high117 Ų11738.8 Ų38.860%0.621%0.206SC*.Hα-helixtrans-62.4-41.6178.6-65.1166.8000110.6A41 S42 S47 L48A41-I45 WeakPolarHBondContact O-CG1 3.29Å; A41-I45 PolarHBondContact O-N 3.44Å; S42-I45 PolarHBondContact O-N 2.88Å; S42-I45 VanDerWaalsContact O-N 3.15Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.46Å; I45-L48 PolarHBondContact O-N 3.19Å
46I94.8Very high93.6Very high40 Ų4039.4 Ų39.421%0.20522%0.222CC..Hα-helixtrans-63.8-38.5177.1-64.5154.1000111M7 L10 T11 S42 T43 F44 L48 F49 P50M7-I46 HydrophobicContact SD-CG2 4.24Å; L10-I46 HydrophobicContact CD2-CB 4.31Å; L10-I46 HydrophobicContact CD2-CD1 3.33Å; L10-I46 HydrophobicContact CD2-CG1 3.95Å; L10-I46 HydrophobicContact CD2-CG2 3.55Å; T11-I46 HydrophobicContact CG2-CB 4.19Å; T11-I46 HydrophobicContact CG2-CG2 3.61Å; S42-I46 WeakPolarHBondContact O-CD1 3.27Å; S42-I46 VanDerWaalsContact O-CG1 3.3Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 3.2Å; T43-I46 PolarHBondContact O-N 3.42Å; F44-I46 VanDerWaalsContact C-N 3.3Å; F44-I46 PolarHBondContact O-N 3.34Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 PolarHBondContact O-N 3.33Å; I46-F49 WeakPolarHBondContact O-CB 3.31Å; I46-F49 PolarHBondContact O-N 3.09Å; I46-P50 WeakPolarHBondContact O-CD 3.31Å
47S95.4Very high93.3Very high1 Ų143.7 Ų43.71%0.00724%0.244CC..Hα-helixtrans-72.4-17.5-179.174.50000114.3T43 F44 I45 F49 P50 T51T43-S47 WeakPolarHBondContact O-CB 3.39Å; T43-S47 PolarHBondContact O-N 3.46Å; F44-S47 PolarHBondContact O-N 3.16Å; F44-S47 PolarHBondContact O-OG 3.19Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.46Å; S47-F49 PolarHBondContact O-N 2.99Å; S47-P50 VanDerWaalsContact O-CD 3.26Å; S47-P50 WeakPolarHBondContact O-CD 3.4Å; S47-P50 WeakPolarHBondContact O-CG 3.48Å; S47-T51 WeakPolarHBondContact O-CG2 3.47Å; S47-T51 PolarHBondContact O-N 3.08Å; S47-T51 PolarHBondContact O-OG1 3.18Å
48L93.6Very high93Very high70 Ų7046 Ų4637%0.36626%0.258SS..Hα-helixtrans-66.6-27170.5-67.6174.9000112.6F44 I45 I46 T51 T52 P91F44-L48 HydrophobicContact CE1-CD1 3.88Å; F44-L48 HydrophobicContact CE1-CG 4.49Å; F44-L48 HydrophobicContact CE2-CD1 4.48Å; F44-L48 HydrophobicContact CE2-CD2 4.1Å; F44-L48 HydrophobicContact CE2-CG 4.3Å; F44-L48 HydrophobicContact CZ-CD1 3.84Å; F44-L48 HydrophobicContact CZ-CD2 4.06Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 PolarHBondContact O-N 3Å; I45-L48 PolarHBondContact O-N 3.19Å; I46-L48 VanDerWaalsContact C-N 3.28Å; I46-L48 PolarHBondContact O-N 3.33Å; L48-T51 VanDerWaalsContact C-OG1 3.3Å; L48-T51 VanDerWaalsContact CA-OG1 3.23Å; L48-T51 WeakPolarHBondContact CA-OG1 3.21Å; L48-T51 PolarHBondContact O-OG1 3.08Å; L48-T52 WeakPolarHBondContact O-CB 3.31Å; L48-T52 VanDerWaalsContact O-CG2 3.27Å; L48-T52 WeakPolarHBondContact O-CG2 3.38Å; L48-T52 PolarHBondContact O-N 3.41Å; L48-T52 PolarHBondContact O-OG1 2.98Å; L48-P91 HydrophobicContact CD2-CB 4.22Å
49F92.3Very high92.6Very high64 Ų6446.4 Ų46.428%0.28125%0.253SS..Hα-helixtrans-67.1-54.1178.7-168-87.2000113.8M3 M7 I46 S47 T51 T52 M53M3-F49 HydrophobicContact CE-CD1 4.37Å; M3-F49 HydrophobicContact CE-CD2 4.43Å; M3-F49 HydrophobicContact CE-CE1 3.54Å; M3-F49 HydrophobicContact CE-CE2 3.62Å; M3-F49 HydrophobicContact CE-CZ 3.11Å; M3-F49 HydrophobicContact CG-CE1 3.66Å; M3-F49 HydrophobicContact CG-CZ 4.12Å; M3-F49 HydrophobicContact SD-CE1 3.47Å; M3-F49 WeakPolarHBondContact SD-CE1 3.23Å; M3-F49 HydrophobicContact SD-CE2 4.32Å; M3-F49 HydrophobicContact SD-CZ 3.27Å; M3-F49 WeakPolarHBondContact SD-CZ 3.35Å; M7-F49 HydrophobicContact CB-CD1 4.17Å; M7-F49 HydrophobicContact CG-CB 4.48Å; M7-F49 HydrophobicContact CG-CD1 3.65Å; M7-F49 HydrophobicContact CG-CE1 4.32Å; M7-F49 HydrophobicContact CG-CG 4.25Å; I46-F49 WeakPolarHBondContact O-CB 3.31Å; I46-F49 PolarHBondContact O-N 3.09Å; S47-F49 PolarHBondContact O-N 2.99Å; F49-T51 VanDerWaalsContact C-N 3.26Å; F49-T51 PolarHBondContact O-N 3.16Å; F49-T52 PolarHBondContact O-N 3.41Å; F49-T52 PolarHBondContact O-OG1 3.39Å; F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.37Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.25Å; F49-M53 WeakPolarHBondContact O-CG 3.47Å; F49-M53 PolarHBondContact O-N 3.15Å; F49-M53 VanDerWaalsContact O-N 3.08Å
50P91.3Very high92.3Very high4 Ų450.9 Ų50.93%0.02627%0.274CS..Hα-helixtrans-64.5-31.9177.426.4-34.7000112.1T8 I46 S47 M53 F54 M87T8-P50 HydrophobicContact CG2-CB 3.51Å; T8-P50 HydrophobicContact CG2-CG 3.88Å; I46-P50 WeakPolarHBondContact O-CD 3.31Å; S47-P50 VanDerWaalsContact O-CD 3.26Å; S47-P50 WeakPolarHBondContact O-CD 3.4Å; S47-P50 WeakPolarHBondContact O-CG 3.48Å; P50-M53 PolarHBondContact O-N 3.22Å; P50-F54 WeakPolarHBondContact O-CB 3.28Å; P50-F54 PolarHBondContact O-N 3.19Å; P50-M87 HydrophobicContact CB-CE 4.21Å; P50-M87 HydrophobicContact CB-SD 3.97Å
51T91.6Very high92Very high13 Ų1351.8 Ų51.88%0.0828%0.279CS..Hα-helixtrans-68.8-43.6175.950.10000113.5S47 L48 F49 M53 F54 M55 M87 P91S47-T51 WeakPolarHBondContact O-CG2 3.47Å; S47-T51 PolarHBondContact O-N 3.08Å; S47-T51 PolarHBondContact O-OG1 3.18Å; L48-T51 VanDerWaalsContact C-OG1 3.3Å; L48-T51 VanDerWaalsContact CA-OG1 3.23Å; L48-T51 WeakPolarHBondContact CA-OG1 3.21Å; L48-T51 PolarHBondContact O-OG1 3.08Å; F49-T51 VanDerWaalsContact C-N 3.26Å; F49-T51 PolarHBondContact O-N 3.16Å; T51-M53 VanDerWaalsContact C-N 3.3Å; T51-M53 PolarHBondContact O-N 2.92Å; T51-F54 WeakPolarHBondContact O-CB 3.27Å; T51-F54 PolarHBondContact O-N 3.44Å; T51-M55 WeakPolarHBondContact O-CG 3.48Å; T51-M55 PolarHBondContact O-N 3.48Å; T51-M87 HydrophobicContact CG2-CB 4.16Å; T51-M87 WeakPolarHBondContact CG2-O 3.48Å; T51-M87 HydrophobicContact CG2-SD 4.15Å; T51-P91 HydrophobicContact CG2-CG 3.39Å
52T90.8Very high91.7Very high74 Ų7454.9 Ų54.945%0.45429%0.292SS..Hα-helixtrans-62.9-38.6174.748.70000112L48 F49 M55 C56L48-T52 WeakPolarHBondContact O-CB 3.31Å; L48-T52 VanDerWaalsContact O-CG2 3.27Å; L48-T52 WeakPolarHBondContact O-CG2 3.38Å; L48-T52 PolarHBondContact O-N 3.41Å; L48-T52 PolarHBondContact O-OG1 2.98Å; F49-T52 PolarHBondContact O-N 3.41Å; F49-T52 PolarHBondContact O-OG1 3.39Å; T52-M55 PolarHBondContact O-N 3.03Å; T52-C56 PolarHBondContact O-N 2.96Å; T52-C56 VanDerWaalsContact O-N 3.15Å; T52-C56 PolarHBondContact O-SG 3.14Å
53M90.4Very high91.5Very high55 Ų5553 Ų5327%0.27128%0.278SS..Hα-helixtrans-62.6-43172.8-73.3-68.9-69.100112.3F49 P50 T51 C56 L57F49-M53 HydrophobicContact CD1-CG 4.16Å; F49-M53 HydrophobicContact CE1-CG 3.65Å; F49-M53 HydrophobicContact CE1-SD 4.37Å; F49-M53 HydrophobicContact CZ-CG 4.01Å; F49-M53 HydrophobicContact CZ-SD 4.25Å; F49-M53 WeakPolarHBondContact O-CG 3.47Å; F49-M53 PolarHBondContact O-N 3.15Å; F49-M53 VanDerWaalsContact O-N 3.08Å; P50-M53 PolarHBondContact O-N 3.22Å; T51-M53 VanDerWaalsContact C-N 3.3Å; T51-M53 PolarHBondContact O-N 2.92Å; M53-C56 PolarHBondContact O-N 3.35Å; M53-L57 HydrophobicContact CE-CD1 3.84Å; M53-L57 PolarHBondContact O-N 3.43Å; M53-L57 VanDerWaalsContact O-N 3.17Å
54F90.3Very high91.2Very high8 Ų856.9 Ų56.94%0.03531%0.305CS..Hα-helixtrans-59.2-49.3174.6175.1-94.5000110.8P50 T51 C56 L57 D58 E60 Y84 M87P50-F54 WeakPolarHBondContact O-CB 3.28Å; P50-F54 PolarHBondContact O-N 3.19Å; T51-F54 WeakPolarHBondContact O-CB 3.27Å; T51-F54 PolarHBondContact O-N 3.44Å; F54-C56 PolarHBondContact O-N 3.13Å; F54-L57 PolarHBondContact O-N 2.77Å; F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.43Å; F54-D58 PolarHBondContact O-N 3.45Å; F54-E60 HydrophobicContact CE2-CG 4.24Å; F54-Y84 AromaticContact CE1-CD2 3.86Å; F54-Y84 HydrophobicContact CE1-CD2 3.86Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.08Å; F54-Y84 HydrophobicContact CZ-CG 4.45Å; F54-M87 HydrophobicContact CB-CB 4.33Å; F54-M87 HydrophobicContact CB-CG 3.9Å; F54-M87 HydrophobicContact CB-SD 4.32Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.36Å; F54-M87 HydrophobicContact CD2-CG 4.03Å; F54-M87 HydrophobicContact CG-CB 4.05Å; F54-M87 HydrophobicContact CG-CG 3.81Å
55M89Confident90.8Very high54 Ų5460.6 Ų60.627%0.26633%0.327SS..Hα-helixtrans-60.6-27.7179.4-62.2-78.6-151.800114.1T51 T52 M88 N471T51-M55 WeakPolarHBondContact O-CG 3.48Å; T51-M55 PolarHBondContact O-N 3.48Å; T52-M55 PolarHBondContact O-N 3.03Å; M55-M88 HydrophobicContact CE-CE 3.08Å; M55-M88 HydrophobicContact CE-SD 3.36Å; M55-M88 WeakPolarHBondContact CE-SD 3.45Å; M55-M88 HydrophobicContact SD-CE 3.23Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å; M55-M88 HydrophobicContact SD-SD 4.27Å; M55-N471 HydrophobicContact CE-CB 3.7Å; M55-N471 HydrophobicContact SD-CB 3.7Å
56C89.1Confident90.5Very high103 Ų10362.1 Ų62.170%0.69633%0.325SS*.Hα-helixtrans-87.1-28.8-178.7-65.10000113.3T52 M53 F54T52-C56 PolarHBondContact O-N 2.96Å; T52-C56 VanDerWaalsContact O-N 3.15Å; T52-C56 PolarHBondContact O-SG 3.14Å; M53-C56 PolarHBondContact O-N 3.35Å; F54-C56 PolarHBondContact O-N 3.13Å
57L88.9Confident90.4Very high90 Ų9064.7 Ų64.747%0.47134%0.336SS..Hα-helixtrans-121.5-11.4-168.2-63.8173.6000113.7M53 F54 Q59M53-L57 HydrophobicContact CE-CD1 3.84Å; M53-L57 PolarHBondContact O-N 3.43Å; M53-L57 VanDerWaalsContact O-N 3.17Å; F54-L57 PolarHBondContact O-N 2.77Å; L57-Q59 HydrophobicContact CB-CB 4.39Å; L57-Q59 HydrophobicContact CB-CG 3.95Å; L57-Q59 PolarHBondContact O-N 2.89Å; L57-Q59 VanDerWaalsContact O-N 3.1Å
58D88.3Confident90.3Very high88 Ų8870.7 Ų70.747%0.47136%0.358SS..  trans47.934.5-173.3-65.6-28000113.3F54F54-D58 VanDerWaalsContact O-CA 3.31Å; F54-D58 WeakPolarHBondContact O-CA 3.43Å; F54-D58 PolarHBondContact O-N 3.45Å
59Q86.2Confident90.3Very high73 Ų7369.1 Ų69.134%0.34136%0.356SS..  trans-89.9113.3-178.2-76.5179.8-2.100111.6M1 L57M1-Q59 HydrophobicContact CE-CB 4.49Å; M1-Q59 HydrophobicContact CE-CG 4.3Å; M1-Q59 VanDerWaalsContact CE-OE1 3.26Å; L57-Q59 HydrophobicContact CB-CB 4.39Å; L57-Q59 HydrophobicContact CB-CG 3.95Å; L57-Q59 PolarHBondContact O-N 2.89Å; L57-Q59 VanDerWaalsContact O-N 3.1Å
60E89.8Confident90.3Very high114 Ų11470.1 Ų70.153%0.53337%0.367SS..  trans-83.4139.2167.4-56.2-166.7162.700111F54 L82 D83F54-E60 HydrophobicContact CE2-CG 4.24Å; E60-L82 WeakPolarHBondContact CA-O 3.3Å; E60-D83 HydrophobicContact CG-CB 4.19Å
61V89.2Confident90.3Very high18 Ų1873.5 Ų73.511%0.10939%0.388CS..EExtended strand (participates in β ladder)trans-129141.7-179.7-177.10000110.4M1 T5 I63 L82M1-V61 HydrophobicContact SD-CG2 4.04Å; T5-V61 HydrophobicContact CG2-CG1 3.92Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; V61-L82 HydrophobicContact CB-CB 4.43Å; V61-L82 PolarHBondContact N-O 3.49Å; V61-L82 WeakPolarHBondContact O-CA 3.35Å; V61-L82 VanDerWaalsContact O-CB 3.25Å; V61-L82 WeakPolarHBondContact O-CB 3.49Å; V61-L82 PolarHBondContact O-N 3.3Å
62I91.9Very high90.3Very high85 Ų8582.3 Ų82.344%0.43643%0.428SS..EExtended strand (participates in β ladder)trans-114.8126.2170.3-55.2159.3000107.4F80I62-F80 WeakPolarHBondContact CA-O 3.27Å
63I91.6Very high90.2Very high10 Ų1083.4 Ų83.45%0.05144%0.435CS..EExtended strand (participates in β ladder)trans-112101.5-179.2-57.8179.7000108.6T5 T8 T9 V61 N65 S79 F80 L82T5-I63 HydrophobicContact CG2-CD1 3.79Å; T5-I63 HydrophobicContact CG2-CG1 3.99Å; T8-I63 WeakPolarHBondContact OG1-CD1 3.44Å; T9-I63 HydrophobicContact CG2-CD1 4.35Å; V61-I63 HydrophobicContact CG1-CG1 4.01Å; I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.46Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.15Å; I63-S79 CarbonylContact O-C 3.33Å; I63-S79 WeakPolarHBondContact O-CA 3.17Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 3.14Å; I63-F80 PolarHBondContact O-N 3.09Å; I63-L82 HydrophobicContact CD1-CD1 3.36Å; I63-L82 HydrophobicContact CG1-CD1 3.89Å
64S89.8Confident90.1Very high83 Ų8381.6 Ų81.658%0.5843%0.427SS*.EExtended strand (participates in β ladder)trans-98.888.1172.257.60000110.1
65N86.5Confident90.1Very high108 Ų10887.8 Ų87.858%0.57846%0.456SS*.EExtended strand (participates in β ladder)trans-88.4-40.8-171.4-79.5-11.1000113.7I63 L78I63-N65 HydrophobicContact CG2-CB 4.46Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.46Å; I63-N65 WeakPolarHBondContact CG2-OD1 3.15Å; N65-L78 PolarHBondContact N-O 3.01Å
66W90.4Very high90.2Very high150 Ų15086 Ų8657%0.56845%0.448SS*.EExtended strand (participates in β ladder)trans-125.8115.6-171.7-170.745.7000110.8W68 S77 L78W66-W68 AromaticContact CH2-CD1 3.76Å; W66-W68 AromaticContact CZ3-CD1 3.67Å; W66-W68 HydrophobicContact CZ3-CG 4.41Å; W66-W68 PolarHBondContact O-N 3.46Å; W66-S77 CarbonylContact O-C 3.24Å; W66-S77 VanDerWaalsContact O-CA 3.25Å; W66-S77 WeakPolarHBondContact O-CA 3.26Å; W66-S77 WeakPolarHBondContact O-CB 3.11Å; W66-L78 HydrophobicContact CB-CB 4.31Å; W66-L78 HydrophobicContact CB-CD1 4.42Å; W66-L78 HydrophobicContact CD2-CD1 4.47Å; W66-L78 HydrophobicContact CE3-CD1 3.49Å; W66-L78 VanDerWaalsContact CE3-CD1 3.49Å; W66-L78 HydrophobicContact CE3-CG 3.94Å; W66-L78 HydrophobicContact CZ3-CD1 4.16Å; W66-L78 PolarHBondContact O-N 2.93Å
67H93Very high90.4Very high94 Ų9482.6 Ų82.644%0.43542%0.424SS..EExtended strand (participates in β ladder)trans-72.3113.8168.6-179.9-73.7000108.9A69 T70H67-A69 VanDerWaalsContact CE1-C 3.47Å; H67-T70 VanDerWaalsContact CE1-CG2 3.4Å; H67-T70 WeakPolarHBondContact CE1-CG2 3Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.49Å
68W92.2Very high90.5Very high126 Ų12681.2 Ų81.248%0.47742%0.417SS..EExtended strand (participates in β ladder)trans-86-56.4-175.3-174.441.4000111.8W66 L76 F138W66-W68 AromaticContact CH2-CD1 3.76Å; W66-W68 AromaticContact CZ3-CD1 3.67Å; W66-W68 HydrophobicContact CZ3-CG 4.41Å; W66-W68 PolarHBondContact O-N 3.46Å; W68-L76 WeakPolarHBondContact CA-O 3.34Å; W68-L76 WeakPolarHBondContact CB-O 3.16Å; W68-L76 HydrophobicContact CE3-CB 4.01Å; W68-L76 HydrophobicContact CE3-CD1 4.05Å; W68-L76 HydrophobicContact CZ3-CD1 4.01Å; W68-L76 PolarHBondContact N-O 3.39Å; W68-F138 HydrophobicContact CE3-CD1 4.41Å; W68-F138 HydrophobicContact CE3-CE1 4.01Å; W68-F138 HydrophobicContact CH2-CD1 4.49Å; 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 3.59Å; W68-F138 HydrophobicContact CH2-CZ 3.59Å; W68-F138 AromaticContact CZ3-CD1 3.76Å; W68-F138 HydrophobicContact CZ3-CD1 3.76Å; W68-F138 AromaticContact CZ3-CE1 3.06Å; W68-F138 HydrophobicContact CZ3-CE1 3.06Å; W68-F138 AromaticContact CZ3-CZ 3.59Å; W68-F138 HydrophobicContact CZ3-CZ 3.59Å
69A93.4Very high90.8Very high38 Ų3877.2 Ų77.231%0.31440%0.396SS..EExtended strand (participates in β ladder)trans-158.9147.7179.400000111.7H67 L76H67-A69 VanDerWaalsContact CE1-C 3.47Å; A69-L76 PolarHBondContact N-O 2.99Å; A69-L76 VanDerWaalsContact N-O 3.11Å; A69-L76 WeakPolarHBondContact O-CA 3.11Å; A69-L76 WeakPolarHBondContact O-CB 3.24Å; A69-L76 PolarHBondContact O-N 3.25Å
70T93.8Very high91.1Very high85 Ų8575.3 Ų75.352%0.52139%0.387SS..EExtended strand (participates in β ladder)trans-106.9118.2168.245.70000109.8H67 Q75H67-T70 VanDerWaalsContact CE1-CG2 3.4Å; H67-T70 WeakPolarHBondContact CE1-CG2 3Å; H67-T70 WeakPolarHBondContact NE2-CG2 3.49Å; T70-Q75 HydrophobicContact CG2-CB 4.49Å; T70-Q75 HydrophobicContact CG2-CG 3.9Å
71T90.9Very high91.2Very high74 Ų7471.6 Ų71.645%0.45437%0.369SS..EExtended strand (participates in β ladder)trans-106.798.6171.741.30000109.6T73 T74T71-T73 PolarHBondContact O-N 2.83Å; T71-T74 PolarHBondContact N-O 3.46Å; T71-T74 PolarHBondContact O-N 2.69Å; T71-T74 PolarHBondContact O-OG1 3Å; T71-T74 VanDerWaalsContact O-OG1 3.09Å; T71-T74 PolarHBondContact OG1-OG1 2.92Å
72Q91Very high91.4Very high199 Ų19970.9 Ų70.993%0.9336%0.364SS*.THydrogen-bonded Turntrans53.7-93.6-175.5-61.2176.8-12.100112.6
73T89.1Confident91.4Very high96 Ų9667 Ų6759%0.58935%0.345SS*.THydrogen-bonded Turntrans-104.4-13-176.550.10000113.3T71 N194T71-T73 PolarHBondContact O-N 2.83Å; T73-N194 WeakPolarHBondContact CB-ND2 3.35Å; T73-N194 PolarHBondContact OG1-ND2 3.26Å; T73-N194 PolarHBondContact OG1-OD1 3.06Å
74T87.8Confident91.4Very high17 Ų1767.2 Ų67.210%0.10435%0.345CS..EExtended strand (participates in β ladder)trans-98.3123.9-179.957.20000111.4T71 I190 N194T71-T74 PolarHBondContact N-O 3.46Å; T71-T74 PolarHBondContact O-N 2.69Å; T71-T74 PolarHBondContact O-OG1 3Å; T71-T74 VanDerWaalsContact O-OG1 3.09Å; T71-T74 PolarHBondContact OG1-OG1 2.92Å; T74-I190 HydrophobicContact CG2-CD1 3.49Å; T74-I190 VanDerWaalsContact CG2-CD1 3.49Å; T74-N194 VanDerWaalsContact CG2-O 3.23Å; T74-N194 WeakPolarHBondContact CG2-O 3.38Å; T74-N194 VanDerWaalsContact CG2-OD1 3.27Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.46Å
75Q89.6Confident91.6Very high138 Ų13864.3 Ų64.365%0.64532%0.322SS*.EExtended strand (participates in β ladder)trans-97.4115.9176.3-61.6-172-15.500109.5T70T70-Q75 HydrophobicContact CG2-CB 4.49Å; T70-Q75 HydrophobicContact CG2-CG 3.9Å
76L91.9Very high92Very high18 Ų1859.2 Ų59.29%0.09429%0.294CS..EExtended strand (participates in β ladder)trans-94.2114.9174.2-56.3-179.1000109.1W68 A69 W196W68-L76 WeakPolarHBondContact CA-O 3.34Å; W68-L76 WeakPolarHBondContact CB-O 3.16Å; W68-L76 HydrophobicContact CE3-CB 4.01Å; W68-L76 HydrophobicContact CE3-CD1 4.05Å; W68-L76 HydrophobicContact CZ3-CD1 4.01Å; W68-L76 PolarHBondContact N-O 3.39Å; A69-L76 PolarHBondContact N-O 2.99Å; A69-L76 VanDerWaalsContact N-O 3.11Å; A69-L76 WeakPolarHBondContact O-CA 3.11Å; A69-L76 WeakPolarHBondContact O-CB 3.24Å; A69-L76 PolarHBondContact O-N 3.25Å; L76-W196 HydrophobicContact CD1-CH2 4.5Å; L76-W196 HydrophobicContact CD1-CZ3 3.79Å; L76-W196 HydrophobicContact CD2-CD2 4.35Å; L76-W196 HydrophobicContact CD2-CE3 3.22Å; L76-W196 HydrophobicContact CD2-CH2 4.34Å; L76-W196 HydrophobicContact CD2-CZ3 3.23Å; L76-W196 HydrophobicContact CG-CZ3 4.15Å
77S92.8Very high92.1Very high30 Ų3052.1 Ų52.121%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-121.2154.7172.459.60000110.8W66 S79 N136W66-S77 CarbonylContact O-C 3.24Å; W66-S77 VanDerWaalsContact O-CA 3.25Å; W66-S77 WeakPolarHBondContact O-CA 3.26Å; W66-S77 WeakPolarHBondContact O-CB 3.11Å; S77-S79 PolarHBondContact O-N 3.41Å; S77-N136 PolarHBondContact O-ND2 3.24Å
78L92.4Very high92.1Very high62 Ų6248.3 Ų48.333%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-76.4105.7161.2-73.2-176000108.1N65 W66N65-L78 PolarHBondContact N-O 3.01Å; W66-L78 HydrophobicContact CB-CB 4.31Å; W66-L78 HydrophobicContact CB-CD1 4.42Å; W66-L78 HydrophobicContact CD2-CD1 4.47Å; W66-L78 HydrophobicContact CE3-CD1 3.49Å; W66-L78 VanDerWaalsContact CE3-CD1 3.49Å; W66-L78 HydrophobicContact CE3-CG 3.94Å; W66-L78 HydrophobicContact CZ3-CD1 4.16Å; W66-L78 PolarHBondContact O-N 2.93Å
79S93.1Very high92.2Very high3 Ų342.3 Ų42.32%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-124.1118.9-172.654.40000110.1I63 S77 N135 N136 Q139I63-S79 CarbonylContact O-C 3.33Å; I63-S79 WeakPolarHBondContact O-CA 3.17Å; S77-S79 PolarHBondContact O-N 3.41Å; S79-N135 WeakPolarHBondContact O-CB 3.26Å; S79-N135 PolarHBondContact O-N 2.71Å; S79-N135 WeakPolarHBondContact OG-CB 3.35Å; S79-N136 PolarHBondContact OG-ND2 3.48Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.23Å; S79-Q139 PolarHBondContact O-OE1 3.13Å; S79-Q139 VanDerWaalsContact O-OE1 3.11Å
80F93.1Very high92.3Very high34 Ų3440.9 Ų40.915%0.14922%0.215CC..EExtended strand (participates in β ladder)trans-100.2118.3177.2-60.1-71.6000110L12 I62 I63 T133L12-F80 HydrophobicContact CD1-CD1 3.81Å; L12-F80 HydrophobicContact CD1-CD2 4.35Å; L12-F80 HydrophobicContact CD1-CE1 3.71Å; L12-F80 HydrophobicContact CD1-CE2 4.28Å; L12-F80 HydrophobicContact CD1-CG 4.12Å; L12-F80 HydrophobicContact CD1-CZ 3.97Å; I62-F80 WeakPolarHBondContact CA-O 3.27Å; I63-F80 HydrophobicContact CB-CB 4.39Å; I63-F80 PolarHBondContact N-O 3.14Å; I63-F80 PolarHBondContact O-N 3.09Å; F80-T133 CarbonylContact C-O 3.59Å; F80-T133 VanDerWaalsContact CA-O 3.22Å; F80-T133 WeakPolarHBondContact CA-O 3.49Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.46Å
81K92.9Very high92.4Very high36 Ų3637.4 Ų37.416%0.15719%0.193CC..EExtended strand (participates in β ladder)trans-89.8115.5171.9-177.3172.1177.5178.80109.2D83 S86 T133 N135K81-D83 WeakPolarHBondContact CE-OD2 3.45Å; K81-D83 HydrophobicContact CG-CB 4.25Å; K81-D83 IonicContact NZ-OD2 2.67Å; K81-S86 PolarHBondContact O-OG 3.27Å; K81-S86 VanDerWaalsContact O-OG 3.12Å; K81-T133 PolarHBondContact N-O 2.97Å; K81-N135 HydrophobicContact CB-CB 3.86Å
82L92.6Very high92.7Very high2 Ų234.4 Ų34.41%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-109.476.8-178.5-66.2168.3000109.4T8 E60 V61 I63 S86 M87T8-L82 HydrophobicContact CG2-CD1 3.67Å; T8-L82 HydrophobicContact CG2-CD2 3.95Å; T8-L82 HydrophobicContact CG2-CG 4.42Å; T8-L82 WeakPolarHBondContact OG1-CD1 3.47Å; E60-L82 WeakPolarHBondContact CA-O 3.3Å; V61-L82 HydrophobicContact CB-CB 4.43Å; V61-L82 PolarHBondContact N-O 3.49Å; V61-L82 WeakPolarHBondContact O-CA 3.35Å; V61-L82 VanDerWaalsContact O-CB 3.25Å; V61-L82 WeakPolarHBondContact O-CB 3.49Å; V61-L82 PolarHBondContact O-N 3.3Å; I63-L82 HydrophobicContact CD1-CD1 3.36Å; I63-L82 HydrophobicContact CG1-CD1 3.89Å; L82-S86 VanDerWaalsContact CA-OG 3.28Å; L82-S86 WeakPolarHBondContact CA-OG 3.49Å; L82-M87 HydrophobicContact CB-CE 3.48Å; L82-M87 VanDerWaalsContact CB-CE 3.48Å; L82-M87 HydrophobicContact CD1-CE 4.3Å; L82-M87 HydrophobicContact CD2-CE 3.63Å; L82-M87 HydrophobicContact CG-CE 3.97Å
83D92.3Very high92.9Very high4 Ų425 Ų252%0.02113%0.132CC..SBendtrans-109.5-177.4177.768.6-21000112.3E60 K81 F85 S86 M87 R262E60-D83 HydrophobicContact CG-CB 4.19Å; K81-D83 WeakPolarHBondContact CE-OD2 3.45Å; K81-D83 HydrophobicContact CG-CB 4.25Å; K81-D83 IonicContact NZ-OD2 2.67Å; D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 3.43Å; D83-F85 VanDerWaalsContact O-N 3.17Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.15Å; D83-S86 PolarHBondContact N-OG 3.44Å; D83-S86 PolarHBondContact O-N 3.44Å; D83-S86 VanDerWaalsContact O-N 3.16Å; D83-S86 PolarHBondContact O-OG 2.96Å; D83-S86 PolarHBondContact OD1-N 3.06Å; D83-S86 VanDerWaalsContact OD1-N 3.09Å; D83-S86 PolarHBondContact OD1-OG 3.48Å; D83-M87 WeakPolarHBondContact O-CB 3.28Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 2.83Å; D83-R262 IonicContact OD1-CZ 3.86Å; D83-R262 VanDerWaalsContact OD1-CZ 3.27Å; D83-R262 IonicContact OD1-NH1 2.71Å; D83-R262 PolarHBondContact OD1-NH1 2.98Å; D83-R262 IonicContact OD1-NH2 2.55Å; D83-R262 PolarHBondContact OD1-NH2 3.11Å; D83-R262 IonicContact OD2-CZ 3.12Å; D83-R262 IonicContact OD2-NH1 3.31Å; D83-R262 PolarHBondContact OD2-NH1 3.34Å; D83-R262 IonicContact OD2-NH2 2.87Å
84Y91.7Very high93.3Very high14 Ų1420.5 Ų20.56%0.05510%0.104CC..Hα-helixtrans-43-50.2175.6174-101.4000113.6F54 M88 H323 F326 I472F54-Y84 AromaticContact CE1-CD2 3.86Å; F54-Y84 HydrophobicContact CE1-CD2 3.86Å; F54-Y84 VanDerWaalsContact CZ-CA 3.49Å; F54-Y84 HydrophobicContact CZ-CD2 4.08Å; F54-Y84 HydrophobicContact CZ-CG 4.45Å; Y84-M88 HydrophobicContact CD2-CE 4.14Å; Y84-M88 HydrophobicContact CD2-CG 4.22Å; Y84-M88 HydrophobicContact CE2-CE 3.66Å; Y84-M88 HydrophobicContact CE2-CG 3.96Å; Y84-M88 WeakPolarHBondContact O-CB 3.33Å; Y84-M88 VanDerWaalsContact O-CG 3.29Å; Y84-M88 WeakPolarHBondContact O-CG 3.36Å; Y84-M88 PolarHBondContact O-N 3.01Å; Y84-M88 VanDerWaalsContact O-N 3.08Å; Y84-H323 AromaticContact CE1-CD2 3.95Å; Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CG 4.36Å; Y84-I472 HydrophobicContact CE2-CB 4.27Å; Y84-I472 HydrophobicContact CE2-CD1 4.47Å; Y84-I472 HydrophobicContact CE2-CG1 3.84Å; Y84-I472 HydrophobicContact CE2-CG2 3.61Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.49Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.29Å
85F93.8Very high93.7Very high23 Ų2321.2 Ų21.210%0.10111%0.106CC..Hα-helixtrans-65.6-45.2-176.1-58.8-55.7000112.6D83 F89 F258 I261 H323 F326D83-F85 VanDerWaalsContact C-N 3.26Å; D83-F85 PolarHBondContact O-N 3.43Å; D83-F85 VanDerWaalsContact O-N 3.17Å; D83-F85 WeakPolarHBondContact OD2-CD2 3.15Å; F85-F89 WeakPolarHBondContact O-CB 3.42Å; F85-F89 PolarHBondContact O-N 3.21Å; F85-F258 HydrophobicContact CB-CE2 3.92Å; F85-F258 HydrophobicContact CB-CZ 4.38Å; F85-I261 HydrophobicContact CD1-CG2 3.71Å; F85-I261 HydrophobicContact CD2-CG2 4.18Å; F85-I261 HydrophobicContact CE1-CG2 3.29Å; F85-I261 HydrophobicContact CE2-CG2 3.81Å; F85-I261 HydrophobicContact CG-CG2 4.15Å; F85-I261 HydrophobicContact CZ-CG2 3.35Å; F85-H323 AromaticContact CZ-NE2 3.97Å; F85-F326 HydrophobicContact CB-CD2 4.4Å; F85-F326 HydrophobicContact CB-CE2 4.05Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 4Å; F85-F326 AromaticContact CD1-CD1 3.92Å; F85-F326 HydrophobicContact CD1-CD1 3.92Å; F85-F326 AromaticContact CD1-CD2 3.62Å; F85-F326 HydrophobicContact CD1-CD2 3.62Å; F85-F326 HydrophobicContact CD1-CE1 4.31Å; F85-F326 HydrophobicContact CD1-CE2 4.06Å; F85-F326 AromaticContact CD1-CG 3.54Å; F85-F326 HydrophobicContact CD1-CG 3.54Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 3.97Å; F85-F326 HydrophobicContact CE1-CD1 4.44Å; F85-F326 HydrophobicContact CE1-CD2 4.42Å; F85-F326 HydrophobicContact CE1-CG 4.02Å; F85-F326 HydrophobicContact CG-CD2 4.43Å; F85-F326 WeakPolarHBondContact O-CE2 3.41Å; F85-F326 WeakPolarHBondContact O-CZ 3.3Å
86S93.7Very high94.1Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-70.4-43.3178.657.70000112.1K81 L82 D83 M88 F89 I90K81-S86 PolarHBondContact O-OG 3.27Å; K81-S86 VanDerWaalsContact O-OG 3.12Å; L82-S86 VanDerWaalsContact CA-OG 3.28Å; L82-S86 WeakPolarHBondContact CA-OG 3.49Å; D83-S86 PolarHBondContact N-OG 3.44Å; D83-S86 PolarHBondContact O-N 3.44Å; D83-S86 VanDerWaalsContact O-N 3.16Å; D83-S86 PolarHBondContact O-OG 2.96Å; D83-S86 PolarHBondContact OD1-N 3.06Å; D83-S86 VanDerWaalsContact OD1-N 3.09Å; D83-S86 PolarHBondContact OD1-OG 3.48Å; S86-M88 PolarHBondContact O-N 3.45Å; S86-F89 PolarHBondContact O-N 3.4Å; S86-I90 WeakPolarHBondContact O-CD1 3.38Å; S86-I90 WeakPolarHBondContact O-CG1 3.32Å; S86-I90 PolarHBondContact O-N 3.45Å
87M92.7Very high94.3Very high2 Ų213.9 Ų13.91%0.017%0.071CC..Hα-helixtrans-57.3-53.4-180-78.4-62.4152.700110.9H4 T8 P50 T51 F54 L82 D83 F89 P91H4-M87 WeakPolarHBondContact CE1-CE 3.47Å; H4-M87 WeakPolarHBondContact NE2-CE 3.3Å; T8-M87 HydrophobicContact CG2-CE 3.91Å; P50-M87 HydrophobicContact CB-CE 4.21Å; P50-M87 HydrophobicContact CB-SD 3.97Å; T51-M87 HydrophobicContact CG2-CB 4.16Å; T51-M87 WeakPolarHBondContact CG2-O 3.48Å; T51-M87 HydrophobicContact CG2-SD 4.15Å; F54-M87 HydrophobicContact CB-CB 4.33Å; F54-M87 HydrophobicContact CB-CG 3.9Å; F54-M87 HydrophobicContact CB-SD 4.32Å; F54-M87 HydrophobicContact CD1-CB 4.1Å; F54-M87 HydrophobicContact CD1-CG 4.36Å; F54-M87 HydrophobicContact CD2-CG 4.03Å; F54-M87 HydrophobicContact CG-CB 4.05Å; F54-M87 HydrophobicContact CG-CG 3.81Å; L82-M87 HydrophobicContact CB-CE 3.48Å; L82-M87 VanDerWaalsContact CB-CE 3.48Å; L82-M87 HydrophobicContact CD1-CE 4.3Å; L82-M87 HydrophobicContact CD2-CE 3.63Å; L82-M87 HydrophobicContact CG-CE 3.97Å; D83-M87 WeakPolarHBondContact O-CB 3.28Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 2.83Å; M87-F89 PolarHBondContact O-N 2.97Å; M87-P91 WeakPolarHBondContact O-CD 3.35Å
88M93.1Very high94.5Very high13 Ų1315 Ų156%0.0647%0.07CC..Hα-helixtrans-67.3-37.6-178.7-67.6-67.1-173.400113M55 Y84 S86 V92 F326 I472M55-M88 HydrophobicContact CE-CE 3.08Å; M55-M88 HydrophobicContact CE-SD 3.36Å; M55-M88 WeakPolarHBondContact CE-SD 3.45Å; M55-M88 HydrophobicContact SD-CE 3.23Å; M55-M88 WeakPolarHBondContact SD-CE 3.27Å; M55-M88 HydrophobicContact SD-SD 4.27Å; Y84-M88 HydrophobicContact CD2-CE 4.14Å; Y84-M88 HydrophobicContact CD2-CG 4.22Å; Y84-M88 HydrophobicContact CE2-CE 3.66Å; Y84-M88 HydrophobicContact CE2-CG 3.96Å; Y84-M88 WeakPolarHBondContact O-CB 3.33Å; Y84-M88 VanDerWaalsContact O-CG 3.29Å; Y84-M88 WeakPolarHBondContact O-CG 3.36Å; Y84-M88 PolarHBondContact O-N 3.01Å; Y84-M88 VanDerWaalsContact O-N 3.08Å; S86-M88 PolarHBondContact O-N 3.45Å; M88-V92 WeakPolarHBondContact O-CG2 3.5Å; M88-F326 HydrophobicContact CB-CE1 3.5Å; M88-F326 HydrophobicContact CB-CZ 3.71Å; M88-F326 HydrophobicContact CG-CE1 4.13Å; M88-I472 HydrophobicContact CE-CG1 3.66Å
89F95.1Very high94.7Very high0 Ų012 Ų120%06%0.055CC..Hα-helixtrans-76-36.1-172.9-174.8-89.6000113.2F85 S86 M87 V92 A93 M128 V132 S250 V254 F326 I329F85-F89 WeakPolarHBondContact O-CB 3.42Å; F85-F89 PolarHBondContact O-N 3.21Å; S86-F89 PolarHBondContact O-N 3.4Å; M87-F89 PolarHBondContact O-N 2.97Å; F89-V92 PolarHBondContact O-N 3.02Å; F89-A93 HydrophobicContact CD1-CB 4.1Å; F89-A93 HydrophobicContact CE1-CB 3.7Å; F89-A93 HydrophobicContact CZ-CB 4.23Å; F89-A93 WeakPolarHBondContact O-CB 3.43Å; F89-A93 PolarHBondContact O-N 3.37Å; F89-M128 HydrophobicContact CE1-CE 3.74Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.53Å; F89-V132 HydrophobicContact CB-CG1 4.11Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.56Å; F89-V132 HydrophobicContact CE1-CB 4.48Å; F89-V132 HydrophobicContact CE1-CG1 4.5Å; F89-V132 HydrophobicContact CE1-CG2 3.51Å; F89-V132 HydrophobicContact CG-CG1 4.2Å; F89-V132 HydrophobicContact CG-CG2 4.4Å; F89-V132 HydrophobicContact CZ-CG2 4.32Å; F89-S250 WeakPolarHBondContact CE2-O 3.4Å; F89-S250 WeakPolarHBondContact CZ-O 3.4Å; F89-V254 HydrophobicContact CE2-CG1 4.33Å; F89-F326 HydrophobicContact CB-CE2 4.02Å; F89-F326 HydrophobicContact CB-CZ 3.91Å; F89-F326 HydrophobicContact CD2-CE2 4.43Å; F89-I329 HydrophobicContact CD2-CG2 4.19Å; F89-I329 HydrophobicContact CE2-CG2 4.03Å
90I95.2Very high94.9Very high9 Ų911.9 Ų11.95%0.0465%0.054CC..Hα-helixtrans-57.7-51.3-176.4-68.4162.4000111.9S86 V92 A93 L94 L129 T133S86-I90 WeakPolarHBondContact O-CD1 3.38Å; S86-I90 WeakPolarHBondContact O-CG1 3.32Å; S86-I90 PolarHBondContact O-N 3.45Å; I90-V92 PolarHBondContact O-N 3.46Å; I90-A93 PolarHBondContact O-N 2.9Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.38Å; I90-L94 WeakPolarHBondContact O-CB 3.38Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.99Å; I90-L129 HydrophobicContact CB-CD2 4.27Å; I90-L129 HydrophobicContact CG1-CD2 3.9Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; I90-T133 HydrophobicContact CD1-CG2 3.61Å; I90-T133 HydrophobicContact CG1-CG2 4.31Å
91P95.6Very high95.1Very high12 Ų1210.3 Ų10.38%0.0785%0.047CC..Hα-helixtrans-64.2-37.2176.5-19.130000113F44 L48 T51 M87 L94 F95F44-P91 HydrophobicContact CD2-CB 4.29Å; F44-P91 WeakPolarHBondContact CD2-O 3.44Å; F44-P91 HydrophobicContact CE2-CB 4.03Å; L48-P91 HydrophobicContact CD2-CB 4.22Å; T51-P91 HydrophobicContact CG2-CG 3.39Å; M87-P91 WeakPolarHBondContact O-CD 3.35Å; P91-L94 PolarHBondContact O-N 3.32Å; P91-F95 WeakPolarHBondContact O-CB 3.29Å; P91-F95 PolarHBondContact O-N 3.33Å
92V96.4Very high95.3Very high10 Ų108.9 Ų8.96%0.0614%0.041CC..Hα-helixtrans-62.1-47.8177.7174.20000110.3M88 F89 I90 F95 V96 C330 A333 F334M88-V92 WeakPolarHBondContact O-CG2 3.5Å; F89-V92 PolarHBondContact O-N 3.02Å; I90-V92 PolarHBondContact O-N 3.46Å; V92-F95 PolarHBondContact O-N 3.37Å; V92-V96 WeakPolarHBondContact O-CG2 3.23Å; V92-V96 PolarHBondContact O-N 3Å; V92-C330 HydrophobicContact CG2-CB 4.34Å; V92-A333 HydrophobicContact CG1-CB 3.7Å; V92-F334 HydrophobicContact CG1-CE2 4.02Å; V92-F334 HydrophobicContact CG1-CZ 4.22Å; V92-F334 HydrophobicContact CG2-CE2 4.12Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å
93A96.3Very high95.5Very high3 Ų38.8 Ų8.83%0.0254%0.04CC..Hα-helixtrans-62.6-45.9177.100000111.9F89 I90 F95 V96 T97F89-A93 HydrophobicContact CD1-CB 4.1Å; F89-A93 HydrophobicContact CE1-CB 3.7Å; F89-A93 HydrophobicContact CZ-CB 4.23Å; F89-A93 WeakPolarHBondContact O-CB 3.43Å; F89-A93 PolarHBondContact O-N 3.37Å; I90-A93 PolarHBondContact O-N 2.9Å; A93-F95 PolarHBondContact O-N 3.47Å; A93-V96 PolarHBondContact O-N 3.43Å; A93-T97 WeakPolarHBondContact O-CB 3.46Å; A93-T97 VanDerWaalsContact O-CG2 3.27Å; A93-T97 WeakPolarHBondContact O-CG2 3.01Å; A93-T97 PolarHBondContact O-N 3.5Å; A93-T97 PolarHBondContact O-OG1 3.22Å
94L96.6Very high95.7Very high1 Ų18.6 Ų8.61%0.0054%0.039CC..Hα-helixtrans-64.4-38.4177.7-70.5173.5000112.5L15 V40 T43 F44 I90 P91 T97 W98 L125 L129L15-L94 HydrophobicContact CD1-CD2 4.41Å; V40-L94 HydrophobicContact CG1-CD2 4.41Å; T43-L94 WeakPolarHBondContact OG1-CD2 3.26Å; F44-L94 HydrophobicContact CB-CB 3.98Å; F44-L94 HydrophobicContact CD2-CB 4.22Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.38Å; I90-L94 WeakPolarHBondContact O-CB 3.38Å; I90-L94 VanDerWaalsContact O-CG 3.28Å; I90-L94 WeakPolarHBondContact O-CG 3.44Å; I90-L94 PolarHBondContact O-N 2.99Å; P91-L94 PolarHBondContact O-N 3.32Å; L94-T97 WeakPolarHBondContact CA-OG1 3.5Å; L94-T97 PolarHBondContact O-OG1 3.48Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 3.4Å; L94-L125 HydrophobicContact CD2-CD1 4.1Å; L94-L125 HydrophobicContact CD2-CD2 4.17Å; L94-L129 HydrophobicContact CD2-CD1 4.2Å
95F96.9Very high95.9Very high32 Ų328.7 Ų8.714%0.144%0.041CC..Hα-helixtrans-66.3-47.2177.2-175.1-97.7000112.2F44 P91 V92 A93 W98 S99 F334 R456 L457F44-F95 HydrophobicContact CD2-CB 3.95Å; F44-F95 HydrophobicContact CD2-CD2 4.5Å; F44-F95 AromaticContact CE1-CD2 4Å; F44-F95 HydrophobicContact CE1-CD2 4Å; F44-F95 HydrophobicContact CE2-CB 3.72Å; F44-F95 AromaticContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CD2 3.92Å; F44-F95 HydrophobicContact CE2-CG 4.27Å; F44-F95 HydrophobicContact CZ-CB 4.33Å; F44-F95 AromaticContact CZ-CD2 3.64Å; F44-F95 HydrophobicContact CZ-CD2 3.64Å; F44-F95 HydrophobicContact CZ-CE2 4.43Å; F44-F95 HydrophobicContact CZ-CG 4.41Å; P91-F95 WeakPolarHBondContact O-CB 3.29Å; P91-F95 PolarHBondContact O-N 3.33Å; V92-F95 PolarHBondContact O-N 3.37Å; A93-F95 PolarHBondContact O-N 3.47Å; F95-W98 HydrophobicContact CD2-CE3 4.12Å; F95-W98 HydrophobicContact CD2-CZ3 4.31Å; F95-W98 HydrophobicContact CE2-CE3 4.33Å; F95-W98 HydrophobicContact CE2-CZ3 4.15Å; F95-W98 PolarHBondContact O-N 3.22Å; F95-S99 PolarHBondContact O-N 3.31Å; F95-S99 VanDerWaalsContact O-N 3.14Å; 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 4.49Å; F95-F334 HydrophobicContact CE1-CD1 4.01Å; F95-F334 AromaticContact CE1-CE1 3.67Å; F95-F334 HydrophobicContact CE1-CE1 3.67Å; F95-F334 HydrophobicContact CG-CE1 4.35Å; F95-R456 HydrophobicContact CZ-CB 3.95Å; F95-L457 HydrophobicContact CD1-CD2 4.04Å; F95-L457 HydrophobicContact CE1-CD2 3.85Å
96V97.2Very high96Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-63.4-46.5177.5170.70000110V92 A93 W98 S99 I100 A333 A337 L457V92-V96 WeakPolarHBondContact O-CG2 3.23Å; V92-V96 PolarHBondContact O-N 3Å; A93-V96 PolarHBondContact O-N 3.43Å; V96-W98 PolarHBondContact O-N 3.12Å; V96-S99 PolarHBondContact O-N 3.35Å; V96-S99 VanDerWaalsContact O-N 3.13Å; V96-S99 PolarHBondContact O-OG 3Å; V96-I100 HydrophobicContact CG1-CD1 3.66Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 3.05Å; V96-A333 HydrophobicContact CG2-CB 4.21Å; V96-A337 HydrophobicContact CG1-CB 3.61Å; V96-L457 HydrophobicContact CG2-CD2 4.23Å
97T96.4Very high96.1Very high1 Ų19.6 Ų9.61%0.0064%0.044CC..Hα-helixtrans-66.8-34.2178.654.50000113.6A93 L94 S99 I100 M101 L125 L246A93-T97 WeakPolarHBondContact O-CB 3.46Å; A93-T97 VanDerWaalsContact O-CG2 3.27Å; A93-T97 WeakPolarHBondContact O-CG2 3.01Å; A93-T97 PolarHBondContact O-N 3.5Å; A93-T97 PolarHBondContact O-OG1 3.22Å; L94-T97 WeakPolarHBondContact CA-OG1 3.5Å; L94-T97 PolarHBondContact O-OG1 3.48Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.18Å; T97-I100 PolarHBondContact O-N 3.12Å; T97-M101 WeakPolarHBondContact O-CB 3.41Å; T97-M101 WeakPolarHBondContact O-CG 3.36Å; T97-M101 PolarHBondContact O-N 3.06Å; T97-L125 HydrophobicContact CG2-CD1 3.32Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.4Å; T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.14Å
98W97.3Very high96.1Very high54 Ų549.6 Ų9.621%0.2054%0.044CC..Hα-helixtrans-58.3-43.7170.217237.8000111.8V40 A41 L94 F95 V96 E102 R456V40-W98 HydrophobicContact CG1-CB 4.08Å; A41-W98 HydrophobicContact CB-CD2 4.23Å; A41-W98 HydrophobicContact CB-CG 4.23Å; A41-W98 HydrophobicContact CB-CZ2 4.43Å; L94-W98 VanDerWaalsContact O-CB 3.27Å; L94-W98 WeakPolarHBondContact O-CB 3.36Å; L94-W98 PolarHBondContact O-N 3.4Å; F95-W98 HydrophobicContact CD2-CE3 4.12Å; F95-W98 HydrophobicContact CD2-CZ3 4.31Å; F95-W98 HydrophobicContact CE2-CE3 4.33Å; F95-W98 HydrophobicContact CE2-CZ3 4.15Å; F95-W98 PolarHBondContact O-N 3.22Å; V96-W98 PolarHBondContact O-N 3.12Å; W98-E102 PolarHBondContact O-N 3.2Å; W98-E102 VanDerWaalsContact O-N 3.13Å; W98-R456 VanDerWaalsContact CH2-CD 3.43Å; W98-R456 VanDerWaalsContact CZ3-CD 3.49Å
99S97.6Very high96.1Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-64.3-41.8175.273.80000112.9F95 V96 T97 E102 F103 P453 L457F95-S99 PolarHBondContact O-N 3.31Å; F95-S99 VanDerWaalsContact O-N 3.14Å; V96-S99 PolarHBondContact O-N 3.35Å; V96-S99 VanDerWaalsContact O-N 3.13Å; V96-S99 PolarHBondContact O-OG 3Å; T97-S99 VanDerWaalsContact C-N 3.3Å; T97-S99 PolarHBondContact O-N 3.18Å; S99-E102 PolarHBondContact O-N 3.23Å; S99-F103 WeakPolarHBondContact O-CB 3.45Å; S99-F103 PolarHBondContact O-N 3.04Å; S99-P453 WeakPolarHBondContact O-CB 3.36Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CG 3.49Å
100I97.3Very high95.9Very high0 Ų020.1 Ų20.10%011%0.108CC..Hα-helixtrans-68.6-41.7179.9-65170.5000111.4V96 T97 E102 F103 S104 L121 P242 A245 L246V96-I100 HydrophobicContact CG1-CD1 3.66Å; V96-I100 HydrophobicContact CG1-CG1 4.35Å; V96-I100 WeakPolarHBondContact O-CG1 3.47Å; V96-I100 PolarHBondContact O-N 3.05Å; T97-I100 PolarHBondContact O-N 3.12Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.27Å; I100-F103 PolarHBondContact O-N 3.15Å; I100-S104 PolarHBondContact O-N 3.42Å; I100-S104 PolarHBondContact O-OG 3.12Å; I100-L121 HydrophobicContact CG2-CD1 4.21Å; I100-P242 HydrophobicContact CG2-CB 3.9Å; I100-P242 WeakPolarHBondContact CG2-O 3.48Å; I100-A245 HydrophobicContact CD1-CB 4.04Å; I100-A245 HydrophobicContact CG1-CB 4.25Å; I100-L246 HydrophobicContact CD1-CB 3.68Å; I100-L246 HydrophobicContact CD1-CD1 4.31Å; I100-L246 HydrophobicContact CD1-CG 4.1Å; I100-L246 HydrophobicContact CG2-CB 4.44Å; I100-L246 HydrophobicContact CG2-CD1 4.47Å
101M96Very high95.8Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-63.4-35.3176.5-73.5-74.4-147.400111.7V36 T97 S104 F118 L121 L122V36-M101 HydrophobicContact CG1-CE 3.34Å; V36-M101 HydrophobicContact CG1-SD 4.17Å; T97-M101 WeakPolarHBondContact O-CB 3.41Å; T97-M101 WeakPolarHBondContact O-CG 3.36Å; T97-M101 PolarHBondContact O-N 3.06Å; M101-S104 WeakPolarHBondContact CA-OG 3.21Å; M101-S104 PolarHBondContact O-OG 3.26Å; M101-F118 HydrophobicContact CB-CE1 4.08Å; M101-F118 HydrophobicContact CE-CD1 4.27Å; M101-F118 HydrophobicContact CG-CE1 4.47Å; M101-F118 WeakPolarHBondContact O-CE1 3.37Å; M101-F118 VanDerWaalsContact O-CZ 3.28Å; M101-F118 WeakPolarHBondContact O-CZ 3.43Å; M101-F118 HydrophobicContact SD-CD1 3.32Å; M101-F118 WeakPolarHBondContact SD-CD1 3.36Å; M101-F118 HydrophobicContact SD-CE1 3.57Å; M101-F118 VanDerWaalsContact SD-CE1 3.57Å; M101-F118 HydrophobicContact SD-CG 4.21Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.55Å; M101-L121 HydrophobicContact CE-CG 4.25Å; M101-L121 HydrophobicContact CG-CD2 4.03Å; M101-L121 HydrophobicContact SD-CB 4.17Å; M101-L121 HydrophobicContact SD-CD1 3.92Å; M101-L121 HydrophobicContact SD-CD2 3.64Å; M101-L121 HydrophobicContact SD-CG 4.12Å; M101-L122 HydrophobicContact CE-CB 4.12Å
102E97.1Very high95.6Very high7 Ų726.2 Ų26.23%0.03315%0.146CC..Hα-helixtrans-71.4-41.6173.2-174.9163.9-164.200112K37 W98 S99 I100 S104 L105 P453 R456K37-E102 HydrophobicContact CD-CB 4.16Å; K37-E102 HydrophobicContact CD-CG 4.31Å; K37-E102 VanDerWaalsContact CE-CD 3.41Å; K37-E102 VanDerWaalsContact CE-OE2 3.23Å; K37-E102 WeakPolarHBondContact CE-OE2 3.15Å; K37-E102 IonicContact NZ-OE1 2.65Å; K37-E102 PolarHBondContact NZ-OE1 3.37Å; K37-E102 IonicContact NZ-OE2 2.96Å; K37-E102 PolarHBondContact NZ-OE2 3.18Å; W98-E102 PolarHBondContact O-N 3.2Å; W98-E102 VanDerWaalsContact O-N 3.13Å; S99-E102 PolarHBondContact O-N 3.23Å; I100-E102 VanDerWaalsContact C-N 3.3Å; I100-E102 PolarHBondContact O-N 3.27Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.17Å; E102-L105 WeakPolarHBondContact O-CB 3.23Å; E102-L105 PolarHBondContact O-N 3.16Å; E102-P453 HydrophobicContact CB-CB 4.46Å; E102-P453 HydrophobicContact CB-CG 4.42Å; E102-P453 HydrophobicContact CG-CG 4.33Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.71Å; E102-R456 PolarHBondContact OE2-NH1 2.92Å; E102-R456 IonicContact OE2-NH2 3.71Å; E102-R456 PolarHBondContact OE2-NH2 3.33Å
103F97.3Very high95.3Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-62.2-37.9175.4175.7-100000112.2S99 I100 L105 W106 Y107 P242 M341 L450 P453S99-F103 WeakPolarHBondContact O-CB 3.45Å; S99-F103 PolarHBondContact O-N 3.04Å; I100-F103 PolarHBondContact O-N 3.15Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.38Å; F103-W106 HydrophobicContact CD2-CE3 4.33Å; F103-W106 AromaticContact CE2-CE3 3.81Å; F103-W106 HydrophobicContact CE2-CE3 3.81Å; F103-W106 AromaticContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CZ-CE3 4.25Å; F103-W106 HydrophobicContact CZ-CZ3 4.13Å; F103-W106 WeakPolarHBondContact O-CB 3.36Å; F103-W106 PolarHBondContact O-N 2.92Å; F103-W106 VanDerWaalsContact O-N 3.11Å; F103-Y107 AromaticContact CE1-CD2 3.96Å; F103-Y107 HydrophobicContact CE1-CD2 3.96Å; F103-Y107 HydrophobicContact CE1-CG 4.01Å; F103-Y107 AromaticContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CG 4.26Å; F103-Y107 PolarHBondContact O-N 2.95Å; F103-P242 HydrophobicContact CD1-CB 4.25Å; F103-P242 HydrophobicContact CD1-CG 3.93Å; F103-P242 HydrophobicContact CE1-CG 3.92Å; F103-M341 HydrophobicContact CB-CG 4.46Å; F103-M341 HydrophobicContact CB-SD 3.89Å; F103-M341 HydrophobicContact CD1-CG 4.24Å; F103-M341 HydrophobicContact CD2-CB 4.29Å; F103-M341 HydrophobicContact CD2-CG 4.32Å; F103-M341 HydrophobicContact CD2-SD 4.5Å; F103-M341 HydrophobicContact CE2-CB 4.34Å; F103-M341 HydrophobicContact CG-CG 4.08Å; F103-M341 HydrophobicContact CG-SD 4.14Å; F103-L450 HydrophobicContact CD2-CD1 3.79Å; F103-L450 HydrophobicContact CE2-CD1 3.58Å; F103-P453 HydrophobicContact CB-CG 4.12Å
104S96.1Very high95.1Very high0 Ų031 Ų310%017%0.171CC..Hα-helixtrans-68.4-2317957.50000113.7I100 M101 E102 W106 M108 F118I100-S104 PolarHBondContact O-N 3.42Å; I100-S104 PolarHBondContact O-OG 3.12Å; M101-S104 WeakPolarHBondContact CA-OG 3.21Å; M101-S104 PolarHBondContact O-OG 3.26Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.17Å; S104-W106 PolarHBondContact O-N 2.8Å; S104-M108 WeakPolarHBondContact O-CB 3.09Å; S104-M108 PolarHBondContact O-N 2.88Å; S104-F118 WeakPolarHBondContact OG-CE2 3.17Å; S104-F118 WeakPolarHBondContact OG-CZ 3.22Å
105L95.7Very high94.9Very high16 Ų1632.8 Ų32.88%0.08418%0.18CC..Hα-helixtrans-61.2-36.9170.6-66.6171.2000111.6P33 K37 E102 F103 F118P33-L105 HydrophobicContact CB-CD2 3.27Å; P33-L105 HydrophobicContact CG-CD2 4.46Å; K37-L105 HydrophobicContact CD-CD1 3.97Å; E102-L105 WeakPolarHBondContact O-CB 3.23Å; E102-L105 PolarHBondContact O-N 3.16Å; F103-L105 VanDerWaalsContact C-N 3.27Å; F103-L105 PolarHBondContact O-N 3.38Å; L105-F118 HydrophobicContact CD2-CE1 4.24Å; L105-F118 HydrophobicContact CD2-CE2 4.22Å; L105-F118 HydrophobicContact CD2-CZ 3.59Å; L105-F118 HydrophobicContact CG-CE1 4.5Å; L105-F118 HydrophobicContact CG-CZ 3.86Å
106W95.8Very high94.7Very high28 Ų2834.7 Ų34.711%0.10619%0.19CC..Hα-helixtrans-78.4-52176.3176.868.9000111.5F103 S104 M108 N109 H348 N447 T449 L450F103-W106 HydrophobicContact CD2-CE3 4.33Å; F103-W106 AromaticContact CE2-CE3 3.81Å; F103-W106 HydrophobicContact CE2-CE3 3.81Å; F103-W106 AromaticContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CE2-CZ3 3.85Å; F103-W106 HydrophobicContact CZ-CE3 4.25Å; F103-W106 HydrophobicContact CZ-CZ3 4.13Å; F103-W106 WeakPolarHBondContact O-CB 3.36Å; F103-W106 PolarHBondContact O-N 2.92Å; F103-W106 VanDerWaalsContact O-N 3.11Å; S104-W106 PolarHBondContact O-N 2.8Å; W106-M108 PolarHBondContact O-N 3.16Å; W106-N109 PolarHBondContact O-N 3.34Å; W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.67Å; W106-H348 AromaticContact CH2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.22Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.41Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.31Å; W106-H348 HydrophobicContact CZ3-CB 3.92Å; W106-N447 VanDerWaalsContact CD1-ND2 3.25Å; W106-T449 WeakPolarHBondContact CB-OG1 3.37Å; W106-L450 HydrophobicContact CD2-CB 4.11Å; W106-L450 HydrophobicContact CD2-CD1 4.39Å; W106-L450 HydrophobicContact CD2-CD2 4.45Å; W106-L450 HydrophobicContact CE3-CB 4.46Å; W106-L450 HydrophobicContact CE3-CD1 3.93Å; W106-L450 HydrophobicContact CG-CB 4.21Å; W106-L450 HydrophobicContact CH2-CD1 4.38Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.93Å; W106-L450 HydrophobicContact CZ3-CD1 3.94Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å
107Y95.6Very high94.5Very high14 Ų1434.7 Ų34.76%0.05519%0.19CC..Hα-helixtrans-68.7-36.2-170.3-171.4-87.1000113.4F103 P240 T241 P242 H348F103-Y107 AromaticContact CE1-CD2 3.96Å; F103-Y107 HydrophobicContact CE1-CD2 3.96Å; F103-Y107 HydrophobicContact CE1-CG 4.01Å; F103-Y107 AromaticContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CD2 3.79Å; F103-Y107 HydrophobicContact CZ-CG 4.26Å; F103-Y107 PolarHBondContact O-N 2.95Å; Y107-P240 HydrophobicContact CE1-CB 4.41Å; Y107-T241 WeakPolarHBondContact CD2-OG1 3.46Å; Y107-T241 HydrophobicContact CE2-CG2 4.15Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.39Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.09Å; Y107-P242 HydrophobicContact CD1-CG 3.86Å; Y107-P242 HydrophobicContact CG-CG 4.15Å; Y107-H348 HydrophobicContact CD2-CB 4.15Å; Y107-H348 HydrophobicContact CE2-CB 4Å
108M94.6Very high94.4Very high2 Ų234.7 Ų34.71%0.0119%0.19CC..THydrogen-bonded Turntrans-101.717.4-176.5-59.3-65.6-74.400112.8S104 W106 S110 D111 I114 F117 P240S104-M108 WeakPolarHBondContact O-CB 3.09Å; S104-M108 PolarHBondContact O-N 2.88Å; W106-M108 PolarHBondContact O-N 3.16Å; M108-S110 PolarHBondContact O-N 3.39Å; M108-D111 HydrophobicContact CE-CB 4.16Å; M108-D111 WeakPolarHBondContact CE-OD2 3.23Å; M108-D111 PolarHBondContact O-N 2.89Å; M108-I114 HydrophobicContact CB-CD1 4.36Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; M108-F117 HydrophobicContact CE-CD2 4.08Å; M108-F117 HydrophobicContact CE-CE2 4.28Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.35Å; M108-F117 HydrophobicContact CG-CE1 4.22Å; M108-F117 HydrophobicContact CG-CZ 4.45Å; M108-P240 HydrophobicContact SD-CB 4.18Å
109N91.9Very high94.3Very high132 Ų13235 Ų3571%0.70619%0.192SC*.THydrogen-bonded Turntrans-63.3-27-175-168.231.4000113W106 D111W106-N109 PolarHBondContact O-N 3.34Å; N109-D111 VanDerWaalsContact C-N 3.33Å
110S91.2Very high94.2Very high101 Ų10137 Ų3771%0.70620%0.2SC*.THydrogen-bonded Turntrans-76.5-18.6176.457.10000113.9M108M108-S110 PolarHBondContact O-N 3.39Å
111D92.8Very high94.1Very high34 Ų3437 Ų3718%0.18220%0.2CC..  trans-83.2125.7-172-90.115.7000111M108 N109 N113 I114 W157M108-D111 HydrophobicContact CE-CB 4.16Å; M108-D111 WeakPolarHBondContact CE-OD2 3.23Å; M108-D111 PolarHBondContact O-N 2.89Å; N109-D111 VanDerWaalsContact C-N 3.33Å; D111-N113 PolarHBondContact O-N 3.49Å; D111-I114 PolarHBondContact O-N 3.43Å; D111-W157 PolarHBondContact OD2-NE1 2.97Å
112P90.6Very high94Very high116 Ų11637 Ų3775%0.75320%0.2SC*.THydrogen-bonded Turntrans-66.2-24.9-178.826.3-34.6000112.9
113N92Very high94Very high83 Ų8338.5 Ų38.544%0.44421%0.208SC..THydrogen-bonded Turntrans-9827.9-176.3-66.3-22.5000113.2D111 N115 Q116 F117 W157D111-N113 PolarHBondContact O-N 3.49Å; N113-N115 PolarHBondContact O-N 3.42Å; N113-Q116 WeakPolarHBondContact O-CB 3.34Å; N113-Q116 PolarHBondContact O-N 3.21Å; N113-F117 PolarHBondContact O-N 3.44Å; N113-W157 HydrophobicContact CB-CH2 4.12Å; N113-W157 HydrophobicContact CB-CZ2 4.01Å; N113-W157 WeakPolarHBondContact O-CH2 3.49Å
114I92.1Very high93.9Very high29 Ų2938.5 Ų38.515%0.14921%0.208CC..Hα-helixtrans-54.2-36.9-179.8-167.3171.4000113P33 M108 D111 Q116 F117 F118P33-I114 HydrophobicContact CG-CD1 4.38Å; P33-I114 HydrophobicContact CG-CG1 4.27Å; P33-I114 HydrophobicContact CG-CG2 4.22Å; M108-I114 HydrophobicContact CB-CD1 4.36Å; M108-I114 HydrophobicContact CB-CG1 4.37Å; D111-I114 PolarHBondContact O-N 3.43Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.95Å; I114-F117 WeakPolarHBondContact O-CB 3.42Å; I114-F117 PolarHBondContact O-N 3.47Å; I114-F118 HydrophobicContact CD1-CE2 3.95Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.65Å; I114-F118 WeakPolarHBondContact O-CD2 3.37Å; I114-F118 PolarHBondContact O-N 3.08Å
115N91.8Very high93.9Very high39 Ų3938.8 Ų38.821%0.20921%0.21CC..Hα-helixtrans-63.6-38.5179.3-65.2-22.1000112.4K29 Y32 P33 N113 K119K29-N115 PolarHBondContact O-ND2 3.43Å; Y32-N115 HydrophobicContact CD1-CB 3.95Å; Y32-N115 WeakPolarHBondContact CE1-O 3.3Å; P33-N115 VanDerWaalsContact CD-OD1 3.26Å; P33-N115 WeakPolarHBondContact CD-OD1 3.41Å; P33-N115 WeakPolarHBondContact CG-OD1 3.48Å; N113-N115 PolarHBondContact O-N 3.42Å; N115-K119 PolarHBondContact O-N 2.96Å
116Q92.1Very high93.9Very high73 Ų7339.5 Ų39.534%0.34121%0.213SC..Hα-helixtrans-68.7-37.7176.3-1791792.900111.2N113 I114 K119 Y120 W157N113-Q116 WeakPolarHBondContact O-CB 3.34Å; N113-Q116 PolarHBondContact O-N 3.21Å; I114-Q116 VanDerWaalsContact C-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.95Å; Q116-K119 WeakPolarHBondContact O-CB 3.4Å; Q116-K119 PolarHBondContact O-N 2.93Å; Q116-Y120 HydrophobicContact CG-CD2 4.35Å; Q116-Y120 HydrophobicContact CG-CE1 4.24Å; Q116-Y120 HydrophobicContact CG-CE2 3.87Å; Q116-Y120 PolarHBondContact NE2-OH 2.89Å; Q116-Y120 PolarHBondContact O-N 2.71Å; Q116-W157 HydrophobicContact CB-CH2 4.09Å; Q116-W157 HydrophobicContact CG-CH2 4.18Å; Q116-W157 HydrophobicContact CG-CZ3 4.19Å
117F94.5Very high93.9Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-59.5-50.1175-177.7-96.8000111.7M108 N113 I114 K119 Y120 L121 L154 W157 P240 P242 V243M108-F117 HydrophobicContact CE-CD2 4.08Å; M108-F117 HydrophobicContact CE-CE2 4.28Å; M108-F117 HydrophobicContact CE-CG 4.39Å; M108-F117 HydrophobicContact CG-CD1 4.35Å; M108-F117 HydrophobicContact CG-CE1 4.22Å; M108-F117 HydrophobicContact CG-CZ 4.45Å; N113-F117 PolarHBondContact O-N 3.44Å; I114-F117 WeakPolarHBondContact O-CB 3.42Å; I114-F117 PolarHBondContact O-N 3.47Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.03Å; F117-Y120 PolarHBondContact O-N 2.97Å; F117-L121 HydrophobicContact CE1-CD1 3.88Å; F117-L121 HydrophobicContact CZ-CD1 4.29Å; F117-L121 PolarHBondContact O-N 3.08Å; F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.28Å; F117-W157 HydrophobicContact CB-CH2 3.64Å; F117-W157 HydrophobicContact CB-CZ2 3.82Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.05Å; F117-W157 HydrophobicContact CD2-CE3 4.15Å; F117-W157 HydrophobicContact CD2-CH2 4.41Å; F117-W157 HydrophobicContact CD2-CZ2 4.3Å; F117-W157 HydrophobicContact CD2-CZ3 4.32Å; F117-P240 HydrophobicContact CE2-CG 3.84Å; F117-P240 HydrophobicContact CZ-CG 4.45Å; F117-P242 HydrophobicContact CE1-CB 4.45Å; F117-P242 HydrophobicContact CZ-CB 4.16Å; F117-P242 HydrophobicContact CZ-CG 4.44Å; F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å
118F94.1Very high93.9Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-63.4-34.3177.1-85.7-102.8000112.5Y32 P33 V36 M101 S104 L105 I114 L122Y32-F118 HydrophobicContact CD1-CB 4.4Å; Y32-F118 HydrophobicContact CE1-CB 3.99Å; P33-F118 HydrophobicContact CB-CD1 4.1Å; P33-F118 HydrophobicContact CB-CD2 3.91Å; P33-F118 HydrophobicContact CB-CE1 3.97Å; P33-F118 HydrophobicContact CB-CE2 3.77Å; P33-F118 HydrophobicContact CB-CG 4.07Å; P33-F118 HydrophobicContact CB-CZ 3.8Å; P33-F118 HydrophobicContact CG-CD2 4.23Å; P33-F118 HydrophobicContact CG-CE2 4.38Å; V36-F118 HydrophobicContact CB-CD1 4.2Å; V36-F118 HydrophobicContact CG1-CD1 4.17Å; M101-F118 HydrophobicContact CB-CE1 4.08Å; M101-F118 HydrophobicContact CE-CD1 4.27Å; M101-F118 HydrophobicContact CG-CE1 4.47Å; M101-F118 WeakPolarHBondContact O-CE1 3.37Å; M101-F118 VanDerWaalsContact O-CZ 3.28Å; M101-F118 WeakPolarHBondContact O-CZ 3.43Å; M101-F118 HydrophobicContact SD-CD1 3.32Å; M101-F118 WeakPolarHBondContact SD-CD1 3.36Å; M101-F118 HydrophobicContact SD-CE1 3.57Å; M101-F118 VanDerWaalsContact SD-CE1 3.57Å; M101-F118 HydrophobicContact SD-CG 4.21Å; S104-F118 WeakPolarHBondContact OG-CE2 3.17Å; S104-F118 WeakPolarHBondContact OG-CZ 3.22Å; L105-F118 HydrophobicContact CD2-CE1 4.24Å; L105-F118 HydrophobicContact CD2-CE2 4.22Å; L105-F118 HydrophobicContact CD2-CZ 3.59Å; L105-F118 HydrophobicContact CG-CE1 4.5Å; L105-F118 HydrophobicContact CG-CZ 3.86Å; I114-F118 HydrophobicContact CD1-CE2 3.95Å; I114-F118 HydrophobicContact CG1-CD2 3.78Å; I114-F118 HydrophobicContact CG1-CE2 3.65Å; I114-F118 WeakPolarHBondContact O-CD2 3.37Å; I114-F118 PolarHBondContact O-N 3.08Å; F118-L122 WeakPolarHBondContact O-CB 3.05Å; F118-L122 PolarHBondContact O-N 3.39Å
119K93.8Very high93.9Very high60 Ų6038.5 Ų38.526%0.26121%0.212SC..Hα-helixtrans-62.4-47.5173.1-174.9-177.469.31770111.5T22 N115 Q116 F117 L122 I123T22-K119 HydrophobicContact CG2-CD 4.24Å; T22-K119 WeakPolarHBondContact OG1-CD 3.29Å; N115-K119 PolarHBondContact O-N 2.96Å; Q116-K119 WeakPolarHBondContact O-CB 3.4Å; Q116-K119 PolarHBondContact O-N 2.93Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 3.03Å; K119-L122 PolarHBondContact O-N 3.05Å; K119-I123 HydrophobicContact CG-CD1 3.96Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.23Å; K119-I123 PolarHBondContact O-N 2.63Å
120Y95.6Very high94.1Very high42 Ų4234.5 Ų34.517%0.16519%0.19CC..Hα-helixtrans-65.1-40.4178.3-67.8-15.9000112.4Q116 F117 L122 I123 F124 L153 L154 W157Q116-Y120 HydrophobicContact CG-CD2 4.35Å; Q116-Y120 HydrophobicContact CG-CE1 4.24Å; Q116-Y120 HydrophobicContact CG-CE2 3.87Å; Q116-Y120 PolarHBondContact NE2-OH 2.89Å; Q116-Y120 PolarHBondContact O-N 2.71Å; F117-Y120 PolarHBondContact O-N 2.97Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.45Å; Y120-I123 PolarHBondContact O-N 3.05Å; Y120-F124 VanDerWaalsContact O-CB 3.26Å; Y120-F124 WeakPolarHBondContact O-CB 3.46Å; Y120-F124 PolarHBondContact O-N 3.47Å; Y120-L153 HydrophobicContact CD2-CB 4.49Å; Y120-L153 HydrophobicContact CE2-CB 4.41Å; Y120-L154 HydrophobicContact CD2-CD2 4.37Å; Y120-W157 HydrophobicContact CD2-CE3 4.29Å; Y120-W157 AromaticContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CE2-CE3 4.49Å; Y120-W157 AromaticContact CE2-CZ3 3.97Å; Y120-W157 HydrophobicContact CE2-CZ3 3.97Å
121L95Very high94.3Very high1 Ų129.8 Ų29.81%0.00516%0.156CC..Hα-helixtrans-63.1-39.2175.9-154.2162.2000111.4I100 M101 F117 F124 L125 L246I100-L121 HydrophobicContact CG2-CD1 4.21Å; M101-L121 HydrophobicContact CE-CB 3.99Å; M101-L121 HydrophobicContact CE-CD2 3.55Å; M101-L121 HydrophobicContact CE-CG 4.25Å; M101-L121 HydrophobicContact CG-CD2 4.03Å; M101-L121 HydrophobicContact SD-CB 4.17Å; M101-L121 HydrophobicContact SD-CD1 3.92Å; M101-L121 HydrophobicContact SD-CD2 3.64Å; M101-L121 HydrophobicContact SD-CG 4.12Å; F117-L121 HydrophobicContact CE1-CD1 3.88Å; F117-L121 HydrophobicContact CZ-CD1 4.29Å; F117-L121 PolarHBondContact O-N 3.08Å; L121-F124 WeakPolarHBondContact O-CB 3.4Å; L121-L125 PolarHBondContact O-N 3.1Å; L121-L246 HydrophobicContact CD1-CD1 4.34Å; L121-L246 HydrophobicContact CD2-CD1 3.19Å; L121-L246 HydrophobicContact CG-CD1 3.77Å
122L95.1Very high94.5Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-68.6-44.7175.7-176.265.8000112.7L15 P18 I19 V36 V40 M101 F118 K119 Y120 F124 L125 I126L15-L122 HydrophobicContact CB-CD1 4.45Å; L15-L122 HydrophobicContact CD2-CD1 3.95Å; P18-L122 HydrophobicContact CB-CD2 3.52Å; P18-L122 HydrophobicContact CG-CD2 3.69Å; I19-L122 HydrophobicContact CD1-CD2 4.32Å; I19-L122 HydrophobicContact CD1-CG 4.38Å; I19-L122 HydrophobicContact CG1-CD2 3.77Å; I19-L122 HydrophobicContact CG1-CG 4.32Å; V36-L122 HydrophobicContact CG1-CB 4.43Å; V36-L122 HydrophobicContact CG1-CD1 4.45Å; V36-L122 HydrophobicContact CG1-CD2 4.34Å; V40-L122 HydrophobicContact CG2-CD1 4.22Å; M101-L122 HydrophobicContact CE-CB 4.12Å; F118-L122 WeakPolarHBondContact O-CB 3.05Å; F118-L122 PolarHBondContact O-N 3.39Å; K119-L122 PolarHBondContact O-N 3.05Å; Y120-L122 VanDerWaalsContact C-N 3.32Å; Y120-L122 PolarHBondContact O-N 3.45Å; L122-F124 VanDerWaalsContact C-N 3.27Å; L122-F124 PolarHBondContact O-N 3.44Å; L122-L125 HydrophobicContact CD1-CD2 4.19Å; L122-L125 WeakPolarHBondContact O-CB 3.04Å; L122-L125 PolarHBondContact O-N 3.35Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CG-CD1 4.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 3.38Å
123I95.6Very high94.7Very high39 Ų3922.6 Ų22.620%0.211%0.112CC..Hα-helixtrans-60.7-42.4176.1-66.2163.8000110.1I19 K119 Y120 L125 I126 T127 M150I19-I123 HydrophobicContact CD1-CG1 3.71Å; I19-I123 HydrophobicContact CG1-CG1 4.3Å; K119-I123 HydrophobicContact CG-CD1 3.96Å; K119-I123 VanDerWaalsContact O-CG1 3.31Å; K119-I123 WeakPolarHBondContact O-CG1 3.23Å; K119-I123 PolarHBondContact O-N 2.63Å; Y120-I123 PolarHBondContact O-N 3.05Å; I123-L125 VanDerWaalsContact C-N 3.3Å; I123-L125 PolarHBondContact O-N 3.35Å; I123-I126 PolarHBondContact O-N 3.2Å; I123-T127 HydrophobicContact CG2-CG2 4.41Å; I123-T127 WeakPolarHBondContact O-CG2 3.39Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 2.64Å; I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.68Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å
124F96.1Very high94.8Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-57.3-43174.7180-77.4000112.1Y120 L121 L122 T127 M128 V147 M150 L154 L246 L247 T251 M252Y120-F124 VanDerWaalsContact O-CB 3.26Å; Y120-F124 WeakPolarHBondContact O-CB 3.46Å; Y120-F124 PolarHBondContact O-N 3.47Å; L121-F124 WeakPolarHBondContact O-CB 3.4Å; L122-F124 VanDerWaalsContact C-N 3.27Å; L122-F124 PolarHBondContact O-N 3.44Å; F124-T127 PolarHBondContact O-N 3.42Å; F124-T127 PolarHBondContact O-OG1 3.3Å; F124-M128 PolarHBondContact O-N 3.01Å; F124-V147 HydrophobicContact CE2-CB 4.34Å; F124-V147 HydrophobicContact CE2-CG1 3.65Å; F124-V147 HydrophobicContact CZ-CG1 3.77Å; F124-M150 HydrophobicContact CB-CB 3.93Å; F124-M150 HydrophobicContact CB-CG 4.38Å; F124-M150 HydrophobicContact CD2-CB 3.66Å; F124-M150 HydrophobicContact CG-CB 4.28Å; F124-L154 HydrophobicContact CB-CD1 4.27Å; F124-L154 HydrophobicContact CD2-CD1 4.29Å; F124-L154 HydrophobicContact CG-CD1 4.37Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.01Å; F124-L246 HydrophobicContact CE1-CG 4.48Å; F124-L246 HydrophobicContact CG-CD2 4.2Å; F124-L246 HydrophobicContact CZ-CD2 3.87Å; F124-L247 HydrophobicContact CD2-CD2 3.94Å; F124-L247 HydrophobicContact CE1-CD2 4.24Å; F124-L247 HydrophobicContact CE2-CD2 3.16Å; F124-L247 HydrophobicContact CZ-CD2 3.37Å; F124-T251 HydrophobicContact CE1-CG2 3.78Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.48Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.26Å; F124-M252 HydrophobicContact CE2-CB 4.47Å; F124-M252 HydrophobicContact CZ-CB 4.11Å
125L95.5Very high94.9Very high5 Ų518 Ų183%0.0269%0.088CC..Hα-helixtrans-65.7-40.8177.1172132.1000112L15 L94 T97 L121 L122 I123 M128 L129L15-L125 HydrophobicContact CD1-CD2 3.44Å; L15-L125 VanDerWaalsContact CD1-CD2 3.44Å; L15-L125 HydrophobicContact CD2-CD2 3.65Å; L15-L125 HydrophobicContact CG-CD2 4.11Å; L94-L125 HydrophobicContact CD2-CD1 4.1Å; L94-L125 HydrophobicContact CD2-CD2 4.17Å; T97-L125 HydrophobicContact CG2-CD1 3.32Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.4Å; L121-L125 PolarHBondContact O-N 3.1Å; L122-L125 HydrophobicContact CD1-CD2 4.19Å; L122-L125 WeakPolarHBondContact O-CB 3.04Å; L122-L125 PolarHBondContact O-N 3.35Å; L122-L125 VanDerWaalsContact O-N 3.13Å; I123-L125 VanDerWaalsContact C-N 3.3Å; I123-L125 PolarHBondContact O-N 3.35Å; L125-M128 PolarHBondContact O-N 3.45Å; L125-L129 HydrophobicContact CD2-CD1 3.86Å; L125-L129 HydrophobicContact CG-CD1 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.15Å; L125-L129 PolarHBondContact O-N 3.23Å
126I95.8Very high94.9Very high31 Ų3116.3 Ų16.316%0.1598%0.08CC..Hα-helixtrans-63.5-45.5176.5-67.1174.4000111L15 I19 L122 I123 M128 L129 I130L15-I126 HydrophobicContact CB-CD1 3.97Å; L15-I126 HydrophobicContact CB-CG1 3.86Å; L15-I126 HydrophobicContact CD1-CG1 4.33Å; I19-I126 HydrophobicContact CD1-CD1 3.25Å; I19-I126 HydrophobicContact CG1-CD1 4.46Å; L122-I126 HydrophobicContact CG-CD1 4.45Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 3.38Å; I123-I126 PolarHBondContact O-N 3.2Å; I126-M128 VanDerWaalsContact C-N 3.28Å; I126-M128 PolarHBondContact O-N 3.4Å; I126-L129 PolarHBondContact O-N 2.97Å; I126-I130 HydrophobicContact CG2-CD1 3.84Å; I126-I130 HydrophobicContact CG2-CG1 4.4Å; I126-I130 VanDerWaalsContact O-CG1 3.3Å; I126-I130 WeakPolarHBondContact O-CG1 3.34Å; I126-I130 PolarHBondContact O-N 3.26Å
127T96.1Very high95Very high17 Ų1712.9 Ų12.910%0.1046%0.064CC..Hα-helixtrans-63.6-35.8178.655.90000111.8I123 F124 I130 L131 G143I123-T127 HydrophobicContact CG2-CG2 4.41Å; I123-T127 WeakPolarHBondContact O-CG2 3.39Å; I123-T127 PolarHBondContact O-N 3.46Å; I123-T127 PolarHBondContact O-OG1 2.64Å; F124-T127 PolarHBondContact O-N 3.42Å; F124-T127 PolarHBondContact O-OG1 3.3Å; T127-I130 PolarHBondContact O-N 2.9Å; T127-L131 PolarHBondContact O-N 2.81Å; T127-G143 WeakPolarHBondContact O-CA 3.13Å
128M95.6Very high95Very high3 Ų315.7 Ų15.72%0.0158%0.076CC..Hα-helixtrans-67.1-41.4173.5-172.961.3-166.300112.6F89 F124 L125 I126 I130 L131 V132 V147 T251 A255F89-M128 HydrophobicContact CE1-CE 3.74Å; F89-M128 HydrophobicContact CE1-CG 4.32Å; F89-M128 HydrophobicContact CZ-CE 3.53Å; F124-M128 PolarHBondContact O-N 3.01Å; L125-M128 PolarHBondContact O-N 3.45Å; I126-M128 VanDerWaalsContact C-N 3.28Å; I126-M128 PolarHBondContact O-N 3.4Å; M128-I130 VanDerWaalsContact C-N 3.34Å; M128-L131 HydrophobicContact CE-CD2 4.49Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.45Å; M128-V132 HydrophobicContact CE-CG2 3.58Å; M128-V132 WeakPolarHBondContact O-CG2 3.23Å; M128-V132 PolarHBondContact O-N 3.06Å; M128-V147 HydrophobicContact CB-CG2 4.13Å; M128-V147 HydrophobicContact SD-CG2 4.23Å; M128-T251 HydrophobicContact CB-CG2 4.4Å; M128-T251 WeakPolarHBondContact CE-O 3.29Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; M128-A255 HydrophobicContact CE-CB 4.46Å
129L95.3Very high95.1Very high4 Ų416 Ų162%0.0218%0.077CC..Hα-helixtrans-65.9-37.5176.2-70.1170.9000111.8L12 L15 I90 L94 L125 I126 L131 V132 T133L12-L129 HydrophobicContact CD2-CB 4.04Å; L15-L129 HydrophobicContact CD1-CD1 3.25Å; I90-L129 HydrophobicContact CB-CD2 4.27Å; I90-L129 HydrophobicContact CG1-CD2 3.9Å; I90-L129 HydrophobicContact CG2-CD2 4.01Å; L94-L129 HydrophobicContact CD2-CD1 4.2Å; L125-L129 HydrophobicContact CD2-CD1 3.86Å; L125-L129 HydrophobicContact CG-CD1 4.18Å; L125-L129 WeakPolarHBondContact O-CG 3.15Å; L125-L129 PolarHBondContact O-N 3.23Å; I126-L129 PolarHBondContact O-N 2.97Å; L129-L131 VanDerWaalsContact C-N 3.35Å; L129-V132 PolarHBondContact O-N 3.2Å; L129-T133 WeakPolarHBondContact O-CB 3.32Å; L129-T133 WeakPolarHBondContact O-CG2 3.32Å; L129-T133 PolarHBondContact O-N 3.37Å; L129-T133 PolarHBondContact O-OG1 3.42Å
130I95.6Very high95.2Very high47 Ų4713.6 Ų13.624%0.2417%0.067CC..Hα-helixtrans-60.5-45172.2-68.6166.8000110.4I126 T127 M128 V132 A134 Q139I126-I130 HydrophobicContact CG2-CD1 3.84Å; I126-I130 HydrophobicContact CG2-CG1 4.4Å; I126-I130 VanDerWaalsContact O-CG1 3.3Å; I126-I130 WeakPolarHBondContact O-CG1 3.34Å; I126-I130 PolarHBondContact O-N 3.26Å; T127-I130 PolarHBondContact O-N 2.9Å; M128-I130 VanDerWaalsContact C-N 3.34Å; I130-V132 PolarHBondContact O-N 3.4Å; I130-A134 WeakPolarHBondContact O-CB 3.08Å; I130-A134 PolarHBondContact O-N 2.89Å; I130-Q139 HydrophobicContact CG2-CG 3.94Å
131L95.9Very high95.2Very high2 Ų213.5 Ų13.51%0.017%0.068CC..Hα-helixtrans-59-46.8178.4-172.8158.4000111.7T127 M128 L129 L140 W144 A255 F258T127-L131 PolarHBondContact O-N 2.81Å; M128-L131 HydrophobicContact CE-CD2 4.49Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 3.45Å; L129-L131 VanDerWaalsContact C-N 3.35Å; L131-L140 HydrophobicContact CG-CD2 4.22Å; L131-L140 HydrophobicContact CG-CG 4.5Å; L131-W144 HydrophobicContact CD1-CB 4.31Å; L131-W144 HydrophobicContact CD1-CE3 4.26Å; L131-A255 HydrophobicContact CD1-CB 3.8Å; L131-A255 HydrophobicContact CD2-CB 4.26Å; L131-F258 HydrophobicContact CD2-CD1 3.85Å; L131-F258 HydrophobicContact CD2-CE1 4.21Å
132V95.8Very high95.3Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-72.2-33.5-174.2169.20000112.8F89 M128 L129 I130 F258 R262F89-V132 HydrophobicContact CB-CG1 4.11Å; F89-V132 HydrophobicContact CD1-CB 4.14Å; F89-V132 HydrophobicContact CD1-CG1 3.71Å; F89-V132 HydrophobicContact CD1-CG2 3.56Å; F89-V132 HydrophobicContact CE1-CB 4.48Å; F89-V132 HydrophobicContact CE1-CG1 4.5Å; F89-V132 HydrophobicContact CE1-CG2 3.51Å; F89-V132 HydrophobicContact CG-CG1 4.2Å; F89-V132 HydrophobicContact CG-CG2 4.4Å; F89-V132 HydrophobicContact CZ-CG2 4.32Å; M128-V132 HydrophobicContact CE-CG2 3.58Å; M128-V132 WeakPolarHBondContact O-CG2 3.23Å; M128-V132 PolarHBondContact O-N 3.06Å; L129-V132 PolarHBondContact O-N 3.2Å; I130-V132 PolarHBondContact O-N 3.4Å; V132-F258 HydrophobicContact CB-CE1 4.28Å; V132-F258 HydrophobicContact CB-CZ 4Å; V132-F258 HydrophobicContact CG1-CE1 4.42Å; V132-F258 HydrophobicContact CG1-CE2 4.07Å; V132-F258 HydrophobicContact CG1-CZ 3.66Å; V132-F258 HydrophobicContact CG2-CE1 4.19Å; V132-F258 HydrophobicContact CG2-CE2 4.44Å; V132-F258 HydrophobicContact CG2-CZ 4.09Å; V132-F258 WeakPolarHBondContact O-CZ 3.38Å; V132-R262 PolarHBondContact O-NH2 2.96Å
133T95.1Very high95.4Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-91.8-6.6-178.655.70000113.3L12 F80 K81 I90 L129 N135L12-T133 HydrophobicContact CD2-CG2 4.49Å; F80-T133 CarbonylContact C-O 3.59Å; F80-T133 VanDerWaalsContact CA-O 3.22Å; F80-T133 WeakPolarHBondContact CA-O 3.49Å; F80-T133 WeakPolarHBondContact CD1-OG1 3.46Å; K81-T133 PolarHBondContact N-O 2.97Å; I90-T133 HydrophobicContact CD1-CG2 3.61Å; I90-T133 HydrophobicContact CG1-CG2 4.31Å; L129-T133 WeakPolarHBondContact O-CB 3.32Å; L129-T133 WeakPolarHBondContact O-CG2 3.32Å; L129-T133 PolarHBondContact O-N 3.37Å; L129-T133 PolarHBondContact O-OG1 3.42Å; T133-N135 PolarHBondContact O-N 3.1Å
134A94.9Very high95.4Very high7 Ų715.4 Ų15.46%0.0588%0.077CC..BIsolated β-bridgetrans-61.6127.3-179.100000111.7I130 Q139 L140I130-A134 WeakPolarHBondContact O-CB 3.08Å; I130-A134 PolarHBondContact O-N 2.89Å; A134-Q139 HydrophobicContact CB-CB 3.95Å; A134-Q139 HydrophobicContact CB-CG 3.79Å; A134-L140 HydrophobicContact CB-CB 3.88Å
135N93.3Very high95.4Very high7 Ų716.3 Ų16.34%0.0378%0.082CC..  trans-83.2-47.9163.3-166.139.6000110.2S79 K81 T133 P198 Q199S79-N135 WeakPolarHBondContact O-CB 3.26Å; S79-N135 PolarHBondContact O-N 2.71Å; S79-N135 WeakPolarHBondContact OG-CB 3.35Å; K81-N135 HydrophobicContact CB-CB 3.86Å; T133-N135 PolarHBondContact O-N 3.1Å; N135-P198 WeakPolarHBondContact O-CD 3.24Å; N135-P198 WeakPolarHBondContact O-CG 3.49Å; N135-Q199 PolarHBondContact ND2-OE1 3.01Å
136N93.3Very high95.4Very high5 Ų516.7 Ų16.73%0.0279%0.086CC..SBendtrans-82.5138.6-173.9-59.33.9000111S77 S79 F138 Q139 L140 D197S77-N136 PolarHBondContact O-ND2 3.24Å; S79-N136 PolarHBondContact OG-ND2 3.48Å; S79-N136 VanDerWaalsContact OG-ND2 3.15Å; S79-N136 PolarHBondContact OG-OD1 3.23Å; N136-F138 PolarHBondContact O-N 3.22Å; N136-Q139 HydrophobicContact CB-CB 4.47Å; N136-Q139 PolarHBondContact O-N 2.89Å; N136-L140 PolarHBondContact O-N 3.31Å; N136-D197 PolarHBondContact OD1-OD1 2.97Å
137L93.3Very high95.4Very high1 Ų115.2 Ų15.21%0.0058%0.079CC..Hα-helixtrans-56.2-33.8177.1-86.6169.7000113.6L140 F141 F182 L186 F189 W196 M201 F263L137-L140 WeakPolarHBondContact O-CB 2.88Å; L137-L140 PolarHBondContact O-N 3.02Å; L137-F141 PolarHBondContact O-N 2.71Å; L137-F182 HydrophobicContact CD2-CE1 4.33Å; L137-F182 HydrophobicContact CD2-CZ 3.83Å; L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.33Å; L137-L186 HydrophobicContact CG-CD2 4.48Å; L137-F189 HydrophobicContact CD1-CD2 3.5Å; L137-F189 VanDerWaalsContact CD1-CD2 3.5Å; L137-F189 HydrophobicContact CD1-CE2 4.06Å; L137-F189 HydrophobicContact CD1-CG 4.33Å; L137-W196 HydrophobicContact CB-CB 4.15Å; L137-W196 PolarHBondContact N-O 3.42Å; L137-M201 HydrophobicContact CD1-CE 4.04Å; L137-M201 HydrophobicContact CD1-SD 3.75Å; L137-F263 HydrophobicContact CD1-CZ 4.18Å; L137-F263 HydrophobicContact CD2-CE1 4.31Å; L137-F263 HydrophobicContact CD2-CE2 3.63Å; L137-F263 HydrophobicContact CD2-CZ 3.24Å; L137-F263 HydrophobicContact CG-CZ 3.76Å
138F94.3Very high95.4Very high59 Ų5914.5 Ų14.526%0.2598%0.075SC..Hα-helixtrans-66.7-41.9176-178.6-98.1000112.5W68 N136 L140 F141 I142 W196W68-F138 HydrophobicContact CE3-CD1 4.41Å; W68-F138 HydrophobicContact CE3-CE1 4.01Å; W68-F138 HydrophobicContact CH2-CD1 4.49Å; 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 3.59Å; W68-F138 HydrophobicContact CH2-CZ 3.59Å; W68-F138 AromaticContact CZ3-CD1 3.76Å; W68-F138 HydrophobicContact CZ3-CD1 3.76Å; W68-F138 AromaticContact CZ3-CE1 3.06Å; W68-F138 HydrophobicContact CZ3-CE1 3.06Å; W68-F138 AromaticContact CZ3-CZ 3.59Å; W68-F138 HydrophobicContact CZ3-CZ 3.59Å; N136-F138 PolarHBondContact O-N 3.22Å; F138-L140 VanDerWaalsContact C-N 3.31Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 3.11Å; F138-I142 HydrophobicContact CD1-CD1 3.87Å; F138-I142 HydrophobicContact CE1-CD1 3.42Å; F138-I142 VanDerWaalsContact CE1-CD1 3.42Å; F138-I142 HydrophobicContact CE1-CG1 4.12Å; F138-I142 HydrophobicContact CZ-CD1 4.13Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 2.91Å; F138-W196 HydrophobicContact CB-CD2 4.43Å; F138-W196 HydrophobicContact CB-CE3 3.53Å; F138-W196 HydrophobicContact CB-CZ3 3.66Å; F138-W196 HydrophobicContact CD2-CH2 4.44Å; F138-W196 HydrophobicContact CD2-CZ3 4Å; F138-W196 HydrophobicContact CG-CE3 4.31Å; F138-W196 AromaticContact CG-CZ3 3.94Å; F138-W196 HydrophobicContact CG-CZ3 3.94Å
139Q95.8Very high95.4Very high6 Ų618 Ų183%0.0289%0.093CC..Hα-helixtrans-66.2-37.7174.6-177.4178.3-23.900111.1S79 I130 A134 N136 F141 I142 G143S79-Q139 PolarHBondContact O-OE1 3.13Å; S79-Q139 VanDerWaalsContact O-OE1 3.11Å; I130-Q139 HydrophobicContact CG2-CG 3.94Å; A134-Q139 HydrophobicContact CB-CB 3.95Å; A134-Q139 HydrophobicContact CB-CG 3.79Å; N136-Q139 HydrophobicContact CB-CB 4.47Å; N136-Q139 PolarHBondContact O-N 2.89Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.98Å; Q139-I142 PolarHBondContact O-N 3.35Å; Q139-G143 PolarHBondContact O-N 2.92Å; Q139-G143 VanDerWaalsContact O-N 3.11Å
140L95.9Very high95.4Very high9 Ų919.2 Ų19.25%0.04710%0.098CC..Hα-helixtrans-60.4-43.5172.6-162.4170.5000110.2L131 A134 N136 L137 F138 I142 G143 W144 F182 F263L131-L140 HydrophobicContact CG-CD2 4.22Å; L131-L140 HydrophobicContact CG-CG 4.5Å; A134-L140 HydrophobicContact CB-CB 3.88Å; N136-L140 PolarHBondContact O-N 3.31Å; L137-L140 WeakPolarHBondContact O-CB 2.88Å; L137-L140 PolarHBondContact O-N 3.02Å; F138-L140 VanDerWaalsContact C-N 3.31Å; L140-I142 PolarHBondContact O-N 3.43Å; L140-G143 PolarHBondContact O-N 2.99Å; L140-W144 HydrophobicContact CD2-CB 4.46Å; L140-W144 HydrophobicContact CD2-CE3 4.31Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.34Å; L140-W144 PolarHBondContact O-N 2.95Å; L140-F182 HydrophobicContact CB-CZ 4.4Å; L140-F182 HydrophobicContact CD2-CE2 3.57Å; L140-F182 HydrophobicContact CD2-CZ 3.75Å; L140-F182 HydrophobicContact CG-CZ 4.49Å; L140-F263 HydrophobicContact CD1-CE2 4.49Å
141F96.6Very high95.3Very high41 Ų4117 Ų1718%0.189%0.087CC..Hα-helixtrans-61.9-39.7176-171.5-108.9000113.1L137 F138 Q139 G143 W144 E145 F182 I183 L186L137-F141 PolarHBondContact O-N 2.71Å; F138-F141 WeakPolarHBondContact O-CB 3.45Å; F138-F141 PolarHBondContact O-N 3.11Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 2.98Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 2.87Å; F141-W144 WeakPolarHBondContact O-CB 3.48Å; F141-W144 PolarHBondContact O-N 3.42Å; F141-E145 HydrophobicContact CD1-CG 4.25Å; F141-E145 HydrophobicContact CD2-CG 4.43Å; F141-E145 HydrophobicContact CE1-CG 3.77Å; F141-E145 HydrophobicContact CE2-CG 3.97Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.47Å; F141-E145 PolarHBondContact O-N 2.93Å; F141-F182 HydrophobicContact CB-CD1 4.32Å; F141-F182 HydrophobicContact CB-CE1 3.71Å; F141-F182 HydrophobicContact CB-CZ 4.24Å; 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 3.76Å; F141-F182 HydrophobicContact CD2-CE1 3.76Å; F141-F182 HydrophobicContact CD2-CG 4.1Å; F141-F182 HydrophobicContact CE2-CD1 4.21Å; F141-F182 HydrophobicContact CG-CD1 4.26Å; F141-F182 HydrophobicContact CG-CE1 4.14Å; F141-I183 HydrophobicContact CE2-CD1 4.47Å; F141-I183 HydrophobicContact CE2-CG1 4.13Å; F141-I183 HydrophobicContact CZ-CD1 4.21Å; F141-I183 HydrophobicContact CZ-CG1 4.21Å; F141-L186 HydrophobicContact CB-CD1 4.41Å; F141-L186 HydrophobicContact CD2-CD1 4.48Å; F141-L186 HydrophobicContact CG-CD1 4.34Å
142I96.6Very high95.3Very high79 Ų7920 Ų2041%0.40510%0.101SC..Hα-helixtrans-58.5-47.7173.1-69165.4000110.7F138 Q139 L140 W144 G146F138-I142 HydrophobicContact CD1-CD1 3.87Å; F138-I142 HydrophobicContact CE1-CD1 3.42Å; F138-I142 VanDerWaalsContact CE1-CD1 3.42Å; F138-I142 HydrophobicContact CE1-CG1 4.12Å; F138-I142 HydrophobicContact CZ-CD1 4.13Å; F138-I142 HydrophobicContact CZ-CG1 4.42Å; F138-I142 PolarHBondContact O-N 2.91Å; Q139-I142 PolarHBondContact O-N 3.35Å; L140-I142 PolarHBondContact O-N 3.43Å; I142-W144 VanDerWaalsContact C-N 3.33Å; I142-G146 PolarHBondContact O-N 3.47Å
143G96.5Very high95.3Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-62.4-41.5175.900000112.3T127 Q139 L140 F141 G146 V147T127-G143 WeakPolarHBondContact O-CA 3.13Å; Q139-G143 PolarHBondContact O-N 2.92Å; Q139-G143 VanDerWaalsContact O-N 3.11Å; L140-G143 PolarHBondContact O-N 2.99Å; F141-G143 VanDerWaalsContact C-N 3.35Å; F141-G143 PolarHBondContact O-N 2.87Å; G143-G146 PolarHBondContact O-N 3.26Å; G143-V147 WeakPolarHBondContact O-CB 3.2Å; G143-V147 VanDerWaalsContact O-CG2 3.28Å; G143-V147 WeakPolarHBondContact O-CG2 3.37Å; G143-V147 PolarHBondContact O-N 2.93Å
144W95.9Very high95.4Very high1 Ų122.8 Ų22.80%0.00412%0.115CC..Hα-helixtrans-60.6-47.5-179-177.8-89.8000113.2L131 L140 F141 I142 G148 D179 F182 A219 K223 A255 L259L131-W144 HydrophobicContact CD1-CB 4.31Å; L131-W144 HydrophobicContact CD1-CE3 4.26Å; L140-W144 HydrophobicContact CD2-CB 4.46Å; L140-W144 HydrophobicContact CD2-CE3 4.31Å; L140-W144 VanDerWaalsContact O-CB 3.28Å; L140-W144 WeakPolarHBondContact O-CB 3.34Å; L140-W144 PolarHBondContact O-N 2.95Å; F141-W144 WeakPolarHBondContact O-CB 3.48Å; F141-W144 PolarHBondContact O-N 3.42Å; I142-W144 VanDerWaalsContact C-N 3.33Å; W144-G148 PolarHBondContact O-N 2.88Å; W144-D179 VanDerWaalsContact CD1-OD1 3.28Å; W144-D179 PolarHBondContact NE1-OD1 3.43Å; W144-F182 HydrophobicContact CD2-CD2 4.36Å; W144-A219 HydrophobicContact CH2-CB 4.08Å; W144-A219 WeakPolarHBondContact CH2-O 3.19Å; W144-A219 HydrophobicContact CZ2-CB 3.84Å; W144-A219 WeakPolarHBondContact CZ2-O 3.46Å; W144-K223 HydrophobicContact CD2-CG 4.07Å; W144-K223 VanDerWaalsContact CE2-CE 3.44Å; W144-K223 VanDerWaalsContact CE2-CG 3.46Å; W144-K223 HydrophobicContact CE3-CG 4.25Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.32Å; W144-K223 HydrophobicContact CZ2-CB 3.95Å; W144-K223 HydrophobicContact CZ2-CD 4.18Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.29Å; W144-K223 HydrophobicContact CZ3-CG 3.9Å; W144-K223 PolarHBondContact O-NZ 3.18Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; W144-L259 HydrophobicContact CE3-CD1 4.18Å; W144-L259 HydrophobicContact CH2-CD1 3.81Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.57Å
145E96.6Very high95.4Very high19 Ų1922.5 Ų22.59%0.08911%0.113CC..Hα-helixtrans-69.1-43.9174-73.9-64.8159.800111.8F141 V147 G148 I149 R176 D179F141-E145 HydrophobicContact CD1-CG 4.25Å; F141-E145 HydrophobicContact CD2-CG 4.43Å; F141-E145 HydrophobicContact CE1-CG 3.77Å; F141-E145 HydrophobicContact CE2-CG 3.97Å; F141-E145 HydrophobicContact CZ-CG 3.62Å; F141-E145 WeakPolarHBondContact CZ-OE1 3.47Å; F141-E145 PolarHBondContact O-N 2.93Å; E145-V147 VanDerWaalsContact C-N 3.33Å; E145-V147 PolarHBondContact O-N 2.78Å; E145-G148 CarbonylContact O-C 3.5Å; E145-G148 WeakPolarHBondContact O-CA 3.48Å; E145-G148 PolarHBondContact O-N 2.91Å; E145-I149 WeakPolarHBondContact O-CG1 3.29Å; E145-I149 PolarHBondContact O-N 3.48Å; E145-R176 IonicContact OE1-CZ 3.12Å; E145-R176 IonicContact OE1-NH1 2.76Å; E145-R176 PolarHBondContact OE1-NH1 3.2Å; E145-R176 IonicContact OE1-NH2 3.09Å; E145-R176 IonicContact OE2-CZ 3.87Å; E145-R176 IonicContact OE2-NH1 3.68Å; E145-R176 PolarHBondContact OE2-NH1 3.04Å; E145-R176 IonicContact OE2-NH2 2.89Å; E145-R176 PolarHBondContact OE2-NH2 2.95Å; E145-D179 VanDerWaalsContact OE1-CG 3.27Å
146G96.3Very high95.6Very high12 Ų1223.2 Ų23.212%0.12412%0.118CC..Hα-helixtrans-57.5-44.8179.100000112.3I142 G143 G148 M150I142-G146 PolarHBondContact O-N 3.47Å; G143-G146 PolarHBondContact O-N 3.26Å; G146-G148 VanDerWaalsContact C-N 3.33Å; G146-G148 PolarHBondContact O-N 3.48Å; G146-M150 WeakPolarHBondContact O-CB 3.41Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.46Å; G146-M150 PolarHBondContact O-N 2.97Å
147V95.6Very high95.7Very high1 Ų124.1 Ų24.11%0.00612%0.121CC..Hα-helixtrans-62.6-39.7172.9169.40000111.1F124 M128 G143 E145 S151 M252F124-V147 HydrophobicContact CE2-CB 4.34Å; F124-V147 HydrophobicContact CE2-CG1 3.65Å; F124-V147 HydrophobicContact CZ-CG1 3.77Å; M128-V147 HydrophobicContact CB-CG2 4.13Å; M128-V147 HydrophobicContact SD-CG2 4.23Å; G143-V147 WeakPolarHBondContact O-CB 3.2Å; G143-V147 VanDerWaalsContact O-CG2 3.28Å; G143-V147 WeakPolarHBondContact O-CG2 3.37Å; G143-V147 PolarHBondContact O-N 2.93Å; E145-V147 VanDerWaalsContact C-N 3.33Å; E145-V147 PolarHBondContact O-N 2.78Å; V147-S151 WeakPolarHBondContact O-CB 3.35Å; V147-S151 PolarHBondContact O-N 2.98Å; V147-M252 HydrophobicContact CG1-CB 3.83Å; V147-M252 HydrophobicContact CG1-CG 3.88Å
148G94.9Very high95.8Very high1 Ų127.6 Ų27.61%0.0113%0.134CC..Hα-helixtrans-62.6-49.2176.900000113.5W144 E145 G146 S151 F152W144-G148 PolarHBondContact O-N 2.88Å; E145-G148 CarbonylContact O-C 3.5Å; E145-G148 WeakPolarHBondContact O-CA 3.48Å; E145-G148 PolarHBondContact O-N 2.91Å; G146-G148 VanDerWaalsContact C-N 3.33Å; G146-G148 PolarHBondContact O-N 3.48Å; G148-S151 PolarHBondContact O-N 3.2Å; G148-S151 PolarHBondContact O-OG 3.28Å; G148-F152 PolarHBondContact O-N 2.9Å; G148-F152 VanDerWaalsContact O-N 3.12Å
149I95.4Very high95.7Very high77 Ų7733.1 Ų33.140%0.39515%0.154SC..Hα-helixtrans-67.2-42.8-179.1-63.9165.2000110.7E145 S151 F152 L153E145-I149 WeakPolarHBondContact O-CG1 3.29Å; E145-I149 PolarHBondContact O-N 3.48Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.84Å; I149-F152 WeakPolarHBondContact O-CB 3.46Å; I149-F152 PolarHBondContact O-N 3.12Å; I149-L153 PolarHBondContact O-N 3.43Å; I149-L153 VanDerWaalsContact O-N 3.15Å
150M95.6Very high95.6Very high29 Ų2937.3 Ų37.314%0.14319%0.19CC..Hα-helixtrans-65.8-34.6177.4-67.2-59.9134.800111.7I123 F124 G146 F152 L153 L154I123-M150 HydrophobicContact CB-SD 4Å; I123-M150 HydrophobicContact CG2-CE 3.68Å; I123-M150 HydrophobicContact CG2-CG 3.89Å; I123-M150 HydrophobicContact CG2-SD 3.58Å; I123-M150 VanDerWaalsContact CG2-SD 3.58Å; F124-M150 HydrophobicContact CB-CB 3.93Å; F124-M150 HydrophobicContact CB-CG 4.38Å; F124-M150 HydrophobicContact CD2-CB 3.66Å; F124-M150 HydrophobicContact CG-CB 4.28Å; G146-M150 WeakPolarHBondContact O-CB 3.41Å; G146-M150 VanDerWaalsContact O-CG 3.25Å; G146-M150 WeakPolarHBondContact O-CG 3.46Å; G146-M150 PolarHBondContact O-N 2.97Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.25Å; M150-L153 HydrophobicContact CE-CD1 4.3Å; M150-L153 PolarHBondContact O-N 2.61Å; M150-L153 HydrophobicContact SD-CD1 4.25Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.22Å; M150-L154 PolarHBondContact O-N 2.76Å
151S94.4Very high95.6Very high1 Ų143.3 Ų43.31%0.00721%0.212CC..Hα-helixtrans-62.4-40.5172.876.50000112.3V147 G148 I149 L153 L154 I155 M252V147-S151 WeakPolarHBondContact O-CB 3.35Å; V147-S151 PolarHBondContact O-N 2.98Å; G148-S151 PolarHBondContact O-N 3.2Å; G148-S151 PolarHBondContact O-OG 3.28Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 2.84Å; S151-L153 PolarHBondContact O-N 2.7Å; S151-L154 PolarHBondContact O-N 3.48Å; S151-I155 WeakPolarHBondContact O-CB 3.16Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 WeakPolarHBondContact O-CG1 3.38Å; S151-I155 PolarHBondContact O-N 2.93Å; S151-M252 WeakPolarHBondContact CB-SD 3.34Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.48Å
152F95.4Very high95.6Very high66 Ų6644.6 Ų44.629%0.28923%0.23SC..Hα-helixtrans-59-49.1175.9168.9-95.1000111.4G148 I149 M150 L154 I155 S156 A168 I169 I172G148-F152 PolarHBondContact O-N 2.9Å; G148-F152 VanDerWaalsContact O-N 3.12Å; I149-F152 WeakPolarHBondContact O-CB 3.46Å; I149-F152 PolarHBondContact O-N 3.12Å; M150-F152 VanDerWaalsContact C-N 3.34Å; M150-F152 PolarHBondContact O-N 3.25Å; F152-L154 VanDerWaalsContact C-N 3.35Å; F152-L154 PolarHBondContact O-N 3.42Å; F152-I155 PolarHBondContact O-N 2.67Å; F152-S156 WeakPolarHBondContact O-CB 3.48Å; F152-S156 PolarHBondContact O-N 2.82Å; F152-A168 HydrophobicContact CD2-CB 3.62Å; F152-A168 WeakPolarHBondContact CD2-O 3.39Å; F152-A168 HydrophobicContact CE2-CB 3.79Å; F152-A168 HydrophobicContact CG-CB 4.43Å; F152-I169 HydrophobicContact CE2-CG1 4.19Å; F152-I172 HydrophobicContact CD2-CB 4.49Å; F152-I172 HydrophobicContact CD2-CG2 4.29Å
153L96.4Very high95.5Very high55 Ų5546 Ų4629%0.28824%0.239SC..Hα-helixtrans-65-36.2179.4-66175000112.9Y120 I149 M150 S151 S156 W157Y120-L153 HydrophobicContact CD2-CB 4.49Å; Y120-L153 HydrophobicContact CE2-CB 4.41Å; I149-L153 PolarHBondContact O-N 3.43Å; I149-L153 VanDerWaalsContact O-N 3.15Å; M150-L153 HydrophobicContact CE-CD1 4.3Å; M150-L153 PolarHBondContact O-N 2.61Å; M150-L153 HydrophobicContact SD-CD1 4.25Å; S151-L153 PolarHBondContact O-N 2.7Å; L153-S156 CarbonylContact O-C 3.5Å; L153-W157 PolarHBondContact O-N 2.84Å
154L96.1Very high95.4Very high3 Ų346.1 Ų46.12%0.01624%0.239CC..Hα-helixtrans-79.2-32-178.8-72.1173.6000113F117 Y120 F124 M150 S151 F152 V243F117-L154 HydrophobicContact CD2-CD2 4.4Å; F117-L154 HydrophobicContact CE2-CD2 4.28Å; Y120-L154 HydrophobicContact CD2-CD2 4.37Å; F124-L154 HydrophobicContact CB-CD1 4.27Å; F124-L154 HydrophobicContact CD2-CD1 4.29Å; F124-L154 HydrophobicContact CG-CD1 4.37Å; M150-L154 WeakPolarHBondContact O-CB 3.38Å; M150-L154 VanDerWaalsContact O-CG 3.28Å; M150-L154 WeakPolarHBondContact O-CG 3.22Å; M150-L154 PolarHBondContact O-N 2.76Å; S151-L154 PolarHBondContact O-N 3.48Å; F152-L154 VanDerWaalsContact C-N 3.35Å; F152-L154 PolarHBondContact O-N 3.42Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.61Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.45Å; L154-V243 HydrophobicContact CD1-CG2 4.37Å; L154-V243 HydrophobicContact CD2-CG2 3.9Å; L154-V243 HydrophobicContact CG-CG2 4.27Å
155I96.3Very high95.4Very high1 Ų148.4 Ų48.41%0.00525%0.252CS..Hα-helixtrans-69.7-44.8172.4-65.8163.7000109.6S151 F152 W157 A167 A168 A171 A236 L247S151-I155 WeakPolarHBondContact O-CB 3.16Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 WeakPolarHBondContact O-CG1 3.38Å; S151-I155 PolarHBondContact O-N 2.93Å; F152-I155 PolarHBondContact O-N 2.67Å; I155-W157 PolarHBondContact O-N 3.12Å; I155-W157 VanDerWaalsContact O-N 3.11Å; I155-A167 HydrophobicContact CG2-CB 4.12Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.99Å; I155-A171 HydrophobicContact CD1-CB 3.97Å; I155-A236 HydrophobicContact CD1-CB 3.76Å; I155-A236 HydrophobicContact CG1-CB 4.19Å; I155-L247 HydrophobicContact CD1-CD1 4.48Å; I155-L247 HydrophobicContact CG1-CD1 4.23Å
156S96Very high95.4Very high21 Ų2151.6 Ų51.615%0.14727%0.272CS..THydrogen-bonded Turntrans-8335.1175.8-175.20000112.6F152 L153 Y159 N165F152-S156 WeakPolarHBondContact O-CB 3.48Å; F152-S156 PolarHBondContact O-N 2.82Å; L153-S156 CarbonylContact O-C 3.5Å; S156-Y159 PolarHBondContact O-N 3.23Å; S156-N165 PolarHBondContact OG-OD1 3.49Å
157W95.9Very high95.4Very high25 Ų2551.1 Ų51.110%0.09527%0.267CS..THydrogen-bonded Turntrans-61.6-48.9179.1-179.7-107.1000111.5D111 N113 Q116 F117 Y120 L153 I155 Y159 P240D111-W157 PolarHBondContact OD2-NE1 2.97Å; N113-W157 HydrophobicContact CB-CH2 4.12Å; N113-W157 HydrophobicContact CB-CZ2 4.01Å; N113-W157 WeakPolarHBondContact O-CH2 3.49Å; Q116-W157 HydrophobicContact CB-CH2 4.09Å; Q116-W157 HydrophobicContact CG-CH2 4.18Å; Q116-W157 HydrophobicContact CG-CZ3 4.19Å; F117-W157 HydrophobicContact CB-CH2 3.64Å; F117-W157 HydrophobicContact CB-CZ2 3.82Å; F117-W157 HydrophobicContact CB-CZ3 4.13Å; F117-W157 HydrophobicContact CD2-CD2 4.05Å; F117-W157 HydrophobicContact CD2-CE3 4.15Å; F117-W157 HydrophobicContact CD2-CH2 4.41Å; F117-W157 HydrophobicContact CD2-CZ2 4.3Å; F117-W157 HydrophobicContact CD2-CZ3 4.32Å; Y120-W157 HydrophobicContact CD2-CE3 4.29Å; Y120-W157 AromaticContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CD2-CZ3 3.84Å; Y120-W157 HydrophobicContact CE2-CE3 4.49Å; Y120-W157 AromaticContact CE2-CZ3 3.97Å; Y120-W157 HydrophobicContact CE2-CZ3 3.97Å; L153-W157 PolarHBondContact O-N 2.84Å; I155-W157 PolarHBondContact O-N 3.12Å; I155-W157 VanDerWaalsContact O-N 3.11Å; W157-Y159 VanDerWaalsContact C-N 3.29Å; W157-Y159 PolarHBondContact O-N 3.44Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; W157-P240 HydrophobicContact CB-CG 4.33Å
158W94.7Very high95.4Very high74 Ų7451 Ų5128%0.2827%0.267SS..THydrogen-bonded Turntrans-88.569.6172.2-60.7-51.3000110.5A160 R161 P240W158-A160 PolarHBondContact O-N 3.43Å; W158-R161 HydrophobicContact CB-CG 4.4Å; W158-R161 PolarHBondContact O-N 2.93Å; W158-P240 HydrophobicContact CH2-CB 4.07Å; W158-P240 HydrophobicContact CZ2-CB 4.43Å
159Y93.4Very high95.4Very high174 Ų17455.6 Ų55.668%0.68229%0.29SS*.THydrogen-bonded Turntrans-55.4-17.9-175.959.5-94.4000115.2S156 W157 R161 N165S156-Y159 PolarHBondContact O-N 3.23Å; W157-Y159 VanDerWaalsContact C-N 3.29Å; W157-Y159 PolarHBondContact O-N 3.44Å; W157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; Y159-N165 PolarHBondContact O-ND2 2.76Å; Y159-N165 PolarHBondContact O-OD1 3.27Å
160A94.2Very high95.4Very high94 Ų9453.5 Ų53.578%0.77728%0.278SS*.THydrogen-bonded Turntrans-72.2-21.2174.300000113.2W158W158-A160 PolarHBondContact O-N 3.43Å
161R94.3Very high95.3Very high136 Ų13652.1 Ų52.151%0.51327%0.272SS..  trans-83.4118.6177.6-65.9-174.2-178-177.72.2110W158 Y159 D163 A164 N165W158-R161 HydrophobicContact CB-CG 4.4Å; W158-R161 PolarHBondContact O-N 2.93Å; Y159-R161 VanDerWaalsContact C-N 3.29Å; R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.07Å; R161-A164 HydrophobicContact CB-CB 4.04Å; R161-A164 PolarHBondContact O-N 2.97Å; R161-N165 PolarHBondContact O-N 3.18Å
162A96.3Very high95.4Very high68 Ų6853.8 Ų53.856%0.56228%0.28SS*.Hα-helixtrans-57.2-41.717800000112A164 N165 T166A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.14Å; A162-N165 PolarHBondContact O-N 2.9Å; A162-N165 VanDerWaalsContact O-N 3.16Å; A162-T166 WeakPolarHBondContact O-CG2 3.28Å; A162-T166 PolarHBondContact O-N 3.03Å; A162-T166 PolarHBondContact O-OG1 3.27Å
163D94.9Very high95.4Very high109 Ų10955.3 Ų55.358%0.58329%0.291SS*.Hα-helixtrans-64.1-34.1-179.9-60.6-37000113.2R161 T166 A167R161-D163 VanDerWaalsContact C-N 3.28Å; R161-D163 PolarHBondContact O-N 3.07Å; D163-T166 WeakPolarHBondContact CA-OG1 3.41Å; D163-T166 PolarHBondContact O-OG1 3.11Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 2.66Å
164A94.9Very high95.4Very high1 Ų153.6 Ų53.61%0.00828%0.281CS..Hα-helixtrans-69.1-38.3175.500000111.2R161 A162 A168 E238R161-A164 HydrophobicContact CB-CB 4.04Å; R161-A164 PolarHBondContact O-N 2.97Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 3.14Å; A164-A168 WeakPolarHBondContact O-CB 3.27Å; A164-A168 PolarHBondContact O-N 3.38Å; A164-E238 HydrophobicContact CB-CB 4.39Å
165N95.9Very high95.3Very high50 Ų5053.5 Ų53.527%0.26728%0.28SS..Hα-helixtrans-70.2-42.2177.8-65-14.7000111.6S156 Y159 R161 A162 A168 I169S156-N165 PolarHBondContact OG-OD1 3.49Å; Y159-N165 PolarHBondContact O-ND2 2.76Å; Y159-N165 PolarHBondContact O-OD1 3.27Å; R161-N165 PolarHBondContact O-N 3.18Å; A162-N165 PolarHBondContact O-N 2.9Å; A162-N165 VanDerWaalsContact O-N 3.16Å; N165-A168 PolarHBondContact O-N 3.28Å; N165-I169 VanDerWaalsContact O-CG1 3.3Å; N165-I169 WeakPolarHBondContact O-CG1 3.35Å; N165-I169 PolarHBondContact O-N 3.19Å
166T96.2Very high95.3Very high85 Ų8558.4 Ų58.452%0.52130%0.299SS..Hα-helixtrans-64-42.2175.557.60000110.8A162 D163 A168 I169 Q170A162-T166 WeakPolarHBondContact O-CG2 3.28Å; A162-T166 PolarHBondContact O-N 3.03Å; A162-T166 PolarHBondContact O-OG1 3.27Å; D163-T166 WeakPolarHBondContact CA-OG1 3.41Å; D163-T166 PolarHBondContact O-OG1 3.11Å; T166-A168 PolarHBondContact O-N 3.04Å; T166-I169 PolarHBondContact O-N 3.18Å; T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.46Å; T166-Q170 PolarHBondContact O-N 3.04Å
167A95.8Very high95.3Very high2 Ų260.1 Ų60.12%0.01731%0.306CS..Hα-helixtrans-61.4-41.8174.500000112.9I155 D163 Q170 A171 S235 E238I155-A167 HydrophobicContact CG2-CB 4.12Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.35Å; D163-A167 PolarHBondContact O-N 2.66Å; A167-Q170 WeakPolarHBondContact O-CB 2.97Å; A167-Q170 PolarHBondContact O-N 3.3Å; A167-A171 PolarHBondContact O-N 3.06Å; A167-S235 WeakPolarHBondContact CB-O 3.47Å; A167-E238 HydrophobicContact CB-CG 4.48Å
168A95.9Very high95.3Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-66.1-45.2177.300000112F152 I155 A164 N165 T166 Q170 A171 I172F152-A168 HydrophobicContact CD2-CB 3.62Å; F152-A168 WeakPolarHBondContact CD2-O 3.39Å; F152-A168 HydrophobicContact CE2-CB 3.79Å; F152-A168 HydrophobicContact CG-CB 4.43Å; I155-A168 HydrophobicContact CB-CB 4.16Å; I155-A168 HydrophobicContact CG2-CB 3.99Å; A164-A168 WeakPolarHBondContact O-CB 3.27Å; A164-A168 PolarHBondContact O-N 3.38Å; N165-A168 PolarHBondContact O-N 3.28Å; T166-A168 PolarHBondContact O-N 3.04Å; A168-Q170 VanDerWaalsContact C-N 3.28Å; A168-Q170 PolarHBondContact O-N 3.17Å; A168-A171 PolarHBondContact O-N 3.08Å; A168-I172 PolarHBondContact O-N 3.44Å; A168-I172 VanDerWaalsContact O-N 3.09Å
169I95.1Very high95.4Very high96 Ų9655.6 Ų55.649%0.49229%0.289SS..Hα-helixtrans-61.9-39.5175.3-68.3168.2000110.7F152 N165 T166 I172 L173F152-I169 HydrophobicContact CE2-CG1 4.19Å; N165-I169 VanDerWaalsContact O-CG1 3.3Å; N165-I169 WeakPolarHBondContact O-CG1 3.35Å; N165-I169 PolarHBondContact O-N 3.19Å; T166-I169 PolarHBondContact O-N 3.18Å; I169-I172 WeakPolarHBondContact O-CG2 3.34Å; I169-I172 PolarHBondContact O-N 3.39Å; I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 PolarHBondContact O-N 3.37Å
170Q95Very high95.6Very high33 Ų3352.7 Ų52.715%0.15428%0.284CS..Hα-helixtrans-60.3-48.6175.7-172.1-168.9-16.200110.6T166 A167 A168 I172 L173 Y174 P231 W232 S235 H534T166-Q170 VanDerWaalsContact O-CB 3.24Å; T166-Q170 WeakPolarHBondContact O-CB 3.46Å; T166-Q170 PolarHBondContact O-N 3.04Å; A167-Q170 WeakPolarHBondContact O-CB 2.97Å; A167-Q170 PolarHBondContact O-N 3.3Å; A168-Q170 VanDerWaalsContact C-N 3.28Å; A168-Q170 PolarHBondContact O-N 3.17Å; Q170-I172 PolarHBondContact O-N 2.69Å; Q170-L173 PolarHBondContact O-N 3.36Å; 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 3.42Å; Q170-Y174 PolarHBondContact O-N 3.14Å; Q170-P231 PolarHBondContact NE2-O 3.45Å; Q170-W232 HydrophobicContact CG-CB 4.31Å; Q170-S235 VanDerWaalsContact CD-OG 3.29Å; Q170-S235 PolarHBondContact NE2-OG 3.02Å; Q170-S235 PolarHBondContact OE1-OG 3.34Å; Q170-H534 PolarHBondContact NE2-CE1 3.16Å
171A94.6Very high95.7Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-60.1-4317900000113I155 A167 A168 N175 W232I155-A171 HydrophobicContact CD1-CB 3.97Å; A167-A171 PolarHBondContact O-N 3.06Å; A168-A171 PolarHBondContact O-N 3.08Å; A171-N175 WeakPolarHBondContact O-CB 3.16Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.08Å; A171-N175 PolarHBondContact O-ND2 2.92Å; 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
172I95.8Very high95.8Very high37 Ų3741.8 Ų41.819%0.1922%0.223CC..Hα-helixtrans-65.7-40176.6-171.365000111.5F152 A168 I169 Q170 N175 R176F152-I172 HydrophobicContact CD2-CB 4.49Å; F152-I172 HydrophobicContact CD2-CG2 4.29Å; A168-I172 PolarHBondContact O-N 3.44Å; A168-I172 VanDerWaalsContact O-N 3.09Å; I169-I172 WeakPolarHBondContact O-CG2 3.34Å; I169-I172 PolarHBondContact O-N 3.39Å; Q170-I172 PolarHBondContact O-N 2.69Å; I172-N175 PolarHBondContact O-N 3.4Å; I172-R176 HydrophobicContact CD1-CG 4.3Å; I172-R176 HydrophobicContact CG1-CG 4.15Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 WeakPolarHBondContact O-CG 3.2Å; I172-R176 PolarHBondContact O-N 2.88Å
173L95.7Very high95.8Very high98 Ų9842.7 Ų42.751%0.51322%0.217SC..Hα-helixtrans-62-48.8179.5-165.9165.2000111.4I169 Q170 N175 R176 I177I169-L173 WeakPolarHBondContact O-CB 3.34Å; I169-L173 PolarHBondContact O-N 3.37Å; Q170-L173 PolarHBondContact O-N 3.36Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.07Å; L173-R176 WeakPolarHBondContact O-CB 3.13Å; L173-R176 PolarHBondContact O-N 3Å; L173-I177 HydrophobicContact CD2-CD1 3.63Å; L173-I177 HydrophobicContact CD2-CG1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.45Å; L173-I177 PolarHBondContact O-N 3.42Å; L173-I177 VanDerWaalsContact O-N 3.07Å
174Y95.6Very high95.8Very high18 Ų1842 Ų427%0.07121%0.213CC..Hα-helixtrans-63.6-38.5177.9-79.1-72.5000112.8Q170 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 3.42Å; Q170-Y174 PolarHBondContact O-N 3.14Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; Y174-I177 HydrophobicContact CD1-CD1 4.48Å; Y174-I177 PolarHBondContact O-N 3.09Å; Y174-G178 PolarHBondContact O-N 3.02Å; Y174-L229 HydrophobicContact CD1-CB 3.79Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.36Å; Y174-L229 HydrophobicContact CE1-CD2 3.85Å; Y174-W232 VanDerWaalsContact CB-CD1 3.5Å; Y174-W232 HydrophobicContact CD2-CB 3.69Å; Y174-W232 HydrophobicContact CD2-CG 4.29Å; Y174-W232 HydrophobicContact CE2-CB 4.4Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.85Å; Y174-W232 HydrophobicContact CG-CG 4.41Å; Y174-H534 AromaticContact CE2-NE2 3.84Å; Y174-H534 AromaticContact CZ-NE2 3.77Å; Y174-H534 PolarHBondContact OH-CD2 2.95Å; Y174-H534 PolarHBondContact OH-NE2 3.35Å
175N94.9Very high95.8Very high1 Ų142 Ų421%0.00521%0.213CC..Hα-helixtrans-63.1-42.7174.2-70.7-23.9000111.5A171 I172 L173 I177 G178 D179 K223 M252A171-N175 WeakPolarHBondContact O-CB 3.16Å; A171-N175 PolarHBondContact O-N 3.31Å; A171-N175 VanDerWaalsContact O-N 3.08Å; A171-N175 PolarHBondContact O-ND2 2.92Å; A171-N175 VanDerWaalsContact O-ND2 3.1Å; I172-N175 PolarHBondContact O-N 3.4Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.07Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 2.91Å; N175-G178 CarbonylContact O-C 3.28Å; N175-G178 VanDerWaalsContact O-CA 3.3Å; N175-G178 WeakPolarHBondContact O-CA 3.4Å; N175-G178 PolarHBondContact O-N 3.24Å; N175-D179 PolarHBondContact O-N 3.44Å; N175-D179 VanDerWaalsContact O-OD1 3.07Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.29Å; N175-M252 WeakPolarHBondContact ND2-CE 3.36Å
176R96.4Very high95.7Very high105 Ų10540.6 Ų40.640%0.39621%0.205SC..Hα-helixtrans-60.9-35.7177.5-70.1-79.4172.5-139.2-2.2113E145 I172 L173 Y174 G178 D179 I180E145-R176 IonicContact OE1-CZ 3.12Å; E145-R176 IonicContact OE1-NH1 2.76Å; E145-R176 PolarHBondContact OE1-NH1 3.2Å; E145-R176 IonicContact OE1-NH2 3.09Å; E145-R176 IonicContact OE2-CZ 3.87Å; E145-R176 IonicContact OE2-NH1 3.68Å; E145-R176 PolarHBondContact OE2-NH1 3.04Å; E145-R176 IonicContact OE2-NH2 2.89Å; E145-R176 PolarHBondContact OE2-NH2 2.95Å; I172-R176 HydrophobicContact CD1-CG 4.3Å; I172-R176 HydrophobicContact CG1-CG 4.15Å; I172-R176 WeakPolarHBondContact O-CB 3.39Å; I172-R176 WeakPolarHBondContact O-CG 3.2Å; I172-R176 PolarHBondContact O-N 2.88Å; L173-R176 WeakPolarHBondContact O-CB 3.13Å; L173-R176 PolarHBondContact O-N 3Å; Y174-R176 VanDerWaalsContact C-N 3.35Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.46Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 3.01Å; R176-D179 WeakPolarHBondContact CD-OD2 3.35Å; R176-D179 IonicContact CZ-OD2 3.65Å; R176-D179 IonicContact NE-OD2 2.74Å; R176-D179 IonicContact NH1-OD2 2.64Å; R176-D179 PolarHBondContact NH1-OD2 3.07Å; R176-D179 WeakPolarHBondContact O-CB 3.43Å; R176-D179 PolarHBondContact O-N 2.83Å; R176-I180 PolarHBondContact O-N 3.44Å
177I96.6Very high95.6Very high57 Ų5738.7 Ų38.729%0.29220%0.198SC..Hα-helixtrans-61.8-40.8171.3-65.2167.8000110.7L173 Y174 N175 I180 L229L173-I177 HydrophobicContact CD2-CD1 3.63Å; L173-I177 HydrophobicContact CD2-CG1 4.21Å; L173-I177 WeakPolarHBondContact O-CG1 3.45Å; L173-I177 PolarHBondContact O-N 3.42Å; L173-I177 VanDerWaalsContact O-N 3.07Å; Y174-I177 HydrophobicContact CD1-CD1 4.48Å; Y174-I177 PolarHBondContact O-N 3.09Å; N175-I177 VanDerWaalsContact C-N 3.29Å; N175-I177 PolarHBondContact O-N 2.91Å; I177-I180 WeakPolarHBondContact O-CB 3.28Å; I177-I180 PolarHBondContact O-N 3.42Å; I177-L229 HydrophobicContact CB-CD2 4.44Å; I177-L229 HydrophobicContact CD1-CD2 4.07Å; I177-L229 HydrophobicContact CG2-CD1 4.03Å; I177-L229 HydrophobicContact CG2-CD2 4Å
178G95.9Very high95.4Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-65-38.9172.600000113Y174 N175 R176 I180 G181 F182 A219Y174-G178 PolarHBondContact O-N 3.02Å; N175-G178 CarbonylContact O-C 3.28Å; N175-G178 VanDerWaalsContact O-CA 3.3Å; N175-G178 WeakPolarHBondContact O-CA 3.4Å; N175-G178 PolarHBondContact O-N 3.24Å; R176-G178 VanDerWaalsContact C-N 3.29Å; R176-G178 PolarHBondContact O-N 3.46Å; G178-I180 PolarHBondContact O-N 3.08Å; G178-G181 WeakPolarHBondContact O-CA 3.02Å; G178-G181 PolarHBondContact O-N 3.42Å; G178-F182 PolarHBondContact O-N 2.87Å; G178-F182 VanDerWaalsContact O-N 3.12Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.43Å; G178-A219 WeakPolarHBondContact O-CB 3.41Å
179D96.2Very high95.2Very high3 Ų340.6 Ų40.62%0.01621%0.205CC..Hα-helixtrans-61.2-32.2179.6-54.8-22.6000111.7W144 E145 N175 R176 G181 F182 I183W144-D179 VanDerWaalsContact CD1-OD1 3.28Å; W144-D179 PolarHBondContact NE1-OD1 3.43Å; E145-D179 VanDerWaalsContact OE1-CG 3.27Å; N175-D179 PolarHBondContact O-N 3.44Å; N175-D179 VanDerWaalsContact O-OD1 3.07Å; R176-D179 VanDerWaalsContact CA-OD2 3.29Å; R176-D179 WeakPolarHBondContact CA-OD2 3.01Å; R176-D179 WeakPolarHBondContact CD-OD2 3.35Å; R176-D179 IonicContact CZ-OD2 3.65Å; R176-D179 IonicContact NE-OD2 2.74Å; R176-D179 IonicContact NH1-OD2 2.64Å; R176-D179 PolarHBondContact NH1-OD2 3.07Å; R176-D179 WeakPolarHBondContact O-CB 3.43Å; R176-D179 PolarHBondContact O-N 2.83Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.25Å; D179-F182 PolarHBondContact O-N 3Å; D179-F182 VanDerWaalsContact O-N 3.16Å; D179-I183 WeakPolarHBondContact O-CB 3.34Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 3.01Å
180I97.3Very high95Very high114 Ų11438.2 Ų38.259%0.58519%0.193SC*.Hα-helixtrans-56.4-43.9172.2-63.4167.5000110.5R176 I177 G178 L184R176-I180 PolarHBondContact O-N 3.44Å; I177-I180 WeakPolarHBondContact O-CB 3.28Å; I177-I180 PolarHBondContact O-N 3.42Å; G178-I180 PolarHBondContact O-N 3.08Å; I180-L184 WeakPolarHBondContact O-CB 3.39Å; I180-L184 PolarHBondContact O-N 3.35Å
181G96.3Very high94.8Very high1 Ų143.2 Ų43.21%0.0122%0.22CC..Hα-helixtrans-67.1-39.3176.700000112.9G178 D179 L184 A185 G215G178-G181 WeakPolarHBondContact O-CA 3.02Å; G178-G181 PolarHBondContact O-N 3.42Å; D179-G181 VanDerWaalsContact C-N 3.27Å; D179-G181 PolarHBondContact O-N 3.25Å; G181-L184 WeakPolarHBondContact O-CB 3.33Å; G181-L184 PolarHBondContact O-N 3.02Å; G181-A185 PolarHBondContact O-N 3.03Å; G181-A185 VanDerWaalsContact O-N 3.08Å; G181-G215 CarbonylContact C-O 3.58Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.03Å; G181-G215 CarbonylContact O-C 3.2Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.25Å; G181-G215 WeakPolarHBondContact O-CA 3.28Å
182F96Very high94.5Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-65.1-46177-164.5-72.7000111.5L137 L140 F141 W144 G178 D179 L184 A185 L186 A219 L259L137-F182 HydrophobicContact CD2-CE1 4.33Å; L137-F182 HydrophobicContact CD2-CZ 3.83Å; L140-F182 HydrophobicContact CB-CZ 4.4Å; L140-F182 HydrophobicContact CD2-CE2 3.57Å; L140-F182 HydrophobicContact CD2-CZ 3.75Å; L140-F182 HydrophobicContact CG-CZ 4.49Å; F141-F182 HydrophobicContact CB-CD1 4.32Å; F141-F182 HydrophobicContact CB-CE1 3.71Å; F141-F182 HydrophobicContact CB-CZ 4.24Å; 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 3.76Å; F141-F182 HydrophobicContact CD2-CE1 3.76Å; F141-F182 HydrophobicContact CD2-CG 4.1Å; F141-F182 HydrophobicContact CE2-CD1 4.21Å; F141-F182 HydrophobicContact CG-CD1 4.26Å; F141-F182 HydrophobicContact CG-CE1 4.14Å; W144-F182 HydrophobicContact CD2-CD2 4.36Å; G178-F182 PolarHBondContact O-N 2.87Å; G178-F182 VanDerWaalsContact O-N 3.12Å; D179-F182 PolarHBondContact O-N 3Å; D179-F182 VanDerWaalsContact O-N 3.16Å; F182-L184 VanDerWaalsContact C-N 3.32Å; F182-L184 PolarHBondContact O-N 3.47Å; F182-A185 WeakPolarHBondContact O-CB 3.35Å; F182-A185 PolarHBondContact O-N 3.32Å; F182-L186 HydrophobicContact CD1-CD1 3.67Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 3.62Å; F182-L186 HydrophobicContact CE1-CD2 4.32Å; F182-L186 HydrophobicContact CE1-CG 3.72Å; F182-L186 PolarHBondContact O-N 3.17Å; F182-A219 HydrophobicContact CB-CB 3.93Å; F182-A219 HydrophobicContact CD2-CB 4.27Å; F182-L259 HydrophobicContact CD2-CD1 3.47Å; F182-L259 VanDerWaalsContact CD2-CD1 3.47Å; F182-L259 HydrophobicContact CE2-CD1 3.38Å; F182-L259 HydrophobicContact CE2-CG 4.46Å
183I96.6Very high94.1Very high87 Ų8747.5 Ų47.545%0.44624%0.24SC..Hα-helixtrans-65.6-37.6178.3-66.7166.5000110.6F141 D179 A185 L186 A187F141-I183 HydrophobicContact CE2-CD1 4.47Å; F141-I183 HydrophobicContact CE2-CG1 4.13Å; F141-I183 HydrophobicContact CZ-CD1 4.21Å; F141-I183 HydrophobicContact CZ-CG1 4.21Å; D179-I183 WeakPolarHBondContact O-CB 3.34Å; D179-I183 VanDerWaalsContact O-CG1 3.28Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 3.01Å; I183-A185 VanDerWaalsContact C-N 3.31Å; I183-A185 PolarHBondContact O-N 2.96Å; I183-L186 WeakPolarHBondContact O-CB 3.36Å; I183-L186 PolarHBondContact O-N 3.42Å; I183-A187 WeakPolarHBondContact O-CB 3.41Å; I183-A187 PolarHBondContact O-N 2.95Å
184L95.4Very high93.8Very high94 Ų9446.4 Ų46.449%0.49223%0.234SC..Hα-helixtrans-58.2-44.4172.5-177.871.5000111.3I180 G181 F182 A187 W188I180-L184 WeakPolarHBondContact O-CB 3.39Å; I180-L184 PolarHBondContact O-N 3.35Å; G181-L184 WeakPolarHBondContact O-CB 3.33Å; G181-L184 PolarHBondContact O-N 3.02Å; F182-L184 VanDerWaalsContact C-N 3.32Å; F182-L184 PolarHBondContact O-N 3.47Å; L184-A187 PolarHBondContact O-N 3.08Å; L184-W188 WeakPolarHBondContact O-CB 3.32Å; L184-W188 PolarHBondContact O-N 3.17Å
185A93.8Very high93.5Very high1 Ų145.9 Ų45.91%0.00823%0.234CC..Hα-helixtrans-64.6-45.6176.500000111.8G181 F182 I183 A187 W188 F189 P212 L216G181-A185 PolarHBondContact O-N 3.03Å; G181-A185 VanDerWaalsContact O-N 3.08Å; F182-A185 WeakPolarHBondContact O-CB 3.35Å; F182-A185 PolarHBondContact O-N 3.32Å; I183-A185 VanDerWaalsContact C-N 3.31Å; I183-A185 PolarHBondContact O-N 2.96Å; A185-A187 PolarHBondContact O-N 3.44Å; A185-W188 PolarHBondContact O-N 3.41Å; A185-F189 HydrophobicContact CB-CD2 4.33Å; A185-F189 HydrophobicContact CB-CE2 3.96Å; A185-F189 WeakPolarHBondContact O-CD2 2.94Å; A185-F189 WeakPolarHBondContact O-CG 3.36Å; A185-F189 PolarHBondContact O-N 2.86Å; A185-P212 HydrophobicContact CB-CB 4.35Å; A185-L216 HydrophobicContact CB-CD2 3.89Å; A185-L216 HydrophobicContact CB-CG 3.92Å
186L93.8Very high93.3Very high20 Ų2048 Ų4811%0.10524%0.242CC..Hα-helixtrans-54.8-48.1174.2-84.5171.1000112.5L137 F141 F182 I183 W188 F189 I190 W196L137-L186 HydrophobicContact CB-CD2 3.54Å; L137-L186 HydrophobicContact CD1-CD2 4.33Å; L137-L186 HydrophobicContact CG-CD2 4.48Å; F141-L186 HydrophobicContact CB-CD1 4.41Å; F141-L186 HydrophobicContact CD2-CD1 4.48Å; F141-L186 HydrophobicContact CG-CD1 4.34Å; F182-L186 HydrophobicContact CD1-CD1 3.67Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 3.62Å; F182-L186 HydrophobicContact CE1-CD2 4.32Å; F182-L186 HydrophobicContact CE1-CG 3.72Å; F182-L186 PolarHBondContact O-N 3.17Å; I183-L186 WeakPolarHBondContact O-CB 3.36Å; I183-L186 PolarHBondContact O-N 3.42Å; L186-W188 VanDerWaalsContact C-N 3.34Å; L186-F189 PolarHBondContact O-N 3.28Å; L186-I190 PolarHBondContact O-N 2.78Å; L186-I190 VanDerWaalsContact O-N 3.07Å; L186-W196 HydrophobicContact CD2-CD2 4.43Å; L186-W196 HydrophobicContact CD2-CG 4.4Å
187A94.1Very high93Very high45 Ų4545 Ų4537%0.37223%0.233SC..Hα-helixtrans-65.5-38.5179.500000111.5I183 L184 A185 I190 L191I183-A187 WeakPolarHBondContact O-CB 3.41Å; I183-A187 PolarHBondContact O-N 2.95Å; L184-A187 PolarHBondContact O-N 3.08Å; A185-A187 PolarHBondContact O-N 3.44Å; A187-I190 VanDerWaalsContact O-CG2 3.29Å; A187-I190 WeakPolarHBondContact O-CG2 3.48Å; A187-L191 WeakPolarHBondContact O-CD1 3.38Å; A187-L191 VanDerWaalsContact O-CG 3.24Å; A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.16Å
188W92.7Very high92.4Very high41 Ų4143.4 Ų43.416%0.15523%0.226CC..Hα-helixtrans-67.7-45.4177.3-16887.6000111.8L184 A185 L186 I190 L191 H192 S209 T211 P212L184-W188 WeakPolarHBondContact O-CB 3.32Å; L184-W188 PolarHBondContact O-N 3.17Å; A185-W188 PolarHBondContact O-N 3.41Å; L186-W188 VanDerWaalsContact C-N 3.34Å; W188-I190 PolarHBondContact O-N 3.06Å; W188-L191 PolarHBondContact O-N 3.4Å; W188-H192 AromaticContact CD1-CD2 3.62Å; W188-H192 AromaticContact CD1-NE2 3.82Å; W188-H192 AromaticContact CD2-CD2 3.62Å; W188-H192 AromaticContact CE2-CD2 3.12Å; W188-H192 AromaticContact CE2-CG 3.87Å; W188-H192 AromaticContact CE2-NE2 3.66Å; W188-H192 AromaticContact CG-CD2 3.89Å; W188-H192 HydrophobicContact CH2-CB 4.03Å; W188-H192 HydrophobicContact CZ2-CB 4.06Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.45Å; W188-H192 AromaticContact CZ2-CG 3.71Å; W188-H192 HydrophobicContact CZ3-CB 4.29Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.36Å; W188-H192 AromaticContact NE1-NE2 3.25Å; W188-H192 PolarHBondContact NE1-NE2 3.5Å; W188-H192 PolarHBondContact O-CD2 2.97Å; W188-H192 PolarHBondContact O-N 2.98Å; W188-H192 VanDerWaalsContact O-N 3.1Å; W188-S209 VanDerWaalsContact CH2-OG 3.31Å; W188-S209 WeakPolarHBondContact CH2-OG 3.48Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.39Å; W188-S209 PolarHBondContact NE1-OG 3.37Å; W188-T211 PolarHBondContact NE1-OG1 3.49Å; W188-P212 HydrophobicContact CB-CB 4.34Å; W188-P212 HydrophobicContact CD2-CB 4.07Å; W188-P212 HydrophobicContact CD2-CG 3.75Å; W188-P212 HydrophobicContact CE3-CB 3.76Å; W188-P212 HydrophobicContact CE3-CG 3.46Å; W188-P212 VanDerWaalsContact CE3-CG 3.46Å; W188-P212 HydrophobicContact CG-CB 4.3Å; W188-P212 HydrophobicContact CG-CG 4.34Å; W188-P212 HydrophobicContact CH2-CG 4.45Å; W188-P212 HydrophobicContact CZ3-CG 3.82Å
189F90.9Very high91.9Very high1 Ų146.2 Ų46.20%0.00424%0.239CC..Hα-helixtrans-66.3-37.3-179.4-66.7-50.9000112.8L137 A185 L186 S193 N194 M201 P212 L216 L266L137-F189 HydrophobicContact CD1-CD2 3.5Å; L137-F189 VanDerWaalsContact CD1-CD2 3.5Å; L137-F189 HydrophobicContact CD1-CE2 4.06Å; L137-F189 HydrophobicContact CD1-CG 4.33Å; A185-F189 HydrophobicContact CB-CD2 4.33Å; A185-F189 HydrophobicContact CB-CE2 3.96Å; A185-F189 WeakPolarHBondContact O-CD2 2.94Å; A185-F189 WeakPolarHBondContact O-CG 3.36Å; A185-F189 PolarHBondContact O-N 2.86Å; L186-F189 PolarHBondContact O-N 3.28Å; F189-S193 WeakPolarHBondContact O-CA 3.49Å; F189-S193 PolarHBondContact O-N 3.1Å; F189-S193 PolarHBondContact O-OG 2.91Å; F189-N194 PolarHBondContact O-N 2.74Å; F189-M201 HydrophobicContact CB-CE 4.39Å; F189-M201 HydrophobicContact CB-SD 4.1Å; F189-M201 HydrophobicContact CD1-CE 3.38Å; F189-M201 HydrophobicContact CD1-CG 4.27Å; F189-M201 HydrophobicContact CD1-SD 4.06Å; F189-M201 HydrophobicContact CD2-CE 3.42Å; F189-M201 VanDerWaalsContact CD2-CE 3.42Å; F189-M201 HydrophobicContact CD2-SD 4.03Å; F189-M201 HydrophobicContact CE1-CE 3.31Å; F189-M201 HydrophobicContact CE2-CE 3.32Å; F189-M201 HydrophobicContact CE2-SD 4.49Å; F189-M201 HydrophobicContact CG-CE 3.46Å; F189-M201 VanDerWaalsContact CG-CE 3.46Å; F189-M201 HydrophobicContact CG-CG 4.48Å; F189-M201 HydrophobicContact CG-SD 3.8Å; F189-M201 HydrophobicContact CZ-CE 3.25Å; F189-P212 HydrophobicContact CE1-CB 3.76Å; F189-P212 HydrophobicContact CE1-CG 4.03Å; F189-P212 HydrophobicContact CE2-CB 3.98Å; F189-P212 HydrophobicContact CZ-CB 3.46Å; F189-P212 VanDerWaalsContact CZ-CB 3.46Å; F189-P212 HydrophobicContact CZ-CG 4.12Å; F189-L216 HydrophobicContact CE2-CD1 4.4Å; F189-L216 HydrophobicContact CZ-CD1 4.43Å; F189-L266 HydrophobicContact CE1-CD1 4.23Å; F189-L266 HydrophobicContact CZ-CD1 4.04Å
190I90.9Very high91.4Very high46 Ų4650.2 Ų50.224%0.23626%0.258CS..Hα-helixtrans-66.2-40.2176.3-159.463.3000111.8T74 L186 A187 W188 N194 W196T74-I190 HydrophobicContact CG2-CD1 3.49Å; T74-I190 VanDerWaalsContact CG2-CD1 3.49Å; L186-I190 PolarHBondContact O-N 2.78Å; L186-I190 VanDerWaalsContact O-N 3.07Å; A187-I190 VanDerWaalsContact O-CG2 3.29Å; A187-I190 WeakPolarHBondContact O-CG2 3.48Å; W188-I190 PolarHBondContact O-N 3.06Å; I190-N194 WeakPolarHBondContact O-CA 3.5Å; I190-N194 PolarHBondContact O-N 3.22Å; I190-W196 HydrophobicContact CD1-CZ2 4.2Å; I190-W196 HydrophobicContact CG1-CZ2 4.38Å
191L91Very high90.8Very high139 Ų13944.8 Ų44.873%0.72823%0.23SC*.Hα-helixtrans-69.4-36.8-178.6-71.9170.2000112.9A187 W188A187-L191 WeakPolarHBondContact O-CD1 3.38Å; A187-L191 VanDerWaalsContact O-CG 3.24Å; A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.16Å; W188-L191 PolarHBondContact O-N 3.4Å
192H88.8Confident90.1Very high120 Ų12046.6 Ų46.656%0.55625%0.245SC*.Hα-helixtrans-102.2-38.8-172.8-70.5-72000114.6W188W188-H192 AromaticContact CD1-CD2 3.62Å; W188-H192 AromaticContact CD1-NE2 3.82Å; W188-H192 AromaticContact CD2-CD2 3.62Å; W188-H192 AromaticContact CE2-CD2 3.12Å; W188-H192 AromaticContact CE2-CG 3.87Å; W188-H192 AromaticContact CE2-NE2 3.66Å; W188-H192 AromaticContact CG-CD2 3.89Å; W188-H192 HydrophobicContact CH2-CB 4.03Å; W188-H192 HydrophobicContact CZ2-CB 4.06Å; W188-H192 AromaticContact CZ2-CD2 3.45Å; W188-H192 VanDerWaalsContact CZ2-CD2 3.45Å; W188-H192 WeakPolarHBondContact CZ2-CD2 3.45Å; W188-H192 AromaticContact CZ2-CG 3.71Å; W188-H192 HydrophobicContact CZ3-CB 4.29Å; W188-H192 AromaticContact NE1-CD2 3.17Å; W188-H192 PolarHBondContact NE1-CD2 3.36Å; W188-H192 AromaticContact NE1-NE2 3.25Å; W188-H192 PolarHBondContact NE1-NE2 3.5Å; W188-H192 PolarHBondContact O-CD2 2.97Å; W188-H192 PolarHBondContact O-N 2.98Å; W188-H192 VanDerWaalsContact O-N 3.1Å
193S86.8Confident89.5Confident6 Ų653.8 Ų53.84%0.04228%0.283CS..Hα-helixtrans-106-4.4-176.760.70000113.9F189 S195F189-S193 WeakPolarHBondContact O-CA 3.49Å; F189-S193 PolarHBondContact O-N 3.1Å; F189-S193 PolarHBondContact O-OG 2.91Å; S193-S195 PolarHBondContact O-N 3.3Å; S193-S195 PolarHBondContact O-OG 3.12Å; S193-S195 PolarHBondContact OG-O 2.98Å
194N90.6Very high88.8Confident75 Ų7554.7 Ų54.740%0.40129%0.288SS..SBendtrans47.829.1-178.9-161.326.2000114T73 T74 F189 I190T73-N194 WeakPolarHBondContact CB-ND2 3.35Å; T73-N194 PolarHBondContact OG1-ND2 3.26Å; T73-N194 PolarHBondContact OG1-OD1 3.06Å; T74-N194 VanDerWaalsContact CG2-O 3.23Å; T74-N194 WeakPolarHBondContact CG2-O 3.38Å; T74-N194 VanDerWaalsContact CG2-OD1 3.27Å; T74-N194 WeakPolarHBondContact CG2-OD1 3.46Å; F189-N194 PolarHBondContact O-N 2.74Å; I190-N194 WeakPolarHBondContact O-CA 3.5Å; I190-N194 PolarHBondContact O-N 3.22Å
195S89.3Confident87.6Confident8 Ų851.5 Ų51.56%0.05627%0.271CS..  trans-153.4153.9-175.4550000110S193 Q200S193-S195 PolarHBondContact O-N 3.3Å; S193-S195 PolarHBondContact O-OG 3.12Å; S193-S195 PolarHBondContact OG-O 2.98Å; S195-Q200 VanDerWaalsContact OG-CD 3.29Å; S195-Q200 WeakPolarHBondContact OG-CG 3.31Å; S195-Q200 PolarHBondContact OG-OE1 3.4Å
196W89.7Confident86.2Confident46 Ų4654.7 Ų54.717%0.17430%0.297CS..  trans-112.19.4175.5-73.8-19.5000112.4L76 L137 F138 L186 I190L76-W196 HydrophobicContact CD1-CH2 4.5Å; L76-W196 HydrophobicContact CD1-CZ3 3.79Å; L76-W196 HydrophobicContact CD2-CD2 4.35Å; L76-W196 HydrophobicContact CD2-CE3 3.22Å; L76-W196 HydrophobicContact CD2-CH2 4.34Å; L76-W196 HydrophobicContact CD2-CZ3 3.23Å; L76-W196 HydrophobicContact CG-CZ3 4.15Å; L137-W196 HydrophobicContact CB-CB 4.15Å; L137-W196 PolarHBondContact N-O 3.42Å; F138-W196 HydrophobicContact CB-CD2 4.43Å; F138-W196 HydrophobicContact CB-CE3 3.53Å; F138-W196 HydrophobicContact CB-CZ3 3.66Å; F138-W196 HydrophobicContact CD2-CH2 4.44Å; F138-W196 HydrophobicContact CD2-CZ3 4Å; F138-W196 HydrophobicContact CG-CE3 4.31Å; F138-W196 AromaticContact CG-CZ3 3.94Å; F138-W196 HydrophobicContact CG-CZ3 3.94Å; L186-W196 HydrophobicContact CD2-CD2 4.43Å; L186-W196 HydrophobicContact CD2-CG 4.4Å; I190-W196 HydrophobicContact CD1-CZ2 4.2Å; I190-W196 HydrophobicContact CG1-CZ2 4.38Å
197D90.2Very high85.1Confident42 Ų4260.8 Ų60.823%0.22533%0.33CS..  trans-95.1119.8-175.6-68.210.2000108.5N136 Q199 Q200 M201N136-D197 PolarHBondContact OD1-OD1 2.97Å; D197-Q199 PolarHBondContact O-N 3.41Å; D197-Q199 VanDerWaalsContact O-N 3.09Å; D197-Q200 HydrophobicContact CB-CB 4.42Å; D197-Q200 PolarHBondContact O-N 3.44Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; D197-M201 VanDerWaalsContact O-CG 3.3Å; D197-M201 WeakPolarHBondContact O-CG 3.42Å; D197-M201 PolarHBondContact O-N 3.49Å
198P84.9Confident84Confident22 Ų2259.5 Ų59.514%0.14332%0.318CS..Hα-helixtrans-60.5-27.8-174.424.1-34000112.3N135 A202 F263N135-P198 WeakPolarHBondContact O-CD 3.24Å; N135-P198 WeakPolarHBondContact O-CG 3.49Å; P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.33Å; P198-A202 PolarHBondContact O-N 3.43Å; P198-F263 HydrophobicContact CB-CD1 4.44Å; P198-F263 HydrophobicContact CB-CE1 3.75Å; P198-F263 HydrophobicContact CB-CZ 4.28Å
199Q84.4Confident83.5Confident59 Ų5959.4 Ų59.428%0.27632%0.324SS..Hα-helixtrans-65.6-49.7177.2-69146.6-15.600111.7N135 D197 M201 A202 L203N135-Q199 PolarHBondContact ND2-OE1 3.01Å; D197-Q199 PolarHBondContact O-N 3.41Å; D197-Q199 VanDerWaalsContact O-N 3.09Å; Q199-M201 VanDerWaalsContact C-N 3.31Å; Q199-M201 PolarHBondContact O-N 2.88Å; Q199-A202 PolarHBondContact O-N 3.27Å; Q199-L203 VanDerWaalsContact O-CG 3.32Å; Q199-L203 WeakPolarHBondContact O-CG 3.31Å; Q199-L203 PolarHBondContact O-N 3Å; Q199-L203 VanDerWaalsContact O-N 3.12Å
200Q85.6Confident83.5Confident88 Ų8862.7 Ų62.741%0.41134%0.341SS..Hα-helixtrans-65.7-39.4178.1-174.9173.9-3.500110.7S195 D197 L203 L204S195-Q200 VanDerWaalsContact OG-CD 3.29Å; S195-Q200 WeakPolarHBondContact OG-CG 3.31Å; S195-Q200 PolarHBondContact OG-OE1 3.4Å; D197-Q200 HydrophobicContact CB-CB 4.42Å; D197-Q200 PolarHBondContact O-N 3.44Å; D197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-L203 PolarHBondContact O-N 3.22Å; Q200-L204 HydrophobicContact CG-CD1 3.77Å; Q200-L204 HydrophobicContact CG-CG 4.4Å; Q200-L204 WeakPolarHBondContact O-CB 3.28Å; Q200-L204 WeakPolarHBondContact O-CG 3.21Å; Q200-L204 PolarHBondContact O-N 3.15Å
201M84.7Confident83.6Confident0 Ų063.8 Ų63.80%035%0.35CS..Hα-helixtrans-62-43.3176.3-67.216538.600112.7L137 F189 D197 Q199 L203 N205 F263 L266L137-M201 HydrophobicContact CD1-CE 4.04Å; L137-M201 HydrophobicContact CD1-SD 3.75Å; F189-M201 HydrophobicContact CB-CE 4.39Å; F189-M201 HydrophobicContact CB-SD 4.1Å; F189-M201 HydrophobicContact CD1-CE 3.38Å; F189-M201 HydrophobicContact CD1-CG 4.27Å; F189-M201 HydrophobicContact CD1-SD 4.06Å; F189-M201 HydrophobicContact CD2-CE 3.42Å; F189-M201 VanDerWaalsContact CD2-CE 3.42Å; F189-M201 HydrophobicContact CD2-SD 4.03Å; F189-M201 HydrophobicContact CE1-CE 3.31Å; F189-M201 HydrophobicContact CE2-CE 3.32Å; F189-M201 HydrophobicContact CE2-SD 4.49Å; F189-M201 HydrophobicContact CG-CE 3.46Å; F189-M201 VanDerWaalsContact CG-CE 3.46Å; F189-M201 HydrophobicContact CG-CG 4.48Å; F189-M201 HydrophobicContact CG-SD 3.8Å; F189-M201 HydrophobicContact CZ-CE 3.25Å; D197-M201 VanDerWaalsContact O-CG 3.3Å; D197-M201 WeakPolarHBondContact O-CG 3.42Å; D197-M201 PolarHBondContact O-N 3.49Å; Q199-M201 VanDerWaalsContact C-N 3.31Å; Q199-M201 PolarHBondContact O-N 2.88Å; M201-L203 VanDerWaalsContact C-N 3.34Å; M201-N205 WeakPolarHBondContact O-CB 3.09Å; M201-N205 PolarHBondContact O-N 3.26Å; M201-N205 VanDerWaalsContact O-N 3.09Å; M201-F263 HydrophobicContact CE-CD1 4.19Å; M201-F263 HydrophobicContact CE-CE1 3.58Å; M201-L266 HydrophobicContact CE-CD1 3.9Å
202A82.5Confident83.6Confident38 Ų3857.1 Ų57.131%0.31432%0.315SS..Hα-helixtrans-66.8-35.3178.300000112.4P198 Q199 P265 L266P198-A202 VanDerWaalsContact O-CB 3.31Å; P198-A202 WeakPolarHBondContact O-CB 3.33Å; P198-A202 PolarHBondContact O-N 3.43Å; Q199-A202 PolarHBondContact O-N 3.27Å; A202-P265 HydrophobicContact CB-CB 4.33Å; A202-L266 HydrophobicContact CB-CD2 4.48Å
203L84Confident83.9Confident151 Ų15151.7 Ų51.779%0.79129%0.29SS*.Hα-helixtrans-71.2-40.6177.5-71.2168.1000112.7Q199 Q200 M201Q199-L203 VanDerWaalsContact O-CG 3.32Å; Q199-L203 WeakPolarHBondContact O-CG 3.31Å; Q199-L203 PolarHBondContact O-N 3Å; Q199-L203 VanDerWaalsContact O-N 3.12Å; Q200-L203 PolarHBondContact O-N 3.22Å; M201-L203 VanDerWaalsContact C-N 3.34Å
204L81.1Confident84.3Confident106 Ų10654.6 Ų54.656%0.55531%0.305SS*.Hα-helixtrans-79.2-33.4-176-68.9172.1000113Q200Q200-L204 HydrophobicContact CG-CD1 3.77Å; Q200-L204 HydrophobicContact CG-CG 4.4Å; Q200-L204 WeakPolarHBondContact O-CB 3.28Å; Q200-L204 WeakPolarHBondContact O-CG 3.21Å; Q200-L204 PolarHBondContact O-N 3.15Å
205N69.7Low84.5Confident28 Ų2851.1 Ų51.115%0.1529%0.287CS..  trans-10574.6-172.7-67.8-30000111.9M201 N207 L266M201-N205 WeakPolarHBondContact O-CB 3.09Å; M201-N205 PolarHBondContact O-N 3.26Å; M201-N205 VanDerWaalsContact O-N 3.09Å; N205-N207 PolarHBondContact O-N 2.76Å; N205-L266 HydrophobicContact CB-CD2 4.35Å
206A64.4Low84.8Confident67 Ų6750.8 Ų50.855%0.55428%0.284SS*.SBendtrans-58.5-35.2171.200000111.9P208 N269A206-P208 WeakPolarHBondContact O-CD 3.09Å; A206-N269 PolarHBondContact O-ND2 3.13Å
207N70.9Confident85.2Confident148 Ų14849.6 Ų49.679%0.79128%0.281SS*.SBendtrans-117.987.8172.4-70.4-17.2000109.9N205N205-N207 PolarHBondContact O-N 2.76Å
208P71.1Confident85.5Confident19 Ų1950.7 Ų50.712%0.12329%0.286CS..  trans-65.7139.5-179.523.9-28.1000110.4A206 L213 L266 N269A206-P208 WeakPolarHBondContact O-CD 3.09Å; P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.03Å; P208-L266 HydrophobicContact CB-CD2 4.39Å; P208-L266 HydrophobicContact CG-CB 4.45Å; P208-L266 WeakPolarHBondContact CG-O 3.32Å; P208-N269 HydrophobicContact CG-CB 4.49Å
209S81.6Confident86.1Confident38 Ų3849.6 Ų49.627%0.26628%0.28SS..  trans-66.4153171.771.60000110.2W188 T211 P212W188-S209 VanDerWaalsContact CH2-OG 3.31Å; W188-S209 WeakPolarHBondContact CH2-OG 3.48Å; W188-S209 WeakPolarHBondContact CZ2-OG 3.39Å; W188-S209 PolarHBondContact NE1-OG 3.37Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 2.76Å; S209-T211 PolarHBondContact OG-OG1 3.08Å; S209-P212 VanDerWaalsContact O-CD 3.29Å; S209-P212 WeakPolarHBondContact O-CD 3.49Å; S209-P212 WeakPolarHBondContact O-CG 3.38Å; S209-P212 WeakPolarHBondContact OG-CD 3.45Å
210L91.1Very high86.6Confident71 Ų7146.8 Ų46.837%0.37227%0.267SS..Hα-helixtrans-64.8-30.6-179.217761.2000112.7L213 L214 L272 I273L210-L213 PolarHBondContact O-N 3.39Å; L210-L214 HydrophobicContact CD1-CD1 4.01Å; L210-L214 HydrophobicContact CD1-CD2 4.26Å; L210-L214 HydrophobicContact CD1-CG 3.79Å; L210-L214 HydrophobicContact CD2-CD1 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.9Å; L210-L214 WeakPolarHBondContact O-CG 3.35Å; L210-L214 PolarHBondContact O-N 3.28Å; L210-L272 HydrophobicContact CD1-CD2 3.8Å; L210-L272 HydrophobicContact CD1-CG 4.43Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.42Å; L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 4.16Å
211T92.3Very high87.2Confident68 Ų6842.9 Ų42.942%0.41725%0.249SC..Hα-helixtrans-63.1-51.8-170.446.10000115.2W188 S209 L213 L214 G215W188-T211 PolarHBondContact NE1-OG1 3.49Å; S209-T211 VanDerWaalsContact C-N 3.27Å; S209-T211 PolarHBondContact O-N 2.76Å; S209-T211 PolarHBondContact OG-OG1 3.08Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.11Å; T211-L214 PolarHBondContact O-N 3.04Å; T211-G215 PolarHBondContact O-N 2.82Å
212P92.9Very high87.7Confident0 Ų042.9 Ų42.90%025%0.249CC..Hα-helixtrans-63.8-36.517728.6-38.3000111.7A185 W188 F189 S209 G215 L216A185-P212 HydrophobicContact CB-CB 4.35Å; W188-P212 HydrophobicContact CB-CB 4.34Å; W188-P212 HydrophobicContact CD2-CB 4.07Å; W188-P212 HydrophobicContact CD2-CG 3.75Å; W188-P212 HydrophobicContact CE3-CB 3.76Å; W188-P212 HydrophobicContact CE3-CG 3.46Å; W188-P212 VanDerWaalsContact CE3-CG 3.46Å; W188-P212 HydrophobicContact CG-CB 4.3Å; W188-P212 HydrophobicContact CG-CG 4.34Å; W188-P212 HydrophobicContact CH2-CG 4.45Å; W188-P212 HydrophobicContact CZ3-CG 3.82Å; F189-P212 HydrophobicContact CE1-CB 3.76Å; F189-P212 HydrophobicContact CE1-CG 4.03Å; F189-P212 HydrophobicContact CE2-CB 3.98Å; F189-P212 HydrophobicContact CZ-CB 3.46Å; F189-P212 VanDerWaalsContact CZ-CB 3.46Å; F189-P212 HydrophobicContact CZ-CG 4.12Å; S209-P212 VanDerWaalsContact O-CD 3.29Å; S209-P212 WeakPolarHBondContact O-CD 3.49Å; S209-P212 WeakPolarHBondContact O-CG 3.38Å; S209-P212 WeakPolarHBondContact OG-CD 3.45Å; P212-G215 PolarHBondContact O-N 3.47Å; P212-L216 VanDerWaalsContact O-CG 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.47Å; P212-L216 PolarHBondContact O-N 3.41Å
213L93.4Very high88.2Confident6 Ų641.2 Ų41.23%0.03124%0.235CC..Hα-helixtrans-70.2-37.4-179.7-64171.1000112P208 L210 T211 G215 L216 L217 L266 S270 I273P208-L213 HydrophobicContact CB-CD1 4.08Å; P208-L213 HydrophobicContact CG-CD1 4.03Å; L210-L213 PolarHBondContact O-N 3.39Å; T211-L213 VanDerWaalsContact C-N 3.3Å; T211-L213 PolarHBondContact O-N 3.11Å; L213-G215 VanDerWaalsContact C-N 3.33Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.48Å; L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 PolarHBondContact O-N 3.31Å; L213-L266 HydrophobicContact CD2-CB 3.96Å; L213-S270 VanDerWaalsContact CD1-OG 3.31Å; L213-S270 WeakPolarHBondContact CD1-OG 3.33Å; L213-I273 HydrophobicContact CB-CD1 4.23Å; L213-I273 HydrophobicContact CB-CG1 3.51Å; L213-I273 HydrophobicContact CD1-CD1 4.11Å; L213-I273 HydrophobicContact CD1-CG1 3.83Å; L213-I273 HydrophobicContact CG-CG1 4.28Å
214L95.4Very high88.8Confident67 Ų6734 Ų3435%0.35120%0.197SC..Hα-helixtrans-62.8-40.2169-75.5177000111.7L210 T211 L217 L218 L276L210-L214 HydrophobicContact CD1-CD1 4.01Å; L210-L214 HydrophobicContact CD1-CD2 4.26Å; L210-L214 HydrophobicContact CD1-CG 3.79Å; L210-L214 HydrophobicContact CD2-CD1 4.03Å; L210-L214 HydrophobicContact CG-CD1 3.62Å; L210-L214 HydrophobicContact CG-CG 3.9Å; L210-L214 WeakPolarHBondContact O-CG 3.35Å; L210-L214 PolarHBondContact O-N 3.28Å; T211-L214 PolarHBondContact O-N 3.04Å; L214-L217 PolarHBondContact O-N 3.01Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 3.06Å; L214-L276 HydrophobicContact CD2-CD1 3.76Å
215G96.1Very high89.4Confident2 Ų229 Ų292%0.02117%0.171CC..Hα-helixtrans-60.1-47173.600000112.5G181 T211 P212 L213 L217 L218 A219G181-G215 CarbonylContact C-O 3.58Å; G181-G215 VanDerWaalsContact CA-O 3.26Å; G181-G215 WeakPolarHBondContact CA-O 3.03Å; G181-G215 CarbonylContact O-C 3.2Å; G181-G215 VanDerWaalsContact O-C 3.28Å; G181-G215 VanDerWaalsContact O-CA 3.25Å; G181-G215 WeakPolarHBondContact O-CA 3.28Å; T211-G215 PolarHBondContact O-N 2.82Å; P212-G215 PolarHBondContact O-N 3.47Å; L213-G215 VanDerWaalsContact C-N 3.33Å; G215-L217 PolarHBondContact O-N 3.37Å; G215-L218 PolarHBondContact O-N 3.22Å; G215-A219 PolarHBondContact O-N 3.45Å
216L95.6Very high90.6Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-64.3-38.1175.8-67.7171.7000111.9A185 F189 P212 L213 A219 A220 L259 L260 F263A185-L216 HydrophobicContact CB-CD2 3.89Å; A185-L216 HydrophobicContact CB-CG 3.92Å; F189-L216 HydrophobicContact CE2-CD1 4.4Å; F189-L216 HydrophobicContact CZ-CD1 4.43Å; P212-L216 VanDerWaalsContact O-CG 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.47Å; P212-L216 PolarHBondContact O-N 3.41Å; L213-L216 HydrophobicContact CD2-CD1 4.38Å; L213-L216 PolarHBondContact O-N 3.48Å; L216-A219 PolarHBondContact O-N 3.27Å; L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.46Å; L216-A220 PolarHBondContact O-N 3.04Å; L216-L259 HydrophobicContact CB-CD2 3.83Å; L216-L259 HydrophobicContact CD2-CD1 4.26Å; L216-L259 HydrophobicContact CD2-CD2 3.6Å; L216-L259 HydrophobicContact CD2-CG 4.21Å; L216-L259 HydrophobicContact CG-CD2 4.2Å; L216-L260 HydrophobicContact CB-CD2 4.23Å; L216-F263 HydrophobicContact CD1-CB 3.99Å; L216-F263 HydrophobicContact CD1-CD1 4.33Å; L216-F263 HydrophobicContact CD1-CD2 3.84Å; L216-F263 HydrophobicContact CD1-CG 3.77Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE2 4.23Å
217L96.6Very high92.1Very high21 Ų2127.6 Ų27.611%0.1115%0.154CC..Hα-helixtrans-64.2-40.8173.5176.3145.9000111.8L213 L214 G215 A220 A221 L276 T277 L280 M314L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 PolarHBondContact O-N 3.31Å; L214-L217 PolarHBondContact O-N 3.01Å; G215-L217 PolarHBondContact O-N 3.37Å; L217-A220 PolarHBondContact O-N 3.34Å; L217-A221 VanDerWaalsContact O-CB 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.42Å; L217-L276 HydrophobicContact CD1-CB 4.11Å; L217-T277 HydrophobicContact CD1-CG2 3.64Å; L217-L280 HydrophobicContact CD2-CD1 4.37Å; L217-M314 HydrophobicContact CD1-CE 4.21Å; L217-M314 HydrophobicContact CG-CE 4.25Å
218L97.3Very high93.2Very high65 Ų6521.6 Ų21.634%0.3413%0.127SC..Hα-helixtrans-65.8-42.3175.5-176.967.5000111.3L214 G215 A221 G222 L229L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 PolarHBondContact O-N 3.06Å; G215-L218 PolarHBondContact O-N 3.22Å; L218-A221 PolarHBondContact O-N 3.19Å; L218-G222 PolarHBondContact O-N 3.38Å; L218-L229 HydrophobicContact CD1-CD1 4.43Å
219A96.9Very high94.4Very high0 Ų021.7 Ų21.70%013%0.126CC..Hα-helixtrans-59-47.8174.100000111.3W144 G178 F182 G215 L216 A221 G222 K223 L259W144-A219 HydrophobicContact CH2-CB 4.08Å; W144-A219 WeakPolarHBondContact CH2-O 3.19Å; W144-A219 HydrophobicContact CZ2-CB 3.84Å; W144-A219 WeakPolarHBondContact CZ2-O 3.46Å; G178-A219 VanDerWaalsContact O-CA 3.3Å; G178-A219 WeakPolarHBondContact O-CA 3.43Å; G178-A219 WeakPolarHBondContact O-CB 3.41Å; F182-A219 HydrophobicContact CB-CB 3.93Å; F182-A219 HydrophobicContact CD2-CB 4.27Å; G215-A219 PolarHBondContact O-N 3.45Å; L216-A219 PolarHBondContact O-N 3.27Å; A219-A221 PolarHBondContact O-N 3.07Å; A219-G222 PolarHBondContact O-N 3.06Å; A219-K223 PolarHBondContact O-N 2.99Å; A219-L259 HydrophobicContact CB-CD1 4.35Å
220A96.3Very high95Very high0 Ų020.2 Ų20.20%012%0.115CC..Hα-helixtrans-61.3-43.2175.600000111.8L216 L217 G222 S224 G256 L260L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.46Å; L216-A220 PolarHBondContact O-N 3.04Å; L217-A220 PolarHBondContact O-N 3.34Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.88Å; A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.18Å; A220-S224 PolarHBondContact O-OG 3.26Å; A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.44Å; A220-L260 HydrophobicContact CB-CD1 3.47Å; A220-L260 VanDerWaalsContact CB-CD1 3.47Å; A220-L260 HydrophobicContact CB-CD2 4.28Å; A220-L260 HydrophobicContact CB-CG 3.68Å
221A96.6Very high95.2Very high6 Ų617.1 Ų17.15%0.0510%0.1CC..Hα-helixtrans-60.9-39.317900000112.6L217 L218 A219 A225 Q226 L229L217-A221 VanDerWaalsContact O-CB 3.28Å; L217-A221 WeakPolarHBondContact O-CB 3.39Å; L217-A221 PolarHBondContact O-N 3.42Å; L218-A221 PolarHBondContact O-N 3.19Å; A219-A221 PolarHBondContact O-N 3.07Å; A221-A225 PolarHBondContact O-N 2.64Å; A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.34Å; A221-Q226 PolarHBondContact O-N 2.54Å; A221-L229 HydrophobicContact CB-CD1 4.47Å
222G95.3Very high95.3Very high0 Ų013.9 Ų13.90%08%0.08CC..Hα-helixtrans-64.1-60.6176.300000112.7L218 A219 A220 S224 A225 W232L218-G222 PolarHBondContact O-N 3.38Å; A219-G222 PolarHBondContact O-N 3.06Å; A220-G222 VanDerWaalsContact C-N 3.32Å; A220-G222 PolarHBondContact O-N 2.88Å; G222-S224 PolarHBondContact O-N 3.36Å; G222-A225 PolarHBondContact O-N 2.99Å; G222-W232 PolarHBondContact O-NE1 2.85Å; G222-W232 VanDerWaalsContact O-NE1 3.08Å
223K94.6Very high95.3Very high2 Ų214 Ų141%0.0098%0.08CC..Hα-helixtrans-70.3-30.7-176.9-72.2-73.5176167.80113.8W144 N175 A219 A225 W232 V253W144-K223 HydrophobicContact CD2-CG 4.07Å; W144-K223 VanDerWaalsContact CE2-CE 3.44Å; W144-K223 VanDerWaalsContact CE2-CG 3.46Å; W144-K223 HydrophobicContact CE3-CG 4.25Å; W144-K223 HydrophobicContact CH2-CB 3.72Å; W144-K223 HydrophobicContact CH2-CG 3.32Å; W144-K223 HydrophobicContact CZ2-CB 3.95Å; W144-K223 HydrophobicContact CZ2-CD 4.18Å; W144-K223 HydrophobicContact CZ2-CG 3.08Å; W144-K223 HydrophobicContact CZ3-CB 4.29Å; W144-K223 HydrophobicContact CZ3-CG 3.9Å; W144-K223 PolarHBondContact O-NZ 3.18Å; N175-K223 HydrophobicContact CB-CD 4.39Å; N175-K223 WeakPolarHBondContact OD1-CD 3.29Å; A219-K223 PolarHBondContact O-N 2.99Å; K223-A225 VanDerWaalsContact C-N 3.32Å; K223-W232 WeakPolarHBondContact O-CZ2 3.06Å; K223-V253 WeakPolarHBondContact O-CA 3.49Å
224S94.7Very high95.3Very high0 Ų014.1 Ų14.10%08%0.081CC..THydrogen-bonded Turntrans-90.99.5179.670.30000114.4A220 G222 Q226 V253A220-S224 VanDerWaalsContact O-CB 3.28Å; A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.18Å; A220-S224 PolarHBondContact O-OG 3.26Å; G222-S224 PolarHBondContact O-N 3.36Å; S224-Q226 PolarHBondContact O-N 2.82Å; S224-Q226 VanDerWaalsContact OG-CG 3.27Å; S224-Q226 WeakPolarHBondContact OG-CG 3.43Å; S224-Q226 PolarHBondContact OG-NE2 3.1Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 VanDerWaalsContact CB-O 3.26Å; S224-V253 WeakPolarHBondContact CB-O 3.36Å
225A93.7Very high95.2Very high0 Ų012.1 Ų12.10%07%0.073CC..THydrogen-bonded Turntrans53.648.5176.400000113A221 G222 K223 H230 W232 L233 V253A221-A225 PolarHBondContact O-N 2.64Å; G222-A225 PolarHBondContact O-N 2.99Å; K223-A225 VanDerWaalsContact C-N 3.32Å; A225-H230 WeakPolarHBondContact O-CB 3.35Å; A225-W232 HydrophobicContact CB-CZ2 4.05Å; A225-L233 HydrophobicContact CB-CB 3.64Å; A225-L233 HydrophobicContact CB-CD1 3.59Å; A225-L233 HydrophobicContact CB-CG 4.26Å; A225-V253 HydrophobicContact CB-CG1 4.44Å
226Q96.8Very high95Very high1 Ų112.1 Ų12.11%0.0057%0.073CC..  trans-79.5174.8176.3-55.9-70.4-17.400111A221 S224 L229 H230 L280 T284 L310A221-Q226 HydrophobicContact CB-CB 4.04Å; A221-Q226 HydrophobicContact CB-CG 4.34Å; A221-Q226 PolarHBondContact O-N 2.54Å; S224-Q226 PolarHBondContact O-N 2.82Å; S224-Q226 VanDerWaalsContact OG-CG 3.27Å; S224-Q226 WeakPolarHBondContact OG-CG 3.43Å; S224-Q226 PolarHBondContact OG-NE2 3.1Å; Q226-L229 CarbonylContact O-C 3.59Å; Q226-L229 VanDerWaalsContact O-C 3.24Å; Q226-L229 WeakPolarHBondContact O-CA 3.3Å; Q226-L229 PolarHBondContact O-N 3.44Å; Q226-H230 WeakPolarHBondContact O-CA 3.35Å; Q226-H230 WeakPolarHBondContact O-CB 3.49Å; Q226-H230 PolarHBondContact O-N 3.07Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.29Å; Q226-L280 HydrophobicContact CG-CD2 3.58Å; Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.23Å; Q226-T284 PolarHBondContact OE1-OG1 3.04Å; Q226-L310 PolarHBondContact NE2-O 2.98Å
227L94.8Very high95Very high65 Ų6512.3 Ų12.334%0.347%0.074SC..THydrogen-bonded Turntrans-61.7144.7-170.8-15988.3000109.2L229 I283 T284 F287L227-L229 PolarHBondContact O-N 3.32Å; L227-I283 HydrophobicContact CD1-CG2 4.05Å; L227-I283 HydrophobicContact CD2-CB 4.42Å; L227-I283 HydrophobicContact CD2-CG2 3.49Å; L227-I283 VanDerWaalsContact CD2-CG2 3.49Å; L227-I283 HydrophobicContact CG-CG2 4.24Å; L227-T284 HydrophobicContact CB-CG2 3.53Å; L227-F287 HydrophobicContact CD1-CB 3.72Å; L227-F287 HydrophobicContact CD1-CD1 3.87Å; L227-F287 HydrophobicContact CD1-CD2 4.27Å; L227-F287 HydrophobicContact CD1-CG 3.66Å
228G94.1Very high94.7Very high23 Ų2314.4 Ų14.424%0.2378%0.083CC..THydrogen-bonded Turntrans85.7-44.7-167.400000113.2Y529G228-Y529 WeakPolarHBondContact CA-OH 3.31Å; G228-Y529 PolarHBondContact O-OH 3.42Å
229L95.7Very high94.5Very high20 Ų2011.4 Ų11.411%0.1057%0.067CC..SBendtrans-112.115.7-178.7-50.9176.9000113.2Y174 I177 L218 A221 Q226 L227 P231 W232Y174-L229 HydrophobicContact CD1-CB 3.79Å; Y174-L229 HydrophobicContact CD1-CD2 3.52Å; Y174-L229 HydrophobicContact CD1-CG 4.22Å; Y174-L229 HydrophobicContact CE1-CB 4.36Å; Y174-L229 HydrophobicContact CE1-CD2 3.85Å; I177-L229 HydrophobicContact CB-CD2 4.44Å; I177-L229 HydrophobicContact CD1-CD2 4.07Å; I177-L229 HydrophobicContact CG2-CD1 4.03Å; I177-L229 HydrophobicContact CG2-CD2 4Å; L218-L229 HydrophobicContact CD1-CD1 4.43Å; A221-L229 HydrophobicContact CB-CD1 4.47Å; Q226-L229 CarbonylContact O-C 3.59Å; Q226-L229 VanDerWaalsContact O-C 3.24Å; Q226-L229 WeakPolarHBondContact O-CA 3.3Å; Q226-L229 PolarHBondContact O-N 3.44Å; L227-L229 PolarHBondContact O-N 3.32Å; L229-P231 VanDerWaalsContact C-CD 3.44Å; L229-W232 PolarHBondContact O-NE1 2.87Å
230H94.9Very high94.4Very high8 Ų811.4 Ų11.44%0.0377%0.068CC..THydrogen-bonded Turntrans-74.4-28.1-177.566.7-81.8000117.2A225 Q226 W232 L233 P234 F287 Y529A225-H230 WeakPolarHBondContact O-CB 3.35Å; Q226-H230 WeakPolarHBondContact O-CA 3.35Å; Q226-H230 WeakPolarHBondContact O-CB 3.49Å; Q226-H230 PolarHBondContact O-N 3.07Å; H230-W232 PolarHBondContact O-N 3.33Å; H230-L233 PolarHBondContact O-N 3.13Å; H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.46Å; H230-F287 AromaticContact CD2-CE1 3.53Å; H230-F287 AromaticContact CE1-CE1 3.77Å; H230-F287 AromaticContact NE2-CE1 3.2Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.14Å; H230-F287 AromaticContact NE2-CZ 3.69Å; H230-Y529 AromaticContact CE1-CD1 3.63Å; H230-Y529 AromaticContact CE1-CE1 3.96Å; H230-Y529 AromaticContact CE1-CG 3.83Å; H230-Y529 AromaticContact NE2-CD1 3.94Å
231P94.9Very high94.4Very high6 Ų611.4 Ų11.44%0.0397%0.068CC..THydrogen-bonded Turntrans-65.6-17.4-166.2-26.936.5000116.2Q170 L229 L233 P234 S235 Y529 P530Q170-P231 PolarHBondContact NE2-O 3.45Å; L229-P231 VanDerWaalsContact C-CD 3.44Å; P231-L233 VanDerWaalsContact C-N 3.29Å; P231-P234 WeakPolarHBondContact O-CD 3.5Å; P231-S235 PolarHBondContact O-OG 2.98Å; P231-Y529 HydrophobicContact CG-CD1 3.39Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; P231-P530 HydrophobicContact CB-CG 4.29Å
232W94.8Very high94.3Very high0 Ų011.1 Ų11.10%07%0.065CC..Hα-helixtrans-71.2-27.2-179.472.3-97.4000112.7Q170 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 VanDerWaalsContact CB-CD1 3.5Å; Y174-W232 HydrophobicContact CD2-CB 3.69Å; Y174-W232 HydrophobicContact CD2-CG 4.29Å; Y174-W232 HydrophobicContact CE2-CB 4.4Å; Y174-W232 HydrophobicContact CG-CB 4.28Å; Y174-W232 AromaticContact CG-CD1 3.85Å; Y174-W232 HydrophobicContact CG-CG 4.41Å; G222-W232 PolarHBondContact O-NE1 2.85Å; G222-W232 VanDerWaalsContact O-NE1 3.08Å; K223-W232 WeakPolarHBondContact O-CZ2 3.06Å; A225-W232 HydrophobicContact CB-CZ2 4.05Å; L229-W232 PolarHBondContact O-NE1 2.87Å; H230-W232 PolarHBondContact O-N 3.33Å; W232-S235 WeakPolarHBondContact CA-OG 3.44Å; W232-S235 PolarHBondContact O-N 3.19Å; W232-S235 PolarHBondContact O-OG 3.1Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; W232-A236 HydrophobicContact CE3-CB 4.4Å; W232-A236 WeakPolarHBondContact O-CB 3.13Å; W232-A236 PolarHBondContact O-N 2.91Å; W232-M252 HydrophobicContact CE3-CE 4.41Å; W232-M252 HydrophobicContact CH2-CE 3.45Å; W232-M252 VanDerWaalsContact CH2-CE 3.45Å; W232-M252 HydrophobicContact CH2-CG 4.2Å; W232-M252 HydrophobicContact CH2-SD 3.68Å; W232-M252 HydrophobicContact CZ2-CE 4.23Å; W232-M252 HydrophobicContact CZ3-CE 3.56Å; W232-M252 HydrophobicContact CZ3-SD 3.77Å; W232-V253 HydrophobicContact CH2-CG2 3.98Å
233L93.6Very high94.3Very high1 Ų111.3 Ų11.31%0.0057%0.066CC..Hα-helixtrans-69.2-45.7-176.7-175.6156000111.6A225 H230 P231 A236 M237 V253 A303 L310A225-L233 HydrophobicContact CB-CB 3.64Å; A225-L233 HydrophobicContact CB-CD1 3.59Å; A225-L233 HydrophobicContact CB-CG 4.26Å; H230-L233 PolarHBondContact O-N 3.13Å; P231-L233 VanDerWaalsContact C-N 3.29Å; L233-A236 PolarHBondContact O-N 3.13Å; L233-M237 WeakPolarHBondContact O-CE 3.16Å; L233-V253 HydrophobicContact CD1-CB 4.41Å; L233-V253 HydrophobicContact CD1-CG1 3.66Å; L233-V253 HydrophobicContact CD1-CG2 3.84Å; L233-A303 HydrophobicContact CD2-CB 3.64Å; L233-A303 WeakPolarHBondContact CD2-O 3.5Å; L233-L310 HydrophobicContact CD1-CD1 4.44Å
234P93.3Very high94.2Very high9 Ų911.2 Ų11.26%0.0587%0.066CC..Hα-helixtrans-64.6-35172.8-24.734.6000114.2H230 P231 M237 F304H230-P234 VanDerWaalsContact O-CD 3.28Å; H230-P234 WeakPolarHBondContact O-CD 3.46Å; P231-P234 WeakPolarHBondContact O-CD 3.5Å; P234-M237 WeakPolarHBondContact O-CB 2.9Å; P234-M237 VanDerWaalsContact O-CG 3.3Å; P234-M237 WeakPolarHBondContact O-CG 3.35Å; P234-M237 PolarHBondContact O-N 2.89Å; P234-F304 HydrophobicContact CB-CE1 4.35Å; P234-F304 HydrophobicContact CB-CE2 3.98Å; P234-F304 HydrophobicContact CB-CZ 3.66Å; P234-F304 HydrophobicContact CG-CD1 4.17Å; P234-F304 HydrophobicContact CG-CE1 3.36Å; P234-F304 HydrophobicContact CG-CE2 3.86Å; P234-F304 HydrophobicContact CG-CZ 3.14Å
235S92.9Very high94.1Very high26 Ų2611.2 Ų11.218%0.1827%0.066CC..Hα-helixtrans-75.1-26.7178.558.60000112.8A167 Q170 P231 W232 M237 E238A167-S235 WeakPolarHBondContact CB-O 3.47Å; Q170-S235 VanDerWaalsContact CD-OG 3.29Å; Q170-S235 PolarHBondContact NE2-OG 3.02Å; Q170-S235 PolarHBondContact OE1-OG 3.34Å; P231-S235 PolarHBondContact O-OG 2.98Å; W232-S235 WeakPolarHBondContact CA-OG 3.44Å; W232-S235 PolarHBondContact O-N 3.19Å; W232-S235 PolarHBondContact O-OG 3.1Å; W232-S235 VanDerWaalsContact O-OG 3.11Å; S235-M237 PolarHBondContact O-N 3.09Å; S235-E238 PolarHBondContact O-N 3.38Å; S235-E238 VanDerWaalsContact O-N 3.14Å
236A92.8Very high94.1Very high2 Ų211.4 Ų11.42%0.0177%0.067CC..G310 helixtrans-59.3-13171.800000113.8I155 W232 L233 E238 G239I155-A236 HydrophobicContact CD1-CB 3.76Å; I155-A236 HydrophobicContact CG1-CB 4.19Å; W232-A236 HydrophobicContact CE3-CB 4.4Å; W232-A236 WeakPolarHBondContact O-CB 3.13Å; W232-A236 PolarHBondContact O-N 2.91Å; L233-A236 PolarHBondContact O-N 3.13Å; A236-E238 PolarHBondContact O-N 3.21Å; A236-G239 PolarHBondContact O-N 2.67Å; A236-G239 VanDerWaalsContact O-N 3.16Å
237M93.9Very high93.7Very high4 Ų411.4 Ų11.42%0.027%0.067CC..G310 helixtrans-67.5-6.9173.6-61.4-57.8120.100114.3L233 P234 S235 G239 H248 K299 K300 A303 F340L233-M237 WeakPolarHBondContact O-CE 3.16Å; P234-M237 WeakPolarHBondContact O-CB 2.9Å; P234-M237 VanDerWaalsContact O-CG 3.3Å; P234-M237 WeakPolarHBondContact O-CG 3.35Å; P234-M237 PolarHBondContact O-N 2.89Å; S235-M237 PolarHBondContact O-N 3.09Å; M237-G239 PolarHBondContact O-N 2.94Å; M237-H248 WeakPolarHBondContact CE-CD2 3.43Å; M237-H248 WeakPolarHBondContact CE-NE2 3.41Å; M237-K299 HydrophobicContact CB-CB 4.15Å; M237-K299 HydrophobicContact CG-CB 4.09Å; M237-K299 WeakPolarHBondContact O-CE 3.43Å; M237-K299 PolarHBondContact O-NZ 3.46Å; M237-K299 HydrophobicContact SD-CB 3.88Å; M237-K300 HydrophobicContact CB-CG 4.47Å; M237-K300 HydrophobicContact CG-CG 4.3Å; M237-A303 HydrophobicContact CE-CB 3.45Å; M237-A303 VanDerWaalsContact CE-CB 3.45Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.77Å; M237-F340 HydrophobicContact CE-CE1 4.45Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.81Å; M237-F340 HydrophobicContact SD-CZ 4.2Å
238E91.8Very high93Very high65 Ų658.3 Ų8.330%0.3045%0.051SC..G310 helixtrans-68.4-23.8169.2-68.8-55.1144.900112.7A164 A167 S235 A236A164-E238 HydrophobicContact CB-CB 4.39Å; A167-E238 HydrophobicContact CB-CG 4.48Å; S235-E238 PolarHBondContact O-N 3.38Å; S235-E238 VanDerWaalsContact O-N 3.14Å; A236-E238 PolarHBondContact O-N 3.21Å
239G92.7Very high92.3Very high1 Ų17.2 Ų7.21%0.014%0.04CC..SBendtrans-65.6160.8174.500000112.9A236 M237 K299A236-G239 PolarHBondContact O-N 2.67Å; A236-G239 VanDerWaalsContact O-N 3.16Å; M237-G239 PolarHBondContact O-N 2.94Å; G239-K299 PolarHBondContact O-NZ 3.09Å
240P94.9Very high91.3Very high1 Ų16.3 Ų6.31%0.0064%0.035CC..  trans-62.5152.4-179.527-34000111.7Y107 M108 F117 W157 W158 P242 V243 S244Y107-P240 HydrophobicContact CE1-CB 4.41Å; M108-P240 HydrophobicContact SD-CB 4.18Å; F117-P240 HydrophobicContact CE2-CG 3.84Å; F117-P240 HydrophobicContact CZ-CG 4.45Å; W157-P240 HydrophobicContact CB-CG 4.33Å; W158-P240 HydrophobicContact CH2-CB 4.07Å; W158-P240 HydrophobicContact CZ2-CB 4.43Å; P240-P242 VanDerWaalsContact C-CD 3.41Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.45Å; P240-V243 PolarHBondContact O-N 2.95Å; P240-S244 PolarHBondContact O-N 3.4Å; P240-S244 VanDerWaalsContact O-N 3.12Å
241T94.9Very high91Very high0 Ų06 Ų60%03%0.034CC..Hα-helixtrans-60.6-34.8-171.861.10000115.1Y107 V243 S244 A245 K299 I347Y107-T241 WeakPolarHBondContact CD2-OG1 3.46Å; Y107-T241 HydrophobicContact CE2-CG2 4.15Å; Y107-T241 WeakPolarHBondContact CE2-OG1 3.39Å; Y107-T241 WeakPolarHBondContact OH-CG2 3.09Å; T241-V243 VanDerWaalsContact C-N 3.29Å; T241-V243 PolarHBondContact O-N 3.35Å; T241-S244 WeakPolarHBondContact CA-OG 3.31Å; T241-S244 PolarHBondContact O-N 3.13Å; T241-S244 PolarHBondContact O-OG 2.97Å; T241-A245 WeakPolarHBondContact O-CB 3.36Å; T241-A245 PolarHBondContact O-N 2.88Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; T241-I347 HydrophobicContact CG2-CD1 4.04Å
242P95.5Very high90.8Very high0 Ų05.7 Ų5.70%03%0.032CC..Hα-helixtrans-65-33.6175.1-16.930.3000112.3I100 F103 Y107 F117 P240 A245 L246I100-P242 HydrophobicContact CG2-CB 3.9Å; I100-P242 WeakPolarHBondContact CG2-O 3.48Å; F103-P242 HydrophobicContact CD1-CB 4.25Å; F103-P242 HydrophobicContact CD1-CG 3.93Å; F103-P242 HydrophobicContact CE1-CG 3.92Å; Y107-P242 HydrophobicContact CD1-CG 3.86Å; Y107-P242 HydrophobicContact CG-CG 4.15Å; F117-P242 HydrophobicContact CE1-CB 4.45Å; 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 3.4Å; P242-L246 PolarHBondContact O-N 2.65Å; P242-L246 VanDerWaalsContact O-N 3.1Å
243V94.7Very high90.8Very high3 Ų35.7 Ų5.72%0.0183%0.032CC..Hα-helixtrans-66.7-49.2175.1170.30000109.9F117 L154 P240 T241 A245 L246 L247F117-V243 HydrophobicContact CE2-CG2 3.5Å; F117-V243 HydrophobicContact CZ-CG2 3.69Å; L154-V243 HydrophobicContact CB-CB 4.41Å; L154-V243 HydrophobicContact CB-CG1 3.61Å; L154-V243 HydrophobicContact CB-CG2 3.86Å; L154-V243 HydrophobicContact CD1-CG1 4.45Å; L154-V243 HydrophobicContact CD1-CG2 4.37Å; L154-V243 HydrophobicContact CD2-CG2 3.9Å; L154-V243 HydrophobicContact CG-CG2 4.27Å; P240-V243 HydrophobicContact CG-CB 4.1Å; P240-V243 HydrophobicContact CG-CG2 3.67Å; P240-V243 WeakPolarHBondContact O-CB 3.45Å; P240-V243 PolarHBondContact O-N 2.95Å; T241-V243 VanDerWaalsContact C-N 3.29Å; T241-V243 PolarHBondContact O-N 3.35Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.05Å; V243-L246 PolarHBondContact O-N 2.66Å; V243-L246 VanDerWaalsContact O-N 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.47Å; V243-L247 VanDerWaalsContact CG1-CD1 3.47Å; V243-L247 HydrophobicContact CG1-CG 3.88Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.04Å
244S93Very high90.8Very high1 Ų15.7 Ų5.71%0.0073%0.032CC..Hα-helixtrans-60.9-38.6177.355.30000111.8P240 T241 L246 H248P240-S244 PolarHBondContact O-N 3.4Å; P240-S244 VanDerWaalsContact O-N 3.12Å; T241-S244 WeakPolarHBondContact CA-OG 3.31Å; T241-S244 PolarHBondContact O-N 3.13Å; T241-S244 PolarHBondContact O-OG 2.97Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 3.42Å; S244-H248 WeakPolarHBondContact O-CB 3.38Å; S244-H248 PolarHBondContact O-CD2 3.12Å; S244-H248 PolarHBondContact O-N 3.32Å; S244-H248 VanDerWaalsContact O-N 3.13Å
245A92.9Very high90.8Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-58.4-40.7175.700000111.4I100 T241 P242 V243 S249 F340I100-A245 HydrophobicContact CD1-CB 4.04Å; I100-A245 HydrophobicContact CG1-CB 4.25Å; T241-A245 WeakPolarHBondContact O-CB 3.36Å; T241-A245 PolarHBondContact O-N 2.88Å; P242-A245 PolarHBondContact O-N 3.4Å; V243-A245 VanDerWaalsContact C-N 3.26Å; V243-A245 PolarHBondContact O-N 3.05Å; A245-S249 WeakPolarHBondContact O-CB 3.39Å; A245-S249 PolarHBondContact O-N 2.85Å; A245-S249 PolarHBondContact O-OG 3.33Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.33Å
246L92.5Very high90.9Very high3 Ų34.1 Ų4.12%0.0162%0.021CC..Hα-helixtrans-78.1-49.9-177.3-165.8149.7000112.7T97 I100 L121 F124 P242 V243 S244 H248 T251T97-L246 HydrophobicContact CG2-CD1 3.57Å; T97-L246 HydrophobicContact CG2-CG 4.14Å; I100-L246 HydrophobicContact CD1-CB 3.68Å; I100-L246 HydrophobicContact CD1-CD1 4.31Å; I100-L246 HydrophobicContact CD1-CG 4.1Å; I100-L246 HydrophobicContact CG2-CB 4.44Å; I100-L246 HydrophobicContact CG2-CD1 4.47Å; L121-L246 HydrophobicContact CD1-CD1 4.34Å; L121-L246 HydrophobicContact CD2-CD1 3.19Å; L121-L246 HydrophobicContact CG-CD1 3.77Å; F124-L246 HydrophobicContact CD1-CD2 3.18Å; F124-L246 HydrophobicContact CE1-CD2 3.01Å; F124-L246 HydrophobicContact CE1-CG 4.48Å; F124-L246 HydrophobicContact CG-CD2 4.2Å; F124-L246 HydrophobicContact CZ-CD2 3.87Å; P242-L246 PolarHBondContact O-N 2.65Å; P242-L246 VanDerWaalsContact O-N 3.1Å; V243-L246 PolarHBondContact O-N 2.66Å; V243-L246 VanDerWaalsContact O-N 3.07Å; S244-L246 VanDerWaalsContact C-N 3.25Å; S244-L246 PolarHBondContact O-N 3.42Å; L246-H248 PolarHBondContact O-N 3.39Å; L246-T251 HydrophobicContact CD2-CG2 3.91Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.38Å; L246-T251 PolarHBondContact O-OG1 2.94Å
247L88.1Confident91Very high1 Ų14 Ų41%0.0052%0.02CC..Hα-helixtrans-61.8-43.1-175.8-67.5-177.4000111.6F124 I155 V243 M252 V253F124-L247 HydrophobicContact CD2-CD2 3.94Å; F124-L247 HydrophobicContact CE1-CD2 4.24Å; F124-L247 HydrophobicContact CE2-CD2 3.16Å; F124-L247 HydrophobicContact CZ-CD2 3.37Å; I155-L247 HydrophobicContact CD1-CD1 4.48Å; I155-L247 HydrophobicContact CG1-CD1 4.23Å; V243-L247 HydrophobicContact CG1-CD1 3.47Å; V243-L247 VanDerWaalsContact CG1-CD1 3.47Å; V243-L247 HydrophobicContact CG1-CG 3.88Å; V243-L247 WeakPolarHBondContact O-CB 3.38Å; V243-L247 WeakPolarHBondContact O-CG 3.43Å; V243-L247 PolarHBondContact O-N 3.04Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4Å; L247-M252 HydrophobicContact CD2-SD 4.16Å; L247-M252 PolarHBondContact O-N 3.22Å; L247-V253 PolarHBondContact O-N 3.45Å
248H81Confident91.1Very high1 Ų13.9 Ų3.91%0.0052%0.019CC..Hα-helixtrans-95.4-10.4-170.7-57.8-70.4000114.6M237 S244 L246 T306 F340M237-H248 WeakPolarHBondContact CE-CD2 3.43Å; M237-H248 WeakPolarHBondContact CE-NE2 3.41Å; S244-H248 WeakPolarHBondContact O-CB 3.38Å; S244-H248 PolarHBondContact O-CD2 3.12Å; S244-H248 PolarHBondContact O-N 3.32Å; S244-H248 VanDerWaalsContact O-N 3.13Å; L246-H248 PolarHBondContact O-N 3.39Å; H248-T306 HydrophobicContact CB-CG2 4.23Å; H248-T306 WeakPolarHBondContact O-CG2 3.4Å; H248-F340 HydrophobicContact CB-CE2 3.65Å; H248-F340 HydrophobicContact CB-CZ 3.95Å
249S78.6Confident91.3Very high0 Ų00.8 Ų0.80%01%0.005CC..Hα-helixtrans-90.2-59.1177.1630000112.7A245 H332A245-S249 WeakPolarHBondContact O-CB 3.39Å; A245-S249 PolarHBondContact O-N 2.85Å; A245-S249 PolarHBondContact O-OG 3.33Å; S249-H332 PolarHBondContact O-ND1 3.19Å
250S76.4Confident91.4Very high0 Ų01.3 Ų1.30%01%0.007CC..THydrogen-bonded Turntrans-120.5-24.3-160.245.50000113.2F89F89-S250 WeakPolarHBondContact CE2-O 3.4Å; F89-S250 WeakPolarHBondContact CZ-O 3.4Å
251T87Confident91.4Very high2 Ų21.3 Ų1.31%0.0121%0.007CC..SBendtrans-117.7-85.6-158.858.30000114.8F124 M128 L246 V253 V254 A255F124-T251 HydrophobicContact CE1-CG2 3.78Å; F124-T251 WeakPolarHBondContact CE1-OG1 3.48Å; F124-T251 WeakPolarHBondContact CZ-OG1 3.26Å; M128-T251 HydrophobicContact CB-CG2 4.4Å; M128-T251 WeakPolarHBondContact CE-O 3.29Å; M128-T251 HydrophobicContact CG-CG2 3.84Å; L246-T251 HydrophobicContact CD2-CG2 3.91Å; L246-T251 WeakPolarHBondContact CD2-OG1 3.38Å; L246-T251 PolarHBondContact O-OG1 2.94Å; T251-V253 PolarHBondContact O-N 2.96Å; T251-V254 PolarHBondContact O-N 2.99Å; T251-A255 PolarHBondContact O-N 2.91Å
252M91.4Very high91.3Very high0 Ų02.7 Ų2.70%01%0.013CC..THydrogen-bonded Turntrans-60.8-51.1-166.6178.6-177.1-176.700112.4F124 V147 S151 N175 W232 L247 V254 A255F124-M252 HydrophobicContact CE2-CB 4.47Å; F124-M252 HydrophobicContact CZ-CB 4.11Å; V147-M252 HydrophobicContact CG1-CB 3.83Å; V147-M252 HydrophobicContact CG1-CG 3.88Å; S151-M252 WeakPolarHBondContact CB-SD 3.34Å; S151-M252 VanDerWaalsContact OG-CE 3.27Å; S151-M252 WeakPolarHBondContact OG-CE 3.48Å; N175-M252 WeakPolarHBondContact ND2-CE 3.36Å; W232-M252 HydrophobicContact CE3-CE 4.41Å; W232-M252 HydrophobicContact CH2-CE 3.45Å; W232-M252 VanDerWaalsContact CH2-CE 3.45Å; W232-M252 HydrophobicContact CH2-CG 4.2Å; W232-M252 HydrophobicContact CH2-SD 3.68Å; W232-M252 HydrophobicContact CZ2-CE 4.23Å; W232-M252 HydrophobicContact CZ3-CE 3.56Å; W232-M252 HydrophobicContact CZ3-SD 3.77Å; L247-M252 HydrophobicContact CB-CB 4.43Å; L247-M252 HydrophobicContact CD2-CB 4Å; L247-M252 HydrophobicContact CD2-SD 4.16Å; L247-M252 PolarHBondContact O-N 3.22Å; M252-V254 VanDerWaalsContact C-N 3.27Å; M252-V254 PolarHBondContact O-N 3.15Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 3.43Å
253V94.1Very high91.1Very high0 Ų03 Ų30%01%0.014CC..THydrogen-bonded Turntrans-75-25.1-171.6-158.50000111.9K223 S224 A225 W232 L233 L247 T251 L310K223-V253 WeakPolarHBondContact O-CA 3.49Å; S224-V253 WeakPolarHBondContact CA-O 3.38Å; S224-V253 VanDerWaalsContact CB-O 3.26Å; S224-V253 WeakPolarHBondContact CB-O 3.36Å; A225-V253 HydrophobicContact CB-CG1 4.44Å; W232-V253 HydrophobicContact CH2-CG2 3.98Å; L233-V253 HydrophobicContact CD1-CB 4.41Å; L233-V253 HydrophobicContact CD1-CG1 3.66Å; L233-V253 HydrophobicContact CD1-CG2 3.84Å; L247-V253 PolarHBondContact O-N 3.45Å; T251-V253 PolarHBondContact O-N 2.96Å; V253-L310 HydrophobicContact CB-CD1 3.84Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.27Å; V253-L310 HydrophobicContact CG1-CG 4.29Å
254V94.1Very high90.9Very high1 Ų14.1 Ų4.11%0.0062%0.019CC..Hα-helixtrans-74.2-28.8176.7171.10000111.6F89 T251 M252 G256 I257 F258 L310 I329F89-V254 HydrophobicContact CE2-CG1 4.33Å; T251-V254 PolarHBondContact O-N 2.99Å; M252-V254 VanDerWaalsContact C-N 3.27Å; M252-V254 PolarHBondContact O-N 3.15Å; V254-G256 PolarHBondContact O-N 2.89Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 3.09Å; V254-F258 WeakPolarHBondContact O-CB 3.5Å; V254-F258 PolarHBondContact O-N 3.12Å; V254-L310 HydrophobicContact CG2-CD2 4.27Å; V254-I329 HydrophobicContact CB-CG2 4.44Å; V254-I329 HydrophobicContact CG1-CB 4.23Å; V254-I329 HydrophobicContact CG1-CD1 3.81Å; V254-I329 HydrophobicContact CG1-CG1 3.87Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.28Å
255A93.9Very high90.7Very high1 Ų17.2 Ų7.21%0.0084%0.039CC..Hα-helixtrans-54.7-35.8-175.400000113.7M128 L131 W144 T251 M252 L259M128-A255 HydrophobicContact CE-CB 4.46Å; L131-A255 HydrophobicContact CD1-CB 3.8Å; L131-A255 HydrophobicContact CD2-CB 4.26Å; W144-A255 HydrophobicContact CZ3-CB 4.41Å; T251-A255 PolarHBondContact O-N 2.91Å; M252-A255 WeakPolarHBondContact O-CB 3.32Å; M252-A255 PolarHBondContact O-N 3.43Å; A255-L259 WeakPolarHBondContact O-CB 3.5Å; A255-L259 PolarHBondContact O-N 3.04Å
256G93.9Very high90.5Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-65.9-42.4176.700000113.6A220 V254 L259 L260A220-G256 VanDerWaalsContact CB-O 3.26Å; A220-G256 WeakPolarHBondContact CB-O 3.44Å; V254-G256 PolarHBondContact O-N 2.89Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-L259 PolarHBondContact O-N 2.85Å; G256-L260 PolarHBondContact O-N 3.22Å
257I96.1Very high90.3Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-71.9-40.2177-67157.2000109.8V254 L259 L260 I261 L310 M313 I317 I329V254-I257 PolarHBondContact O-N 3.09Å; I257-L259 VanDerWaalsContact C-N 3.29Å; I257-L259 PolarHBondContact O-N 3.31Å; I257-L260 PolarHBondContact O-N 3.2Å; I257-L260 VanDerWaalsContact O-N 3.11Å; I257-I261 HydrophobicContact CG2-CD1 3.88Å; I257-I261 WeakPolarHBondContact O-CG1 3.46Å; I257-I261 PolarHBondContact O-N 3.42Å; I257-L310 HydrophobicContact CD1-CB 3.78Å; I257-L310 HydrophobicContact CD1-CD2 3.33Å; I257-L310 HydrophobicContact CD1-CG 4.14Å; I257-M313 HydrophobicContact CD1-CB 3.82Å; I257-M313 HydrophobicContact CD1-CG 4.48Å; I257-M313 HydrophobicContact CD1-SD 3.88Å; I257-M313 HydrophobicContact CG1-CB 4.49Å; I257-M313 HydrophobicContact CG2-CB 3.93Å; I257-I317 HydrophobicContact CG2-CD1 3.62Å; I257-I329 HydrophobicContact CB-CD1 4.4Å; I257-I329 HydrophobicContact CG2-CD1 3.73Å
258F95.9Very high90.3Very high1 Ų112.1 Ų12.10%0.0046%0.064CC..Hα-helixtrans-57.9-41.2174.9-177.7-95.1000112.1F85 L131 V132 V254 L260 I261 R262 F326F85-F258 HydrophobicContact CB-CE2 3.92Å; F85-F258 HydrophobicContact CB-CZ 4.38Å; L131-F258 HydrophobicContact CD2-CD1 3.85Å; L131-F258 HydrophobicContact CD2-CE1 4.21Å; V132-F258 HydrophobicContact CB-CE1 4.28Å; V132-F258 HydrophobicContact CB-CZ 4Å; V132-F258 HydrophobicContact CG1-CE1 4.42Å; V132-F258 HydrophobicContact CG1-CE2 4.07Å; V132-F258 HydrophobicContact CG1-CZ 3.66Å; V132-F258 HydrophobicContact CG2-CE1 4.19Å; V132-F258 HydrophobicContact CG2-CE2 4.44Å; V132-F258 HydrophobicContact CG2-CZ 4.09Å; V132-F258 WeakPolarHBondContact O-CZ 3.38Å; V254-F258 WeakPolarHBondContact O-CB 3.5Å; V254-F258 PolarHBondContact O-N 3.12Å; F258-L260 PolarHBondContact O-N 2.76Å; F258-I261 WeakPolarHBondContact O-CB 3.45Å; F258-I261 PolarHBondContact O-N 3.41Å; F258-R262 HydrophobicContact CD1-CG 4.01Å; F258-R262 HydrophobicContact CE1-CG 3.67Å; F258-R262 VanDerWaalsContact CE1-NE 3.32Å; F258-R262 HydrophobicContact CZ-CG 4.12Å; F258-R262 VanDerWaalsContact O-CG 3.32Å; F258-R262 WeakPolarHBondContact O-CG 3.28Å; F258-R262 PolarHBondContact O-N 3.37Å; F258-F326 HydrophobicContact CD2-CE2 4.4Å; F258-F326 HydrophobicContact CE2-CE2 4.24Å
259L95.6Very high90.6Very high1 Ų116.2 Ų16.21%0.0059%0.086CC..Hα-helixtrans-57.6-46.5173.3173.1165.4000111.5W144 F182 L216 A219 A255 G256 I257 I261 R262 F263W144-L259 HydrophobicContact CE3-CD1 4.18Å; W144-L259 HydrophobicContact CH2-CD1 3.81Å; W144-L259 HydrophobicContact CZ3-CB 4.21Å; W144-L259 HydrophobicContact CZ3-CD1 3.57Å; F182-L259 HydrophobicContact CD2-CD1 3.47Å; F182-L259 VanDerWaalsContact CD2-CD1 3.47Å; F182-L259 HydrophobicContact CE2-CD1 3.38Å; F182-L259 HydrophobicContact CE2-CG 4.46Å; L216-L259 HydrophobicContact CB-CD2 3.83Å; L216-L259 HydrophobicContact CD2-CD1 4.26Å; L216-L259 HydrophobicContact CD2-CD2 3.6Å; L216-L259 HydrophobicContact CD2-CG 4.21Å; L216-L259 HydrophobicContact CG-CD2 4.2Å; A219-L259 HydrophobicContact CB-CD1 4.35Å; A255-L259 WeakPolarHBondContact O-CB 3.5Å; A255-L259 PolarHBondContact O-N 3.04Å; G256-L259 PolarHBondContact O-N 2.85Å; I257-L259 VanDerWaalsContact C-N 3.29Å; I257-L259 PolarHBondContact O-N 3.31Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 2.89Å; L259-R262 WeakPolarHBondContact O-CB 3.48Å; L259-R262 PolarHBondContact O-N 3.44Å; L259-F263 HydrophobicContact CD2-CD2 4.21Å; L259-F263 HydrophobicContact CG-CD2 4.31Å; L259-F263 HydrophobicContact CG-CE2 4.48Å; L259-F263 VanDerWaalsContact O-CD2 3.25Å; L259-F263 WeakPolarHBondContact O-CD2 3.26Å; L259-F263 PolarHBondContact O-N 3.3Å; L259-F263 VanDerWaalsContact O-N 3.16Å
260L95.4Very high91.1Very high12 Ų1216.8 Ų16.86%0.0639%0.09CC..Hα-helixtrans-66.1-36.3177.7-68.9175.4000112.6L216 A220 G256 I257 F258 R262 F263 H264 M314 I317L216-L260 HydrophobicContact CB-CD2 4.23Å; A220-L260 HydrophobicContact CB-CD1 3.47Å; A220-L260 VanDerWaalsContact CB-CD1 3.47Å; A220-L260 HydrophobicContact CB-CD2 4.28Å; A220-L260 HydrophobicContact CB-CG 3.68Å; G256-L260 PolarHBondContact O-N 3.22Å; I257-L260 PolarHBondContact O-N 3.2Å; I257-L260 VanDerWaalsContact O-N 3.11Å; F258-L260 PolarHBondContact O-N 2.76Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-F263 CarbonylContact O-C 3.59Å; L260-F263 PolarHBondContact O-N 3.32Å; L260-H264 PolarHBondContact O-N 3.15Å; L260-M314 HydrophobicContact CD1-CE 3.49Å; L260-M314 VanDerWaalsContact CD1-CE 3.49Å; L260-M314 HydrophobicContact CD1-SD 3.4Å; L260-M314 WeakPolarHBondContact CD1-SD 3.31Å; L260-I317 HydrophobicContact CB-CD1 3.92Å; L260-I317 HydrophobicContact CB-CG2 4.4Å; L260-I317 HydrophobicContact CD1-CD1 4.48Å
261I94.9Very high91.8Very high1 Ų121.3 Ų21.31%0.00512%0.119CC..Hα-helixtrans-61.7-42173.7-69.7163.3000110.6F85 I257 F258 L259 F263 H264 I317 P322 A325 F326 I329F85-I261 HydrophobicContact CD1-CG2 3.71Å; F85-I261 HydrophobicContact CD2-CG2 4.18Å; F85-I261 HydrophobicContact CE1-CG2 3.29Å; F85-I261 HydrophobicContact CE2-CG2 3.81Å; F85-I261 HydrophobicContact CG-CG2 4.15Å; F85-I261 HydrophobicContact CZ-CG2 3.35Å; I257-I261 HydrophobicContact CG2-CD1 3.88Å; I257-I261 WeakPolarHBondContact O-CG1 3.46Å; I257-I261 PolarHBondContact O-N 3.42Å; F258-I261 WeakPolarHBondContact O-CB 3.45Å; F258-I261 PolarHBondContact O-N 3.41Å; L259-I261 VanDerWaalsContact C-N 3.34Å; L259-I261 PolarHBondContact O-N 2.89Å; I261-F263 VanDerWaalsContact C-N 3.29Å; I261-F263 PolarHBondContact O-N 2.86Å; I261-H264 WeakPolarHBondContact O-CB 3.43Å; I261-H264 PolarHBondContact O-N 3.32Å; I261-I317 HydrophobicContact CD1-CD1 4.5Å; I261-I317 HydrophobicContact CG1-CD1 3.91Å; I261-I317 HydrophobicContact CG1-CG1 4.24Å; I261-P322 HydrophobicContact CG1-CB 4.34Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; I261-A325 HydrophobicContact CD1-CB 4.03Å; I261-A325 HydrophobicContact CG1-CB 4.39Å; I261-F326 HydrophobicContact CD1-CB 4.09Å; I261-I329 HydrophobicContact CD1-CD1 3.56Å
262R92.6Very high92.2Very high29 Ų2925.6 Ų25.611%0.10914%0.141CC..Hα-helixtrans-62.6-35.4176.9-71.7-69.9-171.3178.9-6.3113D83 V132 F258 L259 L260D83-R262 IonicContact OD1-CZ 3.86Å; D83-R262 VanDerWaalsContact OD1-CZ 3.27Å; D83-R262 IonicContact OD1-NH1 2.71Å; D83-R262 PolarHBondContact OD1-NH1 2.98Å; D83-R262 IonicContact OD1-NH2 2.55Å; D83-R262 PolarHBondContact OD1-NH2 3.11Å; D83-R262 IonicContact OD2-CZ 3.12Å; D83-R262 IonicContact OD2-NH1 3.31Å; D83-R262 PolarHBondContact OD2-NH1 3.34Å; D83-R262 IonicContact OD2-NH2 2.87Å; V132-R262 PolarHBondContact O-NH2 2.96Å; F258-R262 HydrophobicContact CD1-CG 4.01Å; F258-R262 HydrophobicContact CE1-CG 3.67Å; F258-R262 VanDerWaalsContact CE1-NE 3.32Å; F258-R262 HydrophobicContact CZ-CG 4.12Å; F258-R262 VanDerWaalsContact O-CG 3.32Å; F258-R262 WeakPolarHBondContact O-CG 3.28Å; F258-R262 PolarHBondContact O-N 3.37Å; L259-R262 WeakPolarHBondContact O-CB 3.48Å; L259-R262 PolarHBondContact O-N 3.44Å; L260-R262 VanDerWaalsContact C-N 3.33Å
263F90.8Very high92.3Very high7 Ų725.9 Ų25.93%0.03114%0.143CC..THydrogen-bonded Turntrans-95.916.2178-69.7-70.4000113.5L137 L140 P198 M201 L216 L259 L260 I261 P265 L266 A267L137-F263 HydrophobicContact CD1-CZ 4.18Å; L137-F263 HydrophobicContact CD2-CE1 4.31Å; L137-F263 HydrophobicContact CD2-CE2 3.63Å; L137-F263 HydrophobicContact CD2-CZ 3.24Å; L137-F263 HydrophobicContact CG-CZ 3.76Å; L140-F263 HydrophobicContact CD1-CE2 4.49Å; P198-F263 HydrophobicContact CB-CD1 4.44Å; P198-F263 HydrophobicContact CB-CE1 3.75Å; P198-F263 HydrophobicContact CB-CZ 4.28Å; M201-F263 HydrophobicContact CE-CD1 4.19Å; M201-F263 HydrophobicContact CE-CE1 3.58Å; L216-F263 HydrophobicContact CD1-CB 3.99Å; L216-F263 HydrophobicContact CD1-CD1 4.33Å; L216-F263 HydrophobicContact CD1-CD2 3.84Å; L216-F263 HydrophobicContact CD1-CG 3.77Å; L216-F263 HydrophobicContact CD2-CD2 4.1Å; L216-F263 HydrophobicContact CD2-CE2 4.23Å; L259-F263 HydrophobicContact CD2-CD2 4.21Å; L259-F263 HydrophobicContact CG-CD2 4.31Å; L259-F263 HydrophobicContact CG-CE2 4.48Å; L259-F263 VanDerWaalsContact O-CD2 3.25Å; L259-F263 WeakPolarHBondContact O-CD2 3.26Å; L259-F263 PolarHBondContact O-N 3.3Å; L259-F263 VanDerWaalsContact O-N 3.16Å; L260-F263 CarbonylContact O-C 3.59Å; L260-F263 PolarHBondContact O-N 3.32Å; I261-F263 VanDerWaalsContact C-N 3.29Å; I261-F263 PolarHBondContact O-N 2.86Å; F263-P265 VanDerWaalsContact C-CD 3.49Å; F263-L266 HydrophobicContact CD1-CD1 3.78Å; F263-L266 PolarHBondContact O-N 3.25Å; F263-A267 PolarHBondContact O-N 3.36Å; F263-A267 VanDerWaalsContact O-N 3.12Å
264H89.9Confident92.3Very high25 Ų2527.8 Ų27.812%0.11615%0.152CC..Hα-helixtrans-53.3-43.1178.3163.4-93.3000113.9L260 I261 L266 A267 E268 N320 P322L260-H264 PolarHBondContact O-N 3.15Å; I261-H264 WeakPolarHBondContact O-CB 3.43Å; I261-H264 PolarHBondContact O-N 3.32Å; H264-L266 PolarHBondContact O-N 3.06Å; H264-L266 VanDerWaalsContact O-N 3.1Å; H264-A267 PolarHBondContact O-N 2.9Å; H264-E268 IonicContact CE1-OE2 3.01Å; H264-E268 PolarHBondContact CE1-OE2 3.4Å; H264-E268 VanDerWaalsContact CE1-OE2 3.31Å; H264-E268 IonicContact NE2-OE2 3.87Å; H264-E268 PolarHBondContact O-N 2.92Å; H264-N320 PolarHBondContact CD2-OD1 2.9Å; H264-N320 PolarHBondContact NE2-OD1 3.33Å; H264-P322 HydrophobicContact CB-CB 3.99Å; H264-P322 HydrophobicContact CB-CG 4.06Å; H264-P322 VanDerWaalsContact CD2-CG 3.41Å; H264-P322 WeakPolarHBondContact CD2-CG 3.11Å; H264-P322 VanDerWaalsContact CG-CG 3.43Å
265P89.4Confident92.4Very high67 Ų6731 Ų3144%0.43517%0.172SC..Hα-helixtrans-58.7-28178.6-26.835.5000114A202 F263A202-P265 HydrophobicContact CB-CB 4.33Å; F263-P265 VanDerWaalsContact C-CD 3.49Å
266L88.5Confident92.5Very high4 Ų434.3 Ų34.32%0.02119%0.189CC..Hα-helixtrans-81.4-36.4173.5-62.1175.9000111.6F189 M201 A202 N205 P208 L213 F263 H264 E268F189-L266 HydrophobicContact CE1-CD1 4.23Å; F189-L266 HydrophobicContact CZ-CD1 4.04Å; M201-L266 HydrophobicContact CE-CD1 3.9Å; A202-L266 HydrophobicContact CB-CD2 4.48Å; N205-L266 HydrophobicContact CB-CD2 4.35Å; P208-L266 HydrophobicContact CB-CD2 4.39Å; P208-L266 HydrophobicContact CG-CB 4.45Å; P208-L266 WeakPolarHBondContact CG-O 3.32Å; L213-L266 HydrophobicContact CD2-CB 3.96Å; F263-L266 HydrophobicContact CD1-CD1 3.78Å; F263-L266 PolarHBondContact O-N 3.25Å; H264-L266 PolarHBondContact O-N 3.06Å; H264-L266 VanDerWaalsContact O-N 3.1Å; L266-E268 VanDerWaalsContact C-N 3.34Å
267A88.2Confident92.6Very high12 Ų1234.4 Ų34.410%0.09919%0.189CC..Hα-helixtrans-70.6-30.4-179.900000112.7F263 H264 N269 S270 I273 Q274F263-A267 PolarHBondContact O-N 3.36Å; F263-A267 VanDerWaalsContact O-N 3.12Å; H264-A267 PolarHBondContact O-N 2.9Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.49Å; A267-S270 PolarHBondContact O-N 2.96Å; A267-S270 VanDerWaalsContact O-N 3.17Å; A267-S270 PolarHBondContact O-OG 3.05Å; A267-S270 VanDerWaalsContact O-OG 3.08Å; A267-I273 HydrophobicContact CB-CG2 4.4Å; A267-Q274 PolarHBondContact O-NE2 2.88Å
268E88.4Confident92.6Very high90 Ų9034.8 Ų34.842%0.42119%0.192SC..THydrogen-bonded Turntrans-57-38.7-178.1-178.6157.3-149.300113.1H264 L266 S270 Q274 N320H264-E268 IonicContact CE1-OE2 3.01Å; H264-E268 PolarHBondContact CE1-OE2 3.4Å; H264-E268 VanDerWaalsContact CE1-OE2 3.31Å; H264-E268 IonicContact NE2-OE2 3.87Å; H264-E268 PolarHBondContact O-N 2.92Å; L266-E268 VanDerWaalsContact C-N 3.34Å; E268-S270 PolarHBondContact O-N 3.48Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 2.98Å; E268-N320 PolarHBondContact OE1-ND2 2.94Å
269N86.8Confident92.7Very high87 Ų8736.3 Ų36.347%0.46520%0.202SC..THydrogen-bonded Turntrans-79.9-2.9-176.3-63.4-13000113.7A206 P208 A267A206-N269 PolarHBondContact O-ND2 3.13Å; P208-N269 HydrophobicContact CG-CB 4.49Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.49Å
270S90.3Very high92.8Very high12 Ų1238.1 Ų38.18%0.08421%0.211CC..  trans-123.894.2-169.269.60000112.5L213 A267 E268 L272 I273 Q274L213-S270 VanDerWaalsContact CD1-OG 3.31Å; L213-S270 WeakPolarHBondContact CD1-OG 3.33Å; A267-S270 PolarHBondContact O-N 2.96Å; A267-S270 VanDerWaalsContact O-N 3.17Å; A267-S270 PolarHBondContact O-OG 3.05Å; A267-S270 VanDerWaalsContact O-OG 3.08Å; E268-S270 PolarHBondContact O-N 3.48Å; S270-L272 VanDerWaalsContact C-N 3.25Å; S270-L272 PolarHBondContact O-N 2.62Å; S270-I273 PolarHBondContact O-N 3.41Å; S270-I273 VanDerWaalsContact O-N 3.11Å; S270-I273 WeakPolarHBondContact OG-CB 3.23Å; S270-I273 WeakPolarHBondContact OG-CD1 3.23Å; S270-I273 WeakPolarHBondContact OG-CG1 3.44Å; S270-Q274 PolarHBondContact O-N 3.19Å
271P91.2Very high92.9Very high95 Ų9537.5 Ų37.562%0.61721%0.208SC*.Hα-helixtrans-65.6-28.1-174.125.5-34.4000112.9I273 Q274 T275P271-I273 VanDerWaalsContact C-N 3.32Å; P271-I273 PolarHBondContact O-N 3.33Å; P271-Q274 PolarHBondContact O-N 3Å; P271-T275 WeakPolarHBondContact O-CG2 3.37Å; P271-T275 PolarHBondContact O-N 2.97Å; P271-T275 PolarHBondContact O-OG1 2.64Å
272L94.3Very high93Very high92 Ų9237.5 Ų37.548%0.48221%0.208SC..Hα-helixtrans-64.1-36.7176.2-173.266.5000112L210 S270 T275 L276L210-L272 HydrophobicContact CD1-CD2 3.8Å; L210-L272 HydrophobicContact CD1-CG 4.43Å; L210-L272 HydrophobicContact CD2-CD2 3.7Å; L210-L272 HydrophobicContact CG-CD2 4.42Å; S270-L272 VanDerWaalsContact C-N 3.25Å; S270-L272 PolarHBondContact O-N 2.62Å; L272-T275 WeakPolarHBondContact CA-OG1 3.19Å; L272-T275 PolarHBondContact O-OG1 3.03Å; L272-L276 HydrophobicContact CG-CD1 4.23Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.18Å; L272-L276 PolarHBondContact O-N 3.28Å
273I94.6Very high93.2Very high7 Ų738.9 Ų38.94%0.03622%0.217CC..Hα-helixtrans-72.8-43.1179.2-73.959.6000109.1L210 L213 A267 S270 P271 T275 L276 T277L210-I273 HydrophobicContact CD1-CD1 3.12Å; L210-I273 HydrophobicContact CD1-CG1 4.16Å; L213-I273 HydrophobicContact CB-CD1 4.23Å; L213-I273 HydrophobicContact CB-CG1 3.51Å; L213-I273 HydrophobicContact CD1-CD1 4.11Å; L213-I273 HydrophobicContact CD1-CG1 3.83Å; L213-I273 HydrophobicContact CG-CG1 4.28Å; A267-I273 HydrophobicContact CB-CG2 4.4Å; S270-I273 PolarHBondContact O-N 3.41Å; S270-I273 VanDerWaalsContact O-N 3.11Å; S270-I273 WeakPolarHBondContact OG-CB 3.23Å; S270-I273 WeakPolarHBondContact OG-CD1 3.23Å; S270-I273 WeakPolarHBondContact OG-CG1 3.44Å; P271-I273 VanDerWaalsContact C-N 3.32Å; P271-I273 PolarHBondContact O-N 3.33Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.42Å; I273-L276 PolarHBondContact O-N 3.21Å; I273-T277 HydrophobicContact CG2-CG2 4.01Å; I273-T277 WeakPolarHBondContact O-CB 3.35Å; I273-T277 WeakPolarHBondContact O-CG2 3.43Å; I273-T277 PolarHBondContact O-N 2.93Å; I273-T277 PolarHBondContact O-OG1 3.25Å
274Q94.1Very high93.5Very high39 Ų3938.6 Ų38.618%0.18222%0.216CC..Hα-helixtrans-58-44.9176.1-71.6173.911.600111.5A267 E268 S270 P271 T277 L278 G318A267-Q274 PolarHBondContact O-NE2 2.88Å; E268-Q274 VanDerWaalsContact CA-NE2 3.3Å; E268-Q274 PolarHBondContact O-NE2 2.98Å; S270-Q274 PolarHBondContact O-N 3.19Å; P271-Q274 PolarHBondContact O-N 3Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.41Å; Q274-T277 PolarHBondContact O-OG1 3.49Å; Q274-L278 WeakPolarHBondContact O-CB 3.4Å; Q274-L278 PolarHBondContact O-N 3.02Å; Q274-G318 WeakPolarHBondContact CB-O 3.36Å; Q274-G318 WeakPolarHBondContact O-CA 3.43Å
275T95.4Very high93.9Very high69 Ų6937.6 Ų37.642%0.42321%0.211SC..Hα-helixtrans-67.2-40.6176.451.30000112.9P271 L272 I273 L278 C279P271-T275 WeakPolarHBondContact O-CG2 3.37Å; P271-T275 PolarHBondContact O-N 2.97Å; P271-T275 PolarHBondContact O-OG1 2.64Å; L272-T275 WeakPolarHBondContact CA-OG1 3.19Å; L272-T275 PolarHBondContact O-OG1 3.03Å; I273-T275 VanDerWaalsContact C-N 3.32Å; I273-T275 PolarHBondContact O-N 3.42Å; T275-L278 PolarHBondContact O-N 3.29Å; T275-C279 WeakPolarHBondContact O-CB 3.31Å; T275-C279 PolarHBondContact O-N 2.84Å; T275-C279 PolarHBondContact O-SG 2.89Å
276L96Very high94.2Very high70 Ų7036.7 Ų36.737%0.36620%0.203SC..Hα-helixtrans-64.9-44.3175.6-73.8172.3000112.3L214 L217 L272 I273 L280L214-L276 HydrophobicContact CD2-CD1 3.76Å; L217-L276 HydrophobicContact CD1-CB 4.11Å; L272-L276 HydrophobicContact CG-CD1 4.23Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.22Å; L272-L276 WeakPolarHBondContact O-CG 3.18Å; L272-L276 PolarHBondContact O-N 3.28Å; I273-L276 PolarHBondContact O-N 3.21Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 PolarHBondContact O-N 2.99Å
277T96.2Very high94.6Very high2 Ų238.1 Ų38.11%0.01221%0.209CC..Hα-helixtrans-61.7-46176.652.60000110.9L217 I273 Q274 L280 G281 M314 G318L217-T277 HydrophobicContact CD1-CG2 3.64Å; I273-T277 HydrophobicContact CG2-CG2 4.01Å; I273-T277 WeakPolarHBondContact O-CB 3.35Å; I273-T277 WeakPolarHBondContact O-CG2 3.43Å; I273-T277 PolarHBondContact O-N 2.93Å; I273-T277 PolarHBondContact O-OG1 3.25Å; Q274-T277 WeakPolarHBondContact CA-OG1 3.41Å; Q274-T277 PolarHBondContact O-OG1 3.49Å; T277-L280 PolarHBondContact O-N 3.36Å; T277-G281 PolarHBondContact O-N 3.31Å; T277-M314 HydrophobicContact CG2-CE 3.62Å; T277-M314 HydrophobicContact CG2-SD 4.4Å; T277-M314 WeakPolarHBondContact O-CG 3.47Å; T277-G318 WeakPolarHBondContact OG1-CA 3.43Å
278L96.8Very high95.1Very high9 Ų937.5 Ų37.55%0.04720%0.204CC..Hα-helixtrans-58.3-52.3176.4-173.8104.9000112.1Q274 T275 G281 A282 V315 I319 N405 A408Q274-L278 WeakPolarHBondContact O-CB 3.4Å; Q274-L278 PolarHBondContact O-N 3.02Å; T275-L278 PolarHBondContact O-N 3.29Å; L278-G281 PolarHBondContact O-N 3.43Å; L278-A282 WeakPolarHBondContact O-CB 3.4Å; L278-A282 PolarHBondContact O-N 3.23Å; L278-V315 HydrophobicContact CD1-CG1 3.92Å; L278-I319 HydrophobicContact CD1-CG2 3.41Å; L278-I319 VanDerWaalsContact CD1-CG2 3.41Å; L278-N405 HydrophobicContact CD2-CB 3.74Å; L278-A408 HydrophobicContact CD2-CB 3.41Å; L278-A408 VanDerWaalsContact CD2-CB 3.41Å; L278-A408 HydrophobicContact CG-CB 3.89Å
279C97.1Very high95.5Very high33 Ų3333.2 Ų33.222%0.22318%0.184CC..Hα-helixtrans-64.1-43.7-178.9-72.70000111.8T275 A282 I283T275-C279 WeakPolarHBondContact O-CB 3.31Å; T275-C279 PolarHBondContact O-N 2.84Å; T275-C279 PolarHBondContact O-SG 2.89Å; C279-A282 PolarHBondContact O-N 2.91Å; C279-I283 WeakPolarHBondContact O-CD1 3.26Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.38Å; C279-I283 PolarHBondContact O-N 3.18Å; C279-I283 VanDerWaalsContact O-N 3.1Å
280L97.4Very high95.9Very high38 Ų3831 Ų3120%0.19917%0.173CC..Hα-helixtrans-63.1-44178.3-178.8137.1000111.3L217 Q226 L276 T277 T284 M314L217-L280 HydrophobicContact CD2-CD1 4.37Å; Q226-L280 HydrophobicContact CB-CD2 3.51Å; Q226-L280 HydrophobicContact CB-CG 4.29Å; Q226-L280 HydrophobicContact CG-CD2 3.58Å; L276-L280 WeakPolarHBondContact O-CB 3.46Å; L276-L280 PolarHBondContact O-N 2.99Å; T277-L280 PolarHBondContact O-N 3.36Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.21Å; L280-T284 PolarHBondContact O-N 2.87Å; L280-T284 PolarHBondContact O-OG1 3.45Å; L280-M314 HydrophobicContact CD2-CE 3.87Å; L280-M314 HydrophobicContact CD2-CG 4.16Å
281G97.3Very high96.2Very high0 Ų030.4 Ų30.40%017%0.169CC..Hα-helixtrans-63.9-43.6174.800000113.4T277 L278 I283 T284 T285 G311T277-G281 PolarHBondContact O-N 3.31Å; L278-G281 PolarHBondContact O-N 3.43Å; G281-I283 PolarHBondContact O-N 3.16Å; G281-T284 WeakPolarHBondContact CA-OG1 3.43Å; G281-T284 PolarHBondContact O-N 2.95Å; G281-T284 PolarHBondContact O-OG1 3.09Å; G281-T285 WeakPolarHBondContact O-CG2 3.44Å; G281-T285 PolarHBondContact O-N 3.1Å; G281-G311 WeakPolarHBondContact CA-O 3.36Å
282A97.5Very high96.5Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-62-45-179.900000111.3L278 C279 T284 T285 L286 V315 A408 I411 T412L278-A282 WeakPolarHBondContact O-CB 3.4Å; L278-A282 PolarHBondContact O-N 3.23Å; C279-A282 PolarHBondContact O-N 2.91Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 3.17Å; A282-T285 PolarHBondContact O-N 2.93Å; A282-T285 PolarHBondContact O-OG1 2.97Å; A282-L286 PolarHBondContact O-N 2.69Å; A282-V315 HydrophobicContact CB-CG2 4.18Å; A282-A408 HydrophobicContact CB-CB 3.79Å; A282-I411 HydrophobicContact CB-CG2 4.27Å; A282-I411 VanDerWaalsContact O-CG2 3.24Å; A282-I411 WeakPolarHBondContact O-CG2 3.21Å; A282-T412 HydrophobicContact CB-CG2 4.17Å
283I97.2Very high96.5Very high58 Ų5823.7 Ų23.730%0.29713%0.129SC..Hα-helixtrans-64.4-38.3179.3-59.6161000111.2L227 C279 G281 L286 F287 W407L227-I283 HydrophobicContact CD1-CG2 4.05Å; L227-I283 HydrophobicContact CD2-CB 4.42Å; L227-I283 HydrophobicContact CD2-CG2 3.49Å; L227-I283 VanDerWaalsContact CD2-CG2 3.49Å; L227-I283 HydrophobicContact CG-CG2 4.24Å; C279-I283 WeakPolarHBondContact O-CD1 3.26Å; C279-I283 VanDerWaalsContact O-CG1 3.24Å; C279-I283 WeakPolarHBondContact O-CG1 3.38Å; C279-I283 PolarHBondContact O-N 3.18Å; C279-I283 VanDerWaalsContact O-N 3.1Å; G281-I283 PolarHBondContact O-N 3.16Å; I283-L286 PolarHBondContact O-N 2.86Å; I283-F287 VanDerWaalsContact O-CB 3.29Å; I283-F287 WeakPolarHBondContact O-CB 3.26Å; I283-F287 PolarHBondContact O-N 3.08Å; I283-W407 HydrophobicContact CD1-CH2 3.78Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.48Å; I283-W407 HydrophobicContact CG1-CZ3 3.92Å
284T97.4Very high96.5Very high2 Ų224.1 Ų24.11%0.01213%0.132CC..Hα-helixtrans-67.6-42.2178.552.60000112.6Q226 L227 L280 G281 A282 L286 F287 A288 G311Q226-T284 HydrophobicContact CB-CG2 3.88Å; Q226-T284 VanDerWaalsContact OE1-CG2 3.23Å; Q226-T284 PolarHBondContact OE1-OG1 3.04Å; L227-T284 HydrophobicContact CB-CG2 3.53Å; L280-T284 VanDerWaalsContact O-CG2 3.27Å; L280-T284 WeakPolarHBondContact O-CG2 3.21Å; L280-T284 PolarHBondContact O-N 2.87Å; L280-T284 PolarHBondContact O-OG1 3.45Å; G281-T284 WeakPolarHBondContact CA-OG1 3.43Å; G281-T284 PolarHBondContact O-N 2.95Å; G281-T284 PolarHBondContact O-OG1 3.09Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 3.17Å; T284-L286 VanDerWaalsContact C-N 3.27Å; T284-L286 PolarHBondContact O-N 3.42Å; T284-F287 PolarHBondContact O-N 2.83Å; T284-A288 VanDerWaalsContact O-CB 3.27Å; T284-A288 WeakPolarHBondContact O-CB 3.22Å; T284-A288 PolarHBondContact O-N 3.43Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.34Å
285T97.1Very high96.7Very high3 Ų323 Ų232%0.01813%0.126CC..Hα-helixtrans-54.9-46.7177.263.60000111.7G281 A282 A289 S308 L312 A415G281-T285 WeakPolarHBondContact O-CG2 3.44Å; G281-T285 PolarHBondContact O-N 3.1Å; A282-T285 PolarHBondContact O-N 2.93Å; A282-T285 PolarHBondContact O-OG1 2.97Å; T285-A289 WeakPolarHBondContact O-CB 3.45Å; T285-A289 PolarHBondContact O-N 3.03Å; T285-A289 VanDerWaalsContact O-N 3.1Å; T285-S308 VanDerWaalsContact CG2-O 3.22Å; T285-S308 WeakPolarHBondContact CG2-O 3.38Å; T285-L312 HydrophobicContact CG2-CB 4.06Å; T285-A415 WeakPolarHBondContact OG1-CB 3.32Å
286L97.2Very high96.7Very high48 Ų4821.1 Ų21.125%0.25111%0.114SC..Hα-helixtrans-69.9-51.2-178.5-175.371.4000111.6A282 I283 T284 A288 A289 V290 I411 I414 L418A282-L286 PolarHBondContact O-N 2.69Å; I283-L286 PolarHBondContact O-N 2.86Å; T284-L286 VanDerWaalsContact C-N 3.27Å; T284-L286 PolarHBondContact O-N 3.42Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 2.83Å; L286-A289 PolarHBondContact O-N 2.96Å; L286-V290 HydrophobicContact CD1-CG2 4.37Å; L286-V290 HydrophobicContact CG-CG2 4.4Å; L286-V290 WeakPolarHBondContact O-CG2 3Å; L286-V290 PolarHBondContact O-N 3.03Å; L286-I411 HydrophobicContact CB-CG2 3.55Å; L286-I411 HydrophobicContact CD1-CG2 4.36Å; L286-I411 HydrophobicContact CD2-CD1 4.44Å; L286-I411 HydrophobicContact CD2-CG1 4.43Å; L286-I411 HydrophobicContact CD2-CG2 3.92Å; L286-I411 HydrophobicContact CG-CG2 4.14Å; L286-I414 HydrophobicContact CD1-CB 4.34Å; L286-I414 HydrophobicContact CD1-CG2 3.79Å; L286-L418 HydrophobicContact CD1-CD1 4.36Å
287F97.1Very high96.7Very high34 Ų3419.9 Ų19.915%0.14911%0.107CC..Hα-helixtrans-58.7-46.6-176.6178.6-95.5000111.3L227 H230 I283 T284 V290 C291 F522L227-F287 HydrophobicContact CD1-CB 3.72Å; L227-F287 HydrophobicContact CD1-CD1 3.87Å; L227-F287 HydrophobicContact CD1-CD2 4.27Å; L227-F287 HydrophobicContact CD1-CG 3.66Å; H230-F287 AromaticContact CD2-CE1 3.53Å; H230-F287 AromaticContact CE1-CE1 3.77Å; H230-F287 AromaticContact NE2-CE1 3.2Å; H230-F287 WeakPolarHBondContact NE2-CE1 3.14Å; H230-F287 AromaticContact NE2-CZ 3.69Å; I283-F287 VanDerWaalsContact O-CB 3.29Å; I283-F287 WeakPolarHBondContact O-CB 3.26Å; I283-F287 PolarHBondContact O-N 3.08Å; T284-F287 PolarHBondContact O-N 2.83Å; F287-V290 PolarHBondContact O-N 3.09Å; F287-C291 PolarHBondContact O-N 2.84Å; F287-C291 PolarHBondContact O-SG 3.38Å; F287-F522 HydrophobicContact CE2-CZ 4.43Å
288A96.8Very high96.7Very high0 Ų019.8 Ų19.80%011%0.107CC..Hα-helixtrans-65.1-42177.900000112T284 L286 C291 A292 F304T284-A288 VanDerWaalsContact O-CB 3.27Å; T284-A288 WeakPolarHBondContact O-CB 3.22Å; T284-A288 PolarHBondContact O-N 3.43Å; L286-A288 VanDerWaalsContact C-N 3.32Å; L286-A288 PolarHBondContact O-N 2.83Å; A288-C291 PolarHBondContact O-N 2.91Å; A288-A292 WeakPolarHBondContact O-CB 3.44Å; A288-A292 PolarHBondContact O-N 3.18Å; A288-F304 HydrophobicContact CB-CD1 4.27Å
289A96.9Very high96.7Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-65.5-40178.800000112.6T285 L286 A292 L293 L418 Y422T285-A289 WeakPolarHBondContact O-CB 3.45Å; T285-A289 PolarHBondContact O-N 3.03Å; T285-A289 VanDerWaalsContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 2.96Å; A289-A292 PolarHBondContact O-N 2.67Å; A289-L293 PolarHBondContact O-N 3.12Å; A289-L418 HydrophobicContact CB-CB 3.75Å; A289-L418 HydrophobicContact CB-CD1 4.04Å; A289-Y422 HydrophobicContact CB-CE1 4.09Å
290V96.6Very high96.6Very high39 Ų3920.5 Ų20.524%0.23611%0.106CC..Hα-helixtrans-63.5-43.3175171.10000111.1L286 F287 L293 L418L286-V290 HydrophobicContact CD1-CG2 4.37Å; L286-V290 HydrophobicContact CG-CG2 4.4Å; L286-V290 WeakPolarHBondContact O-CG2 3Å; L286-V290 PolarHBondContact O-N 3.03Å; F287-V290 PolarHBondContact O-N 3.09Å; V290-L293 PolarHBondContact O-N 3.33Å; V290-L418 HydrophobicContact CG2-CD1 3.73Å
291C96.4Very high96.6Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-62.6-42.4175.9-66.30000111.5F287 A288 L293 T294 Q295 F304 L526F287-C291 PolarHBondContact O-N 2.84Å; F287-C291 PolarHBondContact O-SG 3.38Å; A288-C291 PolarHBondContact O-N 2.91Å; C291-L293 PolarHBondContact O-N 3.05Å; C291-L293 VanDerWaalsContact O-N 3.16Å; C291-T294 PolarHBondContact O-N 3.26Å; C291-Q295 WeakPolarHBondContact O-CG 3.1Å; 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 4.36Å; C291-F304 HydrophobicContact CB-CG 4.22Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; C291-L526 HydrophobicContact CB-CD2 3.84Å
292A96.4Very high96.6Very high0 Ų018.9 Ų18.90%010%0.097CC..Hα-helixtrans-59.6-27.6-178.600000114.2A288 A289 T294 F304 Y422A288-A292 WeakPolarHBondContact O-CB 3.44Å; A288-A292 PolarHBondContact O-N 3.18Å; A289-A292 PolarHBondContact O-N 2.67Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 3.01Å; A292-F304 HydrophobicContact CB-CB 3.73Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.1Å; A292-Y422 HydrophobicContact CB-CG 3.88Å
293L95Very high96.5Very high47 Ų4718.9 Ų18.925%0.24610%0.097CC..THydrogen-bonded Turntrans-64.1-33.1-176.2-71.3166.9000113.8A289 V290 C291 L418 A421 R425A289-L293 PolarHBondContact O-N 3.12Å; V290-L293 PolarHBondContact O-N 3.33Å; C291-L293 PolarHBondContact O-N 3.05Å; C291-L293 VanDerWaalsContact O-N 3.16Å; L293-L418 HydrophobicContact CD1-CD1 4.38Å; L293-L418 HydrophobicContact CD1-CD2 3.8Å; L293-L418 HydrophobicContact CD2-CD2 4.45Å; L293-A421 HydrophobicContact CD2-CB 3.95Å; L293-R425 WeakPolarHBondContact O-CD 3.27Å; L293-R425 PolarHBondContact O-NE 3.21Å; L293-R425 VanDerWaalsContact O-NE 3.08Å; L293-R425 PolarHBondContact O-NH1 2.58Å
294T95.4Very high96.5Very high16 Ų1616.2 Ų16.210%0.0988%0.083CC..THydrogen-bonded Turntrans-111.8-10.3-171.254.30000114.1C291 A292 R425 F520 S523 N524C291-T294 PolarHBondContact O-N 3.26Å; A292-T294 VanDerWaalsContact C-N 3.33Å; A292-T294 PolarHBondContact O-N 3.01Å; T294-R425 PolarHBondContact O-NH2 3.39Å; T294-F520 HydrophobicContact CG2-CD2 3.69Å; T294-F520 HydrophobicContact CG2-CE2 3.81Å; T294-S523 WeakPolarHBondContact CG2-OG 3.42Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 VanDerWaalsContact OG1-CB 3.22Å; T294-S523 WeakPolarHBondContact OG1-CB 3.25Å; T294-S523 PolarHBondContact OG1-OG 3.44Å; T294-N524 WeakPolarHBondContact OG1-CA 3.27Å; T294-N524 PolarHBondContact OG1-N 2.96Å
295Q96.4Very high96.4Very high16 Ų1616.1 Ų16.18%0.0758%0.083CC..  trans-62.6149.1172.9-66.2-58.1-3500111.6C291 I301 F304 R425 N524C291-Q295 WeakPolarHBondContact O-CG 3.1Å; Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.27Å; Q295-F304 HydrophobicContact CG-CD2 4.08Å; Q295-F304 HydrophobicContact CG-CE2 3.98Å; Q295-R425 PolarHBondContact O-NH2 3.44Å; Q295-R425 VanDerWaalsContact O-NH2 3.13Å; Q295-N524 PolarHBondContact NE2-O 2.87Å
296N96.3Very high96.4Very high29 Ų2916 Ų1616%0.1558%0.082CC..  trans-113-24.1-178.2-62.4-41.9000113.2I298 D355 I356 R425N296-I298 PolarHBondContact O-N 3.43Å; N296-D355 WeakPolarHBondContact CB-OD1 3.42Å; N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.27Å; N296-I356 WeakPolarHBondContact O-CG2 3.48Å; N296-I356 PolarHBondContact O-N 3.29Å; N296-R425 PolarHBondContact OD1-NH2 2.88Å; N296-R425 VanDerWaalsContact OD1-NH2 3.09Å
297D96.6Very high96.4Very high43 Ų4314 Ų1423%0.237%0.072CC..BIsolated β-bridgetrans-73.4120.1175.2-61.3-29.7000109.5K299 K300 I301D297-K299 PolarHBondContact O-N 3.13Å; D297-K300 HydrophobicContact CB-CB 4.04Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.93Å; D297-K300 PolarHBondContact O-N 2.86Å; D297-K300 WeakPolarHBondContact OD2-CD 2.97Å; D297-K300 VanDerWaalsContact OD2-CE 3.28Å; D297-K300 WeakPolarHBondContact OD2-CE 3.45Å; D297-K300 IonicContact OD2-NZ 3.98Å; D297-K300 PolarHBondContact OD2-NZ 2.84Å; D297-I301 WeakPolarHBondContact O-CG1 3.08Å; D297-I301 PolarHBondContact O-N 2.87Å
298I96.5Very high96.4Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-56.8-38.7-176.3-164.5171.1000111.8N296 I301 V302 I347 Q354 I356 M359 M426 T430N296-I298 PolarHBondContact O-N 3.43Å; I298-I301 PolarHBondContact O-N 3.32Å; I298-V302 WeakPolarHBondContact O-CG2 3.3Å; I298-V302 PolarHBondContact O-N 3.04Å; I298-V302 VanDerWaalsContact O-N 3.07Å; I298-I347 HydrophobicContact CG2-CD1 3.89Å; I298-I347 HydrophobicContact CG2-CG1 4.19Å; I298-Q354 PolarHBondContact N-O 3.25Å; I298-I356 HydrophobicContact CB-CG2 3.96Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I298-M359 HydrophobicContact CD1-SD 4.42Å; I298-M359 HydrophobicContact CG2-CE 4.28Å; I298-M426 HydrophobicContact CG1-CG 4.38Å; I298-T430 HydrophobicContact CD1-CG2 4.02Å
299K96.3Very high96.4Very high3 Ų312.6 Ų12.61%0.0137%0.066CC..Hα-helixtrans-63.6-43176.8-68-179.171.4-177.90112.1M237 G239 T241 D297 V302 A303 I347M237-K299 HydrophobicContact CB-CB 4.15Å; M237-K299 HydrophobicContact CG-CB 4.09Å; M237-K299 WeakPolarHBondContact O-CE 3.43Å; M237-K299 PolarHBondContact O-NZ 3.46Å; M237-K299 HydrophobicContact SD-CB 3.88Å; G239-K299 PolarHBondContact O-NZ 3.09Å; T241-K299 HydrophobicContact CG2-CD 3.95Å; D297-K299 PolarHBondContact O-N 3.13Å; K299-V302 PolarHBondContact O-N 2.66Å; K299-A303 VanDerWaalsContact O-CB 3.31Å; K299-A303 WeakPolarHBondContact O-CB 3.36Å; K299-A303 PolarHBondContact O-N 3.06Å; K299-I347 HydrophobicContact CD-CD1 3.96Å; K299-I347 HydrophobicContact CG-CD1 3.85Å
300K95.4Very high96.3Very high55 Ų5512.7 Ų12.724%0.2397%0.067CC..Hα-helixtrans-66.9-37.5178.3-68.2-178.1-176.4149.60111.6M237 D297 A303 F304M237-K300 HydrophobicContact CB-CG 4.47Å; M237-K300 HydrophobicContact CG-CG 4.3Å; D297-K300 HydrophobicContact CB-CB 4.04Å; D297-K300 HydrophobicContact CB-CD 4Å; D297-K300 HydrophobicContact CB-CG 3.93Å; D297-K300 PolarHBondContact O-N 2.86Å; D297-K300 WeakPolarHBondContact OD2-CD 2.97Å; D297-K300 VanDerWaalsContact OD2-CE 3.28Å; D297-K300 WeakPolarHBondContact OD2-CE 3.45Å; D297-K300 IonicContact OD2-NZ 3.98Å; D297-K300 PolarHBondContact OD2-NZ 2.84Å; K300-A303 WeakPolarHBondContact O-CB 3.48Å; K300-A303 PolarHBondContact O-N 3.41Å; K300-F304 WeakPolarHBondContact O-CD2 3.31Å; K300-F304 PolarHBondContact O-N 3.26Å
301I97.1Very high96.4Very high2 Ų210.8 Ų10.81%0.016%0.055CC..Hα-helixtrans-60.8-47.9174.3-60.8167.1000109.9Q295 D297 I298 A303 F304 S305 I356 M426Q295-I301 HydrophobicContact CB-CG1 3.93Å; Q295-I301 WeakPolarHBondContact O-CD1 3.27Å; D297-I301 WeakPolarHBondContact O-CG1 3.08Å; D297-I301 PolarHBondContact O-N 2.87Å; I298-I301 PolarHBondContact O-N 3.32Å; I301-A303 VanDerWaalsContact C-N 3.31Å; I301-A303 PolarHBondContact O-N 3.04Å; I301-F304 PolarHBondContact O-N 3.2Å; I301-S305 WeakPolarHBondContact O-CB 3.4Å; I301-S305 PolarHBondContact O-N 3.43Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.26Å; I301-M426 HydrophobicContact CG2-CE 4.23Å
302V96.6Very high96.4Very high1 Ų111.3 Ų11.31%0.0066%0.058CC..Hα-helixtrans-63.8-37.9177-177.10000110.9I298 K299 S305 T306 L339 F340 M426I298-V302 WeakPolarHBondContact O-CG2 3.3Å; I298-V302 PolarHBondContact O-N 3.04Å; I298-V302 VanDerWaalsContact O-N 3.07Å; K299-V302 PolarHBondContact O-N 2.66Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.25Å; V302-S305 CarbonylContact O-C 3.42Å; V302-S305 WeakPolarHBondContact O-CB 3.18Å; V302-S305 PolarHBondContact O-N 3.33Å; V302-S305 PolarHBondContact O-OG 3.47Å; V302-T306 PolarHBondContact O-N 2.91Å; V302-L339 HydrophobicContact CG1-CB 4.19Å; V302-L339 HydrophobicContact CG2-CB 4.49Å; V302-F340 HydrophobicContact CB-CD1 4.45Å; V302-F340 HydrophobicContact CB-CE1 3.99Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.98Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.74Å; V302-F340 HydrophobicContact CG1-CE1 3.83Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.06Å; V302-F340 HydrophobicContact CG1-CZ 3.5Å; V302-F340 VanDerWaalsContact CG1-CZ 3.5Å; V302-M426 HydrophobicContact CG2-CE 3.89Å
303A95.6Very high96.4Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-64.3-46.2176.300000113.7L233 M237 K299 K300 I301 S305 T306 S307L233-A303 HydrophobicContact CD2-CB 3.64Å; L233-A303 WeakPolarHBondContact CD2-O 3.5Å; M237-A303 HydrophobicContact CE-CB 3.45Å; M237-A303 VanDerWaalsContact CE-CB 3.45Å; M237-A303 HydrophobicContact CG-CB 3.89Å; M237-A303 HydrophobicContact SD-CB 3.77Å; K299-A303 VanDerWaalsContact O-CB 3.31Å; K299-A303 WeakPolarHBondContact O-CB 3.36Å; K299-A303 PolarHBondContact O-N 3.06Å; K300-A303 WeakPolarHBondContact O-CB 3.48Å; K300-A303 PolarHBondContact O-N 3.41Å; I301-A303 VanDerWaalsContact C-N 3.31Å; I301-A303 PolarHBondContact O-N 3.04Å; A303-S305 VanDerWaalsContact C-N 3.25Å; A303-S305 PolarHBondContact O-N 3.46Å; A303-T306 PolarHBondContact O-N 3.2Å; A303-T306 PolarHBondContact O-OG1 3.06Å; A303-S307 PolarHBondContact O-N 3.01Å
304F96.8Very high96.5Very high3 Ų39.1 Ų9.11%0.0135%0.046CC..Hα-helixtrans-65.1-34.6173.8-78.1-63.5000111.7P234 A288 C291 A292 Q295 K300 I301 T306 S307 S308 L526P234-F304 HydrophobicContact CB-CE1 4.35Å; P234-F304 HydrophobicContact CB-CE2 3.98Å; P234-F304 HydrophobicContact CB-CZ 3.66Å; P234-F304 HydrophobicContact CG-CD1 4.17Å; P234-F304 HydrophobicContact CG-CE1 3.36Å; P234-F304 HydrophobicContact CG-CE2 3.86Å; P234-F304 HydrophobicContact CG-CZ 3.14Å; 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 4.36Å; C291-F304 HydrophobicContact CB-CG 4.22Å; C291-F304 HydrophobicContact CB-CZ 4.18Å; A292-F304 HydrophobicContact CB-CB 3.73Å; Q295-F304 HydrophobicContact CG-CD2 4.08Å; Q295-F304 HydrophobicContact CG-CE2 3.98Å; K300-F304 WeakPolarHBondContact O-CD2 3.31Å; K300-F304 PolarHBondContact O-N 3.26Å; I301-F304 PolarHBondContact O-N 3.2Å; F304-T306 PolarHBondContact O-N 3.38Å; F304-S307 PolarHBondContact O-N 2.94Å; F304-S308 WeakPolarHBondContact O-CB 3.39Å; F304-S308 PolarHBondContact O-N 3.49Å; F304-L526 HydrophobicContact CE1-CD2 4.03Å; F304-L526 HydrophobicContact CE2-CD2 3.55Å; F304-L526 HydrophobicContact CZ-CD1 3.86Å; F304-L526 HydrophobicContact CZ-CD2 3.15Å; F304-L526 HydrophobicContact CZ-CG 4.11Å
305S96.7Very high96.6Very high0 Ų08.7 Ų8.70%04%0.044CC..Hα-helixtrans-65.5-25.5173.180.60000112.8I301 V302 A303 Q309 K336 Y422I301-S305 WeakPolarHBondContact O-CB 3.4Å; I301-S305 PolarHBondContact O-N 3.43Å; V302-S305 VanDerWaalsContact C-OG 3.31Å; V302-S305 WeakPolarHBondContact CA-OG 3.25Å; V302-S305 CarbonylContact O-C 3.42Å; V302-S305 WeakPolarHBondContact O-CB 3.18Å; V302-S305 PolarHBondContact O-N 3.33Å; V302-S305 PolarHBondContact O-OG 3.47Å; A303-S305 VanDerWaalsContact C-N 3.25Å; A303-S305 PolarHBondContact O-N 3.46Å; S305-Q309 VanDerWaalsContact O-CG 3.3Å; S305-Q309 WeakPolarHBondContact O-CG 3.28Å; S305-Q309 PolarHBondContact O-N 3.02Å; S305-K336 VanDerWaalsContact CB-NZ 3.32Å; S305-K336 PolarHBondContact O-NZ 2.98Å; S305-K336 PolarHBondContact OG-NZ 3.41Å; S305-Y422 WeakPolarHBondContact CB-OH 3.31Å
306T96.4Very high96.6Very high0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-75.2-46.4171.353.30000110.7H248 V302 A303 F304 S308 Q309 L310 K336 F340H248-T306 HydrophobicContact CB-CG2 4.23Å; H248-T306 WeakPolarHBondContact O-CG2 3.4Å; V302-T306 PolarHBondContact O-N 2.91Å; A303-T306 PolarHBondContact O-N 3.2Å; A303-T306 PolarHBondContact O-OG1 3.06Å; F304-T306 PolarHBondContact O-N 3.38Å; T306-S308 PolarHBondContact O-N 2.93Å; T306-Q309 PolarHBondContact O-N 3.2Å; T306-L310 VanDerWaalsContact O-CD1 3.3Å; T306-L310 WeakPolarHBondContact O-CD1 3.05Å; T306-L310 WeakPolarHBondContact O-CG 3.13Å; T306-L310 PolarHBondContact O-N 3.14Å; T306-K336 HydrophobicContact CG2-CD 3.63Å; T306-K336 HydrophobicContact CG2-CG 3.94Å; T306-F340 HydrophobicContact CG2-CE2 4.25Å
307S96.1Very high96.6Very high6 Ų66.9 Ų6.94%0.0424%0.035CC..Hα-helixtrans-55.9-39.5176176.10000111.8A303 F304 L310 G311A303-S307 PolarHBondContact O-N 3.01Å; F304-S307 PolarHBondContact O-N 2.94Å; S307-L310 PolarHBondContact O-N 3.46Å; S307-G311 PolarHBondContact O-N 3.16Å
308S96.9Very high96.5Very high3 Ų35.2 Ų5.22%0.0213%0.027CC..Hα-helixtrans-61.5-43.2174168.90000113.4T285 F304 T306 G311 L312T285-S308 VanDerWaalsContact CG2-O 3.22Å; T285-S308 WeakPolarHBondContact CG2-O 3.38Å; F304-S308 WeakPolarHBondContact O-CB 3.39Å; F304-S308 PolarHBondContact O-N 3.49Å; T306-S308 PolarHBondContact O-N 2.93Å; S308-G311 PolarHBondContact O-N 2.73Å; S308-L312 PolarHBondContact O-N 2.99Å
309Q97.3Very high96.4Very high2 Ų26.1 Ų6.11%0.0093%0.032CC..Hα-helixtrans-73.8-33.4178.7-62.5-60.5-20.500112.2S305 T306 G311 L312 M313 H328S305-Q309 VanDerWaalsContact O-CG 3.3Å; S305-Q309 WeakPolarHBondContact O-CG 3.28Å; S305-Q309 PolarHBondContact O-N 3.02Å; T306-Q309 PolarHBondContact O-N 3.2Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; Q309-L312 WeakPolarHBondContact O-CA 3.45Å; Q309-L312 WeakPolarHBondContact O-CB 3.18Å; Q309-L312 PolarHBondContact O-N 3.33Å; Q309-L312 VanDerWaalsContact O-N 3.09Å; Q309-M313 WeakPolarHBondContact O-CG 2.98Å; Q309-M313 PolarHBondContact O-N 2.89Å; Q309-H328 PolarHBondContact OE1-NE2 3.04Å
310L95.8Very high96.2Very high1 Ų17.8 Ų7.81%0.0054%0.041CC..Hα-helixtrans-67.3-34.9174.9-65.9158.4000111.7Q226 L233 V253 V254 I257 T306 S307 L312 M313 M314Q226-L310 PolarHBondContact NE2-O 2.98Å; L233-L310 HydrophobicContact CD1-CD1 4.44Å; V253-L310 HydrophobicContact CB-CD1 3.84Å; V253-L310 HydrophobicContact CG1-CD1 3.1Å; V253-L310 HydrophobicContact CG1-CD2 4.27Å; V253-L310 HydrophobicContact CG1-CG 4.29Å; V254-L310 HydrophobicContact CG2-CD2 4.27Å; I257-L310 HydrophobicContact CD1-CB 3.78Å; I257-L310 HydrophobicContact CD1-CD2 3.33Å; I257-L310 HydrophobicContact CD1-CG 4.14Å; T306-L310 VanDerWaalsContact O-CD1 3.3Å; T306-L310 WeakPolarHBondContact O-CD1 3.05Å; T306-L310 WeakPolarHBondContact O-CG 3.13Å; T306-L310 PolarHBondContact O-N 3.14Å; S307-L310 PolarHBondContact O-N 3.46Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-M313 HydrophobicContact CD2-SD 3.96Å; L310-M313 PolarHBondContact O-N 3.5Å; L310-M314 PolarHBondContact O-N 3.4Å
311G97.2Very high96.2Very high0 Ų07.1 Ų7.10%04%0.039CC..Hα-helixtrans-63.8-37.8168.200000112.1G281 T284 S307 S308 Q309 M314 V315G281-G311 WeakPolarHBondContact CA-O 3.36Å; T284-G311 VanDerWaalsContact OG1-CA 3.23Å; T284-G311 WeakPolarHBondContact OG1-CA 3.34Å; S307-G311 PolarHBondContact O-N 3.16Å; S308-G311 PolarHBondContact O-N 2.73Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; G311-M314 WeakPolarHBondContact O-CB 3.36Å; G311-M314 PolarHBondContact O-N 3.32Å; G311-M314 VanDerWaalsContact O-N 3.12Å; G311-V315 WeakPolarHBondContact O-CG2 3.32Å; G311-V315 PolarHBondContact O-N 3.11Å
312L97.1Very high96Very high11 Ų117.1 Ų7.16%0.0584%0.039CC..Hα-helixtrans-66.1-39.7176.3-180144.8000110.9T285 S308 Q309 L310 M314 V315 T316 K392 I395 T416T285-L312 HydrophobicContact CG2-CB 4.06Å; S308-L312 PolarHBondContact O-N 2.99Å; Q309-L312 WeakPolarHBondContact O-CA 3.45Å; Q309-L312 WeakPolarHBondContact O-CB 3.18Å; Q309-L312 PolarHBondContact O-N 3.33Å; Q309-L312 VanDerWaalsContact O-N 3.09Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.44Å; L312-V315 WeakPolarHBondContact O-CB 3.45Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-T316 WeakPolarHBondContact O-CG2 3.22Å; L312-T316 PolarHBondContact O-N 3.39Å; L312-K392 HydrophobicContact CD1-CG 4.33Å; L312-I395 HydrophobicContact CD2-CB 4.49Å; L312-I395 HydrophobicContact CD2-CD1 3.67Å; L312-I395 HydrophobicContact CD2-CG2 3.84Å; L312-I395 HydrophobicContact CG-CG2 4.12Å; L312-T416 HydrophobicContact CD1-CG2 4.29Å
313M97.4Very high95.9Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-61.9-37.1170.6-63.7169-171.600112I257 Q309 L310 T316 I317 H328 I329 H332I257-M313 HydrophobicContact CD1-CB 3.82Å; I257-M313 HydrophobicContact CD1-CG 4.48Å; I257-M313 HydrophobicContact CD1-SD 3.88Å; I257-M313 HydrophobicContact CG1-CB 4.49Å; I257-M313 HydrophobicContact CG2-CB 3.93Å; Q309-M313 WeakPolarHBondContact O-CG 2.98Å; Q309-M313 PolarHBondContact O-N 2.89Å; L310-M313 HydrophobicContact CD2-SD 3.96Å; L310-M313 PolarHBondContact O-N 3.5Å; M313-T316 VanDerWaalsContact C-OG1 3.24Å; M313-T316 VanDerWaalsContact CA-OG1 3.28Å; M313-T316 WeakPolarHBondContact CA-OG1 3.35Å; M313-T316 PolarHBondContact O-N 3.45Å; M313-T316 PolarHBondContact O-OG1 3.03Å; M313-I317 WeakPolarHBondContact O-CG1 3.4Å; M313-I317 PolarHBondContact O-N 2.97Å; M313-H328 HydrophobicContact CE-CB 4.42Å; M313-H328 WeakPolarHBondContact CE-CD2 3.35Å; M313-H328 HydrophobicContact CG-CB 4.45Å; M313-I329 HydrophobicContact CE-CG1 4.01Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.48Å; M313-I329 WeakPolarHBondContact SD-CG1 3.49Å; M313-H332 HydrophobicContact CE-CB 3.64Å
314M96.8Very high95.8Very high0 Ų09.9 Ų9.90%05%0.052CC..Hα-helixtrans-67.7-38.6175.9-16964.9164.500112L217 L260 T277 L280 L310 G311 L312 T316 I317 G318L217-M314 HydrophobicContact CD1-CE 4.21Å; L217-M314 HydrophobicContact CG-CE 4.25Å; L260-M314 HydrophobicContact CD1-CE 3.49Å; L260-M314 VanDerWaalsContact CD1-CE 3.49Å; L260-M314 HydrophobicContact CD1-SD 3.4Å; L260-M314 WeakPolarHBondContact CD1-SD 3.31Å; T277-M314 HydrophobicContact CG2-CE 3.62Å; T277-M314 HydrophobicContact CG2-SD 4.4Å; T277-M314 WeakPolarHBondContact O-CG 3.47Å; L280-M314 HydrophobicContact CD2-CE 3.87Å; L280-M314 HydrophobicContact CD2-CG 4.16Å; L310-M314 PolarHBondContact O-N 3.4Å; G311-M314 WeakPolarHBondContact O-CB 3.36Å; G311-M314 PolarHBondContact O-N 3.32Å; G311-M314 VanDerWaalsContact O-N 3.12Å; L312-M314 VanDerWaalsContact C-N 3.3Å; L312-M314 PolarHBondContact O-N 3.44Å; M314-T316 VanDerWaalsContact C-N 3.3Å; M314-T316 PolarHBondContact O-N 3.47Å; M314-I317 PolarHBondContact O-N 2.91Å; M314-G318 PolarHBondContact O-N 2.9Å; M314-G318 VanDerWaalsContact O-N 3.08Å
315V97.2Very high95.7Very high7 Ų79.8 Ų9.84%0.0425%0.051CC..Hα-helixtrans-60.6-41.1171.9173.40000111L278 A282 G311 L312 I317 G318 I319 T412L278-V315 HydrophobicContact CD1-CG1 3.92Å; A282-V315 HydrophobicContact CB-CG2 4.18Å; G311-V315 WeakPolarHBondContact O-CG2 3.32Å; G311-V315 PolarHBondContact O-N 3.11Å; L312-V315 WeakPolarHBondContact O-CB 3.45Å; L312-V315 PolarHBondContact O-N 3.49Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.8Å; V315-G318 CarbonylContact O-C 3.5Å; V315-G318 WeakPolarHBondContact O-CA 3.4Å; V315-G318 PolarHBondContact O-N 3Å; V315-I319 PolarHBondContact O-N 3.47Å; V315-T412 HydrophobicContact CB-CG2 4.36Å; V315-T412 HydrophobicContact CG1-CG2 4.06Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å
316T96.2Very high95.7Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-64.7-33.1179.2510000113.9L312 M313 M314 G318 I319 Q321 A325 I395L312-T316 WeakPolarHBondContact O-CG2 3.22Å; L312-T316 PolarHBondContact O-N 3.39Å; M313-T316 VanDerWaalsContact C-OG1 3.24Å; M313-T316 VanDerWaalsContact CA-OG1 3.28Å; M313-T316 WeakPolarHBondContact CA-OG1 3.35Å; M313-T316 PolarHBondContact O-N 3.45Å; M313-T316 PolarHBondContact O-OG1 3.03Å; M314-T316 VanDerWaalsContact C-N 3.3Å; M314-T316 PolarHBondContact O-N 3.47Å; T316-G318 VanDerWaalsContact C-N 3.34Å; T316-I319 WeakPolarHBondContact O-CG1 3.43Å; T316-Q321 CarbonylContact O-C 3.59Å; T316-Q321 PolarHBondContact O-N 3.49Å; T316-A325 WeakPolarHBondContact OG1-CA 3.19Å; T316-A325 WeakPolarHBondContact OG1-CB 3.31Å; T316-I395 HydrophobicContact CG2-CB 3.81Å; T316-I395 HydrophobicContact CG2-CD1 3.66Å; T316-I395 HydrophobicContact CG2-CG1 3.4Å; T316-I395 HydrophobicContact CG2-CG2 3.17Å
317I95.5Very high95.6Very high8 Ų810.4 Ų10.44%0.0416%0.055CC..Hα-helixtrans-69.4-38.8172.3-64.9167.4000109.7I257 L260 I261 M313 M314 V315 I319 N320 A325I257-I317 HydrophobicContact CG2-CD1 3.62Å; L260-I317 HydrophobicContact CB-CD1 3.92Å; L260-I317 HydrophobicContact CB-CG2 4.4Å; L260-I317 HydrophobicContact CD1-CD1 4.48Å; I261-I317 HydrophobicContact CD1-CD1 4.5Å; I261-I317 HydrophobicContact CG1-CD1 3.91Å; I261-I317 HydrophobicContact CG1-CG1 4.24Å; M313-I317 WeakPolarHBondContact O-CG1 3.4Å; M313-I317 PolarHBondContact O-N 2.97Å; M314-I317 PolarHBondContact O-N 2.91Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 2.8Å; I317-I319 VanDerWaalsContact C-N 3.3Å; I317-I319 PolarHBondContact O-N 2.67Å; I317-N320 PolarHBondContact O-N 3.14Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.91Å
318G94.9Very high95.6Very high7 Ų710.1 Ų10.17%0.0725%0.053CC..Hα-helixtrans-65.4-24.7177.300000115.3Q274 T277 M314 V315 T316 N320Q274-G318 WeakPolarHBondContact CB-O 3.36Å; Q274-G318 WeakPolarHBondContact O-CA 3.43Å; T277-G318 WeakPolarHBondContact OG1-CA 3.43Å; M314-G318 PolarHBondContact O-N 2.9Å; M314-G318 VanDerWaalsContact O-N 3.08Å; V315-G318 CarbonylContact O-C 3.5Å; V315-G318 WeakPolarHBondContact O-CA 3.4Å; V315-G318 PolarHBondContact O-N 3Å; T316-G318 VanDerWaalsContact C-N 3.34Å; G318-N320 VanDerWaalsContact C-N 3.29Å
319I94.1Very high95.6Very high19 Ų1910 Ų1010%0.0975%0.052CC..THydrogen-bonded Turntrans-90.613.1171.365.9178.6000113.2L278 V315 T316 I317 Q321 A399 T404L278-I319 HydrophobicContact CD1-CG2 3.41Å; L278-I319 VanDerWaalsContact CD1-CG2 3.41Å; V315-I319 PolarHBondContact O-N 3.47Å; T316-I319 WeakPolarHBondContact O-CG1 3.43Å; I317-I319 VanDerWaalsContact C-N 3.3Å; I317-I319 PolarHBondContact O-N 2.67Å; I319-Q321 HydrophobicContact CD1-CB 4.47Å; I319-Q321 HydrophobicContact CD1-CG 4.36Å; I319-Q321 HydrophobicContact CG1-CB 4.18Å; I319-Q321 HydrophobicContact CG1-CG 4.16Å; I319-Q321 PolarHBondContact O-N 2.96Å; I319-A399 HydrophobicContact CD1-CB 4.18Å; I319-T404 HydrophobicContact CB-CG2 4.38Å; I319-T404 HydrophobicContact CG2-CG2 3.46Å; I319-T404 VanDerWaalsContact CG2-CG2 3.46Å
320N93.4Very high95.5Very high39 Ų399.9 Ų9.921%0.2095%0.051CC..THydrogen-bonded Turntrans63.735.4-180-15934.3000114.4H264 E268 I317 G318 P322H264-N320 PolarHBondContact CD2-OD1 2.9Å; H264-N320 PolarHBondContact NE2-OD1 3.33Å; E268-N320 PolarHBondContact OE1-ND2 2.94Å; I317-N320 PolarHBondContact O-N 3.14Å; G318-N320 VanDerWaalsContact C-N 3.29Å; N320-P322 VanDerWaalsContact C-CD 3.49Å; N320-P322 WeakPolarHBondContact O-CD 3.45Å
321Q93.9Very high95.5Very high40 Ų409.9 Ų9.919%0.1875%0.051CC..  trans-121.968.7177.2-65.7-63.3-32.200112.3T316 I319 H323 L324 A325 S476T316-Q321 CarbonylContact O-C 3.59Å; T316-Q321 PolarHBondContact O-N 3.49Å; I319-Q321 HydrophobicContact CD1-CB 4.47Å; I319-Q321 HydrophobicContact CD1-CG 4.36Å; I319-Q321 HydrophobicContact CG1-CB 4.18Å; I319-Q321 HydrophobicContact CG1-CG 4.16Å; I319-Q321 PolarHBondContact O-N 2.96Å; Q321-H323 PolarHBondContact O-N 2.97Å; Q321-L324 HydrophobicContact CB-CB 4.26Å; Q321-L324 HydrophobicContact CB-CD1 4.05Å; Q321-L324 HydrophobicContact CB-CG 4.45Å; Q321-L324 HydrophobicContact CG-CD1 4.31Å; Q321-L324 PolarHBondContact O-N 3.13Å; Q321-A325 PolarHBondContact O-N 2.66Å; Q321-S476 PolarHBondContact OE1-OG 3.12Å
322P93.9Very high95.4Very high2 Ų29.9 Ų9.91%0.0135%0.051CC..Hα-helixtrans-67.8-32.4-17633-42.2000113.4I261 H264 N320 L324 A325 F326I261-P322 HydrophobicContact CG1-CB 4.34Å; I261-P322 HydrophobicContact CG2-CB 4.3Å; H264-P322 HydrophobicContact CB-CB 3.99Å; H264-P322 HydrophobicContact CB-CG 4.06Å; H264-P322 VanDerWaalsContact CD2-CG 3.41Å; H264-P322 WeakPolarHBondContact CD2-CG 3.11Å; H264-P322 VanDerWaalsContact CG-CG 3.43Å; N320-P322 VanDerWaalsContact C-CD 3.49Å; N320-P322 WeakPolarHBondContact O-CD 3.45Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 3.37Å; P322-A325 WeakPolarHBondContact O-CB 3.34Å; P322-A325 PolarHBondContact O-N 3.22Å; P322-F326 WeakPolarHBondContact O-CB 3.21Å; P322-F326 PolarHBondContact O-N 2.76Å
323H93.8Very high95.4Very high54 Ų549.3 Ų9.325%0.255%0.048CC..Hα-helixtrans-66.7-37.5179.9-65.291.9000111.3Y84 F85 Q321 F326 L327Y84-H323 AromaticContact CE1-CD2 3.95Å; F85-H323 AromaticContact CZ-NE2 3.97Å; Q321-H323 PolarHBondContact O-N 2.97Å; H323-F326 PolarHBondContact O-N 2.85Å; H323-L327 WeakPolarHBondContact O-CB 3Å; H323-L327 PolarHBondContact O-N 3.06Å
324L94.1Very high95.3Very high6 Ų610 Ų103%0.0315%0.051CC..Hα-helixtrans-67.6-40.9172.3-74.4178.3000111.8Q321 P322 F326 L327 H328 H394 I395 T398 F478Q321-L324 HydrophobicContact CB-CB 4.26Å; Q321-L324 HydrophobicContact CB-CD1 4.05Å; Q321-L324 HydrophobicContact CB-CG 4.45Å; Q321-L324 HydrophobicContact CG-CD1 4.31Å; Q321-L324 PolarHBondContact O-N 3.13Å; P322-L324 VanDerWaalsContact C-N 3.34Å; P322-L324 PolarHBondContact O-N 3.37Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.25Å; L324-L327 PolarHBondContact O-N 3.11Å; L324-H328 PolarHBondContact O-N 3.24Å; L324-H394 HydrophobicContact CD2-CB 4.09Å; L324-I395 HydrophobicContact CB-CG1 4.26Å; L324-T398 HydrophobicContact CD1-CG2 3.84Å; L324-F478 HydrophobicContact CD2-CE1 4.1Å
325A95.9Very high95.3Very high0 Ų010 Ų100%05%0.051CC..Hα-helixtrans-57.1-46.1173.700000111I261 T316 I317 Q321 P322 H328 I329I261-A325 HydrophobicContact CD1-CB 4.03Å; I261-A325 HydrophobicContact CG1-CB 4.39Å; T316-A325 WeakPolarHBondContact OG1-CA 3.19Å; T316-A325 WeakPolarHBondContact OG1-CB 3.31Å; I317-A325 HydrophobicContact CD1-CB 4.49Å; I317-A325 HydrophobicContact CG1-CB 3.91Å; Q321-A325 PolarHBondContact O-N 2.66Å; P322-A325 WeakPolarHBondContact O-CB 3.34Å; P322-A325 PolarHBondContact O-N 3.22Å; A325-H328 PolarHBondContact O-N 2.83Å; A325-I329 WeakPolarHBondContact O-CG1 3.35Å; A325-I329 PolarHBondContact O-N 3.43Å
326F95.5Very high95.2Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-65.9-42177.3-178.3-99.2000112.9Y84 F85 M88 F89 F258 I261 P322 H323 L324 H328 I329 C330Y84-F326 HydrophobicContact CD1-CD1 4.27Å; Y84-F326 HydrophobicContact CD1-CE1 4.38Å; Y84-F326 AromaticContact CE1-CD1 3.46Å; Y84-F326 HydrophobicContact CE1-CD1 3.46Å; Y84-F326 VanDerWaalsContact CE1-CD1 3.46Å; Y84-F326 AromaticContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CE1 3.8Å; Y84-F326 HydrophobicContact CE1-CG 4.36Å; F85-F326 HydrophobicContact CB-CD2 4.4Å; F85-F326 HydrophobicContact CB-CE2 4.05Å; F85-F326 HydrophobicContact CB-CZ 4.34Å; F85-F326 HydrophobicContact CD1-CB 4Å; F85-F326 AromaticContact CD1-CD1 3.92Å; F85-F326 HydrophobicContact CD1-CD1 3.92Å; F85-F326 AromaticContact CD1-CD2 3.62Å; F85-F326 HydrophobicContact CD1-CD2 3.62Å; F85-F326 HydrophobicContact CD1-CE1 4.31Å; F85-F326 HydrophobicContact CD1-CE2 4.06Å; F85-F326 AromaticContact CD1-CG 3.54Å; F85-F326 HydrophobicContact CD1-CG 3.54Å; F85-F326 HydrophobicContact CD1-CZ 4.38Å; F85-F326 HydrophobicContact CE1-CB 3.97Å; F85-F326 HydrophobicContact CE1-CD1 4.44Å; F85-F326 HydrophobicContact CE1-CD2 4.42Å; F85-F326 HydrophobicContact CE1-CG 4.02Å; F85-F326 HydrophobicContact CG-CD2 4.43Å; F85-F326 WeakPolarHBondContact O-CE2 3.41Å; F85-F326 WeakPolarHBondContact O-CZ 3.3Å; M88-F326 HydrophobicContact CB-CE1 3.5Å; M88-F326 HydrophobicContact CB-CZ 3.71Å; M88-F326 HydrophobicContact CG-CE1 4.13Å; F89-F326 HydrophobicContact CB-CE2 4.02Å; F89-F326 HydrophobicContact CB-CZ 3.91Å; F89-F326 HydrophobicContact CD2-CE2 4.43Å; F258-F326 HydrophobicContact CD2-CE2 4.4Å; F258-F326 HydrophobicContact CE2-CE2 4.24Å; I261-F326 HydrophobicContact CD1-CB 4.09Å; P322-F326 WeakPolarHBondContact O-CB 3.21Å; P322-F326 PolarHBondContact O-N 2.76Å; H323-F326 PolarHBondContact O-N 2.85Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.25Å; F326-H328 VanDerWaalsContact C-N 3.25Å; F326-H328 PolarHBondContact O-N 2.83Å; F326-I329 VanDerWaalsContact O-CB 3.31Å; F326-I329 WeakPolarHBondContact O-CB 3.3Å; F326-I329 PolarHBondContact O-N 2.9Å; F326-I329 VanDerWaalsContact O-N 3.09Å; F326-C330 PolarHBondContact O-N 3.26Å
327L94.6Very high95.2Very high13 Ų139.7 Ų9.77%0.0685%0.049CC..Hα-helixtrans-59.1-41.9174.5-167.9148.7000110.8H323 L324 I329 C330 T331 I468 T469 I472H323-L327 WeakPolarHBondContact O-CB 3Å; H323-L327 PolarHBondContact O-N 3.06Å; L324-L327 PolarHBondContact O-N 3.11Å; L327-I329 PolarHBondContact O-N 2.88Å; L327-C330 PolarHBondContact O-N 3.33Å; L327-T331 HydrophobicContact CD2-CG2 4.03Å; L327-T331 WeakPolarHBondContact O-CG2 3.46Å; L327-T331 PolarHBondContact O-N 3.39Å; L327-T331 PolarHBondContact O-OG1 2.59Å; L327-I468 HydrophobicContact CD1-CG2 4.46Å; L327-I468 HydrophobicContact CG-CG2 4.41Å; L327-T469 HydrophobicContact CD1-CG2 3.66Å; L327-T469 HydrophobicContact CD2-CG2 4.28Å; L327-I472 HydrophobicContact CD1-CD1 3.55Å; L327-I472 HydrophobicContact CG-CD1 4.35Å
328H96.3Very high95.3Very high1 Ų19.3 Ų9.31%0.0055%0.047CC..Hα-helixtrans-64.8-37.2174.8-16554.3000112.6Q309 M313 L324 A325 F326 C330 T331 H332 S391 I395Q309-H328 PolarHBondContact OE1-NE2 3.04Å; M313-H328 HydrophobicContact CE-CB 4.42Å; M313-H328 WeakPolarHBondContact CE-CD2 3.35Å; M313-H328 HydrophobicContact CG-CB 4.45Å; L324-H328 PolarHBondContact O-N 3.24Å; A325-H328 PolarHBondContact O-N 2.83Å; F326-H328 VanDerWaalsContact C-N 3.25Å; F326-H328 PolarHBondContact O-N 2.83Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.5Å; H328-T331 PolarHBondContact O-N 3.23Å; H328-T331 PolarHBondContact O-OG1 3.42Å; H328-H332 WeakPolarHBondContact O-CA 3.42Å; H328-H332 WeakPolarHBondContact O-CB 3.28Å; H328-H332 PolarHBondContact O-N 3.03Å; H328-S391 WeakPolarHBondContact ND1-CB 3.45Å; H328-S391 PolarHBondContact ND1-OG 3.39Å; H328-I395 HydrophobicContact CB-CD1 3.8Å
329I96.3Very high95.4Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-56.2-48.2172.2-74.1162.4000110.7F89 V254 I257 I261 M313 A325 F326 L327 H332 A333F89-I329 HydrophobicContact CD2-CG2 4.19Å; F89-I329 HydrophobicContact CE2-CG2 4.03Å; V254-I329 HydrophobicContact CB-CG2 4.44Å; V254-I329 HydrophobicContact CG1-CB 4.23Å; V254-I329 HydrophobicContact CG1-CD1 3.81Å; V254-I329 HydrophobicContact CG1-CG1 3.87Å; V254-I329 HydrophobicContact CG1-CG2 3.32Å; V254-I329 HydrophobicContact CG2-CG2 4.28Å; I257-I329 HydrophobicContact CB-CD1 4.4Å; I257-I329 HydrophobicContact CG2-CD1 3.73Å; I261-I329 HydrophobicContact CD1-CD1 3.56Å; M313-I329 HydrophobicContact CE-CG1 4.01Å; M313-I329 HydrophobicContact CG-CG1 4.49Å; M313-I329 HydrophobicContact SD-CD1 4.42Å; M313-I329 HydrophobicContact SD-CG1 3.48Å; M313-I329 WeakPolarHBondContact SD-CG1 3.49Å; A325-I329 WeakPolarHBondContact O-CG1 3.35Å; A325-I329 PolarHBondContact O-N 3.43Å; F326-I329 VanDerWaalsContact O-CB 3.31Å; F326-I329 WeakPolarHBondContact O-CB 3.3Å; F326-I329 PolarHBondContact O-N 2.9Å; F326-I329 VanDerWaalsContact O-N 3.09Å; L327-I329 PolarHBondContact O-N 2.88Å; I329-H332 PolarHBondContact O-N 3.27Å; I329-A333 PolarHBondContact O-N 3.27Å; I329-A333 VanDerWaalsContact O-N 3.11Å
330C95.6Very high95.5Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-63.2-45.9-179.7-68.50000112.1V92 F326 L327 H328 F334 I468V92-C330 HydrophobicContact CG2-CB 4.34Å; F326-C330 PolarHBondContact O-N 3.26Å; L327-C330 PolarHBondContact O-N 3.33Å; H328-C330 VanDerWaalsContact C-N 3.32Å; H328-C330 PolarHBondContact O-N 3.5Å; C330-F334 WeakPolarHBondContact O-CD2 3.4Å; C330-F334 WeakPolarHBondContact O-CE2 3.34Å; C330-I468 HydrophobicContact CB-CD1 4.2Å
331T95.4Very high95.6Very high0 Ų06.2 Ų6.20%03%0.029CC..Hα-helixtrans-68.9-39.8179.260.40000111.8L327 H328 A333 F334 F335 T387 S391L327-T331 HydrophobicContact CD2-CG2 4.03Å; L327-T331 WeakPolarHBondContact O-CG2 3.46Å; L327-T331 PolarHBondContact O-N 3.39Å; L327-T331 PolarHBondContact O-OG1 2.59Å; H328-T331 PolarHBondContact O-N 3.23Å; H328-T331 PolarHBondContact O-OG1 3.42Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.55Å; T331-F334 PolarHBondContact O-N 3.41Å; T331-F335 VanDerWaalsContact C-CE1 3.49Å; T331-F335 WeakPolarHBondContact O-CD1 3.28Å; T331-F335 VanDerWaalsContact O-CE1 3.3Å; T331-F335 WeakPolarHBondContact O-CE1 3.3Å; T331-T387 WeakPolarHBondContact CG2-O 3.25Å; T331-S391 PolarHBondContact OG1-OG 2.88Å; T331-S391 VanDerWaalsContact OG1-OG 3.06Å
332H96.3Very high95.8Very high0 Ų04.3 Ų4.30%02%0.02CC..Hα-helixtrans-57.2-40.9176.8176.5-92.7000113.4S249 M313 H328 I329 F334 F335 K336S249-H332 PolarHBondContact O-ND1 3.19Å; M313-H332 HydrophobicContact CE-CB 3.64Å; H328-H332 WeakPolarHBondContact O-CA 3.42Å; H328-H332 WeakPolarHBondContact O-CB 3.28Å; H328-H332 PolarHBondContact O-N 3.03Å; I329-H332 PolarHBondContact O-N 3.27Å; H332-F334 VanDerWaalsContact C-N 3.27Å; H332-F334 PolarHBondContact O-N 3.44Å; H332-F335 VanDerWaalsContact CA-CE1 3.4Å; H332-F335 HydrophobicContact CB-CE1 4.35Å; H332-F335 HydrophobicContact CB-CE2 4.43Å; H332-F335 HydrophobicContact CB-CZ 3.93Å; H332-F335 AromaticContact CD2-CE2 3.89Å; H332-K336 VanDerWaalsContact CE1-CG 3.46Å; H332-K336 WeakPolarHBondContact CE1-CG 3.24Å; H332-K336 WeakPolarHBondContact NE2-CE 3.17Å; H332-K336 VanDerWaalsContact NE2-CG 3.27Å; H332-K336 WeakPolarHBondContact NE2-CG 3.42Å; H332-K336 VanDerWaalsContact O-CB 3.31Å; H332-K336 WeakPolarHBondContact O-CB 3.37Å; H332-K336 WeakPolarHBondContact O-CG 3.19Å; H332-K336 PolarHBondContact O-N 3.09Å
333A96.2Very high95.9Very high0 Ų04.2 Ų4.20%02%0.02CC..Hα-helixtrans-54.3-43.417900000112.3V92 V96 I329 T331 A337V92-A333 HydrophobicContact CG1-CB 3.7Å; V96-A333 HydrophobicContact CG2-CB 4.21Å; I329-A333 PolarHBondContact O-N 3.27Å; I329-A333 VanDerWaalsContact O-N 3.11Å; T331-A333 VanDerWaalsContact C-N 3.32Å; T331-A333 PolarHBondContact O-N 2.55Å; A333-A337 WeakPolarHBondContact O-CB 3.29Å; A333-A337 PolarHBondContact O-N 2.97Å
334F95.9Very high96Very high13 Ų131.6 Ų1.66%0.0571%0.008CC..Hα-helixtrans-67.2-57.8-178.3-65.6-81.4000112.6V92 F95 C330 T331 H332 K336 M338 L457 A464 I468V92-F334 HydrophobicContact CG1-CE2 4.02Å; V92-F334 HydrophobicContact CG1-CZ 4.22Å; V92-F334 HydrophobicContact CG2-CE2 4.12Å; V92-F334 HydrophobicContact CG2-CZ 4.14Å; 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 4.49Å; F95-F334 HydrophobicContact CE1-CD1 4.01Å; F95-F334 AromaticContact CE1-CE1 3.67Å; F95-F334 HydrophobicContact CE1-CE1 3.67Å; F95-F334 HydrophobicContact CG-CE1 4.35Å; C330-F334 WeakPolarHBondContact O-CD2 3.4Å; C330-F334 WeakPolarHBondContact O-CE2 3.34Å; T331-F334 PolarHBondContact O-N 3.41Å; H332-F334 VanDerWaalsContact C-N 3.27Å; H332-F334 PolarHBondContact O-N 3.44Å; F334-K336 PolarHBondContact O-N 3.45Å; F334-M338 WeakPolarHBondContact O-CB 3.36Å; F334-M338 PolarHBondContact O-N 3.49Å; F334-L457 HydrophobicContact CD1-CD2 4.27Å; F334-A464 HydrophobicContact CD2-CB 3.97Å; F334-A464 HydrophobicContact CE1-CB 4.22Å; F334-A464 HydrophobicContact CE2-CB 3.58Å; F334-A464 HydrophobicContact CG-CB 4.46Å; F334-A464 HydrophobicContact CZ-CB 3.72Å; F334-I468 HydrophobicContact CE2-CD1 4.38Å
335F95.4Very high96.2Very high1 Ų11.3 Ų1.30%0.0041%0.006CC..Hα-helixtrans-71.9-30.3-17358.9-106.9000112.6T331 H332 L339 A379 L380T331-F335 VanDerWaalsContact C-CE1 3.49Å; T331-F335 WeakPolarHBondContact O-CD1 3.28Å; T331-F335 VanDerWaalsContact O-CE1 3.3Å; T331-F335 WeakPolarHBondContact O-CE1 3.3Å; H332-F335 VanDerWaalsContact CA-CE1 3.4Å; H332-F335 HydrophobicContact CB-CE1 4.35Å; H332-F335 HydrophobicContact CB-CE2 4.43Å; H332-F335 HydrophobicContact CB-CZ 3.93Å; H332-F335 AromaticContact CD2-CE2 3.89Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.42Å; F335-L339 PolarHBondContact O-N 3.34Å; F335-A379 HydrophobicContact CB-CB 4.01Å; F335-A379 HydrophobicContact CD1-CB 4.27Å; F335-A379 HydrophobicContact CG-CB 4.29Å; F335-L380 HydrophobicContact CD2-CB 4.15Å; F335-L380 HydrophobicContact CE2-CB 4.14Å; F335-L380 HydrophobicContact CE2-CG 4.34Å
336K96.6Very high96.2Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-71.7-44.2174.7-70.1-59.4-166.8-179.90113.3S305 T306 H332 F334 M338 L339 F340 L380S305-K336 VanDerWaalsContact CB-NZ 3.32Å; S305-K336 PolarHBondContact O-NZ 2.98Å; S305-K336 PolarHBondContact OG-NZ 3.41Å; T306-K336 HydrophobicContact CG2-CD 3.63Å; T306-K336 HydrophobicContact CG2-CG 3.94Å; H332-K336 VanDerWaalsContact CE1-CG 3.46Å; H332-K336 WeakPolarHBondContact CE1-CG 3.24Å; H332-K336 WeakPolarHBondContact NE2-CE 3.17Å; H332-K336 VanDerWaalsContact NE2-CG 3.27Å; H332-K336 WeakPolarHBondContact NE2-CG 3.42Å; H332-K336 VanDerWaalsContact O-CB 3.31Å; H332-K336 WeakPolarHBondContact O-CB 3.37Å; H332-K336 WeakPolarHBondContact O-CG 3.19Å; H332-K336 PolarHBondContact O-N 3.09Å; F334-K336 PolarHBondContact O-N 3.45Å; K336-M338 PolarHBondContact O-N 2.91Å; K336-L339 HydrophobicContact CD-CD1 4.35Å; K336-L339 PolarHBondContact O-N 2.96Å; K336-F340 WeakPolarHBondContact O-CD2 3.39Å; K336-F340 PolarHBondContact O-N 3.07Å; K336-L380 HydrophobicContact CD-CD1 4.38Å
337A96.4Very high96.2Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-60.1-39.6175.700000110.2V96 A333 F340 M341 L457V96-A337 HydrophobicContact CG1-CB 3.61Å; A333-A337 WeakPolarHBondContact O-CB 3.29Å; A333-A337 PolarHBondContact O-N 2.97Å; A337-F340 PolarHBondContact O-N 3.47Å; A337-M341 WeakPolarHBondContact O-CG 3.47Å; A337-M341 PolarHBondContact O-N 2.87Å; A337-L457 HydrophobicContact CB-CD1 3.64Å
338M96.4Very high96.2Very high0 Ų03.7 Ų3.70%02%0.017CC..Hα-helixtrans-60.5-48.9172.9-170.6173.459.400112.7F334 K336 F340 M341 C342 S372 I375 L457 A458 S461F334-M338 WeakPolarHBondContact O-CB 3.36Å; F334-M338 PolarHBondContact O-N 3.49Å; K336-M338 PolarHBondContact O-N 2.91Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3.03Å; M338-M341 PolarHBondContact O-N 2.9Å; M338-C342 WeakPolarHBondContact O-CB 3.21Å; M338-C342 PolarHBondContact O-N 3.24Å; M338-C342 PolarHBondContact O-SG 3.44Å; M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.42Å; M338-I375 HydrophobicContact CE-CB 4.42Å; M338-I375 HydrophobicContact CE-CG2 4.25Å; M338-L457 HydrophobicContact CB-CB 4.02Å; M338-L457 HydrophobicContact CB-CD1 4.38Å; M338-L457 HydrophobicContact CG-CB 4.38Å; M338-A458 WeakPolarHBondContact SD-CA 3.3Å; M338-A458 HydrophobicContact SD-CB 3.84Å; M338-S461 WeakPolarHBondContact CE-OG 3.28Å
339L97.1Very high96.2Very high0 Ų04 Ų40%02%0.019CC..Hα-helixtrans-59.1-42.2178.2-74171.8000112.2V302 F335 K336 S343 L373 L380V302-L339 HydrophobicContact CG1-CB 4.19Å; V302-L339 HydrophobicContact CG2-CB 4.49Å; F335-L339 VanDerWaalsContact O-CG 3.29Å; F335-L339 WeakPolarHBondContact O-CG 3.42Å; F335-L339 PolarHBondContact O-N 3.34Å; K336-L339 HydrophobicContact CD-CD1 4.35Å; K336-L339 PolarHBondContact O-N 2.96Å; L339-S343 WeakPolarHBondContact O-CB 3.36Å; L339-S343 PolarHBondContact O-N 3.36Å; L339-L373 HydrophobicContact CD2-CD1 3.92Å; L339-L373 HydrophobicContact CD2-CG 4.39Å; L339-L380 HydrophobicContact CD1-CD1 3.68Å
340F97.3Very high96.1Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-66.7-41.7176.5-84-68.5000112.6M237 A245 H248 V302 T306 K336 A337 M338 S343 G344M237-F340 HydrophobicContact CE-CE1 4.45Å; M237-F340 HydrophobicContact CE-CZ 4.3Å; M237-F340 HydrophobicContact SD-CE1 3.81Å; M237-F340 HydrophobicContact SD-CZ 4.2Å; A245-F340 HydrophobicContact CB-CB 3.57Å; A245-F340 HydrophobicContact CB-CG 4.33Å; H248-F340 HydrophobicContact CB-CE2 3.65Å; H248-F340 HydrophobicContact CB-CZ 3.95Å; V302-F340 HydrophobicContact CB-CD1 4.45Å; V302-F340 HydrophobicContact CB-CE1 3.99Å; V302-F340 HydrophobicContact CB-CE2 4.42Å; V302-F340 HydrophobicContact CB-CZ 3.98Å; V302-F340 HydrophobicContact CG1-CD1 4.1Å; V302-F340 HydrophobicContact CG1-CD2 3.74Å; V302-F340 HydrophobicContact CG1-CE1 3.83Å; V302-F340 HydrophobicContact CG1-CE2 3.45Å; V302-F340 VanDerWaalsContact CG1-CE2 3.45Å; V302-F340 HydrophobicContact CG1-CG 4.06Å; V302-F340 HydrophobicContact CG1-CZ 3.5Å; V302-F340 VanDerWaalsContact CG1-CZ 3.5Å; T306-F340 HydrophobicContact CG2-CE2 4.25Å; K336-F340 WeakPolarHBondContact O-CD2 3.39Å; K336-F340 PolarHBondContact O-N 3.07Å; A337-F340 PolarHBondContact O-N 3.47Å; M338-F340 VanDerWaalsContact C-N 3.33Å; M338-F340 PolarHBondContact O-N 3.03Å; F340-S343 WeakPolarHBondContact CA-OG 3.28Å; F340-S343 PolarHBondContact O-N 3.2Å; F340-S343 PolarHBondContact O-OG 3.42Å; F340-G344 PolarHBondContact O-N 3.43Å
341M96Very high96Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-66.6-39.6176.9-68.3-171.6-35.300112.2F103 A337 M338 S343 G344 S345 P453 I454 L457F103-M341 HydrophobicContact CB-CG 4.46Å; F103-M341 HydrophobicContact CB-SD 3.89Å; F103-M341 HydrophobicContact CD1-CG 4.24Å; F103-M341 HydrophobicContact CD2-CB 4.29Å; F103-M341 HydrophobicContact CD2-CG 4.32Å; F103-M341 HydrophobicContact CD2-SD 4.5Å; F103-M341 HydrophobicContact CE2-CB 4.34Å; F103-M341 HydrophobicContact CG-CG 4.08Å; F103-M341 HydrophobicContact CG-SD 4.14Å; A337-M341 WeakPolarHBondContact O-CG 3.47Å; A337-M341 PolarHBondContact O-N 2.87Å; M338-M341 PolarHBondContact O-N 2.9Å; M341-S343 VanDerWaalsContact C-N 3.33Å; M341-G344 PolarHBondContact O-N 3.16Å; M341-S345 PolarHBondContact O-N 2.8Å; M341-S345 PolarHBondContact O-OG 2.87Å; M341-P453 HydrophobicContact CE-CB 4.1Å; M341-P453 HydrophobicContact SD-CB 4.16Å; M341-I454 HydrophobicContact CB-CG1 4.38Å; M341-I454 HydrophobicContact CE-CG1 3.94Å; M341-L457 HydrophobicContact CE-CB 4.32Å; M341-L457 HydrophobicContact CE-CD1 3.13Å; M341-L457 HydrophobicContact CE-CG 3.9Å; M341-L457 HydrophobicContact SD-CD1 3.92Å
342C97.1Very high95.9Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-64-39.3173.4-61.10000111.3M338 G344 S345 I346 S372 L373M338-C342 WeakPolarHBondContact O-CB 3.21Å; M338-C342 PolarHBondContact O-N 3.24Å; M338-C342 PolarHBondContact O-SG 3.44Å; C342-G344 VanDerWaalsContact C-N 3.33Å; C342-S345 WeakPolarHBondContact CA-OG 3.42Å; C342-S345 PolarHBondContact O-OG 2.95Å; C342-I346 WeakPolarHBondContact O-CD1 3.48Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.37Å; C342-I346 PolarHBondContact O-N 3.03Å; C342-I346 VanDerWaalsContact O-N 3.14Å; C342-S372 PolarHBondContact SG-OG 2.98Å; C342-L373 HydrophobicContact CB-CB 4.25Å; C342-L373 HydrophobicContact CB-CD1 3.71Å
343S96.6Very high95.8Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-64.3-40.8173.277.40000111.3L339 F340 M341 S345 I346 I347L339-S343 WeakPolarHBondContact O-CB 3.36Å; L339-S343 PolarHBondContact O-N 3.36Å; F340-S343 WeakPolarHBondContact CA-OG 3.28Å; F340-S343 PolarHBondContact O-N 3.2Å; F340-S343 PolarHBondContact O-OG 3.42Å; M341-S343 VanDerWaalsContact C-N 3.33Å; S343-S345 PolarHBondContact O-N 3.47Å; S343-I346 PolarHBondContact O-N 3.13Å; S343-I347 WeakPolarHBondContact O-CB 3.34Å; S343-I347 WeakPolarHBondContact O-CD1 3.41Å; S343-I347 WeakPolarHBondContact O-CG1 3.06Å; S343-I347 PolarHBondContact O-N 3.1Å
344G96.1Very high95.7Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-65.8-37.2178.600000113.3F340 M341 C342 I347 H348F340-G344 PolarHBondContact O-N 3.43Å; M341-G344 PolarHBondContact O-N 3.16Å; C342-G344 VanDerWaalsContact C-N 3.33Å; G344-I347 PolarHBondContact O-N 3.5Å; G344-H348 WeakPolarHBondContact O-CB 3.42Å; G344-H348 PolarHBondContact O-N 3.28Å
345S96.6Very high95.8Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-66.8-40.3174.163.90000112.4M341 C342 S343 N349 T369M341-S345 PolarHBondContact O-N 2.8Å; M341-S345 PolarHBondContact O-OG 2.87Å; C342-S345 WeakPolarHBondContact CA-OG 3.42Å; C342-S345 PolarHBondContact O-OG 2.95Å; S343-S345 PolarHBondContact O-N 3.47Å; S345-N349 VanDerWaalsContact O-CB 3.3Å; S345-N349 WeakPolarHBondContact O-CB 3.4Å; S345-N349 PolarHBondContact O-N 2.98Å; S345-T369 WeakPolarHBondContact OG-CG2 3.26Å
346I96.8Very high95.8Very high0 Ų020.1 Ų20.10%010%0.102CC..Hα-helixtrans-64-47.7175.3-66.7166.4000110C342 S343 H348 N349 L350 M359 L362C342-I346 WeakPolarHBondContact O-CD1 3.48Å; C342-I346 VanDerWaalsContact O-CG1 3.24Å; C342-I346 WeakPolarHBondContact O-CG1 3.37Å; C342-I346 PolarHBondContact O-N 3.03Å; C342-I346 VanDerWaalsContact O-N 3.14Å; S343-I346 PolarHBondContact O-N 3.13Å; I346-H348 PolarHBondContact O-N 3.07Å; I346-N349 PolarHBondContact O-N 2.8Å; I346-L350 HydrophobicContact CG2-CD1 3.76Å; I346-L350 HydrophobicContact CG2-CG 4.48Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.41Å; I346-M359 HydrophobicContact CG2-CE 3.87Å; I346-M359 HydrophobicContact CG2-SD 3.71Å; I346-L362 HydrophobicContact CD1-CD1 4.25Å; I346-L362 HydrophobicContact CG1-CD1 4.12Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å
347I96.1Very high95.8Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-59.8-48.8-179.7-68.8162.4000111T241 I298 K299 S343 G344 L350 N351 N352 Q354T241-I347 HydrophobicContact CG2-CD1 4.04Å; I298-I347 HydrophobicContact CG2-CD1 3.89Å; I298-I347 HydrophobicContact CG2-CG1 4.19Å; K299-I347 HydrophobicContact CD-CD1 3.96Å; K299-I347 HydrophobicContact CG-CD1 3.85Å; S343-I347 WeakPolarHBondContact O-CB 3.34Å; S343-I347 WeakPolarHBondContact O-CD1 3.41Å; S343-I347 WeakPolarHBondContact O-CG1 3.06Å; S343-I347 PolarHBondContact O-N 3.1Å; G344-I347 PolarHBondContact O-N 3.5Å; I347-L350 CarbonylContact O-C 3.45Å; I347-L350 PolarHBondContact O-N 2.62Å; I347-N351 PolarHBondContact O-N 3.03Å; I347-N352 WeakPolarHBondContact O-CA 3.48Å; 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 4.04Å
348H94.9Very high95.7Very high63 Ų6331.2 Ų31.229%0.29215%0.146SC..Hα-helixtrans-68.7-37.7-177-174.1-82000112.1W106 Y107 G344 I346 L350 N351W106-H348 HydrophobicContact CH2-CB 3.59Å; W106-H348 AromaticContact CH2-CG 3.67Å; W106-H348 AromaticContact CH2-ND1 3.47Å; W106-H348 WeakPolarHBondContact CH2-ND1 3.22Å; W106-H348 HydrophobicContact CZ2-CB 4.43Å; W106-H348 AromaticContact CZ2-ND1 3.41Å; W106-H348 WeakPolarHBondContact CZ2-ND1 3.31Å; W106-H348 HydrophobicContact CZ3-CB 3.92Å; Y107-H348 HydrophobicContact CD2-CB 4.15Å; Y107-H348 HydrophobicContact CE2-CB 4Å; G344-H348 WeakPolarHBondContact O-CB 3.42Å; G344-H348 PolarHBondContact O-N 3.28Å; I346-H348 PolarHBondContact O-N 3.07Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.2Å; H348-N351 PolarHBondContact O-N 3.33Å
349N94.5Very high95.6Very high8 Ų831.2 Ų31.24%0.04315%0.146CC..Hα-helixtrans-73.8-19.2176.5-75.1-9.8000113.9S345 I346 M366 I443 N444S345-N349 VanDerWaalsContact O-CB 3.3Å; S345-N349 WeakPolarHBondContact O-CB 3.4Å; S345-N349 PolarHBondContact O-N 2.98Å; I346-N349 PolarHBondContact O-N 2.8Å; N349-M366 HydrophobicContact CB-CE 4.36Å; N349-M366 HydrophobicContact CB-SD 3.99Å; N349-M366 WeakPolarHBondContact ND2-CE 3.2Å; N349-I443 HydrophobicContact CB-CG2 4.46Å; N349-N444 PolarHBondContact ND2-O 3.13Å; N349-N444 PolarHBondContact OD1-O 3.23Å
350L94.8Very high95.5Very high2 Ų231.2 Ų31.21%0.0115%0.146CC..THydrogen-bonded Turntrans-101.329.7173.8-63.3178.4000112.4I346 I347 H348 N352 E353 M359 L362 F437 T441 I443I346-L350 HydrophobicContact CG2-CD1 3.76Å; I346-L350 HydrophobicContact CG2-CG 4.48Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 WeakPolarHBondContact O-CG 3.32Å; I346-L350 PolarHBondContact O-N 3.41Å; I347-L350 CarbonylContact O-C 3.45Å; I347-L350 PolarHBondContact O-N 2.62Å; H348-L350 VanDerWaalsContact C-N 3.3Å; H348-L350 PolarHBondContact O-N 3.2Å; L350-N352 PolarHBondContact O-N 3.15Å; L350-E353 HydrophobicContact CB-CB 4.27Å; L350-E353 WeakPolarHBondContact O-CB 3.38Å; L350-E353 WeakPolarHBondContact O-CG 3.5Å; L350-E353 PolarHBondContact O-N 3.11Å; L350-M359 HydrophobicContact CD1-CG 3.85Å; L350-L362 HydrophobicContact CD1-CD1 4.43Å; L350-F437 HydrophobicContact CD2-CB 3.8Å; L350-F437 HydrophobicContact CD2-CD1 4.05Å; L350-F437 HydrophobicContact CD2-CD2 4.24Å; L350-F437 HydrophobicContact CD2-CG 3.79Å; L350-T441 HydrophobicContact CD2-CG2 4.16Å; L350-I443 HydrophobicContact CD2-CD1 4.44Å
351N93Very high95.3Very high108 Ų10832.1 Ų32.158%0.57816%0.155SC*.THydrogen-bonded Turntrans54.546.9176.1-61.6-25.3000114.1I347 H348 E353I347-N351 PolarHBondContact O-N 3.03Å; H348-N351 PolarHBondContact O-N 3.33Å; N351-E353 VanDerWaalsContact C-N 3.32Å; N351-E353 PolarHBondContact O-N 3.31Å
352N93Very high95.3Very high108 Ų10832.1 Ų32.158%0.57816%0.155SC*.THydrogen-bonded Turntrans69.615.2-179.6-58.6-48.2000116.1I347 L350 Q354I347-N352 WeakPolarHBondContact O-CA 3.48Å; I347-N352 PolarHBondContact O-N 3.38Å; L350-N352 PolarHBondContact O-N 3.15Å; N352-Q354 PolarHBondContact O-N 3.46Å
353E94.4Very high95.2Very high55 Ų5536.8 Ų36.826%0.25718%0.179SC..  trans-73.4120.8171.5-71.7-76.4-167.500111.2L350 N351 K358L350-E353 HydrophobicContact CB-CB 4.27Å; L350-E353 WeakPolarHBondContact O-CB 3.38Å; L350-E353 WeakPolarHBondContact O-CG 3.5Å; L350-E353 PolarHBondContact O-N 3.11Å; N351-E353 VanDerWaalsContact C-N 3.32Å; N351-E353 PolarHBondContact O-N 3.31Å; E353-K358 IonicContact OE1-NZ 2.84Å; E353-K358 PolarHBondContact OE1-NZ 3.46Å; E353-K358 WeakPolarHBondContact OE2-CD 3.41Å; E353-K358 IonicContact OE2-NZ 3.27Å; E353-K358 PolarHBondContact OE2-NZ 3.24Å
354Q95.7Very high95Very high59 Ų5945.9 Ų45.928%0.27622%0.219SC..  trans-104.4-13.3-177.2-56.7-172.3900114I298 I347 N352I298-Q354 PolarHBondContact N-O 3.25Å; I347-Q354 HydrophobicContact CD1-CG 4.02Å; I347-Q354 HydrophobicContact CG1-CG 4.07Å; I347-Q354 HydrophobicContact CG2-CG 4.04Å; N352-Q354 PolarHBondContact O-N 3.46Å
355D96.9Very high94.8Very high19 Ų1948.9 Ų48.910%0.10224%0.238CC..BIsolated β-bridgetrans-81.7120.3-174.4-173-16.5000111.3N296 R357 K358N296-D355 WeakPolarHBondContact CB-OD1 3.42Å; D355-R357 PolarHBondContact O-N 2.88Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.29Å; D355-R357 WeakPolarHBondContact OD1-CB 3.19Å; D355-R357 VanDerWaalsContact OD1-CG 3.31Å; D355-R357 WeakPolarHBondContact OD1-CG 3.18Å; D355-R357 PolarHBondContact OD1-N 3.21Å; D355-R357 IonicContact OD1-NE 3.49Å; D355-R357 PolarHBondContact OD1-NE 3.27Å; D355-R357 VanDerWaalsContact OD1-NE 3.09Å; D355-R357 IonicContact OD2-CZ 2.91Å; D355-R357 IonicContact OD2-NE 3.9Å; D355-R357 PolarHBondContact OD2-NE 2.81Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.33Å; D355-K358 PolarHBondContact O-N 2.82Å; D355-K358 VanDerWaalsContact O-N 3.12Å
356I96.5Very high94.7Very high0 Ų048.9 Ų48.90%024%0.238CC..G310 helixtrans-60-22.1179.367.1-175.9000113.5N296 I298 I301 K358 M359 L429 T430N296-I356 HydrophobicContact CB-CG1 4.44Å; N296-I356 WeakPolarHBondContact O-CG1 3.27Å; N296-I356 WeakPolarHBondContact O-CG2 3.48Å; N296-I356 PolarHBondContact O-N 3.29Å; I298-I356 HydrophobicContact CB-CG2 3.96Å; I298-I356 HydrophobicContact CG1-CG2 4.32Å; I301-I356 HydrophobicContact CD1-CD1 3.82Å; I301-I356 HydrophobicContact CD1-CG2 4.26Å; I356-K358 VanDerWaalsContact C-N 3.27Å; I356-K358 PolarHBondContact O-N 3.48Å; I356-M359 HydrophobicContact CG2-SD 4.41Å; I356-M359 PolarHBondContact O-N 3.11Å; I356-L429 HydrophobicContact CB-CB 4.4Å; I356-L429 HydrophobicContact CD1-CB 4.43Å; I356-L429 HydrophobicContact CD1-CD1 3.55Å; I356-L429 HydrophobicContact CG1-CB 4.49Å; I356-L429 HydrophobicContact CG1-CD1 4.1Å; I356-T430 HydrophobicContact CB-CG2 4.07Å; I356-T430 HydrophobicContact CG2-CG2 3.67Å
357R95.1Very high94.6Very high146 Ų14652.5 Ų52.555%0.55126%0.261SS*.G310 helixtrans-67.7-30179.3-63.2177.1-66.7-179.30.2111.9D355 R436D355-R357 PolarHBondContact O-N 2.88Å; D355-R357 VanDerWaalsContact O-N 3.1Å; D355-R357 VanDerWaalsContact OD1-CB 3.29Å; D355-R357 WeakPolarHBondContact OD1-CB 3.19Å; D355-R357 VanDerWaalsContact OD1-CG 3.31Å; D355-R357 WeakPolarHBondContact OD1-CG 3.18Å; D355-R357 PolarHBondContact OD1-N 3.21Å; D355-R357 IonicContact OD1-NE 3.49Å; D355-R357 PolarHBondContact OD1-NE 3.27Å; D355-R357 VanDerWaalsContact OD1-NE 3.09Å; D355-R357 IonicContact OD2-CZ 2.91Å; D355-R357 IonicContact OD2-NE 3.9Å; D355-R357 PolarHBondContact OD2-NE 2.81Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.33Å; R357-R436 WeakPolarHBondContact O-CD 3.28Å; R357-R436 PolarHBondContact O-NE 3.23Å
358K94.8Very high94.6Very high88 Ų8854.5 Ų54.538%0.38327%0.271SS..G310 helixtrans-93.79.2176.9-61.5179.4-177.9173.80113.3E353 D355 I356 R436 F437E353-K358 IonicContact OE1-NZ 2.84Å; E353-K358 PolarHBondContact OE1-NZ 3.46Å; E353-K358 WeakPolarHBondContact OE2-CD 3.41Å; E353-K358 IonicContact OE2-NZ 3.27Å; E353-K358 PolarHBondContact OE2-NZ 3.24Å; D355-K358 PolarHBondContact O-N 2.82Å; D355-K358 VanDerWaalsContact O-N 3.12Å; I356-K358 VanDerWaalsContact C-N 3.27Å; I356-K358 PolarHBondContact O-N 3.48Å; K358-R436 CarbonylContact O-C 3.51Å; K358-F437 WeakPolarHBondContact O-CA 3.44Å; K358-F437 VanDerWaalsContact O-CB 3.26Å; K358-F437 WeakPolarHBondContact O-CB 3.39Å; K358-F437 PolarHBondContact O-N 3.43Å; K358-F437 VanDerWaalsContact O-N 3.09Å
359M95.3Very high94.7Very high0 Ų051.6 Ų51.60%026%0.258CS..  trans-97.5-165.2174.4-60-178.3-176.100110.5I298 I346 L350 I356 L362 T430 R436I298-M359 HydrophobicContact CD1-SD 4.42Å; I298-M359 HydrophobicContact CG2-CE 4.28Å; I346-M359 HydrophobicContact CG2-CE 3.87Å; I346-M359 HydrophobicContact CG2-SD 3.71Å; L350-M359 HydrophobicContact CD1-CG 3.85Å; I356-M359 HydrophobicContact CG2-SD 4.41Å; I356-M359 PolarHBondContact O-N 3.11Å; M359-L362 HydrophobicContact CB-CD1 4.47Å; M359-T430 HydrophobicContact SD-CG2 3.68Å; M359-R436 WeakPolarHBondContact O-CB 3.48Å; M359-R436 PolarHBondContact O-N 2.91Å; M359-R436 PolarHBondContact O-NE 3.02Å; M359-R436 PolarHBondContact O-NH2 2.93Å; M359-R436 VanDerWaalsContact O-NH2 3.1Å
360G94.6Very high94.8Very high0 Ų051.3 Ų51.30%026%0.257CS..  trans125151.3175.200000112.8L362 T430 P435 F437G360-L362 PolarHBondContact O-N 3.33Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.36Å; G360-T430 PolarHBondContact N-O 3.08Å; G360-T430 VanDerWaalsContact N-O 3.16Å; G360-P435 WeakPolarHBondContact O-CA 3.38Å; G360-F437 WeakPolarHBondContact O-CE1 3.32Å
361G93.7Very high94.9Very high18 Ų1854.5 Ų54.519%0.18628%0.277CS..  trans66.312.817800000115.6L363 L431 T432 G433G361-L363 PolarHBondContact O-N 3.46Å; G361-L431 CarbonylContact C-O 3.45Å; G361-L431 WeakPolarHBondContact CA-O 3.46Å; G361-L431 PolarHBondContact N-O 3.17Å; G361-T432 PolarHBondContact N-O 2.87Å; G361-G433 WeakPolarHBondContact CA-O 3.42Å; G361-G433 PolarHBondContact N-O 3.44Å
362L95.1Very high95.1Very high1 Ų149.5 Ų49.51%0.00525%0.25CC..Hα-helixtrans-71.4-14.7-174.9-65175000114.1I346 L350 M359 G360 K364 T365 M366 T430 L431 F437 I443I346-L362 HydrophobicContact CD1-CD1 4.25Å; I346-L362 HydrophobicContact CG1-CD1 4.12Å; I346-L362 HydrophobicContact CG2-CD1 3.65Å; L350-L362 HydrophobicContact CD1-CD1 4.43Å; M359-L362 HydrophobicContact CB-CD1 4.47Å; G360-L362 PolarHBondContact O-N 3.33Å; L362-K364 PolarHBondContact O-N 3.2Å; L362-T365 WeakPolarHBondContact CA-OG1 3.47Å; L362-T365 PolarHBondContact O-N 2.94Å; L362-T365 PolarHBondContact O-OG1 3.11Å; L362-M366 PolarHBondContact O-N 3.31Å; L362-T430 WeakPolarHBondContact CD1-O 3.48Å; L362-T430 WeakPolarHBondContact CG-O 3.44Å; L362-L431 HydrophobicContact CB-CD2 4.04Å; L362-L431 PolarHBondContact N-O 3.11Å; L362-L431 VanDerWaalsContact N-O 3.16Å; L362-F437 HydrophobicContact CD2-CE1 4.25Å; L362-I443 HydrophobicContact CD2-CD1 4.38Å
363L95.3Very high95.3Very high97 Ų9744.4 Ų44.451%0.50822%0.222SC..Hα-helixtrans-54.1-39.4178.7-168.695.6000112.6G361 L431G361-L363 PolarHBondContact O-N 3.46Å; L363-L431 PolarHBondContact N-O 2.79Å
364K91.1Very high95.4Very high192 Ų19243.6 Ų43.684%0.83522%0.222SC*.Hα-helixtrans-88.2-31.7-178.6-66.8-175.8-179.7-179.10112.9L362L362-K364 PolarHBondContact O-N 3.2Å
365T92.3Very high95.5Very high63 Ų6342.9 Ų42.939%0.38722%0.219SC..Hα-helixtrans-84-32.6-174.859.70000112.6L362 I443L362-T365 WeakPolarHBondContact CA-OG1 3.47Å; L362-T365 PolarHBondContact O-N 2.94Å; L362-T365 PolarHBondContact O-OG1 3.11Å; T365-I443 HydrophobicContact CG2-CD1 4.32Å
366M94.9Very high95.4Very high0 Ų042 Ų420%021%0.214CC..SBendtrans-130.775.5178.7-57.1-177.85600110.9N349 L362 L368 T369 S370 I443 E445N349-M366 HydrophobicContact CB-CE 4.36Å; N349-M366 HydrophobicContact CB-SD 3.99Å; N349-M366 WeakPolarHBondContact ND2-CE 3.2Å; L362-M366 PolarHBondContact O-N 3.31Å; M366-L368 PolarHBondContact O-N 3.33Å; M366-T369 WeakPolarHBondContact CB-OG1 3.41Å; M366-T369 HydrophobicContact CE-CG2 3.93Å; M366-T369 WeakPolarHBondContact CE-OG1 3.34Å; M366-T369 PolarHBondContact O-OG1 2.79Å; M366-S370 VanDerWaalsContact O-CB 3.28Å; M366-S370 WeakPolarHBondContact O-CB 3.3Å; M366-S370 PolarHBondContact O-N 3.46Å; M366-S370 PolarHBondContact O-OG 3.5Å; M366-I443 HydrophobicContact CG-CG2 3.34Å; M366-I443 HydrophobicContact SD-CG2 3.73Å; M366-E445 WeakPolarHBondContact CA-OE2 3.42Å; M366-E445 WeakPolarHBondContact CB-OE2 3.49Å; M366-E445 HydrophobicContact CE-CG 4.17Å
367P95.3Very high95.4Very high76 Ų7642 Ų4249%0.49422%0.215SC..Hα-helixtrans-67.8-34.9-170.526.3-34.5000113.6S370 T371P367-S370 VanDerWaalsContact CA-OG 3.31Å; P367-S370 WeakPolarHBondContact CA-OG 3.19Å; P367-S370 PolarHBondContact O-OG 2.96Å; P367-T371 WeakPolarHBondContact O-CB 3.49Å; P367-T371 VanDerWaalsContact O-CG2 3.27Å; P367-T371 WeakPolarHBondContact O-CG2 3.36Å; P367-T371 PolarHBondContact O-N 3.44Å; P367-T371 PolarHBondContact O-OG1 3.12Å
368L96.4Very high95.5Very high41 Ų4138.5 Ų38.522%0.21521%0.206CC..Hα-helixtrans-73-48.1-179.4179.578.7000110.3M366 S370 T371 S372 E445 L451 I454 K455M366-L368 PolarHBondContact O-N 3.33Å; L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.06Å; L368-T371 WeakPolarHBondContact CA-OG1 3.25Å; L368-T371 PolarHBondContact O-N 3.37Å; L368-T371 PolarHBondContact O-OG1 3.2Å; L368-S372 PolarHBondContact O-N 2.63Å; L368-S372 PolarHBondContact O-OG 2.84Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; L368-E445 VanDerWaalsContact CB-OE1 3.29Å; L368-E445 WeakPolarHBondContact CB-OE1 3.4Å; L368-E445 PolarHBondContact N-OE2 2.92Å; L368-L451 HydrophobicContact CB-CD2 4.21Å; L368-L451 HydrophobicContact CD2-CB 3.98Å; L368-L451 HydrophobicContact CD2-CD2 3.29Å; L368-L451 HydrophobicContact CD2-CG 4.21Å; L368-L451 HydrophobicContact CG-CD2 4.34Å; L368-I454 HydrophobicContact CD2-CG2 4.36Å; L368-I454 HydrophobicContact CG-CG2 4.48Å; L368-K455 HydrophobicContact CD1-CG 4.17Å; L368-K455 HydrophobicContact CD2-CG 4.03Å
369T96.8Very high95.5Very high2 Ų234.3 Ų34.31%0.01219%0.188CC..Hα-helixtrans-63.7-34.6178.250.50000112.7S345 M366 S372 L373 E445 I454S345-T369 WeakPolarHBondContact OG-CG2 3.26Å; M366-T369 WeakPolarHBondContact CB-OG1 3.41Å; M366-T369 HydrophobicContact CE-CG2 3.93Å; M366-T369 WeakPolarHBondContact CE-OG1 3.34Å; M366-T369 PolarHBondContact O-OG1 2.79Å; T369-S372 VanDerWaalsContact CA-OG 3.31Å; T369-S372 WeakPolarHBondContact CA-OG 3.5Å; T369-S372 PolarHBondContact O-OG 3.42Å; T369-S372 VanDerWaalsContact O-OG 3.09Å; T369-L373 WeakPolarHBondContact O-CB 3.36Å; T369-L373 PolarHBondContact O-N 3.49Å; T369-E445 WeakPolarHBondContact CB-OE1 3.36Å; T369-E445 HydrophobicContact CG2-CG 4.28Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.09Å; T369-E445 PolarHBondContact N-OE1 3.31Å; T369-E445 PolarHBondContact OG1-OE1 2.86Å; T369-I454 HydrophobicContact CG2-CD1 3.75Å
370S96.4Very high95.5Very high3 Ų334.4 Ų34.42%0.02119%0.189CC..Hα-helixtrans-68.6-41.2174.960.60000112.2M366 P367 L368 T374M366-S370 VanDerWaalsContact O-CB 3.28Å; M366-S370 WeakPolarHBondContact O-CB 3.3Å; M366-S370 PolarHBondContact O-N 3.46Å; M366-S370 PolarHBondContact O-OG 3.5Å; P367-S370 VanDerWaalsContact CA-OG 3.31Å; P367-S370 WeakPolarHBondContact CA-OG 3.19Å; P367-S370 PolarHBondContact O-OG 2.96Å; L368-S370 VanDerWaalsContact C-N 3.29Å; L368-S370 PolarHBondContact O-N 3.06Å; S370-T374 WeakPolarHBondContact O-CG2 3.4Å; S370-T374 PolarHBondContact O-N 3.48Å; S370-T374 PolarHBondContact O-OG1 2.97Å
371T96.4Very high95.5Very high69 Ų6935 Ų3542%0.42319%0.194SC..Hα-helixtrans-65.8-41.6173.751.80000112.1P367 L368 T374 I375P367-T371 WeakPolarHBondContact O-CB 3.49Å; P367-T371 VanDerWaalsContact O-CG2 3.27Å; P367-T371 WeakPolarHBondContact O-CG2 3.36Å; P367-T371 PolarHBondContact O-N 3.44Å; P367-T371 PolarHBondContact O-OG1 3.12Å; L368-T371 WeakPolarHBondContact CA-OG1 3.25Å; L368-T371 PolarHBondContact O-N 3.37Å; L368-T371 PolarHBondContact O-OG1 3.2Å; T371-T374 WeakPolarHBondContact CA-OG1 3.34Å; T371-T374 PolarHBondContact O-N 3.34Å; T371-T374 PolarHBondContact O-OG1 2.96Å; T371-I375 WeakPolarHBondContact O-CD1 3.44Å; T371-I375 VanDerWaalsContact O-CG1 3.23Å; T371-I375 WeakPolarHBondContact O-CG1 3.28Å; T371-I375 PolarHBondContact O-N 3.15Å
372S96.8Very high95.5Very high2 Ų234.9 Ų34.91%0.01419%0.192CC..Hα-helixtrans-71-36.1176.557.40000113.2M338 C342 L368 T369 T374 I375 G376 I454M338-S372 VanDerWaalsContact CE-O 3.23Å; M338-S372 WeakPolarHBondContact CE-O 3.42Å; C342-S372 PolarHBondContact SG-OG 2.98Å; L368-S372 PolarHBondContact O-N 2.63Å; L368-S372 PolarHBondContact O-OG 2.84Å; L368-S372 VanDerWaalsContact O-OG 3.05Å; T369-S372 VanDerWaalsContact CA-OG 3.31Å; T369-S372 WeakPolarHBondContact CA-OG 3.5Å; T369-S372 PolarHBondContact O-OG 3.42Å; T369-S372 VanDerWaalsContact O-OG 3.09Å; S372-T374 VanDerWaalsContact C-N 3.34Å; S372-I375 PolarHBondContact O-N 2.73Å; S372-G376 PolarHBondContact O-N 3.31Å; S372-I454 VanDerWaalsContact CB-CG2 3.45Å; S372-I454 WeakPolarHBondContact OG-CG2 3.4Å
373L97.1Very high95.4Very high1 Ų139.4 Ų39.41%0.00521%0.214CC..Hα-helixtrans-63.2-41.2174.2-169.287.4000111L339 C342 T369 G376 S377 M426 L431L339-L373 HydrophobicContact CD2-CD1 3.92Å; L339-L373 HydrophobicContact CD2-CG 4.39Å; C342-L373 HydrophobicContact CB-CB 4.25Å; C342-L373 HydrophobicContact CB-CD1 3.71Å; T369-L373 WeakPolarHBondContact O-CB 3.36Å; T369-L373 PolarHBondContact O-N 3.49Å; L373-G376 PolarHBondContact O-N 3.16Å; L373-S377 WeakPolarHBondContact O-CB 3.45Å; L373-S377 PolarHBondContact O-N 3.27Å; L373-S377 PolarHBondContact O-OG 3.38Å; L373-M426 HydrophobicContact CD1-SD 4.09Å; L373-M426 HydrophobicContact CD2-SD 4.32Å; L373-M426 HydrophobicContact CG-SD 4.39Å; L373-L431 HydrophobicContact CB-CD1 4.44Å; L373-L431 HydrophobicContact CD2-CD1 3.79Å; L373-L431 HydrophobicContact CD2-CD2 3.98Å; L373-L431 HydrophobicContact CD2-CG 3.84Å
374T97Very high95.4Very high39 Ų3936.6 Ų36.624%0.23920%0.202CC..Hα-helixtrans-68-43.3176.448.90000112.1S370 T371 S372 G376 S377 L378 I427 L431S370-T374 WeakPolarHBondContact O-CG2 3.4Å; S370-T374 PolarHBondContact O-N 3.48Å; S370-T374 PolarHBondContact O-OG1 2.97Å; T371-T374 WeakPolarHBondContact CA-OG1 3.34Å; T371-T374 PolarHBondContact O-N 3.34Å; T371-T374 PolarHBondContact O-OG1 2.96Å; S372-T374 VanDerWaalsContact C-N 3.34Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 2.94Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.37Å; T374-S377 PolarHBondContact O-N 3.39Å; T374-S377 PolarHBondContact O-OG 2.98Å; T374-L378 WeakPolarHBondContact O-CB 3.08Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.27Å; T374-L378 PolarHBondContact O-N 3.19Å; T374-I427 HydrophobicContact CG2-CG2 4.17Å; T374-L431 HydrophobicContact CG2-CD1 3.66Å
375I97.3Very high95.5Very high43 Ų4334.9 Ų34.922%0.22120%0.195CC..Hα-helixtrans-59.3-45.2173.3-66.8163.6000110.8M338 T371 S372 S377 L378 A379 L462M338-I375 HydrophobicContact CE-CB 4.42Å; M338-I375 HydrophobicContact CE-CG2 4.25Å; T371-I375 WeakPolarHBondContact O-CD1 3.44Å; T371-I375 VanDerWaalsContact O-CG1 3.23Å; T371-I375 WeakPolarHBondContact O-CG1 3.28Å; T371-I375 PolarHBondContact O-N 3.15Å; S372-I375 PolarHBondContact O-N 2.73Å; I375-S377 PolarHBondContact O-N 2.91Å; I375-L378 PolarHBondContact O-N 3.46Å; I375-A379 WeakPolarHBondContact O-CB 3.39Å; I375-A379 PolarHBondContact O-N 3.33Å; I375-L462 HydrophobicContact CG2-CD2 4.07Å; I375-L462 HydrophobicContact CG2-CG 4.35Å
376G96.3Very high95.6Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-66.7-38-178.700000114S372 L373 T374 L380S372-G376 PolarHBondContact O-N 3.31Å; L373-G376 PolarHBondContact O-N 3.16Å; T374-G376 VanDerWaalsContact C-N 3.33Å; T374-G376 PolarHBondContact O-N 2.94Å; G376-L380 WeakPolarHBondContact O-CB 3.28Å; G376-L380 PolarHBondContact O-N 3.49Å
377S96.3Very high95.5Very high2 Ų233 Ų331%0.01418%0.182CC..Hα-helixtrans-72-38.1176.947.30000112.1L373 T374 I375 L380 A381 I427L373-S377 WeakPolarHBondContact O-CB 3.45Å; L373-S377 PolarHBondContact O-N 3.27Å; L373-S377 PolarHBondContact O-OG 3.38Å; T374-S377 VanDerWaalsContact CA-OG 3.31Å; T374-S377 WeakPolarHBondContact CA-OG 3.37Å; T374-S377 PolarHBondContact O-N 3.39Å; T374-S377 PolarHBondContact O-OG 2.98Å; I375-S377 PolarHBondContact O-N 2.91Å; S377-L380 PolarHBondContact O-N 3.42Å; S377-A381 WeakPolarHBondContact O-CB 3.38Å; S377-A381 PolarHBondContact O-N 3.39Å; S377-I427 WeakPolarHBondContact OG-CD1 3.45Å
378L96Very high95.4Very high71 Ų7129.4 Ų29.437%0.37216%0.159SC..Hα-helixtrans-65.4-40.3171.5-71.8171.3000112.1T374 I375 L380 A381 G382 M383 L386T374-L378 WeakPolarHBondContact O-CB 3.08Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.27Å; T374-L378 PolarHBondContact O-N 3.19Å; I375-L378 PolarHBondContact O-N 3.46Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L378-A381 PolarHBondContact O-N 2.64Å; L378-G382 PolarHBondContact O-N 3.13Å; L378-M383 HydrophobicContact CB-CB 4.14Å; L378-M383 PolarHBondContact O-N 3.39Å; L378-L386 HydrophobicContact CB-CD1 3.63Å
379A96.1Very high95.3Very high0 Ų029.9 Ų29.90%016%0.16CC..Hα-helixtrans-62.3-42.5174.400000111.2F335 I375 G382 L386 G388F335-A379 HydrophobicContact CB-CB 4.01Å; F335-A379 HydrophobicContact CD1-CB 4.27Å; F335-A379 HydrophobicContact CG-CB 4.29Å; I375-A379 WeakPolarHBondContact O-CB 3.39Å; I375-A379 PolarHBondContact O-N 3.33Å; A379-G382 PolarHBondContact O-N 2.99Å; A379-L386 HydrophobicContact CB-CB 4.2Å; A379-L386 HydrophobicContact CB-CD1 4.14Å; A379-G388 WeakPolarHBondContact O-CA 3.39Å
380L95.4Very high95.1Very high3 Ų331.4 Ų31.42%0.01617%0.165CC..Hα-helixtrans-63.5-40.7174.7-176.6162.3000112.4F335 K336 L339 G376 S377 L378 G382 K392 Y422F335-L380 HydrophobicContact CD2-CB 4.15Å; F335-L380 HydrophobicContact CE2-CB 4.14Å; F335-L380 HydrophobicContact CE2-CG 4.34Å; K336-L380 HydrophobicContact CD-CD1 4.38Å; L339-L380 HydrophobicContact CD1-CD1 3.68Å; G376-L380 WeakPolarHBondContact O-CB 3.28Å; G376-L380 PolarHBondContact O-N 3.49Å; S377-L380 PolarHBondContact O-N 3.42Å; L378-L380 VanDerWaalsContact C-N 3.35Å; L380-G382 PolarHBondContact O-N 2.92Å; L380-K392 PolarHBondContact O-NZ 3.17Å; L380-Y422 HydrophobicContact CD2-CE2 4.05Å
381A94.1Very high95Very high13 Ų1331.3 Ų31.311%0.10716%0.164CC..Hα-helixtrans-62.9-34.5176.500000111.4S377 L378 K392 T494S377-A381 WeakPolarHBondContact O-CB 3.38Å; S377-A381 PolarHBondContact O-N 3.39Å; L378-A381 PolarHBondContact O-N 2.64Å; A381-K392 PolarHBondContact O-NZ 3.05Å; A381-T494 WeakPolarHBondContact O-CG2 3.44Å
382G92.8Very high94.9Very high14 Ų1428.2 Ų28.214%0.14415%0.145CC..THydrogen-bonded Turntrans102.632.2-179.400000113.1L378 A379 L380L378-G382 PolarHBondContact O-N 3.13Å; A379-G382 PolarHBondContact O-N 2.99Å; L380-G382 PolarHBondContact O-N 2.92Å
383M93.9Very high94.8Very high96 Ų9628.9 Ų28.947%0.47315%0.148SC..  trans-56.1135.7176-175.372.8-167.600110.6L378 L386 F389L378-M383 HydrophobicContact CB-CB 4.14Å; L378-M383 PolarHBondContact O-N 3.39Å; M383-L386 HydrophobicContact CB-CD1 3.9Å; M383-L386 HydrophobicContact CB-CG 4.32Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 PolarHBondContact O-N 3.49Å; M383-F389 WeakPolarHBondContact O-CB 3.33Å
384P94Very high94.6Very high38 Ų3831.5 Ų31.525%0.24716%0.16CC..THydrogen-bonded Turntrans-52.8144.2-179.420.8-34.9000112.4L386 F389 L491P384-L386 PolarHBondContact O-N 3Å; P384-L386 VanDerWaalsContact O-N 3.12Å; P384-F389 HydrophobicContact CB-CD2 4.33Å; P384-F389 HydrophobicContact CB-CE2 4.44Å; P384-L491 HydrophobicContact CG-CD1 4.26Å
385F93.1Very high94.5Very high157 Ų15729.9 Ų29.969%0.68915%0.15SC*.THydrogen-bonded Turntrans67.9-11.7-177.7-50-71.5000117.1
386L95.4Very high94.4Very high23 Ų2328.2 Ų28.212%0.1214%0.142CC..SBendtrans-76.8162.8167.8-63.5-174.3000111.1L378 A379 M383 P384 G388 F389 Y390 L462L378-L386 HydrophobicContact CB-CD1 3.63Å; A379-L386 HydrophobicContact CB-CB 4.2Å; A379-L386 HydrophobicContact CB-CD1 4.14Å; M383-L386 HydrophobicContact CB-CD1 3.9Å; M383-L386 HydrophobicContact CB-CG 4.32Å; M383-L386 HydrophobicContact CG-CD1 4.37Å; M383-L386 PolarHBondContact O-N 3.49Å; P384-L386 PolarHBondContact O-N 3Å; P384-L386 VanDerWaalsContact O-N 3.12Å; L386-G388 PolarHBondContact O-N 3.02Å; L386-G388 VanDerWaalsContact O-N 3.12Å; L386-F389 WeakPolarHBondContact O-CB 3.46Å; L386-F389 PolarHBondContact O-N 3.36Å; L386-Y390 WeakPolarHBondContact O-CD2 3.44Å; L386-L462 HydrophobicContact CD2-CD2 3.46Å; L386-L462 VanDerWaalsContact CD2-CD2 3.46Å
387T93.1Very high94.3Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-58.1-32.2-17554.30000114.9T331 F389 G460 S461 A464T331-T387 WeakPolarHBondContact CG2-O 3.25Å; T387-F389 VanDerWaalsContact C-N 3.32Å; T387-F389 PolarHBondContact O-N 2.71Å; T387-G460 VanDerWaalsContact CG2-O 3.23Å; T387-G460 WeakPolarHBondContact CG2-O 3.36Å; T387-S461 VanDerWaalsContact CG2-O 3.31Å; T387-S461 WeakPolarHBondContact CG2-O 3.32Å; T387-S461 PolarHBondContact N-O 3.06Å; T387-S461 PolarHBondContact OG1-O 3.12Å; T387-A464 HydrophobicContact CG2-CB 4.42Å
388G91.9Very high94.1Very high1 Ų129.7 Ų29.71%0.0115%0.15CC..Hα-helixtrans-63.7-35.7177.900000113.3A379 L386 Y390 S391 K392A379-G388 WeakPolarHBondContact O-CA 3.39Å; L386-G388 PolarHBondContact O-N 3.02Å; L386-G388 VanDerWaalsContact O-N 3.12Å; G388-Y390 PolarHBondContact O-N 3.26Å; G388-S391 PolarHBondContact O-N 3.04Å; G388-S391 PolarHBondContact O-OG 3.06Å; G388-K392 VanDerWaalsContact O-CB 3.24Å; G388-K392 WeakPolarHBondContact O-CB 3.35Å; G388-K392 PolarHBondContact O-N 3.46Å
389F94.9Very high93.9Very high51 Ų5126.6 Ų26.622%0.22413%0.134CC..Hα-helixtrans-58.5-49.1-178.4173.9-101.6000112M383 P384 L386 T387 S391 K392 D393M383-F389 WeakPolarHBondContact O-CB 3.33Å; P384-F389 HydrophobicContact CB-CD2 4.33Å; P384-F389 HydrophobicContact CB-CE2 4.44Å; L386-F389 WeakPolarHBondContact O-CB 3.46Å; L386-F389 PolarHBondContact O-N 3.36Å; T387-F389 VanDerWaalsContact C-N 3.32Å; T387-F389 PolarHBondContact O-N 2.71Å; F389-S391 PolarHBondContact O-N 3.44Å; F389-K392 PolarHBondContact O-N 2.94Å; F389-D393 HydrophobicContact CD2-CB 3.78Å; F389-D393 HydrophobicContact CE2-CB 3.71Å; F389-D393 HydrophobicContact CG-CB 4.43Å; F389-D393 HydrophobicContact CZ-CB 4.33Å; F389-D393 VanDerWaalsContact O-CB 3.23Å; F389-D393 WeakPolarHBondContact O-CB 3.42Å; F389-D393 PolarHBondContact O-N 3.33Å; F389-D393 VanDerWaalsContact O-N 3.08Å
390Y93.8Very high93.8Very high34 Ų3428 Ų2813%0.13314%0.142CC..Hα-helixtrans-56-23.5180-70.2-71.8000114.9L386 G388 H394 F466 T469L386-Y390 WeakPolarHBondContact O-CD2 3.44Å; G388-Y390 PolarHBondContact O-N 3.26Å; Y390-H394 PolarHBondContact O-CD2 3.31Å; Y390-H394 VanDerWaalsContact O-CD2 3.3Å; Y390-F466 HydrophobicContact CE1-CB 4.38Å; Y390-F466 HydrophobicContact CE1-CD2 4.07Å; Y390-F466 HydrophobicContact CE2-CB 3.75Å; Y390-F466 AromaticContact CZ-CD2 3.75Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.3Å; Y390-T469 HydrophobicContact CD1-CG2 3.91Å; Y390-T469 HydrophobicContact CG-CG2 4.07Å
391S93.8Very high93.6Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-100.4-58.8172.343.70000112.3H328 T331 G388 F389 D393 H394 I395H328-S391 WeakPolarHBondContact ND1-CB 3.45Å; H328-S391 PolarHBondContact ND1-OG 3.39Å; T331-S391 PolarHBondContact OG1-OG 2.88Å; T331-S391 VanDerWaalsContact OG1-OG 3.06Å; G388-S391 PolarHBondContact O-N 3.04Å; G388-S391 PolarHBondContact O-OG 3.06Å; F389-S391 PolarHBondContact O-N 3.44Å; S391-D393 PolarHBondContact O-N 3.08Å; S391-H394 PolarHBondContact O-N 3.08Å; S391-I395 WeakPolarHBondContact O-CD1 3.35Å; S391-I395 WeakPolarHBondContact O-CG1 3.24Å; S391-I395 PolarHBondContact O-N 3.45Å
392K94.7Very high93.4Very high5 Ų532 Ų322%0.02216%0.163CC..Hα-helixtrans-69.5-34.6-163.6-167.7-177.4179.9-170.50112.1L312 L380 A381 G388 F389 I395 I396 T419L312-K392 HydrophobicContact CD1-CG 4.33Å; L380-K392 PolarHBondContact O-NZ 3.17Å; A381-K392 PolarHBondContact O-NZ 3.05Å; G388-K392 VanDerWaalsContact O-CB 3.24Å; G388-K392 WeakPolarHBondContact O-CB 3.35Å; G388-K392 PolarHBondContact O-N 3.46Å; F389-K392 PolarHBondContact O-N 2.94Å; K392-I395 PolarHBondContact O-N 3.29Å; K392-I396 HydrophobicContact CG-CD1 4.29Å; K392-I396 WeakPolarHBondContact O-CG1 3.4Å; K392-I396 PolarHBondContact O-N 3Å; K392-I396 VanDerWaalsContact O-N 3.13Å; K392-T419 PolarHBondContact NZ-OG1 3.49Å
393D94.3Very high93.3Very high15 Ų1543 Ų438%0.0820%0.202CC..Hα-helixtrans-65.1-50.4176-167.966.6000110.5F389 S391 I395 I396 E397 K487 A490F389-D393 HydrophobicContact CD2-CB 3.78Å; F389-D393 HydrophobicContact CE2-CB 3.71Å; F389-D393 HydrophobicContact CG-CB 4.43Å; F389-D393 HydrophobicContact CZ-CB 4.33Å; F389-D393 VanDerWaalsContact O-CB 3.23Å; F389-D393 WeakPolarHBondContact O-CB 3.42Å; F389-D393 PolarHBondContact O-N 3.33Å; F389-D393 VanDerWaalsContact O-N 3.08Å; S391-D393 PolarHBondContact O-N 3.08Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.27Å; D393-I396 PolarHBondContact O-N 3.07Å; D393-I396 VanDerWaalsContact O-N 3.15Å; D393-E397 WeakPolarHBondContact O-CB 3.44Å; D393-E397 PolarHBondContact O-N 3.04Å; D393-K487 IonicContact OD2-NZ 2.93Å; D393-K487 PolarHBondContact OD2-NZ 2.76Å; D393-A490 WeakPolarHBondContact OD1-CB 3.28Å
394H92.3Very high93.2Very high56 Ų5640.2 Ų40.226%0.25919%0.19SC..Hα-helixtrans-62.9-33.3177-72.7-46.1000113.2L324 Y390 S391 E397 T398L324-H394 HydrophobicContact CD2-CB 4.09Å; Y390-H394 PolarHBondContact O-CD2 3.31Å; Y390-H394 VanDerWaalsContact O-CD2 3.3Å; S391-H394 PolarHBondContact O-N 3.08Å; H394-E397 IonicContact CE1-OE2 2.76Å; H394-E397 IonicContact ND1-OE2 3.18Å; H394-E397 PolarHBondContact ND1-OE2 3.2Å; H394-T398 WeakPolarHBondContact O-CB 3.47Å; H394-T398 VanDerWaalsContact O-CG2 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.14Å; H394-T398 PolarHBondContact O-N 2.72Å; H394-T398 PolarHBondContact O-OG1 3.38Å
395I95Very high93.3Very high5 Ų542.1 Ų42.13%0.02620%0.198CC..Hα-helixtrans-62.5-46.9173.6-72.7167.4000111.3L312 T316 L324 H328 S391 K392 D393 T398 A399L312-I395 HydrophobicContact CD2-CB 4.49Å; L312-I395 HydrophobicContact CD2-CD1 3.67Å; L312-I395 HydrophobicContact CD2-CG2 3.84Å; L312-I395 HydrophobicContact CG-CG2 4.12Å; T316-I395 HydrophobicContact CG2-CB 3.81Å; T316-I395 HydrophobicContact CG2-CD1 3.66Å; T316-I395 HydrophobicContact CG2-CG1 3.4Å; T316-I395 HydrophobicContact CG2-CG2 3.17Å; L324-I395 HydrophobicContact CB-CG1 4.26Å; H328-I395 HydrophobicContact CB-CD1 3.8Å; S391-I395 WeakPolarHBondContact O-CD1 3.35Å; S391-I395 WeakPolarHBondContact O-CG1 3.24Å; S391-I395 PolarHBondContact O-N 3.45Å; K392-I395 PolarHBondContact O-N 3.29Å; D393-I395 VanDerWaalsContact C-N 3.28Å; D393-I395 PolarHBondContact O-N 3.27Å; I395-T398 PolarHBondContact O-OG1 3.36Å; I395-T398 VanDerWaalsContact O-OG1 3.06Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.29Å; I395-A399 PolarHBondContact O-N 3.39Å
396I94.8Very high93.4Very high9 Ų938.1 Ų38.15%0.04619%0.194CC..Hα-helixtrans-69.9-39.9-180-66.7164.7000110.6K392 D393 A399 N400 L413 T416 A490K392-I396 HydrophobicContact CG-CD1 4.29Å; K392-I396 WeakPolarHBondContact O-CG1 3.4Å; K392-I396 PolarHBondContact O-N 3Å; K392-I396 VanDerWaalsContact O-N 3.13Å; D393-I396 PolarHBondContact O-N 3.07Å; D393-I396 VanDerWaalsContact O-N 3.15Å; I396-A399 PolarHBondContact O-N 2.92Å; I396-N400 WeakPolarHBondContact O-CB 3.19Å; I396-N400 VanDerWaalsContact O-CG 3.25Å; I396-N400 PolarHBondContact O-N 3.12Å; I396-N400 PolarHBondContact O-ND2 3.29Å; I396-L413 HydrophobicContact CG2-CD2 3.78Å; I396-T416 HydrophobicContact CD1-CG2 3.73Å; I396-T416 HydrophobicContact CG1-CG2 4.41Å; I396-A490 HydrophobicContact CB-CB 4.13Å; I396-A490 HydrophobicContact CD1-CB 3.56Å; I396-A490 HydrophobicContact CG1-CB 4.46Å; I396-A490 HydrophobicContact CG2-CB 4.03Å
397E93.9Very high93.4Very high20 Ų2042.9 Ų42.99%0.09321%0.211CC..Hα-helixtrans-58.4-51.2175.4179.6173.5-145.900111.9D393 H394 A399 N400 M401 V482 K487D393-E397 WeakPolarHBondContact O-CB 3.44Å; D393-E397 PolarHBondContact O-N 3.04Å; H394-E397 IonicContact CE1-OE2 2.76Å; H394-E397 IonicContact ND1-OE2 3.18Å; H394-E397 PolarHBondContact ND1-OE2 3.2Å; E397-A399 PolarHBondContact O-N 3.49Å; E397-N400 PolarHBondContact O-N 3.33Å; E397-M401 WeakPolarHBondContact O-CG 3.37Å; E397-M401 PolarHBondContact O-N 3.05Å; E397-M401 VanDerWaalsContact O-N 3.17Å; E397-V482 HydrophobicContact CG-CG2 3.95Å; E397-V482 WeakPolarHBondContact OE1-CG2 3.08Å; E397-K487 VanDerWaalsContact OE1-CD 3.28Å; E397-K487 WeakPolarHBondContact OE1-CD 3.2Å; E397-K487 WeakPolarHBondContact OE1-CE 3.34Å; E397-K487 IonicContact OE1-NZ 3.18Å; E397-K487 PolarHBondContact OE1-NZ 3.04Å; E397-K487 VanDerWaalsContact OE1-NZ 3.12Å; E397-K487 IonicContact OE2-NZ 2.78Å; E397-K487 PolarHBondContact OE2-NZ 3.43Å
398T92.3Very high93.6Very high13 Ų1343 Ų438%0.0821%0.211CC..Hα-helixtrans-65.9-37.2177.951.20000112.1L324 H394 I395 M401 S402L324-T398 HydrophobicContact CD1-CG2 3.84Å; H394-T398 WeakPolarHBondContact O-CB 3.47Å; H394-T398 VanDerWaalsContact O-CG2 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.14Å; H394-T398 PolarHBondContact O-N 2.72Å; H394-T398 PolarHBondContact O-OG1 3.38Å; I395-T398 PolarHBondContact O-OG1 3.36Å; I395-T398 VanDerWaalsContact O-OG1 3.06Å; T398-M401 PolarHBondContact O-N 3.39Å; T398-S402 VanDerWaalsContact O-CB 3.29Å; T398-S402 WeakPolarHBondContact O-CB 3.46Å; T398-S402 PolarHBondContact O-N 3.16Å; T398-S402 PolarHBondContact O-OG 3.24Å
399A92.8Very high93.8Very high6 Ų644.5 Ų44.55%0.0522%0.219CC..Hα-helixtrans-63.6-41.4175.500000112.5I319 I395 I396 E397 M401 S402 T404 L409I319-A399 HydrophobicContact CD1-CB 4.18Å; I395-A399 VanDerWaalsContact O-CB 3.29Å; I395-A399 WeakPolarHBondContact O-CB 3.29Å; I395-A399 PolarHBondContact O-N 3.39Å; I396-A399 PolarHBondContact O-N 2.92Å; E397-A399 PolarHBondContact O-N 3.49Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.29Å; A399-S402 PolarHBondContact O-OG 2.93Å; A399-T404 WeakPolarHBondContact O-CG2 3.4Å; A399-T404 PolarHBondContact O-OG1 3.19Å; A399-T404 VanDerWaalsContact O-OG1 3.13Å; A399-L409 VanDerWaalsContact C-CD1 3.4Å; A399-L409 HydrophobicContact CB-CD1 4.1Å; A399-L409 WeakPolarHBondContact O-CD1 3.44Å
400N93.2Very high93.8Very high29 Ų2944.5 Ų44.516%0.15523%0.225CC..Hα-helixtrans-67.9-31.4178.9-75.2-30.1000113.3I396 E397 L409 L486 T489I396-N400 WeakPolarHBondContact O-CB 3.19Å; I396-N400 VanDerWaalsContact O-CG 3.25Å; I396-N400 PolarHBondContact O-N 3.12Å; I396-N400 PolarHBondContact O-ND2 3.29Å; E397-N400 PolarHBondContact O-N 3.33Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.43Å; N400-L486 HydrophobicContact CB-CD2 4.36Å; N400-T489 PolarHBondContact ND2-OG1 2.93Å
401M91.9Very high94Very high62 Ų6243.6 Ų43.631%0.30522%0.223SC..Hα-helixtrans-96-13-174.5-67.8-61.3-61.800113.9E397 T398 A399 V482 L486E397-M401 WeakPolarHBondContact O-CG 3.37Å; E397-M401 PolarHBondContact O-N 3.05Å; E397-M401 VanDerWaalsContact O-N 3.17Å; T398-M401 PolarHBondContact O-N 3.39Å; A399-M401 VanDerWaalsContact C-N 3.33Å; A399-M401 PolarHBondContact O-N 3.29Å; M401-V482 HydrophobicContact CG-CG1 4.23Å; M401-V482 HydrophobicContact CG-CG2 3.97Å; M401-V482 HydrophobicContact SD-CG1 4Å; M401-V482 HydrophobicContact SD-CG2 4.32Å; M401-L486 HydrophobicContact SD-CD1 3.65Å
402S89.6Confident94.1Very high38 Ų3844.2 Ų44.227%0.26623%0.227SC..SBendtrans-89.9160.717849.70000112.2T398 A399 T404T398-S402 VanDerWaalsContact O-CB 3.29Å; T398-S402 WeakPolarHBondContact O-CB 3.46Å; T398-S402 PolarHBondContact O-N 3.16Å; T398-S402 PolarHBondContact O-OG 3.24Å; A399-S402 PolarHBondContact O-OG 2.93Å; S402-T404 VanDerWaalsContact C-N 3.25Å; S402-T404 PolarHBondContact O-N 3.47Å; S402-T404 WeakPolarHBondContact OG-CG2 3.34Å
403Y90.9Very high94.2Very high246 Ų24645.6 Ų45.697%0.96523%0.234SC*.SBendtrans-72.181.7173.9-175.2-101.3000109.9
404T92.2Very high94.4Very high37 Ų3749 Ų4923%0.22725%0.251CS..  trans-110.7158.1-175.360.40000111.8I319 A399 S402 A406I319-T404 HydrophobicContact CB-CG2 4.38Å; I319-T404 HydrophobicContact CG2-CG2 3.46Å; I319-T404 VanDerWaalsContact CG2-CG2 3.46Å; A399-T404 WeakPolarHBondContact O-CG2 3.4Å; A399-T404 PolarHBondContact O-OG1 3.19Å; A399-T404 VanDerWaalsContact O-OG1 3.13Å; S402-T404 VanDerWaalsContact C-N 3.25Å; S402-T404 PolarHBondContact O-N 3.47Å; S402-T404 WeakPolarHBondContact OG-CG2 3.34Å; T404-A406 PolarHBondContact O-N 3.25Å; T404-A406 VanDerWaalsContact O-N 3.14Å
405N94.8Very high94.6Very high77 Ų7746.5 Ų46.541%0.41224%0.24SC..  trans-65.1115170.2-176.5-8.2000109.4L278 W407 A408 L409L278-N405 HydrophobicContact CD2-CB 3.74Å; N405-W407 PolarHBondContact O-N 3.38Å; N405-W407 VanDerWaalsContact O-N 3.13Å; N405-W407 WeakPolarHBondContact OD1-CB 3.41Å; N405-W407 PolarHBondContact OD1-N 2.77Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; N405-A408 HydrophobicContact CB-CB 4.19Å; N405-A408 WeakPolarHBondContact O-CB 3.2Å; N405-A408 PolarHBondContact O-N 2.71Å; N405-L409 PolarHBondContact O-N 3.27Å
406A95.1Very high94.7Very high73 Ų7346.4 Ų46.460%0.60324%0.24SC*.Hα-helixtrans-55.1-33.4-17900000112.9T404 L409 S410T404-A406 PolarHBondContact O-N 3.25Å; T404-A406 VanDerWaalsContact O-N 3.14Å; A406-L409 PolarHBondContact O-N 2.94Å; A406-S410 WeakPolarHBondContact O-CB 3.47Å; A406-S410 PolarHBondContact O-N 3.38Å; A406-S410 PolarHBondContact O-OG 3.11Å
407W96.6Very high94.8Very high124 Ų12446.8 Ų46.847%0.4724%0.244SC..Hα-helixtrans-64.9-47.7175.9178.581000111.8I283 N405 L409 S410 I411I283-W407 HydrophobicContact CD1-CH2 3.78Å; I283-W407 HydrophobicContact CD1-CZ3 4.23Å; I283-W407 HydrophobicContact CG1-CH2 3.42Å; I283-W407 VanDerWaalsContact CG1-CH2 3.42Å; I283-W407 HydrophobicContact CG1-CZ2 4.48Å; I283-W407 HydrophobicContact CG1-CZ3 3.92Å; N405-W407 PolarHBondContact O-N 3.38Å; N405-W407 VanDerWaalsContact O-N 3.13Å; N405-W407 WeakPolarHBondContact OD1-CB 3.41Å; N405-W407 PolarHBondContact OD1-N 2.77Å; N405-W407 VanDerWaalsContact OD1-N 3.1Å; W407-L409 VanDerWaalsContact C-N 3.32Å; W407-L409 PolarHBondContact O-N 2.97Å; W407-S410 PolarHBondContact O-N 3.41Å; W407-S410 PolarHBondContact O-OG 2.96Å; W407-I411 HydrophobicContact CD2-CD1 3.6Å; W407-I411 HydrophobicContact CE3-CD1 3.99Å; W407-I411 HydrophobicContact CG-CD1 4.3Å; W407-I411 HydrophobicContact CH2-CD1 3.67Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.02Å; W407-I411 WeakPolarHBondContact O-CG1 3.37Å; W407-I411 PolarHBondContact O-N 3.2Å; W407-I411 VanDerWaalsContact O-N 3.07Å
408A96.4Very high94.9Very high1 Ų147.3 Ų47.31%0.00825%0.247CC..Hα-helixtrans-61.7-43.7177.700000110.7L278 A282 N405 I411 T412L278-A408 HydrophobicContact CD2-CB 3.41Å; L278-A408 VanDerWaalsContact CD2-CB 3.41Å; L278-A408 HydrophobicContact CG-CB 3.89Å; A282-A408 HydrophobicContact CB-CB 3.79Å; N405-A408 HydrophobicContact CB-CB 4.19Å; N405-A408 WeakPolarHBondContact O-CB 3.2Å; N405-A408 PolarHBondContact O-N 2.71Å; A408-I411 PolarHBondContact O-N 3.27Å; A408-T412 WeakPolarHBondContact O-CG2 3.22Å; A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 2.97Å
409L96.1Very high95.1Very high34 Ų3446.8 Ų46.818%0.17824%0.244CC..Hα-helixtrans-58.7-52.6176.7-173.4121.2000112.3A399 N400 N405 A406 W407 I411 T412 L413A399-L409 VanDerWaalsContact C-CD1 3.4Å; A399-L409 HydrophobicContact CB-CD1 4.1Å; A399-L409 WeakPolarHBondContact O-CD1 3.44Å; N400-L409 WeakPolarHBondContact OD1-CD1 3.43Å; N405-L409 PolarHBondContact O-N 3.27Å; A406-L409 PolarHBondContact O-N 2.94Å; W407-L409 VanDerWaalsContact C-N 3.32Å; W407-L409 PolarHBondContact O-N 2.97Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.2Å; L409-T412 PolarHBondContact O-N 2.88Å; L409-T412 VanDerWaalsContact O-N 3.08Å; L409-T412 PolarHBondContact O-OG1 3.08Å; L409-L413 HydrophobicContact CD2-CD1 3.93Å; L409-L413 PolarHBondContact O-N 3.45Å
410S96.1Very high95.3Very high51 Ų5146.7 Ų46.736%0.35724%0.242SC..Hα-helixtrans-57.7-40.1179.364.60000112.3A406 W407 L413 I414A406-S410 WeakPolarHBondContact O-CB 3.47Å; A406-S410 PolarHBondContact O-N 3.38Å; A406-S410 PolarHBondContact O-OG 3.11Å; W407-S410 PolarHBondContact O-N 3.41Å; W407-S410 PolarHBondContact O-OG 2.96Å; S410-L413 PolarHBondContact O-N 2.95Å; S410-I414 WeakPolarHBondContact O-CG1 3.42Å; S410-I414 PolarHBondContact O-N 3.15Å
411I96.4Very high95.4Very high14 Ų1445.7 Ų45.77%0.07224%0.238CC..Hα-helixtrans-64.5-44175.6-73.5-179.3000111.7A282 L286 W407 A408 L409 L413 I414 A415A282-I411 HydrophobicContact CB-CG2 4.27Å; A282-I411 VanDerWaalsContact O-CG2 3.24Å; A282-I411 WeakPolarHBondContact O-CG2 3.21Å; L286-I411 HydrophobicContact CB-CG2 3.55Å; L286-I411 HydrophobicContact CD1-CG2 4.36Å; L286-I411 HydrophobicContact CD2-CD1 4.44Å; L286-I411 HydrophobicContact CD2-CG1 4.43Å; L286-I411 HydrophobicContact CD2-CG2 3.92Å; L286-I411 HydrophobicContact CG-CG2 4.14Å; W407-I411 HydrophobicContact CD2-CD1 3.6Å; W407-I411 HydrophobicContact CE3-CD1 3.99Å; W407-I411 HydrophobicContact CG-CD1 4.3Å; W407-I411 HydrophobicContact CH2-CD1 3.67Å; W407-I411 HydrophobicContact CZ2-CD1 3.18Å; W407-I411 HydrophobicContact CZ3-CD1 4.02Å; W407-I411 WeakPolarHBondContact O-CG1 3.37Å; W407-I411 PolarHBondContact O-N 3.2Å; W407-I411 VanDerWaalsContact O-N 3.07Å; A408-I411 PolarHBondContact O-N 3.27Å; L409-I411 VanDerWaalsContact C-N 3.26Å; L409-I411 PolarHBondContact O-N 3.2Å; I411-L413 VanDerWaalsContact C-N 3.32Å; I411-L413 PolarHBondContact O-N 3.13Å; I411-I414 PolarHBondContact O-N 3.27Å; I411-A415 WeakPolarHBondContact O-CB 3.45Å; I411-A415 PolarHBondContact O-N 3.09Å
412T97.2Very high95.6Very high14 Ų1442.8 Ų42.89%0.08622%0.224CC..Hα-helixtrans-63.1-38.7177.658.30000112.4A282 V315 A408 L409 A415 T416A282-T412 HydrophobicContact CB-CG2 4.17Å; V315-T412 HydrophobicContact CB-CG2 4.36Å; V315-T412 HydrophobicContact CG1-CG2 4.06Å; V315-T412 HydrophobicContact CG2-CG2 3.74Å; A408-T412 WeakPolarHBondContact O-CG2 3.22Å; A408-T412 PolarHBondContact O-N 2.97Å; A408-T412 PolarHBondContact O-OG1 2.97Å; L409-T412 PolarHBondContact O-N 2.88Å; L409-T412 VanDerWaalsContact O-N 3.08Å; L409-T412 PolarHBondContact O-OG1 3.08Å; T412-A415 PolarHBondContact O-N 3.37Å; T412-T416 WeakPolarHBondContact O-CG2 3.4Å; T412-T416 PolarHBondContact O-N 2.59Å
413L96.8Very high95.9Very high34 Ų3441.2 Ų41.218%0.17821%0.213CC..Hα-helixtrans-62.7-46.1174.5-67174.5000110.9I396 L409 S410 I411 A415 T416 S417 V493I396-L413 HydrophobicContact CG2-CD2 3.78Å; L409-L413 HydrophobicContact CD2-CD1 3.93Å; L409-L413 PolarHBondContact O-N 3.45Å; S410-L413 PolarHBondContact O-N 2.95Å; I411-L413 VanDerWaalsContact C-N 3.32Å; I411-L413 PolarHBondContact O-N 3.13Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.5Å; L413-T416 PolarHBondContact O-N 3.4Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.33Å; L413-S417 PolarHBondContact O-N 3.44Å; L413-S417 VanDerWaalsContact O-N 3.13Å; L413-V493 WeakPolarHBondContact O-CG1 3.31Å
414I97.5Very high96.2Very high86 Ų8630 Ų3044%0.44117%0.17SC..Hα-helixtrans-59.6-43.7174.1-64.7164.2000110.7L286 S410 I411 T416 S417 L418L286-I414 HydrophobicContact CD1-CB 4.34Å; L286-I414 HydrophobicContact CD1-CG2 3.79Å; S410-I414 WeakPolarHBondContact O-CG1 3.42Å; S410-I414 PolarHBondContact O-N 3.15Å; I411-I414 PolarHBondContact O-N 3.27Å; I414-T416 VanDerWaalsContact C-N 3.27Å; I414-T416 PolarHBondContact O-N 2.87Å; I414-S417 PolarHBondContact O-N 3.44Å; I414-S417 PolarHBondContact O-OG 2.94Å; I414-L418 HydrophobicContact CG2-CD1 4.39Å; I414-L418 HydrophobicContact CG2-CG 4.46Å; I414-L418 WeakPolarHBondContact O-CG 3.24Å; I414-L418 PolarHBondContact O-N 3.33Å
415A97Very high96.3Very high3 Ų330.6 Ų30.63%0.02517%0.168CC..Hα-helixtrans-60.8-37.817700000111.8T285 I411 T412 L413 L418 T419T285-A415 WeakPolarHBondContact OG1-CB 3.32Å; I411-A415 WeakPolarHBondContact O-CB 3.45Å; I411-A415 PolarHBondContact O-N 3.09Å; T412-A415 PolarHBondContact O-N 3.37Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.5Å; A415-L418 PolarHBondContact O-N 3.05Å; A415-T419 WeakPolarHBondContact O-CG2 3.27Å; A415-T419 PolarHBondContact O-N 3.49Å
416T96.3Very high96.3Very high3 Ų327 Ų272%0.01815%0.149CC..Hα-helixtrans-65.4-38.917765.30000112.7L312 I396 T412 L413 I414 T419 S420 V493L312-T416 HydrophobicContact CD1-CG2 4.29Å; I396-T416 HydrophobicContact CD1-CG2 3.73Å; I396-T416 HydrophobicContact CG1-CG2 4.41Å; T412-T416 WeakPolarHBondContact O-CG2 3.4Å; T412-T416 PolarHBondContact O-N 2.59Å; L413-T416 PolarHBondContact O-N 3.4Å; L413-T416 VanDerWaalsContact O-N 3.11Å; L413-T416 PolarHBondContact O-OG1 3.33Å; I414-T416 VanDerWaalsContact C-N 3.27Å; I414-T416 PolarHBondContact O-N 2.87Å; T416-T419 PolarHBondContact O-N 3.4Å; T416-T419 PolarHBondContact O-OG1 3Å; T416-S420 PolarHBondContact O-N 2.82Å; T416-V493 VanDerWaalsContact OG1-CG1 3.24Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.46Å
417S97.3Very high96.4Very high18 Ų1825 Ų2513%0.12613%0.128CC..Hα-helixtrans-66.8-38.6173640000111.8L413 I414 T419 S420 A421 V493 G497L413-S417 PolarHBondContact O-N 3.44Å; L413-S417 VanDerWaalsContact O-N 3.13Å; I414-S417 PolarHBondContact O-N 3.44Å; I414-S417 PolarHBondContact O-OG 2.94Å; S417-T419 PolarHBondContact O-N 3.4Å; S417-S420 PolarHBondContact O-N 2.9Å; S417-S420 PolarHBondContact O-OG 2.98Å; S417-A421 PolarHBondContact O-N 3.43Å; S417-V493 VanDerWaalsContact CB-O 3.31Å; S417-V493 WeakPolarHBondContact CB-O 3.49Å; S417-G497 WeakPolarHBondContact O-CA 3.22Å
418L96.8Very high96.2Very high31 Ų3120.9 Ų20.916%0.16212%0.115CC..Hα-helixtrans-63.5-31.2174.3-65.1-175000112L286 A289 V290 L293 I414 A415 A421 Y422L286-L418 HydrophobicContact CD1-CD1 4.36Å; A289-L418 HydrophobicContact CB-CB 3.75Å; A289-L418 HydrophobicContact CB-CD1 4.04Å; V290-L418 HydrophobicContact CG2-CD1 3.73Å; L293-L418 HydrophobicContact CD1-CD1 4.38Å; L293-L418 HydrophobicContact CD1-CD2 3.8Å; L293-L418 HydrophobicContact CD2-CD2 4.45Å; I414-L418 HydrophobicContact CG2-CD1 4.39Å; I414-L418 HydrophobicContact CG2-CG 4.46Å; I414-L418 WeakPolarHBondContact O-CG 3.24Å; I414-L418 PolarHBondContact O-N 3.33Å; A415-L418 PolarHBondContact O-N 3.05Å; L418-A421 PolarHBondContact O-N 3.04Å; L418-A421 VanDerWaalsContact O-N 3.1Å; L418-Y422 WeakPolarHBondContact O-CD1 3.23Å; L418-Y422 PolarHBondContact O-N 3.18Å
419T96.8Very high96.1Very high2 Ų222.9 Ų22.91%0.01213%0.125CC..Hα-helixtrans-61-45.3174.870.30000113.3K392 A415 T416 S417 A421 Y422 S423K392-T419 PolarHBondContact NZ-OG1 3.49Å; A415-T419 WeakPolarHBondContact O-CG2 3.27Å; A415-T419 PolarHBondContact O-N 3.49Å; T416-T419 PolarHBondContact O-N 3.4Å; T416-T419 PolarHBondContact O-OG1 3Å; S417-T419 PolarHBondContact O-N 3.4Å; T419-A421 VanDerWaalsContact C-N 3.34Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 3.4Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.29Å; T419-S423 VanDerWaalsContact O-CB 3.28Å; T419-S423 WeakPolarHBondContact O-CB 2.9Å; T419-S423 PolarHBondContact O-N 3.42Å; T419-S423 PolarHBondContact O-OG 3.08Å
420S96.1Very high96.1Very high3 Ų321.2 Ų21.22%0.02112%0.116CC..Hα-helixtrans-61.2-43.6170.132.50000111.2T416 S417 S423 T424 T494 G497T416-S420 PolarHBondContact O-N 2.82Å; S417-S420 PolarHBondContact O-N 2.9Å; S417-S420 PolarHBondContact O-OG 2.98Å; S420-S423 WeakPolarHBondContact CA-OG 3.44Å; S420-S423 PolarHBondContact O-N 2.79Å; S420-S423 PolarHBondContact O-OG 3.4Å; S420-T424 WeakPolarHBondContact O-CG2 3.25Å; S420-T424 PolarHBondContact O-N 3.3Å; S420-T424 PolarHBondContact O-OG1 2.94Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; S420-T494 VanDerWaalsContact CB-O 3.31Å; S420-T494 WeakPolarHBondContact CB-O 3.49Å; S420-T494 PolarHBondContact OG-O 3.2Å; S420-T494 VanDerWaalsContact OG-O 3.08Å; S420-G497 WeakPolarHBondContact OG-CA 3.4Å
421A96.6Very high96.1Very high9 Ų918.9 Ų18.97%0.07410%0.1CC..Hα-helixtrans-64.4-45.2-174.700000114.4L293 S417 L418 T419 S423 T424 R425 A501L293-A421 HydrophobicContact CD2-CB 3.95Å; S417-A421 PolarHBondContact O-N 3.43Å; L418-A421 PolarHBondContact O-N 3.04Å; L418-A421 VanDerWaalsContact O-N 3.1Å; T419-A421 VanDerWaalsContact C-N 3.34Å; A421-S423 VanDerWaalsContact C-N 3.35Å; A421-T424 PolarHBondContact O-OG1 3.38Å; A421-R425 WeakPolarHBondContact O-CB 3.22Å; A421-R425 PolarHBondContact O-N 3Å; A421-R425 VanDerWaalsContact O-N 3.12Å; A421-A501 HydrophobicContact CB-CB 3.94Å; A421-A501 WeakPolarHBondContact O-CB 3.49Å
422Y96.1Very high95.9Very high1 Ų121 Ų210%0.00411%0.114CC..Hα-helixtrans-73.4-28.9176.364-116.4000112.1A289 A292 S305 L380 L418 T419 M426A289-Y422 HydrophobicContact CB-CE1 4.09Å; A292-Y422 HydrophobicContact CB-CD1 3.64Å; A292-Y422 HydrophobicContact CB-CE1 4.1Å; A292-Y422 HydrophobicContact CB-CG 3.88Å; S305-Y422 WeakPolarHBondContact CB-OH 3.31Å; L380-Y422 HydrophobicContact CD2-CE2 4.05Å; L418-Y422 WeakPolarHBondContact O-CD1 3.23Å; L418-Y422 PolarHBondContact O-N 3.18Å; T419-Y422 VanDerWaalsContact CA-CZ 3.47Å; T419-Y422 WeakPolarHBondContact CB-OH 3.4Å; T419-Y422 HydrophobicContact CG2-CE1 3.99Å; T419-Y422 WeakPolarHBondContact CG2-OH 3.29Å; Y422-M426 PolarHBondContact O-N 3.48Å
423S95.6Very high95.6Very high4 Ų423 Ų233%0.02814%0.136CC..Hα-helixtrans-67.8-43.1177.874.70000111.5T419 S420 A421 M426 I427T419-S423 VanDerWaalsContact O-CB 3.28Å; T419-S423 WeakPolarHBondContact O-CB 2.9Å; T419-S423 PolarHBondContact O-N 3.42Å; T419-S423 PolarHBondContact O-OG 3.08Å; S420-S423 WeakPolarHBondContact CA-OG 3.44Å; S420-S423 PolarHBondContact O-N 2.79Å; S420-S423 PolarHBondContact O-OG 3.4Å; A421-S423 VanDerWaalsContact C-N 3.35Å; S423-M426 WeakPolarHBondContact O-CB 3.28Å; S423-M426 PolarHBondContact O-N 3.19Å; S423-I427 WeakPolarHBondContact O-CG1 3.2Å; S423-I427 PolarHBondContact O-N 2.93Å; S423-I427 VanDerWaalsContact O-N 3.08Å
424T95.4Very high95.3Very high12 Ų1228.8 Ų28.87%0.07416%0.163CC..Hα-helixtrans-69.6-39.1176.754.40000111.2S420 A421 M426 I427 L428 L498 A501S420-T424 WeakPolarHBondContact O-CG2 3.25Å; S420-T424 PolarHBondContact O-N 3.3Å; S420-T424 PolarHBondContact O-OG1 2.94Å; S420-T424 VanDerWaalsContact O-OG1 3.06Å; A421-T424 PolarHBondContact O-OG1 3.38Å; T424-M426 VanDerWaalsContact C-N 3.32Å; T424-M426 PolarHBondContact O-N 3.33Å; T424-I427 PolarHBondContact O-N 3.05Å; T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CD1 3.47Å; T424-L428 WeakPolarHBondContact O-CG 3.2Å; T424-L428 PolarHBondContact O-N 2.92Å; T424-L498 HydrophobicContact CG2-CB 4.23Å; T424-L498 HydrophobicContact CG2-CD1 3.95Å; T424-L498 HydrophobicContact CG2-CG 3.85Å; T424-A501 WeakPolarHBondContact OG1-CB 3.4Å
425R95.4Very high95.1Very high48 Ų4828.1 Ų28.118%0.18116%0.164CC..Hα-helixtrans-54.5-47.2170.1173.1-177.3161.4129.3-4.9111.8L293 T294 Q295 N296 A421 L428 L429L293-R425 WeakPolarHBondContact O-CD 3.27Å; L293-R425 PolarHBondContact O-NE 3.21Å; L293-R425 VanDerWaalsContact O-NE 3.08Å; L293-R425 PolarHBondContact O-NH1 2.58Å; T294-R425 PolarHBondContact O-NH2 3.39Å; Q295-R425 PolarHBondContact O-NH2 3.44Å; Q295-R425 VanDerWaalsContact O-NH2 3.13Å; N296-R425 PolarHBondContact OD1-NH2 2.88Å; N296-R425 VanDerWaalsContact OD1-NH2 3.09Å; A421-R425 WeakPolarHBondContact O-CB 3.22Å; A421-R425 PolarHBondContact O-N 3Å; A421-R425 VanDerWaalsContact O-N 3.12Å; R425-L428 PolarHBondContact O-N 2.68Å; R425-L429 HydrophobicContact CG-CD1 3.82Å; R425-L429 WeakPolarHBondContact O-CB 3.26Å; R425-L429 PolarHBondContact O-N 3.1Å
426M95.4Very high95Very high3 Ų332.9 Ų32.92%0.01518%0.181CC..Hα-helixtrans-59.4-50.3178-174.7-147.6-58.100110.7I298 I301 V302 L373 Y422 S423 T424 L428 T430I298-M426 HydrophobicContact CG1-CG 4.38Å; I301-M426 HydrophobicContact CG2-CE 4.23Å; V302-M426 HydrophobicContact CG2-CE 3.89Å; L373-M426 HydrophobicContact CD1-SD 4.09Å; L373-M426 HydrophobicContact CD2-SD 4.32Å; L373-M426 HydrophobicContact CG-SD 4.39Å; Y422-M426 PolarHBondContact O-N 3.48Å; S423-M426 WeakPolarHBondContact O-CB 3.28Å; S423-M426 PolarHBondContact O-N 3.19Å; T424-M426 VanDerWaalsContact C-N 3.32Å; T424-M426 PolarHBondContact O-N 3.33Å; M426-L428 PolarHBondContact O-N 3.23Å; M426-T430 HydrophobicContact CG-CG2 4.41Å; M426-T430 WeakPolarHBondContact O-CB 3.33Å; M426-T430 VanDerWaalsContact O-CG2 3.23Å; M426-T430 WeakPolarHBondContact O-CG2 3.41Å; M426-T430 PolarHBondContact O-N 3.46Å; M426-T430 PolarHBondContact O-OG1 2.95Å
427I95.8Very high94.9Very high30 Ų3034.7 Ų34.715%0.15419%0.189CC..Hα-helixtrans-57.9-49.1178.9-66.4165.6000111T374 S377 S423 T424 L431T374-I427 HydrophobicContact CG2-CG2 4.17Å; S377-I427 WeakPolarHBondContact OG-CD1 3.45Å; S423-I427 WeakPolarHBondContact O-CG1 3.2Å; S423-I427 PolarHBondContact O-N 2.93Å; S423-I427 VanDerWaalsContact O-N 3.08Å; T424-I427 PolarHBondContact O-N 3.05Å; I427-L431 HydrophobicContact CG2-CD1 4.25Å; I427-L431 VanDerWaalsContact O-CB 3.31Å; I427-L431 WeakPolarHBondContact O-CB 3.25Å; I427-L431 PolarHBondContact O-N 3.02Å
428L94.1Very high94.6Very high38 Ų3837 Ų3720%0.19920%0.204CC..Hα-helixtrans-65.7-47-173.6-71161.8000111.6T424 R425 M426 T432 L502 N505T424-L428 WeakPolarHBondContact O-CB 3.45Å; T424-L428 WeakPolarHBondContact O-CD1 3.47Å; T424-L428 WeakPolarHBondContact O-CG 3.2Å; T424-L428 PolarHBondContact O-N 2.92Å; R425-L428 PolarHBondContact O-N 2.68Å; M426-L428 PolarHBondContact O-N 3.23Å; L428-T432 WeakPolarHBondContact CA-OG1 3.34Å; L428-T432 HydrophobicContact CD2-CG2 4.36Å; L428-T432 PolarHBondContact O-N 2.71Å; L428-T432 PolarHBondContact O-OG1 3.43Å; L428-L502 HydrophobicContact CD1-CD2 3.7Å; L428-L502 HydrophobicContact CD2-CD2 4.12Å; L428-L502 HydrophobicContact CG-CD2 4.49Å; L428-N505 HydrophobicContact CD1-CB 4.1Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.34Å
429L94.3Very high94.3Very high42 Ų4242.4 Ų42.422%0.2224%0.238CC..Hα-helixtrans-71.4-35.7-178.9-68.8173.8000112.6I356 R425 R436I356-L429 HydrophobicContact CB-CB 4.4Å; I356-L429 HydrophobicContact CD1-CB 4.43Å; I356-L429 HydrophobicContact CD1-CD1 3.55Å; I356-L429 HydrophobicContact CG1-CB 4.49Å; I356-L429 HydrophobicContact CG1-CD1 4.1Å; R425-L429 HydrophobicContact CG-CD1 3.82Å; R425-L429 WeakPolarHBondContact O-CB 3.26Å; R425-L429 PolarHBondContact O-N 3.1Å; L429-R436 PolarHBondContact O-NH2 3.41Å
430T95.4Very high93.7Very high0 Ų049.3 Ų49.30%027%0.274CS..Hα-helixtrans-85.3-46.9-175.860.90000113I298 I356 M359 G360 L362 M426I298-T430 HydrophobicContact CD1-CG2 4.02Å; I356-T430 HydrophobicContact CB-CG2 4.07Å; I356-T430 HydrophobicContact CG2-CG2 3.67Å; M359-T430 HydrophobicContact SD-CG2 3.68Å; G360-T430 VanDerWaalsContact CA-O 3.27Å; G360-T430 WeakPolarHBondContact CA-O 3.36Å; G360-T430 PolarHBondContact N-O 3.08Å; G360-T430 VanDerWaalsContact N-O 3.16Å; L362-T430 WeakPolarHBondContact CD1-O 3.48Å; L362-T430 WeakPolarHBondContact CG-O 3.44Å; M426-T430 HydrophobicContact CG-CG2 4.41Å; M426-T430 WeakPolarHBondContact O-CB 3.33Å; M426-T430 VanDerWaalsContact O-CG2 3.23Å; M426-T430 WeakPolarHBondContact O-CG2 3.41Å; M426-T430 PolarHBondContact O-N 3.46Å; M426-T430 PolarHBondContact O-OG1 2.95Å
431L95.5Very high93.1Very high2 Ų250.2 Ų50.21%0.0128%0.279CS..Hα-helixtrans-93.8-37.7-170.6-58.6-174.8000113.3G361 L362 L363 L373 T374 I427G361-L431 CarbonylContact C-O 3.45Å; G361-L431 WeakPolarHBondContact CA-O 3.46Å; G361-L431 PolarHBondContact N-O 3.17Å; L362-L431 HydrophobicContact CB-CD2 4.04Å; L362-L431 PolarHBondContact N-O 3.11Å; L362-L431 VanDerWaalsContact N-O 3.16Å; L363-L431 PolarHBondContact N-O 2.79Å; L373-L431 HydrophobicContact CB-CD1 4.44Å; L373-L431 HydrophobicContact CD2-CD1 3.79Å; L373-L431 HydrophobicContact CD2-CD2 3.98Å; L373-L431 HydrophobicContact CD2-CG 3.84Å; T374-L431 HydrophobicContact CG2-CD1 3.66Å; I427-L431 HydrophobicContact CG2-CD1 4.25Å; I427-L431 VanDerWaalsContact O-CB 3.31Å; I427-L431 WeakPolarHBondContact O-CB 3.25Å; I427-L431 PolarHBondContact O-N 3.02Å
432T93.1Very high92.6Very high58 Ų5856.5 Ų56.536%0.35631%0.312SS..SBendtrans-97.7178.3-173.977.90000112.6G361 L428G361-T432 PolarHBondContact N-O 2.87Å; L428-T432 WeakPolarHBondContact CA-OG1 3.34Å; L428-T432 HydrophobicContact CD2-CG2 4.36Å; L428-T432 PolarHBondContact O-N 2.71Å; L428-T432 PolarHBondContact O-OG1 3.43Å
433G89.8Confident92.4Very high55 Ų5558.7 Ų58.757%0.56732%0.323SS*.SBendtrans74.5-164.8-178.500000113.6G361G361-G433 WeakPolarHBondContact CA-O 3.42Å; G361-G433 PolarHBondContact N-O 3.44Å
434Q90.9Very high92.2Very high156 Ų15662.9 Ų62.973%0.72935%0.345SS*.SBendtrans-86150178.5-62.3-62.9-13.900111.2R436Q434-R436 PolarHBondContact O-N 3.09Å; Q434-R436 PolarHBondContact O-NH1 3.24Å; Q434-R436 VanDerWaalsContact O-NH1 3.08Å
435P94.3Very high92.2Very high72 Ų7262.8 Ų62.847%0.46834%0.344SS..  trans-63.9127.5175.327.9-34.6000110.9G360 F437G360-P435 WeakPolarHBondContact O-CA 3.38Å; P435-F437 HydrophobicContact CB-CD1 3.87Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.26Å; P435-F437 HydrophobicContact CB-CZ 3.51Å
436R94Very high92.1Very high104 Ų10466.8 Ų66.839%0.39237%0.369SS..  trans-115.48.4176.1-57.8174.3-65-803.8112.9R357 K358 M359 L429 Q434R357-R436 WeakPolarHBondContact O-CD 3.28Å; R357-R436 PolarHBondContact O-NE 3.23Å; K358-R436 CarbonylContact O-C 3.51Å; M359-R436 WeakPolarHBondContact O-CB 3.48Å; M359-R436 PolarHBondContact O-N 2.91Å; M359-R436 PolarHBondContact O-NE 3.02Å; M359-R436 PolarHBondContact O-NH2 2.93Å; M359-R436 VanDerWaalsContact O-NH2 3.1Å; L429-R436 PolarHBondContact O-NH2 3.41Å; Q434-R436 PolarHBondContact O-N 3.09Å; Q434-R436 PolarHBondContact O-NH1 3.24Å; Q434-R436 VanDerWaalsContact O-NH1 3.08Å
437F93.6Very high92.1Very high41 Ų4169.5 Ų69.518%0.1838%0.383CS..SBendtrans-79.7161.7176.851.8-100.8000111L350 K358 G360 L362 P435 T441 I443L350-F437 HydrophobicContact CD2-CB 3.8Å; L350-F437 HydrophobicContact CD2-CD1 4.05Å; L350-F437 HydrophobicContact CD2-CD2 4.24Å; L350-F437 HydrophobicContact CD2-CG 3.79Å; K358-F437 WeakPolarHBondContact O-CA 3.44Å; K358-F437 VanDerWaalsContact O-CB 3.26Å; K358-F437 WeakPolarHBondContact O-CB 3.39Å; K358-F437 PolarHBondContact O-N 3.43Å; K358-F437 VanDerWaalsContact O-N 3.09Å; G360-F437 WeakPolarHBondContact O-CE1 3.32Å; L362-F437 HydrophobicContact CD2-CE1 4.25Å; P435-F437 HydrophobicContact CB-CD1 3.87Å; P435-F437 HydrophobicContact CB-CE1 3.28Å; P435-F437 HydrophobicContact CB-CE2 4.26Å; P435-F437 HydrophobicContact CB-CZ 3.51Å; F437-T441 HydrophobicContact CD2-CG2 4.15Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.03Å; F437-T441 VanDerWaalsContact CE2-OG1 3.23Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.4Å; F437-I443 HydrophobicContact CE2-CD1 4.31Å; F437-I443 HydrophobicContact CZ-CD1 4.03Å
438P91.3Very high92.1Very high66 Ų6671.6 Ų71.643%0.42940%0.399SS..  trans-55.8145.6176.8-23.833.7000112.6L440 T441P438-L440 VanDerWaalsContact C-N 3.27Å; P438-L440 PolarHBondContact O-N 2.86Å; P438-T441 WeakPolarHBondContact O-CG2 3.35Å; P438-T441 PolarHBondContact O-OG1 3.14Å
439T89.9Confident92.1Very high144 Ų14471 Ų7188%0.88340%0.397SS*.SBendtrans-58.7-34.7-174.151.20000114T441T439-T441 PolarHBondContact O-N 3.34Å
440L85.8Confident92.2Very high148 Ų14869 Ų6978%0.77539%0.387SS*.  trans-96.572.4-178.9-86.8151.8000111.6P438P438-L440 VanDerWaalsContact C-N 3.27Å; P438-L440 PolarHBondContact O-N 2.86Å
441T82.9Confident92.2Very high21 Ų2170.5 Ų70.513%0.12940%0.395CS..  trans-116.9121.617346.30000111L350 F437 P438 T439 I443L350-T441 HydrophobicContact CD2-CG2 4.16Å; F437-T441 HydrophobicContact CD2-CG2 4.15Å; F437-T441 WeakPolarHBondContact CD2-OG1 3.03Å; F437-T441 VanDerWaalsContact CE2-OG1 3.23Å; F437-T441 WeakPolarHBondContact CE2-OG1 3.4Å; P438-T441 WeakPolarHBondContact O-CG2 3.35Å; P438-T441 PolarHBondContact O-OG1 3.14Å; T439-T441 PolarHBondContact O-N 3.34Å; T441-I443 PolarHBondContact O-N 2.85Å; T441-I443 VanDerWaalsContact O-N 3.15Å
442N85.2Confident92.3Very high142 Ų14273.5 Ų73.576%0.75941%0.41SS*.  trans-86.880.4176.1-78.3-1.8000109.5N444N442-N444 PolarHBondContact O-N 3.1Å
443I92.7Very high92.5Very high46 Ų4670.7 Ų70.724%0.23639%0.393CS..  trans-73.3117.2176.5-59.8173.5000108.7N349 L350 L362 T365 M366 F437 T441N349-I443 HydrophobicContact CB-CG2 4.46Å; L350-I443 HydrophobicContact CD2-CD1 4.44Å; L362-I443 HydrophobicContact CD2-CD1 4.38Å; T365-I443 HydrophobicContact CG2-CD1 4.32Å; M366-I443 HydrophobicContact CG-CG2 3.34Å; 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 2.85Å; T441-I443 VanDerWaalsContact O-N 3.15Å
444N92.4Very high92.8Very high92 Ų9268.1 Ų68.149%0.49237%0.366SS..  trans-137.6121.7172.7-1746.5000110.5N349 N442 N446N349-N444 PolarHBondContact ND2-O 3.13Å; N349-N444 PolarHBondContact OD1-O 3.23Å; N442-N444 PolarHBondContact O-N 3.1Å; N444-N446 WeakPolarHBondContact OD1-CB 3.24Å; N444-N446 PolarHBondContact OD1-N 2.71Å
445E93.9Very high93.1Very high10 Ų1065.9 Ų65.95%0.04736%0.355CS..  trans-106.1-7.1177.3-148.9-174.7166.100112.7M366 L368 T369 N447 L450 L451M366-E445 WeakPolarHBondContact CA-OE2 3.42Å; M366-E445 WeakPolarHBondContact CB-OE2 3.49Å; M366-E445 HydrophobicContact CE-CG 4.17Å; L368-E445 VanDerWaalsContact CB-OE1 3.29Å; L368-E445 WeakPolarHBondContact CB-OE1 3.4Å; L368-E445 PolarHBondContact N-OE2 2.92Å; T369-E445 WeakPolarHBondContact CB-OE1 3.36Å; T369-E445 HydrophobicContact CG2-CG 4.28Å; T369-E445 WeakPolarHBondContact CG2-OE1 3.09Å; T369-E445 PolarHBondContact N-OE1 3.31Å; T369-E445 PolarHBondContact OG1-OE1 2.86Å; E445-N447 PolarHBondContact O-N 3.49Å; E445-L450 HydrophobicContact CG-CD2 3.93Å; E445-L451 HydrophobicContact CG-CD2 3.95Å; E445-L451 WeakPolarHBondContact O-CD2 3.2Å; E445-L451 VanDerWaalsContact O-CG 3.28Å; E445-L451 WeakPolarHBondContact O-CG 3.48Å
446N93.8Very high93.2Very high133 Ų13364.4 Ų64.471%0.71134%0.34SS*.  trans-76.819-164.1-66.2-24.1000115.4N444N444-N446 WeakPolarHBondContact OD1-CB 3.24Å; N444-N446 PolarHBondContact OD1-N 2.71Å
447N95Very high93.3Very high59 Ų5959.5 Ų59.532%0.31632%0.321SS..  trans-89.2123.3178-164.5-26.5000111.2W106 E445 T449 L450 L451W106-N447 VanDerWaalsContact CD1-ND2 3.25Å; E445-N447 PolarHBondContact O-N 3.49Å; N447-T449 VanDerWaalsContact CG-OG1 3.26Å; N447-T449 PolarHBondContact ND2-OG1 3.43Å; N447-T449 PolarHBondContact O-N 3.03Å; N447-T449 PolarHBondContact OD1-N 3.42Å; N447-T449 VanDerWaalsContact OD1-N 3.12Å; N447-T449 PolarHBondContact OD1-OG1 2.87Å; N447-L450 HydrophobicContact CB-CB 4.3Å; N447-L450 WeakPolarHBondContact O-CB 3.3Å; N447-L450 PolarHBondContact O-N 3.01Å; N447-L451 WeakPolarHBondContact O-CG 3.38Å; N447-L451 PolarHBondContact O-N 2.84Å
448P95.6Very high93.5Very high75 Ų7558.2 Ų58.249%0.48732%0.318SS..Hα-helixtrans-57.4-33.1176.822.7-35.1000113.7L450 L451 N452P448-L450 PolarHBondContact O-N 3.18Å; P448-L451 PolarHBondContact O-N 2.9Å; P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 3.17Å; P448-N452 PolarHBondContact O-ND2 2.92Å
449T94.9Very high93.7Very high25 Ų2557.2 Ų57.215%0.15332%0.315CS..Hα-helixtrans-69.1-18.2177.654.50000113.1W106 N447 P453W106-T449 WeakPolarHBondContact CB-OG1 3.37Å; N447-T449 VanDerWaalsContact CG-OG1 3.26Å; N447-T449 PolarHBondContact ND2-OG1 3.43Å; N447-T449 PolarHBondContact O-N 3.03Å; N447-T449 PolarHBondContact OD1-N 3.42Å; N447-T449 VanDerWaalsContact OD1-N 3.12Å; N447-T449 PolarHBondContact OD1-OG1 2.87Å; T449-P453 WeakPolarHBondContact O-CD 3.4Å; T449-P453 WeakPolarHBondContact O-CG 3.2Å
450L95.8Very high94Very high0 Ų050.7 Ų50.70%028%0.277CS..Hα-helixtrans-89.6-49.5170171.264.3000111.5F103 W106 E445 N447 P448 P453 I454F103-L450 HydrophobicContact CD2-CD1 3.79Å; 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 4.45Å; W106-L450 HydrophobicContact CE3-CB 4.46Å; W106-L450 HydrophobicContact CE3-CD1 3.93Å; W106-L450 HydrophobicContact CG-CB 4.21Å; W106-L450 HydrophobicContact CH2-CD1 4.38Å; W106-L450 HydrophobicContact CH2-CD2 4.05Å; W106-L450 HydrophobicContact CZ2-CD2 3.93Å; W106-L450 HydrophobicContact CZ3-CD1 3.94Å; W106-L450 HydrophobicContact CZ3-CD2 4.4Å; E445-L450 HydrophobicContact CG-CD2 3.93Å; N447-L450 HydrophobicContact CB-CB 4.3Å; N447-L450 WeakPolarHBondContact O-CB 3.3Å; N447-L450 PolarHBondContact O-N 3.01Å; P448-L450 PolarHBondContact O-N 3.18Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.38Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.45Å; L450-I454 HydrophobicContact CD1-CD1 3.71Å; L450-I454 HydrophobicContact CG-CD1 4.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.45Å
451L95.9Very high94.5Very high32 Ų3243.6 Ų43.617%0.16824%0.24CC..Hα-helixtrans-68-42.4-172.9-61.8172.1000112.4L368 E445 N447 P448 I454 K455L368-L451 HydrophobicContact CB-CD2 4.21Å; L368-L451 HydrophobicContact CD2-CB 3.98Å; L368-L451 HydrophobicContact CD2-CD2 3.29Å; L368-L451 HydrophobicContact CD2-CG 4.21Å; L368-L451 HydrophobicContact CG-CD2 4.34Å; E445-L451 HydrophobicContact CG-CD2 3.95Å; E445-L451 WeakPolarHBondContact O-CD2 3.2Å; E445-L451 VanDerWaalsContact O-CG 3.28Å; E445-L451 WeakPolarHBondContact O-CG 3.48Å; N447-L451 WeakPolarHBondContact O-CG 3.38Å; N447-L451 PolarHBondContact O-N 2.84Å; P448-L451 PolarHBondContact O-N 2.9Å; L451-I454 PolarHBondContact O-N 3.08Å; L451-K455 WeakPolarHBondContact O-CB 3.24Å; L451-K455 WeakPolarHBondContact O-CG 3.32Å; L451-K455 PolarHBondContact O-N 3.1Å
452N96.8Very high95.1Very high64 Ų6445.6 Ų45.634%0.34225%0.249SC..Hα-helixtrans-62-49.5-176.3-68.3-19.3000113.8P448 I454 K455 R456P448-N452 WeakPolarHBondContact O-CB 3.41Å; P448-N452 PolarHBondContact O-N 3.17Å; P448-N452 PolarHBondContact O-ND2 2.92Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.31Å; N452-K455 PolarHBondContact O-N 2.92Å; N452-R456 WeakPolarHBondContact O-CG 3.31Å; N452-R456 PolarHBondContact O-N 2.79Å
453P97.1Very high95.6Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-63.8-37.6178.424.3-34.1000112.4S99 E102 F103 M341 T449 L450 R456 L457S99-P453 WeakPolarHBondContact O-CB 3.36Å; E102-P453 HydrophobicContact CB-CB 4.46Å; E102-P453 HydrophobicContact CB-CG 4.42Å; E102-P453 HydrophobicContact CG-CG 4.33Å; F103-P453 HydrophobicContact CB-CG 4.12Å; M341-P453 HydrophobicContact CE-CB 4.1Å; M341-P453 HydrophobicContact SD-CB 4.16Å; T449-P453 WeakPolarHBondContact O-CD 3.4Å; T449-P453 WeakPolarHBondContact O-CG 3.2Å; L450-P453 VanDerWaalsContact O-CD 3.29Å; L450-P453 WeakPolarHBondContact O-CD 3.38Å; L450-P453 VanDerWaalsContact O-CG 3.29Å; L450-P453 WeakPolarHBondContact O-CG 3.45Å; P453-R456 PolarHBondContact O-N 2.94Å; P453-L457 PolarHBondContact O-N 3.48Å
454I96.9Very high95.6Very high0 Ų043.2 Ų43.20%023%0.233CC..Hα-helixtrans-63.2-47175.4-66.2174.5000110.6M341 L368 T369 S372 L450 L451 N452 R456 L457 A458M341-I454 HydrophobicContact CB-CG1 4.38Å; M341-I454 HydrophobicContact CE-CG1 3.94Å; L368-I454 HydrophobicContact CD2-CG2 4.36Å; L368-I454 HydrophobicContact CG-CG2 4.48Å; T369-I454 HydrophobicContact CG2-CD1 3.75Å; S372-I454 VanDerWaalsContact CB-CG2 3.45Å; S372-I454 WeakPolarHBondContact OG-CG2 3.4Å; L450-I454 HydrophobicContact CD1-CD1 3.71Å; L450-I454 HydrophobicContact CG-CD1 4.25Å; L450-I454 WeakPolarHBondContact O-CG1 3.45Å; L451-I454 PolarHBondContact O-N 3.08Å; N452-I454 VanDerWaalsContact C-N 3.32Å; N452-I454 PolarHBondContact O-N 3.31Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 3.5Å; I454-L457 PolarHBondContact O-N 2.79Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.3Å; I454-A458 PolarHBondContact O-N 3.1Å
455K96.9Very high95.6Very high110 Ų11038.9 Ų38.948%0.47821%0.209SC..Hα-helixtrans-59.6-41.8176.6-74.6176.1-174.8178.10112.4L368 L451 N452 A458 A459L368-K455 HydrophobicContact CD1-CG 4.17Å; L368-K455 HydrophobicContact CD2-CG 4.03Å; L451-K455 WeakPolarHBondContact O-CB 3.24Å; L451-K455 WeakPolarHBondContact O-CG 3.32Å; L451-K455 PolarHBondContact O-N 3.1Å; N452-K455 PolarHBondContact O-N 2.92Å; K455-A458 PolarHBondContact O-N 2.96Å; K455-A459 PolarHBondContact O-N 3.48Å
456R97.1Very high95.6Very high41 Ų4142.7 Ų42.716%0.15523%0.226CC..Hα-helixtrans-64.1-45.5177.8-73.3-167.8-54.1-96.24.1112.2F95 W98 E102 N452 P453 I454 A459 G460F95-R456 HydrophobicContact CZ-CB 3.95Å; W98-R456 VanDerWaalsContact CH2-CD 3.43Å; W98-R456 VanDerWaalsContact CZ3-CD 3.49Å; E102-R456 IonicContact OE2-CZ 3.11Å; E102-R456 IonicContact OE2-NH1 2.71Å; E102-R456 PolarHBondContact OE2-NH1 2.92Å; E102-R456 IonicContact OE2-NH2 3.71Å; E102-R456 PolarHBondContact OE2-NH2 3.33Å; N452-R456 WeakPolarHBondContact O-CG 3.31Å; N452-R456 PolarHBondContact O-N 2.79Å; P453-R456 PolarHBondContact O-N 2.94Å; I454-R456 VanDerWaalsContact C-N 3.33Å; I454-R456 PolarHBondContact O-N 3.5Å; R456-A459 PolarHBondContact O-N 3.12Å; R456-G460 PolarHBondContact O-N 3.37Å
457L96.8Very high95.6Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-70.4-33176.7-68.8-174.3000112.6F95 V96 S99 F334 A337 M338 M341 P453 I454 G460 S461F95-L457 HydrophobicContact CD1-CD2 4.04Å; F95-L457 HydrophobicContact CE1-CD2 3.85Å; V96-L457 HydrophobicContact CG2-CD2 4.23Å; S99-L457 WeakPolarHBondContact OG-CD1 3.33Å; S99-L457 WeakPolarHBondContact OG-CG 3.49Å; F334-L457 HydrophobicContact CD1-CD2 4.27Å; A337-L457 HydrophobicContact CB-CD1 3.64Å; M338-L457 HydrophobicContact CB-CB 4.02Å; M338-L457 HydrophobicContact CB-CD1 4.38Å; M338-L457 HydrophobicContact CG-CB 4.38Å; M341-L457 HydrophobicContact CE-CB 4.32Å; M341-L457 HydrophobicContact CE-CD1 3.13Å; M341-L457 HydrophobicContact CE-CG 3.9Å; M341-L457 HydrophobicContact SD-CD1 3.92Å; P453-L457 PolarHBondContact O-N 3.48Å; I454-L457 PolarHBondContact O-N 2.79Å; L457-G460 CarbonylContact O-C 3.59Å; L457-G460 PolarHBondContact O-N 3.34Å; L457-S461 WeakPolarHBondContact O-CB 3.18Å; L457-S461 PolarHBondContact O-N 3.39Å; L457-S461 PolarHBondContact O-OG 2.9Å
458A96.7Very high95.5Very high14 Ų1439 Ų3912%0.11621%0.206CC..Hα-helixtrans-59.7-49.8172.100000110.8M338 I454 K455 G460 S461 L462M338-A458 WeakPolarHBondContact SD-CA 3.3Å; M338-A458 HydrophobicContact SD-CB 3.84Å; I454-A458 VanDerWaalsContact O-CB 3.29Å; I454-A458 WeakPolarHBondContact O-CB 3.3Å; I454-A458 PolarHBondContact O-N 3.1Å; K455-A458 PolarHBondContact O-N 2.96Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 2.93Å; A458-S461 WeakPolarHBondContact CA-OG 3.5Å; A458-S461 CarbonylContact O-C 3.55Å; A458-S461 PolarHBondContact O-N 3.42Å; A458-S461 VanDerWaalsContact O-N 3.11Å; A458-S461 PolarHBondContact O-OG 3.43Å; A458-L462 WeakPolarHBondContact O-CG 3.46Å; A458-L462 PolarHBondContact O-N 2.95Å
459A96.6Very high95.2Very high45 Ų4537.1 Ų37.137%0.37219%0.193SC..Hα-helixtrans-57.7-42.417400000112K455 R456 L462 F463K455-A459 PolarHBondContact O-N 3.48Å; R456-A459 PolarHBondContact O-N 3.12Å; A459-L462 PolarHBondContact O-N 2.9Å; A459-F463 WeakPolarHBondContact O-CD2 3.5Å; A459-F463 PolarHBondContact O-N 3.44Å
460G95.3Very high95Very high7 Ų740.5 Ų40.57%0.07221%0.21CC..Hα-helixtrans-60-44.6173.100000113T387 R456 L457 A458 L462 F463 A464T387-G460 VanDerWaalsContact CG2-O 3.23Å; T387-G460 WeakPolarHBondContact CG2-O 3.36Å; R456-G460 PolarHBondContact O-N 3.37Å; L457-G460 CarbonylContact O-C 3.59Å; L457-G460 PolarHBondContact O-N 3.34Å; A458-G460 VanDerWaalsContact C-N 3.3Å; A458-G460 PolarHBondContact O-N 2.93Å; G460-L462 PolarHBondContact O-N 3.22Å; G460-F463 PolarHBondContact O-N 3.13Å; G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 3.35Å
461S95.4Very high94.6Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-72.1-9.4178.169.80000115.1M338 T387 L457 A458M338-S461 WeakPolarHBondContact CE-OG 3.28Å; T387-S461 VanDerWaalsContact CG2-O 3.31Å; T387-S461 WeakPolarHBondContact CG2-O 3.32Å; T387-S461 PolarHBondContact N-O 3.06Å; T387-S461 PolarHBondContact OG1-O 3.12Å; L457-S461 WeakPolarHBondContact O-CB 3.18Å; L457-S461 PolarHBondContact O-N 3.39Å; L457-S461 PolarHBondContact O-OG 2.9Å; A458-S461 WeakPolarHBondContact CA-OG 3.5Å; A458-S461 CarbonylContact O-C 3.55Å; A458-S461 PolarHBondContact O-N 3.42Å; A458-S461 VanDerWaalsContact O-N 3.11Å; A458-S461 PolarHBondContact O-OG 3.43Å
462L95.9Very high94.1Very high62 Ų6244.5 Ų44.533%0.32523%0.231SC..Hα-helixtrans-92.6-52.1168.5-67.4169.1000111.1I375 L386 A458 A459 G460I375-L462 HydrophobicContact CG2-CD2 4.07Å; I375-L462 HydrophobicContact CG2-CG 4.35Å; L386-L462 HydrophobicContact CD2-CD2 3.46Å; L386-L462 VanDerWaalsContact CD2-CD2 3.46Å; A458-L462 WeakPolarHBondContact O-CG 3.46Å; A458-L462 PolarHBondContact O-N 2.95Å; A459-L462 PolarHBondContact O-N 2.9Å; G460-L462 PolarHBondContact O-N 3.22Å
463F95.6Very high93.2Very high127 Ų12743.1 Ų43.156%0.55723%0.227SC*.Hα-helixtrans-105.1-27-165-62-68.6000115.3A459 G460 G465 F466 L467A459-F463 WeakPolarHBondContact O-CD2 3.5Å; A459-F463 PolarHBondContact O-N 3.44Å; G460-F463 PolarHBondContact O-N 3.13Å; F463-G465 VanDerWaalsContact C-N 3.34Å; F463-G465 PolarHBondContact O-N 3.06Å; F463-F466 PolarHBondContact O-N 2.86Å; F463-L467 HydrophobicContact CB-CD1 4.36Å; F463-L467 WeakPolarHBondContact O-CG 3.26Å; F463-L467 PolarHBondContact O-N 3.42Å
464A93.8Very high92Very high12 Ų1248.3 Ų48.310%0.09926%0.26CS..Hα-helixtrans-63.3-39.4-168.400000112.8F334 T387 G460 L467 I468F334-A464 HydrophobicContact CD2-CB 3.97Å; F334-A464 HydrophobicContact CE1-CB 4.22Å; F334-A464 HydrophobicContact CE2-CB 3.58Å; F334-A464 HydrophobicContact CG-CB 4.46Å; F334-A464 HydrophobicContact CZ-CB 3.72Å; T387-A464 HydrophobicContact CG2-CB 4.42Å; G460-A464 WeakPolarHBondContact O-CB 3.46Å; G460-A464 PolarHBondContact O-N 3.35Å; A464-L467 PolarHBondContact O-N 3.5Å; A464-I468 HydrophobicContact CB-CD1 4.34Å; A464-I468 WeakPolarHBondContact O-CB 3.3Å; A464-I468 WeakPolarHBondContact O-CD1 3.46Å; A464-I468 WeakPolarHBondContact O-CG1 3.49Å; A464-I468 PolarHBondContact O-N 3.39Å
465G92.6Very high90.8Very high0 Ų051.2 Ų51.20%028%0.284CS..Hα-helixtrans-60.6-46.5177.700000112.3F463 I468 T469F463-G465 VanDerWaalsContact C-N 3.34Å; F463-G465 PolarHBondContact O-N 3.06Å; G465-I468 PolarHBondContact O-N 2.81Å; G465-T469 WeakPolarHBondContact O-CG2 3.28Å; G465-T469 PolarHBondContact O-N 3.48Å; G465-T469 PolarHBondContact O-OG1 3.26Å
466F93.9Very high89.5Confident91 Ų9146.9 Ų46.940%0.39927%0.268SS..Hα-helixtrans-62.2-45.7175.1174.3-106.3000112.2Y390 F463 T469 N470Y390-F466 HydrophobicContact CE1-CB 4.38Å; Y390-F466 HydrophobicContact CE1-CD2 4.07Å; Y390-F466 HydrophobicContact CE2-CB 3.75Å; Y390-F466 AromaticContact CZ-CD2 3.75Å; Y390-F466 WeakPolarHBondContact OH-CD2 3.3Å; F463-F466 PolarHBondContact O-N 2.86Å; F466-T469 PolarHBondContact O-OG1 2.87Å; F466-N470 WeakPolarHBondContact CD2-ND2 3.43Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.42Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.47Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.4Å; F466-N470 WeakPolarHBondContact O-CB 3.28Å; F466-N470 PolarHBondContact O-N 3.26Å; F466-N470 PolarHBondContact O-ND2 2.81Å
467L93.6Very high88.3Confident93 Ų9350.7 Ų50.749%0.48730%0.298SS..Hα-helixtrans-63.8-42.5178.3-70.3172.9000111.6F463 A464 N471F463-L467 HydrophobicContact CB-CD1 4.36Å; F463-L467 WeakPolarHBondContact O-CG 3.26Å; F463-L467 PolarHBondContact O-N 3.42Å; A464-L467 PolarHBondContact O-N 3.5Å; L467-N471 WeakPolarHBondContact O-CB 3.49Å; L467-N471 PolarHBondContact O-N 3.12Å; L467-N471 PolarHBondContact O-ND2 2.98Å
468I92.3Very high87Confident22 Ų2255.9 Ų55.911%0.11332%0.32CS..Hα-helixtrans-65.5-53.2179.3-70.9165.5000109.2L327 C330 F334 A464 G465 N470 N471 I472L327-I468 HydrophobicContact CD1-CG2 4.46Å; L327-I468 HydrophobicContact CG-CG2 4.41Å; C330-I468 HydrophobicContact CB-CD1 4.2Å; F334-I468 HydrophobicContact CE2-CD1 4.38Å; A464-I468 HydrophobicContact CB-CD1 4.34Å; A464-I468 WeakPolarHBondContact O-CB 3.3Å; A464-I468 WeakPolarHBondContact O-CD1 3.46Å; A464-I468 WeakPolarHBondContact O-CG1 3.49Å; A464-I468 PolarHBondContact O-N 3.39Å; G465-I468 PolarHBondContact O-N 2.81Å; I468-N470 VanDerWaalsContact C-N 3.3Å; I468-N470 PolarHBondContact O-N 2.98Å; I468-N471 PolarHBondContact O-N 3.19Å; I468-I472 HydrophobicContact CB-CD1 4.48Å; I468-I472 HydrophobicContact CG2-CD1 3.28Å; I468-I472 HydrophobicContact CG2-CG1 4.05Å; I468-I472 VanDerWaalsContact O-CD1 3.28Å; I468-I472 WeakPolarHBondContact O-CD1 3.47Å; I468-I472 WeakPolarHBondContact O-CG1 3.21Å; I468-I472 PolarHBondContact O-N 3.01Å; I468-I472 VanDerWaalsContact O-N 3.09Å
469T90.3Very high86Confident34 Ų3459.5 Ų59.521%0.20934%0.335CS..Hα-helixtrans-57.6-39.2-178.446.30000114.1L327 Y390 G465 F466 N471L327-T469 HydrophobicContact CD1-CG2 3.66Å; L327-T469 HydrophobicContact CD2-CG2 4.28Å; Y390-T469 HydrophobicContact CD1-CG2 3.91Å; Y390-T469 HydrophobicContact CG-CG2 4.07Å; G465-T469 WeakPolarHBondContact O-CG2 3.28Å; G465-T469 PolarHBondContact O-N 3.48Å; G465-T469 PolarHBondContact O-OG1 3.26Å; F466-T469 PolarHBondContact O-OG1 2.87Å; T469-N471 VanDerWaalsContact C-N 3.35Å
470N89.6Confident85.1Confident96 Ų9663.4 Ų63.451%0.51335%0.354SS..Hα-helixtrans-76.1-26.4-176.1-66.5-8.3000113.1F466 I468F466-N470 WeakPolarHBondContact CD2-ND2 3.43Å; F466-N470 WeakPolarHBondContact CE1-ND2 3.42Å; F466-N470 WeakPolarHBondContact CE2-ND2 3.47Å; F466-N470 WeakPolarHBondContact CZ-ND2 3.4Å; F466-N470 WeakPolarHBondContact O-CB 3.28Å; F466-N470 PolarHBondContact O-N 3.26Å; F466-N470 PolarHBondContact O-ND2 2.81Å; I468-N470 VanDerWaalsContact C-N 3.3Å; I468-N470 PolarHBondContact O-N 2.98Å
471N88.3Confident84.7Confident88 Ų8868.6 Ų68.647%0.47139%0.385SS..Hα-helixtrans-94.2-16.3-176.7-65.3-24.7000112.7M55 L467 I468 T469M55-N471 HydrophobicContact CE-CB 3.7Å; M55-N471 HydrophobicContact SD-CB 3.7Å; L467-N471 WeakPolarHBondContact O-CB 3.49Å; L467-N471 PolarHBondContact O-N 3.12Å; L467-N471 PolarHBondContact O-ND2 2.98Å; I468-N471 PolarHBondContact O-N 3.19Å; T469-N471 VanDerWaalsContact C-N 3.35Å
472I84.6Confident84.5Confident28 Ų2870 Ų7014%0.14439%0.393CS..SBendtrans-71.5131.2178.2-69.2160.5000110.3Y84 M88 L327 I468Y84-I472 HydrophobicContact CE2-CB 4.27Å; Y84-I472 HydrophobicContact CE2-CD1 4.47Å; Y84-I472 HydrophobicContact CE2-CG1 3.84Å; Y84-I472 HydrophobicContact CE2-CG2 3.61Å; Y84-I472 WeakPolarHBondContact OH-CD1 3.49Å; Y84-I472 WeakPolarHBondContact OH-CG1 3.29Å; M88-I472 HydrophobicContact CE-CG1 3.66Å; L327-I472 HydrophobicContact CD1-CD1 3.55Å; L327-I472 HydrophobicContact CG-CD1 4.35Å; I468-I472 HydrophobicContact CB-CD1 4.48Å; I468-I472 HydrophobicContact CG2-CD1 3.28Å; I468-I472 HydrophobicContact CG2-CG1 4.05Å; I468-I472 VanDerWaalsContact O-CD1 3.28Å; I468-I472 WeakPolarHBondContact O-CD1 3.47Å; I468-I472 WeakPolarHBondContact O-CG1 3.21Å; I468-I472 PolarHBondContact O-N 3.01Å; I468-I472 VanDerWaalsContact O-N 3.09Å
473S77.8Confident84.4Confident36 Ų3670.4 Ų70.425%0.25240%0.4SS..  trans-60.5128.4165.861.30000110.4A475S473-A475 PolarHBondContact O-N 2.91Å
474P72.7Confident84.2Confident109 Ų10970.4 Ų70.471%0.70841%0.405SS*.  trans-65.7102.3-179.626.3-33.1000110.6
475A70.9Confident84.2Confident60 Ų6075.1 Ų75.150%0.49644%0.436SS..  trans-85.7-29.9-177.300000113.4S473S473-A475 PolarHBondContact O-N 2.91Å
476S69.7Low84.2Confident19 Ų1977.9 Ų77.913%0.13345%0.45CS..SBendtrans-122.2144.4173.158.70000110.7Q321 F478Q321-S476 PolarHBondContact OE1-OG 3.12Å; S476-F478 PolarHBondContact O-N 3.16Å; S476-F478 VanDerWaalsContact O-N 3.14Å
477P71.1Confident84.1Confident121 Ų12176.6 Ų76.679%0.78645%0.445SS*.  trans-65.3117177.426.8-33000109.3Q479P477-Q479 PolarHBondContact O-N 2.97Å
478F70.8Confident84.1Confident109 Ų10976.4 Ų76.448%0.47844%0.444SS..  trans-69.2130.4170.9-64.7-64.8000109.6L324 S476 T480L324-F478 HydrophobicContact CD2-CE1 4.1Å; S476-F478 PolarHBondContact O-N 3.16Å; S476-F478 VanDerWaalsContact O-N 3.14Å; F478-T480 PolarHBondContact O-N 3.28Å
479Q75.9Confident84.2Confident90 Ų9076.7 Ų76.742%0.42145%0.446SS..  trans-74.2108171.7-69175.7-22.400108.5P477P477-Q479 PolarHBondContact O-N 2.97Å
480T77.4Confident84.4Confident127 Ų12775.4 Ų75.478%0.77944%0.439SS*.  trans-91.1-15-176.452.50000113.7F478F478-T480 PolarHBondContact O-N 3.28Å
481T87.5Confident84.6Confident117 Ų11774.7 Ų74.772%0.71844%0.435SS*.  trans-101.195.3-179.1560000110.8
482V90.1Very high85Confident29 Ų2973.1 Ų73.118%0.17643%0.434CS..  trans-126.8134.3-180-176.60000109.1E397 M401 L486 K487E397-V482 HydrophobicContact CG-CG2 3.95Å; E397-V482 WeakPolarHBondContact OE1-CG2 3.08Å; M401-V482 HydrophobicContact CG-CG1 4.23Å; M401-V482 HydrophobicContact CG-CG2 3.97Å; M401-V482 HydrophobicContact SD-CG1 4Å; M401-V482 HydrophobicContact SD-CG2 4.32Å; V482-L486 HydrophobicContact CG1-CB 3.71Å; V482-K487 HydrophobicContact CG1-CB 4.09Å
483P93.2Very high85.5Confident70 Ų7073.3 Ų73.346%0.45544%0.437SS..  trans-65.3144.7175.527.9-33.7000110.2C485 L486 K487P483-C485 PolarHBondContact O-N 2.69Å; P483-C485 VanDerWaalsContact O-N 3.09Å; P483-L486 HydrophobicContact CG-CB 3.93Å; P483-L486 HydrophobicContact CG-CD1 3.57Å; P483-L486 HydrophobicContact CG-CG 3.77Å; P483-L486 PolarHBondContact O-N 3.37Å; P483-K487 PolarHBondContact O-N 3.35Å
484L92.6Very high86.3Confident128 Ų12872.6 Ų72.667%0.6743%0.431SS*.Hα-helixtrans-51.8-41-173.1-175.468.3000113L486 K487 L488L484-L486 VanDerWaalsContact C-N 3.34Å; L484-L486 PolarHBondContact O-N 3.01Å; L484-K487 PolarHBondContact O-N 2.64Å; L484-L488 HydrophobicContact CD1-CD1 3.9Å; L484-L488 HydrophobicContact CD1-CG 4.23Å; L484-L488 HydrophobicContact CG-CD1 4Å; L484-L488 PolarHBondContact O-N 2.88Å
485C93.6Very high87.4Confident111 Ų11173 Ų7375%0.7542%0.422SS*.Hα-helixtrans-58.4-45.2177.5-62.90000112P483 T489P483-C485 PolarHBondContact O-N 2.69Å; P483-C485 VanDerWaalsContact O-N 3.09Å; C485-T489 WeakPolarHBondContact O-CG2 3.08Å; C485-T489 PolarHBondContact O-N 2.85Å
486L91.8Very high88.6Confident58 Ų5875 Ų7530%0.30442%0.423SS..Hα-helixtrans-71.4-38.1179.1-68.6-178.4000111.6N400 M401 V482 P483 L484 L488 T489N400-L486 HydrophobicContact CB-CD2 4.36Å; M401-L486 HydrophobicContact SD-CD1 3.65Å; V482-L486 HydrophobicContact CG1-CB 3.71Å; P483-L486 HydrophobicContact CG-CB 3.93Å; P483-L486 HydrophobicContact CG-CD1 3.57Å; P483-L486 HydrophobicContact CG-CG 3.77Å; P483-L486 PolarHBondContact O-N 3.37Å; L484-L486 VanDerWaalsContact C-N 3.34Å; L484-L486 PolarHBondContact O-N 3.01Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 2.79Å; L486-T489 HydrophobicContact CD2-CG2 4.29Å; L486-T489 WeakPolarHBondContact O-CB 3.35Å; L486-T489 WeakPolarHBondContact O-CG2 3.39Å; L486-T489 PolarHBondContact O-N 3.48Å; L486-T489 PolarHBondContact O-OG1 3.43Å
487K92.8Very high89.8Confident64 Ų6474 Ų7428%0.27842%0.417SS..Hα-helixtrans-63.3-38178.7-17554.1174.7166.60112.5D393 E397 V482 P483 L484 T489D393-K487 IonicContact OD2-NZ 2.93Å; D393-K487 PolarHBondContact OD2-NZ 2.76Å; E397-K487 VanDerWaalsContact OE1-CD 3.28Å; E397-K487 WeakPolarHBondContact OE1-CD 3.2Å; E397-K487 WeakPolarHBondContact OE1-CE 3.34Å; E397-K487 IonicContact OE1-NZ 3.18Å; E397-K487 PolarHBondContact OE1-NZ 3.04Å; E397-K487 VanDerWaalsContact OE1-NZ 3.12Å; E397-K487 IonicContact OE2-NZ 2.78Å; E397-K487 PolarHBondContact OE2-NZ 3.43Å; V482-K487 HydrophobicContact CG1-CB 4.09Å; P483-K487 PolarHBondContact O-N 3.35Å; L484-K487 PolarHBondContact O-N 2.64Å; K487-T489 VanDerWaalsContact C-N 3.33Å
488L94Very high90.9Very high89 Ų8971 Ų7147%0.46639%0.393SS..THydrogen-bonded Turntrans-85.40.5179.8-65176.5000114.1L484 L486 A490 L491 A492L484-L488 HydrophobicContact CD1-CD1 3.9Å; L484-L488 HydrophobicContact CD1-CG 4.23Å; L484-L488 HydrophobicContact CG-CD1 4Å; L484-L488 PolarHBondContact O-N 2.88Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 2.79Å; L488-A490 PolarHBondContact O-N 2.92Å; L488-L491 PolarHBondContact O-N 2.83Å; L488-A492 VanDerWaalsContact O-CB 3.32Å; L488-A492 WeakPolarHBondContact O-CB 3.16Å; L488-A492 PolarHBondContact O-N 3.21Å
489T94.3Very high92.1Very high27 Ų2769.3 Ų69.317%0.16639%0.389CS..Hα-helixtrans-56.9-50.8-176.7500000113.1N400 C485 L486 K487 L491 A492 V493N400-T489 PolarHBondContact ND2-OG1 2.93Å; C485-T489 WeakPolarHBondContact O-CG2 3.08Å; C485-T489 PolarHBondContact O-N 2.85Å; L486-T489 HydrophobicContact CD2-CG2 4.29Å; L486-T489 WeakPolarHBondContact O-CB 3.35Å; L486-T489 WeakPolarHBondContact O-CG2 3.39Å; L486-T489 PolarHBondContact O-N 3.48Å; L486-T489 PolarHBondContact O-OG1 3.43Å; K487-T489 VanDerWaalsContact C-N 3.33Å; T489-L491 VanDerWaalsContact C-N 3.31Å; T489-L491 PolarHBondContact O-N 3.3Å; T489-A492 PolarHBondContact O-N 3.38Å; T489-V493 WeakPolarHBondContact O-CB 3.36Å; T489-V493 WeakPolarHBondContact O-CG2 3.44Å; T489-V493 PolarHBondContact O-N 3.07Å
490A93.4Very high93Very high7 Ų767.9 Ų67.96%0.05839%0.387CS..Hα-helixtrans-58.8-44.5-177.300000111.7D393 I396 L488 T494D393-A490 WeakPolarHBondContact OD1-CB 3.28Å; I396-A490 HydrophobicContact CB-CB 4.13Å; I396-A490 HydrophobicContact CD1-CB 3.56Å; I396-A490 HydrophobicContact CG1-CB 4.46Å; I396-A490 HydrophobicContact CG2-CB 4.03Å; L488-A490 PolarHBondContact O-N 2.92Å; A490-T494 WeakPolarHBondContact O-CB 3.24Å; A490-T494 VanDerWaalsContact O-CG2 3.23Å; A490-T494 WeakPolarHBondContact O-CG2 3.38Å; A490-T494 PolarHBondContact O-N 2.88Å; A490-T494 PolarHBondContact O-OG1 3.43Å
491L94.6Very high93.8Very high81 Ų8162.1 Ų62.142%0.42435%0.352SS..Hα-helixtrans-69.6-40.4179-167.1135000112P384 L488 T489 T494 F495P384-L491 HydrophobicContact CG-CD1 4.26Å; L488-L491 PolarHBondContact O-N 2.83Å; T489-L491 VanDerWaalsContact C-N 3.31Å; T489-L491 PolarHBondContact O-N 3.3Å; L491-T494 WeakPolarHBondContact CA-OG1 3.4Å; L491-T494 PolarHBondContact O-OG1 3.07Å; L491-F495 WeakPolarHBondContact O-CB 3.47Å; L491-F495 PolarHBondContact O-N 3.36Å
492A95.4Very high94.1Very high56 Ų5659.9 Ų59.946%0.46334%0.335SS..Hα-helixtrans-63.5-43.8176.700000112.1L488 T489 F495 L496L488-A492 VanDerWaalsContact O-CB 3.32Å; L488-A492 WeakPolarHBondContact O-CB 3.16Å; L488-A492 PolarHBondContact O-N 3.21Å; T489-A492 PolarHBondContact O-N 3.38Å; A492-F495 PolarHBondContact O-N 2.83Å; A492-L496 WeakPolarHBondContact O-CB 3.4Å; A492-L496 PolarHBondContact O-N 3.31Å
493V95.9Very high94.3Very high32 Ų3263.5 Ų63.519%0.19435%0.354CS..Hα-helixtrans-69.4-38.6-178.4173.80000111.6L413 T416 S417 T489 L496 G497L413-V493 WeakPolarHBondContact O-CG1 3.31Å; T416-V493 VanDerWaalsContact OG1-CG1 3.24Å; T416-V493 WeakPolarHBondContact OG1-CG1 3.46Å; S417-V493 VanDerWaalsContact CB-O 3.31Å; S417-V493 WeakPolarHBondContact CB-O 3.49Å; T489-V493 WeakPolarHBondContact O-CB 3.36Å; T489-V493 WeakPolarHBondContact O-CG2 3.44Å; T489-V493 PolarHBondContact O-N 3.07Å; V493-L496 PolarHBondContact O-N 3.01Å; V493-G497 PolarHBondContact O-N 3.2Å
494T95Very high94.2Very high21 Ų2165.5 Ų65.513%0.12936%0.36CS..Hα-helixtrans-68.3-39.2174.551.10000112.2A381 S420 A490 L491 G497 L498A381-T494 WeakPolarHBondContact O-CG2 3.44Å; S420-T494 VanDerWaalsContact CB-O 3.31Å; S420-T494 WeakPolarHBondContact CB-O 3.49Å; S420-T494 PolarHBondContact OG-O 3.2Å; S420-T494 VanDerWaalsContact OG-O 3.08Å; A490-T494 WeakPolarHBondContact O-CB 3.24Å; A490-T494 VanDerWaalsContact O-CG2 3.23Å; A490-T494 WeakPolarHBondContact O-CG2 3.38Å; A490-T494 PolarHBondContact O-N 2.88Å; A490-T494 PolarHBondContact O-OG1 3.43Å; L491-T494 WeakPolarHBondContact CA-OG1 3.4Å; L491-T494 PolarHBondContact O-OG1 3.07Å; T494-G497 PolarHBondContact O-N 3.33Å; T494-L498 PolarHBondContact O-N 2.64Å
495F95.3Very high94Very high118 Ų11860.6 Ų60.652%0.51833%0.334SS..Hα-helixtrans-64.4-42.4174.5-171.5-110000112L491 A492 G497 L498 L499L491-F495 WeakPolarHBondContact O-CB 3.47Å; L491-F495 PolarHBondContact O-N 3.36Å; A492-F495 PolarHBondContact O-N 2.83Å; F495-G497 VanDerWaalsContact C-N 3.34Å; F495-G497 PolarHBondContact O-N 3.47Å; F495-L498 PolarHBondContact O-N 2.99Å; F495-L499 HydrophobicContact CD1-CD1 3.76Å; F495-L499 HydrophobicContact CD1-CG 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.37Å; F495-L499 HydrophobicContact CE1-CD2 4.38Å; F495-L499 HydrophobicContact CE1-CG 3.94Å; F495-L499 HydrophobicContact CZ-CD1 3.94Å; F495-L499 HydrophobicContact CZ-CD2 4.09Å; F495-L499 HydrophobicContact CZ-CG 4.08Å; F495-L499 WeakPolarHBondContact O-CG 3.21Å; F495-L499 PolarHBondContact O-N 3.48Å
496L95.5Very high93.8Very high100 Ų10062.6 Ų62.652%0.52433%0.327SS..Hα-helixtrans-59.8-43.4174.6-174150.3000111.8A492 V493 L498 L499 T500A492-L496 WeakPolarHBondContact O-CB 3.4Å; A492-L496 PolarHBondContact O-N 3.31Å; V493-L496 PolarHBondContact O-N 3.01Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 3.26Å; L496-L499 PolarHBondContact O-N 3.3Å; L496-T500 HydrophobicContact CD2-CG2 4.07Å; L496-T500 WeakPolarHBondContact O-CB 3.49Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.37Å; L496-T500 PolarHBondContact O-N 3.42Å; L496-T500 PolarHBondContact O-OG1 2.94Å
497G95.5Very high93.7Very high0 Ų064.1 Ų64.10%034%0.335CS..Hα-helixtrans-64.1-36.3175.700000113.6S417 S420 V493 T494 F495 T500 A501S417-G497 WeakPolarHBondContact O-CA 3.22Å; S420-G497 WeakPolarHBondContact OG-CA 3.4Å; V493-G497 PolarHBondContact O-N 3.2Å; T494-G497 PolarHBondContact O-N 3.33Å; F495-G497 VanDerWaalsContact C-N 3.34Å; F495-G497 PolarHBondContact O-N 3.47Å; G497-T500 WeakPolarHBondContact CA-OG1 3.4Å; G497-T500 PolarHBondContact O-OG1 3.41Å; G497-A501 WeakPolarHBondContact O-CB 3.39Å; G497-A501 PolarHBondContact O-N 3.27Å
498L95Very high93.4Very high56 Ų5665.6 Ų65.629%0.29335%0.349SS..Hα-helixtrans-66.5-47.8174.8178.9145.8000111.9T424 T494 F495 L496 A501 L502T424-L498 HydrophobicContact CG2-CB 4.23Å; T424-L498 HydrophobicContact CG2-CD1 3.95Å; T424-L498 HydrophobicContact CG2-CG 3.85Å; T494-L498 PolarHBondContact O-N 2.64Å; F495-L498 PolarHBondContact O-N 2.99Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 3.26Å; L498-A501 PolarHBondContact O-N 2.81Å; L498-L502 HydrophobicContact CD2-CD1 3.53Å; L498-L502 HydrophobicContact CG-CD1 4.27Å; L498-L502 WeakPolarHBondContact O-CG 3.23Å; L498-L502 PolarHBondContact O-N 3.44Å
499L95.5Very high92.9Very high74 Ų7467.7 Ų67.739%0.38736%0.361SS..Hα-helixtrans-61.4-48.8178.6-72179.3000111.8F495 L496 A501 L502 D503F495-L499 HydrophobicContact CD1-CD1 3.76Å; F495-L499 HydrophobicContact CD1-CG 4.24Å; F495-L499 HydrophobicContact CE1-CD1 3.37Å; F495-L499 HydrophobicContact CE1-CD2 4.38Å; F495-L499 HydrophobicContact CE1-CG 3.94Å; F495-L499 HydrophobicContact CZ-CD1 3.94Å; F495-L499 HydrophobicContact CZ-CD2 4.09Å; F495-L499 HydrophobicContact CZ-CG 4.08Å; F495-L499 WeakPolarHBondContact O-CG 3.21Å; F495-L499 PolarHBondContact O-N 3.48Å; L496-L499 PolarHBondContact O-N 3.3Å; L499-A501 VanDerWaalsContact C-N 3.29Å; L499-A501 PolarHBondContact O-N 3.11Å; L499-L502 PolarHBondContact O-N 2.99Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L499-D503 PolarHBondContact O-N 3.22Å
500T94.4Very high92.5Very high61 Ų6170.8 Ų70.837%0.37437%0.372SS..Hα-helixtrans-59.2-40.8179.850.20000112L496 G497 D503 L504L496-T500 HydrophobicContact CD2-CG2 4.07Å; L496-T500 WeakPolarHBondContact O-CB 3.49Å; L496-T500 VanDerWaalsContact O-CG2 3.26Å; L496-T500 WeakPolarHBondContact O-CG2 3.37Å; L496-T500 PolarHBondContact O-N 3.42Å; L496-T500 PolarHBondContact O-OG1 2.94Å; G497-T500 WeakPolarHBondContact CA-OG1 3.4Å; G497-T500 PolarHBondContact O-OG1 3.41Å; T500-D503 PolarHBondContact O-N 3.03Å; T500-L504 WeakPolarHBondContact O-CB 3.38Å; T500-L504 WeakPolarHBondContact O-CG 3.43Å; T500-L504 PolarHBondContact O-N 3.42Å
501A94.4Very high91.6Very high5 Ų579.1 Ų79.14%0.04142%0.415CS..Hα-helixtrans-71.2-34.7177.500000113.7A421 T424 G497 L498 L499 N505A421-A501 HydrophobicContact CB-CB 3.94Å; A421-A501 WeakPolarHBondContact O-CB 3.49Å; T424-A501 WeakPolarHBondContact OG1-CB 3.4Å; G497-A501 WeakPolarHBondContact O-CB 3.39Å; G497-A501 PolarHBondContact O-N 3.27Å; L498-A501 PolarHBondContact O-N 2.81Å; L499-A501 VanDerWaalsContact C-N 3.29Å; L499-A501 PolarHBondContact O-N 3.11Å; A501-N505 WeakPolarHBondContact O-CB 3.38Å; A501-N505 PolarHBondContact O-N 3.4Å; A501-N505 PolarHBondContact O-ND2 3.21Å
502L93.6Very high90.9Very high70 Ų7082.9 Ų82.937%0.36643%0.428SS..Hα-helixtrans-62.9-46.8172.6-76.7168.4000111L428 L498 L499 L504 N505 Y506L428-L502 HydrophobicContact CD1-CD2 3.7Å; L428-L502 HydrophobicContact CD2-CD2 4.12Å; L428-L502 HydrophobicContact CG-CD2 4.49Å; L498-L502 HydrophobicContact CD2-CD1 3.53Å; L498-L502 HydrophobicContact CG-CD1 4.27Å; L498-L502 WeakPolarHBondContact O-CG 3.23Å; L498-L502 PolarHBondContact O-N 3.44Å; L499-L502 PolarHBondContact O-N 2.99Å; L499-L502 VanDerWaalsContact O-N 3.17Å; L502-L504 PolarHBondContact O-N 2.93Å; L502-N505 PolarHBondContact O-N 2.97Å; L502-Y506 PolarHBondContact O-N 3.31Å
503D93.9Very high90.2Very high106 Ų10689.8 Ų89.857%0.56745%0.453SS*.Hα-helixtrans-61.6-45.5177.6-76.8-11.6000111.5L499 T500 N505 Y506 L507L499-D503 PolarHBondContact O-N 3.22Å; T500-D503 PolarHBondContact O-N 3.03Å; D503-N505 VanDerWaalsContact C-N 3.34Å; D503-N505 PolarHBondContact O-N 3.09Å; D503-Y506 PolarHBondContact O-N 3.47Å; D503-L507 WeakPolarHBondContact O-CG 3.35Å; D503-L507 PolarHBondContact O-N 2.64Å
504L90.9Very high89.5Confident111 Ų11196.8 Ų96.858%0.58148%0.481SS*.Hα-helixtrans-60.1-42.5177-73.2173.5000112T500 L502 L507 T508T500-L504 WeakPolarHBondContact O-CB 3.38Å; T500-L504 WeakPolarHBondContact O-CG 3.43Å; T500-L504 PolarHBondContact O-N 3.42Å; L502-L504 PolarHBondContact O-N 2.93Å; L504-L507 WeakPolarHBondContact O-CB 2.97Å; L504-L507 PolarHBondContact O-N 2.9Å; L504-T508 PolarHBondContact O-N 3.4Å
505N89.9Confident89.1Confident25 Ų25100.6 Ų100.613%0.13451%0.509CS..Hα-helixtrans-71.5-29.1176.3-73.1-41.9000112.8L428 A501 L502 D503 L507 T508L428-N505 HydrophobicContact CD1-CB 4.1Å; L428-N505 WeakPolarHBondContact CD1-ND2 3.34Å; A501-N505 WeakPolarHBondContact O-CB 3.38Å; A501-N505 PolarHBondContact O-N 3.4Å; A501-N505 PolarHBondContact O-ND2 3.21Å; L502-N505 PolarHBondContact O-N 2.97Å; D503-N505 VanDerWaalsContact C-N 3.34Å; D503-N505 PolarHBondContact O-N 3.09Å; N505-L507 VanDerWaalsContact C-N 3.3Å; N505-T508 PolarHBondContact O-N 3.02Å; N505-T508 PolarHBondContact O-OG1 2.84Å
506Y89Confident88.7Confident153 Ų15397.9 Ų97.960%0.650%0.503SS*.Hα-helixtrans-68.1-34.8170.9-178.6-111.6000111.5L502 D503 T508 N509 K510L502-Y506 PolarHBondContact O-N 3.31Å; D503-Y506 PolarHBondContact O-N 3.47Å; Y506-T508 VanDerWaalsContact C-N 3.33Å; Y506-T508 PolarHBondContact O-N 3.41Å; Y506-N509 PolarHBondContact O-N 2.92Å; Y506-K510 VanDerWaalsContact CE1-CE 3.44Å
507L88.7Confident88.6Confident91 Ų9199 Ų9948%0.47651%0.509SS..Hα-helixtrans-67.4-30175.5-68.5175.7000113.1D503 L504 N505 N509 K510D503-L507 WeakPolarHBondContact O-CG 3.35Å; D503-L507 PolarHBondContact O-N 2.64Å; L504-L507 WeakPolarHBondContact O-CB 2.97Å; L504-L507 PolarHBondContact O-N 2.9Å; N505-L507 VanDerWaalsContact C-N 3.3Å; L507-N509 VanDerWaalsContact C-N 3.28Å; L507-N509 PolarHBondContact O-N 2.93Å; L507-K510 HydrophobicContact CD2-CD 3.93Å; L507-K510 WeakPolarHBondContact O-CB 3.48Å; L507-K510 PolarHBondContact O-N 3.25Å; L507-K510 VanDerWaalsContact O-N 3.15Å
508T86.8Confident88.4Confident94 Ų94104.3 Ų104.358%0.57754%0.544SS*.Hα-helixtrans-68.5-27.4177.659.50000112.9L504 N505 Y506 K510L504-T508 PolarHBondContact O-N 3.4Å; N505-T508 PolarHBondContact O-N 3.02Å; N505-T508 PolarHBondContact O-OG1 2.84Å; Y506-T508 VanDerWaalsContact C-N 3.33Å; Y506-T508 PolarHBondContact O-N 3.41Å; T508-K510 PolarHBondContact O-N 2.83Å
509N83.9Confident88.3Confident134 Ų134106.4 Ų106.472%0.71756%0.559SS**THydrogen-bonded Turntrans-72.3-15.1174.3-68.6-20.6000112.9Y506 L507Y506-N509 PolarHBondContact O-N 2.92Å; L507-N509 VanDerWaalsContact C-N 3.28Å; L507-N509 PolarHBondContact O-N 2.93Å
510K85.5Confident88.2Confident91 Ų91106.7 Ų106.740%0.39656%0.558SS.*SBendtrans-78.8138.6175.4-59.7-178.6-176.6176.50109.2Y506 L507 T508 K512Y506-K510 VanDerWaalsContact CE1-CE 3.44Å; L507-K510 HydrophobicContact CD2-CD 3.93Å; L507-K510 WeakPolarHBondContact O-CB 3.48Å; L507-K510 PolarHBondContact O-N 3.25Å; L507-K510 VanDerWaalsContact O-N 3.15Å; T508-K510 PolarHBondContact O-N 2.83Å; K510-K512 PolarHBondContact O-N 2.96Å
511L73.9Confident88.2Confident183 Ų183108.6 Ų108.696%0.95856%0.559SS**SBendtrans-72.159.1178.7-63.7167.9000112.4
512K81.7Confident88.2Confident160 Ų160112.6 Ų112.670%0.69658%0.576SS**  trans-117.9103.7174-68.6-172.8179.8-174.50109.2K510 K514K510-K512 PolarHBondContact O-N 2.96Å; K512-K514 PolarHBondContact O-N 3.28Å
513M80.1Confident88.3Confident201 Ų201109.6 Ų109.699%0.9956%0.56SS**  trans-77.8117.5169.1-65.8-141.2-166.100109.5
514K81.5Confident88.4Confident179 Ų179107 Ų10778%0.77855%0.546SS*.  trans-115.4144.1171.2-68-175177.7-1760109K512K512-K514 PolarHBondContact O-N 3.28Å
515S85.4Confident88.5Confident101 Ų101106.4 Ų106.471%0.70654%0.542SS*.PPolyproline II helixtrans-66.3143.3169.949.70000110.3L517S515-L517 PolarHBondContact O-N 3.31Å
516P87.3Confident88.7Confident61 Ų61106.7 Ų106.740%0.39654%0.543SS..PPolyproline II helixtrans-64.9135.417527.1-34.7000110.6F520 Y521P516-F520 HydrophobicContact CB-CB 4.29Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.29Å; P516-F520 HydrophobicContact CB-CG 4.16Å; P516-Y521 HydrophobicContact CB-CE2 4.09Å; P516-Y521 HydrophobicContact CG-CE1 4.39Å; P516-Y521 HydrophobicContact CG-CE2 3.84Å; P516-Y521 WeakPolarHBondContact CG-OH 3.49Å
517L92.9Very high88.9Confident124 Ų124100.1 Ų100.165%0.64952%0.522SS*.PPolyproline II helixtrans-79.2161.5175.6-66.1164.4000111S515 T519 F520 Y521S515-L517 PolarHBondContact O-N 3.31Å; L517-T519 PolarHBondContact O-N 3.48Å; L517-T519 VanDerWaalsContact O-N 3.15Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.35Å; L517-F520 PolarHBondContact O-N 3.22Å; L517-Y521 PolarHBondContact O-N 3.47Å
518C92.8Very high89.2Confident110 Ų11099.6 Ų99.674%0.74352%0.516SS*.Hα-helixtrans-55-33.1173.7-62.40000113F520 Y521 F522C518-F520 VanDerWaalsContact C-N 3.32Å; C518-F520 PolarHBondContact O-N 3.42Å; C518-Y521 PolarHBondContact O-N 3.07Å; C518-F522 PolarHBondContact O-N 2.87Å
519T92.8Very high89.6Confident100 Ų10098.5 Ų98.561%0.61350%0.502SS*.Hα-helixtrans-64.8-33.7175.752.90000112.9L517 S523L517-T519 PolarHBondContact O-N 3.48Å; L517-T519 VanDerWaalsContact O-N 3.15Å; T519-S523 PolarHBondContact O-N 2.91Å; T519-S523 VanDerWaalsContact O-N 3.13Å; T519-S523 PolarHBondContact O-OG 3.08Å; T519-S523 VanDerWaalsContact O-OG 3.08Å
520F93.4Very high90.1Very high80 Ų8093.4 Ų93.435%0.35148%0.476SS..Hα-helixtrans-66.9-44.5172.7177.8-95.9000110.7T294 P516 L517 C518 F522 S523 N524T294-F520 HydrophobicContact CG2-CD2 3.69Å; T294-F520 HydrophobicContact CG2-CE2 3.81Å; P516-F520 HydrophobicContact CB-CB 4.29Å; P516-F520 HydrophobicContact CB-CD1 3.61Å; P516-F520 HydrophobicContact CB-CE1 4.29Å; P516-F520 HydrophobicContact CB-CG 4.16Å; L517-F520 VanDerWaalsContact O-CB 3.31Å; L517-F520 WeakPolarHBondContact O-CB 3.35Å; L517-F520 PolarHBondContact O-N 3.22Å; C518-F520 VanDerWaalsContact C-N 3.32Å; C518-F520 PolarHBondContact O-N 3.42Å; F520-F522 PolarHBondContact O-N 2.95Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 2.94Å; F520-N524 HydrophobicContact CE1-CB 4.4Å; F520-N524 VanDerWaalsContact O-CB 3.25Å; F520-N524 WeakPolarHBondContact O-CB 3.47Å; F520-N524 PolarHBondContact O-N 3.47Å
521Y93.8Very high90.5Very high101 Ų10191.5 Ų91.540%0.39647%0.474SS..Hα-helixtrans-63.6-41.4176.3-69.7-62.2000112.6P516 L517 C518 S523 N524 M525P516-Y521 HydrophobicContact CB-CE2 4.09Å; P516-Y521 HydrophobicContact CG-CE1 4.39Å; P516-Y521 HydrophobicContact CG-CE2 3.84Å; P516-Y521 WeakPolarHBondContact CG-OH 3.49Å; L517-Y521 PolarHBondContact O-N 3.47Å; C518-Y521 PolarHBondContact O-N 3.07Å; Y521-S523 PolarHBondContact O-N 3.19Å; Y521-N524 PolarHBondContact O-N 3.49Å; Y521-M525 HydrophobicContact CD1-CE 4.41Å; Y521-M525 WeakPolarHBondContact O-CB 3.33Å; Y521-M525 PolarHBondContact O-N 3.43Å
522F95.6Very high91.5Very high90 Ų9087.5 Ų87.540%0.39545%0.453SS..Hα-helixtrans-58.1-49.1176.2178.2-94.4000112F287 C518 F520 L526 G527 F528F287-F522 HydrophobicContact CE2-CZ 4.43Å; C518-F522 PolarHBondContact O-N 2.87Å; F520-F522 PolarHBondContact O-N 2.95Å; F522-L526 PolarHBondContact O-N 3.36Å; F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.26Å; F522-G527 PolarHBondContact O-N 2.98Å; F522-F528 HydrophobicContact CB-CE2 4.38Å; F522-F528 HydrophobicContact CD2-CD2 4.26Å; F522-F528 HydrophobicContact CD2-CE2 4.26Å
523S95.6Very high92.1Very high7 Ų780.7 Ų80.75%0.04943%0.425CS..Hα-helixtrans-68.6-41.5179.655.50000112.7T294 T519 F520 Y521 L526T294-S523 WeakPolarHBondContact CG2-OG 3.42Å; T294-S523 VanDerWaalsContact OG1-C 3.26Å; T294-S523 VanDerWaalsContact OG1-CB 3.22Å; T294-S523 WeakPolarHBondContact OG1-CB 3.25Å; T294-S523 PolarHBondContact OG1-OG 3.44Å; T519-S523 PolarHBondContact O-N 2.91Å; T519-S523 VanDerWaalsContact O-N 3.13Å; T519-S523 PolarHBondContact O-OG 3.08Å; T519-S523 VanDerWaalsContact O-OG 3.08Å; F520-S523 PolarHBondContact O-N 3.3Å; F520-S523 PolarHBondContact O-OG 2.94Å; Y521-S523 PolarHBondContact O-N 3.19Å; S523-L526 PolarHBondContact O-N 2.84Å
524N94.5Very high92.8Very high50 Ų5074.1 Ų74.127%0.26739%0.392SS..Hα-helixtrans-71.3-37.5-177.2-16823.4000112.1T294 Q295 F520 Y521 L526T294-N524 WeakPolarHBondContact OG1-CA 3.27Å; T294-N524 PolarHBondContact OG1-N 2.96Å; Q295-N524 PolarHBondContact NE2-O 2.87Å; F520-N524 HydrophobicContact CE1-CB 4.4Å; F520-N524 VanDerWaalsContact O-CB 3.25Å; F520-N524 WeakPolarHBondContact O-CB 3.47Å; F520-N524 PolarHBondContact O-N 3.47Å; Y521-N524 PolarHBondContact O-N 3.49Å; N524-L526 VanDerWaalsContact C-N 3.29Å; N524-L526 PolarHBondContact O-N 3.26Å
525M94.1Very high93.4Very high99 Ų9974.8 Ų74.849%0.48839%0.389SS..THydrogen-bonded Turntrans-90.322.5177.8-61.3-166.2-179.200113.6Y521 G527 F528Y521-M525 HydrophobicContact CD1-CE 4.41Å; Y521-M525 WeakPolarHBondContact O-CB 3.33Å; Y521-M525 PolarHBondContact O-N 3.43Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.87Å; M525-F528 HydrophobicContact CB-CD1 3.83Å; M525-F528 HydrophobicContact CB-CE1 3.87Å; M525-F528 HydrophobicContact CG-CE1 4.18Å; M525-F528 WeakPolarHBondContact O-CA 3.35Å; M525-F528 PolarHBondContact O-N 3.49Å; M525-F528 HydrophobicContact SD-CD1 3.97Å; M525-F528 HydrophobicContact SD-CE1 3.55Å; M525-F528 VanDerWaalsContact SD-CE1 3.55Å
526L93.8Very high93.9Very high31 Ų3173.1 Ų73.116%0.16238%0.375CS..G310 helixtrans54.946.7173.8-52.8-176.8000113.2C291 F304 F522 S523 N524 F528 Y529 P530C291-L526 HydrophobicContact CB-CD2 3.84Å; F304-L526 HydrophobicContact CE1-CD2 4.03Å; F304-L526 HydrophobicContact CE2-CD2 3.55Å; F304-L526 HydrophobicContact CZ-CD1 3.86Å; F304-L526 HydrophobicContact CZ-CD2 3.15Å; F304-L526 HydrophobicContact CZ-CG 4.11Å; F522-L526 PolarHBondContact O-N 3.36Å; S523-L526 PolarHBondContact O-N 2.84Å; N524-L526 VanDerWaalsContact C-N 3.29Å; N524-L526 PolarHBondContact O-N 3.26Å; L526-F528 PolarHBondContact O-N 2.75Å; L526-Y529 PolarHBondContact O-N 3.09Å; L526-Y529 VanDerWaalsContact O-N 3.12Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.1Å; L526-P530 WeakPolarHBondContact O-CD 3.49Å
527G92.9Very high94.3Very high16 Ų1675.5 Ų75.517%0.16538%0.383CS..G310 helixtrans63.121-177.900000114.4F522 M525 Y529F522-G527 VanDerWaalsContact CE2-CA 3.43Å; F522-G527 WeakPolarHBondContact O-CA 3.26Å; F522-G527 PolarHBondContact O-N 2.98Å; M525-G527 VanDerWaalsContact C-N 3.35Å; M525-G527 PolarHBondContact O-N 2.87Å; G527-Y529 PolarHBondContact O-N 2.95Å
528F95.2Very high94.5Very high79 Ų7972.6 Ų72.635%0.34637%0.371SS..G310 helixtrans56.911.2-170.6-50.9-72.3000114.2F522 M525 L526 S531 I532F522-F528 HydrophobicContact CB-CE2 4.38Å; F522-F528 HydrophobicContact CD2-CD2 4.26Å; F522-F528 HydrophobicContact CD2-CE2 4.26Å; M525-F528 HydrophobicContact CB-CD1 3.83Å; M525-F528 HydrophobicContact CB-CE1 3.87Å; M525-F528 HydrophobicContact CG-CE1 4.18Å; M525-F528 WeakPolarHBondContact O-CA 3.35Å; M525-F528 PolarHBondContact O-N 3.49Å; M525-F528 HydrophobicContact SD-CD1 3.97Å; M525-F528 HydrophobicContact SD-CE1 3.55Å; M525-F528 VanDerWaalsContact SD-CE1 3.55Å; L526-F528 PolarHBondContact O-N 2.75Å; F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.32Å; F528-S531 PolarHBondContact O-N 2.92Å; F528-S531 PolarHBondContact O-OG 3.49Å; F528-I532 HydrophobicContact CB-CD1 4.01Å; F528-I532 HydrophobicContact CB-CG1 4.49Å; F528-I532 WeakPolarHBondContact O-CD1 3.35Å; F528-I532 VanDerWaalsContact O-CG1 3.28Å; F528-I532 WeakPolarHBondContact O-CG1 3.44Å; F528-I532 PolarHBondContact O-N 3.18Å
529Y94.9Very high94.6Very high72 Ų7274.3 Ų74.328%0.28236%0.364SS..Hα-helixtrans-67-51.1-172.9-174.9-86.8000111.7G228 H230 P231 L526 G527 S531 I532 T533G228-Y529 WeakPolarHBondContact CA-OH 3.31Å; G228-Y529 PolarHBondContact O-OH 3.42Å; H230-Y529 AromaticContact CE1-CD1 3.63Å; H230-Y529 AromaticContact CE1-CE1 3.96Å; H230-Y529 AromaticContact CE1-CG 3.83Å; H230-Y529 AromaticContact NE2-CD1 3.94Å; P231-Y529 HydrophobicContact CG-CD1 3.39Å; P231-Y529 HydrophobicContact CG-CE1 3.48Å; P231-Y529 VanDerWaalsContact CG-CE1 3.48Å; L526-Y529 PolarHBondContact O-N 3.09Å; L526-Y529 VanDerWaalsContact O-N 3.12Å; G527-Y529 PolarHBondContact O-N 2.95Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 3.31Å; Y529-I532 PolarHBondContact O-N 2.93Å; Y529-T533 HydrophobicContact CD1-CG2 4.22Å; Y529-T533 HydrophobicContact CD2-CG2 4.01Å; Y529-T533 HydrophobicContact CE1-CG2 3.94Å; Y529-T533 HydrophobicContact CE2-CG2 3.7Å; Y529-T533 HydrophobicContact CG-CG2 4.26Å; Y529-T533 WeakPolarHBondContact O-CB 3.45Å; Y529-T533 WeakPolarHBondContact O-CG2 3.42Å; Y529-T533 PolarHBondContact O-N 3.26Å; Y529-T533 PolarHBondContact O-OG1 3.22Å
530P94.1Very high94.8Very high27 Ų2774.5 Ų74.518%0.17536%0.36CS..Hα-helixtrans-62.1-41.1176.1-22.335.6000112.2P231 L526 I532 H534P231-P530 HydrophobicContact CB-CG 4.29Å; L526-P530 HydrophobicContact CB-CG 4.07Å; L526-P530 HydrophobicContact CD1-CG 4.1Å; L526-P530 WeakPolarHBondContact O-CD 3.49Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.45Å; P530-H534 WeakPolarHBondContact O-CB 2.77Å; P530-H534 PolarHBondContact O-N 3.23Å
531S93.8Very high94.9Very high50 Ų5072.4 Ų72.435%0.3536%0.361SS..Hα-helixtrans-63.5-33.3-178.647.30000113.5F528 Y529 R535F528-S531 VanDerWaalsContact C-OG 3.24Å; F528-S531 VanDerWaalsContact CA-OG 3.26Å; F528-S531 WeakPolarHBondContact CA-OG 3.32Å; F528-S531 PolarHBondContact O-N 2.92Å; F528-S531 PolarHBondContact O-OG 3.49Å; Y529-S531 VanDerWaalsContact C-N 3.34Å; Y529-S531 PolarHBondContact O-N 3.31Å; S531-R535 WeakPolarHBondContact O-CD 3.28Å; S531-R535 WeakPolarHBondContact O-CG 3.12Å
532I95.8Very high95Very high99 Ų9973.2 Ų73.251%0.50837%0.372SS..Hα-helixtrans-83.4-61.7177-63.7165.5000108.8F528 Y529 P530 H534 R535 T536F528-I532 HydrophobicContact CB-CD1 4.01Å; F528-I532 HydrophobicContact CB-CG1 4.49Å; F528-I532 WeakPolarHBondContact O-CD1 3.35Å; F528-I532 VanDerWaalsContact O-CG1 3.28Å; F528-I532 WeakPolarHBondContact O-CG1 3.44Å; F528-I532 PolarHBondContact O-N 3.18Å; Y529-I532 PolarHBondContact O-N 2.93Å; P530-I532 VanDerWaalsContact C-N 3.29Å; P530-I532 PolarHBondContact O-N 3.45Å; I532-H534 PolarHBondContact O-N 3.17Å; I532-R535 PolarHBondContact O-N 2.85Å; I532-T536 HydrophobicContact CG2-CG2 4.45Å; I532-T536 WeakPolarHBondContact O-CG2 3.29Å; I532-T536 PolarHBondContact O-N 3.32Å; I532-T536 PolarHBondContact O-OG1 3.25Å
533T94.5Very high95.1Very high18 Ų1871.8 Ų71.811%0.1137%0.368CS..Hα-helixtrans-66.3-42.9-168.859.80000113.5Y529 R535 I537 P538Y529-T533 HydrophobicContact CD1-CG2 4.22Å; Y529-T533 HydrophobicContact CD2-CG2 4.01Å; Y529-T533 HydrophobicContact CE1-CG2 3.94Å; Y529-T533 HydrophobicContact CE2-CG2 3.7Å; Y529-T533 HydrophobicContact CG-CG2 4.26Å; Y529-T533 WeakPolarHBondContact O-CB 3.45Å; Y529-T533 WeakPolarHBondContact O-CG2 3.42Å; Y529-T533 PolarHBondContact O-N 3.26Å; Y529-T533 PolarHBondContact O-OG1 3.22Å; T533-R535 PolarHBondContact O-N 3.37Å; T533-I537 HydrophobicContact CG2-CD1 4.37Å; T533-I537 WeakPolarHBondContact O-CB 3.39Å; T533-I537 WeakPolarHBondContact O-CG1 3.42Å; T533-I537 PolarHBondContact O-N 3.44Å; T533-P538 WeakPolarHBondContact O-CD 3.44Å
534H94.7Very high95.2Very high63 Ų6374.6 Ų74.629%0.29239%0.385SS..Hα-helixtrans-74.7-12.6-178.7-57.8166.8000113.3Q170 Y174 P530 I532 P538Q170-H534 PolarHBondContact NE2-CE1 3.16Å; Y174-H534 AromaticContact CE2-NE2 3.84Å; Y174-H534 AromaticContact CZ-NE2 3.77Å; Y174-H534 PolarHBondContact OH-CD2 2.95Å; Y174-H534 PolarHBondContact OH-NE2 3.35Å; P530-H534 WeakPolarHBondContact O-CB 2.77Å; P530-H534 PolarHBondContact O-N 3.23Å; I532-H534 PolarHBondContact O-N 3.17Å; H534-P538 VanDerWaalsContact O-CD 3.28Å; H534-P538 WeakPolarHBondContact O-CD 3.01Å; H534-P538 VanDerWaalsContact O-CG 3.24Å; H534-P538 WeakPolarHBondContact O-CG 3.31Å
535R94.4Very high95.3Very high192 Ų19275 Ų7573%0.72539%0.392SS*.Hα-helixtrans-95.8-50.9173.9-66.7-172177.7-172.4-1.2111.5S531 I532 T533 Y539S531-R535 WeakPolarHBondContact O-CD 3.28Å; S531-R535 WeakPolarHBondContact O-CG 3.12Å; I532-R535 PolarHBondContact O-N 2.85Å; T533-R535 PolarHBondContact O-N 3.37Å; R535-Y539 WeakPolarHBondContact O-CB 3.45Å; R535-Y539 PolarHBondContact O-N 3.33Å
536T96.3Very high95.4Very high67 Ų6775.6 Ų75.641%0.41139%0.393SS..Hα-helixtrans-72.3-45.2-172.458.70000112.4I532 Y539 L540I532-T536 HydrophobicContact CG2-CG2 4.45Å; I532-T536 WeakPolarHBondContact O-CG2 3.29Å; I532-T536 PolarHBondContact O-N 3.32Å; I532-T536 PolarHBondContact O-OG1 3.25Å; T536-Y539 PolarHBondContact O-N 3.27Å; T536-L540 WeakPolarHBondContact O-CB 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.26Å; T536-L540 PolarHBondContact O-N 3.42Å
537I95.1Very high95.5Very high111 Ų11177.5 Ų77.557%0.56940%0.403SS*.Hα-helixtrans-66.7-49.1-175-58.8169.6000110.9T533 Y539 L540 G541T533-I537 HydrophobicContact CG2-CD1 4.37Å; T533-I537 WeakPolarHBondContact O-CB 3.39Å; T533-I537 WeakPolarHBondContact O-CG1 3.42Å; T533-I537 PolarHBondContact O-N 3.44Å; I537-Y539 PolarHBondContact O-N 2.92Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-G541 PolarHBondContact O-N 2.94Å
538P95.8Very high95.6Very high62 Ų6281.3 Ų81.340%0.40342%0.42SS..Hα-helixtrans-66.3-37.2177-24.638.5000112.9T533 H534 G541 L542T533-P538 WeakPolarHBondContact O-CD 3.44Å; H534-P538 VanDerWaalsContact O-CD 3.28Å; H534-P538 WeakPolarHBondContact O-CD 3.01Å; H534-P538 VanDerWaalsContact O-CG 3.24Å; H534-P538 WeakPolarHBondContact O-CG 3.31Å; P538-G541 PolarHBondContact O-N 2.98Å; P538-L542 VanDerWaalsContact O-CB 3.32Å; P538-L542 WeakPolarHBondContact O-CB 3.24Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.17Å; P538-L542 PolarHBondContact O-N 3.1Å
539Y96.6Very high95.6Very high147 Ų14780.2 Ų80.258%0.57642%0.42SS*.Hα-helixtrans-60.6-50.3176.7174.5-103.9000111.7R535 T536 I537 L543R535-Y539 WeakPolarHBondContact O-CB 3.45Å; R535-Y539 PolarHBondContact O-N 3.33Å; T536-Y539 PolarHBondContact O-N 3.27Å; I537-Y539 PolarHBondContact O-N 2.92Å; Y539-L543 HydrophobicContact CE1-CD1 4.06Å; Y539-L543 HydrophobicContact CE2-CD1 4.18Å; Y539-L543 WeakPolarHBondContact O-CB 3.44Å; Y539-L543 PolarHBondContact O-N 2.95Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.29Å
540L96.4Very high95.7Very high104 Ų10480.9 Ų80.955%0.54543%0.428SS..Hα-helixtrans-64.9-41.8177.8-68.8173.6000111.6T536 I537 T544T536-L540 WeakPolarHBondContact O-CB 3.32Å; T536-L540 WeakPolarHBondContact O-CG 3.26Å; T536-L540 PolarHBondContact O-N 3.42Å; I537-L540 PolarHBondContact O-N 3.26Å; L540-T544 WeakPolarHBondContact O-CB 3.44Å; L540-T544 VanDerWaalsContact O-CG2 3.23Å; L540-T544 WeakPolarHBondContact O-CG2 3.37Å; L540-T544 PolarHBondContact O-N 3.49Å; L540-T544 PolarHBondContact O-OG1 2.97Å
541G95.8Very high95.8Very high36 Ų3683 Ų8337%0.37144%0.438SS..Hα-helixtrans-62.2-47.5177.700000112.8I537 P538 T544 S545I537-G541 PolarHBondContact O-N 2.94Å; P538-G541 PolarHBondContact O-N 2.98Å; G541-T544 PolarHBondContact O-OG1 3.32Å; G541-S545 VanDerWaalsContact O-CB 3.26Å; G541-S545 WeakPolarHBondContact O-CB 3.23Å; G541-S545 PolarHBondContact O-N 2.72Å; G541-S545 PolarHBondContact O-OG 2.94Å
542L96.1Very high95.9Very high118 Ų11884.2 Ų84.262%0.61844%0.44SS*.Hα-helixtrans-68.9-43.3179.3-68.9173.4000111.8P538 T544 S545 Q546P538-L542 VanDerWaalsContact O-CB 3.32Å; P538-L542 WeakPolarHBondContact O-CB 3.24Å; P538-L542 VanDerWaalsContact O-CG 3.28Å; P538-L542 WeakPolarHBondContact O-CG 3.17Å; P538-L542 PolarHBondContact O-N 3.1Å; L542-T544 PolarHBondContact O-N 2.89Å; L542-S545 WeakPolarHBondContact CA-OG 3.34Å; L542-S545 PolarHBondContact O-N 3.41Å; L542-S545 PolarHBondContact O-OG 3.37Å; L542-Q546 PolarHBondContact O-N 2.73Å
543L97.1Very high95.9Very high60 Ų6083.6 Ų83.631%0.31444%0.437SS..Hα-helixtrans-62.5-44.6178.2-173.4154000111.7Y539 Q546 N547Y539-L543 HydrophobicContact CE1-CD1 4.06Å; Y539-L543 HydrophobicContact CE2-CD1 4.18Å; Y539-L543 WeakPolarHBondContact O-CB 3.44Å; Y539-L543 PolarHBondContact O-N 2.95Å; Y539-L543 WeakPolarHBondContact OH-CD1 3.29Å; L543-Q546 PolarHBondContact O-N 3.24Å; L543-N547 WeakPolarHBondContact CD2-ND2 3.35Å; L543-N547 WeakPolarHBondContact O-CB 3.45Å; L543-N547 PolarHBondContact O-N 2.98Å
544T96.6Very high96Very high65 Ų6586.7 Ų86.740%0.39945%0.453SS..Hα-helixtrans-64.8-41175.452.50000111.3L540 G541 L542 Q546 L548 P549L540-T544 WeakPolarHBondContact O-CB 3.44Å; L540-T544 VanDerWaalsContact O-CG2 3.23Å; L540-T544 WeakPolarHBondContact O-CG2 3.37Å; L540-T544 PolarHBondContact O-N 3.49Å; L540-T544 PolarHBondContact O-OG1 2.97Å; G541-T544 PolarHBondContact O-OG1 3.32Å; L542-T544 PolarHBondContact O-N 2.89Å; T544-Q546 VanDerWaalsContact C-N 3.32Å; T544-Q546 PolarHBondContact O-N 3.49Å; T544-L548 WeakPolarHBondContact O-CB 3.04Å; T544-L548 PolarHBondContact O-N 2.85Å; T544-P549 WeakPolarHBondContact O-CD 3.38Å
545S96.8Very high96Very high60 Ų6087.5 Ų87.542%0.4246%0.459SS..Hα-helixtrans-65.9-28.8176.6770000114.1G541 L542 P549G541-S545 VanDerWaalsContact O-CB 3.26Å; G541-S545 WeakPolarHBondContact O-CB 3.23Å; G541-S545 PolarHBondContact O-N 2.72Å; G541-S545 PolarHBondContact O-OG 2.94Å; L542-S545 WeakPolarHBondContact CA-OG 3.34Å; L542-S545 PolarHBondContact O-N 3.41Å; L542-S545 PolarHBondContact O-OG 3.37Å; S545-P549 WeakPolarHBondContact O-CD 3.5Å; S545-P549 WeakPolarHBondContact O-CG 3.39Å
546Q96.6Very high96.1Very high110 Ų11081.9 Ų81.951%0.51445%0.447SS..Iπ-helixtrans-81.9-47.5176.4-176.7180-0.600111.3L542 L543 T544 L550 L551L542-Q546 PolarHBondContact O-N 2.73Å; L543-Q546 PolarHBondContact O-N 3.24Å; T544-Q546 VanDerWaalsContact C-N 3.32Å; T544-Q546 PolarHBondContact O-N 3.49Å; Q546-L550 WeakPolarHBondContact O-CB 3.18Å; Q546-L551 HydrophobicContact CG-CD1 4.08Å; Q546-L551 WeakPolarHBondContact O-CG 3.13Å; Q546-L551 PolarHBondContact O-N 3.01Å
547N96.6Very high96.1Very high71 Ų7185.5 Ų85.538%0.3845%0.453SS..Iπ-helixtrans-78.5-40.6-170-68.5-16000112.6L543 L552L543-N547 WeakPolarHBondContact CD2-ND2 3.35Å; L543-N547 WeakPolarHBondContact O-CB 3.45Å; L543-N547 PolarHBondContact O-N 2.98Å; N547-L552 WeakPolarHBondContact O-CB 3.45Å; N547-L552 PolarHBondContact O-N 3.02Å; N547-L552 VanDerWaalsContact O-N 3.08Å
548L95.2Very high96.2Very high97 Ų9784.7 Ų84.751%0.50845%0.449SS..Iπ-helixtrans-83.7-64.3-174.8-68.8172.4000112.9T544 L552 L553T544-L548 WeakPolarHBondContact O-CB 3.04Å; T544-L548 PolarHBondContact O-N 2.85Å; L548-L552 WeakPolarHBondContact O-CB 3.42Å; L548-L553 WeakPolarHBondContact O-CG 3.41Å; L548-L553 PolarHBondContact O-N 3.39Å
549P95.6Very high96.1Very high55 Ų5585.2 Ų85.236%0.35745%0.446SS..Iπ-helixtrans-75.6-49.8-176.429.9-30.9000111.9T544 S545 L553 D554T544-P549 WeakPolarHBondContact O-CD 3.38Å; S545-P549 WeakPolarHBondContact O-CD 3.5Å; S545-P549 WeakPolarHBondContact O-CG 3.39Å; P549-L553 WeakPolarHBondContact O-CB 3.44Å; P549-L553 PolarHBondContact O-N 3.02Å; P549-D554 WeakPolarHBondContact O-CB 3.33Å; P549-D554 PolarHBondContact O-N 2.92Å
550L95.6Very high96Very high86 Ų8685 Ų8545%0.4545%0.448SS..Iπ-helixtrans-70.4-58.8-174-175.977.3000112.9Q546 L555Q546-L550 WeakPolarHBondContact O-CB 3.18Å; L550-L555 HydrophobicContact CG-CD1 4.18Å; L550-L555 WeakPolarHBondContact O-CB 3.41Å; L550-L555 VanDerWaalsContact O-CG 3.31Å; L550-L555 WeakPolarHBondContact O-CG 3.31Å; L550-L555 PolarHBondContact O-N 3.08Å
551L96Very high96Very high73 Ų7384.6 Ų84.638%0.38245%0.446SS..Iπ-helixtrans-78.5-49.1-173.1-69.8171000112.5Q546 L555 T556Q546-L551 HydrophobicContact CG-CD1 4.08Å; Q546-L551 WeakPolarHBondContact O-CG 3.13Å; Q546-L551 PolarHBondContact O-N 3.01Å; L551-L555 HydrophobicContact CD2-CD1 3.96Å; L551-T556 VanDerWaalsContact O-CG2 3.31Å; L551-T556 WeakPolarHBondContact O-CG2 3.39Å; L551-T556 PolarHBondContact O-N 2.8Å; L551-T556 PolarHBondContact O-OG1 2.94Å
552L96.7Very high96Very high75 Ų7588 Ų8839%0.39346%0.455SS..Iπ-helixtrans-79.6-51.2-174.4-171.2151.3000111.8N547 L548 T556 W557N547-L552 WeakPolarHBondContact O-CB 3.45Å; N547-L552 PolarHBondContact O-N 3.02Å; N547-L552 VanDerWaalsContact O-N 3.08Å; L548-L552 WeakPolarHBondContact O-CB 3.42Å; L552-T556 WeakPolarHBondContact CA-OG1 3.4Å; L552-T556 PolarHBondContact O-OG1 3.33Å; L552-W557 VanDerWaalsContact CD2-CD1 3.42Å; L552-W557 HydrophobicContact CD2-CG 4.48Å; L552-W557 WeakPolarHBondContact O-CB 3.17Å; L552-W557 PolarHBondContact O-N 3.29Å
553L96.1Very high96Very high86 Ų8686 Ų8645%0.4545%0.449SS..Iπ-helixtrans-78-62.3-176.8-68.7170.2000112L548 P549 W557 L558L548-L553 WeakPolarHBondContact O-CG 3.41Å; L548-L553 PolarHBondContact O-N 3.39Å; P549-L553 WeakPolarHBondContact O-CB 3.44Å; P549-L553 PolarHBondContact O-N 3.02Å; L553-W557 PolarHBondContact O-N 2.7Å; L553-L558 WeakPolarHBondContact O-CB 3.44Å; L553-L558 WeakPolarHBondContact O-CG 3.42Å; L553-L558 PolarHBondContact O-N 2.82Å
554D95.4Very high95.9Very high83 Ų8388 Ų8844%0.44446%0.455SS..Iπ-helixtrans-72.8-54.4-167.3-65.8-16.3000112.2P549P549-D554 WeakPolarHBondContact O-CB 3.33Å; P549-D554 PolarHBondContact O-N 2.92Å
555L95.5Very high95.9Very high79 Ų7987 Ų8741%0.41445%0.449SS..Iπ-helixtrans-77.8-25.5-174.3-69.7172.9000114.1L550 L551 E559L550-L555 HydrophobicContact CG-CD1 4.18Å; L550-L555 WeakPolarHBondContact O-CB 3.41Å; L550-L555 VanDerWaalsContact O-CG 3.31Å; L550-L555 WeakPolarHBondContact O-CG 3.31Å; L550-L555 PolarHBondContact O-N 3.08Å; L551-L555 HydrophobicContact CD2-CD1 3.96Å; L555-E559 VanDerWaalsContact O-CD 3.31Å
556T95.8Very high95.9Very high75 Ų7588.4 Ų88.446%0.4645%0.451SS..Iπ-helixtrans-113.4-61.8-176.358.20000113.4L551 L552 K560L551-T556 VanDerWaalsContact O-CG2 3.31Å; L551-T556 WeakPolarHBondContact O-CG2 3.39Å; L551-T556 PolarHBondContact O-N 2.8Å; L551-T556 PolarHBondContact O-OG1 2.94Å; L552-T556 WeakPolarHBondContact CA-OG1 3.4Å; L552-T556 PolarHBondContact O-OG1 3.33Å; T556-K560 WeakPolarHBondContact O-CB 3.19Å; T556-K560 PolarHBondContact O-N 2.74Å
557W96.4Very high95.9Very high143 Ų14385.5 Ų85.554%0.54244%0.443SS..Iπ-helixtrans-69.5-50.2-174.3-85.298.8000113.1L552 L553 K560 L561L552-W557 VanDerWaalsContact CD2-CD1 3.42Å; L552-W557 HydrophobicContact CD2-CG 4.48Å; L552-W557 WeakPolarHBondContact O-CB 3.17Å; L552-W557 PolarHBondContact O-N 3.29Å; L553-W557 PolarHBondContact O-N 2.7Å; W557-K560 PolarHBondContact O-N 3.5Å; W557-L561 HydrophobicContact CE3-CD1 3.8Å; W557-L561 HydrophobicContact CE3-CD2 4.11Å; W557-L561 HydrophobicContact CE3-CG 3.84Å; W557-L561 HydrophobicContact CZ3-CD2 4.15Å; W557-L561 HydrophobicContact CZ3-CG 4.38Å; W557-L561 WeakPolarHBondContact O-CB 3.18Å; W557-L561 WeakPolarHBondContact O-CG 3.31Å; W557-L561 PolarHBondContact O-N 3.28Å
558L96.6Very high95.8Very high93 Ų9388.7 Ų88.749%0.48746%0.455SS..Iπ-helixtrans-64.2-43.2-179.5-71.3179.1000111.5L553 L562 P563L553-L558 WeakPolarHBondContact O-CB 3.44Å; L553-L558 WeakPolarHBondContact O-CG 3.42Å; L553-L558 PolarHBondContact O-N 2.82Å; L558-L562 PolarHBondContact O-N 3.02Å; L558-P563 WeakPolarHBondContact O-CD 3.19Å
559E95.1Very high95.8Very high73 Ų7390.2 Ų90.234%0.34146%0.46SS..Hα-helixtrans-64.5-39.4173.7-76.8-168.8-170.400113.4L555 P563 K564L555-E559 VanDerWaalsContact O-CD 3.31Å; E559-P563 WeakPolarHBondContact O-CD 3.41Å; E559-P563 WeakPolarHBondContact O-CG 3.39Å; E559-K564 WeakPolarHBondContact O-CB 3.2Å; E559-K564 WeakPolarHBondContact O-CG 3.02Å; E559-K564 PolarHBondContact O-N 2.61Å; E559-K564 VanDerWaalsContact O-N 3.11Å; E559-K564 IonicContact OE2-NZ 2.85Å; E559-K564 PolarHBondContact OE2-NZ 3.32Å
560K95.2Very high95.7Very high144 Ų14493.5 Ų93.563%0.62647%0.47SS*.Iπ-helixtrans-74.1-43-178.2-168.6174.2-177-179.30111.3T556 W557 L562 T565T556-K560 WeakPolarHBondContact O-CB 3.19Å; T556-K560 PolarHBondContact O-N 2.74Å; W557-K560 PolarHBondContact O-N 3.5Å; K560-L562 PolarHBondContact O-N 3Å; K560-T565 WeakPolarHBondContact O-CG2 3.01Å; K560-T565 PolarHBondContact O-N 3.42Å; K560-T565 PolarHBondContact O-OG1 2.82Å
561L96.3Very high95.6Very high95 Ų9594 Ų9450%0.49747%0.472SS..Iπ-helixtrans-67.7-34.4-173.3-79.1171.7000114.1W557 T565W557-L561 HydrophobicContact CE3-CD1 3.8Å; W557-L561 HydrophobicContact CE3-CD2 4.11Å; W557-L561 HydrophobicContact CE3-CG 3.84Å; W557-L561 HydrophobicContact CZ3-CD2 4.15Å; W557-L561 HydrophobicContact CZ3-CG 4.38Å; W557-L561 WeakPolarHBondContact O-CB 3.18Å; W557-L561 WeakPolarHBondContact O-CG 3.31Å; W557-L561 PolarHBondContact O-N 3.28Å; L561-T565 PolarHBondContact O-OG1 2.88Å
562L95.7Very high95.5Very high107 Ų10792.7 Ų92.756%0.5647%0.47SS*.Iπ-helixtrans-111.9-75.4-173.5-72.1171.4000112.5L558 K560 K564 T565 I566L558-L562 PolarHBondContact O-N 3.02Å; K560-L562 PolarHBondContact O-N 3Å; L562-K564 PolarHBondContact O-N 3.46Å; L562-T565 PolarHBondContact O-OG1 3.11Å; L562-I566 VanDerWaalsContact O-CB 3.28Å; L562-I566 WeakPolarHBondContact O-CB 3.33Å; L562-I566 WeakPolarHBondContact O-CD1 3.28Å; L562-I566 WeakPolarHBondContact O-CG1 3.13Å; L562-I566 PolarHBondContact O-N 3.17Å
563P95.8Very high95.3Very high76 Ų7692.9 Ų92.949%0.49447%0.474SS..Iπ-helixtrans-67.9-41.5-170.925.2-32.2000112.3L558 E559 S567L558-P563 WeakPolarHBondContact O-CD 3.19Å; E559-P563 WeakPolarHBondContact O-CD 3.41Å; E559-P563 WeakPolarHBondContact O-CG 3.39Å; P563-S567 VanDerWaalsContact O-CB 3.26Å; P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 2.91Å; P563-S567 PolarHBondContact O-OG 3.3Å
564K94.9Very high95.2Very high102 Ų10291.6 Ų91.644%0.44347%0.472SS..Iπ-helixtrans-71-45.1-177.8-69.6176.8-175.7156.90112.1E559 L562 S567 Q568E559-K564 WeakPolarHBondContact O-CB 3.2Å; E559-K564 WeakPolarHBondContact O-CG 3.02Å; E559-K564 PolarHBondContact O-N 2.61Å; E559-K564 VanDerWaalsContact O-N 3.11Å; E559-K564 IonicContact OE2-NZ 2.85Å; E559-K564 PolarHBondContact OE2-NZ 3.32Å; L562-K564 PolarHBondContact O-N 3.46Å; K564-S567 WeakPolarHBondContact CA-OG 3.48Å; K564-S567 PolarHBondContact O-N 3.47Å; K564-S567 PolarHBondContact O-OG 3.25Å; K564-Q568 VanDerWaalsContact O-CB 3.24Å; K564-Q568 WeakPolarHBondContact O-CB 3.26Å; K564-Q568 PolarHBondContact O-N 2.84Å
565T96.6Very high95.1Very high45 Ų4592 Ų9228%0.27647%0.473SS..Hα-helixtrans-61.5-45.1175.148.60000112.1K560 L561 L562 Q568 H569K560-T565 WeakPolarHBondContact O-CG2 3.01Å; K560-T565 PolarHBondContact O-N 3.42Å; K560-T565 PolarHBondContact O-OG1 2.82Å; L561-T565 PolarHBondContact O-OG1 2.88Å; L562-T565 PolarHBondContact O-OG1 3.11Å; T565-Q568 PolarHBondContact O-N 3.15Å; T565-H569 WeakPolarHBondContact O-CB 3.44Å; T565-H569 PolarHBondContact O-CD2 2.81Å; T565-H569 PolarHBondContact O-N 2.83Å
566I96.4Very high94.8Very high88 Ų8894 Ų9445%0.45148%0.483SS..Hα-helixtrans-61.8-47.6177.4-67.8167.2000109.9L562 Q568 H569 Q570L562-I566 VanDerWaalsContact O-CB 3.28Å; L562-I566 WeakPolarHBondContact O-CB 3.33Å; L562-I566 WeakPolarHBondContact O-CD1 3.28Å; L562-I566 WeakPolarHBondContact O-CG1 3.13Å; L562-I566 PolarHBondContact O-N 3.17Å; I566-Q568 VanDerWaalsContact C-N 3.33Å; I566-Q568 PolarHBondContact O-N 3.38Å; I566-H569 PolarHBondContact O-N 2.87Å; I566-Q570 HydrophobicContact CG2-CG 4.41Å; I566-Q570 WeakPolarHBondContact O-CB 3.24Å; I566-Q570 WeakPolarHBondContact O-CG 3.38Å; I566-Q570 PolarHBondContact O-N 2.75Å
567S96.4Very high94.5Very high49 Ų4995.1 Ų95.134%0.34349%0.49SS..Hα-helixtrans-62-40.9178.372.50000111.9P563 K564 Q570 I571P563-S567 VanDerWaalsContact O-CB 3.26Å; P563-S567 WeakPolarHBondContact O-CB 3.37Å; P563-S567 PolarHBondContact O-N 2.91Å; P563-S567 PolarHBondContact O-OG 3.3Å; K564-S567 WeakPolarHBondContact CA-OG 3.48Å; K564-S567 PolarHBondContact O-N 3.47Å; K564-S567 PolarHBondContact O-OG 3.25Å; S567-Q570 PolarHBondContact O-N 3.2Å; S567-I571 WeakPolarHBondContact O-CB 3.47Å; S567-I571 WeakPolarHBondContact O-CD1 3.15Å; S567-I571 WeakPolarHBondContact O-CG1 3.38Å; S567-I571 PolarHBondContact O-N 3.36Å
568Q95.3Very high94Very high138 Ų13892.6 Ų92.665%0.64549%0.494SS*.Hα-helixtrans-66.7-41.2178.6-172.4173.12.300111.3K564 T565 I566 S572K564-Q568 VanDerWaalsContact O-CB 3.24Å; K564-Q568 WeakPolarHBondContact O-CB 3.26Å; K564-Q568 PolarHBondContact O-N 2.84Å; T565-Q568 PolarHBondContact O-N 3.15Å; I566-Q568 VanDerWaalsContact C-N 3.33Å; I566-Q568 PolarHBondContact O-N 3.38Å; Q568-S572 VanDerWaalsContact O-CB 3.29Å; Q568-S572 WeakPolarHBondContact O-CB 3.42Å; Q568-S572 PolarHBondContact O-N 3.42Å; Q568-S572 PolarHBondContact O-OG 3.5Å
569H94Very high93.5Very high129 Ų12992.6 Ų92.660%0.59750%0.498SS*.Hα-helixtrans-62.4-49.2173.3-79.7-57.5000111T565 I566 I571 S572 T573T565-H569 WeakPolarHBondContact O-CB 3.44Å; T565-H569 PolarHBondContact O-CD2 2.81Å; T565-H569 PolarHBondContact O-N 2.83Å; I566-H569 PolarHBondContact O-N 2.87Å; H569-I571 PolarHBondContact O-N 2.84Å; H569-S572 WeakPolarHBondContact CA-OG 3.46Å; H569-S572 PolarHBondContact O-N 3.15Å; H569-S572 PolarHBondContact O-OG 2.88Å; H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.21Å; H569-T573 PolarHBondContact O-OG1 3.43Å
570Q94.3Very high92.9Very high125 Ų12594.5 Ų94.558%0.58451%0.507SS*.Hα-helixtrans-57.3-48.5177-74.4-179.5-12.600111.9I566 S567 S572 T573 S574I566-Q570 HydrophobicContact CG2-CG 4.41Å; I566-Q570 WeakPolarHBondContact O-CB 3.24Å; I566-Q570 WeakPolarHBondContact O-CG 3.38Å; I566-Q570 PolarHBondContact O-N 2.75Å; S567-Q570 PolarHBondContact O-N 3.2Å; Q570-S572 PolarHBondContact O-N 2.87Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.43Å; Q570-T573 PolarHBondContact O-N 2.83Å; Q570-T573 PolarHBondContact O-OG1 3.48Å; Q570-S574 WeakPolarHBondContact O-CB 3.42Å; Q570-S574 PolarHBondContact O-N 2.95Å; Q570-S574 PolarHBondContact O-OG 3.34Å
571I94Very high92.4Very high95 Ų9595.7 Ų95.749%0.48751%0.512SS..Hα-helixtrans-60.8-45177.4-68.9163.6000110.9S567 H569 T573 S574 I575S567-I571 WeakPolarHBondContact O-CB 3.47Å; S567-I571 WeakPolarHBondContact O-CD1 3.15Å; S567-I571 WeakPolarHBondContact O-CG1 3.38Å; S567-I571 PolarHBondContact O-N 3.36Å; H569-I571 PolarHBondContact O-N 2.84Å; I571-T573 PolarHBondContact O-N 3.33Å; I571-S574 WeakPolarHBondContact CA-OG 3.47Å; I571-S574 PolarHBondContact O-N 2.87Å; I571-S574 PolarHBondContact O-OG 2.77Å; I571-I575 HydrophobicContact CG2-CD1 3.6Å; I571-I575 HydrophobicContact CG2-CG1 4.34Å; I571-I575 WeakPolarHBondContact O-CB 3.29Å; I571-I575 WeakPolarHBondContact O-CD1 3.44Å; I571-I575 WeakPolarHBondContact O-CG1 3.38Å; I571-I575 PolarHBondContact O-N 3.26Å
572S93.8Very high91.8Very high47 Ų4793.5 Ų93.533%0.32951%0.513SS..Hα-helixtrans-62.7-43.7178.670.40000111.7Q568 H569 Q570 I575 I576Q568-S572 VanDerWaalsContact O-CB 3.29Å; Q568-S572 WeakPolarHBondContact O-CB 3.42Å; Q568-S572 PolarHBondContact O-N 3.42Å; Q568-S572 PolarHBondContact O-OG 3.5Å; H569-S572 WeakPolarHBondContact CA-OG 3.46Å; H569-S572 PolarHBondContact O-N 3.15Å; H569-S572 PolarHBondContact O-OG 2.88Å; Q570-S572 PolarHBondContact O-N 2.87Å; S572-I575 PolarHBondContact O-N 2.97Å; S572-I576 WeakPolarHBondContact O-CD1 3.2Å; S572-I576 VanDerWaalsContact O-CG1 3.25Å; S572-I576 WeakPolarHBondContact O-CG1 3.25Å; S572-I576 PolarHBondContact O-N 3.31Å; S572-I576 VanDerWaalsContact O-N 3.09Å
573T92.3Very high91.5Very high79 Ų7993 Ų9349%0.48551%0.509SS..Hα-helixtrans-65.6-41.4176.456.70000111.8H569 Q570 I571 I575 I576 T577H569-T573 WeakPolarHBondContact O-CG2 3.34Å; H569-T573 PolarHBondContact O-N 3.21Å; H569-T573 PolarHBondContact O-OG1 3.43Å; Q570-T573 WeakPolarHBondContact CA-OG1 3.43Å; Q570-T573 PolarHBondContact O-N 2.83Å; Q570-T573 PolarHBondContact O-OG1 3.48Å; I571-T573 PolarHBondContact O-N 3.33Å; T573-I575 PolarHBondContact O-N 3.3Å; T573-I576 PolarHBondContact O-N 3.46Å; T573-T577 WeakPolarHBondContact O-CG2 3.45Å; T573-T577 PolarHBondContact O-N 3.48Å; T573-T577 PolarHBondContact O-OG1 3.09Å
574S94.2Very high91.1Very high58 Ų5895 Ų9541%0.40651%0.514SS..Hα-helixtrans-63.7-45.1178.866.80000111.1Q570 I571 I576 T577 S578Q570-S574 WeakPolarHBondContact O-CB 3.42Å; Q570-S574 PolarHBondContact O-N 2.95Å; Q570-S574 PolarHBondContact O-OG 3.34Å; I571-S574 WeakPolarHBondContact CA-OG 3.47Å; I571-S574 PolarHBondContact O-N 2.87Å; I571-S574 PolarHBondContact O-OG 2.77Å; S574-I576 VanDerWaalsContact C-N 3.33Å; S574-I576 PolarHBondContact O-N 2.83Å; S574-T577 WeakPolarHBondContact CA-OG1 3.46Å; S574-T577 PolarHBondContact O-N 3.09Å; S574-T577 PolarHBondContact O-OG1 3.15Å; S574-S578 WeakPolarHBondContact O-CB 3.47Å; S574-S578 PolarHBondContact O-N 2.88Å; S574-S578 PolarHBondContact O-OG 2.89Å; S574-S578 VanDerWaalsContact O-OG 3.09Å
575I92.4Very high90.8Very high92 Ų9298.3 Ų98.347%0.47253%0.529SS..Hα-helixtrans-60-43.5177.3-68165.4000110.9I571 S572 T573 T577 T579I571-I575 HydrophobicContact CG2-CD1 3.6Å; I571-I575 HydrophobicContact CG2-CG1 4.34Å; I571-I575 WeakPolarHBondContact O-CB 3.29Å; I571-I575 WeakPolarHBondContact O-CD1 3.44Å; I571-I575 WeakPolarHBondContact O-CG1 3.38Å; I571-I575 PolarHBondContact O-N 3.26Å; S572-I575 PolarHBondContact O-N 2.97Å; T573-I575 PolarHBondContact O-N 3.3Å; I575-T577 VanDerWaalsContact C-N 3.33Å; I575-T577 PolarHBondContact O-N 3.41Å; I575-T579 HydrophobicContact CG2-CG2 4.28Å; I575-T579 WeakPolarHBondContact O-CB 3.14Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.17Å; I575-T579 PolarHBondContact O-OG1 3.47Å
576I90.3Very high90.4Very high120 Ų120100.2 Ų100.262%0.61554%0.537SS*.Hα-helixtrans-63.9-40.2177.9-66.9163.5000110.8S572 T573 S574 T579S572-I576 WeakPolarHBondContact O-CD1 3.2Å; S572-I576 VanDerWaalsContact O-CG1 3.25Å; S572-I576 WeakPolarHBondContact O-CG1 3.25Å; S572-I576 PolarHBondContact O-N 3.31Å; S572-I576 VanDerWaalsContact O-N 3.09Å; T573-I576 PolarHBondContact O-N 3.46Å; S574-I576 VanDerWaalsContact C-N 3.33Å; S574-I576 PolarHBondContact O-N 2.83Å; I576-T579 PolarHBondContact O-OG1 3.28Å
577T87.7Confident89.9Confident99 Ų99100.2 Ų100.261%0.60753%0.532SS*.Hα-helixtrans-72.9-37.2179.558.30000113.6T573 S574 I575T573-T577 WeakPolarHBondContact O-CG2 3.45Å; T573-T577 PolarHBondContact O-N 3.48Å; T573-T577 PolarHBondContact O-OG1 3.09Å; S574-T577 WeakPolarHBondContact CA-OG1 3.46Å; S574-T577 PolarHBondContact O-N 3.09Å; S574-T577 PolarHBondContact O-OG1 3.15Å; I575-T577 VanDerWaalsContact C-N 3.33Å; I575-T577 PolarHBondContact O-N 3.41Å
578S87.1Confident89.4Confident90 Ų90104.9 Ų104.963%0.62955%0.546SS*.Hα-helixtrans-84-10.9-173.5680000114.3S574 Q580S574-S578 WeakPolarHBondContact O-CB 3.47Å; S574-S578 PolarHBondContact O-N 2.88Å; S574-S578 PolarHBondContact O-OG 2.89Å; S574-S578 VanDerWaalsContact O-OG 3.09Å; S578-Q580 PolarHBondContact O-N 2.98Å
579T86.5Confident89.1Confident93 Ų93102.4 Ų102.457%0.57154%0.537SS*.  trans-8036.6-178.544.70000113.4I575 I576I575-T579 HydrophobicContact CG2-CG2 4.28Å; I575-T579 WeakPolarHBondContact O-CB 3.14Å; I575-T579 WeakPolarHBondContact O-CG2 3.4Å; I575-T579 PolarHBondContact O-N 3.17Å; I575-T579 PolarHBondContact O-OG1 3.47Å; I576-T579 PolarHBondContact O-OG1 3.28Å
580Q82.8Confident88.7Confident113 Ų11399.2 Ų99.253%0.52853%0.529SS..  trans-81130.9174.4-60.1-61.8-27.800110.8S578 G582 Y587S578-Q580 PolarHBondContact O-N 2.98Å; Q580-G582 VanDerWaalsContact C-N 3.27Å; Q580-G582 PolarHBondContact O-N 3.28Å; Q580-Y587 HydrophobicContact CB-CE1 4.33Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.39Å; Q580-Y587 HydrophobicContact CG-CE1 4.44Å
581K83.3Confident88.3Confident169 Ų169100.1 Ų100.174%0.73553%0.531SS*.  trans-82.47.7-173.9-64.4-179.1-179.6177.60114.7M583K581-M583 HydrophobicContact CB-CE 3.64Å; K581-M583 HydrophobicContact CB-CG 4.5Å; K581-M583 HydrophobicContact CD-CE 3.6Å; K581-M583 HydrophobicContact CG-CE 4.25Å; K581-M583 PolarHBondContact O-N 3.44Å; K581-M583 VanDerWaalsContact O-N 3.17Å
582G83.9Confident87.9Confident50 Ų50102.1 Ų102.152%0.51554%0.536SS..  trans68.59.4179.500000115.7Q580 I584Q580-G582 VanDerWaalsContact C-N 3.27Å; Q580-G582 PolarHBondContact O-N 3.28Å; G582-I584 PolarHBondContact O-N 3.17Å
583M89.1Confident87.5Confident95 Ų95105.9 Ų105.947%0.46855%0.547SS..  trans-82.5114.8-177-70.5-172.1-93.800111.8K581 K585 L586 Y587K581-M583 HydrophobicContact CB-CE 3.64Å; K581-M583 HydrophobicContact CB-CG 4.5Å; K581-M583 HydrophobicContact CD-CE 3.6Å; K581-M583 HydrophobicContact CG-CE 4.25Å; K581-M583 PolarHBondContact O-N 3.44Å; K581-M583 VanDerWaalsContact O-N 3.17Å; M583-K585 PolarHBondContact O-N 3.41Å; M583-K585 VanDerWaalsContact O-N 3.13Å; M583-L586 HydrophobicContact CB-CD1 4.19Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 HydrophobicContact CE-CD1 3.77Å; M583-L586 PolarHBondContact O-N 3.06Å; M583-Y587 WeakPolarHBondContact O-CD2 3.29Å; M583-Y587 PolarHBondContact O-N 3.48Å
584I87.1Confident87.1Confident120 Ų120105.1 Ų105.162%0.61554%0.544SS*.Hα-helixtrans-51.3-38.9-179.8-63.2170.6000112.6G582 L586 Y587 F588G582-I584 PolarHBondContact O-N 3.17Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 2.69Å; I584-Y587 PolarHBondContact O-N 3.16Å; I584-F588 HydrophobicContact CG2-CD2 3.53Å; I584-F588 HydrophobicContact CG2-CE2 3.31Å; I584-F588 HydrophobicContact CG2-CZ 4.48Å; I584-F588 WeakPolarHBondContact O-CD2 3.47Å; I584-F588 PolarHBondContact O-N 3.38Å; I584-F588 VanDerWaalsContact O-N 3.08Å
585K89.4Confident86.6Confident171 Ų171107.3 Ų107.374%0.74355%0.55SS**Hα-helixtrans-57.2-42.3177.5-177.5178.3177.9179.50112.8M583 L589M583-K585 PolarHBondContact O-N 3.41Å; M583-K585 VanDerWaalsContact O-N 3.13Å; K585-L589 WeakPolarHBondContact O-CB 2.84Å; K585-L589 PolarHBondContact O-N 3.2Å
586L87.8Confident86.3Confident85 Ų85106.1 Ų106.145%0.44554%0.544SS..Hα-helixtrans-71.9-35.1-179.1-66.4175.2000111.1M583 I584 L589 S590M583-L586 HydrophobicContact CB-CD1 4.19Å; M583-L586 HydrophobicContact CB-CG 4.3Å; M583-L586 HydrophobicContact CE-CD1 3.77Å; M583-L586 PolarHBondContact O-N 3.06Å; I584-L586 VanDerWaalsContact C-N 3.33Å; I584-L586 PolarHBondContact O-N 2.69Å; L586-L589 PolarHBondContact O-N 2.9Å; L586-S590 WeakPolarHBondContact O-CB 3.42Å; L586-S590 PolarHBondContact O-N 3.08Å
587Y86.8Confident85.9Confident88 Ų88105.3 Ų105.335%0.34554%0.541SS..Hα-helixtrans-65.8-46.5176.2-65.9-54.3000112.5Q580 M583 I584 L589 S590 F591Q580-Y587 HydrophobicContact CB-CE1 4.33Å; Q580-Y587 WeakPolarHBondContact CB-OH 3.39Å; Q580-Y587 HydrophobicContact CG-CE1 4.44Å; M583-Y587 WeakPolarHBondContact O-CD2 3.29Å; M583-Y587 PolarHBondContact O-N 3.48Å; I584-Y587 PolarHBondContact O-N 3.16Å; Y587-L589 VanDerWaalsContact C-N 3.3Å; Y587-L589 PolarHBondContact O-N 3.43Å; Y587-S590 WeakPolarHBondContact CA-OG 3.17Å; Y587-S590 PolarHBondContact O-N 3.22Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 3.36Å; Y587-F591 WeakPolarHBondContact O-CD2 3.45Å; Y587-F591 PolarHBondContact O-N 2.98Å
588F86Confident85.8Confident146 Ų146103.9 Ų103.964%0.6453%0.532SS*.Hα-helixtrans-61.1-40.1175.5-79.4-62.3000112.6I584 S590 F591 F592I584-F588 HydrophobicContact CG2-CD2 3.53Å; I584-F588 HydrophobicContact CG2-CE2 3.31Å; I584-F588 HydrophobicContact CG2-CZ 4.48Å; I584-F588 WeakPolarHBondContact O-CD2 3.47Å; I584-F588 PolarHBondContact O-N 3.38Å; I584-F588 VanDerWaalsContact O-N 3.08Å; F588-S590 VanDerWaalsContact C-N 3.33Å; F588-S590 PolarHBondContact O-N 3.39Å; F588-F591 PolarHBondContact O-N 3.21Å; F588-F592 PolarHBondContact O-N 2.9Å; F588-F592 VanDerWaalsContact O-N 3.08Å
589L87.3Confident85.5Confident87 Ų87104.7 Ų104.746%0.45553%0.529SS..Hα-helixtrans-64.6-38.8176.6-162.1138.8000111.1K585 L586 Y587 F591 F592 F593K585-L589 WeakPolarHBondContact O-CB 2.84Å; K585-L589 PolarHBondContact O-N 3.2Å; L586-L589 PolarHBondContact O-N 2.9Å; Y587-L589 VanDerWaalsContact C-N 3.3Å; Y587-L589 PolarHBondContact O-N 3.43Å; L589-F591 VanDerWaalsContact C-N 3.31Å; L589-F591 PolarHBondContact O-N 3.13Å; L589-F592 PolarHBondContact O-N 3.33Å; L589-F593 HydrophobicContact CD2-CD2 3.8Å; L589-F593 HydrophobicContact CD2-CE2 3.5Å; L589-F593 VanDerWaalsContact CD2-CE2 3.5Å; L589-F593 HydrophobicContact CG-CD2 4.38Å; L589-F593 HydrophobicContact CG-CE2 4.16Å; L589-F593 WeakPolarHBondContact O-CD2 3.46Å; L589-F593 PolarHBondContact O-N 3.47Å
590S86.9Confident85.3Confident62 Ų62106.1 Ų106.143%0.43453%0.532SS..Hα-helixtrans-68.2-22.2174.375.70000114.6L586 Y587 F588 P594L586-S590 WeakPolarHBondContact O-CB 3.42Å; L586-S590 PolarHBondContact O-N 3.08Å; Y587-S590 WeakPolarHBondContact CA-OG 3.17Å; Y587-S590 PolarHBondContact O-N 3.22Å; Y587-S590 VanDerWaalsContact O-N 3.16Å; Y587-S590 PolarHBondContact O-OG 3.36Å; F588-S590 VanDerWaalsContact C-N 3.33Å; F588-S590 PolarHBondContact O-N 3.39Å; S590-P594 WeakPolarHBondContact O-CD 3.4Å; S590-P594 WeakPolarHBondContact O-CG 3.43Å
591F85.4Confident85.1Confident143 Ų143107 Ų10763%0.62754%0.54SS*.Hα-helixtrans-83.1-32.8171.7-73.5-57.6000112.5Y587 F588 L589 P594 L595Y587-F591 WeakPolarHBondContact O-CD2 3.45Å; Y587-F591 PolarHBondContact O-N 2.98Å; F588-F591 PolarHBondContact O-N 3.21Å; L589-F591 VanDerWaalsContact C-N 3.31Å; L589-F591 PolarHBondContact O-N 3.13Å; F591-P594 WeakPolarHBondContact O-CD 3.11Å; F591-P594 WeakPolarHBondContact O-CG 3.21Å; F591-L595 PolarHBondContact O-N 2.96Å
592F86.5Confident84.3Confident137 Ų137105.8 Ų105.860%0.60154%0.54SS*.Hα-helixtrans-69.9-40.6-179.1-169.4-111.3000112.7F588 L589 L595 I596F588-F592 PolarHBondContact O-N 2.9Å; F588-F592 VanDerWaalsContact O-N 3.08Å; L589-F592 PolarHBondContact O-N 3.33Å; F592-L595 PolarHBondContact O-N 3.24Å; F592-I596 HydrophobicContact CD1-CD1 3.55Å; F592-I596 HydrophobicContact CD1-CG1 4.45Å; F592-I596 HydrophobicContact CE1-CD1 3.16Å; F592-I596 HydrophobicContact CE1-CG1 4.18Å; F592-I596 HydrophobicContact CE2-CD1 4.44Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.66Å; F592-I596 HydrophobicContact CZ-CG1 4.29Å; F592-I596 PolarHBondContact O-N 2.83Å
593F84.6Confident82.9Confident126 Ų126110.8 Ų110.855%0.55356%0.56SS**Hα-helixtrans-57.7-54.2178.4-92.3-72.5000114.8L589 L595 I596 L597L589-F593 HydrophobicContact CD2-CD2 3.8Å; L589-F593 HydrophobicContact CD2-CE2 3.5Å; L589-F593 VanDerWaalsContact CD2-CE2 3.5Å; L589-F593 HydrophobicContact CG-CD2 4.38Å; L589-F593 HydrophobicContact CG-CE2 4.16Å; L589-F593 WeakPolarHBondContact O-CD2 3.46Å; L589-F593 PolarHBondContact O-N 3.47Å; F593-L595 PolarHBondContact O-N 2.99Å; F593-I596 PolarHBondContact O-N 3Å; F593-L597 WeakPolarHBondContact O-CB 3.38Å; F593-L597 PolarHBondContact O-N 3.5Å
594P83.9Confident82.6Confident64 Ų64111.6 Ų111.642%0.41657%0.565SS.*Hα-helixtrans-64.8-29.6177.923.1-30.8000111.8S590 F591 L597 T598S590-P594 WeakPolarHBondContact O-CD 3.4Å; S590-P594 WeakPolarHBondContact O-CG 3.43Å; F591-P594 WeakPolarHBondContact O-CD 3.11Å; F591-P594 WeakPolarHBondContact O-CG 3.21Å; P594-L597 CarbonylContact O-C 3.58Å; P594-L597 PolarHBondContact O-N 2.74Å; P594-T598 WeakPolarHBondContact O-CB 3.43Å; P594-T598 VanDerWaalsContact O-CG2 3.29Å; P594-T598 WeakPolarHBondContact O-CG2 3.41Å; P594-T598 PolarHBondContact O-N 3.22Å; P594-T598 PolarHBondContact O-OG1 3.28Å
595L84.1Confident82.4Confident104 Ų104111.1 Ų111.155%0.54556%0.562SS.*Hα-helixtrans-66-44.3177.2-144.2151.7000111.3F591 F592 F593 L597 T598 L599F591-L595 PolarHBondContact O-N 2.96Å; F592-L595 PolarHBondContact O-N 3.24Å; F593-L595 PolarHBondContact O-N 2.99Å; L595-L597 VanDerWaalsContact C-N 3.35Å; L595-T598 WeakPolarHBondContact CA-OG1 3.43Å; L595-T598 PolarHBondContact O-N 2.91Å; L595-T598 PolarHBondContact O-OG1 3.35Å; L595-L599 HydrophobicContact CD2-CD1 3.83Å; L595-L599 WeakPolarHBondContact O-CB 3.16Å; L595-L599 WeakPolarHBondContact O-CG 3.31Å; L595-L599 PolarHBondContact O-N 3.26Å
596I85.1Confident82Confident66 Ų66107.8 Ų107.834%0.33855%0.552SS.*Hα-helixtrans-61-44.9169.6-71.3169.2000110.9F592 F593 T598 L599 L600F592-I596 HydrophobicContact CD1-CD1 3.55Å; F592-I596 HydrophobicContact CD1-CG1 4.45Å; F592-I596 HydrophobicContact CE1-CD1 3.16Å; F592-I596 HydrophobicContact CE1-CG1 4.18Å; F592-I596 HydrophobicContact CE2-CD1 4.44Å; F592-I596 HydrophobicContact CG-CD1 4.36Å; F592-I596 HydrophobicContact CZ-CD1 3.66Å; F592-I596 HydrophobicContact CZ-CG1 4.29Å; F592-I596 PolarHBondContact O-N 2.83Å; F593-I596 PolarHBondContact O-N 3Å; I596-T598 VanDerWaalsContact C-N 3.33Å; I596-T598 PolarHBondContact O-N 3.05Å; I596-L599 PolarHBondContact O-N 3.3Å; I596-L600 HydrophobicContact CG2-CD1 3.7Å; I596-L600 WeakPolarHBondContact O-CB 3.49Å; I596-L600 PolarHBondContact O-N 3.08Å
597L82.8Confident81.6Confident104 Ų104109.1 Ų109.155%0.54556%0.559SS.*Hα-helixtrans-65.9-37.3-176.8-147.2125.8000111.6F593 P594 L595 L601F593-L597 WeakPolarHBondContact O-CB 3.38Å; F593-L597 PolarHBondContact O-N 3.5Å; P594-L597 CarbonylContact O-C 3.58Å; P594-L597 PolarHBondContact O-N 2.74Å; L595-L597 VanDerWaalsContact C-N 3.35Å; L597-L601 HydrophobicContact CD2-CD1 3.53Å; L597-L601 HydrophobicContact CG-CD1 4.37Å; L597-L601 VanDerWaalsContact O-CB 3.31Å; L597-L601 WeakPolarHBondContact O-CB 3.49Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.45Å
598T84.6Confident81.3Confident68 Ų68110.4 Ų110.442%0.41757%0.572SS.*Hα-helixtrans-68.8-40.9173.351.90000111.8P594 L595 I596 L600 L601 I602P594-T598 WeakPolarHBondContact O-CB 3.43Å; P594-T598 VanDerWaalsContact O-CG2 3.29Å; P594-T598 WeakPolarHBondContact O-CG2 3.41Å; P594-T598 PolarHBondContact O-N 3.22Å; P594-T598 PolarHBondContact O-OG1 3.28Å; L595-T598 WeakPolarHBondContact CA-OG1 3.43Å; L595-T598 PolarHBondContact O-N 2.91Å; L595-T598 PolarHBondContact O-OG1 3.35Å; I596-T598 VanDerWaalsContact C-N 3.33Å; I596-T598 PolarHBondContact O-N 3.05Å; T598-L600 VanDerWaalsContact C-N 3.33Å; T598-L600 PolarHBondContact O-N 3.33Å; T598-L601 PolarHBondContact O-N 3.49Å; T598-I602 WeakPolarHBondContact O-CB 3.39Å; T598-I602 WeakPolarHBondContact O-CD1 3.38Å; T598-I602 WeakPolarHBondContact O-CG1 3.38Å; T598-I602 PolarHBondContact O-N 2.97Å
599L82.3Confident81Confident108 Ų108108.1 Ų108.157%0.56557%0.567SS**Hα-helixtrans-61-44.7175.1-83.3157.8000110.9L595 I596 T603L595-L599 HydrophobicContact CD2-CD1 3.83Å; L595-L599 WeakPolarHBondContact O-CB 3.16Å; L595-L599 WeakPolarHBondContact O-CG 3.31Å; L595-L599 PolarHBondContact O-N 3.26Å; I596-L599 PolarHBondContact O-N 3.3Å; L599-T603 WeakPolarHBondContact O-CG2 3.46Å; L599-T603 PolarHBondContact O-N 3.08Å; L599-T603 VanDerWaalsContact O-N 3.08Å; L599-T603 PolarHBondContact O-OG1 2.91Å
600L81.6Confident80.6Confident122 Ų122109.6 Ų109.664%0.63958%0.575SS**Hα-helixtrans-69.8-26.4177.9-82164000114.7I596 T598I596-L600 HydrophobicContact CG2-CD1 3.7Å; I596-L600 WeakPolarHBondContact O-CB 3.49Å; I596-L600 PolarHBondContact O-N 3.08Å; T598-L600 VanDerWaalsContact C-N 3.33Å; T598-L600 PolarHBondContact O-N 3.33Å
601L78.4Confident80.1Confident132 Ų132113.2 Ų113.269%0.69159%0.586SS**Hα-helixtrans-91.5-19.9177.8-81.7164.6000113.2L597 T598L597-L601 HydrophobicContact CD2-CD1 3.53Å; L597-L601 HydrophobicContact CG-CD1 4.37Å; L597-L601 VanDerWaalsContact O-CB 3.31Å; L597-L601 WeakPolarHBondContact O-CB 3.49Å; L597-L601 WeakPolarHBondContact O-CG 3.36Å; L597-L601 PolarHBondContact O-N 3.45Å; T598-L601 PolarHBondContact O-N 3.49Å
602I67.3Low79.6Confident143 Ų143110.8 Ų110.873%0.73358%0.583SS**Hα-helixtrans-95.2-20.8-179.9-64.5168.2000111.2T598T598-I602 WeakPolarHBondContact O-CB 3.39Å; T598-I602 WeakPolarHBondContact O-CD1 3.38Å; T598-I602 WeakPolarHBondContact O-CG1 3.38Å; T598-I602 PolarHBondContact O-N 2.97Å
603T54.5Low79Confident155 Ų155108.4 Ų108.495%0.95158%0.581SS**  trans-83.30160.158.10000110.8L599L599-T603 WeakPolarHBondContact O-CG2 3.46Å; L599-T603 PolarHBondContact O-N 3.08Å; L599-T603 VanDerWaalsContact O-N 3.08Å; L599-T603 PolarHBondContact O-OG1 2.91Å

Retrieved 603 of 603 residues in 521.8 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).