A0A077ZHF0_TRITR Loading...

Polyprenyl synt domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHF0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M90.7Very high91.6Very high83 Ų8356.8 Ų56.841%0.40935%0.348SS..  0-48.50-64.1-43.4-7000114.6G3 V4 N5 R33 P36 M37 V40M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.93Å; M1-V4 HydrophobicContact CE-CB 4.48Å; M1-V4 WeakPolarHBondContact O-CA 3.28Å; M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 2.95Å; M1-V4 HydrophobicContact SD-CG2 4.39Å; M1-N5 PolarHBondContact O-N 3.29Å; M1-R33 HydrophobicContact CE-CB 3.91Å; M1-P36 HydrophobicContact CE-CB 3.96Å; M1-M37 HydrophobicContact CE-CG 4.11Å; M1-M37 HydrophobicContact CG-CG 4.4Å; M1-M37 HydrophobicContact SD-CG 3.88Å; M1-V40 HydrophobicContact SD-CG2 4.23Å
2A91.3Very high91.4Very high82 Ų8253.1 Ų53.168%0.67832%0.324SS*.Hα-helixtrans-53.2-45178.900000113.6V4 N5 A6A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 PolarHBondContact O-N 2.68Å; A2-N5 PolarHBondContact O-N 3.31Å; A2-A6 PolarHBondContact O-N 3.39Å
3G93.1Very high91.2Very high39 Ų3956.8 Ų56.840%0.40234%0.341SS..Hα-helixtrans-62.8-33.1174.400000114.2M1 A6 A7 V54M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 2.93Å; G3-A6 PolarHBondContact O-N 3.26Å; G3-A7 WeakPolarHBondContact O-CB 3.33Å; G3-A7 PolarHBondContact O-N 3.46Å; G3-V54 WeakPolarHBondContact O-CG1 3.48Å
4V94.1Very high91.2Very high2 Ų254.5 Ų54.51%0.01233%0.329CS..Hα-helixtrans-68-45.1176.1-179.10000110.4M1 A2 A6 A7 I8 P36 V40 V54 A57 A58M1-V4 HydrophobicContact CE-CB 4.48Å; M1-V4 WeakPolarHBondContact O-CA 3.28Å; M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 2.95Å; M1-V4 HydrophobicContact SD-CG2 4.39Å; A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 PolarHBondContact O-N 2.68Å; V4-A6 VanDerWaalsContact C-N 3.31Å; V4-A6 PolarHBondContact O-N 3.12Å; V4-A7 PolarHBondContact O-N 3.29Å; V4-I8 HydrophobicContact CG1-CD1 3.96Å; V4-I8 WeakPolarHBondContact O-CG1 3.31Å; V4-I8 PolarHBondContact O-N 2.83Å; V4-P36 HydrophobicContact CG1-CB 4.2Å; V4-V40 HydrophobicContact CG2-CG2 3.88Å; V4-V54 HydrophobicContact CG2-CG1 4.1Å; V4-A57 HydrophobicContact CG1-CB 3.88Å; V4-A57 HydrophobicContact CG2-CB 3.74Å; V4-A58 HydrophobicContact CG1-CB 4.36Å
5N91.4Very high91.3Very high73 Ų7362.8 Ų62.839%0.3937%0.37SS..Hα-helixtrans-62.7-39.8177-69-14.7000111.7M1 A2 I8 L9M1-N5 PolarHBondContact O-N 3.29Å; A2-N5 PolarHBondContact O-N 3.31Å; N5-I8 PolarHBondContact O-N 2.95Å; N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 2.76Å; N5-L9 VanDerWaalsContact O-N 3.1Å
6A91.8Very high91.4Very high57 Ų5763.9 Ų63.947%0.47138%0.378SS..Hα-helixtrans-62.8-46.8174.900000111.5A2 G3 V4 I8 L9 E10A2-A6 PolarHBondContact O-N 3.39Å; G3-A6 PolarHBondContact O-N 3.26Å; V4-A6 VanDerWaalsContact C-N 3.31Å; V4-A6 PolarHBondContact O-N 3.12Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.87Å; A6-L9 PolarHBondContact O-N 3.4Å; A6-E10 WeakPolarHBondContact O-CB 3.29Å; A6-E10 PolarHBondContact O-N 3.38Å
7A93.1Very high91.5Very high17 Ų1768.3 Ų68.314%0.1439%0.394CS..Hα-helixtrans-60.4-40.9176.600000112G3 V4 E10 Q11 V54 A58G3-A7 WeakPolarHBondContact O-CB 3.33Å; G3-A7 PolarHBondContact O-N 3.46Å; V4-A7 PolarHBondContact O-N 3.29Å; A7-E10 PolarHBondContact O-N 2.93Å; A7-Q11 WeakPolarHBondContact O-CB 3.5Å; A7-Q11 WeakPolarHBondContact O-CG 3.47Å; A7-Q11 PolarHBondContact O-N 2.69Å; A7-V54 HydrophobicContact CB-CG1 4.01Å; A7-A58 HydrophobicContact CB-CB 3.97Å
8I91.5Very high91.5Very high4 Ų468.4 Ų68.42%0.02139%0.392CS..Hα-helixtrans-60.2-48.8176.6-73165.6000111.1V4 N5 A6 E10 Q11 L12 V27 A58 E61 F62V4-I8 HydrophobicContact CG1-CD1 3.96Å; V4-I8 WeakPolarHBondContact O-CG1 3.31Å; V4-I8 PolarHBondContact O-N 2.83Å; N5-I8 PolarHBondContact O-N 2.95Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.87Å; I8-E10 VanDerWaalsContact C-N 3.33Å; I8-E10 PolarHBondContact O-N 3.05Å; I8-Q11 PolarHBondContact O-N 3.15Å; I8-L12 HydrophobicContact CG2-CD1 4.12Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.5Å; I8-V27 HydrophobicContact CG2-CG2 3.86Å; I8-A58 HydrophobicContact CG1-CB 3.83Å; I8-E61 HydrophobicContact CD1-CB 3.89Å; I8-E61 HydrophobicContact CD1-CG 3.85Å; I8-F62 HydrophobicContact CB-CE2 4.16Å; I8-F62 HydrophobicContact CG1-CD2 4.47Å; I8-F62 HydrophobicContact CG1-CE2 4.13Å; I8-F62 HydrophobicContact CG2-CE2 3.97Å
9L88.7Confident91.5Very high86 Ų8665.9 Ų65.945%0.4538%0.377SS..Hα-helixtrans-64.5-38.7179.8-70.3173.9000112.1N5 A6 L12 N13 V27N5-L9 WeakPolarHBondContact O-CG 3.4Å; N5-L9 PolarHBondContact O-N 2.76Å; N5-L9 VanDerWaalsContact O-N 3.1Å; A6-L9 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 3.45Å; L9-N13 PolarHBondContact O-ND2 2.9Å; L9-V27 HydrophobicContact CD2-CG1 4.21Å
10E90.8Very high91.4Very high130 Ų13065.6 Ų65.661%0.60737%0.374SS*.Hα-helixtrans-61.1-46.7177-175.1-179.6176.100111.5A6 A7 I8 L12 N13A6-E10 WeakPolarHBondContact O-CB 3.29Å; A6-E10 PolarHBondContact O-N 3.38Å; A7-E10 PolarHBondContact O-N 2.93Å; I8-E10 VanDerWaalsContact C-N 3.33Å; I8-E10 PolarHBondContact O-N 3.05Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.49Å; E10-N13 PolarHBondContact O-N 3.49Å; E10-N13 PolarHBondContact O-ND2 2.91Å; E10-N13 VanDerWaalsContact O-ND2 3.13Å
11Q91.7Very high91.3Very high52 Ų5266.9 Ų66.924%0.24338%0.377CS..Hα-helixtrans-74.2-18.6-175.7-65-60.7-38.900113.8A7 I8 N13 F62 M109A7-Q11 WeakPolarHBondContact O-CB 3.5Å; A7-Q11 WeakPolarHBondContact O-CG 3.47Å; A7-Q11 PolarHBondContact O-N 2.69Å; I8-Q11 PolarHBondContact O-N 3.15Å; Q11-N13 VanDerWaalsContact C-N 3.32Å; Q11-F62 HydrophobicContact CB-CE1 3.79Å; Q11-F62 HydrophobicContact CB-CE2 4.13Å; Q11-F62 HydrophobicContact CB-CZ 3.35Å; Q11-M109 HydrophobicContact CB-SD 4.21Å; Q11-M109 HydrophobicContact CG-CE 4.11Å; Q11-M109 HydrophobicContact CG-CG 4.27Å; Q11-M109 HydrophobicContact CG-SD 3.81Å
12L88.5Confident91.2Very high12 Ų1262.9 Ų62.96%0.06336%0.358CS..THydrogen-bonded Turntrans-79.1-12.6175-76.2174.2000113.8I8 L9 E10 S14 N20 V27 F62 I102I8-L12 HydrophobicContact CG2-CD1 4.12Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.45Å; E10-L12 VanDerWaalsContact C-N 3.31Å; E10-L12 PolarHBondContact O-N 3.49Å; L12-S14 PolarHBondContact O-N 3.3Å; L12-N20 PolarHBondContact O-OD1 2.96Å; L12-V27 HydrophobicContact CD1-CG2 3.38Å; L12-F62 HydrophobicContact CD2-CE1 4.07Å; L12-F62 HydrophobicContact CD2-CZ 3.8Å; L12-F62 HydrophobicContact CG-CE1 4.41Å; L12-F62 HydrophobicContact CG-CE2 4.31Å; L12-F62 HydrophobicContact CG-CZ 3.69Å; L12-I102 HydrophobicContact CD2-CD1 4.2Å; L12-I102 HydrophobicContact CD2-CG1 4.12Å
13N89Confident90.9Very high102 Ų10259 Ų5955%0.54533%0.326SS..  trans-67.1135.3-178.7-69-50.4000112.1L9 E10 Q11 R105L9-N13 PolarHBondContact O-ND2 2.9Å; E10-N13 PolarHBondContact O-N 3.49Å; E10-N13 PolarHBondContact O-ND2 2.91Å; E10-N13 VanDerWaalsContact O-ND2 3.13Å; Q11-N13 VanDerWaalsContact C-N 3.32Å; N13-R105 PolarHBondContact O-NH2 3.45Å
14S91.3Very high90.4Very high24 Ų2464.7 Ų64.717%0.16834%0.336CS..  trans-147.2152.7177.4-1760000111.2L12 V16 N20L12-S14 PolarHBondContact O-N 3.3Å; S14-V16 PolarHBondContact O-N 3.45Å; S14-V16 PolarHBondContact OG-N 2.97Å; S14-N20 PolarHBondContact N-OD1 2.92Å; S14-N20 PolarHBondContact O-ND2 3Å; S14-N20 PolarHBondContact O-OD1 3.15Å
15D92.1Very high90Very high179 Ų17967.6 Ų67.696%0.95735%0.347SS*.SBendtrans-70.3-15.3170.4-65.7-36.6000112
16V93.7Very high89.5Confident81 Ų8165.6 Ų65.649%0.49134%0.336SS..SBendtrans-87.6111.4176.9-177.40000109.7S14 L18 I19 N20S14-V16 PolarHBondContact O-N 3.45Å; S14-V16 PolarHBondContact OG-N 2.97Å; V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 HydrophobicContact CG1-CB 4.44Å; V16-L18 PolarHBondContact O-N 2.99Å; V16-I19 HydrophobicContact CB-CD1 3.95Å; V16-I19 HydrophobicContact CB-CG1 4.16Å; V16-I19 HydrophobicContact CG1-CD1 4.29Å; V16-I19 HydrophobicContact CG1-CG1 4.16Å; V16-I19 HydrophobicContact CG2-CD1 4.43Å; V16-I19 WeakPolarHBondContact O-CB 3.3Å; V16-I19 PolarHBondContact O-N 3.12Å; V16-I19 VanDerWaalsContact O-N 3.1Å; V16-N20 PolarHBondContact O-N 3.28Å
17Q92.8Very high88.9Confident138 Ų13864.3 Ų64.365%0.64532%0.322SS*.Hα-helixtrans-55.4-39.6-175-174.117812.800113.9I19 N20 Q21Q17-I19 VanDerWaalsContact C-N 3.28Å; Q17-I19 PolarHBondContact O-N 3.45Å; Q17-N20 PolarHBondContact O-N 3.33Å; Q17-Q21 HydrophobicContact CG-CG 4.31Å; Q17-Q21 WeakPolarHBondContact O-CG 3.46Å; Q17-Q21 PolarHBondContact O-N 2.96Å
18L90.9Very high88.2Confident70 Ų7065.8 Ų65.837%0.36633%0.332SS..Hα-helixtrans-59.7-39.6-179.8-179.561.4000111.9V16 Q21 L22 F90 A94V16-L18 VanDerWaalsContact C-N 3.3Å; V16-L18 HydrophobicContact CG1-CB 4.44Å; V16-L18 PolarHBondContact O-N 2.99Å; L18-Q21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 3.08Å; L18-F90 HydrophobicContact CD1-CD1 4.16Å; L18-A94 HydrophobicContact CD1-CB 4.46Å; L18-A94 HydrophobicContact CD2-CB 4.08Å
19I92.3Very high87.3Confident22 Ų2266.8 Ų66.811%0.11334%0.343CS..Hα-helixtrans-63.4-45.4177.6-65.6178.5000110.2V16 Q17 Q21 G23 V98 F101V16-I19 HydrophobicContact CB-CD1 3.95Å; V16-I19 HydrophobicContact CB-CG1 4.16Å; V16-I19 HydrophobicContact CG1-CD1 4.29Å; V16-I19 HydrophobicContact CG1-CG1 4.16Å; V16-I19 HydrophobicContact CG2-CD1 4.43Å; V16-I19 WeakPolarHBondContact O-CB 3.3Å; V16-I19 PolarHBondContact O-N 3.12Å; V16-I19 VanDerWaalsContact O-N 3.1Å; Q17-I19 VanDerWaalsContact C-N 3.28Å; Q17-I19 PolarHBondContact O-N 3.45Å; I19-Q21 PolarHBondContact O-N 2.92Å; I19-G23 PolarHBondContact O-N 3.16Å; I19-V98 HydrophobicContact CG1-CG2 4.26Å; I19-F101 HydrophobicContact CD1-CB 4.21Å; I19-F101 HydrophobicContact CD1-CD1 4.23Å; I19-F101 HydrophobicContact CD1-CD2 3.7Å; I19-F101 HydrophobicContact CD1-CE2 4.03Å; I19-F101 HydrophobicContact CD1-CG 3.78Å; I19-F101 HydrophobicContact CD1-CZ 4.41Å; I19-F101 HydrophobicContact CG2-CD1 3.44Å; I19-F101 VanDerWaalsContact CG2-CD1 3.44Å; I19-F101 HydrophobicContact CG2-CE1 3.31Å; I19-F101 HydrophobicContact CG2-CE2 4.49Å; I19-F101 HydrophobicContact CG2-CG 4.09Å; I19-F101 HydrophobicContact CG2-CZ 3.86Å
20N89.6Confident86.5Confident58 Ų5864.2 Ų64.231%0.3134%0.337SS..Hα-helixtrans-63.3-43.4178.1-65.7-29.8000112.1L12 S14 V16 Q17 Y24L12-N20 PolarHBondContact O-OD1 2.96Å; S14-N20 PolarHBondContact N-OD1 2.92Å; S14-N20 PolarHBondContact O-ND2 3Å; S14-N20 PolarHBondContact O-OD1 3.15Å; V16-N20 PolarHBondContact O-N 3.28Å; Q17-N20 PolarHBondContact O-N 3.33Å; N20-Y24 VanDerWaalsContact O-CB 3.28Å; N20-Y24 WeakPolarHBondContact O-CB 3.27Å; N20-Y24 PolarHBondContact O-N 3.26Å
21Q89.6Confident85.8Confident93 Ų9359.7 Ų59.744%0.43533%0.325SS..Hα-helixtrans-61.9-49.8179.9-75.1177.5-24.700111.3Q17 L18 I19 Y25 F90Q17-Q21 HydrophobicContact CG-CG 4.31Å; Q17-Q21 WeakPolarHBondContact O-CG 3.46Å; Q17-Q21 PolarHBondContact O-N 2.96Å; L18-Q21 PolarHBondContact O-N 3.25Å; I19-Q21 PolarHBondContact O-N 2.92Å; Q21-Y25 WeakPolarHBondContact O-CB 3.42Å; Q21-Y25 PolarHBondContact O-N 2.97Å; Q21-F90 HydrophobicContact CB-CE1 4.47Å
22L88.2Confident85.3Confident0 Ų062.3 Ų62.30%034%0.336CS..Hα-helixtrans-73.8-38.2-176.8-159.7144.8000111.4L18 Y24 Y25 I26 L69 A86 F90 A94 V98L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 3.08Å; L22-Y24 PolarHBondContact O-N 2.98Å; L22-Y25 WeakPolarHBondContact O-CB 3.38Å; L22-Y25 PolarHBondContact O-N 3.4Å; L22-I26 HydrophobicContact CD2-CD1 3.67Å; L22-I26 HydrophobicContact CD2-CG1 4.29Å; L22-I26 WeakPolarHBondContact O-CD1 3.47Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.44Å; L22-I26 VanDerWaalsContact O-N 3.08Å; L22-L69 HydrophobicContact CD2-CD1 3.94Å; L22-L69 HydrophobicContact CD2-CD2 3.73Å; L22-L69 HydrophobicContact CD2-CG 4.48Å; L22-A86 HydrophobicContact CD1-CB 4.33Å; L22-A86 HydrophobicContact CD2-CB 4.27Å; L22-A86 HydrophobicContact CG-CB 4.38Å; L22-F90 HydrophobicContact CD1-CB 3.74Å; L22-F90 HydrophobicContact CD1-CD1 4.43Å; L22-F90 HydrophobicContact CD1-CD2 3.75Å; L22-F90 HydrophobicContact CD1-CE2 4.48Å; L22-F90 HydrophobicContact CD1-CG 3.73Å; L22-F90 HydrophobicContact CG-CD2 4.16Å; L22-F90 HydrophobicContact CG-CE2 4.44Å; L22-A94 HydrophobicContact CD1-CB 4.21Å; L22-V98 HydrophobicContact CB-CG1 4.22Å; L22-V98 HydrophobicContact CB-CG2 4.14Å; L22-V98 HydrophobicContact CD1-CG2 4.23Å; L22-V98 HydrophobicContact CD2-CB 3.73Å; L22-V98 HydrophobicContact CD2-CG1 3.45Å; L22-V98 VanDerWaalsContact CD2-CG1 3.45Å; L22-V98 HydrophobicContact CD2-CG2 4.15Å; L22-V98 HydrophobicContact CG-CG1 4.37Å; L22-V98 HydrophobicContact CG-CG2 4.41Å
23G85.1Confident85.3Confident1 Ų163.4 Ų63.41%0.0134%0.339CS..Hα-helixtrans-59-46.6171.800000112.7I19 I26 V27I19-G23 PolarHBondContact O-N 3.16Å; G23-I26 PolarHBondContact O-N 3.16Å; G23-V27 WeakPolarHBondContact O-CG2 3.02Å; G23-V27 PolarHBondContact O-N 3.12Å; G23-V27 VanDerWaalsContact O-N 3.12Å
24Y82.9Confident85.5Confident158 Ų15859.4 Ų59.462%0.6232%0.318SS*.Hα-helixtrans-64.2-41.5175.2-174.4-93.6000111.9N20 L22 I26 V27 S28N20-Y24 VanDerWaalsContact O-CB 3.28Å; N20-Y24 WeakPolarHBondContact O-CB 3.27Å; N20-Y24 PolarHBondContact O-N 3.26Å; L22-Y24 PolarHBondContact O-N 2.98Å; Y24-I26 VanDerWaalsContact C-N 3.3Å; Y24-I26 PolarHBondContact O-N 2.86Å; Y24-V27 PolarHBondContact O-N 2.85Å; Y24-S28 WeakPolarHBondContact O-CB 3.22Å; Y24-S28 PolarHBondContact O-N 3.42Å; Y24-S28 PolarHBondContact O-OG 3.16Å
25Y85.7Confident85.7Confident63 Ų6359.5 Ų59.525%0.24731%0.314CS..Hα-helixtrans-52.7-49.7177.2-173.2-98.6000111.3Q21 L22 S28 G29 A84 F90Q21-Y25 WeakPolarHBondContact O-CB 3.42Å; Q21-Y25 PolarHBondContact O-N 2.97Å; L22-Y25 WeakPolarHBondContact O-CB 3.38Å; L22-Y25 PolarHBondContact O-N 3.4Å; Y25-S28 PolarHBondContact O-N 3.27Å; Y25-S28 PolarHBondContact O-OG 3.37Å; Y25-G29 PolarHBondContact O-N 3.46Å; Y25-G29 VanDerWaalsContact O-N 3.11Å; Y25-A84 WeakPolarHBondContact CE1-O 3.35Å; Y25-A84 PolarHBondContact OH-O 3.11Å; Y25-F90 HydrophobicContact CD1-CE2 4.16Å; Y25-F90 HydrophobicContact CD2-CE2 4.07Å; Y25-F90 HydrophobicContact CD2-CZ 4.4Å; Y25-F90 AromaticContact CG-CE2 3.87Å; Y25-F90 HydrophobicContact CG-CE2 3.87Å; Y25-F90 HydrophobicContact CG-CZ 4.43Å
26I80.4Confident85.9Confident30 Ų3051 Ų5115%0.15427%0.269CS..Hα-helixtrans-68.5-47.4-178.1-55.3154.5000111.7L22 G23 Y24 S28 G29 T65 L69 I102L22-I26 HydrophobicContact CD2-CD1 3.67Å; L22-I26 HydrophobicContact CD2-CG1 4.29Å; L22-I26 WeakPolarHBondContact O-CD1 3.47Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.44Å; L22-I26 VanDerWaalsContact O-N 3.08Å; G23-I26 PolarHBondContact O-N 3.16Å; Y24-I26 VanDerWaalsContact C-N 3.3Å; Y24-I26 PolarHBondContact O-N 2.86Å; I26-S28 PolarHBondContact O-N 3.19Å; I26-G29 WeakPolarHBondContact O-CA 3.39Å; I26-G29 PolarHBondContact O-N 3.43Å; I26-T65 HydrophobicContact CB-CG2 4.26Å; I26-T65 HydrophobicContact CD1-CG2 3.81Å; I26-T65 HydrophobicContact CG2-CG2 3.54Å; I26-L69 HydrophobicContact CD1-CD1 3.57Å; I26-L69 HydrophobicContact CD1-CD2 3.64Å; I26-L69 HydrophobicContact CD1-CG 3.75Å; I26-L69 HydrophobicContact CG1-CD2 4.05Å; I26-I102 HydrophobicContact CD1-CD1 4.24Å
27V79.1Confident86.1Confident30 Ų3049.9 Ų49.918%0.18226%0.259CS..Hα-helixtrans-62.6-36.8-179173.60000111.1I8 L9 L12 G23 Y24 G29 G30I8-V27 HydrophobicContact CG2-CG2 3.86Å; L9-V27 HydrophobicContact CD2-CG1 4.21Å; L12-V27 HydrophobicContact CD1-CG2 3.38Å; G23-V27 WeakPolarHBondContact O-CG2 3.02Å; G23-V27 PolarHBondContact O-N 3.12Å; G23-V27 VanDerWaalsContact O-N 3.12Å; Y24-V27 PolarHBondContact O-N 2.85Å; V27-G29 VanDerWaalsContact C-N 3.25Å; V27-G29 PolarHBondContact O-N 3.48Å; V27-G30 PolarHBondContact O-N 3.25Å
28S78Confident86.3Confident49 Ų4943.3 Ų43.334%0.34323%0.228SC..Hα-helixtrans-72.7-14.3174.881.60000113.8Y24 Y25 I26 G30 K83Y24-S28 WeakPolarHBondContact O-CB 3.22Å; Y24-S28 PolarHBondContact O-N 3.42Å; Y24-S28 PolarHBondContact O-OG 3.16Å; Y25-S28 PolarHBondContact O-N 3.27Å; Y25-S28 PolarHBondContact O-OG 3.37Å; I26-S28 PolarHBondContact O-N 3.19Å; S28-G30 PolarHBondContact O-N 3.07Å; S28-K83 PolarHBondContact O-NZ 3.01Å
29G72.8Confident86.6Confident24 Ų2440 Ų4025%0.24721%0.211CC..THydrogen-bonded Turntrans-66-6.3170.600000113.6Y25 I26 V27Y25-G29 PolarHBondContact O-N 3.46Å; Y25-G29 VanDerWaalsContact O-N 3.11Å; I26-G29 WeakPolarHBondContact O-CA 3.39Å; I26-G29 PolarHBondContact O-N 3.43Å; V27-G29 VanDerWaalsContact C-N 3.25Å; V27-G29 PolarHBondContact O-N 3.48Å
30G72.9Confident86.9Confident32 Ų3240 Ų4033%0.3321%0.212SC..  trans74.9-159.4-179.700000111.9V27 S28 R81V27-G30 PolarHBondContact O-N 3.25Å; S28-G30 PolarHBondContact O-N 3.07Å; G30-R81 PolarHBondContact O-NH1 3.35Å
31G75.4Confident87.3Confident35 Ų3538.4 Ų38.436%0.36120%0.203SC..  trans141.4146.1-177.700000111R33G31-R33 PolarHBondContact O-N 3.02Å
32K81.5Confident87.7Confident108 Ų10834 Ų3447%0.4718%0.183SC..  trans-69.7-11.2-178.5-62178.8-177.4174.20112.8I34 M37 R310K32-I34 HydrophobicContact CB-CD1 3.86Å; K32-I34 HydrophobicContact CB-CG1 3.74Å; K32-I34 HydrophobicContact CD-CD1 4.02Å; K32-I34 PolarHBondContact O-N 3.28Å; K32-M37 WeakPolarHBondContact O-CE 3.42Å; K32-R310 PolarHBondContact NZ-O 3.33Å
33R89Confident88.2Confident34 Ų3434 Ų3413%0.12818%0.183CC..  trans49.138.3-178-57.9-61.4-170.2-135.4-6.8113.1M1 G31 P36 M37 E61M1-R33 HydrophobicContact CE-CB 3.91Å; G31-R33 PolarHBondContact O-N 3.02Å; R33-P36 HydrophobicContact CB-CB 4.44Å; R33-P36 HydrophobicContact CB-CG 4.27Å; R33-P36 WeakPolarHBondContact O-CD 3.42Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.4Å; R33-M37 PolarHBondContact O-N 3.44Å; R33-E61 VanDerWaalsContact CD-OE1 3.22Å; R33-E61 WeakPolarHBondContact CD-OE1 3.45Å; R33-E61 IonicContact CZ-OE1 3.49Å; R33-E61 IonicContact NE-OE1 2.82Å; R33-E61 IonicContact NH1-OE1 3.83Å; R33-E61 PolarHBondContact NH1-OE1 3.15Å
34I92.8Very high88.8Confident19 Ų1937 Ų3710%0.09719%0.194CC..Hα-helixtrans-63-48.2-176.6-67.5171.4000111.3K32 M37 I38 F162 F194 L301K32-I34 HydrophobicContact CB-CD1 3.86Å; K32-I34 HydrophobicContact CB-CG1 3.74Å; K32-I34 HydrophobicContact CD-CD1 4.02Å; K32-I34 PolarHBondContact O-N 3.28Å; I34-M37 HydrophobicContact CB-CE 4.37Å; I34-M37 HydrophobicContact CG1-CE 3.92Å; I34-M37 WeakPolarHBondContact O-CB 3.41Å; I34-M37 PolarHBondContact O-N 3.08Å; I34-M37 VanDerWaalsContact O-N 3.09Å; I34-I38 HydrophobicContact CG2-CD1 4.07Å; I34-I38 WeakPolarHBondContact O-CG1 3.06Å; I34-I38 PolarHBondContact O-N 3.41Å; I34-F162 HydrophobicContact CG2-CE1 3.64Å; I34-F162 HydrophobicContact CG2-CZ 4.09Å; I34-F194 HydrophobicContact CD1-CD2 4.29Å; I34-F194 HydrophobicContact CD1-CE2 3.39Å; I34-F194 HydrophobicContact CD1-CZ 4.06Å; I34-L301 HydrophobicContact CG2-CD1 4.29Å; I34-L301 HydrophobicContact CG2-CD2 4.25Å
35R95.2Very high89.5Confident26 Ų2629.5 Ų29.510%0.09817%0.165CC..Hα-helixtrans-60.8-45.5180-55.4169.6172.479.3-0.4112.2M37 I38 A39 I60 H64 F162R35-M37 PolarHBondContact O-N 2.87Å; R35-I38 WeakPolarHBondContact O-CB 3.44Å; R35-I38 PolarHBondContact O-N 3.29Å; R35-A39 PolarHBondContact O-N 3.46Å; R35-A39 VanDerWaalsContact O-N 3.14Å; R35-I60 HydrophobicContact CB-CG2 3.49Å; R35-I60 VanDerWaalsContact CB-CG2 3.49Å; R35-I60 HydrophobicContact CG-CG2 4.49Å; R35-H64 PolarHBondContact NH1-CE1 2.98Å; R35-H64 PolarHBondContact NH1-NE2 2.85Å; R35-F162 HydrophobicContact CG-CD2 3.95Å; R35-F162 HydrophobicContact CG-CE1 4.4Å; R35-F162 HydrophobicContact CG-CE2 3.77Å; R35-F162 HydrophobicContact CG-CG 4.37Å; R35-F162 HydrophobicContact CG-CZ 3.98Å
36P96.4Very high90Very high0 Ų027.6 Ų27.60%016%0.159CC..Hα-helixtrans-59.5-39.2169.8-3136.8000114.8M1 V4 R33 I38 A39 V40 A57 E61M1-P36 HydrophobicContact CE-CB 3.96Å; V4-P36 HydrophobicContact CG1-CB 4.2Å; R33-P36 HydrophobicContact CB-CB 4.44Å; R33-P36 HydrophobicContact CB-CG 4.27Å; R33-P36 WeakPolarHBondContact O-CD 3.42Å; P36-I38 VanDerWaalsContact C-N 3.33Å; P36-A39 PolarHBondContact O-N 3.34Å; P36-V40 WeakPolarHBondContact O-CG2 3.42Å; P36-V40 PolarHBondContact O-N 3.27Å; P36-A57 HydrophobicContact CB-CB 4.08Å; P36-E61 WeakPolarHBondContact CD-OE2 3.3Å; P36-E61 HydrophobicContact CG-CB 3.86Å; P36-E61 HydrophobicContact CG-CG 4.17Å; P36-E61 WeakPolarHBondContact CG-OE2 3.4Å
37M96.8Very high90.7Very high58 Ų5828.9 Ų28.929%0.28618%0.18SC..Hα-helixtrans-62-43.1176.8-75.4-172.4-5900111M1 K32 R33 I34 R35 A39 V40 L41 L301M1-M37 HydrophobicContact CE-CG 4.11Å; M1-M37 HydrophobicContact CG-CG 4.4Å; M1-M37 HydrophobicContact SD-CG 3.88Å; K32-M37 WeakPolarHBondContact O-CE 3.42Å; R33-M37 VanDerWaalsContact O-CG 3.31Å; R33-M37 WeakPolarHBondContact O-CG 3.4Å; R33-M37 PolarHBondContact O-N 3.44Å; I34-M37 HydrophobicContact CB-CE 4.37Å; I34-M37 HydrophobicContact CG1-CE 3.92Å; I34-M37 WeakPolarHBondContact O-CB 3.41Å; I34-M37 PolarHBondContact O-N 3.08Å; I34-M37 VanDerWaalsContact O-N 3.09Å; R35-M37 PolarHBondContact O-N 2.87Å; M37-A39 PolarHBondContact O-N 3.48Å; M37-V40 PolarHBondContact O-N 3.5Å; M37-L41 WeakPolarHBondContact O-CB 3.24Å; M37-L41 VanDerWaalsContact O-CG 3.23Å; M37-L41 WeakPolarHBondContact O-CG 3.37Å; M37-L41 PolarHBondContact O-N 3.45Å; M37-L301 HydrophobicContact CE-CD1 4.24Å
38I97.8Very high91.6Very high0 Ų029.8 Ų29.80%018%0.181CC..Hα-helixtrans-56.8-50.2174.9-67.7164.9000110.5I34 R35 P36 V40 L41 A42 F162 A165 A166 Y186 L190 L301I34-I38 HydrophobicContact CG2-CD1 4.07Å; I34-I38 WeakPolarHBondContact O-CG1 3.06Å; I34-I38 PolarHBondContact O-N 3.41Å; R35-I38 WeakPolarHBondContact O-CB 3.44Å; R35-I38 PolarHBondContact O-N 3.29Å; P36-I38 VanDerWaalsContact C-N 3.33Å; I38-V40 VanDerWaalsContact C-N 3.32Å; I38-V40 PolarHBondContact O-N 3.23Å; I38-L41 PolarHBondContact O-N 3.39Å; I38-A42 WeakPolarHBondContact O-CB 3.39Å; I38-A42 PolarHBondContact O-N 2.86Å; I38-F162 HydrophobicContact CD1-CD1 3.18Å; I38-F162 HydrophobicContact CD1-CE1 3.57Å; I38-F162 HydrophobicContact CD1-CG 4.18Å; I38-A165 HydrophobicContact CG2-CB 4.41Å; I38-A166 HydrophobicContact CG2-CB 3.71Å; I38-Y186 HydrophobicContact CG1-CE1 4.43Å; I38-Y186 HydrophobicContact CG2-CE1 4.07Å; I38-L190 HydrophobicContact CD1-CD2 3.57Å; I38-L190 HydrophobicContact CG1-CD2 4.12Å; I38-L301 HydrophobicContact CD1-CD2 4.16Å; I38-L301 HydrophobicContact CG1-CD2 3.43Å; I38-L301 VanDerWaalsContact CG1-CD2 3.43Å
39A97.9Very high92.4Very high0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-58.2-43.2179.500000112.3R35 P36 M37 A43 I56 A57 A165 S169R35-A39 PolarHBondContact O-N 3.46Å; R35-A39 VanDerWaalsContact O-N 3.14Å; P36-A39 PolarHBondContact O-N 3.34Å; M37-A39 PolarHBondContact O-N 3.48Å; A39-A43 PolarHBondContact O-N 3Å; A39-I56 HydrophobicContact CB-CG2 4.03Å; A39-A57 HydrophobicContact CB-CB 3.91Å; A39-A165 HydrophobicContact CB-CB 4.44Å; A39-S169 VanDerWaalsContact C-OG 3.29Å; A39-S169 VanDerWaalsContact CA-OG 3.31Å; A39-S169 WeakPolarHBondContact CA-OG 3.44Å; A39-S169 VanDerWaalsContact O-CB 3.22Å; A39-S169 WeakPolarHBondContact O-CB 3.4Å; A39-S169 PolarHBondContact O-OG 2.97Å
40V97.8Very high93.4Very high21 Ų2136.1 Ų36.113%0.12721%0.206CC..Hα-helixtrans-66.9-48.6178176.20000111.2M1 V4 P36 M37 I38 A43 R44 A57M1-V40 HydrophobicContact SD-CG2 4.23Å; V4-V40 HydrophobicContact CG2-CG2 3.88Å; P36-V40 WeakPolarHBondContact O-CG2 3.42Å; P36-V40 PolarHBondContact O-N 3.27Å; M37-V40 PolarHBondContact O-N 3.5Å; I38-V40 VanDerWaalsContact C-N 3.32Å; I38-V40 PolarHBondContact O-N 3.23Å; V40-A43 PolarHBondContact O-N 3.48Å; V40-R44 WeakPolarHBondContact O-CG 3.42Å; V40-R44 PolarHBondContact O-N 2.97Å; V40-R44 VanDerWaalsContact O-N 3.16Å; V40-A57 HydrophobicContact CG2-CB 3.96Å
41L97.9Very high94.5Very high26 Ų2640.2 Ų40.214%0.13622%0.22CC..Hα-helixtrans-66.3-42.3-176.6-70175000111.8M37 I38 A43 R44 A45 W294 A297 L298M37-L41 WeakPolarHBondContact O-CB 3.24Å; M37-L41 VanDerWaalsContact O-CG 3.23Å; M37-L41 WeakPolarHBondContact O-CG 3.37Å; M37-L41 PolarHBondContact O-N 3.45Å; I38-L41 PolarHBondContact O-N 3.39Å; L41-A43 PolarHBondContact O-N 3.42Å; L41-R44 PolarHBondContact O-N 3.43Å; L41-A45 VanDerWaalsContact O-CB 3.32Å; L41-A45 WeakPolarHBondContact O-CB 3.39Å; L41-A45 PolarHBondContact O-N 3.44Å; L41-W294 HydrophobicContact CD2-CE3 3.71Å; L41-W294 HydrophobicContact CD2-CZ3 4.29Å; L41-A297 HydrophobicContact CD1-CB 4.05Å; L41-A297 HydrophobicContact CD2-CB 3.81Å; L41-L298 HydrophobicContact CB-CD2 3.48Å; L41-L298 VanDerWaalsContact CB-CD2 3.48Å; L41-L298 HydrophobicContact CB-CG 3.83Å; L41-L298 HydrophobicContact CD1-CD2 4.08Å; L41-L298 HydrophobicContact CD1-CG 4.48Å; L41-L298 HydrophobicContact CG-CD2 4.45Å
42A98.3Very high95.4Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-56.8-49.3176.500000111.7I38 R44 A45 V46 A166 L183I38-A42 WeakPolarHBondContact O-CB 3.39Å; I38-A42 PolarHBondContact O-N 2.86Å; A42-R44 VanDerWaalsContact C-N 3.35Å; A42-R44 PolarHBondContact O-N 2.89Å; A42-A45 PolarHBondContact O-N 3.32Å; A42-V46 PolarHBondContact O-N 2.92Å; A42-A166 HydrophobicContact CB-CB 4.47Å; A42-L183 HydrophobicContact CB-CD1 4.35Å; A42-L183 HydrophobicContact CB-CD2 3.67Å
43A98Very high96.1Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-61.7-42.6177.900000111.9A39 V40 L41 V46 Y48 H53A39-A43 PolarHBondContact O-N 3Å; V40-A43 PolarHBondContact O-N 3.48Å; L41-A43 PolarHBondContact O-N 3.42Å; A43-V46 VanDerWaalsContact O-CG2 3.28Å; A43-V46 WeakPolarHBondContact O-CG2 3.29Å; A43-Y48 HydrophobicContact CB-CD1 4.09Å; A43-Y48 HydrophobicContact CB-CG 4.47Å; A43-Y48 WeakPolarHBondContact O-CB 3.49Å; A43-Y48 PolarHBondContact O-N 3.24Å; A43-H53 HydrophobicContact CB-CB 3.49Å; A43-H53 VanDerWaalsContact CB-CB 3.49Å
44R97.7Very high96.5Very high64 Ų6434.7 Ų34.724%0.24220%0.195CC..Hα-helixtrans-69.8-32.6178.9-65.2-61.9-173.4-165.22.8112.9V40 L41 A42 V46 G47 Y48 E49 H53 W294V40-R44 WeakPolarHBondContact O-CG 3.42Å; V40-R44 PolarHBondContact O-N 2.97Å; V40-R44 VanDerWaalsContact O-N 3.16Å; L41-R44 PolarHBondContact O-N 3.43Å; A42-R44 VanDerWaalsContact C-N 3.35Å; A42-R44 PolarHBondContact O-N 2.89Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 3.37Å; R44-G47 PolarHBondContact O-N 3.18Å; R44-Y48 WeakPolarHBondContact CD-O 3.45Å; R44-Y48 PolarHBondContact NH1-O 3.32Å; R44-E49 PolarHBondContact NH1-O 2.84Å; R44-H53 PolarHBondContact NH2-CE1 2.86Å; R44-H53 VanDerWaalsContact NH2-CE1 3.28Å; R44-W294 HydrophobicContact CB-CB 4.1Å; R44-W294 HydrophobicContact CB-CD2 3.54Å; R44-W294 HydrophobicContact CB-CE3 4.12Å; R44-W294 HydrophobicContact CB-CG 3.5Å; R44-W294 HydrophobicContact CB-CZ2 4.45Å; R44-W294 HydrophobicContact CG-CD2 4.27Å; R44-W294 HydrophobicContact CG-CZ2 4.48Å; R44-W294 VanDerWaalsContact O-CD1 3.26Å
45A97.7Very high96.7Very high1 Ų135.6 Ų35.61%0.00820%0.201CC..Hα-helixtrans-65-3117900000113L41 A42 G47 L289 W294 L298L41-A45 VanDerWaalsContact O-CB 3.32Å; L41-A45 WeakPolarHBondContact O-CB 3.39Å; L41-A45 PolarHBondContact O-N 3.44Å; A42-A45 PolarHBondContact O-N 3.32Å; A45-G47 VanDerWaalsContact C-N 3.32Å; A45-L289 HydrophobicContact CB-CD1 4.12Å; A45-W294 HydrophobicContact CB-CB 3.93Å; A45-L298 HydrophobicContact CB-CD1 4.01Å
46V97Very high96.8Very high22 Ų2234.4 Ų34.413%0.13320%0.197CC..THydrogen-bonded Turntrans-92.514.6173.5-60.90000113.2A42 A43 R44 A173 C175 E179 L183 L289A42-V46 PolarHBondContact O-N 2.92Å; A43-V46 VanDerWaalsContact O-CG2 3.28Å; A43-V46 WeakPolarHBondContact O-CG2 3.29Å; R44-V46 VanDerWaalsContact C-N 3.28Å; R44-V46 PolarHBondContact O-N 3.37Å; V46-A173 HydrophobicContact CG2-CB 3.37Å; V46-C175 HydrophobicContact CB-CB 4.13Å; V46-C175 HydrophobicContact CG1-CB 3.92Å; V46-C175 HydrophobicContact CG2-CB 4.27Å; V46-E179 HydrophobicContact CG1-CB 4.32Å; V46-L183 HydrophobicContact CG1-CD1 4.06Å; V46-L289 HydrophobicContact CG1-CD2 3.82Å
47G95.9Very high96.8Very high58 Ų5834.4 Ų34.460%0.59820%0.197SC*.THydrogen-bonded Turntrans81.917.1172.700000115.9R44 A45 E49R44-G47 PolarHBondContact O-N 3.18Å; A45-G47 VanDerWaalsContact C-N 3.32Å; G47-E49 PolarHBondContact O-N 3.46Å
48Y96.7Very high96.8Very high49 Ų4931.6 Ų31.619%0.19218%0.183CC..  trans-66.9123.5178.5-170.1-122.5000112.2A43 R44 G50 A52 H53 A173A43-Y48 HydrophobicContact CB-CD1 4.09Å; A43-Y48 HydrophobicContact CB-CG 4.47Å; A43-Y48 WeakPolarHBondContact O-CB 3.49Å; A43-Y48 PolarHBondContact O-N 3.24Å; R44-Y48 WeakPolarHBondContact CD-O 3.45Å; R44-Y48 PolarHBondContact NH1-O 3.32Å; Y48-G50 VanDerWaalsContact CE1-O 3.24Å; Y48-G50 WeakPolarHBondContact CE1-O 3.24Å; Y48-A52 WeakPolarHBondContact OH-CB 3.11Å; Y48-A52 PolarHBondContact OH-N 3.24Å; Y48-H53 HydrophobicContact CD1-CB 4.09Å; Y48-H53 AromaticContact CD1-ND1 3.37Å; Y48-H53 WeakPolarHBondContact CD1-ND1 3.45Å; Y48-H53 HydrophobicContact CE1-CB 4.12Å; Y48-H53 AromaticContact CE1-ND1 3.4Å; Y48-H53 WeakPolarHBondContact CE1-ND1 3.4Å; Y48-A173 HydrophobicContact CD2-CB 3.95Å; Y48-A173 HydrophobicContact CG-CB 3.91Å
49E94.8Very high96.6Very high177 Ų17731.7 Ų31.783%0.82718%0.183SC*.  trans-98.1-18.8177.6-63.9-168.9159.200113.5R44 G47R44-E49 PolarHBondContact NH1-O 2.84Å; G47-E49 PolarHBondContact O-N 3.46Å
50G94.8Very high96.6Very high28 Ų2831.7 Ų31.729%0.28918%0.183SC..SBendtrans-71.5-174.5-179.300000114.3Y48 H53Y48-G50 VanDerWaalsContact CE1-O 3.24Å; Y48-G50 WeakPolarHBondContact CE1-O 3.24Å; G50-H53 PolarHBondContact O-CE1 2.95Å; G50-H53 PolarHBondContact O-ND1 3.42Å
51N94.8Very high96.4Very high118 Ų11831 Ų3163%0.63118%0.179SC*.SBendtrans-114.3-5.5-174.2-71.2-32.8000114.9H53 V54N51-H53 PolarHBondContact O-N 3.36Å; N51-H53 VanDerWaalsContact O-N 3.13Å; N51-V54 VanDerWaalsContact O-CB 3.23Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 WeakPolarHBondContact O-CG2 3.46Å; N51-V54 PolarHBondContact O-N 3.06Å
52A95.6Very high96.3Very high27 Ų2729.9 Ų29.922%0.22317%0.173CC..Hα-helixtrans-67.4-16.9-175.700000113.5Y48 V54 T55 I56 L113 L172Y48-A52 WeakPolarHBondContact OH-CB 3.11Å; Y48-A52 PolarHBondContact OH-N 3.24Å; A52-V54 PolarHBondContact O-N 3.19Å; A52-T55 WeakPolarHBondContact O-CB 3.17Å; A52-T55 PolarHBondContact O-N 3.14Å; A52-I56 PolarHBondContact O-N 3.06Å; A52-I56 VanDerWaalsContact O-N 3.16Å; A52-L113 HydrophobicContact CB-CD2 3.98Å; A52-L172 HydrophobicContact CB-CD1 3.99Å; A52-L172 HydrophobicContact CB-CD2 3.49Å; A52-L172 VanDerWaalsContact CB-CD2 3.49Å; A52-L172 HydrophobicContact CB-CG 4.18Å
53H95.5Very high96.2Very high6 Ų629.9 Ų29.93%0.02817%0.173CC..Hα-helixtrans-61.8-24.2169.868.6-86000112.4A43 R44 Y48 G50 N51 I56 A57A43-H53 HydrophobicContact CB-CB 3.49Å; A43-H53 VanDerWaalsContact CB-CB 3.49Å; R44-H53 PolarHBondContact NH2-CE1 2.86Å; R44-H53 VanDerWaalsContact NH2-CE1 3.28Å; Y48-H53 HydrophobicContact CD1-CB 4.09Å; Y48-H53 AromaticContact CD1-ND1 3.37Å; Y48-H53 WeakPolarHBondContact CD1-ND1 3.45Å; Y48-H53 HydrophobicContact CE1-CB 4.12Å; Y48-H53 AromaticContact CE1-ND1 3.4Å; Y48-H53 WeakPolarHBondContact CE1-ND1 3.4Å; G50-H53 PolarHBondContact O-CE1 2.95Å; G50-H53 PolarHBondContact O-ND1 3.42Å; N51-H53 PolarHBondContact O-N 3.36Å; N51-H53 VanDerWaalsContact O-N 3.13Å; H53-I56 PolarHBondContact O-N 2.93Å; H53-A57 WeakPolarHBondContact O-CB 3.46Å; H53-A57 PolarHBondContact O-N 3.21Å
54V96.9Very high96Very high28 Ų2830.9 Ų30.917%0.1718%0.177CC..Hα-helixtrans-65.6-42.3171.9178.20000110.5G3 V4 A7 N51 A52 A57 A58G3-V54 WeakPolarHBondContact O-CG1 3.48Å; V4-V54 HydrophobicContact CG2-CG1 4.1Å; A7-V54 HydrophobicContact CB-CG1 4.01Å; N51-V54 VanDerWaalsContact O-CB 3.23Å; N51-V54 WeakPolarHBondContact O-CB 3.43Å; N51-V54 WeakPolarHBondContact O-CG2 3.46Å; N51-V54 PolarHBondContact O-N 3.06Å; A52-V54 PolarHBondContact O-N 3.19Å; V54-A57 PolarHBondContact O-N 3.26Å; V54-A58 WeakPolarHBondContact O-CB 3.06Å; V54-A58 PolarHBondContact O-N 3.24Å
55T96.7Very high95.7Very high39 Ų3928.3 Ų28.324%0.23917%0.169CC..Hα-helixtrans-64.2-42175.7-54.90000110.9A52 A58 L59 M109 L113A52-T55 WeakPolarHBondContact O-CB 3.17Å; A52-T55 PolarHBondContact O-N 3.14Å; T55-A58 PolarHBondContact O-N 2.61Å; T55-L59 WeakPolarHBondContact O-CB 3.43Å; T55-L59 PolarHBondContact O-N 3.07Å; T55-M109 HydrophobicContact CG2-CB 4.07Å; T55-M109 HydrophobicContact CG2-CE 4.18Å; T55-M109 WeakPolarHBondContact O-CE 3.34Å; T55-L113 HydrophobicContact CG2-CD2 3.88Å; T55-L113 HydrophobicContact CG2-CG 4.13Å
56I97.2Very high95.5Very high0 Ų028.3 Ų28.30%017%0.169CC..Hα-helixtrans-61.1-48.9173.6-66-177.4000111.1A39 A52 H53 A58 L59 I60 L113 C168 L172A39-I56 HydrophobicContact CB-CG2 4.03Å; A52-I56 PolarHBondContact O-N 3.06Å; A52-I56 VanDerWaalsContact O-N 3.16Å; H53-I56 PolarHBondContact O-N 2.93Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 3.31Å; I56-L59 WeakPolarHBondContact O-CB 3.42Å; I56-L59 PolarHBondContact O-N 2.64Å; I56-I60 HydrophobicContact CG2-CG1 4.22Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.17Å; I56-I60 PolarHBondContact O-N 3.24Å; I56-L113 HydrophobicContact CD1-CD1 4.38Å; I56-L113 HydrophobicContact CG1-CD1 3.68Å; I56-L113 HydrophobicContact CG1-CD2 4.18Å; I56-C168 HydrophobicContact CD1-CB 4.13Å; I56-C168 VanDerWaalsContact CD1-O 3.3Å; I56-C168 WeakPolarHBondContact CD1-O 3.43Å; I56-C168 HydrophobicContact CG2-CB 4.23Å; I56-L172 HydrophobicContact CD1-CB 3.62Å; I56-L172 HydrophobicContact CD1-CD2 3.37Å; I56-L172 HydrophobicContact CD1-CG 4.04Å; I56-L172 HydrophobicContact CG1-CD2 3.99Å
57A97.4Very high95.3Very high0 Ų027.8 Ų27.80%017%0.166CC..Hα-helixtrans-60.1-41.8-179.600000112.2V4 P36 A39 V40 H53 V54 E61V4-A57 HydrophobicContact CG1-CB 3.88Å; V4-A57 HydrophobicContact CG2-CB 3.74Å; P36-A57 HydrophobicContact CB-CB 4.08Å; A39-A57 HydrophobicContact CB-CB 3.91Å; V40-A57 HydrophobicContact CG2-CB 3.96Å; H53-A57 WeakPolarHBondContact O-CB 3.46Å; H53-A57 PolarHBondContact O-N 3.21Å; V54-A57 PolarHBondContact O-N 3.26Å; A57-E61 PolarHBondContact O-N 3.04Å
58A95.8Very high95Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-69.6-40.7176.500000112V4 A7 I8 V54 T55 I56 I60 E61 F62 M109V4-A58 HydrophobicContact CG1-CB 4.36Å; A7-A58 HydrophobicContact CB-CB 3.97Å; I8-A58 HydrophobicContact CG1-CB 3.83Å; V54-A58 WeakPolarHBondContact O-CB 3.06Å; V54-A58 PolarHBondContact O-N 3.24Å; T55-A58 PolarHBondContact O-N 2.61Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 3.31Å; A58-I60 PolarHBondContact O-N 3Å; A58-E61 PolarHBondContact O-N 3.12Å; A58-F62 VanDerWaalsContact O-CD2 3.24Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 PolarHBondContact O-N 3.01Å; A58-M109 HydrophobicContact CB-CE 3.5Å
59L95.5Very high94.8Very high1 Ų124 Ų241%0.00514%0.135CC..Hα-helixtrans-55.6-50.1173.7159.967000111.6T55 I56 E61 F62 I63 A106 M109 M110 M122T55-L59 WeakPolarHBondContact O-CB 3.43Å; T55-L59 PolarHBondContact O-N 3.07Å; I56-L59 WeakPolarHBondContact O-CB 3.42Å; I56-L59 PolarHBondContact O-N 2.64Å; L59-E61 VanDerWaalsContact C-N 3.26Å; L59-E61 PolarHBondContact O-N 3.48Å; L59-F62 WeakPolarHBondContact O-CB 3.41Å; L59-F62 PolarHBondContact O-N 3.05Å; L59-F62 VanDerWaalsContact O-N 3.07Å; L59-I63 HydrophobicContact CD1-CG1 4.21Å; L59-I63 PolarHBondContact O-N 2.86Å; L59-A106 HydrophobicContact CD1-CB 3.43Å; L59-A106 VanDerWaalsContact CD1-CB 3.43Å; L59-A106 WeakPolarHBondContact CD1-O 3.32Å; L59-M109 HydrophobicContact CB-CB 4.37Å; L59-M109 HydrophobicContact CB-CE 4.14Å; L59-M109 HydrophobicContact CD1-CB 4.49Å; L59-M109 VanDerWaalsContact N-CE 3.33Å; L59-M110 HydrophobicContact CD1-CE 4.04Å; L59-M110 HydrophobicContact CD1-CG 3.62Å; L59-M110 HydrophobicContact CD1-SD 4.42Å; L59-M110 HydrophobicContact CD2-CB 4.49Å; L59-M110 HydrophobicContact CD2-CG 3.35Å; L59-M110 HydrophobicContact CD2-SD 4.42Å; L59-M110 HydrophobicContact CG-CG 4.12Å; L59-M122 HydrophobicContact CD2-CE 4.39Å; L59-M122 HydrophobicContact CD2-CG 4.31Å; L59-M122 HydrophobicContact CG-CE 4.48Å
60I96.7Very high94.7Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-60.4-40.4179.6-69.4-68000110.6R35 I56 A58 F62 I63 H64 M122 L161 A165R35-I60 HydrophobicContact CB-CG2 3.49Å; R35-I60 VanDerWaalsContact CB-CG2 3.49Å; R35-I60 HydrophobicContact CG-CG2 4.49Å; I56-I60 HydrophobicContact CG2-CG1 4.22Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.17Å; I56-I60 PolarHBondContact O-N 3.24Å; A58-I60 PolarHBondContact O-N 3Å; I60-F62 VanDerWaalsContact C-N 3.32Å; I60-F62 PolarHBondContact O-N 3.07Å; I60-I63 PolarHBondContact O-N 3.44Å; I60-H64 WeakPolarHBondContact O-CB 3.29Å; I60-H64 PolarHBondContact O-N 2.81Å; I60-M122 HydrophobicContact CD1-CE 3.75Å; I60-M122 HydrophobicContact CD1-SD 3.77Å; I60-L161 HydrophobicContact CD1-CD1 3.73Å; I60-L161 HydrophobicContact CG2-CD1 4.39Å; I60-L161 HydrophobicContact CG2-CG 4.21Å; I60-A165 HydrophobicContact CB-CB 4.49Å; I60-A165 HydrophobicContact CD1-CB 3.87Å; I60-A165 HydrophobicContact CG1-CB 3.84Å; I60-A165 HydrophobicContact CG2-CB 3.96Å
61E94.9Very high94.5Very high7 Ų717 Ų173%0.03310%0.095CC..Hα-helixtrans-66.9-33.9175.8-160.862.5-173.300112.3I8 R33 P36 A57 A58 L59 T65I8-E61 HydrophobicContact CD1-CB 3.89Å; I8-E61 HydrophobicContact CD1-CG 3.85Å; R33-E61 VanDerWaalsContact CD-OE1 3.22Å; R33-E61 WeakPolarHBondContact CD-OE1 3.45Å; R33-E61 IonicContact CZ-OE1 3.49Å; R33-E61 IonicContact NE-OE1 2.82Å; R33-E61 IonicContact NH1-OE1 3.83Å; R33-E61 PolarHBondContact NH1-OE1 3.15Å; P36-E61 WeakPolarHBondContact CD-OE2 3.3Å; P36-E61 HydrophobicContact CG-CB 3.86Å; P36-E61 HydrophobicContact CG-CG 4.17Å; P36-E61 WeakPolarHBondContact CG-OE2 3.4Å; A57-E61 PolarHBondContact O-N 3.04Å; A58-E61 PolarHBondContact O-N 3.12Å; L59-E61 VanDerWaalsContact C-N 3.26Å; L59-E61 PolarHBondContact O-N 3.48Å; E61-T65 WeakPolarHBondContact O-CB 3.2Å; E61-T65 PolarHBondContact O-N 3.5Å; E61-T65 PolarHBondContact O-OG1 3.34Å
62F94.5Very high94.1Very high3 Ų311.7 Ų11.71%0.0137%0.067CC..Hα-helixtrans-65.3-48.2175-90.6-127.9000111.2I8 Q11 L12 A58 L59 I60 H64 T65 A66 I102 R105 A106 M109I8-F62 HydrophobicContact CB-CE2 4.16Å; I8-F62 HydrophobicContact CG1-CD2 4.47Å; I8-F62 HydrophobicContact CG1-CE2 4.13Å; I8-F62 HydrophobicContact CG2-CE2 3.97Å; Q11-F62 HydrophobicContact CB-CE1 3.79Å; Q11-F62 HydrophobicContact CB-CE2 4.13Å; Q11-F62 HydrophobicContact CB-CZ 3.35Å; L12-F62 HydrophobicContact CD2-CE1 4.07Å; L12-F62 HydrophobicContact CD2-CZ 3.8Å; L12-F62 HydrophobicContact CG-CE1 4.41Å; L12-F62 HydrophobicContact CG-CE2 4.31Å; L12-F62 HydrophobicContact CG-CZ 3.69Å; A58-F62 VanDerWaalsContact O-CD2 3.24Å; A58-F62 WeakPolarHBondContact O-CD2 3.38Å; A58-F62 PolarHBondContact O-N 3.01Å; L59-F62 WeakPolarHBondContact O-CB 3.41Å; L59-F62 PolarHBondContact O-N 3.05Å; L59-F62 VanDerWaalsContact O-N 3.07Å; I60-F62 VanDerWaalsContact C-N 3.32Å; I60-F62 PolarHBondContact O-N 3.07Å; F62-H64 VanDerWaalsContact C-N 3.32Å; F62-H64 PolarHBondContact O-N 2.65Å; F62-T65 PolarHBondContact O-N 3.17Å; F62-T65 VanDerWaalsContact O-N 3.1Å; F62-A66 WeakPolarHBondContact O-CB 3.41Å; F62-A66 PolarHBondContact O-N 3.42Å; F62-I102 HydrophobicContact CB-CG2 3.8Å; F62-I102 HydrophobicContact CD1-CB 4.43Å; F62-I102 HydrophobicContact CD1-CG2 3.59Å; F62-I102 HydrophobicContact CE1-CG2 4.36Å; F62-I102 HydrophobicContact CG-CG2 3.87Å; F62-I102 WeakPolarHBondContact O-CG2 3.38Å; F62-R105 HydrophobicContact CD1-CB 3.88Å; F62-R105 HydrophobicContact CE1-CB 3.77Å; F62-R105 HydrophobicContact CE1-CG 4.43Å; F62-A106 HydrophobicContact CB-CB 4.01Å; F62-M109 HydrophobicContact CD1-SD 4.4Å; F62-M109 HydrophobicContact CG-SD 4.43Å
63I95.6Very high93.9Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-59.3-45.6176-61.9-63000110.5L59 I60 T65 A66 T67 Y103 A106 M110 M122 V126 I129 L161L59-I63 HydrophobicContact CD1-CG1 4.21Å; L59-I63 PolarHBondContact O-N 2.86Å; I60-I63 PolarHBondContact O-N 3.44Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 3.12Å; I63-A66 PolarHBondContact O-N 2.96Å; I63-T67 WeakPolarHBondContact O-CG2 3.09Å; I63-T67 PolarHBondContact O-N 3.39Å; I63-T67 PolarHBondContact O-OG1 3.24Å; I63-T67 VanDerWaalsContact O-OG1 3.06Å; I63-Y103 HydrophobicContact CD1-CD1 3.52Å; I63-Y103 HydrophobicContact CD1-CE1 3.58Å; I63-Y103 HydrophobicContact CG2-CE1 4.17Å; I63-A106 HydrophobicContact CD1-CB 3.45Å; I63-A106 VanDerWaalsContact CD1-CB 3.45Å; I63-A106 HydrophobicContact CG1-CB 3.96Å; I63-M110 HydrophobicContact CD1-CE 4.38Å; I63-M122 HydrophobicContact CG1-CE 4.27Å; I63-V126 HydrophobicContact CD1-CG2 3.88Å; I63-V126 HydrophobicContact CG1-CG2 4.35Å; I63-V126 HydrophobicContact CG2-CG2 4.09Å; I63-I129 HydrophobicContact CG2-CD1 4.49Å; I63-L161 HydrophobicContact CB-CD1 4.24Å; I63-L161 HydrophobicContact CB-CD2 4.46Å; I63-L161 HydrophobicContact CG2-CD1 3.86Å; I63-L161 HydrophobicContact CG2-CD2 4.09Å
64H94.2Very high93.6Very high20 Ų2015.5 Ų15.59%0.0939%0.087CC..Hα-helixtrans-61.6-38.5174.9-179.940.5000112.4R35 I60 F62 T67 L68 L161R35-H64 PolarHBondContact NH1-CE1 2.98Å; R35-H64 PolarHBondContact NH1-NE2 2.85Å; I60-H64 WeakPolarHBondContact O-CB 3.29Å; I60-H64 PolarHBondContact O-N 2.81Å; F62-H64 VanDerWaalsContact C-N 3.32Å; F62-H64 PolarHBondContact O-N 2.65Å; H64-T67 VanDerWaalsContact C-OG1 3.29Å; H64-T67 WeakPolarHBondContact CA-OG1 3.19Å; H64-T67 PolarHBondContact O-OG1 3.2Å; H64-L68 VanDerWaalsContact O-CG 3.26Å; H64-L68 WeakPolarHBondContact O-CG 3.15Å; H64-L68 PolarHBondContact O-N 3.35Å; H64-L68 VanDerWaalsContact O-N 3.16Å; H64-L161 HydrophobicContact CB-CD2 3.84Å
65T91.9Very high92.9Very high11 Ų1116.3 Ų16.37%0.0679%0.091CC..Hα-helixtrans-69.1-39.9179.7-630000111.6I26 E61 F62 I63 L68 L69 I102I26-T65 HydrophobicContact CB-CG2 4.26Å; I26-T65 HydrophobicContact CD1-CG2 3.81Å; I26-T65 HydrophobicContact CG2-CG2 3.54Å; E61-T65 WeakPolarHBondContact O-CB 3.2Å; E61-T65 PolarHBondContact O-N 3.5Å; E61-T65 PolarHBondContact O-OG1 3.34Å; F62-T65 PolarHBondContact O-N 3.17Å; F62-T65 VanDerWaalsContact O-N 3.1Å; I63-T65 VanDerWaalsContact C-N 3.3Å; I63-T65 PolarHBondContact O-N 3.12Å; T65-L68 PolarHBondContact O-N 2.78Å; T65-L69 PolarHBondContact O-N 3.1Å; T65-I102 HydrophobicContact CG2-CD1 3.9Å
66A93.6Very high92.2Very high0 Ų021.9 Ų21.90%011%0.114CC..Hα-helixtrans-67-44.4178.800000111.9F62 I63 L68 L69 H70 I102 Y103F62-A66 WeakPolarHBondContact O-CB 3.41Å; F62-A66 PolarHBondContact O-N 3.42Å; I63-A66 PolarHBondContact O-N 2.96Å; A66-L68 PolarHBondContact O-N 3.31Å; A66-L69 WeakPolarHBondContact O-CB 3.44Å; A66-L69 PolarHBondContact O-N 3.38Å; A66-L69 VanDerWaalsContact O-N 3.17Å; A66-H70 PolarHBondContact O-N 3.35Å; A66-H70 VanDerWaalsContact O-N 3.09Å; A66-I102 HydrophobicContact CB-CB 4.17Å; A66-I102 HydrophobicContact CB-CG2 3.93Å; A66-Y103 HydrophobicContact CB-CD1 4.49Å; A66-Y103 HydrophobicContact CB-CD2 3.37Å; A66-Y103 HydrophobicContact CB-CE2 3.46Å; A66-Y103 VanDerWaalsContact CB-CE2 3.46Å; A66-Y103 HydrophobicContact CB-CG 3.92Å
67T92.7Very high91.2Very high12 Ų1223 Ų237%0.07412%0.122CC..Hα-helixtrans-55.1-50.5172.845.60000111I63 H64 L69 H70 D71 Y103 I129I63-T67 WeakPolarHBondContact O-CG2 3.09Å; I63-T67 PolarHBondContact O-N 3.39Å; I63-T67 PolarHBondContact O-OG1 3.24Å; I63-T67 VanDerWaalsContact O-OG1 3.06Å; H64-T67 VanDerWaalsContact C-OG1 3.29Å; H64-T67 WeakPolarHBondContact CA-OG1 3.19Å; H64-T67 PolarHBondContact O-OG1 3.2Å; T67-L69 VanDerWaalsContact C-N 3.27Å; T67-L69 PolarHBondContact O-N 3.42Å; T67-L69 VanDerWaalsContact O-N 3.16Å; T67-H70 PolarHBondContact O-N 2.59Å; T67-D71 WeakPolarHBondContact O-CB 3.39Å; T67-D71 PolarHBondContact O-N 3.47Å; T67-Y103 WeakPolarHBondContact CG2-OH 3.41Å; T67-I129 HydrophobicContact CG2-CG2 3.85Å
68L90.2Very high90.4Very high23 Ų2328.5 Ų28.512%0.1215%0.151CC..Hα-helixtrans-55.7-38.3177.6-70.6177.9000114.1H64 T65 A66 D72H64-L68 VanDerWaalsContact O-CG 3.26Å; H64-L68 WeakPolarHBondContact O-CG 3.15Å; H64-L68 PolarHBondContact O-N 3.35Å; H64-L68 VanDerWaalsContact O-N 3.16Å; T65-L68 PolarHBondContact O-N 2.78Å; A66-L68 PolarHBondContact O-N 3.31Å; L68-D72 VanDerWaalsContact O-CB 3.32Å; L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.38Å
69L91.5Very high89.4Confident4 Ų434 Ų342%0.02118%0.178CC..Hα-helixtrans-68.6-37.3177.5-76.3174.5000113.1L22 I26 T65 A66 T67 V73 A86 V98 I102L22-L69 HydrophobicContact CD2-CD1 3.94Å; L22-L69 HydrophobicContact CD2-CD2 3.73Å; L22-L69 HydrophobicContact CD2-CG 4.48Å; I26-L69 HydrophobicContact CD1-CD1 3.57Å; I26-L69 HydrophobicContact CD1-CD2 3.64Å; I26-L69 HydrophobicContact CD1-CG 3.75Å; I26-L69 HydrophobicContact CG1-CD2 4.05Å; T65-L69 PolarHBondContact O-N 3.1Å; A66-L69 WeakPolarHBondContact O-CB 3.44Å; A66-L69 PolarHBondContact O-N 3.38Å; A66-L69 VanDerWaalsContact O-N 3.17Å; T67-L69 VanDerWaalsContact C-N 3.27Å; T67-L69 PolarHBondContact O-N 3.42Å; T67-L69 VanDerWaalsContact O-N 3.16Å; L69-V73 WeakPolarHBondContact O-CG2 3.37Å; L69-A86 HydrophobicContact CD2-CB 3.33Å; L69-V98 HydrophobicContact CD1-CG1 4.24Å; L69-I102 HydrophobicContact CD1-CD1 3.87Å
70H93.2Very high88.3Confident40 Ų4037.9 Ų37.919%0.18519%0.193CC..Hα-helixtrans-73.8-45.2178.4-67.6179.8000110A66 T67 D72 V73 V74 V96 D100 Y103A66-H70 PolarHBondContact O-N 3.35Å; A66-H70 VanDerWaalsContact O-N 3.09Å; T67-H70 PolarHBondContact O-N 2.59Å; H70-D72 PolarHBondContact O-N 2.97Å; H70-V73 WeakPolarHBondContact O-CB 3.46Å; H70-V73 PolarHBondContact O-N 3.12Å; H70-V74 WeakPolarHBondContact O-CG2 3.22Å; H70-V74 PolarHBondContact O-N 2.81Å; H70-V96 PolarHBondContact NE2-O 2.8Å; H70-V96 VanDerWaalsContact NE2-O 3.14Å; H70-D100 IonicContact CE1-OD1 2.62Å; H70-D100 PolarHBondContact CE1-OD1 3.2Å; H70-D100 VanDerWaalsContact CE1-OD1 3.24Å; H70-D100 IonicContact NE2-OD1 3.67Å; H70-D100 PolarHBondContact NE2-OD1 3.1Å; H70-Y103 AromaticContact CE1-CD2 3.87Å; H70-Y103 AromaticContact CE1-CE2 3.88Å; H70-Y103 AromaticContact ND1-CE2 3.78Å
71D90.1Very high87.1Confident17 Ų1744.6 Ų44.69%0.09122%0.218CC..Hα-helixtrans-59.3-45176.9-61.2-7.4000111.4T67 V73 V74 D75T67-D71 WeakPolarHBondContact O-CB 3.39Å; T67-D71 PolarHBondContact O-N 3.47Å; D71-V73 PolarHBondContact O-N 3.44Å; D71-V73 VanDerWaalsContact O-N 3.12Å; D71-V74 PolarHBondContact O-N 3.5Å; D71-D75 WeakPolarHBondContact O-CB 3.02Å; D71-D75 PolarHBondContact O-N 3.04Å
72D87.3Confident86Confident7 Ų747.3 Ų47.34%0.03725%0.248CC..Hα-helixtrans-56-31.1176.7-84.5-16.2000112.7L68 H70 E76 S77 R80 T85 N87L68-D72 VanDerWaalsContact O-CB 3.32Å; L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.38Å; H70-D72 PolarHBondContact O-N 2.97Å; D72-E76 PolarHBondContact O-N 2.97Å; D72-S77 PolarHBondContact O-N 3.03Å; D72-S77 VanDerWaalsContact O-N 3.15Å; D72-R80 IonicContact OD1-CZ 3.14Å; D72-R80 IonicContact OD1-NE 3.42Å; D72-R80 PolarHBondContact OD1-NE 3.33Å; D72-R80 IonicContact OD1-NH2 2.61Å; D72-R80 PolarHBondContact OD1-NH2 3.35Å; D72-R80 IonicContact OD2-NE 3.26Å; D72-R80 PolarHBondContact OD2-NE 3.02Å; D72-T85 HydrophobicContact CB-CG2 4.3Å; D72-N87 WeakPolarHBondContact CB-OD1 3.48Å; D72-N87 PolarHBondContact O-ND2 3.29Å; D72-N87 PolarHBondContact O-OD1 3.24Å
73V91.4Very high85.2Confident25 Ų2551.3 Ų51.315%0.15227%0.265CS..Hα-helixtrans-80.5-40.3176.2174.90000111.6L69 H70 D71 N87 N92 V96L69-V73 WeakPolarHBondContact O-CG2 3.37Å; H70-V73 WeakPolarHBondContact O-CB 3.46Å; H70-V73 PolarHBondContact O-N 3.12Å; D71-V73 PolarHBondContact O-N 3.44Å; D71-V73 VanDerWaalsContact O-N 3.12Å; V73-N87 HydrophobicContact CG2-CB 3.81Å; V73-N92 HydrophobicContact CG1-CB 3.89Å; V73-N92 HydrophobicContact CG2-CB 4.36Å; V73-V96 HydrophobicContact CB-CG2 4.39Å; V73-V96 HydrophobicContact CG1-CG2 4.06Å; V73-V96 HydrophobicContact CG2-CG2 4.16Å
74V88.2Confident84.7Confident88 Ų8853 Ų5353%0.53328%0.279SS..Hα-helixtrans-68.5-43.2-179.9172.80000111.2H70 D71 E76H70-V74 WeakPolarHBondContact O-CG2 3.22Å; H70-V74 PolarHBondContact O-N 2.81Å; D71-V74 PolarHBondContact O-N 3.5Å; V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 2.94Å
75D82.9Confident84.2Confident46 Ų4652.1 Ų52.125%0.24628%0.275CS..THydrogen-bonded Turntrans-83.71.1-178.6-70.7-6.4000112.5D71 S77 K222D71-D75 WeakPolarHBondContact O-CB 3.02Å; D71-D75 PolarHBondContact O-N 3.04Å; D75-S77 PolarHBondContact O-N 3.28Å; D75-K222 IonicContact OD2-NZ 3.48Å; D75-K222 PolarHBondContact OD2-NZ 3.33Å; D75-K222 VanDerWaalsContact OD2-NZ 3.14Å
76E82.2Confident83.9Confident156 Ų15651.8 Ų51.873%0.72927%0.273SS*.THydrogen-bonded Turntrans4933.3-175.9-60.1-171.4168.400113.8D72 V74D72-E76 PolarHBondContact O-N 2.97Å; V74-E76 VanDerWaalsContact C-N 3.27Å; V74-E76 PolarHBondContact O-N 2.94Å
77S76.2Confident83.7Confident23 Ų2352.4 Ų52.416%0.16128%0.277CS..  trans-70135.1-175.6-70.50000111.4D72 D75 T85 N87D72-S77 PolarHBondContact O-N 3.03Å; D72-S77 VanDerWaalsContact O-N 3.15Å; D75-S77 PolarHBondContact O-N 3.28Å; S77-T85 WeakPolarHBondContact O-CB 3.3Å; S77-T85 WeakPolarHBondContact O-CG2 3.32Å; S77-T85 PolarHBondContact O-OG1 2.94Å; S77-N87 PolarHBondContact O-ND2 3.15Å; S77-N87 VanDerWaalsContact O-ND2 3.1Å; S77-N87 PolarHBondContact O-OD1 3.45Å
78D80Confident83.5Confident115 Ų11554.3 Ų54.362%0.61529%0.294SS*.SBendtrans-93.7-24.8175.9-80.9-31.3000113.4A84 T85D78-A84 VanDerWaalsContact O-CA 3.32Å; D78-A84 WeakPolarHBondContact O-CA 3.34Å; D78-T85 PolarHBondContact O-N 3.38Å; D78-T85 PolarHBondContact O-OG1 3.06Å
79M75.4Confident83.5Confident115 Ų11555.6 Ų55.657%0.56731%0.308SS*.EExtended strand (participates in β ladder)trans-135.1136.8-172.3-67.3-68.5-7100112.6K83M79-K83 CarbonylContact C-O 3.58Å; M79-K83 WeakPolarHBondContact CA-O 3.37Å
80R72.3Confident83.5Confident84 Ų8458.8 Ų58.832%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-141.8125.4171.9-175173.2-69.5-87.58.3110.6D72 G82 K83 T85D72-R80 IonicContact OD1-CZ 3.14Å; D72-R80 IonicContact OD1-NE 3.42Å; D72-R80 PolarHBondContact OD1-NE 3.33Å; D72-R80 IonicContact OD1-NH2 2.61Å; D72-R80 PolarHBondContact OD1-NH2 3.35Å; D72-R80 IonicContact OD2-NE 3.26Å; D72-R80 PolarHBondContact OD2-NE 3.02Å; R80-G82 PolarHBondContact O-N 3.07Å; R80-K83 PolarHBondContact N-O 2.84Å; R80-K83 PolarHBondContact O-N 3.09Å; R80-K83 VanDerWaalsContact O-N 3.11Å; R80-T85 HydrophobicContact CB-CG2 3.86Å
81R70Confident83.5Confident141 Ų14158.3 Ų58.353%0.53233%0.328SS..THydrogen-bonded Turntrans52.339.7-178.1-59.8177.8179.7159.35.9113.2G30 K83G30-R81 PolarHBondContact O-NH1 3.35Å; R81-K83 VanDerWaalsContact C-N 3.25Å; R81-K83 PolarHBondContact O-N 3Å
82G73.1Confident83.7Confident63 Ų6361.4 Ų61.465%0.64935%0.345SS*.THydrogen-bonded Turntrans747.9178.900000115.4R80R80-G82 PolarHBondContact O-N 3.07Å
83K78.1Confident84.1Confident87 Ų8764.5 Ų64.538%0.37837%0.371SS..EExtended strand (participates in β ladder)trans-116158.2172.1-65.8-177.2177.2-177.70109.3S28 M79 R80 R81S28-K83 PolarHBondContact O-NZ 3.01Å; M79-K83 CarbonylContact C-O 3.58Å; M79-K83 WeakPolarHBondContact CA-O 3.37Å; R80-K83 PolarHBondContact N-O 2.84Å; R80-K83 PolarHBondContact O-N 3.09Å; R80-K83 VanDerWaalsContact O-N 3.11Å; R81-K83 VanDerWaalsContact C-N 3.25Å; R81-K83 PolarHBondContact O-N 3Å
84A83.9Confident84.2Confident36 Ų3663.8 Ų63.830%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-56144.9169.600000110Y25 D78 A88Y25-A84 WeakPolarHBondContact CE1-O 3.35Å; Y25-A84 PolarHBondContact OH-O 3.11Å; D78-A84 VanDerWaalsContact O-CA 3.32Å; D78-A84 WeakPolarHBondContact O-CA 3.34Å; A84-A88 HydrophobicContact CB-CB 4.33Å
85T83.6Confident84.4Confident2 Ų259.6 Ų59.61%0.01234%0.342CS..  trans-67.4162.3170.150.30000110.6D72 S77 D78 R80 N87 A88 A89D72-T85 HydrophobicContact CB-CG2 4.3Å; S77-T85 WeakPolarHBondContact O-CB 3.3Å; S77-T85 WeakPolarHBondContact O-CG2 3.32Å; S77-T85 PolarHBondContact O-OG1 2.94Å; D78-T85 PolarHBondContact O-N 3.38Å; D78-T85 PolarHBondContact O-OG1 3.06Å; R80-T85 HydrophobicContact CB-CG2 3.86Å; T85-N87 VanDerWaalsContact C-N 3.27Å; T85-N87 WeakPolarHBondContact CB-OD1 3.34Å; T85-N87 PolarHBondContact O-N 2.9Å; T85-N87 PolarHBondContact OG1-OD1 2.99Å; T85-A88 PolarHBondContact O-N 3.31Å; T85-A88 VanDerWaalsContact OG1-CB 3.3Å; T85-A88 WeakPolarHBondContact OG1-CB 3.24Å; T85-A88 PolarHBondContact OG1-N 3.16Å; T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.37Å
86A86.8Confident85.1Confident3 Ų359.9 Ų59.93%0.02535%0.346CS..Hα-helixtrans-63.3-35.7-179.500000111.9L22 L69 A89 F90 S95L22-A86 HydrophobicContact CD1-CB 4.33Å; L22-A86 HydrophobicContact CD2-CB 4.27Å; L22-A86 HydrophobicContact CG-CB 4.38Å; L69-A86 HydrophobicContact CD2-CB 3.33Å; A86-A89 PolarHBondContact O-N 3.41Å; A86-F90 WeakPolarHBondContact O-CA 3.5Å; A86-F90 WeakPolarHBondContact O-CB 3.48Å; A86-F90 WeakPolarHBondContact O-CD2 3.37Å; A86-F90 PolarHBondContact O-N 2.91Å; A86-S95 WeakPolarHBondContact CB-OG 3.3Å; A86-S95 PolarHBondContact O-OG 3.49Å
87N87.9Confident85.7Confident13 Ų1358 Ų587%0.0734%0.34CS..Hα-helixtrans-69.6-38.5176.961-59000111.9D72 V73 S77 T85 A89 G91 N92 S95D72-N87 WeakPolarHBondContact CB-OD1 3.48Å; D72-N87 PolarHBondContact O-ND2 3.29Å; D72-N87 PolarHBondContact O-OD1 3.24Å; V73-N87 HydrophobicContact CG2-CB 3.81Å; S77-N87 PolarHBondContact O-ND2 3.15Å; S77-N87 VanDerWaalsContact O-ND2 3.1Å; S77-N87 PolarHBondContact O-OD1 3.45Å; T85-N87 VanDerWaalsContact C-N 3.27Å; T85-N87 WeakPolarHBondContact CB-OD1 3.34Å; T85-N87 PolarHBondContact O-N 2.9Å; T85-N87 PolarHBondContact OG1-OD1 2.99Å; N87-A89 VanDerWaalsContact C-N 3.32Å; N87-A89 PolarHBondContact O-N 2.92Å; N87-G91 CarbonylContact O-C 3.44Å; N87-G91 WeakPolarHBondContact O-CA 3.49Å; N87-G91 PolarHBondContact O-N 3.41Å; N87-N92 WeakPolarHBondContact CB-OD1 3.48Å; N87-S95 VanDerWaalsContact CA-OG 3.22Å; N87-S95 WeakPolarHBondContact CA-OG 3.37Å; N87-S95 PolarHBondContact N-OG 3.03Å
88A89.8Confident86.6Confident52 Ų5257 Ų5743%0.4333%0.333SS..Hα-helixtrans-64.3-37.7173.200000112A84 T85A84-A88 HydrophobicContact CB-CB 4.33Å; T85-A88 PolarHBondContact O-N 3.31Å; T85-A88 VanDerWaalsContact OG1-CB 3.3Å; T85-A88 WeakPolarHBondContact OG1-CB 3.24Å; T85-A88 PolarHBondContact OG1-N 3.16Å
89A90.2Very high87.3Confident51 Ų5151.6 Ų51.642%0.42130%0.304SS..Hα-helixtrans-83.5-34.9-177.400000114.6T85 A86 N87T85-A89 WeakPolarHBondContact O-CB 3.38Å; T85-A89 PolarHBondContact O-N 3.37Å; A86-A89 PolarHBondContact O-N 3.41Å; N87-A89 VanDerWaalsContact C-N 3.32Å; N87-A89 PolarHBondContact O-N 2.92Å
90F91.6Very high88.2Confident70 Ų7049.4 Ų49.431%0.30730%0.295SS..Hα-helixtrans-125.6-6-170.6-59.9-88.8000114L18 Q21 L22 Y25 A86 A94L18-F90 HydrophobicContact CD1-CD1 4.16Å; Q21-F90 HydrophobicContact CB-CE1 4.47Å; L22-F90 HydrophobicContact CD1-CB 3.74Å; L22-F90 HydrophobicContact CD1-CD1 4.43Å; L22-F90 HydrophobicContact CD1-CD2 3.75Å; L22-F90 HydrophobicContact CD1-CE2 4.48Å; L22-F90 HydrophobicContact CD1-CG 3.73Å; L22-F90 HydrophobicContact CG-CD2 4.16Å; L22-F90 HydrophobicContact CG-CE2 4.44Å; Y25-F90 HydrophobicContact CD1-CE2 4.16Å; Y25-F90 HydrophobicContact CD2-CE2 4.07Å; Y25-F90 HydrophobicContact CD2-CZ 4.4Å; Y25-F90 AromaticContact CG-CE2 3.87Å; Y25-F90 HydrophobicContact CG-CE2 3.87Å; Y25-F90 HydrophobicContact CG-CZ 4.43Å; A86-F90 WeakPolarHBondContact O-CA 3.5Å; A86-F90 WeakPolarHBondContact O-CB 3.48Å; A86-F90 WeakPolarHBondContact O-CD2 3.37Å; A86-F90 PolarHBondContact O-N 2.91Å; F90-A94 HydrophobicContact CB-CB 3.85Å; F90-A94 WeakPolarHBondContact O-CB 3.22Å
91G93.2Very high89.3Confident31 Ų3146.9 Ų46.932%0.3229%0.286SS..  trans86.8153.3-177.500000113.7N87 A93 A94 S95N87-G91 CarbonylContact O-C 3.44Å; N87-G91 WeakPolarHBondContact O-CA 3.49Å; N87-G91 PolarHBondContact O-N 3.41Å; G91-A93 VanDerWaalsContact C-N 3.31Å; G91-A93 PolarHBondContact O-N 3.4Å; G91-A94 PolarHBondContact O-N 2.93Å; G91-A94 VanDerWaalsContact O-N 3.12Å; G91-S95 PolarHBondContact O-N 3.21Å; G91-S95 PolarHBondContact O-OG 3.44Å
92N93.7Very high90.4Very high82 Ų8240.2 Ų40.244%0.43926%0.261SS..Hα-helixtrans-54.1-44.5-176.5-63.86.4000112.7V73 N87 A94 S95 V96V73-N92 HydrophobicContact CG1-CB 3.89Å; V73-N92 HydrophobicContact CG2-CB 4.36Å; N87-N92 WeakPolarHBondContact CB-OD1 3.48Å; N92-A94 VanDerWaalsContact C-N 3.32Å; N92-A94 PolarHBondContact O-N 2.89Å; N92-S95 PolarHBondContact O-N 2.96Å; N92-V96 WeakPolarHBondContact O-CG2 3.48Å; N92-V96 PolarHBondContact O-N 3.05Å
93A94.8Very high91.4Very high71 Ų7138.9 Ų38.959%0.58724%0.236SC*.Hα-helixtrans-61.3-39-178.600000112.6G91 L97G91-A93 VanDerWaalsContact C-N 3.31Å; G91-A93 PolarHBondContact O-N 3.4Å; A93-L97 WeakPolarHBondContact O-CB 3.37Å; A93-L97 WeakPolarHBondContact O-CD1 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 3.03Å
94A94.3Very high92.2Very high11 Ų1138.2 Ų38.29%0.09124%0.24CC..Hα-helixtrans-68.5-44.2177.300000111.2L18 L22 F90 G91 N92 V98L18-A94 HydrophobicContact CD1-CB 4.46Å; L18-A94 HydrophobicContact CD2-CB 4.08Å; L22-A94 HydrophobicContact CD1-CB 4.21Å; F90-A94 HydrophobicContact CB-CB 3.85Å; F90-A94 WeakPolarHBondContact O-CB 3.22Å; G91-A94 PolarHBondContact O-N 2.93Å; G91-A94 VanDerWaalsContact O-N 3.12Å; N92-A94 VanDerWaalsContact C-N 3.32Å; N92-A94 PolarHBondContact O-N 2.89Å; A94-V98 WeakPolarHBondContact O-CB 3.43Å; A94-V98 VanDerWaalsContact O-CG2 3.24Å; A94-V98 WeakPolarHBondContact O-CG2 3.46Å; A94-V98 PolarHBondContact O-N 3.04Å
95S93.5Very high92.7Very high0 Ų039.5 Ų39.50%024%0.237CC..Hα-helixtrans-60.8-47.2178.8-62.40000112.4A86 N87 G91 N92 G99A86-S95 WeakPolarHBondContact CB-OG 3.3Å; A86-S95 PolarHBondContact O-OG 3.49Å; N87-S95 VanDerWaalsContact CA-OG 3.22Å; N87-S95 WeakPolarHBondContact CA-OG 3.37Å; N87-S95 PolarHBondContact N-OG 3.03Å; G91-S95 PolarHBondContact O-N 3.21Å; G91-S95 PolarHBondContact O-OG 3.44Å; N92-S95 PolarHBondContact O-N 2.96Å; S95-G99 PolarHBondContact O-N 2.88Å
96V95.7Very high93.3Very high52 Ų5239.4 Ų39.432%0.31524%0.237SC..Hα-helixtrans-61.2-52.8178.5174.80000110.7H70 V73 N92 V98 G99 D100H70-V96 PolarHBondContact NE2-O 2.8Å; H70-V96 VanDerWaalsContact NE2-O 3.14Å; V73-V96 HydrophobicContact CB-CG2 4.39Å; V73-V96 HydrophobicContact CG1-CG2 4.06Å; V73-V96 HydrophobicContact CG2-CG2 4.16Å; N92-V96 WeakPolarHBondContact O-CG2 3.48Å; N92-V96 PolarHBondContact O-N 3.05Å; V96-V98 PolarHBondContact O-N 3.31Å; V96-G99 WeakPolarHBondContact O-CA 3.41Å; V96-G99 PolarHBondContact O-N 3.17Å; V96-G99 VanDerWaalsContact O-N 3.12Å; V96-D100 VanDerWaalsContact O-CG 3.24Å; V96-D100 PolarHBondContact O-N 2.85Å
97L95.9Very high93.6Very high116 Ų11643.3 Ų43.361%0.60725%0.253SS*.Hα-helixtrans-66.7-34.5-175.2-67.5174.8000113.1A93 F101A93-L97 WeakPolarHBondContact O-CB 3.37Å; A93-L97 WeakPolarHBondContact O-CD1 3.48Å; A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 3.03Å; L97-F101 PolarHBondContact O-N 3.36Å
98V94.2Very high94Very high3 Ų347.3 Ų47.32%0.01827%0.271CS..Hα-helixtrans-73.5-36.3173.7175.80000110.7I19 L22 L69 A94 V96 D100 F101 I102I19-V98 HydrophobicContact CG1-CG2 4.26Å; L22-V98 HydrophobicContact CB-CG1 4.22Å; L22-V98 HydrophobicContact CB-CG2 4.14Å; L22-V98 HydrophobicContact CD1-CG2 4.23Å; L22-V98 HydrophobicContact CD2-CB 3.73Å; L22-V98 HydrophobicContact CD2-CG1 3.45Å; L22-V98 VanDerWaalsContact CD2-CG1 3.45Å; L22-V98 HydrophobicContact CD2-CG2 4.15Å; L22-V98 HydrophobicContact CG-CG1 4.37Å; L22-V98 HydrophobicContact CG-CG2 4.41Å; L69-V98 HydrophobicContact CD1-CG1 4.24Å; A94-V98 WeakPolarHBondContact O-CB 3.43Å; A94-V98 VanDerWaalsContact O-CG2 3.24Å; A94-V98 WeakPolarHBondContact O-CG2 3.46Å; A94-V98 PolarHBondContact O-N 3.04Å; V96-V98 PolarHBondContact O-N 3.31Å; V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.48Å; V98-F101 WeakPolarHBondContact O-CB 3.48Å; V98-F101 PolarHBondContact O-N 3.41Å; V98-I102 HydrophobicContact CG1-CD1 4.03Å; V98-I102 HydrophobicContact CG1-CG1 4.37Å; V98-I102 VanDerWaalsContact O-CG1 3.3Å; V98-I102 WeakPolarHBondContact O-CG1 3.4Å; V98-I102 PolarHBondContact O-N 3.4Å
99G94.6Very high94.3Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-57.6-44.9170.300000111.8S95 V96 F101 I102 Y103S95-G99 PolarHBondContact O-N 2.88Å; V96-G99 WeakPolarHBondContact O-CA 3.41Å; V96-G99 PolarHBondContact O-N 3.17Å; V96-G99 VanDerWaalsContact O-N 3.12Å; G99-F101 PolarHBondContact O-N 2.85Å; G99-I102 PolarHBondContact O-N 3.36Å; G99-Y103 PolarHBondContact O-N 3.2Å
100D95.8Very high94.5Very high70 Ų7042.7 Ų42.737%0.37423%0.232SC..Hα-helixtrans-59.9-45.2175.2-63.2-15000111.3H70 V96 V98 I102 Y103 T104H70-D100 IonicContact CE1-OD1 2.62Å; H70-D100 PolarHBondContact CE1-OD1 3.2Å; H70-D100 VanDerWaalsContact CE1-OD1 3.24Å; H70-D100 IonicContact NE2-OD1 3.67Å; H70-D100 PolarHBondContact NE2-OD1 3.1Å; V96-D100 VanDerWaalsContact O-CG 3.24Å; V96-D100 PolarHBondContact O-N 2.85Å; V98-D100 VanDerWaalsContact C-N 3.31Å; V98-D100 PolarHBondContact O-N 3.48Å; D100-I102 PolarHBondContact O-N 2.99Å; D100-Y103 WeakPolarHBondContact O-CB 3.39Å; D100-Y103 PolarHBondContact O-N 2.94Å; D100-T104 WeakPolarHBondContact O-CG2 3.44Å; D100-T104 PolarHBondContact O-N 3.43Å
101F94.7Very high94.7Very high31 Ų3143.8 Ų43.814%0.13625%0.245CC..Hα-helixtrans-58.3-47.2175.1172.3-95.4000111.8I19 L97 V98 G99 Y103 T104 R105I19-F101 HydrophobicContact CD1-CB 4.21Å; I19-F101 HydrophobicContact CD1-CD1 4.23Å; I19-F101 HydrophobicContact CD1-CD2 3.7Å; I19-F101 HydrophobicContact CD1-CE2 4.03Å; I19-F101 HydrophobicContact CD1-CG 3.78Å; I19-F101 HydrophobicContact CD1-CZ 4.41Å; I19-F101 HydrophobicContact CG2-CD1 3.44Å; I19-F101 VanDerWaalsContact CG2-CD1 3.44Å; I19-F101 HydrophobicContact CG2-CE1 3.31Å; I19-F101 HydrophobicContact CG2-CE2 4.49Å; I19-F101 HydrophobicContact CG2-CG 4.09Å; I19-F101 HydrophobicContact CG2-CZ 3.86Å; L97-F101 PolarHBondContact O-N 3.36Å; V98-F101 WeakPolarHBondContact O-CB 3.48Å; V98-F101 PolarHBondContact O-N 3.41Å; G99-F101 PolarHBondContact O-N 2.85Å; F101-Y103 VanDerWaalsContact C-N 3.31Å; F101-Y103 PolarHBondContact O-N 3.13Å; F101-T104 PolarHBondContact O-N 2.76Å; F101-T104 VanDerWaalsContact O-N 3.13Å; F101-T104 PolarHBondContact O-OG1 2.91Å; F101-R105 HydrophobicContact CD1-CG 4.14Å; F101-R105 HydrophobicContact CE1-CG 3.65Å; F101-R105 HydrophobicContact CE2-CG 4.14Å; F101-R105 HydrophobicContact CZ-CG 3.69Å; F101-R105 PolarHBondContact O-N 3.27Å
102I94Very high94.8Very high1 Ų146.4 Ų46.41%0.00526%0.258CS..Hα-helixtrans-61.8-40.7179.2-68173.4000110.4L12 I26 F62 T65 A66 L69 V98 G99 D100 R105 A106L12-I102 HydrophobicContact CD2-CD1 4.2Å; L12-I102 HydrophobicContact CD2-CG1 4.12Å; I26-I102 HydrophobicContact CD1-CD1 4.24Å; F62-I102 HydrophobicContact CB-CG2 3.8Å; F62-I102 HydrophobicContact CD1-CB 4.43Å; F62-I102 HydrophobicContact CD1-CG2 3.59Å; F62-I102 HydrophobicContact CE1-CG2 4.36Å; F62-I102 HydrophobicContact CG-CG2 3.87Å; F62-I102 WeakPolarHBondContact O-CG2 3.38Å; T65-I102 HydrophobicContact CG2-CD1 3.9Å; A66-I102 HydrophobicContact CB-CB 4.17Å; A66-I102 HydrophobicContact CB-CG2 3.93Å; L69-I102 HydrophobicContact CD1-CD1 3.87Å; V98-I102 HydrophobicContact CG1-CD1 4.03Å; V98-I102 HydrophobicContact CG1-CG1 4.37Å; V98-I102 VanDerWaalsContact O-CG1 3.3Å; V98-I102 WeakPolarHBondContact O-CG1 3.4Å; V98-I102 PolarHBondContact O-N 3.4Å; G99-I102 PolarHBondContact O-N 3.36Å; D100-I102 PolarHBondContact O-N 2.99Å; I102-R105 PolarHBondContact O-N 3.04Å; I102-A106 PolarHBondContact O-N 3.05Å
103Y94Very high94.9Very high34 Ų3443.8 Ų43.813%0.13324%0.244CC..Hα-helixtrans-58.2-48.8170.9-95.9-64.7000112.1I63 A66 T67 H70 G99 D100 F101 R105 A106 F107 V126I63-Y103 HydrophobicContact CD1-CD1 3.52Å; I63-Y103 HydrophobicContact CD1-CE1 3.58Å; I63-Y103 HydrophobicContact CG2-CE1 4.17Å; A66-Y103 HydrophobicContact CB-CD1 4.49Å; A66-Y103 HydrophobicContact CB-CD2 3.37Å; A66-Y103 HydrophobicContact CB-CE2 3.46Å; A66-Y103 VanDerWaalsContact CB-CE2 3.46Å; A66-Y103 HydrophobicContact CB-CG 3.92Å; T67-Y103 WeakPolarHBondContact CG2-OH 3.41Å; H70-Y103 AromaticContact CE1-CD2 3.87Å; H70-Y103 AromaticContact CE1-CE2 3.88Å; H70-Y103 AromaticContact ND1-CE2 3.78Å; G99-Y103 PolarHBondContact O-N 3.2Å; D100-Y103 WeakPolarHBondContact O-CB 3.39Å; D100-Y103 PolarHBondContact O-N 2.94Å; F101-Y103 VanDerWaalsContact C-N 3.31Å; F101-Y103 PolarHBondContact O-N 3.13Å; Y103-R105 VanDerWaalsContact C-N 3.3Å; Y103-R105 PolarHBondContact O-N 3.45Å; Y103-A106 WeakPolarHBondContact O-CA 3.5Å; Y103-A106 VanDerWaalsContact O-CB 3.3Å; Y103-A106 WeakPolarHBondContact O-CB 3.4Å; Y103-A106 PolarHBondContact O-N 3.49Å; Y103-A106 VanDerWaalsContact O-N 3.12Å; Y103-F107 HydrophobicContact CD1-CE2 4.29Å; Y103-F107 WeakPolarHBondContact O-CD2 3.25Å; Y103-F107 PolarHBondContact O-N 2.91Å; Y103-V126 HydrophobicContact CD1-CG1 4.42Å; Y103-V126 HydrophobicContact CE1-CG1 3.69Å; Y103-V126 HydrophobicContact CE1-CG2 4.48Å
104T94.4Very high95Very high73 Ų7343.8 Ų43.845%0.44825%0.251SS..Hα-helixtrans-63-35.6179.264.80000112.7D100 F101 F107 Q108D100-T104 WeakPolarHBondContact O-CG2 3.44Å; D100-T104 PolarHBondContact O-N 3.43Å; F101-T104 PolarHBondContact O-N 2.76Å; F101-T104 VanDerWaalsContact O-N 3.13Å; F101-T104 PolarHBondContact O-OG1 2.91Å; T104-F107 PolarHBondContact O-N 3.19Å; T104-Q108 WeakPolarHBondContact O-CG 3.29Å; T104-Q108 PolarHBondContact O-N 3.27Å
105R94.9Very high95.1Very high64 Ų6444.7 Ų44.724%0.24226%0.257CS..Hα-helixtrans-64.4-43172-72.7-57.3-161.5-171.53.6111.8N13 F62 F101 I102 Y103 F107 Q108 M109N13-R105 PolarHBondContact O-NH2 3.45Å; F62-R105 HydrophobicContact CD1-CB 3.88Å; F62-R105 HydrophobicContact CE1-CB 3.77Å; F62-R105 HydrophobicContact CE1-CG 4.43Å; F101-R105 HydrophobicContact CD1-CG 4.14Å; F101-R105 HydrophobicContact CE1-CG 3.65Å; F101-R105 HydrophobicContact CE2-CG 4.14Å; F101-R105 HydrophobicContact CZ-CG 3.69Å; F101-R105 PolarHBondContact O-N 3.27Å; I102-R105 PolarHBondContact O-N 3.04Å; Y103-R105 VanDerWaalsContact C-N 3.3Å; Y103-R105 PolarHBondContact O-N 3.45Å; R105-F107 VanDerWaalsContact C-N 3.32Å; R105-F107 PolarHBondContact O-N 3.44Å; R105-Q108 VanDerWaalsContact CD-OE1 3.26Å; R105-Q108 WeakPolarHBondContact O-CB 3.39Å; R105-Q108 PolarHBondContact O-N 3.14Å; R105-Q108 VanDerWaalsContact O-N 3.13Å; R105-M109 VanDerWaalsContact O-CG 3.32Å; R105-M109 WeakPolarHBondContact O-CG 3.35Å; R105-M109 PolarHBondContact O-N 3.09Å
106A95.6Very high95.2Very high0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-56.3-44.5171.800000111.7L59 F62 I63 I102 Y103 Q108 M109 M110L59-A106 HydrophobicContact CD1-CB 3.43Å; L59-A106 VanDerWaalsContact CD1-CB 3.43Å; L59-A106 WeakPolarHBondContact CD1-O 3.32Å; F62-A106 HydrophobicContact CB-CB 4.01Å; I63-A106 HydrophobicContact CD1-CB 3.45Å; I63-A106 VanDerWaalsContact CD1-CB 3.45Å; I63-A106 HydrophobicContact CG1-CB 3.96Å; I102-A106 PolarHBondContact O-N 3.05Å; Y103-A106 WeakPolarHBondContact O-CA 3.5Å; Y103-A106 VanDerWaalsContact O-CB 3.3Å; Y103-A106 WeakPolarHBondContact O-CB 3.4Å; Y103-A106 PolarHBondContact O-N 3.49Å; Y103-A106 VanDerWaalsContact O-N 3.12Å; A106-Q108 PolarHBondContact O-N 2.79Å; A106-M109 WeakPolarHBondContact O-CB 3.49Å; A106-M109 PolarHBondContact O-N 3.16Å; A106-M110 WeakPolarHBondContact O-CG 3.06Å; A106-M110 PolarHBondContact O-N 3.19Å
107F93.7Very high95.3Very high84 Ų8453.5 Ų53.537%0.36830%0.297SS..Hα-helixtrans-60.6-40.7173.8-70.2-69.1000113.4Y103 T104 R105 M109 M110 T111Y103-F107 HydrophobicContact CD1-CE2 4.29Å; Y103-F107 WeakPolarHBondContact O-CD2 3.25Å; Y103-F107 PolarHBondContact O-N 2.91Å; T104-F107 PolarHBondContact O-N 3.19Å; R105-F107 VanDerWaalsContact C-N 3.32Å; R105-F107 PolarHBondContact O-N 3.44Å; F107-M109 VanDerWaalsContact C-N 3.33Å; F107-M109 PolarHBondContact O-N 3.17Å; F107-M110 HydrophobicContact CB-CE 4.44Å; F107-M110 HydrophobicContact CD1-CE 3.27Å; F107-M110 HydrophobicContact CD1-SD 4.3Å; F107-M110 HydrophobicContact CE1-CE 3.5Å; F107-M110 VanDerWaalsContact CE1-CE 3.5Å; F107-M110 HydrophobicContact CG-CE 3.89Å; F107-M110 HydrophobicContact CZ-CE 4.28Å; F107-M110 WeakPolarHBondContact O-CB 3.37Å; F107-M110 PolarHBondContact O-N 3.46Å; F107-T111 WeakPolarHBondContact O-CG2 3.49Å; F107-T111 PolarHBondContact O-N 2.64Å; F107-T111 PolarHBondContact O-OG1 3.21Å
108Q95.4Very high95.4Very high97 Ų9748 Ų4845%0.45327%0.268SS..Hα-helixtrans-60.8-43.2173.7-69.7178.8-23.700111.8T104 R105 A106 T111 S112T104-Q108 WeakPolarHBondContact O-CG 3.29Å; T104-Q108 PolarHBondContact O-N 3.27Å; R105-Q108 VanDerWaalsContact CD-OE1 3.26Å; R105-Q108 WeakPolarHBondContact O-CB 3.39Å; R105-Q108 PolarHBondContact O-N 3.14Å; R105-Q108 VanDerWaalsContact O-N 3.13Å; A106-Q108 PolarHBondContact O-N 2.79Å; Q108-T111 PolarHBondContact O-N 2.71Å; Q108-T111 PolarHBondContact O-OG1 3.05Å; Q108-S112 PolarHBondContact O-N 3.01Å
109M95.9Very high95.5Very high6 Ų650.5 Ų50.53%0.0328%0.281CS..Hα-helixtrans-63.6-39.6175.6-64.2169.973.200112.3Q11 T55 A58 L59 F62 R105 A106 F107 S112 L113Q11-M109 HydrophobicContact CB-SD 4.21Å; Q11-M109 HydrophobicContact CG-CE 4.11Å; Q11-M109 HydrophobicContact CG-CG 4.27Å; Q11-M109 HydrophobicContact CG-SD 3.81Å; T55-M109 HydrophobicContact CG2-CB 4.07Å; T55-M109 HydrophobicContact CG2-CE 4.18Å; T55-M109 WeakPolarHBondContact O-CE 3.34Å; A58-M109 HydrophobicContact CB-CE 3.5Å; L59-M109 HydrophobicContact CB-CB 4.37Å; L59-M109 HydrophobicContact CB-CE 4.14Å; L59-M109 HydrophobicContact CD1-CB 4.49Å; L59-M109 VanDerWaalsContact N-CE 3.33Å; F62-M109 HydrophobicContact CD1-SD 4.4Å; F62-M109 HydrophobicContact CG-SD 4.43Å; R105-M109 VanDerWaalsContact O-CG 3.32Å; R105-M109 WeakPolarHBondContact O-CG 3.35Å; R105-M109 PolarHBondContact O-N 3.09Å; A106-M109 WeakPolarHBondContact O-CB 3.49Å; A106-M109 PolarHBondContact O-N 3.16Å; F107-M109 VanDerWaalsContact C-N 3.33Å; F107-M109 PolarHBondContact O-N 3.17Å; M109-S112 PolarHBondContact O-N 3.24Å; M109-S112 PolarHBondContact O-OG 3.48Å; M109-L113 WeakPolarHBondContact O-CG 3.45Å; M109-L113 PolarHBondContact O-N 2.91Å
110M95Very high95.6Very high0 Ų056.9 Ų56.90%031%0.311CS..Hα-helixtrans-59.7-47.9173.8-75.1-173.5-104.800111.6L59 I63 A106 F107 S112 L113 L119 M122L59-M110 HydrophobicContact CD1-CE 4.04Å; L59-M110 HydrophobicContact CD1-CG 3.62Å; L59-M110 HydrophobicContact CD1-SD 4.42Å; L59-M110 HydrophobicContact CD2-CB 4.49Å; L59-M110 HydrophobicContact CD2-CG 3.35Å; L59-M110 HydrophobicContact CD2-SD 4.42Å; L59-M110 HydrophobicContact CG-CG 4.12Å; I63-M110 HydrophobicContact CD1-CE 4.38Å; A106-M110 WeakPolarHBondContact O-CG 3.06Å; A106-M110 PolarHBondContact O-N 3.19Å; F107-M110 HydrophobicContact CB-CE 4.44Å; F107-M110 HydrophobicContact CD1-CE 3.27Å; F107-M110 HydrophobicContact CD1-SD 4.3Å; F107-M110 HydrophobicContact CE1-CE 3.5Å; F107-M110 VanDerWaalsContact CE1-CE 3.5Å; F107-M110 HydrophobicContact CG-CE 3.89Å; F107-M110 HydrophobicContact CZ-CE 4.28Å; F107-M110 WeakPolarHBondContact O-CB 3.37Å; F107-M110 PolarHBondContact O-N 3.46Å; M110-S112 VanDerWaalsContact C-N 3.32Å; M110-S112 PolarHBondContact O-N 3.47Å; M110-L113 WeakPolarHBondContact O-CB 3.28Å; M110-L113 PolarHBondContact O-N 3.16Å; M110-L119 HydrophobicContact CB-CD1 3.93Å; M110-L119 HydrophobicContact SD-CD1 4.28Å; M110-M122 HydrophobicContact CE-CB 4.48Å; M110-M122 HydrophobicContact CG-CB 4.38Å; M110-M122 HydrophobicContact CG-CG 4.48Å; M110-M122 HydrophobicContact SD-CB 3.28Å; M110-M122 WeakPolarHBondContact SD-CB 3.38Å; M110-M122 HydrophobicContact SD-CG 3.96Å
111T95.7Very high95.7Very high93 Ų9354.3 Ų54.357%0.57130%0.298SS*.Hα-helixtrans-66.3-33.2-179.160.10000112.8F107 Q108 L113 G114F107-T111 WeakPolarHBondContact O-CG2 3.49Å; F107-T111 PolarHBondContact O-N 2.64Å; F107-T111 PolarHBondContact O-OG1 3.21Å; Q108-T111 PolarHBondContact O-N 2.71Å; Q108-T111 PolarHBondContact O-OG1 3.05Å; T111-L113 PolarHBondContact O-N 3.26Å; T111-G114 PolarHBondContact O-N 2.92Å; T111-G114 VanDerWaalsContact O-N 3.15Å
112S95.9Very high95.9Very high87 Ų8752.9 Ų52.961%0.60829%0.291SS*.Hα-helixtrans-70-19.2179.875.70000113.7Q108 M109 M110 G114Q108-S112 PolarHBondContact O-N 3.01Å; M109-S112 PolarHBondContact O-N 3.24Å; M109-S112 PolarHBondContact O-OG 3.48Å; M110-S112 VanDerWaalsContact C-N 3.32Å; M110-S112 PolarHBondContact O-N 3.47Å; S112-G114 PolarHBondContact O-N 2.96Å
113L95.9Very high96Very high26 Ų2655.5 Ų55.514%0.13631%0.31CS..THydrogen-bonded Turntrans-67.9-20.1172.7-67.8168.4000112.7A52 T55 I56 M109 M110 T111 S115 V118 L172A52-L113 HydrophobicContact CB-CD2 3.98Å; T55-L113 HydrophobicContact CG2-CD2 3.88Å; T55-L113 HydrophobicContact CG2-CG 4.13Å; I56-L113 HydrophobicContact CD1-CD1 4.38Å; I56-L113 HydrophobicContact CG1-CD1 3.68Å; I56-L113 HydrophobicContact CG1-CD2 4.18Å; M109-L113 WeakPolarHBondContact O-CG 3.45Å; M109-L113 PolarHBondContact O-N 2.91Å; M110-L113 WeakPolarHBondContact O-CB 3.28Å; M110-L113 PolarHBondContact O-N 3.16Å; T111-L113 PolarHBondContact O-N 3.26Å; L113-S115 PolarHBondContact O-N 2.79Å; L113-S115 VanDerWaalsContact O-N 3.17Å; L113-V118 HydrophobicContact CD1-CG1 3.87Å; L113-L172 HydrophobicContact CD2-CD1 4.17Å; L113-L172 HydrophobicContact CD2-CD2 4.35Å
114G95.4Very high96.2Very high71 Ų7158.9 Ų58.973%0.73233%0.327SS*.  trans6614.3178.700000114.9T111 S112T111-G114 PolarHBondContact O-N 2.92Å; T111-G114 VanDerWaalsContact O-N 3.15Å; S112-G114 PolarHBondContact O-N 2.96Å
115S96.6Very high96.3Very high31 Ų3155.4 Ų55.422%0.21731%0.305CS..  trans-108.6107.6-179.7177.20000110.9L113 K117 V118 L119L113-S115 PolarHBondContact O-N 2.79Å; L113-S115 VanDerWaalsContact O-N 3.17Å; S115-K117 PolarHBondContact O-N 2.77Å; S115-V118 PolarHBondContact O-N 3.2Å; S115-V118 WeakPolarHBondContact OG-CG2 3.43Å; S115-V118 PolarHBondContact OG-N 3.34Å; S115-L119 PolarHBondContact O-N 3.39Å
116L96.8Very high96.4Very high142 Ų14253.1 Ų53.174%0.74330%0.299SS*.Hα-helixtrans-59.7-35.1175.4-71.1177.5000112L119 E120L116-L119 WeakPolarHBondContact O-CB 3.18Å; L116-L119 PolarHBondContact O-N 3Å; L116-E120 WeakPolarHBondContact O-CB 3.38Å; L116-E120 PolarHBondContact O-N 2.97Å
117K97.1Very high96.5Very high94 Ų9456.9 Ų56.941%0.40932%0.319SS..Hα-helixtrans-67.6-40.7178.8-168.6175.9-179178.80112S115 L119 E120 V121 I171 E180S115-K117 PolarHBondContact O-N 2.77Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-E120 PolarHBondContact O-N 3.47Å; K117-V121 WeakPolarHBondContact O-CG2 3.38Å; K117-V121 PolarHBondContact O-N 3.5Å; K117-I171 HydrophobicContact CB-CG2 3.97Å; K117-I171 HydrophobicContact CD-CD1 4.14Å; K117-I171 HydrophobicContact CD-CG1 4.14Å; K117-I171 HydrophobicContact CD-CG2 3.89Å; K117-I171 HydrophobicContact CG-CD1 4.03Å; K117-I171 HydrophobicContact CG-CG1 4.5Å; K117-I171 HydrophobicContact CG-CG2 4.02Å; K117-E180 WeakPolarHBondContact CE-OE1 3.27Å; K117-E180 IonicContact NZ-OE1 3.85Å; K117-E180 PolarHBondContact NZ-OE1 3.1Å; K117-E180 IonicContact NZ-OE2 3.87Å; K117-E180 PolarHBondContact NZ-OE2 3.21Å
118V97.4Very high96.7Very high0 Ų053.8 Ų53.80%031%0.307CS..Hα-helixtrans-64.1-42.3173.2170.30000110.5L113 S115 V121 M122 C168 I171L113-V118 HydrophobicContact CD1-CG1 3.87Å; S115-V118 PolarHBondContact O-N 3.2Å; S115-V118 WeakPolarHBondContact OG-CG2 3.43Å; S115-V118 PolarHBondContact OG-N 3.34Å; V118-V121 PolarHBondContact O-N 2.88Å; V118-M122 HydrophobicContact CG1-CG 4.22Å; V118-M122 WeakPolarHBondContact O-CB 3.13Å; V118-M122 WeakPolarHBondContact O-CG 3.15Å; V118-M122 PolarHBondContact O-N 3.37Å; V118-C168 HydrophobicContact CG1-CB 4.09Å; V118-C168 HydrophobicContact CG2-CB 4.29Å; V118-I171 HydrophobicContact CG2-CB 4.18Å; V118-I171 HydrophobicContact CG2-CG2 3.79Å
119L96.9Very high96.8Very high56 Ų5649.3 Ų49.329%0.29329%0.286SS..Hα-helixtrans-60.6-45.5177.4-175.167.4000111.7M110 S115 L116 K117 M122 S123M110-L119 HydrophobicContact CB-CD1 3.93Å; M110-L119 HydrophobicContact SD-CD1 4.28Å; S115-L119 PolarHBondContact O-N 3.39Å; L116-L119 WeakPolarHBondContact O-CB 3.18Å; L116-L119 PolarHBondContact O-N 3Å; K117-L119 VanDerWaalsContact C-N 3.34Å; L119-M122 PolarHBondContact O-N 2.98Å; L119-S123 VanDerWaalsContact O-CB 3.24Å; L119-S123 WeakPolarHBondContact O-CB 3.48Å; L119-S123 PolarHBondContact O-N 3.2Å; L119-S123 PolarHBondContact O-OG 3.2Å; L119-S123 VanDerWaalsContact O-OG 3.07Å
120E97.5Very high96.8Very high135 Ų13551.5 Ų51.563%0.63131%0.305SS*.Hα-helixtrans-57.8-55.5176.3-176.4177.5-172.500111.1L116 K117 M122 S123 E124L116-E120 WeakPolarHBondContact O-CB 3.38Å; L116-E120 PolarHBondContact O-N 2.97Å; K117-E120 PolarHBondContact O-N 3.47Å; E120-M122 VanDerWaalsContact C-N 3.34Å; E120-M122 PolarHBondContact O-N 3.36Å; E120-S123 PolarHBondContact O-N 3.01Å; E120-S123 PolarHBondContact O-OG 2.96Å; E120-E124 PolarHBondContact O-N 2.78Å; E120-E124 VanDerWaalsContact O-N 3.07Å
121V97.9Very high96.9Very high16 Ų1656 Ų5610%0.09733%0.326CS..Hα-helixtrans-57.6-45.5-180171.50000111.8K117 V118 A125 R160 A164 Q167 C168 I171K117-V121 WeakPolarHBondContact O-CG2 3.38Å; K117-V121 PolarHBondContact O-N 3.5Å; V118-V121 PolarHBondContact O-N 2.88Å; V121-A125 WeakPolarHBondContact O-CB 3.22Å; V121-A125 PolarHBondContact O-N 3.31Å; V121-R160 PolarHBondContact O-NH2 2.91Å; V121-A164 HydrophobicContact CG1-CB 4.43Å; V121-Q167 VanDerWaalsContact CG1-OE1 3.29Å; V121-C168 VanDerWaalsContact CG1-SG 3.6Å; V121-I171 HydrophobicContact CG2-CD1 3.93Å
122M97.5Very high96.9Very high0 Ų051.6 Ų51.60%030%0.299CS..Hα-helixtrans-71.3-38.5-178.5-73.9-59.3-52.100112.7L59 I60 I63 M110 V118 L119 E120 E124 A125 V126 L161 A164L59-M122 HydrophobicContact CD2-CE 4.39Å; L59-M122 HydrophobicContact CD2-CG 4.31Å; L59-M122 HydrophobicContact CG-CE 4.48Å; I60-M122 HydrophobicContact CD1-CE 3.75Å; I60-M122 HydrophobicContact CD1-SD 3.77Å; I63-M122 HydrophobicContact CG1-CE 4.27Å; M110-M122 HydrophobicContact CE-CB 4.48Å; M110-M122 HydrophobicContact CG-CB 4.38Å; M110-M122 HydrophobicContact CG-CG 4.48Å; M110-M122 HydrophobicContact SD-CB 3.28Å; M110-M122 WeakPolarHBondContact SD-CB 3.38Å; M110-M122 HydrophobicContact SD-CG 3.96Å; V118-M122 HydrophobicContact CG1-CG 4.22Å; V118-M122 WeakPolarHBondContact O-CB 3.13Å; V118-M122 WeakPolarHBondContact O-CG 3.15Å; V118-M122 PolarHBondContact O-N 3.37Å; L119-M122 PolarHBondContact O-N 2.98Å; E120-M122 VanDerWaalsContact C-N 3.34Å; E120-M122 PolarHBondContact O-N 3.36Å; M122-E124 VanDerWaalsContact C-N 3.33Å; M122-E124 PolarHBondContact O-N 3.28Å; M122-A125 PolarHBondContact O-N 3.09Å; M122-V126 WeakPolarHBondContact O-CG2 3.43Å; M122-V126 PolarHBondContact O-N 3.38Å; M122-L161 HydrophobicContact CE-CD1 4.34Å; M122-A164 HydrophobicContact SD-CB 3.75Å
123S96.3Very high96.8Very high57 Ų5749 Ų4940%0.39928%0.277SS..Hα-helixtrans-61.9-43.317765.80000111.4L119 E120 V126 N127L119-S123 VanDerWaalsContact O-CB 3.24Å; L119-S123 WeakPolarHBondContact O-CB 3.48Å; L119-S123 PolarHBondContact O-N 3.2Å; L119-S123 PolarHBondContact O-OG 3.2Å; L119-S123 VanDerWaalsContact O-OG 3.07Å; E120-S123 PolarHBondContact O-N 3.01Å; E120-S123 PolarHBondContact O-OG 2.96Å; S123-V126 PolarHBondContact O-N 2.96Å; S123-N127 PolarHBondContact O-N 3.07Å; S123-N127 VanDerWaalsContact O-N 3.12Å
124E97.5Very high96.7Very high104 Ų10451.8 Ų51.849%0.48630%0.295SS..Hα-helixtrans-64.3-44173.4-175.760.4-153.600111.3E120 M122 V126 N127 V128E120-E124 PolarHBondContact O-N 2.78Å; E120-E124 VanDerWaalsContact O-N 3.07Å; M122-E124 VanDerWaalsContact C-N 3.33Å; M122-E124 PolarHBondContact O-N 3.28Å; E124-V126 PolarHBondContact O-N 3.42Å; E124-N127 PolarHBondContact O-N 2.8Å; E124-V128 HydrophobicContact CG-CG2 4.46Å; E124-V128 WeakPolarHBondContact O-CB 3.32Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.02Å
125A97.8Very high96.7Very high0 Ų049.7 Ų49.70%027%0.267CS..Hα-helixtrans-58.5-46178.400000112.3V121 M122 V128 I129 R160 A164V121-A125 WeakPolarHBondContact O-CB 3.22Å; V121-A125 PolarHBondContact O-N 3.31Å; M122-A125 PolarHBondContact O-N 3.09Å; A125-V128 PolarHBondContact O-N 3.07Å; A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 WeakPolarHBondContact O-CG1 3.36Å; A125-I129 PolarHBondContact O-N 3.49Å; A125-R160 HydrophobicContact CB-CG 3.95Å; A125-A164 HydrophobicContact CB-CB 3.78Å
126V96.5Very high96.6Very high17 Ų1749.6 Ų49.610%0.10326%0.263CS..Hα-helixtrans-65.8-39.1179.5172.90000111.3I63 Y103 M122 S123 E124 I129 A130I63-V126 HydrophobicContact CD1-CG2 3.88Å; I63-V126 HydrophobicContact CG1-CG2 4.35Å; I63-V126 HydrophobicContact CG2-CG2 4.09Å; Y103-V126 HydrophobicContact CD1-CG1 4.42Å; Y103-V126 HydrophobicContact CE1-CG1 3.69Å; Y103-V126 HydrophobicContact CE1-CG2 4.48Å; M122-V126 WeakPolarHBondContact O-CG2 3.43Å; M122-V126 PolarHBondContact O-N 3.38Å; S123-V126 PolarHBondContact O-N 2.96Å; E124-V126 PolarHBondContact O-N 3.42Å; V126-I129 PolarHBondContact O-N 3.1Å; V126-A130 PolarHBondContact O-N 3.49Å; V126-A130 VanDerWaalsContact O-N 3.1Å
127N97.1Very high96.4Very high78 Ų7847.9 Ų47.942%0.41725%0.254SS..Hα-helixtrans-63-47.9175.1-17371.2000111.6S123 E124 I129 A130 E131S123-N127 PolarHBondContact O-N 3.07Å; S123-N127 VanDerWaalsContact O-N 3.12Å; E124-N127 PolarHBondContact O-N 2.8Å; N127-I129 VanDerWaalsContact C-N 3.3Å; N127-I129 PolarHBondContact O-N 2.53Å; N127-A130 PolarHBondContact O-N 2.91Å; N127-E131 PolarHBondContact ND2-OE1 2.9Å; N127-E131 WeakPolarHBondContact O-CG 3.49Å; N127-E131 PolarHBondContact O-N 2.72Å
128V98Very high96.2Very high19 Ų1950 Ų5012%0.11527%0.267CS..Hα-helixtrans-60-38.8177.4168.60000111.8E124 A125 E131 G132 Y155 S156 R160E124-V128 HydrophobicContact CG-CG2 4.46Å; E124-V128 WeakPolarHBondContact O-CB 3.32Å; E124-V128 WeakPolarHBondContact O-CG2 3.49Å; E124-V128 PolarHBondContact O-N 3.02Å; A125-V128 PolarHBondContact O-N 3.07Å; V128-E131 PolarHBondContact O-N 3.12Å; V128-G132 PolarHBondContact O-N 3.24Å; V128-Y155 HydrophobicContact CG1-CE1 4.33Å; V128-S156 WeakPolarHBondContact CG1-OG 3.3Å; V128-S156 WeakPolarHBondContact O-CB 3.47Å; V128-R160 HydrophobicContact CB-CG 4.11Å; V128-R160 HydrophobicContact CG1-CB 4.19Å; V128-R160 HydrophobicContact CG1-CG 3.86Å
129I97.2Very high96Very high3 Ų350.8 Ų50.82%0.01527%0.271CS..Hα-helixtrans-62.4-47.8176-69159.1000110.7I63 T67 A125 V126 N127 E131 G132 E133 S156 R160 L161I63-I129 HydrophobicContact CG2-CD1 4.49Å; T67-I129 HydrophobicContact CG2-CG2 3.85Å; A125-I129 WeakPolarHBondContact O-CD1 3.39Å; A125-I129 WeakPolarHBondContact O-CG1 3.36Å; A125-I129 PolarHBondContact O-N 3.49Å; V126-I129 PolarHBondContact O-N 3.1Å; N127-I129 VanDerWaalsContact C-N 3.3Å; N127-I129 PolarHBondContact O-N 2.53Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.06Å; I129-G132 WeakPolarHBondContact O-CA 3.41Å; I129-G132 PolarHBondContact O-N 3.47Å; I129-E133 PolarHBondContact O-N 3.42Å; I129-S156 WeakPolarHBondContact CA-O 3.3Å; I129-S156 VanDerWaalsContact CG1-O 3.26Å; I129-S156 WeakPolarHBondContact CG1-O 3.46Å; I129-R160 HydrophobicContact CG1-CB 4.36Å; I129-L161 HydrophobicContact CD1-CB 3.84Å; I129-L161 HydrophobicContact CD1-CD1 4.08Å; I129-L161 HydrophobicContact CD1-CG 4.36Å
130A96Very high95.8Very high52 Ų5250 Ų5043%0.4327%0.268SS..Hα-helixtrans-61.7-40.7177.700000112.2V126 N127 G132 E133 V134V126-A130 PolarHBondContact O-N 3.49Å; V126-A130 VanDerWaalsContact O-N 3.1Å; N127-A130 PolarHBondContact O-N 2.91Å; A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.41Å; A130-E133 PolarHBondContact O-N 2.96Å; A130-V134 WeakPolarHBondContact O-CG2 3.43Å; A130-V134 PolarHBondContact O-N 2.61Å
131E96.7Very high95.6Very high95 Ų9547 Ų4744%0.44426%0.257SS..Hα-helixtrans-62.2-36.2172-71.3178.8-175.300112.2N127 V128 I129 V134 L135N127-E131 PolarHBondContact ND2-OE1 2.9Å; N127-E131 WeakPolarHBondContact O-CG 3.49Å; N127-E131 PolarHBondContact O-N 2.72Å; V128-E131 PolarHBondContact O-N 3.12Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 3.06Å; E131-V134 PolarHBondContact O-N 3.26Å; E131-L135 VanDerWaalsContact O-CB 3.29Å; E131-L135 WeakPolarHBondContact O-CB 3.42Å; E131-L135 PolarHBondContact O-N 3.31Å
132G96.1Very high95.6Very high0 Ų049.2 Ų49.20%027%0.268CS..Hα-helixtrans-62.2-44.5176.200000113.4V128 I129 A130 L135 Q136V128-G132 PolarHBondContact O-N 3.24Å; I129-G132 WeakPolarHBondContact O-CA 3.41Å; I129-G132 PolarHBondContact O-N 3.47Å; A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.41Å; G132-L135 PolarHBondContact O-N 3.04Å; G132-Q136 PolarHBondContact O-N 2.92Å
133E93.8Very high95.4Very high33 Ų3349.5 Ų49.515%0.15427%0.27CS..Hα-helixtrans-61.8-44.9175.4-68.1-59.9158.700111.5I129 A130 L135 Q136 L137 K157I129-E133 PolarHBondContact O-N 3.42Å; A130-E133 PolarHBondContact O-N 2.96Å; E133-L135 PolarHBondContact O-N 3.31Å; E133-Q136 PolarHBondContact O-N 3.3Å; E133-L137 PolarHBondContact O-N 3.2Å; E133-K157 WeakPolarHBondContact OE1-CD 3.47Å; E133-K157 WeakPolarHBondContact OE1-CE 3.18Å; E133-K157 VanDerWaalsContact OE1-CG 3.28Å; E133-K157 WeakPolarHBondContact OE1-CG 3.49Å; E133-K157 WeakPolarHBondContact OE2-CE 3.21Å; E133-K157 IonicContact OE2-NZ 2.83Å
134V95.3Very high95.4Very high84 Ų8451.8 Ų51.851%0.50928%0.278SS..Hα-helixtrans-64.5-41.7177.1176.70000111.1A130 E131 Q136 L137 M138A130-V134 WeakPolarHBondContact O-CG2 3.43Å; A130-V134 PolarHBondContact O-N 2.61Å; E131-V134 PolarHBondContact O-N 3.26Å; V134-Q136 VanDerWaalsContact C-N 3.35Å; V134-Q136 PolarHBondContact O-N 3.21Å; V134-L137 PolarHBondContact O-N 3.46Å; V134-M138 HydrophobicContact CG1-SD 4.33Å; V134-M138 WeakPolarHBondContact O-CG 3.38Å; V134-M138 PolarHBondContact O-N 3.26Å
135L94.7Very high95.3Very high28 Ų2847.1 Ų47.115%0.14726%0.256CS..Hα-helixtrans-63.7-40.7177.4-176.264.1000111.6E131 G132 E133 M138 N139 R152 V153E131-L135 VanDerWaalsContact O-CB 3.29Å; E131-L135 WeakPolarHBondContact O-CB 3.42Å; E131-L135 PolarHBondContact O-N 3.31Å; G132-L135 PolarHBondContact O-N 3.04Å; E133-L135 PolarHBondContact O-N 3.31Å; L135-M138 PolarHBondContact O-N 2.76Å; L135-N139 PolarHBondContact O-N 3.39Å; L135-N139 VanDerWaalsContact O-N 3.12Å; L135-N139 PolarHBondContact O-ND2 3.12Å; L135-N139 PolarHBondContact O-OD1 2.89Å; L135-R152 HydrophobicContact CD2-CB 4.34Å; L135-R152 HydrophobicContact CD2-CG 3.82Å; L135-V153 HydrophobicContact CB-CG2 4.22Å; L135-V153 HydrophobicContact CD2-CG2 3.69Å; L135-V153 HydrophobicContact CG-CG2 3.65Å
136Q94Very high95.1Very high29 Ų2950.4 Ų50.414%0.13628%0.276CS..Hα-helixtrans-60.2-48.6173.4-173.4-173-9300110.6G132 E133 V134 M138 N139 V140 V153G132-Q136 PolarHBondContact O-N 2.92Å; E133-Q136 PolarHBondContact O-N 3.3Å; V134-Q136 VanDerWaalsContact C-N 3.35Å; V134-Q136 PolarHBondContact O-N 3.21Å; Q136-M138 PolarHBondContact O-N 3.06Å; Q136-N139 CarbonylContact O-C 3.6Å; Q136-N139 PolarHBondContact O-N 3.09Å; Q136-V140 WeakPolarHBondContact O-CG2 3.26Å; Q136-V140 PolarHBondContact O-N 3.29Å; Q136-V153 HydrophobicContact CB-CG1 3.73Å; Q136-V153 HydrophobicContact CG-CG1 4.06Å
137L92.8Very high95.1Very high106 Ų10653.1 Ų53.156%0.55529%0.288SS*.Hα-helixtrans-57.9-36.9178.5-177.765.4000112.4E133 V134 N139E133-L137 PolarHBondContact O-N 3.2Å; V134-L137 PolarHBondContact O-N 3.46Å; L137-N139 VanDerWaalsContact C-N 3.33Å
138M93Very high95Very high138 Ų13856.9 Ų56.968%0.6830%0.303SS*.Hα-helixtrans-70.2-27.8175.5-71.8179.162.500113.7V134 L135 Q136V134-M138 HydrophobicContact CG1-SD 4.33Å; V134-M138 WeakPolarHBondContact O-CG 3.38Å; V134-M138 PolarHBondContact O-N 3.26Å; L135-M138 PolarHBondContact O-N 2.76Å; Q136-M138 PolarHBondContact O-N 3.06Å
139N93.4Very high94.9Very high17 Ų1758.9 Ų58.99%0.09131%0.313CS..Hα-helixtrans-89.7-14.2-179-69.4-7.9000112.7L135 Q136 L137 N141 D142 I145 V153L135-N139 PolarHBondContact O-N 3.39Å; L135-N139 VanDerWaalsContact O-N 3.12Å; L135-N139 PolarHBondContact O-ND2 3.12Å; L135-N139 PolarHBondContact O-OD1 2.89Å; Q136-N139 CarbonylContact O-C 3.6Å; Q136-N139 PolarHBondContact O-N 3.09Å; L137-N139 VanDerWaalsContact C-N 3.33Å; N139-N141 PolarHBondContact O-N 3.41Å; N139-D142 WeakPolarHBondContact O-CB 3.38Å; N139-D142 PolarHBondContact O-N 3.03Å; N139-D142 VanDerWaalsContact O-N 3.08Å; N139-I145 HydrophobicContact CB-CG2 3.95Å; N139-V153 WeakPolarHBondContact ND2-CG2 3.39Å
140V91.7Very high94.9Very high38 Ų3859.1 Ų59.123%0.2331%0.314CS..THydrogen-bonded Turntrans-58.1136.2173.2166.50000109.2Q136 D142 E220 K222Q136-V140 WeakPolarHBondContact O-CG2 3.26Å; Q136-V140 PolarHBondContact O-N 3.29Å; V140-D142 PolarHBondContact O-N 3.13Å; V140-E220 WeakPolarHBondContact CG1-O 3.5Å; V140-K222 HydrophobicContact CG2-CG 4.1Å
141N94.7Very high94.9Very high74 Ų7458.9 Ų58.940%0.39630%0.304SS..THydrogen-bonded Turntrans64.111.4-175.3-50.7-28.8000115.1N139 P143 G221 I246N139-N141 PolarHBondContact O-N 3.41Å; N141-P143 WeakPolarHBondContact O-CD 3.49Å; N141-G221 PolarHBondContact N-O 2.96Å; N141-I246 WeakPolarHBondContact CA-O 3.5Å; N141-I246 PolarHBondContact OD1-O 2.94Å; N141-I246 VanDerWaalsContact OD1-O 3.12Å
142D96.3Very high95Very high62 Ų6260.9 Ų60.933%0.33231%0.308SS..  trans-103.4100.8171.9-173-0.9000110.6N139 V140 D144 I145N139-D142 WeakPolarHBondContact O-CB 3.38Å; N139-D142 PolarHBondContact O-N 3.03Å; N139-D142 VanDerWaalsContact O-N 3.08Å; V140-D142 PolarHBondContact O-N 3.13Å; D142-D144 PolarHBondContact O-N 3.12Å; D142-D144 WeakPolarHBondContact OD1-CB 3.46Å; D142-D144 PolarHBondContact OD1-N 3.35Å; D142-I145 HydrophobicContact CB-CG2 3.94Å
143P94.6Very high95Very high5 Ų561.3 Ų61.33%0.03231%0.311CS..THydrogen-bonded Turntrans-72.1-14.5176.933.3-39.9000113.2N141 I145 M231 R243 I246 E247N141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-I145 VanDerWaalsContact C-N 3.35Å; P143-M231 HydrophobicContact CB-SD 4.31Å; P143-M231 WeakPolarHBondContact O-CE 3.33Å; P143-R243 HydrophobicContact CB-CB 4.28Å; P143-R243 HydrophobicContact CB-CG 3.86Å; P143-R243 HydrophobicContact CG-CG 3.8Å; P143-R243 VanDerWaalsContact CG-NH1 3.32Å; P143-I246 HydrophobicContact CB-CB 4.3Å; P143-I246 HydrophobicContact CB-CD1 4.33Å; P143-I246 HydrophobicContact CB-CG2 4.14Å; P143-E247 HydrophobicContact CG-CG 3.73Å
144D95.5Very high95.2Very high105 Ų10560.1 Ų60.156%0.56131%0.305SS*.THydrogen-bonded Turntrans-93.810.6-173.1-69.4-47.3000113.4D142 R243D142-D144 PolarHBondContact O-N 3.12Å; D142-D144 WeakPolarHBondContact OD1-CB 3.46Å; D142-D144 PolarHBondContact OD1-N 3.35Å; D144-R243 IonicContact OD1-CZ 3.12Å; D144-R243 IonicContact OD1-NH1 2.63Å; D144-R243 PolarHBondContact OD1-NH1 3.42Å; D144-R243 IonicContact OD1-NH2 3.99Å; D144-R243 PolarHBondContact OD1-NH2 2.96Å; D144-R243 IonicContact OD2-CZ 2.73Å; D144-R243 IonicContact OD2-NH1 2.83Å; D144-R243 PolarHBondContact OD2-NH1 2.93Å
145I95.2Very high95.4Very high7 Ų758.1 Ų58.14%0.03629%0.289CS..  trans-62.4143.9174.869.2152.4000111.5N139 D142 P143 N149 P223 L228N139-I145 HydrophobicContact CB-CG2 3.95Å; D142-I145 HydrophobicContact CB-CG2 3.94Å; P143-I145 VanDerWaalsContact C-N 3.35Å; I145-N149 HydrophobicContact CB-CB 4.35Å; I145-P223 HydrophobicContact CD1-CB 3.87Å; I145-P223 HydrophobicContact CD1-CG 3.37Å; I145-P223 HydrophobicContact CG1-CB 3.83Å; I145-P223 HydrophobicContact CG1-CG 3.62Å; I145-P223 HydrophobicContact CG2-CG 4.48Å; I145-L228 HydrophobicContact CD1-CD1 4.09Å; I145-L228 HydrophobicContact CG1-CD1 4.17Å; I145-L228 HydrophobicContact CG1-CD2 3.98Å
146T94.9Very high95.5Very high68 Ų6857.1 Ų57.142%0.41728%0.284SS..  trans-80.815817664.10000111.1E148 N149 Y150T146-E148 PolarHBondContact O-N 3.36Å; T146-N149 PolarHBondContact O-N 2.85Å; T146-N149 VanDerWaalsContact O-N 3.09Å; T146-N149 PolarHBondContact OG1-N 3.33Å; T146-Y150 PolarHBondContact O-N 3.4Å
147E95.3Very high95.6Very high75 Ų7557.7 Ų57.735%0.3529%0.286SS..Hα-helixtrans-54.5-36.4168.4-177.1177.3153.600110.9Y150 M151 L225 R274E147-Y150 PolarHBondContact O-N 3.1Å; E147-M151 HydrophobicContact CG-CG 4.27Å; E147-M151 WeakPolarHBondContact O-CB 3.48Å; E147-M151 WeakPolarHBondContact O-CG 3.38Å; E147-M151 PolarHBondContact O-N 3.43Å; E147-L225 HydrophobicContact CG-CD1 4.04Å; E147-R274 IonicContact OE1-CZ 2.68Å; E147-R274 IonicContact OE1-NE 2.66Å; E147-R274 IonicContact OE1-NH2 3.24Å; E147-R274 PolarHBondContact OE1-NH2 3.13Å
148E96Very high95.7Very high157 Ų15753 Ų5373%0.73426%0.262SS*.Hα-helixtrans-62-44.4175.8-175.6179.3-177.600112.6T146 M151 R152T146-E148 PolarHBondContact O-N 3.36Å; E148-M151 PolarHBondContact O-N 2.8Å; E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 PolarHBondContact O-N 3.38Å
149N94.9Very high96Very high60 Ų6046.4 Ų46.432%0.32123%0.229SC..Hα-helixtrans-63.3-43.9176-76.5-14.6000111.2I145 T146 R152 V153I145-N149 HydrophobicContact CB-CB 4.35Å; T146-N149 PolarHBondContact O-N 2.85Å; T146-N149 VanDerWaalsContact O-N 3.09Å; T146-N149 PolarHBondContact OG1-N 3.33Å; N149-R152 PolarHBondContact O-N 3.36Å; N149-V153 WeakPolarHBondContact O-CG2 3.24Å; N149-V153 PolarHBondContact O-N 3.04Å
150Y97.2Very high96.2Very high9 Ų946.2 Ų46.24%0.03523%0.227CC..Hα-helixtrans-58.3-50.1174.2167-93000111.6T146 E147 R152 V153 I154 L196 D199 L225 L228T146-Y150 PolarHBondContact O-N 3.4Å; E147-Y150 PolarHBondContact O-N 3.1Å; Y150-R152 VanDerWaalsContact C-N 3.25Å; Y150-R152 PolarHBondContact O-N 2.92Å; Y150-V153 WeakPolarHBondContact O-CB 3.45Å; Y150-V153 PolarHBondContact O-N 3.04Å; Y150-I154 HydrophobicContact CD2-CG2 4.36Å; Y150-I154 HydrophobicContact CE1-CD1 3.7Å; Y150-I154 HydrophobicContact CE1-CG1 4.21Å; Y150-I154 HydrophobicContact CE1-CG2 4.15Å; Y150-I154 HydrophobicContact CE2-CG2 3.69Å; Y150-I154 PolarHBondContact O-N 3.11Å; Y150-L196 HydrophobicContact CE1-CD2 3.85Å; Y150-D199 VanDerWaalsContact CE2-OD2 3.25Å; Y150-D199 WeakPolarHBondContact CE2-OD2 3.34Å; Y150-D199 VanDerWaalsContact CZ-OD2 3.3Å; Y150-D199 PolarHBondContact OH-OD2 2.67Å; Y150-L225 HydrophobicContact CD1-CB 4.11Å; Y150-L225 HydrophobicContact CD1-CD1 4.09Å; Y150-L225 HydrophobicContact CE1-CB 3.53Å; Y150-L225 HydrophobicContact CE1-CD1 4.2Å; Y150-L225 HydrophobicContact CE1-CD2 4.23Å; Y150-L225 HydrophobicContact CE1-CG 4.18Å; Y150-L225 HydrophobicContact CE2-CB 4.24Å; Y150-L228 HydrophobicContact CG-CD1 4.3Å
151M97.9Very high96.5Very high47 Ų4744.7 Ų44.723%0.23222%0.218CC..Hα-helixtrans-60.7-36.2-179.9-70.5-56.6-66.500111.8E147 E148 I154 Y155 T192 L196E147-M151 HydrophobicContact CG-CG 4.27Å; E147-M151 WeakPolarHBondContact O-CB 3.48Å; E147-M151 WeakPolarHBondContact O-CG 3.38Å; E147-M151 PolarHBondContact O-N 3.43Å; E148-M151 PolarHBondContact O-N 2.8Å; M151-I154 HydrophobicContact CE-CD1 4.12Å; M151-I154 WeakPolarHBondContact O-CG1 3.33Å; M151-I154 HydrophobicContact SD-CD1 3.85Å; M151-I154 HydrophobicContact SD-CG1 4.43Å; M151-Y155 VanDerWaalsContact O-CB 3.26Å; M151-Y155 WeakPolarHBondContact O-CB 3.18Å; M151-Y155 PolarHBondContact O-N 2.9Å; M151-T192 HydrophobicContact CE-CG2 3.52Å; M151-L196 HydrophobicContact SD-CD2 4.48Å
152R97.5Very high96.7Very high136 Ų13641.2 Ų41.251%0.51320%0.199SC..Hα-helixtrans-64.3-42.8173.6-177.1179.1171-169-4111.9L135 E148 N149 Y150 Y155 S156L135-R152 HydrophobicContact CD2-CB 4.34Å; L135-R152 HydrophobicContact CD2-CG 3.82Å; E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 PolarHBondContact O-N 3.38Å; N149-R152 PolarHBondContact O-N 3.36Å; Y150-R152 VanDerWaalsContact C-N 3.25Å; Y150-R152 PolarHBondContact O-N 2.92Å; R152-Y155 PolarHBondContact O-N 3.27Å; R152-S156 WeakPolarHBondContact O-CB 3.49Å; R152-S156 PolarHBondContact O-N 3.31Å; R152-S156 PolarHBondContact O-OG 3.49Å
153V97.3Very high96.8Very high10 Ų1038.4 Ų38.46%0.06118%0.184CC..Hα-helixtrans-60.3-54.4177.2169.50000110.8L135 Q136 N139 N149 Y150 Y155 S156 K157L135-V153 HydrophobicContact CB-CG2 4.22Å; L135-V153 HydrophobicContact CD2-CG2 3.69Å; L135-V153 HydrophobicContact CG-CG2 3.65Å; Q136-V153 HydrophobicContact CB-CG1 3.73Å; Q136-V153 HydrophobicContact CG-CG1 4.06Å; N139-V153 WeakPolarHBondContact ND2-CG2 3.39Å; N149-V153 WeakPolarHBondContact O-CG2 3.24Å; N149-V153 PolarHBondContact O-N 3.04Å; Y150-V153 WeakPolarHBondContact O-CB 3.45Å; Y150-V153 PolarHBondContact O-N 3.04Å; V153-Y155 VanDerWaalsContact C-N 3.26Å; V153-Y155 PolarHBondContact O-N 3.25Å; V153-S156 PolarHBondContact O-N 2.75Å; V153-S156 VanDerWaalsContact O-N 3.17Å; V153-K157 VanDerWaalsContact O-CB 3.29Å; V153-K157 WeakPolarHBondContact O-CB 3.05Å; V153-K157 PolarHBondContact O-N 2.91Å
154I97.6Very high97Very high7 Ų738.2 Ų38.24%0.03618%0.183CC..Hα-helixtrans-66.7-30.3-176.764.7162.6000112.5Y150 M151 T158 A159 T192 Q195 L196Y150-I154 HydrophobicContact CD2-CG2 4.36Å; Y150-I154 HydrophobicContact CE1-CD1 3.7Å; Y150-I154 HydrophobicContact CE1-CG1 4.21Å; Y150-I154 HydrophobicContact CE1-CG2 4.15Å; Y150-I154 HydrophobicContact CE2-CG2 3.69Å; Y150-I154 PolarHBondContact O-N 3.11Å; M151-I154 HydrophobicContact CE-CD1 4.12Å; M151-I154 WeakPolarHBondContact O-CG1 3.33Å; M151-I154 HydrophobicContact SD-CD1 3.85Å; M151-I154 HydrophobicContact SD-CG1 4.43Å; I154-T158 WeakPolarHBondContact O-CB 3.35Å; I154-T158 PolarHBondContact O-N 3.26Å; I154-T158 VanDerWaalsContact O-N 3.07Å; I154-A159 PolarHBondContact O-N 3.34Å; I154-A159 VanDerWaalsContact O-N 3.1Å; I154-T192 HydrophobicContact CD1-CG2 3.9Å; I154-Q195 HydrophobicContact CB-CB 4Å; I154-Q195 HydrophobicContact CB-CG 3.64Å; I154-Q195 HydrophobicContact CD1-CB 4.46Å; I154-Q195 HydrophobicContact CG2-CB 4.35Å; I154-Q195 HydrophobicContact CG2-CG 3.52Å; I154-L196 HydrophobicContact CD1-CD2 3.86Å; I154-L196 HydrophobicContact CD1-CG 4Å
155Y98.5Very high97.1Very high42 Ų4233.2 Ų33.217%0.16516%0.156CC..Iπ-helixtrans-62.5-55.4171.3171.9-104.1000110.6V128 M151 R152 V153 A159 R160 E163 R188V128-Y155 HydrophobicContact CG1-CE1 4.33Å; M151-Y155 VanDerWaalsContact O-CB 3.26Å; M151-Y155 WeakPolarHBondContact O-CB 3.18Å; M151-Y155 PolarHBondContact O-N 2.9Å; R152-Y155 PolarHBondContact O-N 3.27Å; V153-Y155 VanDerWaalsContact C-N 3.26Å; V153-Y155 PolarHBondContact O-N 3.25Å; Y155-A159 HydrophobicContact CD2-CB 3.89Å; Y155-A159 CarbonylContact O-C 2.94Å; Y155-A159 PolarHBondContact O-N 3.25Å; Y155-A159 VanDerWaalsContact O-N 3.09Å; Y155-R160 WeakPolarHBondContact O-CB 3.46Å; Y155-R160 PolarHBondContact O-N 3.39Å; Y155-R160 WeakPolarHBondContact OH-CD 3.44Å; Y155-E163 WeakPolarHBondContact CE2-OE2 3.38Å; Y155-E163 PolarHBondContact OH-OE2 3.49Å; Y155-R188 HydrophobicContact CD2-CG 4.19Å; Y155-R188 HydrophobicContact CE2-CG 3.89Å; Y155-R188 VanDerWaalsContact CE2-NH2 3.34Å; Y155-R188 PolarHBondContact OH-NH2 2.83Å; Y155-R188 VanDerWaalsContact OH-NH2 3.14Å
156S97.7Very high97.3Very high8 Ų832.9 Ų32.96%0.05615%0.154CC..Iπ-helixtrans-64-49.4-175.3-71.80000112V128 I129 R152 V153V128-S156 WeakPolarHBondContact CG1-OG 3.3Å; V128-S156 WeakPolarHBondContact O-CB 3.47Å; I129-S156 WeakPolarHBondContact CA-O 3.3Å; I129-S156 VanDerWaalsContact CG1-O 3.26Å; I129-S156 WeakPolarHBondContact CG1-O 3.46Å; R152-S156 WeakPolarHBondContact O-CB 3.49Å; R152-S156 PolarHBondContact O-N 3.31Å; R152-S156 PolarHBondContact O-OG 3.49Å; V153-S156 PolarHBondContact O-N 2.75Å; V153-S156 VanDerWaalsContact O-N 3.17Å
157K95.1Very high97.4Very high41 Ų4130.3 Ų30.318%0.17814%0.138CC..Iπ-helixtrans-67.2-45-176.9-178.6170.2-170.7-168.10112.9E133 V153E133-K157 WeakPolarHBondContact OE1-CD 3.47Å; E133-K157 WeakPolarHBondContact OE1-CE 3.18Å; E133-K157 VanDerWaalsContact OE1-CG 3.28Å; E133-K157 WeakPolarHBondContact OE1-CG 3.49Å; E133-K157 WeakPolarHBondContact OE2-CE 3.21Å; E133-K157 IonicContact OE2-NZ 2.83Å; V153-K157 VanDerWaalsContact O-CB 3.29Å; V153-K157 WeakPolarHBondContact O-CB 3.05Å; V153-K157 PolarHBondContact O-N 2.91Å
158T95.9Very high97.6Very high7 Ų726.7 Ų26.74%0.04312%0.121CC..Iπ-helixtrans-116-56.5-168.6-67.30000112.7I154 R160 L161 F162 F194 Q195I154-T158 WeakPolarHBondContact O-CB 3.35Å; I154-T158 PolarHBondContact O-N 3.26Å; I154-T158 VanDerWaalsContact O-N 3.07Å; T158-R160 VanDerWaalsContact C-N 3.34Å; T158-R160 PolarHBondContact O-N 2.93Å; T158-L161 PolarHBondContact O-N 3.12Å; T158-F162 HydrophobicContact CG2-CD2 4.38Å; T158-F162 HydrophobicContact CG2-CE2 4.03Å; T158-F162 WeakPolarHBondContact O-CD2 3.26Å; T158-F194 HydrophobicContact CG2-CD1 4.38Å; T158-Q195 VanDerWaalsContact CB-OE1 3.31Å; T158-Q195 HydrophobicContact CG2-CB 4Å; T158-Q195 PolarHBondContact OG1-OE1 3.44Å
159A98.2Very high97.7Very high0 Ų019.2 Ų19.20%09%0.086CC..Iπ-helixtrans-68.8-31.8-168.300000113.6I154 Y155 L161 F162 E163 R188I154-A159 PolarHBondContact O-N 3.34Å; I154-A159 VanDerWaalsContact O-N 3.1Å; Y155-A159 HydrophobicContact CD2-CB 3.89Å; Y155-A159 CarbonylContact O-C 2.94Å; Y155-A159 PolarHBondContact O-N 3.25Å; Y155-A159 VanDerWaalsContact O-N 3.09Å; A159-L161 VanDerWaalsContact C-N 3.26Å; A159-L161 PolarHBondContact O-N 3.08Å; A159-F162 WeakPolarHBondContact O-CB 3.5Å; A159-F162 PolarHBondContact O-N 3.35Å; A159-E163 PolarHBondContact O-N 3.24Å; A159-R188 WeakPolarHBondContact CB-O 3.21Å
160R98.4Very high97.8Very high13 Ų1316.4 Ų16.45%0.0497%0.071CC..Hα-helixtrans-60.3-35.3-178.9-177.361.8-176.4119.811.6112.5V121 A125 V128 I129 Y155 T158 E163 A164V121-R160 PolarHBondContact O-NH2 2.91Å; A125-R160 HydrophobicContact CB-CG 3.95Å; V128-R160 HydrophobicContact CB-CG 4.11Å; V128-R160 HydrophobicContact CG1-CB 4.19Å; V128-R160 HydrophobicContact CG1-CG 3.86Å; I129-R160 HydrophobicContact CG1-CB 4.36Å; Y155-R160 WeakPolarHBondContact O-CB 3.46Å; Y155-R160 PolarHBondContact O-N 3.39Å; Y155-R160 WeakPolarHBondContact OH-CD 3.44Å; T158-R160 VanDerWaalsContact C-N 3.34Å; T158-R160 PolarHBondContact O-N 2.93Å; R160-E163 IonicContact CZ-OE1 2.57Å; R160-E163 IonicContact NH1-OE1 3.55Å; R160-E163 PolarHBondContact NH1-OE1 2.9Å; R160-E163 WeakPolarHBondContact O-CB 3.26Å; R160-E163 PolarHBondContact O-N 3.48Å; R160-A164 WeakPolarHBondContact O-CB 3.44Å; R160-A164 PolarHBondContact O-N 2.95Å
161L98Very high97.9Very high6 Ų617 Ų173%0.0317%0.074CC..Hα-helixtrans-73.9-32.5177-167.157.8000112.3I60 I63 H64 M122 I129 T158 A159 A165I60-L161 HydrophobicContact CD1-CD1 3.73Å; I60-L161 HydrophobicContact CG2-CD1 4.39Å; I60-L161 HydrophobicContact CG2-CG 4.21Å; I63-L161 HydrophobicContact CB-CD1 4.24Å; I63-L161 HydrophobicContact CB-CD2 4.46Å; I63-L161 HydrophobicContact CG2-CD1 3.86Å; I63-L161 HydrophobicContact CG2-CD2 4.09Å; H64-L161 HydrophobicContact CB-CD2 3.84Å; M122-L161 HydrophobicContact CE-CD1 4.34Å; I129-L161 HydrophobicContact CD1-CB 3.84Å; I129-L161 HydrophobicContact CD1-CD1 4.08Å; I129-L161 HydrophobicContact CD1-CG 4.36Å; T158-L161 PolarHBondContact O-N 3.12Å; A159-L161 VanDerWaalsContact C-N 3.26Å; A159-L161 PolarHBondContact O-N 3.08Å; L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.11Å
162F98.4Very high97.8Very high0 Ų016.4 Ų16.40%07%0.072CC..Hα-helixtrans-66.1-46170.8-80-114.1000111.1I34 R35 I38 T158 A159 A164 A165 A166 G187 L190 F194I34-F162 HydrophobicContact CG2-CE1 3.64Å; I34-F162 HydrophobicContact CG2-CZ 4.09Å; R35-F162 HydrophobicContact CG-CD2 3.95Å; R35-F162 HydrophobicContact CG-CE1 4.4Å; R35-F162 HydrophobicContact CG-CE2 3.77Å; R35-F162 HydrophobicContact CG-CG 4.37Å; R35-F162 HydrophobicContact CG-CZ 3.98Å; I38-F162 HydrophobicContact CD1-CD1 3.18Å; I38-F162 HydrophobicContact CD1-CE1 3.57Å; I38-F162 HydrophobicContact CD1-CG 4.18Å; T158-F162 HydrophobicContact CG2-CD2 4.38Å; T158-F162 HydrophobicContact CG2-CE2 4.03Å; T158-F162 WeakPolarHBondContact O-CD2 3.26Å; A159-F162 WeakPolarHBondContact O-CB 3.5Å; A159-F162 PolarHBondContact O-N 3.35Å; F162-A164 PolarHBondContact O-N 2.75Å; F162-A165 WeakPolarHBondContact O-CB 3.28Å; F162-A165 PolarHBondContact O-N 2.99Å; F162-A166 PolarHBondContact O-N 3.14Å; F162-A166 VanDerWaalsContact O-N 3.14Å; F162-G187 WeakPolarHBondContact CB-O 3.46Å; F162-L190 HydrophobicContact CD1-CD2 4.3Å; F162-L190 HydrophobicContact CD1-CG 4.16Å; F162-L190 HydrophobicContact CE1-CG 4.36Å; F162-F194 HydrophobicContact CE1-CB 4.48Å; F162-F194 HydrophobicContact CE1-CD2 4.48Å; F162-F194 HydrophobicContact CE1-CG 4.4Å; F162-F194 HydrophobicContact CE2-CD1 4.32Å; F162-F194 HydrophobicContact CE2-CG 4.47Å; F162-F194 HydrophobicContact CZ-CB 4.16Å; F162-F194 AromaticContact CZ-CD1 3.98Å; F162-F194 HydrophobicContact CZ-CD1 3.98Å; F162-F194 HydrophobicContact CZ-CD2 4.08Å; F162-F194 HydrophobicContact CZ-CE1 4.41Å; F162-F194 AromaticContact CZ-CG 3.79Å; F162-F194 HydrophobicContact CZ-CG 3.79Å
163E98.7Very high97.7Very high4 Ų411 Ų112%0.0196%0.056CC..Hα-helixtrans-53-53.5173.9-174.9-174.3126.900110.6Y155 A159 R160 A165 A166 Q167 Q184 R188Y155-E163 WeakPolarHBondContact CE2-OE2 3.38Å; Y155-E163 PolarHBondContact OH-OE2 3.49Å; A159-E163 PolarHBondContact O-N 3.24Å; R160-E163 IonicContact CZ-OE1 2.57Å; R160-E163 IonicContact NH1-OE1 3.55Å; R160-E163 PolarHBondContact NH1-OE1 2.9Å; R160-E163 WeakPolarHBondContact O-CB 3.26Å; R160-E163 PolarHBondContact O-N 3.48Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.83Å; E163-A166 PolarHBondContact O-N 3.47Å; E163-Q167 VanDerWaalsContact O-CB 3.29Å; E163-Q167 WeakPolarHBondContact O-CB 3.38Å; E163-Q167 PolarHBondContact O-N 3.34Å; E163-Q184 HydrophobicContact CG-CB 4.49Å; E163-Q184 HydrophobicContact CG-CG 3.54Å; E163-Q184 WeakPolarHBondContact CG-O 3.35Å; E163-Q184 PolarHBondContact OE1-NE2 3.48Å; E163-R188 HydrophobicContact CB-CB 4.21Å; E163-R188 HydrophobicContact CG-CB 4.15Å; E163-R188 IonicContact OE2-NE 2.65Å; E163-R188 PolarHBondContact OE2-NE 3.32Å
164A98.4Very high97.7Very high0 Ų013.6 Ų13.60%09%0.085CC..Hα-helixtrans-63.4-38.1179.800000112.5V121 M122 A125 R160 F162 A166 C168V121-A164 HydrophobicContact CG1-CB 4.43Å; M122-A164 HydrophobicContact SD-CB 3.75Å; A125-A164 HydrophobicContact CB-CB 3.78Å; R160-A164 WeakPolarHBondContact O-CB 3.44Å; R160-A164 PolarHBondContact O-N 2.95Å; F162-A164 PolarHBondContact O-N 2.75Å; A164-A166 PolarHBondContact O-N 3.24Å; A164-C168 WeakPolarHBondContact O-CB 3.12Å; A164-C168 PolarHBondContact O-N 3.48Å; A164-C168 PolarHBondContact O-SG 3.2Å
165A98.3Very high97.6Very high0 Ų014.2 Ų14.20%09%0.09CC..Hα-helixtrans-60.6-45.517800000112.5I38 A39 I60 L161 F162 E163 S169I38-A165 HydrophobicContact CG2-CB 4.41Å; A39-A165 HydrophobicContact CB-CB 4.44Å; I60-A165 HydrophobicContact CB-CB 4.49Å; I60-A165 HydrophobicContact CD1-CB 3.87Å; I60-A165 HydrophobicContact CG1-CB 3.84Å; I60-A165 HydrophobicContact CG2-CB 3.96Å; L161-A165 WeakPolarHBondContact O-CB 3.41Å; L161-A165 PolarHBondContact O-N 3.11Å; F162-A165 WeakPolarHBondContact O-CB 3.28Å; F162-A165 PolarHBondContact O-N 2.99Å; E163-A165 VanDerWaalsContact C-N 3.34Å; E163-A165 PolarHBondContact O-N 2.83Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-OG 2.65Å
166A98.5Very high97.6Very high0 Ų015.1 Ų15.10%010%0.1CC..Hα-helixtrans-70.5-49.6177.900000111.4I38 A42 F162 E163 A164 S169 G170 L183 Y186I38-A166 HydrophobicContact CG2-CB 3.71Å; A42-A166 HydrophobicContact CB-CB 4.47Å; F162-A166 PolarHBondContact O-N 3.14Å; F162-A166 VanDerWaalsContact O-N 3.14Å; E163-A166 PolarHBondContact O-N 3.47Å; A164-A166 PolarHBondContact O-N 3.24Å; A166-S169 PolarHBondContact O-N 3.29Å; A166-G170 PolarHBondContact O-N 3.34Å; A166-G170 VanDerWaalsContact O-N 3.15Å; A166-L183 HydrophobicContact CB-CB 4.25Å; A166-L183 WeakPolarHBondContact CB-O 3.28Å; A166-Y186 HydrophobicContact CB-CD1 4.26Å
167Q98.6Very high97.6Very high14 Ų1419.3 Ų19.37%0.06513%0.127CC..Hα-helixtrans-62-49.4-176.4-170.1-172.15.200112V121 E163 S169 G170 I171 E180 Q184V121-Q167 VanDerWaalsContact CG1-OE1 3.29Å; E163-Q167 VanDerWaalsContact O-CB 3.29Å; E163-Q167 WeakPolarHBondContact O-CB 3.38Å; E163-Q167 PolarHBondContact O-N 3.34Å; Q167-S169 VanDerWaalsContact C-N 3.27Å; Q167-S169 PolarHBondContact O-N 3.45Å; Q167-G170 PolarHBondContact O-N 3.04Å; Q167-G170 VanDerWaalsContact O-N 3.12Å; Q167-I171 HydrophobicContact CG-CD1 3.82Å; Q167-I171 HydrophobicContact CG-CG1 4.46Å; Q167-I171 WeakPolarHBondContact O-CG1 3.34Å; Q167-I171 PolarHBondContact O-N 3.01Å; Q167-E180 HydrophobicContact CG-CG 3.87Å; Q167-E180 PolarHBondContact NE2-OE1 3.45Å; Q167-E180 VanDerWaalsContact NE2-OE1 3.11Å; Q167-Q184 HydrophobicContact CB-CB 4.32Å; Q167-Q184 HydrophobicContact CG-CB 4.21Å
168C98.4Very high97.8Very high0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-62.1-36.5-178.4-710000112.1I56 V118 V121 A164 I171 L172I56-C168 HydrophobicContact CD1-CB 4.13Å; I56-C168 VanDerWaalsContact CD1-O 3.3Å; I56-C168 WeakPolarHBondContact CD1-O 3.43Å; I56-C168 HydrophobicContact CG2-CB 4.23Å; V118-C168 HydrophobicContact CG1-CB 4.09Å; V118-C168 HydrophobicContact CG2-CB 4.29Å; V121-C168 VanDerWaalsContact CG1-SG 3.6Å; A164-C168 WeakPolarHBondContact O-CB 3.12Å; A164-C168 PolarHBondContact O-N 3.48Å; A164-C168 PolarHBondContact O-SG 3.2Å; C168-I171 PolarHBondContact O-N 2.9Å; C168-L172 VanDerWaalsContact O-CB 3.29Å; C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 PolarHBondContact O-N 3.47Å
169S97.8Very high97.9Very high0 Ų024 Ų240%015%0.149CC..Hα-helixtrans-64.9-40.3174.6-85.10000112.8A39 A165 A166 Q167 A173A39-S169 VanDerWaalsContact C-OG 3.29Å; A39-S169 VanDerWaalsContact CA-OG 3.31Å; A39-S169 WeakPolarHBondContact CA-OG 3.44Å; A39-S169 VanDerWaalsContact O-CB 3.22Å; A39-S169 WeakPolarHBondContact O-CB 3.4Å; A39-S169 PolarHBondContact O-OG 2.97Å; A165-S169 WeakPolarHBondContact O-CB 3.35Å; A165-S169 PolarHBondContact O-OG 2.65Å; A166-S169 PolarHBondContact O-N 3.29Å; Q167-S169 VanDerWaalsContact C-N 3.27Å; Q167-S169 PolarHBondContact O-N 3.45Å; S169-A173 VanDerWaalsContact O-CB 3.22Å; S169-A173 WeakPolarHBondContact O-CB 3.44Å; S169-A173 PolarHBondContact O-N 3.29Å
170G98Very high97.9Very high0 Ų025.2 Ų25.20%016%0.155CC..Hα-helixtrans-62.6-50.1172.600000112.2A166 Q167 L172 A173 G174 C175A166-G170 PolarHBondContact O-N 3.34Å; A166-G170 VanDerWaalsContact O-N 3.15Å; Q167-G170 PolarHBondContact O-N 3.04Å; Q167-G170 VanDerWaalsContact O-N 3.12Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 3.23Å; G170-A173 CarbonylContact O-C 3.56Å; G170-A173 WeakPolarHBondContact O-CA 3.46Å; G170-A173 WeakPolarHBondContact O-CB 3.4Å; G170-A173 PolarHBondContact O-N 3.06Å; G170-G174 PolarHBondContact O-N 3.48Å; G170-G174 VanDerWaalsContact O-N 3.11Å; G170-C175 VanDerWaalsContact CA-SG 3.6Å; G170-C175 PolarHBondContact O-N 3.28Å; G170-C175 VanDerWaalsContact O-N 3.14Å; G170-C175 PolarHBondContact O-SG 3.34Å
171I97.8Very high97.9Very high22 Ų2229.3 Ų29.311%0.11317%0.173CC..Hα-helixtrans-55.3-48.6178.5-69.1161.3000110.8K117 V118 V121 Q167 C168 A173 G174 E180K117-I171 HydrophobicContact CB-CG2 3.97Å; K117-I171 HydrophobicContact CD-CD1 4.14Å; K117-I171 HydrophobicContact CD-CG1 4.14Å; K117-I171 HydrophobicContact CD-CG2 3.89Å; K117-I171 HydrophobicContact CG-CD1 4.03Å; K117-I171 HydrophobicContact CG-CG1 4.5Å; K117-I171 HydrophobicContact CG-CG2 4.02Å; V118-I171 HydrophobicContact CG2-CB 4.18Å; V118-I171 HydrophobicContact CG2-CG2 3.79Å; V121-I171 HydrophobicContact CG2-CD1 3.93Å; Q167-I171 HydrophobicContact CG-CD1 3.82Å; Q167-I171 HydrophobicContact CG-CG1 4.46Å; Q167-I171 WeakPolarHBondContact O-CG1 3.34Å; Q167-I171 PolarHBondContact O-N 3.01Å; C168-I171 PolarHBondContact O-N 2.9Å; I171-A173 VanDerWaalsContact C-N 3.26Å; I171-A173 PolarHBondContact O-N 3.46Å; I171-G174 PolarHBondContact O-N 3.31Å; I171-G174 VanDerWaalsContact O-N 3.16Å; I171-E180 HydrophobicContact CG1-CG 4Å
172L96.2Very high98Very high34 Ų3429.3 Ų29.318%0.17818%0.175CC..Hα-helixtrans-63.4-34.9178.9179.276.2000112.2A52 I56 L113 C168 G170 G174A52-L172 HydrophobicContact CB-CD1 3.99Å; A52-L172 HydrophobicContact CB-CD2 3.49Å; A52-L172 VanDerWaalsContact CB-CD2 3.49Å; A52-L172 HydrophobicContact CB-CG 4.18Å; I56-L172 HydrophobicContact CD1-CB 3.62Å; I56-L172 HydrophobicContact CD1-CD2 3.37Å; I56-L172 HydrophobicContact CD1-CG 4.04Å; I56-L172 HydrophobicContact CG1-CD2 3.99Å; L113-L172 HydrophobicContact CD2-CD1 4.17Å; L113-L172 HydrophobicContact CD2-CD2 4.35Å; C168-L172 VanDerWaalsContact O-CB 3.29Å; C168-L172 WeakPolarHBondContact O-CB 3.19Å; C168-L172 PolarHBondContact O-N 3.47Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 3.23Å; L172-G174 PolarHBondContact O-N 2.82Å
173A96.4Very high98Very high22 Ų2229.3 Ų29.318%0.18218%0.175CC..Hα-helixtrans-74.6-10.217800000113.9V46 Y48 S169 G170 I171V46-A173 HydrophobicContact CG2-CB 3.37Å; Y48-A173 HydrophobicContact CD2-CB 3.95Å; Y48-A173 HydrophobicContact CG-CB 3.91Å; S169-A173 VanDerWaalsContact O-CB 3.22Å; S169-A173 WeakPolarHBondContact O-CB 3.44Å; S169-A173 PolarHBondContact O-N 3.29Å; G170-A173 CarbonylContact O-C 3.56Å; G170-A173 WeakPolarHBondContact O-CA 3.46Å; G170-A173 WeakPolarHBondContact O-CB 3.4Å; G170-A173 PolarHBondContact O-N 3.06Å; I171-A173 VanDerWaalsContact C-N 3.26Å; I171-A173 PolarHBondContact O-N 3.46Å
174G96Very high98Very high66 Ų6631.3 Ų31.368%0.6818%0.184SC*.THydrogen-bonded Turntrans74.932.5-177.100000113.3G170 I171 L172G170-G174 PolarHBondContact O-N 3.48Å; G170-G174 VanDerWaalsContact O-N 3.11Å; I171-G174 PolarHBondContact O-N 3.31Å; I171-G174 VanDerWaalsContact O-N 3.16Å; L172-G174 PolarHBondContact O-N 2.82Å
175C97.3Very high98Very high20 Ų2032.8 Ų32.814%0.13519%0.192CC..  trans-60.9161.6175.271.30000112.3V46 G170 E179V46-C175 HydrophobicContact CB-CB 4.13Å; V46-C175 HydrophobicContact CG1-CB 3.92Å; V46-C175 HydrophobicContact CG2-CB 4.27Å; G170-C175 VanDerWaalsContact CA-SG 3.6Å; G170-C175 PolarHBondContact O-N 3.28Å; G170-C175 VanDerWaalsContact O-N 3.14Å; G170-C175 PolarHBondContact O-SG 3.34Å; C175-E179 VanDerWaalsContact CA-OE2 3.24Å; C175-E179 WeakPolarHBondContact CA-OE2 3.5Å; C175-E179 HydrophobicContact CB-CB 3.75Å; C175-E179 VanDerWaalsContact CB-OE2 3.26Å; C175-E179 WeakPolarHBondContact CB-OE2 3.47Å
176T98Very high98Very high61 Ų6132.8 Ų32.837%0.37419%0.192SC..  trans-70.2163.4172.984.30000111.2E178 E179 E180T176-E178 WeakPolarHBondContact CB-OE2 3.31Å; T176-E178 PolarHBondContact O-N 3.36Å; T176-E178 PolarHBondContact OG1-N 2.86Å; T176-E178 PolarHBondContact OG1-OE2 3.07Å; T176-E179 PolarHBondContact N-OE2 3.07Å; T176-E179 PolarHBondContact O-N 2.93Å; T176-E179 PolarHBondContact OG1-N 2.95Å; T176-E180 WeakPolarHBondContact O-CB 3.41Å; T176-E180 PolarHBondContact O-N 3.26Å
177P98Very high98Very high96 Ų9632.8 Ų32.862%0.62319%0.192SC*.Hα-helixtrans-57-35.1174.3-26.636.3000113.9K181P177-K181 WeakPolarHBondContact O-CB 3.34Å; P177-K181 PolarHBondContact O-N 2.73Å
178E98.4Very high98Very high118 Ų11836.5 Ų36.555%0.55121%0.205SC*.Hα-helixtrans-68.3-44.6176.8-59.174.3-161.600111.3T176 K181 G182T176-E178 WeakPolarHBondContact CB-OE2 3.31Å; T176-E178 PolarHBondContact O-N 3.36Å; T176-E178 PolarHBondContact OG1-N 2.86Å; T176-E178 PolarHBondContact OG1-OE2 3.07Å; E178-K181 PolarHBondContact O-N 3.23Å; E178-G182 PolarHBondContact O-N 3.14Å
179E98.5Very high98.1Very high29 Ų2939.7 Ų39.714%0.13622%0.218CC..Hα-helixtrans-64-41.5175.4-67.3177.2145.400111.6V46 C175 T176 K181 G182 L183 L289V46-E179 HydrophobicContact CG1-CB 4.32Å; C175-E179 VanDerWaalsContact CA-OE2 3.24Å; C175-E179 WeakPolarHBondContact CA-OE2 3.5Å; C175-E179 HydrophobicContact CB-CB 3.75Å; C175-E179 VanDerWaalsContact CB-OE2 3.26Å; C175-E179 WeakPolarHBondContact CB-OE2 3.47Å; T176-E179 PolarHBondContact N-OE2 3.07Å; T176-E179 PolarHBondContact O-N 2.93Å; T176-E179 PolarHBondContact OG1-N 2.95Å; E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.46Å; E179-G182 PolarHBondContact O-N 3.25Å; E179-L183 WeakPolarHBondContact O-CB 3.35Å; E179-L183 WeakPolarHBondContact O-CG 3.38Å; E179-L183 PolarHBondContact O-N 2.88Å; E179-L289 HydrophobicContact CB-CD2 3.74Å; E179-L289 HydrophobicContact CG-CD2 3.88Å
180E98.5Very high98.1Very high25 Ų2539.7 Ų39.712%0.11722%0.218CC..Hα-helixtrans-58.6-46174.5-176.9-179.1157.600111K117 Q167 I171 T176 L183 Q184K117-E180 WeakPolarHBondContact CE-OE1 3.27Å; K117-E180 IonicContact NZ-OE1 3.85Å; K117-E180 PolarHBondContact NZ-OE1 3.1Å; K117-E180 IonicContact NZ-OE2 3.87Å; K117-E180 PolarHBondContact NZ-OE2 3.21Å; Q167-E180 HydrophobicContact CG-CG 3.87Å; Q167-E180 PolarHBondContact NE2-OE1 3.45Å; Q167-E180 VanDerWaalsContact NE2-OE1 3.11Å; I171-E180 HydrophobicContact CG1-CG 4Å; T176-E180 WeakPolarHBondContact O-CB 3.41Å; T176-E180 PolarHBondContact O-N 3.26Å; E180-L183 PolarHBondContact O-N 2.77Å; E180-Q184 WeakPolarHBondContact O-CB 3.32Å; E180-Q184 PolarHBondContact O-N 3.04Å
181K98.6Very high98.1Very high99 Ų9939.7 Ų39.743%0.4322%0.218SC..Hα-helixtrans-64.2-42.4177.8-177.451.9175.8158.90111.6P177 E178 E179 L183 Q184 D185P177-K181 WeakPolarHBondContact O-CB 3.34Å; P177-K181 PolarHBondContact O-N 2.73Å; E178-K181 PolarHBondContact O-N 3.23Å; E179-K181 VanDerWaalsContact C-N 3.32Å; E179-K181 PolarHBondContact O-N 3.46Å; K181-L183 PolarHBondContact O-N 3.02Å; K181-Q184 VanDerWaalsContact NZ-OE1 3.07Å; K181-Q184 WeakPolarHBondContact O-CB 3.43Å; K181-Q184 PolarHBondContact O-N 3.18Å; K181-D185 WeakPolarHBondContact CE-OD1 3.5Å; K181-D185 WeakPolarHBondContact CE-OD2 3.14Å; K181-D185 IonicContact NZ-OD1 3.26Å; K181-D185 PolarHBondContact NZ-OD1 3.44Å; K181-D185 IonicContact NZ-OD2 2.71Å; K181-D185 PolarHBondContact NZ-OD2 2.9Å; K181-D185 WeakPolarHBondContact O-CB 3.5Å; K181-D185 PolarHBondContact O-N 2.95Å
182G98.7Very high98.1Very high6 Ų639 Ų396%0.06222%0.215CC..Hα-helixtrans-59.8-43174.500000112.8E178 E179 Y186 A285E178-G182 PolarHBondContact O-N 3.14Å; E179-G182 PolarHBondContact O-N 3.25Å; G182-Y186 VanDerWaalsContact O-CB 3.26Å; G182-Y186 WeakPolarHBondContact O-CB 3.34Å; G182-Y186 PolarHBondContact O-N 2.93Å; G182-A285 WeakPolarHBondContact CA-O 3.48Å
183L98.7Very high98.2Very high0 Ų037.4 Ų37.40%021%0.206CC..Hα-helixtrans-67.6-40.3175.9-74.5173.3000112.6A42 V46 A166 E179 E180 K181 G187 L289A42-L183 HydrophobicContact CB-CD1 4.35Å; A42-L183 HydrophobicContact CB-CD2 3.67Å; V46-L183 HydrophobicContact CG1-CD1 4.06Å; A166-L183 HydrophobicContact CB-CB 4.25Å; A166-L183 WeakPolarHBondContact CB-O 3.28Å; E179-L183 WeakPolarHBondContact O-CB 3.35Å; E179-L183 WeakPolarHBondContact O-CG 3.38Å; E179-L183 PolarHBondContact O-N 2.88Å; E180-L183 PolarHBondContact O-N 2.77Å; K181-L183 PolarHBondContact O-N 3.02Å; L183-G187 PolarHBondContact O-N 3.08Å; L183-L289 HydrophobicContact CD2-CD1 3.71Å; L183-L289 HydrophobicContact CG-CD1 4.23Å; L183-L289 HydrophobicContact CG-CD2 4.24Å
184Q98.7Very high98.2Very high45 Ų4537.1 Ų37.121%0.2120%0.201CC..Hα-helixtrans-57.1-55.7173.1-174.5-172.333.100110.1E163 Q167 E180 K181 Y186 G187 R188E163-Q184 HydrophobicContact CG-CB 4.49Å; E163-Q184 HydrophobicContact CG-CG 3.54Å; E163-Q184 WeakPolarHBondContact CG-O 3.35Å; E163-Q184 PolarHBondContact OE1-NE2 3.48Å; Q167-Q184 HydrophobicContact CB-CB 4.32Å; Q167-Q184 HydrophobicContact CG-CB 4.21Å; E180-Q184 WeakPolarHBondContact O-CB 3.32Å; E180-Q184 PolarHBondContact O-N 3.04Å; K181-Q184 VanDerWaalsContact NZ-OE1 3.07Å; K181-Q184 WeakPolarHBondContact O-CB 3.43Å; K181-Q184 PolarHBondContact O-N 3.18Å; Q184-Y186 VanDerWaalsContact C-N 3.34Å; Q184-Y186 PolarHBondContact O-N 2.86Å; Q184-G187 PolarHBondContact O-N 3.47Å; Q184-R188 PolarHBondContact O-N 2.83Å
185D98.8Very high98.2Very high32 Ų3235.3 Ų35.317%0.17118%0.175CC..Hα-helixtrans-63.8-40.2-177.4-72.4-16.8000111.7K181 G187 R188 Y189 A285K181-D185 WeakPolarHBondContact CE-OD1 3.5Å; K181-D185 WeakPolarHBondContact CE-OD2 3.14Å; K181-D185 IonicContact NZ-OD1 3.26Å; K181-D185 PolarHBondContact NZ-OD1 3.44Å; K181-D185 IonicContact NZ-OD2 2.71Å; K181-D185 PolarHBondContact NZ-OD2 2.9Å; K181-D185 WeakPolarHBondContact O-CB 3.5Å; K181-D185 PolarHBondContact O-N 2.95Å; D185-G187 PolarHBondContact O-N 2.93Å; D185-R188 PolarHBondContact O-N 3.49Å; D185-Y189 HydrophobicContact CB-CD2 4.16Å; D185-Y189 HydrophobicContact CB-CE2 3.86Å; D185-Y189 WeakPolarHBondContact O-CB 3.19Å; D185-Y189 WeakPolarHBondContact O-CD2 3.35Å; D185-Y189 PolarHBondContact O-N 3Å; D185-A285 HydrophobicContact CB-CB 3.8Å
186Y98.8Very high98.2Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-54.2-52.9172.4168.6-97.8000111.9I38 A166 G182 Q184 R188 Y189 L190 A282 L286 L298 A302I38-Y186 HydrophobicContact CG1-CE1 4.43Å; I38-Y186 HydrophobicContact CG2-CE1 4.07Å; A166-Y186 HydrophobicContact CB-CD1 4.26Å; G182-Y186 VanDerWaalsContact O-CB 3.26Å; G182-Y186 WeakPolarHBondContact O-CB 3.34Å; G182-Y186 PolarHBondContact O-N 2.93Å; Q184-Y186 VanDerWaalsContact C-N 3.34Å; Q184-Y186 PolarHBondContact O-N 2.86Å; Y186-R188 PolarHBondContact O-N 3.01Å; Y186-Y189 PolarHBondContact O-N 3Å; Y186-L190 HydrophobicContact CE1-CD2 3.8Å; Y186-L190 HydrophobicContact CE2-CD2 4.22Å; Y186-L190 WeakPolarHBondContact O-CB 3.44Å; Y186-L190 PolarHBondContact O-N 3.45Å; Y186-L190 WeakPolarHBondContact OH-CD2 3.46Å; Y186-A282 HydrophobicContact CD2-CB 3.88Å; Y186-A282 WeakPolarHBondContact CD2-O 3.39Å; Y186-A282 HydrophobicContact CE2-CB 4.34Å; Y186-L286 HydrophobicContact CD1-CD2 4.34Å; Y186-L286 HydrophobicContact CD2-CD1 3.62Å; Y186-L286 HydrophobicContact CD2-CD2 3.63Å; Y186-L286 HydrophobicContact CD2-CG 3.57Å; Y186-L286 HydrophobicContact CE2-CD1 3.65Å; Y186-L286 HydrophobicContact CE2-CD2 4.24Å; Y186-L286 HydrophobicContact CE2-CG 4.14Å; Y186-L286 HydrophobicContact CG-CD1 4.49Å; Y186-L286 HydrophobicContact CG-CD2 3.67Å; Y186-L286 HydrophobicContact CG-CG 4.11Å; Y186-L298 HydrophobicContact CE1-CB 4.47Å; Y186-L298 HydrophobicContact CE1-CD2 3.66Å; Y186-L298 HydrophobicContact CE2-CB 4.1Å; Y186-L298 WeakPolarHBondContact OH-CA 3.42Å; Y186-L298 WeakPolarHBondContact OH-CD2 3.47Å; Y186-L298 PolarHBondContact OH-O 3.42Å; Y186-A302 HydrophobicContact CE2-CB 4.47Å
187G98.6Very high98.1Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-64.6-40.4-177.700000112.4F162 L183 Q184 D185 G191F162-G187 WeakPolarHBondContact CB-O 3.46Å; L183-G187 PolarHBondContact O-N 3.08Å; Q184-G187 PolarHBondContact O-N 3.47Å; D185-G187 PolarHBondContact O-N 2.93Å; G187-G191 PolarHBondContact O-N 2.73Å
188R98.7Very high97.8Very high92 Ų9229.5 Ų29.535%0.34714%0.135SC..Hα-helixtrans-59-53.8175.6168.9178.7-99.5-120.9-2.7111.8Y155 A159 E163 Q184 D185 Y186 G191 T192Y155-R188 HydrophobicContact CD2-CG 4.19Å; Y155-R188 HydrophobicContact CE2-CG 3.89Å; Y155-R188 VanDerWaalsContact CE2-NH2 3.34Å; Y155-R188 PolarHBondContact OH-NH2 2.83Å; Y155-R188 VanDerWaalsContact OH-NH2 3.14Å; A159-R188 WeakPolarHBondContact CB-O 3.21Å; E163-R188 HydrophobicContact CB-CB 4.21Å; E163-R188 HydrophobicContact CG-CB 4.15Å; E163-R188 IonicContact OE2-NE 2.65Å; E163-R188 PolarHBondContact OE2-NE 3.32Å; Q184-R188 PolarHBondContact O-N 2.83Å; D185-R188 PolarHBondContact O-N 3.49Å; Y186-R188 PolarHBondContact O-N 3.01Å; R188-G191 PolarHBondContact O-N 3.42Å; R188-T192 WeakPolarHBondContact O-CB 3Å; R188-T192 PolarHBondContact O-N 3.32Å; R188-T192 PolarHBondContact O-OG1 3.25Å
189Y98.7Very high97.7Very high66 Ų6624.3 Ų24.326%0.25911%0.111SC..Hα-helixtrans-70.8-40.2-175.4-64.6-46.7000111.6D185 Y186 G191 T192 A193 E278 K281D185-Y189 HydrophobicContact CB-CD2 4.16Å; D185-Y189 HydrophobicContact CB-CE2 3.86Å; D185-Y189 WeakPolarHBondContact O-CB 3.19Å; D185-Y189 WeakPolarHBondContact O-CD2 3.35Å; D185-Y189 PolarHBondContact O-N 3Å; Y186-Y189 PolarHBondContact O-N 3Å; Y189-G191 PolarHBondContact O-N 2.97Å; Y189-T192 PolarHBondContact O-N 2.63Å; Y189-A193 WeakPolarHBondContact O-CB 3.08Å; Y189-A193 PolarHBondContact O-N 2.86Å; Y189-E278 WeakPolarHBondContact CB-O 3.45Å; Y189-E278 WeakPolarHBondContact CD1-OE2 3.39Å; Y189-K281 HydrophobicContact CD1-CB 4.13Å; Y189-K281 HydrophobicContact CD1-CD 4.12Å; Y189-K281 HydrophobicContact CD2-CB 3.58Å; Y189-K281 HydrophobicContact CE1-CB 4.39Å; Y189-K281 HydrophobicContact CE1-CD 3.96Å; Y189-K281 HydrophobicContact CE2-CB 3.9Å; Y189-K281 HydrophobicContact CG-CB 3.71Å
190L98.3Very high97.5Very high1 Ų123 Ų231%0.00511%0.105CC..Hα-helixtrans-60.6-45.1174.3178.158.6000112.1I38 F162 Y186 T192 A193 F194 A282 L301 A302 A305I38-L190 HydrophobicContact CD1-CD2 3.57Å; I38-L190 HydrophobicContact CG1-CD2 4.12Å; F162-L190 HydrophobicContact CD1-CD2 4.3Å; F162-L190 HydrophobicContact CD1-CG 4.16Å; F162-L190 HydrophobicContact CE1-CG 4.36Å; Y186-L190 HydrophobicContact CE1-CD2 3.8Å; Y186-L190 HydrophobicContact CE2-CD2 4.22Å; Y186-L190 WeakPolarHBondContact O-CB 3.44Å; Y186-L190 PolarHBondContact O-N 3.45Å; Y186-L190 WeakPolarHBondContact OH-CD2 3.46Å; L190-T192 VanDerWaalsContact C-N 3.28Å; L190-T192 PolarHBondContact O-N 2.64Å; L190-A193 PolarHBondContact O-N 3.44Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 PolarHBondContact O-N 3.49Å; L190-A282 HydrophobicContact CB-CB 4.22Å; L190-L301 HydrophobicContact CD2-CD2 4.26Å; L190-L301 HydrophobicContact CD2-CG 4.39Å; L190-A302 HydrophobicContact CD1-CB 4.11Å; L190-A305 HydrophobicContact CD1-CB 3.53Å
191G98Very high97.1Very high0 Ų023 Ų230%011%0.105CC..Hα-helixtrans-65.6-33.1178.500000112.8G187 R188 Y189 F194 Q195G187-G191 PolarHBondContact O-N 2.73Å; R188-G191 PolarHBondContact O-N 3.42Å; Y189-G191 PolarHBondContact O-N 2.97Å; G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 2.9Å; G191-Q195 PolarHBondContact O-N 3.48Å; G191-Q195 VanDerWaalsContact O-N 3.08Å
192T98.4Very high96.7Very high7 Ų719.4 Ų19.44%0.0439%0.091CC..Hα-helixtrans-67.8-51.2174.3-54.60000110.6M151 I154 R188 Y189 L190 F194 Q195 L196 E278M151-T192 HydrophobicContact CE-CG2 3.52Å; I154-T192 HydrophobicContact CD1-CG2 3.9Å; R188-T192 WeakPolarHBondContact O-CB 3Å; R188-T192 PolarHBondContact O-N 3.32Å; R188-T192 PolarHBondContact O-OG1 3.25Å; Y189-T192 PolarHBondContact O-N 2.63Å; L190-T192 VanDerWaalsContact C-N 3.28Å; L190-T192 PolarHBondContact O-N 2.64Å; T192-F194 PolarHBondContact O-N 2.83Å; T192-Q195 PolarHBondContact O-N 3.4Å; T192-Q195 VanDerWaalsContact O-N 3.14Å; T192-L196 HydrophobicContact CG2-CD1 4.22Å; T192-L196 WeakPolarHBondContact O-CG 3.48Å; T192-L196 PolarHBondContact O-N 3.07Å; T192-E278 HydrophobicContact CG2-CG 3.94Å
193A98Very high96.4Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-54.7-40.2173.700000112Y189 L190 I197 A275 E278 A279 V306Y189-A193 WeakPolarHBondContact O-CB 3.08Å; Y189-A193 PolarHBondContact O-N 2.86Å; L190-A193 PolarHBondContact O-N 3.44Å; A193-I197 VanDerWaalsContact O-CG1 3.31Å; A193-I197 WeakPolarHBondContact O-CG1 3Å; A193-I197 PolarHBondContact O-N 3.17Å; A193-A275 HydrophobicContact CB-CB 4.49Å; A193-A275 VanDerWaalsContact CB-O 3.28Å; A193-A275 WeakPolarHBondContact CB-O 3.32Å; A193-E278 HydrophobicContact CB-CB 3.84Å; A193-A279 HydrophobicContact CB-CB 4.26Å; A193-V306 HydrophobicContact CB-CG1 4.09Å
194F95.9Very high95.5Very high17 Ų1721 Ų218%0.07510%0.098CC..Hα-helixtrans-62.1-47177.7-170.7-86.4000111.9I34 T158 F162 L190 G191 T192 I197 D198 A305 R308I34-F194 HydrophobicContact CD1-CD2 4.29Å; I34-F194 HydrophobicContact CD1-CE2 3.39Å; I34-F194 HydrophobicContact CD1-CZ 4.06Å; T158-F194 HydrophobicContact CG2-CD1 4.38Å; F162-F194 HydrophobicContact CE1-CB 4.48Å; F162-F194 HydrophobicContact CE1-CD2 4.48Å; F162-F194 HydrophobicContact CE1-CG 4.4Å; F162-F194 HydrophobicContact CE2-CD1 4.32Å; F162-F194 HydrophobicContact CE2-CG 4.47Å; F162-F194 HydrophobicContact CZ-CB 4.16Å; F162-F194 AromaticContact CZ-CD1 3.98Å; F162-F194 HydrophobicContact CZ-CD1 3.98Å; F162-F194 HydrophobicContact CZ-CD2 4.08Å; F162-F194 HydrophobicContact CZ-CE1 4.41Å; F162-F194 AromaticContact CZ-CG 3.79Å; F162-F194 HydrophobicContact CZ-CG 3.79Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 PolarHBondContact O-N 3.49Å; G191-F194 WeakPolarHBondContact O-CB 3.38Å; G191-F194 PolarHBondContact O-N 2.9Å; T192-F194 PolarHBondContact O-N 2.83Å; F194-I197 PolarHBondContact O-N 2.94Å; F194-D198 WeakPolarHBondContact CE1-OD2 3.2Å; F194-D198 PolarHBondContact O-N 3.02Å; F194-A305 HydrophobicContact CD2-CB 4.37Å; F194-R308 VanDerWaalsContact CD2-CZ 3.44Å; F194-R308 VanDerWaalsContact CD2-NH2 3.34Å; F194-R308 PolarHBondContact O-NH2 3.1Å
195Q96.5Very high93.7Very high28 Ų2822 Ų2213%0.13111%0.114CC..Hα-helixtrans-69-39.9-179.9-167.459.449.500112.2I154 T158 G191 T192 I197 D198 D199I154-Q195 HydrophobicContact CB-CB 4Å; I154-Q195 HydrophobicContact CB-CG 3.64Å; I154-Q195 HydrophobicContact CD1-CB 4.46Å; I154-Q195 HydrophobicContact CG2-CB 4.35Å; I154-Q195 HydrophobicContact CG2-CG 3.52Å; T158-Q195 VanDerWaalsContact CB-OE1 3.31Å; T158-Q195 HydrophobicContact CG2-CB 4Å; T158-Q195 PolarHBondContact OG1-OE1 3.44Å; G191-Q195 PolarHBondContact O-N 3.48Å; G191-Q195 VanDerWaalsContact O-N 3.08Å; T192-Q195 PolarHBondContact O-N 3.4Å; T192-Q195 VanDerWaalsContact O-N 3.14Å; Q195-I197 PolarHBondContact O-N 3.41Å; Q195-D198 PolarHBondContact O-N 3.13Å; Q195-D199 PolarHBondContact NE2-OD1 2.62Å; Q195-D199 PolarHBondContact O-N 2.99Å
196L97.3Very high92Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-56.7-39.4176.3-69.9171.9000112.2Y150 M151 I154 T192 L200 L225 R274 A275 E278Y150-L196 HydrophobicContact CE1-CD2 3.85Å; M151-L196 HydrophobicContact SD-CD2 4.48Å; I154-L196 HydrophobicContact CD1-CD2 3.86Å; I154-L196 HydrophobicContact CD1-CG 4Å; T192-L196 HydrophobicContact CG2-CD1 4.22Å; T192-L196 WeakPolarHBondContact O-CG 3.48Å; T192-L196 PolarHBondContact O-N 3.07Å; L196-L200 WeakPolarHBondContact O-CB 3.22Å; L196-L200 PolarHBondContact O-N 2.94Å; L196-L225 HydrophobicContact CD2-CB 4.4Å; L196-L225 HydrophobicContact CD2-CD2 3.46Å; L196-L225 VanDerWaalsContact CD2-CD2 3.46Å; L196-R274 HydrophobicContact CD1-CB 4.35Å; L196-R274 HydrophobicContact CD1-CG 4.26Å; L196-A275 HydrophobicContact CB-CB 3.77Å; L196-A275 HydrophobicContact CD1-CB 4.18Å; L196-E278 HydrophobicContact CD1-CG 4.11Å
197I95.3Very high89.9Confident0 Ų025.9 Ų25.90%014%0.136CC..Hα-helixtrans-75.3-34.6176.8-66-76.6000111.7A193 F194 Q195 L200 L201 A275 V306 R308A193-I197 VanDerWaalsContact O-CG1 3.31Å; A193-I197 WeakPolarHBondContact O-CG1 3Å; A193-I197 PolarHBondContact O-N 3.17Å; F194-I197 PolarHBondContact O-N 2.94Å; Q195-I197 PolarHBondContact O-N 3.41Å; I197-L200 PolarHBondContact O-N 2.8Å; I197-L201 HydrophobicContact CG2-CD1 3.92Å; I197-L201 HydrophobicContact CG2-CG 4.24Å; I197-L201 WeakPolarHBondContact O-CB 3.43Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.33Å; I197-A275 HydrophobicContact CD1-CB 3.74Å; I197-A275 HydrophobicContact CG1-CB 3.55Å; I197-V306 HydrophobicContact CD1-CB 4.38Å; I197-V306 HydrophobicContact CG1-CB 4.46Å; I197-V306 HydrophobicContact CG1-CG1 4.28Å; I197-R308 HydrophobicContact CG2-CB 4.1Å
198D93.1Very high87.6Confident54 Ų5434.3 Ų34.329%0.28918%0.176SC..Hα-helixtrans-61.8-47.2174-80.29.9000110.4F194 Q195 L200 L201 D202 R308F194-D198 WeakPolarHBondContact CE1-OD2 3.2Å; F194-D198 PolarHBondContact O-N 3.02Å; Q195-D198 PolarHBondContact O-N 3.13Å; D198-L200 PolarHBondContact O-N 2.95Å; D198-L201 PolarHBondContact O-N 3.38Å; D198-D202 PolarHBondContact O-N 3.22Å; D198-R308 IonicContact OD1-CZ 3.06Å; D198-R308 IonicContact OD1-NH1 2.64Å; D198-R308 PolarHBondContact OD1-NH1 3.02Å; D198-R308 IonicContact OD1-NH2 3.88Å; D198-R308 PolarHBondContact OD1-NH2 2.74Å
199D94.8Very high85.1Confident9 Ų938.3 Ų38.35%0.04820%0.198CC..Hα-helixtrans-64-38.5176.7-66.912.2000111.6Y150 Q195 D202 Y203 T224Y150-D199 VanDerWaalsContact CE2-OD2 3.25Å; Y150-D199 WeakPolarHBondContact CE2-OD2 3.34Å; Y150-D199 VanDerWaalsContact CZ-OD2 3.3Å; Y150-D199 PolarHBondContact OH-OD2 2.67Å; Q195-D199 PolarHBondContact NE2-OD1 2.62Å; Q195-D199 PolarHBondContact O-N 2.99Å; D199-D202 WeakPolarHBondContact O-CB 3.15Å; D199-D202 PolarHBondContact O-N 3.21Å; D199-Y203 VanDerWaalsContact O-CD2 3.27Å; D199-Y203 WeakPolarHBondContact O-CD2 3.4Å; D199-T224 HydrophobicContact CB-CG2 4.23Å
200L94.3Very high82.6Confident3 Ų339.2 Ų39.22%0.01621%0.207CC..Hα-helixtrans-61.9-44.9173.6-179.5161.2000111.5L196 I197 D198 D202 Y203 N204 L268 T271 R272L196-L200 WeakPolarHBondContact O-CB 3.22Å; L196-L200 PolarHBondContact O-N 2.94Å; I197-L200 PolarHBondContact O-N 2.8Å; D198-L200 PolarHBondContact O-N 2.95Å; L200-D202 PolarHBondContact O-N 3.31Å; L200-Y203 PolarHBondContact O-N 3.5Å; L200-N204 PolarHBondContact O-N 3.27Å; L200-L268 WeakPolarHBondContact CD1-O 3.45Å; L200-L268 HydrophobicContact CG-CB 4.49Å; L200-L268 HydrophobicContact CG-CD2 4.23Å; L200-T271 HydrophobicContact CB-CG2 4.13Å; L200-T271 HydrophobicContact CD1-CG2 4.36Å; L200-R272 HydrophobicContact CD1-CB 3.73Å
201L90.8Very high80.2Confident23 Ų2342.4 Ų42.412%0.1224%0.241CC..Hα-helixtrans-67.1-21-177.3-74.8173.3000112.8I197 D198 Y203 N204 R308I197-L201 HydrophobicContact CG2-CD1 3.92Å; I197-L201 HydrophobicContact CG2-CG 4.24Å; I197-L201 WeakPolarHBondContact O-CB 3.43Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.33Å; D198-L201 PolarHBondContact O-N 3.38Å; L201-Y203 PolarHBondContact O-N 3.19Å; L201-N204 HydrophobicContact CD2-CB 4.31Å; L201-N204 PolarHBondContact O-N 3.39Å; L201-R308 HydrophobicContact CD1-CB 4.26Å
202D90.9Very high78.3Confident25 Ų2548 Ų4813%0.13427%0.265CS..Hα-helixtrans-60.4-27.8170.6-167.259000112D198 D199 L200 V214 G215 D216 D217D198-D202 PolarHBondContact O-N 3.22Å; D199-D202 WeakPolarHBondContact O-CB 3.15Å; D199-D202 PolarHBondContact O-N 3.21Å; L200-D202 PolarHBondContact O-N 3.31Å; D202-V214 CarbonylContact O-C 3.53Å; D202-V214 WeakPolarHBondContact O-CA 3.01Å; D202-V214 VanDerWaalsContact O-CG1 3.22Å; D202-V214 WeakPolarHBondContact O-CG1 3.41Å; D202-G215 PolarHBondContact O-N 3.37Å; D202-G215 VanDerWaalsContact OD2-C 3.3Å; D202-G215 WeakPolarHBondContact OD2-CA 3.31Å; D202-G215 PolarHBondContact OD2-N 3.42Å; D202-D216 PolarHBondContact OD1-N 2.95Å; D202-D216 VanDerWaalsContact OD1-N 3.13Å; D202-D216 PolarHBondContact OD2-N 2.9Å; D202-D217 WeakPolarHBondContact OD2-CB 3.47Å; D202-D217 PolarHBondContact OD2-N 3.27Å
203Y91.5Very high76.9Confident1 Ų152.8 Ų52.80%0.00429%0.29CS..THydrogen-bonded Turntrans-105.25.3-179.6-62.4-82.6000114D199 L200 L201 A205 D217 L218 P226 L227 L255 L259 M262D199-Y203 VanDerWaalsContact O-CD2 3.27Å; D199-Y203 WeakPolarHBondContact O-CD2 3.4Å; L200-Y203 PolarHBondContact O-N 3.5Å; L201-Y203 PolarHBondContact O-N 3.19Å; Y203-A205 PolarHBondContact O-N 3.13Å; Y203-D217 HydrophobicContact CE2-CB 4.44Å; Y203-L218 HydrophobicContact CE1-CB 3.92Å; Y203-L218 PolarHBondContact OH-N 3.3Å; Y203-P226 HydrophobicContact CD2-CB 4.36Å; Y203-P226 HydrophobicContact CD2-CG 4.35Å; Y203-L227 HydrophobicContact CE1-CD2 4.17Å; Y203-L227 HydrophobicContact CE1-CG 4.37Å; Y203-L227 WeakPolarHBondContact OH-CD1 3.46Å; Y203-L227 WeakPolarHBondContact OH-CG 3.3Å; Y203-L255 HydrophobicContact CD1-CD1 4.48Å; Y203-L259 HydrophobicContact CD1-CD2 4.14Å; Y203-L259 HydrophobicContact CG-CD2 4.48Å; Y203-L259 WeakPolarHBondContact O-CD2 3.43Å; Y203-M262 HydrophobicContact CD1-CE 3.5Å; Y203-M262 HydrophobicContact CD1-SD 3.83Å; Y203-M262 HydrophobicContact CD2-CE 4.08Å; Y203-M262 HydrophobicContact CD2-SD 4.48Å; Y203-M262 HydrophobicContact CE1-CE 3.56Å; Y203-M262 HydrophobicContact CE1-SD 4.48Å; Y203-M262 HydrophobicContact CE2-CE 4.17Å; Y203-M262 HydrophobicContact CG-CE 3.78Å; Y203-M262 HydrophobicContact CG-SD 3.83Å
204N80.1Confident76.2Confident39 Ų3953.7 Ų53.721%0.20930%0.295CS..  trans-78.5113.9179.2-167.3-0000110.2L200 L201 D206 G207L200-N204 PolarHBondContact O-N 3.27Å; L201-N204 HydrophobicContact CD2-CB 4.31Å; L201-N204 PolarHBondContact O-N 3.39Å; N204-D206 PolarHBondContact O-N 3.16Å; N204-D206 VanDerWaalsContact O-N 3.09Å; N204-G207 PolarHBondContact O-N 3.47Å
205A60.9Low75.8Confident66 Ų6652.9 Ų52.955%0.54529%0.292SS..G310 helixtrans-60-21.5-174.800000114.2Y203 G207Y203-A205 PolarHBondContact O-N 3.13Å; A205-G207 PolarHBondContact O-N 3.37Å; A205-G207 VanDerWaalsContact O-N 3.12Å
206D63.9Low75.5Confident106 Ų10653.8 Ų53.857%0.56730%0.298SS*.G310 helixtrans-67.1-7.5172-70.9-25.7000113.1N204 E208 Q209N204-D206 PolarHBondContact O-N 3.16Å; N204-D206 VanDerWaalsContact O-N 3.09Å; D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.42Å; D206-Q209 WeakPolarHBondContact O-CB 3.46Å; D206-Q209 PolarHBondContact O-N 2.89Å
207G53.5Low75.2Confident7 Ų755 Ų557%0.07230%0.304CS..G310 helixtrans-61.4-24.1-178.500000115.4N204 A205 Q209 L210 G211N204-G207 PolarHBondContact O-N 3.47Å; A205-G207 PolarHBondContact O-N 3.37Å; A205-G207 VanDerWaalsContact O-N 3.12Å; G207-Q209 PolarHBondContact O-N 2.89Å; G207-L210 WeakPolarHBondContact O-CA 3.4Å; G207-L210 PolarHBondContact O-N 3.18Å; G207-G211 PolarHBondContact O-N 3.35Å
208E50.6Low75.1Confident177 Ų17755 Ų5583%0.82730%0.304SS*.G310 helixtrans-59.1-33.4171.2-78.5-16316100111.8D206 L210D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.42Å; E208-L210 PolarHBondContact O-N 3.4Å
209Q47.2Very low75.1Confident176 Ų17654.9 Ų54.982%0.82230%0.304SS*.G310 helixtrans-72.8-13.9175.9-63.9-171.711.700113.1D206 G207D206-Q209 WeakPolarHBondContact O-CB 3.46Å; D206-Q209 PolarHBondContact O-N 2.89Å; G207-Q209 PolarHBondContact O-N 2.89Å
210L45.9Very low74.9Confident84 Ų8457.3 Ų57.344%0.4432%0.315SS..G310 helixtrans-106.10-173-66.2169.8000113.6G207 E208 K212 R310G207-L210 WeakPolarHBondContact O-CA 3.4Å; G207-L210 PolarHBondContact O-N 3.18Å; E208-L210 PolarHBondContact O-N 3.4Å; L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 2.68Å; L210-R310 HydrophobicContact CD1-CB 3.95Å; L210-R310 HydrophobicContact CD2-CB 4.15Å
211G48.3Very low74.9Confident69 Ų6957.1 Ų57.171%0.71131%0.314SS*.THydrogen-bonded Turntrans66.126.4178.200000113.9G207G207-G211 PolarHBondContact O-N 3.35Å
212K57.2Low75.1Confident118 Ų11857 Ų5751%0.51331%0.312SS..  trans-107.2146.9169.1-68.1-176.2-171.1168.80109L210 V214 R310L210-K212 VanDerWaalsContact C-N 3.26Å; L210-K212 PolarHBondContact O-N 2.68Å; K212-V214 PolarHBondContact O-N 3.05Å; K212-R310 PolarHBondContact NZ-OXT 2.66Å
213N69.3Low75.3Confident107 Ų10756.2 Ų56.257%0.57231%0.308SS*.  trans-8097.9177-67.6-27.4000108.8G215 D216 R252N213-G215 PolarHBondContact O-N 3.45Å; N213-D216 WeakPolarHBondContact CB-OD1 3.46Å; N213-D216 PolarHBondContact O-N 2.9Å; N213-R252 PolarHBondContact O-NH1 3.27Å
214V83Confident75.5Confident18 Ų1856.5 Ų56.511%0.10931%0.311CS..THydrogen-bonded Turntrans-58.9123.7179.3-179.40000110.6D202 K212 R252 L255D202-V214 CarbonylContact O-C 3.53Å; D202-V214 WeakPolarHBondContact O-CA 3.01Å; D202-V214 VanDerWaalsContact O-CG1 3.22Å; D202-V214 WeakPolarHBondContact O-CG1 3.41Å; K212-V214 PolarHBondContact O-N 3.05Å; V214-R252 PolarHBondContact O-NH1 3.1Å; V214-L255 HydrophobicContact CB-CD2 4.28Å; V214-L255 HydrophobicContact CG1-CD1 4.4Å; V214-L255 HydrophobicContact CG1-CD2 4.14Å; V214-L255 WeakPolarHBondContact O-CD2 3.37Å
215G88.3Confident76.3Confident0 Ų054.8 Ų54.80%030%0.301CS..THydrogen-bonded Turntrans89.834.2179.300000114D202 N213 D217 N219 R252D202-G215 PolarHBondContact O-N 3.37Å; D202-G215 VanDerWaalsContact OD2-C 3.3Å; D202-G215 WeakPolarHBondContact OD2-CA 3.31Å; D202-G215 PolarHBondContact OD2-N 3.42Å; N213-G215 PolarHBondContact O-N 3.45Å; G215-D217 VanDerWaalsContact C-N 3.32Å; G215-N219 WeakPolarHBondContact O-CB 3.48Å; G215-N219 PolarHBondContact O-N 3.1Å; G215-R252 PolarHBondContact O-NH1 2.91Å
216D88.5Confident78.1Confident48 Ų4851.6 Ų51.626%0.25728%0.275SS..Hα-helixtrans-62.5-42.9172.5-75.5-19.8000110D202 N213 L218 N219 E220 R252D202-D216 PolarHBondContact OD1-N 2.95Å; D202-D216 VanDerWaalsContact OD1-N 3.13Å; D202-D216 PolarHBondContact OD2-N 2.9Å; N213-D216 WeakPolarHBondContact CB-OD1 3.46Å; N213-D216 PolarHBondContact O-N 2.9Å; D216-L218 VanDerWaalsContact C-N 3.34Å; D216-L218 PolarHBondContact O-N 3.35Å; D216-N219 CarbonylContact O-C 3.59Å; D216-N219 PolarHBondContact O-N 2.9Å; D216-N219 VanDerWaalsContact O-N 3.07Å; D216-E220 WeakPolarHBondContact O-CB 3.35Å; D216-E220 VanDerWaalsContact O-CG 3.3Å; D216-E220 WeakPolarHBondContact O-CG 3.1Å; D216-E220 PolarHBondContact O-N 2.86Å; D216-R252 IonicContact OD1-CZ 2.69Å; D216-R252 IonicContact OD1-NH1 3.2Å; D216-R252 PolarHBondContact OD1-NH1 2.57Å; D216-R252 IonicContact OD1-NH2 3.4Å; D216-R252 PolarHBondContact OD1-NH2 3.15Å
217D92.1Very high79.6Confident24 Ų2446.6 Ų46.613%0.12825%0.248CC..Hα-helixtrans-61.8-42.8179.2-70.8-33.6000111.5D202 Y203 G215 N219 E220 G221 K222 T224D202-D217 WeakPolarHBondContact OD2-CB 3.47Å; D202-D217 PolarHBondContact OD2-N 3.27Å; Y203-D217 HydrophobicContact CE2-CB 4.44Å; G215-D217 VanDerWaalsContact C-N 3.32Å; D217-N219 VanDerWaalsContact C-N 3.31Å; D217-N219 PolarHBondContact O-N 3.43Å; D217-E220 PolarHBondContact O-N 2.96Å; D217-G221 PolarHBondContact O-N 3.21Å; D217-G221 VanDerWaalsContact O-N 3.11Å; D217-K222 HydrophobicContact CB-CB 4.01Å; D217-K222 PolarHBondContact O-N 3.45Å; D217-K222 WeakPolarHBondContact OD1-CD 3.36Å; D217-T224 HydrophobicContact CB-CG2 3.95Å; D217-T224 WeakPolarHBondContact OD2-CG2 3.28Å
218L93.7Very high81.7Confident0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-63.3-39.6175.6-179.865.7000111.8Y203 D216 E220 G221 L227 A245 G251 L255 V258Y203-L218 HydrophobicContact CE1-CB 3.92Å; Y203-L218 PolarHBondContact OH-N 3.3Å; D216-L218 VanDerWaalsContact C-N 3.34Å; D216-L218 PolarHBondContact O-N 3.35Å; L218-E220 VanDerWaalsContact C-N 3.33Å; L218-G221 PolarHBondContact O-N 2.9Å; L218-L227 HydrophobicContact CD1-CD1 4.24Å; L218-L227 HydrophobicContact CD1-CD2 3.9Å; L218-A245 HydrophobicContact CD1-CB 3.62Å; L218-A245 HydrophobicContact CG-CB 4.48Å; L218-G251 WeakPolarHBondContact CD2-O 3.4Å; L218-L255 HydrophobicContact CD2-CB 4.46Å; L218-L255 HydrophobicContact CD2-CD1 4.15Å; L218-V258 HydrophobicContact CD1-CG2 4.37Å; L218-V258 HydrophobicContact CD2-CB 4.12Å; L218-V258 HydrophobicContact CD2-CG1 4.16Å; L218-V258 HydrophobicContact CD2-CG2 4.04Å
219N91.9Very high83.9Confident53 Ų5338.8 Ų38.828%0.28321%0.21SC..Hα-helixtrans-73.5-27.2179.9-171.971.9000112.5G215 D216 D217 G221 G249 N250 R252G215-N219 WeakPolarHBondContact O-CB 3.48Å; G215-N219 PolarHBondContact O-N 3.1Å; D216-N219 CarbonylContact O-C 3.59Å; D216-N219 PolarHBondContact O-N 2.9Å; D216-N219 VanDerWaalsContact O-N 3.07Å; D217-N219 VanDerWaalsContact C-N 3.31Å; D217-N219 PolarHBondContact O-N 3.43Å; N219-G221 VanDerWaalsContact C-N 3.34Å; N219-G249 CarbonylContact O-C 3.57Å; N219-N250 PolarHBondContact O-N 2.9Å; N219-R252 HydrophobicContact CB-CB 4.29Å; N219-R252 WeakPolarHBondContact OD1-CB 3.43Å
220E90.6Very high86.3Confident59 Ų5930.4 Ų30.428%0.27617%0.171SC..THydrogen-bonded Turntrans-89.5-1.5177.4-68.8169.9-171.300112.8V140 D216 D217 L218 K222V140-E220 WeakPolarHBondContact CG1-O 3.5Å; D216-E220 WeakPolarHBondContact O-CB 3.35Å; D216-E220 VanDerWaalsContact O-CG 3.3Å; D216-E220 WeakPolarHBondContact O-CG 3.1Å; D216-E220 PolarHBondContact O-N 2.86Å; D217-E220 PolarHBondContact O-N 2.96Å; L218-E220 VanDerWaalsContact C-N 3.33Å; E220-K222 VanDerWaalsContact C-N 3.31Å; E220-K222 HydrophobicContact CB-CD 4.19Å; E220-K222 HydrophobicContact CB-CG 4.16Å; E220-K222 WeakPolarHBondContact OE2-CD 3.29Å; E220-K222 WeakPolarHBondContact OE2-CE 3.44Å; E220-K222 IonicContact OE2-NZ 2.93Å; E220-K222 PolarHBondContact OE2-NZ 2.94Å
221G93.8Very high88.7Confident0 Ų027.1 Ų27.10%015%0.154CC..THydrogen-bonded Turntrans70.627.1-178.700000113N141 D217 L218 N219 P223 I246N141-G221 PolarHBondContact N-O 2.96Å; D217-G221 PolarHBondContact O-N 3.21Å; D217-G221 VanDerWaalsContact O-N 3.11Å; L218-G221 PolarHBondContact O-N 2.9Å; N219-G221 VanDerWaalsContact C-N 3.34Å; G221-P223 VanDerWaalsContact O-CD 3.24Å; G221-P223 WeakPolarHBondContact O-CD 3.15Å; G221-I246 WeakPolarHBondContact CA-O 3.35Å
222K94.8Very high91Very high19 Ų1929.9 Ų29.98%0.08315%0.147CC..  trans-83.8111.8177.8-71.6173.8173.7167.20109.8D75 V140 D217 E220 T224 L227D75-K222 IonicContact OD2-NZ 3.48Å; D75-K222 PolarHBondContact OD2-NZ 3.33Å; D75-K222 VanDerWaalsContact OD2-NZ 3.14Å; V140-K222 HydrophobicContact CG2-CG 4.1Å; D217-K222 HydrophobicContact CB-CB 4.01Å; D217-K222 PolarHBondContact O-N 3.45Å; D217-K222 WeakPolarHBondContact OD1-CD 3.36Å; E220-K222 VanDerWaalsContact C-N 3.31Å; E220-K222 HydrophobicContact CB-CD 4.19Å; E220-K222 HydrophobicContact CB-CG 4.16Å; E220-K222 WeakPolarHBondContact OE2-CD 3.29Å; E220-K222 WeakPolarHBondContact OE2-CE 3.44Å; E220-K222 IonicContact OE2-NZ 2.93Å; E220-K222 PolarHBondContact OE2-NZ 2.94Å; K222-T224 VanDerWaalsContact C-N 3.34Å; K222-T224 HydrophobicContact CB-CG2 4.45Å; K222-T224 PolarHBondContact O-N 3.11Å; K222-L227 WeakPolarHBondContact O-CD1 3.46Å
223P95.2Very high92.9Very high9 Ų930 Ų306%0.05815%0.15CC..  trans-76.776.4-179.532.1-38.5000112.3I145 G221 L228 I246I145-P223 HydrophobicContact CD1-CB 3.87Å; I145-P223 HydrophobicContact CD1-CG 3.37Å; I145-P223 HydrophobicContact CG1-CB 3.83Å; I145-P223 HydrophobicContact CG1-CG 3.62Å; I145-P223 HydrophobicContact CG2-CG 4.48Å; G221-P223 VanDerWaalsContact O-CD 3.24Å; G221-P223 WeakPolarHBondContact O-CD 3.15Å; P223-L228 HydrophobicContact CB-CD2 4.13Å; P223-I246 HydrophobicContact CB-CD1 4.14Å; P223-I246 HydrophobicContact CB-CG2 4.31Å
224T96.9Very high94.2Very high8 Ų826 Ų265%0.04913%0.133CC..  trans-77.4165.9-179.8610000113.4D199 D217 K222 L227 L228D199-T224 HydrophobicContact CB-CG2 4.23Å; D217-T224 HydrophobicContact CB-CG2 3.95Å; D217-T224 WeakPolarHBondContact OD2-CG2 3.28Å; K222-T224 VanDerWaalsContact C-N 3.34Å; K222-T224 HydrophobicContact CB-CG2 4.45Å; K222-T224 PolarHBondContact O-N 3.11Å; T224-L227 WeakPolarHBondContact O-CB 3.44Å; T224-L227 PolarHBondContact O-N 3.36Å; T224-L228 WeakPolarHBondContact O-CG 3.14Å; T224-L228 PolarHBondContact O-N 3.22Å
225L97.4Very high94.9Very high2 Ų228 Ų281%0.0115%0.146CC..Hα-helixtrans-55.4-43-174-167.263000114.8E147 Y150 L196 L227 L228 H229 W270 T271 R274E147-L225 HydrophobicContact CG-CD1 4.04Å; Y150-L225 HydrophobicContact CD1-CB 4.11Å; Y150-L225 HydrophobicContact CD1-CD1 4.09Å; Y150-L225 HydrophobicContact CE1-CB 3.53Å; Y150-L225 HydrophobicContact CE1-CD1 4.2Å; Y150-L225 HydrophobicContact CE1-CD2 4.23Å; Y150-L225 HydrophobicContact CE1-CG 4.18Å; Y150-L225 HydrophobicContact CE2-CB 4.24Å; L196-L225 HydrophobicContact CD2-CB 4.4Å; L196-L225 HydrophobicContact CD2-CD2 3.46Å; L196-L225 VanDerWaalsContact CD2-CD2 3.46Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.41Å; L225-L228 PolarHBondContact O-N 3.03Å; L225-H229 WeakPolarHBondContact O-CB 3.16Å; L225-H229 PolarHBondContact O-N 3Å; L225-W270 HydrophobicContact CD1-CH2 3.94Å; L225-W270 HydrophobicContact CD1-CZ3 3.63Å; L225-W270 HydrophobicContact CD2-CE3 4.46Å; L225-W270 HydrophobicContact CD2-CH2 4.23Å; L225-W270 HydrophobicContact CD2-CZ3 3.73Å; L225-W270 HydrophobicContact CG-CE3 4.38Å; L225-W270 HydrophobicContact CG-CH2 4.25Å; L225-W270 HydrophobicContact CG-CZ3 3.53Å; L225-T271 HydrophobicContact CD2-CG2 4.32Å; L225-R274 HydrophobicContact CD2-CB 4.47Å; L225-R274 HydrophobicContact CD2-CG 4.28Å
226P96.7Very high95.4Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-58.2-38.9174.9-25.334.2000113.8Y203 A230 M262 S267 L268 T271Y203-P226 HydrophobicContact CD2-CB 4.36Å; Y203-P226 HydrophobicContact CD2-CG 4.35Å; P226-A230 WeakPolarHBondContact O-CB 3.49Å; P226-A230 PolarHBondContact O-N 3.45Å; P226-M262 HydrophobicContact CB-CE 3.75Å; P226-M262 HydrophobicContact CB-SD 4.02Å; P226-S267 WeakPolarHBondContact O-CB 3.28Å; P226-L268 HydrophobicContact CB-CD2 3.98Å; P226-L268 HydrophobicContact CG-CD2 4.29Å; P226-T271 HydrophobicContact CG-CG2 3.99Å
227L97Very high95.8Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-69.2-47.3178-71.8173.2000111.2Y203 L218 K222 T224 L225 H229 A230 M231 I242 I246 V258 M262Y203-L227 HydrophobicContact CE1-CD2 4.17Å; Y203-L227 HydrophobicContact CE1-CG 4.37Å; Y203-L227 WeakPolarHBondContact OH-CD1 3.46Å; Y203-L227 WeakPolarHBondContact OH-CG 3.3Å; L218-L227 HydrophobicContact CD1-CD1 4.24Å; L218-L227 HydrophobicContact CD1-CD2 3.9Å; K222-L227 WeakPolarHBondContact O-CD1 3.46Å; T224-L227 WeakPolarHBondContact O-CB 3.44Å; T224-L227 PolarHBondContact O-N 3.36Å; L225-L227 VanDerWaalsContact C-N 3.3Å; L225-L227 PolarHBondContact O-N 3.41Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 2.94Å; L227-M231 WeakPolarHBondContact O-CB 3.5Å; L227-M231 PolarHBondContact O-N 2.91Å; L227-I242 HydrophobicContact CB-CG2 4.25Å; L227-I242 HydrophobicContact CD2-CG2 3.94Å; L227-I246 HydrophobicContact CB-CD1 4.48Å; L227-I246 HydrophobicContact CD1-CD1 4.37Å; L227-I246 HydrophobicContact CD1-CG1 4.29Å; L227-V258 HydrophobicContact CD2-CG1 3.72Å; L227-M262 HydrophobicContact CB-CE 4.39Å; L227-M262 HydrophobicContact CD2-CE 3.33Å; L227-M262 HydrophobicContact CG-CE 3.69Å
228L97.1Very high96Very high4 Ų437.8 Ų37.82%0.02120%0.198CC..Hα-helixtrans-58.4-43.5177.7-66.4178000111I145 Y150 P223 T224 L225 M231 H232I145-L228 HydrophobicContact CD1-CD1 4.09Å; I145-L228 HydrophobicContact CG1-CD1 4.17Å; I145-L228 HydrophobicContact CG1-CD2 3.98Å; Y150-L228 HydrophobicContact CG-CD1 4.3Å; P223-L228 HydrophobicContact CB-CD2 4.13Å; T224-L228 WeakPolarHBondContact O-CG 3.14Å; T224-L228 PolarHBondContact O-N 3.22Å; L225-L228 PolarHBondContact O-N 3.03Å; L228-M231 HydrophobicContact CD2-CE 4.22Å; L228-M231 PolarHBondContact O-N 3.47Å; L228-H232 PolarHBondContact O-N 3.04Å; L228-H232 VanDerWaalsContact O-N 3.08Å; L228-H232 PolarHBondContact O-ND1 3.26Å
229H97.6Very high96.2Very high17 Ų1738.7 Ų38.78%0.07921%0.206CC..Hα-helixtrans-63.1-47.5176.6-176-86.4000112L225 L227 M231 H232 H233 C265 S267 W270L225-H229 WeakPolarHBondContact O-CB 3.16Å; L225-H229 PolarHBondContact O-N 3Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.47Å; H229-M231 VanDerWaalsContact C-N 3.33Å; H229-M231 PolarHBondContact O-N 3.3Å; H229-H232 PolarHBondContact O-N 3.28Å; H229-H233 AromaticContact CD2-CE1 3.58Å; H229-H233 AromaticContact CD2-ND1 3.5Å; H229-H233 PolarHBondContact CD2-ND1 2.9Å; H229-H233 AromaticContact CE1-CG 3.94Å; H229-H233 AromaticContact CE1-ND1 3.71Å; H229-H233 AromaticContact CG-ND1 3.81Å; H229-H233 AromaticContact ND1-ND1 3.92Å; H229-H233 AromaticContact NE2-CE1 3.54Å; H229-H233 AromaticContact NE2-CG 3.92Å; H229-H233 AromaticContact NE2-ND1 3.44Å; H229-H233 PolarHBondContact NE2-ND1 3.48Å; H229-H233 WeakPolarHBondContact O-CB 3.34Å; H229-H233 PolarHBondContact O-N 3.33Å; H229-H233 PolarHBondContact O-ND1 3.24Å; H229-C265 PolarHBondContact CE1-O 3.42Å; H229-S267 WeakPolarHBondContact ND1-CA 3.22Å; H229-S267 WeakPolarHBondContact ND1-CB 3.15Å; H229-S267 PolarHBondContact ND1-OG 3.29Å; H229-W270 HydrophobicContact CB-CE3 3.77Å; H229-W270 HydrophobicContact CB-CZ3 3.87Å; H229-W270 AromaticContact CD2-CD2 3.29Å; H229-W270 AromaticContact CD2-CE2 3.78Å; H229-W270 AromaticContact CD2-CE3 3.28Å; H229-W270 AromaticContact CD2-CG 3.72Å; H229-W270 AromaticContact CD2-CZ3 3.72Å; H229-W270 AromaticContact CG-CE3 3.62Å; H229-W270 AromaticContact NE2-CD2 3.74Å; H229-W270 AromaticContact NE2-CG 3.64Å
230A97.3Very high96.5Very high0 Ų041.1 Ų41.10%022%0.215CC..Hα-helixtrans-62.3-38.8178.500000112.3P226 L227 G234 I242 M262 S267P226-A230 WeakPolarHBondContact O-CB 3.49Å; P226-A230 PolarHBondContact O-N 3.45Å; L227-A230 PolarHBondContact O-N 2.94Å; A230-G234 WeakPolarHBondContact O-CA 3.45Å; A230-G234 PolarHBondContact O-N 3.14Å; A230-I242 HydrophobicContact CB-CD1 3.55Å; A230-M262 HydrophobicContact CB-CG 3.95Å; A230-S267 VanDerWaalsContact CA-OG 3.3Å; A230-S267 WeakPolarHBondContact CA-OG 3.5Å; A230-S267 WeakPolarHBondContact CB-OG 3.47Å; A230-S267 PolarHBondContact N-OG 2.87Å; A230-S267 VanDerWaalsContact N-OG 3.16Å
231M96.5Very high96.8Very high15 Ų1540.3 Ų40.37%0.07421%0.212CC..Hα-helixtrans-67.1-36.4177.6-173.4178.762.300112.3P143 L227 L228 H229 A239 I242 R243P143-M231 HydrophobicContact CB-SD 4.31Å; P143-M231 WeakPolarHBondContact O-CE 3.33Å; L227-M231 WeakPolarHBondContact O-CB 3.5Å; L227-M231 PolarHBondContact O-N 2.91Å; L228-M231 HydrophobicContact CD2-CE 4.22Å; L228-M231 PolarHBondContact O-N 3.47Å; H229-M231 VanDerWaalsContact C-N 3.33Å; H229-M231 PolarHBondContact O-N 3.3Å; M231-A239 HydrophobicContact CG-CB 4.02Å; M231-A239 VanDerWaalsContact O-CB 3.3Å; M231-A239 WeakPolarHBondContact O-CB 3.37Å; M231-I242 HydrophobicContact CB-CG2 4.16Å; M231-R243 HydrophobicContact SD-CB 4.17Å
232H96Very high96.9Very high126 Ų12640.3 Ų40.358%0.58321%0.212SC*.Hα-helixtrans-79.8-25.3179.1-68.6137.8000114.5L228 H229L228-H232 PolarHBondContact O-N 3.04Å; L228-H232 VanDerWaalsContact O-N 3.08Å; L228-H232 PolarHBondContact O-ND1 3.26Å; H229-H232 PolarHBondContact O-N 3.28Å
233H97.1Very high97Very high122 Ų12242 Ų4257%0.56522%0.218SC*.Hα-helixtrans-113-9.1-174.1-62.286.6000114.4H229 C265H229-H233 AromaticContact CD2-CE1 3.58Å; H229-H233 AromaticContact CD2-ND1 3.5Å; H229-H233 PolarHBondContact CD2-ND1 2.9Å; H229-H233 AromaticContact CE1-CG 3.94Å; H229-H233 AromaticContact CE1-ND1 3.71Å; H229-H233 AromaticContact CG-ND1 3.81Å; H229-H233 AromaticContact ND1-ND1 3.92Å; H229-H233 AromaticContact NE2-CE1 3.54Å; H229-H233 AromaticContact NE2-CG 3.92Å; H229-H233 AromaticContact NE2-ND1 3.44Å; H229-H233 PolarHBondContact NE2-ND1 3.48Å; H229-H233 WeakPolarHBondContact O-CB 3.34Å; H229-H233 PolarHBondContact O-N 3.33Å; H229-H233 PolarHBondContact O-ND1 3.24Å; H233-C265 HydrophobicContact CB-CB 4.27Å
234G96.7Very high97.1Very high22 Ų2243.3 Ų43.323%0.22723%0.225CC..SBendtrans-78.6179.3177.200000113.9A230 Q238 C265A230-G234 WeakPolarHBondContact O-CA 3.45Å; A230-G234 PolarHBondContact O-N 3.14Å; G234-Q238 VanDerWaalsContact CA-OE1 3.25Å; G234-C265 WeakPolarHBondContact CA-SG 3.5Å; G234-C265 PolarHBondContact N-SG 3.41Å; G234-C265 VanDerWaalsContact N-SG 3.41Å
235T97.9Very high97.1Very high60 Ų6042.9 Ų42.937%0.36822%0.223SC..  trans-68.5160170.980.80000110.8E237 Q238 A239T235-E237 VanDerWaalsContact CB-OE2 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.42Å; T235-E237 PolarHBondContact O-N 3.25Å; T235-E237 VanDerWaalsContact O-N 3.15Å; T235-E237 PolarHBondContact OG1-N 3.41Å; T235-E237 PolarHBondContact OG1-OE2 3.24Å; T235-Q238 PolarHBondContact O-N 3.5Å; T235-Q238 PolarHBondContact OG1-N 3.07Å; T235-A239 WeakPolarHBondContact O-CB 3.43Å; T235-A239 PolarHBondContact O-N 3.22Å
236P97.6Very high97Very high102 Ų10242.8 Ų42.866%0.66222%0.222SC*.Hα-helixtrans-52.9-34.9174.2-2836.6000113.7Q240P236-Q240 VanDerWaalsContact O-CB 3.3Å; P236-Q240 WeakPolarHBondContact O-CB 2.93Å; P236-Q240 PolarHBondContact O-N 3.34Å
237E97.5Very high97Very high131 Ų13147 Ų4761%0.61224%0.242SC*.Hα-helixtrans-68.5-44176.5-58.373.4-158.900111.9T235 Q240 M241T235-E237 VanDerWaalsContact CB-OE2 3.27Å; T235-E237 WeakPolarHBondContact CB-OE2 3.42Å; T235-E237 PolarHBondContact O-N 3.25Å; T235-E237 VanDerWaalsContact O-N 3.15Å; T235-E237 PolarHBondContact OG1-N 3.41Å; T235-E237 PolarHBondContact OG1-OE2 3.24Å; E237-Q240 PolarHBondContact O-N 3.37Å; E237-M241 WeakPolarHBondContact O-CB 3.48Å; E237-M241 PolarHBondContact O-N 3.36Å
238Q97.4Very high96.9Very high45 Ų4552.1 Ų52.121%0.2127%0.266CS..Hα-helixtrans-64.3-44.8176-69.5173.4-30.100111.3G234 T235 Q240 M241 I242 A261G234-Q238 VanDerWaalsContact CA-OE1 3.25Å; T235-Q238 PolarHBondContact O-N 3.5Å; T235-Q238 PolarHBondContact OG1-N 3.07Å; Q238-Q240 PolarHBondContact O-N 3.32Å; Q238-M241 PolarHBondContact O-N 3.14Å; Q238-I242 WeakPolarHBondContact O-CG1 3.26Å; Q238-I242 PolarHBondContact O-N 2.77Å; Q238-A261 HydrophobicContact CB-CB 4.02Å; Q238-A261 HydrophobicContact CG-CB 3.88Å
239A97.4Very high96.7Very high19 Ų1953.1 Ų53.116%0.15728%0.278CS..Hα-helixtrans-60.5-45.4176.800000111.4M231 T235 M241 I242 R243M231-A239 HydrophobicContact CG-CB 4.02Å; M231-A239 VanDerWaalsContact O-CB 3.3Å; M231-A239 WeakPolarHBondContact O-CB 3.37Å; T235-A239 WeakPolarHBondContact O-CB 3.43Å; T235-A239 PolarHBondContact O-N 3.22Å; A239-M241 PolarHBondContact O-N 3.17Å; A239-I242 PolarHBondContact O-N 3.15Å; A239-R243 VanDerWaalsContact O-CB 3.22Å; A239-R243 WeakPolarHBondContact O-CB 3.4Å; A239-R243 PolarHBondContact O-N 3.29Å
240Q97.3Very high96.3Very high104 Ų10455.5 Ų55.549%0.48629%0.291SS..Hα-helixtrans-65.7-37.8177.8-174.957.847.900112.4P236 E237 Q238 T244P236-Q240 VanDerWaalsContact O-CB 3.3Å; P236-Q240 WeakPolarHBondContact O-CB 2.93Å; P236-Q240 PolarHBondContact O-N 3.34Å; E237-Q240 PolarHBondContact O-N 3.37Å; Q238-Q240 PolarHBondContact O-N 3.32Å; Q240-T244 PolarHBondContact NE2-OG1 3.23Å; Q240-T244 WeakPolarHBondContact O-CB 3.44Å; Q240-T244 PolarHBondContact O-N 3.32Å; Q240-T244 PolarHBondContact O-OG1 3.42Å
241M97Very high95.9Very high41 Ų4155.5 Ų55.520%0.20229%0.291CS..Hα-helixtrans-63.2-49.8175.7176.4-176.169.400111.5E237 Q238 A239 R243 T244 A245 L254 P257 V258 A261E237-M241 WeakPolarHBondContact O-CB 3.48Å; E237-M241 PolarHBondContact O-N 3.36Å; Q238-M241 PolarHBondContact O-N 3.14Å; A239-M241 PolarHBondContact O-N 3.17Å; M241-R243 PolarHBondContact O-N 3.44Å; M241-T244 PolarHBondContact O-N 3.09Å; M241-A245 PolarHBondContact O-N 2.94Å; M241-L254 HydrophobicContact CG-CD1 4.22Å; M241-L254 HydrophobicContact CG-CD2 4.36Å; M241-P257 HydrophobicContact CE-CB 3.93Å; M241-P257 HydrophobicContact CE-CG 4.48Å; M241-P257 WeakPolarHBondContact CE-O 3.14Å; M241-P257 HydrophobicContact SD-CB 3.66Å; M241-P257 HydrophobicContact SD-CG 3.83Å; M241-V258 HydrophobicContact CE-CG2 3.98Å; M241-A261 HydrophobicContact CE-CB 4.42Å
242I97.1Very high95.6Very high0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-61.6-45.4178.1-69.5164.2000110.6L227 A230 M231 Q238 A239 T244 A245 I246 V258 A261L227-I242 HydrophobicContact CB-CG2 4.25Å; L227-I242 HydrophobicContact CD2-CG2 3.94Å; A230-I242 HydrophobicContact CB-CD1 3.55Å; M231-I242 HydrophobicContact CB-CG2 4.16Å; Q238-I242 WeakPolarHBondContact O-CG1 3.26Å; Q238-I242 PolarHBondContact O-N 2.77Å; A239-I242 PolarHBondContact O-N 3.15Å; I242-T244 VanDerWaalsContact C-N 3.33Å; I242-T244 PolarHBondContact O-N 3.41Å; I242-A245 WeakPolarHBondContact O-CB 3.24Å; I242-A245 PolarHBondContact O-N 3.16Å; I242-A245 VanDerWaalsContact O-N 3.16Å; I242-I246 HydrophobicContact CG2-CD1 3.86Å; I242-I246 WeakPolarHBondContact O-CG1 3.22Å; I242-I246 PolarHBondContact O-N 2.84Å; I242-V258 HydrophobicContact CG1-CG1 4.39Å; I242-V258 HydrophobicContact CG1-CG2 4.05Å; I242-A261 HydrophobicContact CD1-CB 4.33Å
243R97.4Very high95.3Very high56 Ų5658.7 Ų58.721%0.21130%0.302CS..Hα-helixtrans-53.7-49.8174.5173.8172.7-64.1-90.6-4.7112P143 D144 M231 A239 M241 A245 I246 E247P143-R243 HydrophobicContact CB-CB 4.28Å; P143-R243 HydrophobicContact CB-CG 3.86Å; P143-R243 HydrophobicContact CG-CG 3.8Å; P143-R243 VanDerWaalsContact CG-NH1 3.32Å; D144-R243 IonicContact OD1-CZ 3.12Å; D144-R243 IonicContact OD1-NH1 2.63Å; D144-R243 PolarHBondContact OD1-NH1 3.42Å; D144-R243 IonicContact OD1-NH2 3.99Å; D144-R243 PolarHBondContact OD1-NH2 2.96Å; D144-R243 IonicContact OD2-CZ 2.73Å; D144-R243 IonicContact OD2-NH1 2.83Å; D144-R243 PolarHBondContact OD2-NH1 2.93Å; M231-R243 HydrophobicContact SD-CB 4.17Å; A239-R243 VanDerWaalsContact O-CB 3.22Å; A239-R243 WeakPolarHBondContact O-CB 3.4Å; A239-R243 PolarHBondContact O-N 3.29Å; M241-R243 PolarHBondContact O-N 3.44Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3.46Å; R243-I246 PolarHBondContact O-N 3.45Å; R243-E247 HydrophobicContact CG-CG 4.36Å; R243-E247 VanDerWaalsContact CG-OE1 3.28Å; R243-E247 WeakPolarHBondContact CG-OE1 3.46Å; R243-E247 WeakPolarHBondContact O-CG 3.33Å; R243-E247 PolarHBondContact O-N 3.18Å
244T96.3Very high95.2Very high35 Ų3554.5 Ų54.522%0.21528%0.284CS..Hα-helixtrans-63.5-38.5-180-53.70000111.3Q240 M241 I242 Q248Q240-T244 PolarHBondContact NE2-OG1 3.23Å; Q240-T244 WeakPolarHBondContact O-CB 3.44Å; Q240-T244 PolarHBondContact O-N 3.32Å; Q240-T244 PolarHBondContact O-OG1 3.42Å; M241-T244 PolarHBondContact O-N 3.09Å; I242-T244 VanDerWaalsContact C-N 3.33Å; I242-T244 PolarHBondContact O-N 3.41Å; T244-Q248 HydrophobicContact CG2-CG 4.35Å; T244-Q248 VanDerWaalsContact CG2-NE2 3.32Å; T244-Q248 WeakPolarHBondContact O-CB 3.35Å; T244-Q248 VanDerWaalsContact O-CG 3.31Å; T244-Q248 WeakPolarHBondContact O-CG 3.31Å; T244-Q248 PolarHBondContact O-N 3.46Å; T244-Q248 VanDerWaalsContact O-N 3.12Å
245A96Very high95Very high0 Ų054.8 Ų54.80%028%0.28CS..Hα-helixtrans-63.5-41.8177.100000112.1L218 M241 I242 R243 G249 L254L218-A245 HydrophobicContact CD1-CB 3.62Å; L218-A245 HydrophobicContact CG-CB 4.48Å; M241-A245 PolarHBondContact O-N 2.94Å; I242-A245 WeakPolarHBondContact O-CB 3.24Å; I242-A245 PolarHBondContact O-N 3.16Å; I242-A245 VanDerWaalsContact O-N 3.16Å; R243-A245 VanDerWaalsContact C-N 3.3Å; R243-A245 PolarHBondContact O-N 3.46Å; A245-G249 PolarHBondContact O-N 3.37Å; A245-L254 HydrophobicContact CB-CD1 3.8Å
246I96.4Very high94.8Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-64.9-55.2175.3-66.9164000110.1N141 P143 G221 P223 L227 I242 R243 Q248 G249N141-I246 WeakPolarHBondContact CA-O 3.5Å; N141-I246 PolarHBondContact OD1-O 2.94Å; N141-I246 VanDerWaalsContact OD1-O 3.12Å; P143-I246 HydrophobicContact CB-CB 4.3Å; P143-I246 HydrophobicContact CB-CD1 4.33Å; P143-I246 HydrophobicContact CB-CG2 4.14Å; G221-I246 WeakPolarHBondContact CA-O 3.35Å; P223-I246 HydrophobicContact CB-CD1 4.14Å; P223-I246 HydrophobicContact CB-CG2 4.31Å; L227-I246 HydrophobicContact CB-CD1 4.48Å; L227-I246 HydrophobicContact CD1-CD1 4.37Å; L227-I246 HydrophobicContact CD1-CG1 4.29Å; I242-I246 HydrophobicContact CG2-CD1 3.86Å; I242-I246 WeakPolarHBondContact O-CG1 3.22Å; I242-I246 PolarHBondContact O-N 2.84Å; R243-I246 PolarHBondContact O-N 3.45Å; I246-Q248 PolarHBondContact O-N 3.36Å; I246-Q248 VanDerWaalsContact O-N 3.16Å; I246-G249 PolarHBondContact O-N 2.92Å; I246-G249 VanDerWaalsContact O-N 3.15Å
247E96.9Very high94.7Very high88 Ų8856.7 Ų56.741%0.41128%0.28SS..Hα-helixtrans-56.8-34.1-176.4-73.3171.1176.500113.4P143 R243P143-E247 HydrophobicContact CG-CG 3.73Å; R243-E247 HydrophobicContact CG-CG 4.36Å; R243-E247 VanDerWaalsContact CG-OE1 3.28Å; R243-E247 WeakPolarHBondContact CG-OE1 3.46Å; R243-E247 WeakPolarHBondContact O-CG 3.33Å; R243-E247 PolarHBondContact O-N 3.18Å
248Q94.4Very high94.7Very high107 Ų10750.4 Ų50.450%0.525%0.25SS..Hα-helixtrans-88.6-17-177.3-67.2-174.313.600114.2T244 I246 N250T244-Q248 HydrophobicContact CG2-CG 4.35Å; T244-Q248 VanDerWaalsContact CG2-NE2 3.32Å; T244-Q248 WeakPolarHBondContact O-CB 3.35Å; T244-Q248 VanDerWaalsContact O-CG 3.31Å; T244-Q248 WeakPolarHBondContact O-CG 3.31Å; T244-Q248 PolarHBondContact O-N 3.46Å; T244-Q248 VanDerWaalsContact O-N 3.12Å; I246-Q248 PolarHBondContact O-N 3.36Å; I246-Q248 VanDerWaalsContact O-N 3.16Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 VanDerWaalsContact CB-OD1 3.29Å; Q248-N250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-N250 PolarHBondContact O-N 3.2Å; Q248-N250 PolarHBondContact OE1-ND2 3.05Å; Q248-N250 PolarHBondContact OE1-OD1 3.41Å
249G92.2Very high94.5Very high26 Ų2650 Ų5027%0.26825%0.25SC..THydrogen-bonded Turntrans52.644-176.600000112.9N219 A245 I246N219-G249 CarbonylContact O-C 3.57Å; A245-G249 PolarHBondContact O-N 3.37Å; I246-G249 PolarHBondContact O-N 2.92Å; I246-G249 VanDerWaalsContact O-N 3.15Å
250N89.7Confident94.4Very high66 Ų6655.8 Ų55.835%0.35327%0.273SS..  trans-151.525-179.168.711.4000112.8N219 Q248 R252 H253N219-N250 PolarHBondContact O-N 2.9Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 VanDerWaalsContact CB-OD1 3.29Å; Q248-N250 WeakPolarHBondContact CB-OD1 3.4Å; Q248-N250 PolarHBondContact O-N 3.2Å; Q248-N250 PolarHBondContact OE1-ND2 3.05Å; Q248-N250 PolarHBondContact OE1-OD1 3.41Å; N250-R252 PolarHBondContact O-N 2.94Å; N250-H253 PolarHBondContact O-CE1 2.92Å; N250-H253 PolarHBondContact O-ND1 3.02Å
251G89.5Confident94.4Very high0 Ų050.8 Ų50.80%025%0.25CS..G310 helixtrans-69.92.8-165.800000116.7L218 H253 L254 L255L218-G251 WeakPolarHBondContact CD2-O 3.4Å; G251-H253 PolarHBondContact O-N 3.42Å; G251-H253 VanDerWaalsContact O-N 3.16Å; G251-L254 CarbonylContact O-C 3.59Å; G251-L254 WeakPolarHBondContact O-CA 3.49Å; G251-L254 WeakPolarHBondContact O-CB 3.47Å; G251-L254 PolarHBondContact O-N 3.26Å; G251-L255 PolarHBondContact O-N 3.43Å
252R89.2Confident94.4Very high76 Ų7648.9 Ų48.929%0.28724%0.241SC..G310 helixtrans-53.7-40.2-177.9-170.571.762.4171.22.1113.2N213 V214 G215 D216 N219 N250 L254 L255N213-R252 PolarHBondContact O-NH1 3.27Å; V214-R252 PolarHBondContact O-NH1 3.1Å; G215-R252 PolarHBondContact O-NH1 2.91Å; D216-R252 IonicContact OD1-CZ 2.69Å; D216-R252 IonicContact OD1-NH1 3.2Å; D216-R252 PolarHBondContact OD1-NH1 2.57Å; D216-R252 IonicContact OD1-NH2 3.4Å; D216-R252 PolarHBondContact OD1-NH2 3.15Å; N219-R252 HydrophobicContact CB-CB 4.29Å; N219-R252 WeakPolarHBondContact OD1-CB 3.43Å; N250-R252 PolarHBondContact O-N 2.94Å; R252-L254 PolarHBondContact O-N 3.28Å; R252-L255 WeakPolarHBondContact O-CB 3.32Å; R252-L255 PolarHBondContact O-N 3.31Å
253H91.4Very high94.3Very high132 Ų13255.3 Ų55.361%0.61128%0.275SS*.G310 helixtrans-67-13.8179.669.5-76.7000113.5N250 G251N250-H253 PolarHBondContact O-CE1 2.92Å; N250-H253 PolarHBondContact O-ND1 3.02Å; G251-H253 PolarHBondContact O-N 3.42Å; G251-H253 VanDerWaalsContact O-N 3.16Å
254L94.2Very high94.3Very high34 Ų3456.1 Ų56.118%0.17829%0.293CS..G310 helixtrans-103.17175.5-58.9172.3000112.2M241 A245 G251 R252 E256 P257 V258M241-L254 HydrophobicContact CG-CD1 4.22Å; M241-L254 HydrophobicContact CG-CD2 4.36Å; A245-L254 HydrophobicContact CB-CD1 3.8Å; G251-L254 CarbonylContact O-C 3.59Å; G251-L254 WeakPolarHBondContact O-CA 3.49Å; G251-L254 WeakPolarHBondContact O-CB 3.47Å; G251-L254 PolarHBondContact O-N 3.26Å; R252-L254 PolarHBondContact O-N 3.28Å; L254-E256 PolarHBondContact O-N 3.32Å; L254-P257 HydrophobicContact CB-CG 4.4Å; L254-P257 WeakPolarHBondContact O-CD 3.26Å; L254-P257 VanDerWaalsContact O-CG 3.24Å; L254-P257 WeakPolarHBondContact O-CG 3.42Å; L254-V258 HydrophobicContact CB-CG2 4.22Å; L254-V258 VanDerWaalsContact O-CB 3.32Å; L254-V258 WeakPolarHBondContact O-CB 3.5Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.87Å
255L93.3Very high94.3Very high28 Ų2855.8 Ų55.815%0.14729%0.292CS..Hα-helixtrans-57-52.1-175179.663.2000112.4Y203 V214 L218 G251 R252 V258 L259Y203-L255 HydrophobicContact CD1-CD1 4.48Å; V214-L255 HydrophobicContact CB-CD2 4.28Å; V214-L255 HydrophobicContact CG1-CD1 4.4Å; V214-L255 HydrophobicContact CG1-CD2 4.14Å; V214-L255 WeakPolarHBondContact O-CD2 3.37Å; L218-L255 HydrophobicContact CD2-CB 4.46Å; L218-L255 HydrophobicContact CD2-CD1 4.15Å; G251-L255 PolarHBondContact O-N 3.43Å; R252-L255 WeakPolarHBondContact O-CB 3.32Å; R252-L255 PolarHBondContact O-N 3.31Å; L255-V258 PolarHBondContact O-N 2.87Å; L255-L259 HydrophobicContact CD1-CD1 4.1Å; L255-L259 HydrophobicContact CD1-CD2 4.47Å; L255-L259 HydrophobicContact CD1-CG 4.06Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 HydrophobicContact CG-CG 4.34Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 3.47Å
256E93.3Very high94.3Very high158 Ų15857.3 Ų57.374%0.73831%0.308SS*.Hα-helixtrans-54.6-55.5179.1-69.3-178.616900112.7L254 V258 L259 E260L254-E256 PolarHBondContact O-N 3.32Å; E256-V258 VanDerWaalsContact C-N 3.3Å; E256-V258 PolarHBondContact O-N 3.22Å; E256-L259 PolarHBondContact O-N 3.46Å; E256-E260 WeakPolarHBondContact O-CG 3.39Å; E256-E260 PolarHBondContact O-N 2.94Å
257P95.6Very high94.4Very high44 Ų4457.3 Ų57.329%0.28631%0.308SS..Hα-helixtrans-68.1-27.3179.526.9-35.8000113.4M241 L254 E260 A261M241-P257 HydrophobicContact CE-CB 3.93Å; M241-P257 HydrophobicContact CE-CG 4.48Å; M241-P257 WeakPolarHBondContact CE-O 3.14Å; M241-P257 HydrophobicContact SD-CB 3.66Å; M241-P257 HydrophobicContact SD-CG 3.83Å; L254-P257 HydrophobicContact CB-CG 4.4Å; L254-P257 WeakPolarHBondContact O-CD 3.26Å; L254-P257 VanDerWaalsContact O-CG 3.24Å; L254-P257 WeakPolarHBondContact O-CG 3.42Å; P257-E260 PolarHBondContact O-N 2.86Å; P257-A261 PolarHBondContact O-N 3.33Å
258V96Very high94.3Very high0 Ų055.3 Ų55.30%030%0.3CS..Hα-helixtrans-66.5-43.2171.5168.60000111L218 L227 M241 I242 L254 L255 E256 E260 A261 M262L218-V258 HydrophobicContact CD1-CG2 4.37Å; L218-V258 HydrophobicContact CD2-CB 4.12Å; L218-V258 HydrophobicContact CD2-CG1 4.16Å; L218-V258 HydrophobicContact CD2-CG2 4.04Å; L227-V258 HydrophobicContact CD2-CG1 3.72Å; M241-V258 HydrophobicContact CE-CG2 3.98Å; I242-V258 HydrophobicContact CG1-CG1 4.39Å; I242-V258 HydrophobicContact CG1-CG2 4.05Å; L254-V258 HydrophobicContact CB-CG2 4.22Å; L254-V258 VanDerWaalsContact O-CB 3.32Å; L254-V258 WeakPolarHBondContact O-CB 3.5Å; L254-V258 WeakPolarHBondContact O-CG2 3.14Å; L254-V258 PolarHBondContact O-N 2.87Å; L255-V258 PolarHBondContact O-N 2.87Å; E256-V258 VanDerWaalsContact C-N 3.3Å; E256-V258 PolarHBondContact O-N 3.22Å; V258-E260 VanDerWaalsContact C-N 3.33Å; V258-E260 PolarHBondContact O-N 3.02Å; V258-A261 WeakPolarHBondContact O-CB 3.35Å; V258-A261 PolarHBondContact O-N 3.41Å; V258-M262 HydrophobicContact CG1-CE 3.91Å; V258-M262 HydrophobicContact CG1-CG 4.47Å; V258-M262 WeakPolarHBondContact O-CG 3.29Å; V258-M262 PolarHBondContact O-N 3.16Å
259L95Very high94.3Very high37 Ų3756 Ų5619%0.19430%0.303CS..Hα-helixtrans-63.1-39.3175-69.3176000111.6Y203 L255 E256 M262 N263Y203-L259 HydrophobicContact CD1-CD2 4.14Å; Y203-L259 HydrophobicContact CG-CD2 4.48Å; Y203-L259 WeakPolarHBondContact O-CD2 3.43Å; L255-L259 HydrophobicContact CD1-CD1 4.1Å; L255-L259 HydrophobicContact CD1-CD2 4.47Å; L255-L259 HydrophobicContact CD1-CG 4.06Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 HydrophobicContact CG-CG 4.34Å; L255-L259 VanDerWaalsContact O-CG 3.29Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 3.47Å; E256-L259 PolarHBondContact O-N 3.46Å; L259-M262 HydrophobicContact CD2-SD 4.45Å; L259-M262 PolarHBondContact O-N 3.46Å; L259-N263 WeakPolarHBondContact O-CB 3.32Å; L259-N263 PolarHBondContact O-N 3.4Å
260E95.4Very high94.5Very high139 Ų13958 Ų5865%0.6530%0.303SS*.Hα-helixtrans-60.5-43.9172.6-71-179172.900111.8E256 P257 V258 N263 A264E256-E260 WeakPolarHBondContact O-CG 3.39Å; E256-E260 PolarHBondContact O-N 2.94Å; P257-E260 PolarHBondContact O-N 2.86Å; V258-E260 VanDerWaalsContact C-N 3.33Å; V258-E260 PolarHBondContact O-N 3.02Å; E260-N263 PolarHBondContact O-N 2.89Å; E260-A264 WeakPolarHBondContact O-CB 3.22Å; E260-A264 PolarHBondContact O-N 2.92Å
261A96.9Very high94.9Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-63.8-44.7175.800000112Q238 M241 I242 P257 V258 N263 A264 C265Q238-A261 HydrophobicContact CB-CB 4.02Å; Q238-A261 HydrophobicContact CG-CB 3.88Å; M241-A261 HydrophobicContact CE-CB 4.42Å; I242-A261 HydrophobicContact CD1-CB 4.33Å; P257-A261 PolarHBondContact O-N 3.33Å; V258-A261 WeakPolarHBondContact O-CB 3.35Å; V258-A261 PolarHBondContact O-N 3.41Å; A261-N263 VanDerWaalsContact C-N 3.33Å; A261-N263 PolarHBondContact O-N 3.3Å; A261-A264 PolarHBondContact O-N 3.48Å; A261-C265 WeakPolarHBondContact O-CB 3.3Å; A261-C265 PolarHBondContact O-N 3.49Å; A261-C265 PolarHBondContact O-SG 2.89Å
262M96.7Very high95.2Very high1 Ų157.2 Ų57.21%0.00530%0.295CS..Hα-helixtrans-59.8-42.7175.2-73.8-173.5178.900112Y203 P226 L227 A230 V258 L259 C265 G266 S267 L268Y203-M262 HydrophobicContact CD1-CE 3.5Å; Y203-M262 HydrophobicContact CD1-SD 3.83Å; Y203-M262 HydrophobicContact CD2-CE 4.08Å; Y203-M262 HydrophobicContact CD2-SD 4.48Å; Y203-M262 HydrophobicContact CE1-CE 3.56Å; Y203-M262 HydrophobicContact CE1-SD 4.48Å; Y203-M262 HydrophobicContact CE2-CE 4.17Å; Y203-M262 HydrophobicContact CG-CE 3.78Å; Y203-M262 HydrophobicContact CG-SD 3.83Å; P226-M262 HydrophobicContact CB-CE 3.75Å; P226-M262 HydrophobicContact CB-SD 4.02Å; L227-M262 HydrophobicContact CB-CE 4.39Å; L227-M262 HydrophobicContact CD2-CE 3.33Å; L227-M262 HydrophobicContact CG-CE 3.69Å; A230-M262 HydrophobicContact CB-CG 3.95Å; V258-M262 HydrophobicContact CG1-CE 3.91Å; V258-M262 HydrophobicContact CG1-CG 4.47Å; V258-M262 WeakPolarHBondContact O-CG 3.29Å; V258-M262 PolarHBondContact O-N 3.16Å; L259-M262 HydrophobicContact CD2-SD 4.45Å; L259-M262 PolarHBondContact O-N 3.46Å; M262-C265 PolarHBondContact O-N 3.12Å; M262-G266 PolarHBondContact O-N 3.16Å; M262-S267 PolarHBondContact O-N 3.15Å; M262-L268 HydrophobicContact CB-CG 4.49Å; M262-L268 HydrophobicContact SD-CD2 3.91Å; M262-L268 HydrophobicContact SD-CG 4.38Å
263N95.4Very high95.6Very high134 Ų13458.3 Ų58.372%0.71730%0.303SS*.Hα-helixtrans-66-43.2177.2-177.965000111.7L259 E260 A261 C265 G266L259-N263 WeakPolarHBondContact O-CB 3.32Å; L259-N263 PolarHBondContact O-N 3.4Å; E260-N263 PolarHBondContact O-N 2.89Å; A261-N263 VanDerWaalsContact C-N 3.33Å; A261-N263 PolarHBondContact O-N 3.3Å; N263-C265 VanDerWaalsContact C-N 3.27Å; N263-C265 PolarHBondContact O-N 3.32Å; N263-G266 PolarHBondContact O-N 3.4Å
264A96.6Very high95.9Very high73 Ų7355.4 Ų55.460%0.60329%0.287SS*.Hα-helixtrans-62.3-34.5176.800000112.7E260 A261E260-A264 WeakPolarHBondContact O-CB 3.22Å; E260-A264 PolarHBondContact O-N 2.92Å; A261-A264 PolarHBondContact O-N 3.48Å
265C96.3Very high96.1Very high28 Ų2853.8 Ų53.819%0.18928%0.278CS..Hα-helixtrans-86.7-11.6178.1-59.30000113.6H229 H233 G234 A261 M262 N263 S267H229-C265 PolarHBondContact CE1-O 3.42Å; H233-C265 HydrophobicContact CB-CB 4.27Å; G234-C265 WeakPolarHBondContact CA-SG 3.5Å; G234-C265 PolarHBondContact N-SG 3.41Å; G234-C265 VanDerWaalsContact N-SG 3.41Å; A261-C265 WeakPolarHBondContact O-CB 3.3Å; A261-C265 PolarHBondContact O-N 3.49Å; A261-C265 PolarHBondContact O-SG 2.89Å; M262-C265 PolarHBondContact O-N 3.12Å; N263-C265 VanDerWaalsContact C-N 3.27Å; N263-C265 PolarHBondContact O-N 3.32Å; C265-S267 VanDerWaalsContact C-N 3.29Å; C265-S267 WeakPolarHBondContact CB-OG 3.48Å; C265-S267 PolarHBondContact O-N 3.05Å
266G96.7Very high96.3Very high32 Ų3256.2 Ų56.233%0.3329%0.289SS..THydrogen-bonded Turntrans6824.9-17100000114M262 N263 L268 E269 W270M262-G266 PolarHBondContact O-N 3.16Å; N263-G266 PolarHBondContact O-N 3.4Å; G266-L268 PolarHBondContact O-N 2.95Å; G266-E269 PolarHBondContact O-N 3.35Å; G266-W270 WeakPolarHBondContact O-CB 3.48Å; G266-W270 PolarHBondContact O-N 3.48Å
267S97.1Very high96.5Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-63.5-37-171.2-58.90000114.2P226 H229 A230 M262 C265 T271P226-S267 WeakPolarHBondContact O-CB 3.28Å; H229-S267 WeakPolarHBondContact ND1-CA 3.22Å; H229-S267 WeakPolarHBondContact ND1-CB 3.15Å; H229-S267 PolarHBondContact ND1-OG 3.29Å; A230-S267 VanDerWaalsContact CA-OG 3.3Å; A230-S267 WeakPolarHBondContact CA-OG 3.5Å; A230-S267 WeakPolarHBondContact CB-OG 3.47Å; A230-S267 PolarHBondContact N-OG 2.87Å; A230-S267 VanDerWaalsContact N-OG 3.16Å; M262-S267 PolarHBondContact O-N 3.15Å; C265-S267 VanDerWaalsContact C-N 3.29Å; C265-S267 WeakPolarHBondContact CB-OG 3.48Å; C265-S267 PolarHBondContact O-N 3.05Å; S267-T271 WeakPolarHBondContact O-CB 3.42Å; S267-T271 PolarHBondContact O-N 3.38Å; S267-T271 PolarHBondContact O-OG1 2.81Å
268L94.9Very high96.7Very high46 Ų4650.7 Ų50.724%0.24126%0.259CS..Hα-helixtrans-70-43.6178-61.1179.4000111.2L200 P226 M262 G266 T271 R272L200-L268 WeakPolarHBondContact CD1-O 3.45Å; L200-L268 HydrophobicContact CG-CB 4.49Å; L200-L268 HydrophobicContact CG-CD2 4.23Å; P226-L268 HydrophobicContact CB-CD2 3.98Å; P226-L268 HydrophobicContact CG-CD2 4.29Å; M262-L268 HydrophobicContact CB-CG 4.49Å; M262-L268 HydrophobicContact SD-CD2 3.91Å; M262-L268 HydrophobicContact SD-CG 4.38Å; G266-L268 PolarHBondContact O-N 2.95Å; L268-T271 PolarHBondContact O-N 3.19Å; L268-R272 PolarHBondContact O-N 3.28Å
269E95.2Very high96.8Very high121 Ų12150.7 Ų50.757%0.56526%0.26SS*.Hα-helixtrans-64.8-41.9176.7-175.259.4-164.500111.3G266 T271 R272 Q273G266-E269 PolarHBondContact O-N 3.35Å; E269-T271 PolarHBondContact O-N 2.99Å; E269-R272 WeakPolarHBondContact O-CB 3.41Å; E269-R272 PolarHBondContact O-N 3.34Å; E269-Q273 PolarHBondContact O-N 3.4Å
270W97.1Very high96.9Very high69 Ų6953.7 Ų53.726%0.26128%0.276SS..Hα-helixtrans-61.3-43.2174.9-177.380.1000112.3L225 H229 G266 R272 Q273 R274L225-W270 HydrophobicContact CD1-CH2 3.94Å; L225-W270 HydrophobicContact CD1-CZ3 3.63Å; L225-W270 HydrophobicContact CD2-CE3 4.46Å; L225-W270 HydrophobicContact CD2-CH2 4.23Å; L225-W270 HydrophobicContact CD2-CZ3 3.73Å; L225-W270 HydrophobicContact CG-CE3 4.38Å; L225-W270 HydrophobicContact CG-CH2 4.25Å; L225-W270 HydrophobicContact CG-CZ3 3.53Å; H229-W270 HydrophobicContact CB-CE3 3.77Å; H229-W270 HydrophobicContact CB-CZ3 3.87Å; H229-W270 AromaticContact CD2-CD2 3.29Å; H229-W270 AromaticContact CD2-CE2 3.78Å; H229-W270 AromaticContact CD2-CE3 3.28Å; H229-W270 AromaticContact CD2-CG 3.72Å; H229-W270 AromaticContact CD2-CZ3 3.72Å; H229-W270 AromaticContact CG-CE3 3.62Å; H229-W270 AromaticContact NE2-CD2 3.74Å; H229-W270 AromaticContact NE2-CG 3.64Å; G266-W270 WeakPolarHBondContact O-CB 3.48Å; G266-W270 PolarHBondContact O-N 3.48Å; W270-R272 VanDerWaalsContact C-N 3.33Å; W270-R272 PolarHBondContact O-N 2.8Å; W270-Q273 PolarHBondContact O-N 3.12Å; W270-R274 PolarHBondContact O-N 3.48Å
271T97.2Very high97.1Very high0 Ų051 Ų510%026%0.262CS..Hα-helixtrans-63.7-39.5176-58.40000111.5L200 L225 P226 S267 L268 E269 R274 A275L200-T271 HydrophobicContact CB-CG2 4.13Å; L200-T271 HydrophobicContact CD1-CG2 4.36Å; L225-T271 HydrophobicContact CD2-CG2 4.32Å; P226-T271 HydrophobicContact CG-CG2 3.99Å; S267-T271 WeakPolarHBondContact O-CB 3.42Å; S267-T271 PolarHBondContact O-N 3.38Å; S267-T271 PolarHBondContact O-OG1 2.81Å; L268-T271 PolarHBondContact O-N 3.19Å; E269-T271 PolarHBondContact O-N 2.99Å; T271-R274 WeakPolarHBondContact O-CB 3.36Å; T271-R274 PolarHBondContact O-N 3.48Å; T271-A275 PolarHBondContact O-N 2.65Å
272R96.5Very high97.2Very high49 Ų4951 Ų5119%0.18526%0.262CS..Hα-helixtrans-61.3-49.4174.2-178.8179.6-59.1-71.8-0.7111.4L200 L268 E269 W270 R274 A275 E276 V306L200-R272 HydrophobicContact CD1-CB 3.73Å; L268-R272 PolarHBondContact O-N 3.28Å; E269-R272 WeakPolarHBondContact O-CB 3.41Å; E269-R272 PolarHBondContact O-N 3.34Å; W270-R272 VanDerWaalsContact C-N 3.33Å; W270-R272 PolarHBondContact O-N 2.8Å; R272-R274 PolarHBondContact O-N 3.04Å; R272-A275 WeakPolarHBondContact O-CA 3.31Å; R272-A275 WeakPolarHBondContact O-CB 3.23Å; R272-A275 PolarHBondContact O-N 3.26Å; R272-E276 WeakPolarHBondContact O-CG 3.23Å; R272-E276 PolarHBondContact O-N 3.46Å; R272-V306 PolarHBondContact NH1-O 3.24Å
273Q97.1Very high97.3Very high99 Ų9952.1 Ų52.146%0.46327%0.268SS..Hα-helixtrans-56.4-41176.8-175.7-179.311.800110.8E269 W270 A275 E276 E277E269-Q273 PolarHBondContact O-N 3.4Å; W270-Q273 PolarHBondContact O-N 3.12Å; Q273-A275 VanDerWaalsContact C-N 3.34Å; Q273-A275 PolarHBondContact O-N 3.03Å; Q273-E276 WeakPolarHBondContact O-CB 3.35Å; Q273-E276 PolarHBondContact O-N 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.35Å; Q273-E277 PolarHBondContact O-N 3.01Å
274R97.7Very high97.4Very high71 Ų7148.7 Ų48.727%0.26826%0.258SS..Hα-helixtrans-62.1-40.7176.2-154.458.2137.91461.7112.8E147 L196 L225 W270 T271 R272 E277 E278E147-R274 IonicContact OE1-CZ 2.68Å; E147-R274 IonicContact OE1-NE 2.66Å; E147-R274 IonicContact OE1-NH2 3.24Å; E147-R274 PolarHBondContact OE1-NH2 3.13Å; L196-R274 HydrophobicContact CD1-CB 4.35Å; L196-R274 HydrophobicContact CD1-CG 4.26Å; L225-R274 HydrophobicContact CD2-CB 4.47Å; L225-R274 HydrophobicContact CD2-CG 4.28Å; W270-R274 PolarHBondContact O-N 3.48Å; T271-R274 WeakPolarHBondContact O-CB 3.36Å; T271-R274 PolarHBondContact O-N 3.48Å; R272-R274 PolarHBondContact O-N 3.04Å; R274-E277 WeakPolarHBondContact CD-OE2 3.41Å; R274-E277 IonicContact CZ-OE2 2.91Å; R274-E277 IonicContact NH1-OE2 3.24Å; R274-E277 PolarHBondContact NH1-OE2 2.94Å; R274-E277 PolarHBondContact O-N 3.14Å; R274-E278 WeakPolarHBondContact O-CG 3.4Å; R274-E278 PolarHBondContact O-N 3.44Å
275A97.9Very high97.5Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-66.9-38.2174.600000112.5A193 L196 I197 T271 R272 Q273 E278 A279 V306A193-A275 HydrophobicContact CB-CB 4.49Å; A193-A275 VanDerWaalsContact CB-O 3.28Å; A193-A275 WeakPolarHBondContact CB-O 3.32Å; L196-A275 HydrophobicContact CB-CB 3.77Å; L196-A275 HydrophobicContact CD1-CB 4.18Å; I197-A275 HydrophobicContact CD1-CB 3.74Å; I197-A275 HydrophobicContact CG1-CB 3.55Å; T271-A275 PolarHBondContact O-N 2.65Å; R272-A275 WeakPolarHBondContact O-CA 3.31Å; R272-A275 WeakPolarHBondContact O-CB 3.23Å; R272-A275 PolarHBondContact O-N 3.26Å; Q273-A275 VanDerWaalsContact C-N 3.34Å; Q273-A275 PolarHBondContact O-N 3.03Å; A275-E278 PolarHBondContact O-N 3.25Å; A275-A279 PolarHBondContact O-N 3.47Å; A275-V306 HydrophobicContact CB-CG1 4.01Å; A275-V306 WeakPolarHBondContact O-CG1 3.35Å
276E97.9Very high97.6Very high79 Ų7944.7 Ų44.737%0.36923%0.227SC..Hα-helixtrans-63.2-43.1174.6-70.7175.1176.600111.7R272 Q273 E278 A279 D280 V306R272-E276 WeakPolarHBondContact O-CG 3.23Å; R272-E276 PolarHBondContact O-N 3.46Å; Q273-E276 WeakPolarHBondContact O-CB 3.35Å; Q273-E276 PolarHBondContact O-N 3.33Å; E276-E278 VanDerWaalsContact C-N 3.29Å; E276-E278 PolarHBondContact O-N 2.95Å; E276-A279 PolarHBondContact O-N 3.02Å; E276-A279 VanDerWaalsContact O-N 3.15Å; E276-D280 PolarHBondContact O-N 2.86Å; E276-V306 HydrophobicContact CG-CB 4.19Å; E276-V306 HydrophobicContact CG-CG2 4.21Å
277E98.1Very high97.7Very high71 Ų7149 Ų4933%0.33224%0.238SC..Hα-helixtrans-57.1-41.8173.3-72.9174.6-175.700112Q273 R274 K281Q273-E277 WeakPolarHBondContact O-CG 3.35Å; Q273-E277 PolarHBondContact O-N 3.01Å; R274-E277 WeakPolarHBondContact CD-OE2 3.41Å; R274-E277 IonicContact CZ-OE2 2.91Å; R274-E277 IonicContact NH1-OE2 3.24Å; R274-E277 PolarHBondContact NH1-OE2 2.94Å; R274-E277 PolarHBondContact O-N 3.14Å; E277-K281 VanDerWaalsContact O-CG 3.31Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.03Å; E277-K281 VanDerWaalsContact O-N 3.1Å
278E98.5Very high97.7Very high15 Ų1552.5 Ų52.57%0.0726%0.26CS..Hα-helixtrans-68.9-40.7175.7-67-59.9132.600111.7Y189 T192 A193 L196 R274 A275 E276 D280 K281 A282Y189-E278 WeakPolarHBondContact CB-O 3.45Å; Y189-E278 WeakPolarHBondContact CD1-OE2 3.39Å; T192-E278 HydrophobicContact CG2-CG 3.94Å; A193-E278 HydrophobicContact CB-CB 3.84Å; L196-E278 HydrophobicContact CD1-CG 4.11Å; R274-E278 WeakPolarHBondContact O-CG 3.4Å; R274-E278 PolarHBondContact O-N 3.44Å; A275-E278 PolarHBondContact O-N 3.25Å; E276-E278 VanDerWaalsContact C-N 3.29Å; E276-E278 PolarHBondContact O-N 2.95Å; E278-D280 VanDerWaalsContact C-N 3.33Å; E278-D280 PolarHBondContact O-N 2.95Å; E278-K281 WeakPolarHBondContact O-CB 3.34Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 IonicContact OE1-NZ 2.97Å; E278-K281 PolarHBondContact OE1-NZ 3.03Å; E278-A282 PolarHBondContact O-N 2.95Å
279A98.4Very high97.8Very high1 Ų150.6 Ų50.61%0.00825%0.249CC..Hα-helixtrans-62.7-39.517500000112.2A193 A275 E276 A282 I283 V306A193-A279 HydrophobicContact CB-CB 4.26Å; A275-A279 PolarHBondContact O-N 3.47Å; E276-A279 PolarHBondContact O-N 3.02Å; E276-A279 VanDerWaalsContact O-N 3.15Å; A279-A282 WeakPolarHBondContact O-CB 3.48Å; A279-A282 PolarHBondContact O-N 2.78Å; A279-A282 VanDerWaalsContact O-N 3.16Å; A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 3.23Å; A279-V306 HydrophobicContact CB-CG1 3.7Å; A279-V306 HydrophobicContact CB-CG2 4.31Å
280D98.3Very high97.9Very high100 Ų10047.6 Ų47.654%0.53524%0.24SC..Hα-helixtrans-64.3-40.7175.5-76.8-13.9000111.8E276 E278 A282 I283 A284E276-D280 PolarHBondContact O-N 2.86Å; E278-D280 VanDerWaalsContact C-N 3.33Å; E278-D280 PolarHBondContact O-N 2.95Å; D280-A282 VanDerWaalsContact C-N 3.31Å; D280-A282 PolarHBondContact O-N 3.38Å; D280-I283 PolarHBondContact O-N 3.16Å; D280-A284 WeakPolarHBondContact O-CB 3.47Å; D280-A284 PolarHBondContact O-N 3.32Å
281K98.7Very high97.9Very high81 Ų8150 Ų5035%0.35226%0.259SS..Hα-helixtrans-60.5-41171.4-69.5170-165.2169.90111.5Y189 E277 E278 A284 A285Y189-K281 HydrophobicContact CD1-CB 4.13Å; Y189-K281 HydrophobicContact CD1-CD 4.12Å; Y189-K281 HydrophobicContact CD2-CB 3.58Å; Y189-K281 HydrophobicContact CE1-CB 4.39Å; Y189-K281 HydrophobicContact CE1-CD 3.96Å; Y189-K281 HydrophobicContact CE2-CB 3.9Å; Y189-K281 HydrophobicContact CG-CB 3.71Å; E277-K281 VanDerWaalsContact O-CG 3.31Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.03Å; E277-K281 VanDerWaalsContact O-N 3.1Å; E278-K281 WeakPolarHBondContact O-CB 3.34Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 IonicContact OE1-NZ 2.97Å; E278-K281 PolarHBondContact OE1-NZ 3.03Å; K281-A284 PolarHBondContact O-N 3.27Å; K281-A285 PolarHBondContact O-N 3.46Å
282A98.7Very high97.8Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-61.1-47176.100000111.3Y186 L190 E278 A279 D280 A284 A285 L286Y186-A282 HydrophobicContact CD2-CB 3.88Å; Y186-A282 WeakPolarHBondContact CD2-O 3.39Å; Y186-A282 HydrophobicContact CE2-CB 4.34Å; L190-A282 HydrophobicContact CB-CB 4.22Å; E278-A282 PolarHBondContact O-N 2.95Å; A279-A282 WeakPolarHBondContact O-CB 3.48Å; A279-A282 PolarHBondContact O-N 2.78Å; A279-A282 VanDerWaalsContact O-N 3.16Å; D280-A282 VanDerWaalsContact C-N 3.31Å; D280-A282 PolarHBondContact O-N 3.38Å; A282-A284 PolarHBondContact O-N 3.31Å; A282-A285 WeakPolarHBondContact O-CB 3.26Å; A282-A285 PolarHBondContact O-N 3.22Å; A282-L286 PolarHBondContact O-N 3.29Å
283I98.5Very high97.9Very high26 Ų2654.3 Ų54.313%0.13329%0.292CS..Hα-helixtrans-62.5-42.7178.4-68.2164.9000111A279 D280 A285 L286 I299 A302 H303A279-I283 WeakPolarHBondContact O-CG1 3.48Å; A279-I283 PolarHBondContact O-N 3.23Å; D280-I283 PolarHBondContact O-N 3.16Å; I283-A285 VanDerWaalsContact C-N 3.29Å; I283-A285 PolarHBondContact O-N 2.95Å; I283-L286 WeakPolarHBondContact O-CB 3.28Å; I283-L286 PolarHBondContact O-N 3.23Å; I283-I299 HydrophobicContact CD1-CG2 4.23Å; I283-I299 HydrophobicContact CG1-CG2 4.17Å; I283-I299 HydrophobicContact CG2-CG1 4.22Å; I283-I299 HydrophobicContact CG2-CG2 4.24Å; I283-A302 HydrophobicContact CD1-CB 4.1Å; I283-A302 HydrophobicContact CG1-CB 3.79Å; I283-H303 WeakPolarHBondContact CD1-CE1 3.45Å
284A98.6Very high97.9Very high61 Ų6155.1 Ų55.150%0.50429%0.291SS..Hα-helixtrans-62.2-36.5176.700000112.3D280 K281 A282 L286 Q287D280-A284 WeakPolarHBondContact O-CB 3.47Å; D280-A284 PolarHBondContact O-N 3.32Å; K281-A284 PolarHBondContact O-N 3.27Å; A282-A284 PolarHBondContact O-N 3.31Å; A284-L286 PolarHBondContact O-N 3.17Å; A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 VanDerWaalsContact O-CG 3.28Å; A284-Q287 WeakPolarHBondContact O-CG 3.47Å; A284-Q287 PolarHBondContact O-N 3.21Å
285A98.6Very high97.9Very high17 Ų1753 Ų5314%0.1428%0.283CS..Hα-helixtrans-64-22.1177.400000113.4G182 D185 K281 A282 I283 Q287 V288G182-A285 WeakPolarHBondContact CA-O 3.48Å; D185-A285 HydrophobicContact CB-CB 3.8Å; K281-A285 PolarHBondContact O-N 3.46Å; A282-A285 WeakPolarHBondContact O-CB 3.26Å; A282-A285 PolarHBondContact O-N 3.22Å; I283-A285 VanDerWaalsContact C-N 3.29Å; I283-A285 PolarHBondContact O-N 2.95Å; A285-Q287 VanDerWaalsContact C-N 3.32Å; A285-Q287 PolarHBondContact O-N 3.14Å; A285-V288 WeakPolarHBondContact O-CG2 3.28Å
286L98.5Very high97.9Very high0 Ų057.4 Ų57.40%030%0.304CS..G310 helixtrans-79.2-8.4178.5-63.6174.2000114.1Y186 A282 I283 A284 V288 L289 R295 L298 I299Y186-L286 HydrophobicContact CD1-CD2 4.34Å; Y186-L286 HydrophobicContact CD2-CD1 3.62Å; Y186-L286 HydrophobicContact CD2-CD2 3.63Å; Y186-L286 HydrophobicContact CD2-CG 3.57Å; Y186-L286 HydrophobicContact CE2-CD1 3.65Å; Y186-L286 HydrophobicContact CE2-CD2 4.24Å; Y186-L286 HydrophobicContact CE2-CG 4.14Å; Y186-L286 HydrophobicContact CG-CD1 4.49Å; Y186-L286 HydrophobicContact CG-CD2 3.67Å; Y186-L286 HydrophobicContact CG-CG 4.11Å; A282-L286 PolarHBondContact O-N 3.29Å; I283-L286 WeakPolarHBondContact O-CB 3.28Å; I283-L286 PolarHBondContact O-N 3.23Å; A284-L286 PolarHBondContact O-N 3.17Å; L286-V288 PolarHBondContact O-N 3.45Å; L286-V288 VanDerWaalsContact O-N 3.16Å; L286-L289 HydrophobicContact CD2-CD1 3.63Å; L286-L289 HydrophobicContact CD2-CG 4.49Å; L286-L289 WeakPolarHBondContact O-CB 3.24Å; L286-L289 PolarHBondContact O-N 2.83Å; L286-R295 HydrophobicContact CB-CG 4.18Å; L286-R295 WeakPolarHBondContact O-CD 3.44Å; L286-L298 HydrophobicContact CD1-CB 3.63Å; L286-L298 HydrophobicContact CD2-CB 4.37Å; L286-L298 HydrophobicContact CD2-CD1 3.92Å; L286-I299 HydrophobicContact CD1-CG1 3.71Å
287Q97.6Very high98Very high122 Ų12255.5 Ų55.557%0.5730%0.301SS*.G310 helixtrans-63.4-22.1-176.5-66.6-60-41.400113.7A284 A285 L289A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 VanDerWaalsContact O-CG 3.28Å; A284-Q287 WeakPolarHBondContact O-CG 3.47Å; A284-Q287 PolarHBondContact O-N 3.21Å; A285-Q287 VanDerWaalsContact C-N 3.32Å; A285-Q287 PolarHBondContact O-N 3.14Å; Q287-L289 VanDerWaalsContact C-N 3.27Å
288V97.8Very high98Very high75 Ų7552.1 Ų52.146%0.45529%0.285SS..G310 helixtrans-74-17.2174.4-61.30000113A285 L286A285-V288 WeakPolarHBondContact O-CG2 3.28Å; L286-V288 PolarHBondContact O-N 3.45Å; L286-V288 VanDerWaalsContact O-N 3.16Å
289L97.9Very high97.9Very high5 Ų552.4 Ų52.43%0.02629%0.287CS..SBendtrans-85.3151.3-179.7-53.8-173.6000111.6A45 V46 E179 L183 L286 Q287 R295 L298A45-L289 HydrophobicContact CB-CD1 4.12Å; V46-L289 HydrophobicContact CG1-CD2 3.82Å; E179-L289 HydrophobicContact CB-CD2 3.74Å; E179-L289 HydrophobicContact CG-CD2 3.88Å; L183-L289 HydrophobicContact CD2-CD1 3.71Å; L183-L289 HydrophobicContact CG-CD1 4.23Å; L183-L289 HydrophobicContact CG-CD2 4.24Å; L286-L289 HydrophobicContact CD2-CD1 3.63Å; L286-L289 HydrophobicContact CD2-CG 4.49Å; L286-L289 WeakPolarHBondContact O-CB 3.24Å; L286-L289 PolarHBondContact O-N 2.83Å; Q287-L289 VanDerWaalsContact C-N 3.27Å; L289-R295 HydrophobicContact CB-CG 4.49Å; L289-R295 PolarHBondContact O-NH1 3.4Å; L289-L298 HydrophobicContact CD1-CD1 4.43Å
290P96.3Very high97.9Very high58 Ų5853.6 Ų53.638%0.37730%0.3SS..  trans-54.1142.2173.5-26.535.3000113.1T292 R295P290-T292 HydrophobicContact CB-CG2 3.95Å; P290-T292 PolarHBondContact O-N 3.41Å; P290-T292 PolarHBondContact O-OG1 3.11Å; P290-R295 WeakPolarHBondContact O-CD 3.32Å
291D96.3Very high97.8Very high120 Ų12049.7 Ų49.764%0.64228%0.279SS*.  trans-69.996.2174.6-1686.5000110.8R295D291-R295 VanDerWaalsContact CA-CZ 3.4Å; D291-R295 VanDerWaalsContact CB-NH2 3.29Å; D291-R295 IonicContact OD1-CZ 2.99Å; D291-R295 IonicContact OD1-NE 3.66Å; D291-R295 IonicContact OD1-NH2 3.24Å; D291-R295 PolarHBondContact OD1-NH2 3.3Å; D291-R295 IonicContact OD2-NH2 3.92Å; D291-R295 PolarHBondContact OD2-NH2 3.43Å
292T96.4Very high97.7Very high32 Ų3245.8 Ų45.820%0.19626%0.262CS..  trans-134.9156.7-174.362.60000110.2P290 W294 R295 E296P290-T292 HydrophobicContact CB-CG2 3.95Å; P290-T292 PolarHBondContact O-N 3.41Å; P290-T292 PolarHBondContact O-OG1 3.11Å; T292-W294 PolarHBondContact O-N 3.03Å; T292-R295 WeakPolarHBondContact O-CB 3.43Å; T292-R295 PolarHBondContact O-N 3.5Å; T292-R295 PolarHBondContact OG1-N 3.34Å; T292-E296 PolarHBondContact O-N 2.82Å; T292-E296 VanDerWaalsContact O-N 3.1Å
293P97.8Very high97.5Very high107 Ų10749.4 Ų49.470%0.69528%0.279SS*.Hα-helixtrans-54.9-24.4171.9-26.935.5000113.8A297P293-A297 WeakPolarHBondContact O-CB 3.06Å; P293-A297 PolarHBondContact O-N 3.23Å
294W97.8Very high97.2Very high116 Ų11653.1 Ų53.144%0.43930%0.298SS..Hα-helixtrans-75.8-39177.3-49.4115.5000112.3L41 R44 A45 T292 A297 L298L41-W294 HydrophobicContact CD2-CE3 3.71Å; L41-W294 HydrophobicContact CD2-CZ3 4.29Å; R44-W294 HydrophobicContact CB-CB 4.1Å; R44-W294 HydrophobicContact CB-CD2 3.54Å; R44-W294 HydrophobicContact CB-CE3 4.12Å; R44-W294 HydrophobicContact CB-CG 3.5Å; R44-W294 HydrophobicContact CB-CZ2 4.45Å; R44-W294 HydrophobicContact CG-CD2 4.27Å; R44-W294 HydrophobicContact CG-CZ2 4.48Å; R44-W294 VanDerWaalsContact O-CD1 3.26Å; A45-W294 HydrophobicContact CB-CB 3.93Å; T292-W294 PolarHBondContact O-N 3.03Å; W294-A297 PolarHBondContact O-N 3.01Å; W294-L298 WeakPolarHBondContact O-CG 3.47Å; W294-L298 PolarHBondContact O-N 3.33Å
295R98.1Very high96.8Very high26 Ų2650.4 Ų50.410%0.09828%0.276CS..Hα-helixtrans-61.9-46.4170.9-172.1-175.972.3174.57.6110.6L286 L289 P290 D291 T292 A297 L298 I299L286-R295 HydrophobicContact CB-CG 4.18Å; L286-R295 WeakPolarHBondContact O-CD 3.44Å; L289-R295 HydrophobicContact CB-CG 4.49Å; L289-R295 PolarHBondContact O-NH1 3.4Å; P290-R295 WeakPolarHBondContact O-CD 3.32Å; D291-R295 VanDerWaalsContact CA-CZ 3.4Å; D291-R295 VanDerWaalsContact CB-NH2 3.29Å; D291-R295 IonicContact OD1-CZ 2.99Å; D291-R295 IonicContact OD1-NE 3.66Å; D291-R295 IonicContact OD1-NH2 3.24Å; D291-R295 PolarHBondContact OD1-NH2 3.3Å; D291-R295 IonicContact OD2-NH2 3.92Å; D291-R295 PolarHBondContact OD2-NH2 3.43Å; T292-R295 WeakPolarHBondContact O-CB 3.43Å; T292-R295 PolarHBondContact O-N 3.5Å; T292-R295 PolarHBondContact OG1-N 3.34Å; R295-A297 VanDerWaalsContact C-N 3.27Å; R295-A297 PolarHBondContact O-N 3.47Å; R295-L298 WeakPolarHBondContact O-CB 3.38Å; R295-L298 PolarHBondContact O-N 3.04Å; R295-I299 HydrophobicContact CG-CD1 4.5Å; R295-I299 WeakPolarHBondContact O-CG1 3.25Å; R295-I299 PolarHBondContact O-N 2.93Å
296E98.1Very high96.5Very high94 Ų9450 Ų5044%0.43927%0.271SS..Hα-helixtrans-59.7-37.6175.5-67.7-55.6120.800112.3T292 I299 G300T292-E296 PolarHBondContact O-N 2.82Å; T292-E296 VanDerWaalsContact O-N 3.1Å; E296-I299 PolarHBondContact O-N 3.44Å; E296-G300 PolarHBondContact O-N 3.34Å
297A97.9Very high95.9Very high38 Ų3856.3 Ų56.331%0.31430%0.301SS..Hα-helixtrans-66.1-36173.800000113L41 P293 W294 R295 G300 L301L41-A297 HydrophobicContact CD1-CB 4.05Å; L41-A297 HydrophobicContact CD2-CB 3.81Å; P293-A297 WeakPolarHBondContact O-CB 3.06Å; P293-A297 PolarHBondContact O-N 3.23Å; W294-A297 PolarHBondContact O-N 3.01Å; R295-A297 VanDerWaalsContact C-N 3.27Å; R295-A297 PolarHBondContact O-N 3.47Å; A297-G300 PolarHBondContact O-N 2.98Å; A297-L301 WeakPolarHBondContact O-CB 3.24Å; A297-L301 PolarHBondContact O-N 3.32Å
298L98.3Very high94.9Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-65.7-39.5173.2-70168.6000111.6L41 A45 Y186 L286 L289 W294 R295 L301 A302L41-L298 HydrophobicContact CB-CD2 3.48Å; L41-L298 VanDerWaalsContact CB-CD2 3.48Å; L41-L298 HydrophobicContact CB-CG 3.83Å; L41-L298 HydrophobicContact CD1-CD2 4.08Å; L41-L298 HydrophobicContact CD1-CG 4.48Å; L41-L298 HydrophobicContact CG-CD2 4.45Å; A45-L298 HydrophobicContact CB-CD1 4.01Å; Y186-L298 HydrophobicContact CE1-CB 4.47Å; Y186-L298 HydrophobicContact CE1-CD2 3.66Å; Y186-L298 HydrophobicContact CE2-CB 4.1Å; Y186-L298 WeakPolarHBondContact OH-CA 3.42Å; Y186-L298 WeakPolarHBondContact OH-CD2 3.47Å; Y186-L298 PolarHBondContact OH-O 3.42Å; L286-L298 HydrophobicContact CD1-CB 3.63Å; L286-L298 HydrophobicContact CD2-CB 4.37Å; L286-L298 HydrophobicContact CD2-CD1 3.92Å; L289-L298 HydrophobicContact CD1-CD1 4.43Å; W294-L298 WeakPolarHBondContact O-CG 3.47Å; W294-L298 PolarHBondContact O-N 3.33Å; R295-L298 WeakPolarHBondContact O-CB 3.38Å; R295-L298 PolarHBondContact O-N 3.04Å; L298-L301 PolarHBondContact O-N 3.02Å; L298-A302 PolarHBondContact O-N 2.87Å; L298-A302 VanDerWaalsContact O-N 3.14Å
299I98.1Very high93.2Very high21 Ų2153.1 Ų53.111%0.10828%0.284CS..Hα-helixtrans-62-49.1173.2-65.7172000110I283 L286 R295 E296 L301 A302 H303I283-I299 HydrophobicContact CD1-CG2 4.23Å; I283-I299 HydrophobicContact CG1-CG2 4.17Å; I283-I299 HydrophobicContact CG2-CG1 4.22Å; I283-I299 HydrophobicContact CG2-CG2 4.24Å; L286-I299 HydrophobicContact CD1-CG1 3.71Å; R295-I299 HydrophobicContact CG-CD1 4.5Å; R295-I299 WeakPolarHBondContact O-CG1 3.25Å; R295-I299 PolarHBondContact O-N 2.93Å; E296-I299 PolarHBondContact O-N 3.44Å; I299-L301 PolarHBondContact O-N 3.31Å; I299-A302 WeakPolarHBondContact O-CB 3.37Å; I299-A302 PolarHBondContact O-N 3.32Å; I299-H303 PolarHBondContact O-CD2 2.99Å; I299-H303 PolarHBondContact O-N 3Å; I299-H303 VanDerWaalsContact O-N 3.12Å
300G97Very high91Very high27 Ų2761.9 Ų61.928%0.27832%0.316SS..Hα-helixtrans-57.7-37.817600000112.8E296 A297 A302 H303 I304E296-G300 PolarHBondContact O-N 3.34Å; A297-G300 PolarHBondContact O-N 2.98Å; G300-A302 VanDerWaalsContact C-N 3.34Å; G300-A302 PolarHBondContact O-N 3.16Å; G300-H303 PolarHBondContact O-N 3.28Å; G300-I304 WeakPolarHBondContact O-CB 3.46Å; G300-I304 VanDerWaalsContact O-CG1 3.25Å; G300-I304 WeakPolarHBondContact O-CG1 3.4Å; G300-I304 PolarHBondContact O-N 2.96Å
301L96.1Very high90.7Very high17 Ų1762.1 Ų62.19%0.08931%0.313CS..Hα-helixtrans-65.3-36.1176-170.763.6000112.5I34 M37 I38 L190 A297 L298 I299 I304 A305I34-L301 HydrophobicContact CG2-CD1 4.29Å; I34-L301 HydrophobicContact CG2-CD2 4.25Å; M37-L301 HydrophobicContact CE-CD1 4.24Å; I38-L301 HydrophobicContact CD1-CD2 4.16Å; I38-L301 HydrophobicContact CG1-CD2 3.43Å; I38-L301 VanDerWaalsContact CG1-CD2 3.43Å; L190-L301 HydrophobicContact CD2-CD2 4.26Å; L190-L301 HydrophobicContact CD2-CG 4.39Å; A297-L301 WeakPolarHBondContact O-CB 3.24Å; A297-L301 PolarHBondContact O-N 3.32Å; L298-L301 PolarHBondContact O-N 3.02Å; I299-L301 PolarHBondContact O-N 3.31Å; L301-I304 PolarHBondContact O-N 3.28Å; L301-A305 WeakPolarHBondContact O-CB 3.49Å; L301-A305 PolarHBondContact O-N 3.48Å
302A96.6Very high90.4Very high0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-65.8-44.4175.200000112.1Y186 L190 I283 L298 I299 G300 I304 A305Y186-A302 HydrophobicContact CE2-CB 4.47Å; L190-A302 HydrophobicContact CD1-CB 4.11Å; I283-A302 HydrophobicContact CD1-CB 4.1Å; I283-A302 HydrophobicContact CG1-CB 3.79Å; L298-A302 PolarHBondContact O-N 2.87Å; L298-A302 VanDerWaalsContact O-N 3.14Å; I299-A302 WeakPolarHBondContact O-CB 3.37Å; I299-A302 PolarHBondContact O-N 3.32Å; G300-A302 VanDerWaalsContact C-N 3.34Å; G300-A302 PolarHBondContact O-N 3.16Å; A302-I304 PolarHBondContact O-N 2.97Å; A302-A305 WeakPolarHBondContact O-CB 3.47Å; A302-A305 PolarHBondContact O-N 3.49Å
303H95.2Very high90.1Very high76 Ų7660.5 Ų60.535%0.35230%0.302SS..Hα-helixtrans-61.4-44.3173.1-68.8-51.9000112.4I283 I299 G300 A305 V306 Q307I283-H303 WeakPolarHBondContact CD1-CE1 3.45Å; I299-H303 PolarHBondContact O-CD2 2.99Å; I299-H303 PolarHBondContact O-N 3Å; I299-H303 VanDerWaalsContact O-N 3.12Å; G300-H303 PolarHBondContact O-N 3.28Å; H303-A305 PolarHBondContact O-N 2.82Å; H303-V306 VanDerWaalsContact O-CG2 3.3Å; H303-V306 WeakPolarHBondContact O-CG2 3.42Å; H303-V306 PolarHBondContact O-N 3.07Å; H303-Q307 WeakPolarHBondContact O-CB 3.42Å; H303-Q307 WeakPolarHBondContact O-CG 3.34Å; H303-Q307 PolarHBondContact O-N 3.01Å; H303-Q307 VanDerWaalsContact O-N 3.07Å
304I92.7Very high89.6Confident103 Ų10357.8 Ų57.853%0.52828%0.279SS..Hα-helixtrans-62.3-31.5177.7-70.8166.2000111.2G300 L301 A302 V306 R308G300-I304 WeakPolarHBondContact O-CB 3.46Å; G300-I304 VanDerWaalsContact O-CG1 3.25Å; G300-I304 WeakPolarHBondContact O-CG1 3.4Å; G300-I304 PolarHBondContact O-N 2.96Å; L301-I304 PolarHBondContact O-N 3.28Å; A302-I304 PolarHBondContact O-N 2.97Å; I304-V306 VanDerWaalsContact C-N 3.29Å; I304-V306 PolarHBondContact O-N 3.41Å; I304-R308 WeakPolarHBondContact O-CG 3.38Å
305A90.4Very high89.1Confident5 Ų554.1 Ų54.14%0.04127%0.269CS..Hα-helixtrans-66.2-29.2-179.700000113.3L190 F194 L301 A302 H303 R308L190-A305 HydrophobicContact CD1-CB 3.53Å; F194-A305 HydrophobicContact CD2-CB 4.37Å; L301-A305 WeakPolarHBondContact O-CB 3.49Å; L301-A305 PolarHBondContact O-N 3.48Å; A302-A305 WeakPolarHBondContact O-CB 3.47Å; A302-A305 PolarHBondContact O-N 3.49Å; H303-A305 PolarHBondContact O-N 2.82Å; A305-R308 PolarHBondContact O-NE 3.31Å
306V91Very high88.5Confident8 Ų856 Ų565%0.04828%0.28CS..Hα-helixtrans-97.3-25179.3-63.90000114.2A193 I197 R272 A275 E276 A279 H303 I304 R308A193-V306 HydrophobicContact CB-CG1 4.09Å; I197-V306 HydrophobicContact CD1-CB 4.38Å; I197-V306 HydrophobicContact CG1-CB 4.46Å; I197-V306 HydrophobicContact CG1-CG1 4.28Å; R272-V306 PolarHBondContact NH1-O 3.24Å; A275-V306 HydrophobicContact CB-CG1 4.01Å; A275-V306 WeakPolarHBondContact O-CG1 3.35Å; E276-V306 HydrophobicContact CG-CB 4.19Å; E276-V306 HydrophobicContact CG-CG2 4.21Å; A279-V306 HydrophobicContact CB-CG1 3.7Å; A279-V306 HydrophobicContact CB-CG2 4.31Å; H303-V306 VanDerWaalsContact O-CG2 3.3Å; H303-V306 WeakPolarHBondContact O-CG2 3.42Å; H303-V306 PolarHBondContact O-N 3.07Å; I304-V306 VanDerWaalsContact C-N 3.29Å; I304-V306 PolarHBondContact O-N 3.41Å; V306-R308 PolarHBondContact O-N 3.02Å
307Q87.3Confident87.8Confident133 Ų13353.3 Ų53.362%0.62127%0.269SS*.SBendtrans-8523176.7-65.8176.6-700113.5H303H303-Q307 WeakPolarHBondContact O-CB 3.42Å; H303-Q307 WeakPolarHBondContact O-CG 3.34Å; H303-Q307 PolarHBondContact O-N 3.01Å; H303-Q307 VanDerWaalsContact O-N 3.07Å
308R75.7Confident87.1Confident15 Ų1554.5 Ų54.56%0.05727%0.265CS..  trans-84.1124.7-177.1-57.9-175.5-71.6146-6110F194 I197 D198 L201 I304 A305 V306F194-R308 VanDerWaalsContact CD2-CZ 3.44Å; F194-R308 VanDerWaalsContact CD2-NH2 3.34Å; F194-R308 PolarHBondContact O-NH2 3.1Å; I197-R308 HydrophobicContact CG2-CB 4.1Å; D198-R308 IonicContact OD1-CZ 3.06Å; D198-R308 IonicContact OD1-NH1 2.64Å; D198-R308 PolarHBondContact OD1-NH1 3.02Å; D198-R308 IonicContact OD1-NH2 3.88Å; D198-R308 PolarHBondContact OD1-NH2 2.74Å; L201-R308 HydrophobicContact CD1-CB 4.26Å; I304-R308 WeakPolarHBondContact O-CG 3.38Å; A305-R308 PolarHBondContact O-NE 3.31Å; V306-R308 PolarHBondContact O-N 3.02Å
309D62.4Low86.1Confident114 Ų11459 Ų5961%0.6129%0.287SS*.  trans-97.9-0.7168.4-55.4-35.2000112.3
310R51Low85Confident189 Ų18962.5 Ų62.571%0.71330%0.303SS*.  trans-159.40-174.559.1-178.2178.6177-2.2115.3K32 L210 K212K32-R310 PolarHBondContact NZ-O 3.33Å; L210-R310 HydrophobicContact CD1-CB 3.95Å; L210-R310 HydrophobicContact CD2-CB 4.15Å; K212-R310 PolarHBondContact NZ-OXT 2.66Å

Retrieved 310 of 310 residues in 243.3 ms (Link to these results)

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