A0A077YXE9_TRITR Loading...

Putative tetraspanin family integral membrane pro tein

AlphaFold DB , UniProt , Accession A0A077YXE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 305 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
1M49.8Very low62.1Low212 Ų21293.9 Ų93.9100%1.04450%0.496SS*.  0-35.80-69.6-150.1-114.400113.9F3 W4M1-F3 PolarHBondContact O-N 3.47Å; M1-F3 VanDerWaalsContact O-N 3.07Å; M1-W4 PolarHBondContact O-N 2.87Å; M1-W4 VanDerWaalsContact O-N 3.16Å
2A56.4Low63.1Low78 Ų7893 Ų9365%0.64550%0.496SS*.Hα-helixtrans-52.8-31.1-178.500000115.9S5 T6A2-S5 PolarHBondContact O-N 3.19Å; A2-T6 PolarHBondContact O-N 3.23Å; A2-T6 PolarHBondContact O-OG1 3.19Å
3F54Low63.8Low61 Ų6192.8 Ų92.827%0.26849%0.494SS..Hα-helixtrans-60.6-46.5177.3-178.1-99.3000113.7M1 S5 T6 F7 K57M1-F3 PolarHBondContact O-N 3.47Å; M1-F3 VanDerWaalsContact O-N 3.07Å; F3-S5 VanDerWaalsContact C-N 3.32Å; F3-S5 PolarHBondContact O-N 3.33Å; F3-T6 WeakPolarHBondContact CA-OG1 3.33Å; F3-T6 PolarHBondContact O-N 3.38Å; F3-T6 PolarHBondContact O-OG1 3.47Å; F3-F7 WeakPolarHBondContact O-CB 3.4Å; F3-F7 PolarHBondContact O-N 3.44Å; F3-K57 HydrophobicContact CD2-CD 4.42Å; F3-K57 HydrophobicContact CE2-CD 4.33Å
4W58.8Low63.8Low163 Ų16386.9 Ų86.962%0.61747%0.467SS*.Hα-helixtrans-69.5-35.2-178.9-73111.7000111.2M1 F7 M8M1-W4 PolarHBondContact O-N 2.87Å; M1-W4 VanDerWaalsContact O-N 3.16Å; W4-F7 HydrophobicContact CE3-CD1 4.28Å; W4-F7 HydrophobicContact CZ3-CD1 4.38Å; W4-M8 WeakPolarHBondContact O-CB 3.22Å; W4-M8 WeakPolarHBondContact O-CG 3.46Å; W4-M8 PolarHBondContact O-N 2.95Å
5S63.8Low64Low80 Ų8086.3 Ų86.356%0.55947%0.467SS*.Hα-helixtrans-64-46.5175.1174.10000112A2 F3 M8 L9A2-S5 PolarHBondContact O-N 3.19Å; F3-S5 VanDerWaalsContact C-N 3.32Å; F3-S5 PolarHBondContact O-N 3.33Å; S5-M8 PolarHBondContact O-N 3.03Å; S5-L9 VanDerWaalsContact O-CB 3.26Å; S5-L9 WeakPolarHBondContact O-CB 3.3Å; S5-L9 PolarHBondContact O-N 2.8Å
6T60.2Low64.3Low77 Ų7787.2 Ų87.247%0.47247%0.471SS..Hα-helixtrans-66.7-41.6177.642.60000112.2A2 F3 L9 V10A2-T6 PolarHBondContact O-N 3.23Å; A2-T6 PolarHBondContact O-OG1 3.19Å; F3-T6 WeakPolarHBondContact CA-OG1 3.33Å; F3-T6 PolarHBondContact O-N 3.38Å; F3-T6 PolarHBondContact O-OG1 3.47Å; T6-L9 PolarHBondContact O-N 3.43Å; T6-V10 WeakPolarHBondContact O-CG2 3.43Å; T6-V10 PolarHBondContact O-N 3.27Å
7F61.1Low64.3Low58 Ų5884.9 Ų84.925%0.25446%0.461SS..Hα-helixtrans-60.4-48.2174.1176.8-104.1000112.3F3 W4 L9 V10 L11 V50F3-F7 WeakPolarHBondContact O-CB 3.4Å; F3-F7 PolarHBondContact O-N 3.44Å; W4-F7 HydrophobicContact CE3-CD1 4.28Å; W4-F7 HydrophobicContact CZ3-CD1 4.38Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 2.83Å; F7-V10 PolarHBondContact O-N 3Å; F7-L11 HydrophobicContact CD1-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.4Å; F7-L11 HydrophobicContact CE1-CG 4.19Å; F7-L11 HydrophobicContact CE2-CD1 4.43Å; F7-L11 HydrophobicContact CE2-CG 4.45Å; F7-L11 HydrophobicContact CZ-CD1 3.64Å; F7-L11 HydrophobicContact CZ-CD2 4.4Å; F7-L11 HydrophobicContact CZ-CG 4.12Å; F7-L11 PolarHBondContact O-N 2.97Å; F7-V50 HydrophobicContact CD2-CG2 4.43Å; F7-V50 HydrophobicContact CE2-CG2 3.88Å
8M70.6Confident64.2Low102 Ų10284.3 Ų84.350%0.50245%0.451SS..Hα-helixtrans-63.3-39.1177.3-70.6-62176.400111.5W4 S5 V10 L11 V12W4-M8 WeakPolarHBondContact O-CB 3.22Å; W4-M8 WeakPolarHBondContact O-CG 3.46Å; W4-M8 PolarHBondContact O-N 2.95Å; S5-M8 PolarHBondContact O-N 3.03Å; M8-V10 PolarHBondContact O-N 3.39Å; M8-L11 PolarHBondContact O-N 3.03Å; M8-L11 HydrophobicContact SD-CD1 4.26Å; M8-V12 VanDerWaalsContact O-CG2 3.27Å; M8-V12 WeakPolarHBondContact O-CG2 3.08Å; M8-V12 PolarHBondContact O-N 2.82Å
9L72Confident64.4Low98 Ų9885.9 Ų85.951%0.51346%0.456SS..Hα-helixtrans-62.9-41.8176-177136.9000111.9S5 T6 F7 L11 V12 I13S5-L9 VanDerWaalsContact O-CB 3.26Å; S5-L9 WeakPolarHBondContact O-CB 3.3Å; S5-L9 PolarHBondContact O-N 2.8Å; T6-L9 PolarHBondContact O-N 3.43Å; F7-L9 VanDerWaalsContact C-N 3.31Å; F7-L9 PolarHBondContact O-N 2.83Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 3.25Å; L9-V12 PolarHBondContact O-N 3.34Å; L9-I13 HydrophobicContact CD2-CD1 3.48Å; L9-I13 VanDerWaalsContact CD2-CD1 3.48Å; L9-I13 HydrophobicContact CD2-CG1 4.49Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CB 3.15Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 2.9Å
10V68.4Low64.5Low40 Ų4086.6 Ų86.624%0.24246%0.459CS..Hα-helixtrans-63.1-40.4174.11710000111.4T6 F7 M8 G14 V46T6-V10 WeakPolarHBondContact O-CG2 3.43Å; T6-V10 PolarHBondContact O-N 3.27Å; F7-V10 PolarHBondContact O-N 3Å; M8-V10 PolarHBondContact O-N 3.39Å; V10-G14 PolarHBondContact O-N 3.5Å; V10-V46 HydrophobicContact CG1-CG2 4.08Å
11L68.6Low64.3Low64 Ų6482.7 Ų82.734%0.33544%0.439SS..Hα-helixtrans-65.4-42.6175-71.2-179.6000112.3F7 M8 L9 G14 T15 V46F7-L11 HydrophobicContact CD1-CD1 4.02Å; F7-L11 HydrophobicContact CE1-CD1 3.4Å; F7-L11 HydrophobicContact CE1-CG 4.19Å; F7-L11 HydrophobicContact CE2-CD1 4.43Å; F7-L11 HydrophobicContact CE2-CG 4.45Å; F7-L11 HydrophobicContact CZ-CD1 3.64Å; F7-L11 HydrophobicContact CZ-CD2 4.4Å; F7-L11 HydrophobicContact CZ-CG 4.12Å; F7-L11 PolarHBondContact O-N 2.97Å; M8-L11 PolarHBondContact O-N 3.03Å; M8-L11 HydrophobicContact SD-CD1 4.26Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 3.25Å; L11-G14 PolarHBondContact O-N 3.47Å; L11-T15 WeakPolarHBondContact O-CB 3.11Å; L11-T15 WeakPolarHBondContact O-CG2 3.2Å; L11-T15 PolarHBondContact O-N 3.31Å; L11-T15 PolarHBondContact O-OG1 3.29Å; L11-V46 HydrophobicContact CD2-CG1 4.36Å
12V73Confident64.8Low83 Ų8374.6 Ų74.650%0.50340%0.4SS..Hα-helixtrans-64.5-47.1178.2170.50000110.4M8 L9 T15 L16M8-V12 VanDerWaalsContact O-CG2 3.27Å; M8-V12 WeakPolarHBondContact O-CG2 3.08Å; M8-V12 PolarHBondContact O-N 2.82Å; L9-V12 PolarHBondContact O-N 3.34Å; V12-T15 WeakPolarHBondContact CA-OG1 3.19Å; V12-T15 PolarHBondContact O-N 3.22Å; V12-T15 PolarHBondContact O-OG1 2.87Å; V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 2.91Å; V12-L16 PolarHBondContact O-N 3.16Å
13I72.4Confident65.3Low90 Ų9076.5 Ų76.546%0.46240%0.399SS..Hα-helixtrans-64.6-44.4177.4-66.4172.5000110.5L9 T15 L16 V17L9-I13 HydrophobicContact CD2-CD1 3.48Å; L9-I13 VanDerWaalsContact CD2-CD1 3.48Å; L9-I13 HydrophobicContact CD2-CG1 4.49Å; L9-I13 HydrophobicContact CG-CD1 3.95Å; L9-I13 WeakPolarHBondContact O-CB 3.15Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 2.9Å; I13-T15 VanDerWaalsContact C-N 3.35Å; I13-T15 PolarHBondContact O-N 3.14Å; I13-L16 PolarHBondContact O-N 3.03Å; I13-V17 HydrophobicContact CG2-CG2 4.39Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.38Å; I13-V17 PolarHBondContact O-N 3.28Å
14G64.6Low65.6Low11 Ų1180 Ų8011%0.11342%0.415CS..Hα-helixtrans-61.7-40.2178.400000113V10 L11 Y18V10-G14 PolarHBondContact O-N 3.5Å; L11-G14 PolarHBondContact O-N 3.47Å; G14-Y18 WeakPolarHBondContact O-CB 3.3Å; G14-Y18 PolarHBondContact O-N 2.81Å
15T66.3Low65.5Low78 Ų7873.6 Ų73.648%0.47939%0.394SS..Hα-helixtrans-70.5-38175.150.10000112.2L11 V12 I13 Y18 Q19L11-T15 WeakPolarHBondContact O-CB 3.11Å; L11-T15 WeakPolarHBondContact O-CG2 3.2Å; L11-T15 PolarHBondContact O-N 3.31Å; L11-T15 PolarHBondContact O-OG1 3.29Å; V12-T15 WeakPolarHBondContact CA-OG1 3.19Å; V12-T15 PolarHBondContact O-N 3.22Å; V12-T15 PolarHBondContact O-OG1 2.87Å; I13-T15 VanDerWaalsContact C-N 3.35Å; I13-T15 PolarHBondContact O-N 3.14Å; T15-Y18 WeakPolarHBondContact O-CB 3.24Å; T15-Y18 PolarHBondContact O-N 3.48Å; T15-Q19 VanDerWaalsContact O-CG 3.32Å; T15-Q19 WeakPolarHBondContact O-CG 2.88Å; T15-Q19 PolarHBondContact O-N 3.11Å
16L68.6Low65.3Low100 Ų10077.1 Ų77.152%0.52441%0.406SS..Hα-helixtrans-62.2-45.7173.6-75.3171.3000111.9V12 I13 Y18 Q19 L20V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 WeakPolarHBondContact O-CB 3.35Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 2.91Å; V12-L16 PolarHBondContact O-N 3.16Å; I13-L16 PolarHBondContact O-N 3.03Å; L16-Y18 VanDerWaalsContact C-N 3.27Å; L16-Y18 PolarHBondContact O-N 3.32Å; L16-Q19 PolarHBondContact O-N 3.5Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.13Å; L16-L20 PolarHBondContact O-N 3.48Å
17V65.4Low65.4Low49 Ų4983.8 Ų83.830%0.29742%0.424SS..Hα-helixtrans-62-38.4175.4177.60000110.8I13 G21 L38 V42I13-V17 HydrophobicContact CG2-CG2 4.39Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.38Å; I13-V17 PolarHBondContact O-N 3.28Å; V17-G21 PolarHBondContact O-N 2.7Å; V17-L38 HydrophobicContact CG1-CD2 4.03Å; V17-L38 HydrophobicContact CG1-CG 4.5Å; V17-V42 HydrophobicContact CB-CG2 4.23Å; V17-V42 HydrophobicContact CG1-CG2 3.58Å
18Y61.6Low65.3Low74 Ų7484.3 Ų84.329%0.2943%0.43SS..Hα-helixtrans-60.2-48.7174.4174.8-105.7000112.4G14 T15 L16 G21 N22 R39G14-Y18 WeakPolarHBondContact O-CB 3.3Å; G14-Y18 PolarHBondContact O-N 2.81Å; T15-Y18 WeakPolarHBondContact O-CB 3.24Å; T15-Y18 PolarHBondContact O-N 3.48Å; L16-Y18 VanDerWaalsContact C-N 3.27Å; L16-Y18 PolarHBondContact O-N 3.32Å; Y18-G21 PolarHBondContact O-N 2.81Å; Y18-N22 WeakPolarHBondContact CE1-ND2 3.34Å; Y18-N22 VanDerWaalsContact CZ-ND2 3.27Å; Y18-N22 PolarHBondContact O-N 2.96Å; Y18-R39 HydrophobicContact CD2-CG 4.04Å; Y18-R39 HydrophobicContact CE2-CG 4.07Å; Y18-R39 VanDerWaalsContact CE2-CZ 3.41Å; Y18-R39 PolarHBondContact OH-NH1 3.2Å; Y18-R39 PolarHBondContact OH-NH2 3.02Å
19Q68Low64.7Low115 Ų11589.1 Ų89.154%0.53745%0.448SS..Hα-helixtrans-66.7-45-179.3-66-63.41.500112.1T15 L16 G21 N22 L23T15-Q19 VanDerWaalsContact O-CG 3.32Å; T15-Q19 WeakPolarHBondContact O-CG 2.88Å; T15-Q19 PolarHBondContact O-N 3.11Å; L16-Q19 PolarHBondContact O-N 3.5Å; Q19-G21 VanDerWaalsContact C-N 3.27Å; Q19-G21 PolarHBondContact O-N 3.37Å; Q19-N22 PolarHBondContact O-N 3.4Å; Q19-N22 VanDerWaalsContact O-N 3.12Å; Q19-L23 PolarHBondContact O-N 3.03Å
20L66.4Low64Low99 Ų9990.9 Ų90.952%0.51846%0.457SS..Hα-helixtrans-57.9-44.1174.9-74.4171.5000110.8L16 N22 L23 F24L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.13Å; L16-L20 PolarHBondContact O-N 3.48Å; L20-N22 PolarHBondContact O-N 2.59Å; L20-L23 WeakPolarHBondContact O-CB 3.19Å; L20-L23 PolarHBondContact O-N 2.75Å; L20-F24 WeakPolarHBondContact O-CD2 3.15Å; L20-F24 PolarHBondContact O-N 3.45Å
21G59.8Low63.7Low5 Ų593.5 Ų93.55%0.05246%0.464CS..Hα-helixtrans-58.1-47174.700000112.6V17 Y18 Q19 L23 F24 S25 H35V17-G21 PolarHBondContact O-N 2.7Å; Y18-G21 PolarHBondContact O-N 2.81Å; Q19-G21 VanDerWaalsContact C-N 3.27Å; Q19-G21 PolarHBondContact O-N 3.37Å; G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 3.31Å; G21-F24 PolarHBondContact O-N 2.88Å; G21-F24 VanDerWaalsContact O-N 3.17Å; G21-S25 PolarHBondContact O-N 3.39Å; G21-H35 WeakPolarHBondContact CA-CD2 3.07Å; G21-H35 VanDerWaalsContact CA-NE2 3.26Å; G21-H35 WeakPolarHBondContact CA-NE2 3.1Å; G21-H35 PolarHBondContact O-CD2 3.39Å; G21-H35 PolarHBondContact O-NE2 3.49Å
22N62Low63.3Low41 Ų4196.5 Ų96.522%0.21947%0.474CS..Hα-helixtrans-59.4-41.7-179.5-75-21.5000110.7Y18 Q19 L20 S25 L26 H35Y18-N22 WeakPolarHBondContact CE1-ND2 3.34Å; Y18-N22 VanDerWaalsContact CZ-ND2 3.27Å; Y18-N22 PolarHBondContact O-N 2.96Å; Q19-N22 PolarHBondContact O-N 3.4Å; Q19-N22 VanDerWaalsContact O-N 3.12Å; L20-N22 PolarHBondContact O-N 2.59Å; N22-S25 PolarHBondContact O-N 3.48Å; N22-L26 WeakPolarHBondContact O-CG 3.37Å; N22-L26 PolarHBondContact O-N 2.66Å; N22-L26 VanDerWaalsContact O-N 3.11Å; N22-H35 PolarHBondContact N-NE2 2.83Å; N22-H35 PolarHBondContact OD1-CE1 2.85Å; N22-H35 PolarHBondContact OD1-NE2 3.35Å
23L65.5Low62.6Low118 Ų11897.1 Ų97.162%0.61847%0.473SS*.Hα-helixtrans-59.3-47175.9-161.280.3000111.4Q19 L20 G21 S25 L26 Y27Q19-L23 PolarHBondContact O-N 3.03Å; L20-L23 WeakPolarHBondContact O-CB 3.19Å; L20-L23 PolarHBondContact O-N 2.75Å; G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 3.31Å; L23-S25 PolarHBondContact O-N 2.55Å; L23-L26 PolarHBondContact O-N 3.45Å; L23-Y27 PolarHBondContact O-N 2.85Å
24F59.8Low62.1Low136 Ų13696.6 Ų96.660%0.59647%0.469SS*.Hα-helixtrans-66.6-35.3177.3-81.7-69.1000113.3L20 G21 L26 Y27 N28L20-F24 WeakPolarHBondContact O-CD2 3.15Å; L20-F24 PolarHBondContact O-N 3.45Å; G21-F24 PolarHBondContact O-N 2.88Å; G21-F24 VanDerWaalsContact O-N 3.17Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 3.25Å; F24-Y27 PolarHBondContact O-N 2.86Å; F24-N28 PolarHBondContact O-N 2.73Å
25S58.6Low62.1Low28 Ų2896.8 Ų96.820%0.19647%0.467CS..Hα-helixtrans-68.8-30.3177.5-173.60000112.9G21 N22 L23G21-S25 PolarHBondContact O-N 3.39Å; N22-S25 PolarHBondContact O-N 3.48Å; L23-S25 PolarHBondContact O-N 2.55Å
26L57.7Low62Low154 Ų15497.7 Ų97.781%0.80647%0.466SS*.Hα-helixtrans-72.8-33.4176.8-73.3168.5000111.7N22 L23 F24N22-L26 WeakPolarHBondContact O-CG 3.37Å; N22-L26 PolarHBondContact O-N 2.66Å; N22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.45Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 3.25Å
27Y62.6Low61.8Low217 Ų21793 Ų9385%0.85144%0.442SS*.Hα-helixtrans-80.7-20.6-174.7-138.8-94.2000114L23 F24L23-Y27 PolarHBondContact O-N 2.85Å; F24-Y27 PolarHBondContact O-N 2.86Å
28N58.8Low61.9Low69 Ų6994.4 Ų94.437%0.36945%0.447SS..  trans-144.3110.9-172.8-157.2-29.4000112.7F24 N30 Y31F24-N28 PolarHBondContact O-N 2.73Å; N28-N30 PolarHBondContact O-N 3.37Å; N28-N30 VanDerWaalsContact O-N 3.09Å; N28-N30 PolarHBondContact OD1-N 2.78Å; N28-Y31 HydrophobicContact CB-CD2 3.51Å; N28-Y31 HydrophobicContact CB-CE2 4.24Å; N28-Y31 HydrophobicContact CB-CG 4.2Å; N28-Y31 WeakPolarHBondContact ND2-CD2 3.34Å; N28-Y31 VanDerWaalsContact ND2-CE2 3.33Å; N28-Y31 WeakPolarHBondContact ND2-CE2 3.5Å; N28-Y31 WeakPolarHBondContact O-CB 3.43Å; N28-Y31 PolarHBondContact O-N 3.36Å
29K58.5Low62Low203 Ų20396.6 Ų96.688%0.88345%0.454SS*.G310 helixtrans-56.1-28.9-179.3-80.4-177.8177.4174.80113.1Y31K29-Y31 VanDerWaalsContact C-N 3.26Å; K29-Y31 PolarHBondContact O-N 3.4Å
30N58.3Low62Low134 Ų13494.6 Ų94.672%0.71745%0.447SS*.G310 helixtrans-76.9-8.6178.1-69.2-25.8000113.9N28N28-N30 PolarHBondContact O-N 3.37Å; N28-N30 VanDerWaalsContact O-N 3.09Å; N28-N30 PolarHBondContact OD1-N 2.78Å
31Y60.9Low62.1Low95 Ų9590.3 Ų90.337%0.37343%0.427SS..G310 helixtrans-98.3-4.7-178-82.4-99.2000114.4N28 K29 M33 M34 H35N28-Y31 HydrophobicContact CB-CD2 3.51Å; N28-Y31 HydrophobicContact CB-CE2 4.24Å; N28-Y31 HydrophobicContact CB-CG 4.2Å; N28-Y31 WeakPolarHBondContact ND2-CD2 3.34Å; N28-Y31 VanDerWaalsContact ND2-CE2 3.33Å; N28-Y31 WeakPolarHBondContact ND2-CE2 3.5Å; N28-Y31 WeakPolarHBondContact O-CB 3.43Å; N28-Y31 PolarHBondContact O-N 3.36Å; K29-Y31 VanDerWaalsContact C-N 3.26Å; K29-Y31 PolarHBondContact O-N 3.4Å; Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 2.86Å; Y31-M34 HydrophobicContact CD1-CB 4.4Å; Y31-M34 PolarHBondContact O-N 2.79Å; Y31-H35 WeakPolarHBondContact O-CB 3.32Å; Y31-H35 PolarHBondContact O-N 3.18Å
32K60.8Low62.4Low127 Ų12791.7 Ų91.755%0.55243%0.434SS*.Hα-helixtrans-58.3-40.1-176.8-163174.8-179.9-1800112.9H35 H36K32-H35 PolarHBondContact O-N 2.79Å; K32-H36 PolarHBondContact O-CD2 3.48Å; K32-H36 PolarHBondContact O-N 2.98Å; K32-H36 VanDerWaalsContact O-N 3.13Å
33M58.5Low62.8Low96 Ų9694.7 Ų94.747%0.47345%0.45SS..Hα-helixtrans-72.3-38.9177.2-80.8-134.3-83.500113.9Y31 H35 T37 V232 T235Y31-M33 VanDerWaalsContact C-N 3.32Å; Y31-M33 PolarHBondContact O-N 2.86Å; M33-H35 VanDerWaalsContact C-N 3.26Å; M33-H35 PolarHBondContact O-N 3.04Å; M33-T37 PolarHBondContact O-N 3.4Å; M33-T37 PolarHBondContact O-OG1 3.16Å; M33-V232 HydrophobicContact CB-CG1 4.19Å; M33-T235 HydrophobicContact CE-CG2 4.02Å
34M62.2Low63Low80 Ų8090.1 Ų90.139%0.39443%0.426SS..Hα-helixtrans-60.6-41.3173.6-92.9-86.3-159.800110.5Y31 T37 L38 R236Y31-M34 HydrophobicContact CD1-CB 4.4Å; Y31-M34 PolarHBondContact O-N 2.79Å; M34-T37 PolarHBondContact O-N 3.05Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 PolarHBondContact O-N 2.92Å; M34-R236 VanDerWaalsContact CE-NH1 3.32Å
35H63.3Low63.4Low15 Ų1585.7 Ų85.77%0.06941%0.411CS..Hα-helixtrans-66.6-46.9-179.4-178.7-101000113.2G21 N22 Y31 K32 M33 T37 L38 R39G21-H35 WeakPolarHBondContact CA-CD2 3.07Å; G21-H35 VanDerWaalsContact CA-NE2 3.26Å; G21-H35 WeakPolarHBondContact CA-NE2 3.1Å; G21-H35 PolarHBondContact O-CD2 3.39Å; G21-H35 PolarHBondContact O-NE2 3.49Å; N22-H35 PolarHBondContact N-NE2 2.83Å; N22-H35 PolarHBondContact OD1-CE1 2.85Å; N22-H35 PolarHBondContact OD1-NE2 3.35Å; Y31-H35 WeakPolarHBondContact O-CB 3.32Å; Y31-H35 PolarHBondContact O-N 3.18Å; K32-H35 PolarHBondContact O-N 2.79Å; M33-H35 VanDerWaalsContact C-N 3.26Å; M33-H35 PolarHBondContact O-N 3.04Å; H35-T37 PolarHBondContact O-N 3.05Å; H35-L38 PolarHBondContact O-N 2.98Å; H35-R39 WeakPolarHBondContact O-CB 3.37Å; H35-R39 PolarHBondContact O-N 2Å
36H65.2Low63.8Low97 Ų9785.8 Ų85.845%0.44941%0.41SS..Hα-helixtrans-59.1-38.7175.6-78.3-63000112.1K32 R39 L40K32-H36 PolarHBondContact O-CD2 3.48Å; K32-H36 PolarHBondContact O-N 2.98Å; K32-H36 VanDerWaalsContact O-N 3.13Å; H36-R39 PolarHBondContact O-N 3.28Å; H36-L40 PolarHBondContact O-N 2.91Å
37T64.6Low64.4Low2 Ų281.3 Ų81.31%0.01239%0.391CS..Hα-helixtrans-72.5-39.7178.7-42.10000111.5M33 M34 H35 R39 L40 G41 F225 M229M33-T37 PolarHBondContact O-N 3.4Å; M33-T37 PolarHBondContact O-OG1 3.16Å; M34-T37 PolarHBondContact O-N 3.05Å; H35-T37 PolarHBondContact O-N 3.05Å; T37-R39 VanDerWaalsContact C-N 3.33Å; T37-R39 PolarHBondContact O-N 3.42Å; T37-L40 PolarHBondContact O-N 3.26Å; T37-G41 PolarHBondContact O-N 3.17Å; T37-F225 HydrophobicContact CG2-CE2 3.78Å; T37-F225 HydrophobicContact CG2-CZ 4.13Å; T37-F225 WeakPolarHBondContact O-CE2 3.35Å; T37-F225 VanDerWaalsContact O-CZ 3.24Å; T37-F225 WeakPolarHBondContact O-CZ 3.18Å; T37-M229 HydrophobicContact CG2-CB 4.35Å; T37-M229 HydrophobicContact CG2-CE 3.81Å; T37-M229 HydrophobicContact CG2-CG 3.46Å; T37-M229 VanDerWaalsContact CG2-CG 3.46Å; T37-M229 HydrophobicContact CG2-SD 3.25Å; T37-M229 WeakPolarHBondContact CG2-SD 3.4Å
38L66Low64.8Low77 Ų7776 Ų7640%0.40337%0.371SS..Hα-helixtrans-60.3-43.7172.3-167.983.8000111.4V17 M34 H35 L40 G41 V42V17-L38 HydrophobicContact CG1-CD2 4.03Å; V17-L38 HydrophobicContact CG1-CG 4.5Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 PolarHBondContact O-N 2.92Å; H35-L38 PolarHBondContact O-N 2.98Å; L38-L40 PolarHBondContact O-N 3.3Å; L38-G41 PolarHBondContact O-N 3.11Å; L38-V42 WeakPolarHBondContact O-CG2 3.18Å; L38-V42 PolarHBondContact O-N 2.94Å
39R65.3Low65.2Low120 Ų12078 Ų7845%0.45338%0.376SS..Hα-helixtrans-59.1-46.2177.5-178-178.3-179.8161.73.3111.6Y18 H35 H36 T37 G41 L43Y18-R39 HydrophobicContact CD2-CG 4.04Å; Y18-R39 HydrophobicContact CE2-CG 4.07Å; Y18-R39 VanDerWaalsContact CE2-CZ 3.41Å; Y18-R39 PolarHBondContact OH-NH1 3.2Å; Y18-R39 PolarHBondContact OH-NH2 3.02Å; H35-R39 WeakPolarHBondContact O-CB 3.37Å; H35-R39 PolarHBondContact O-N 2Å; H36-R39 PolarHBondContact O-N 3.28Å; T37-R39 VanDerWaalsContact C-N 3.33Å; T37-R39 PolarHBondContact O-N 3.42Å; R39-G41 VanDerWaalsContact C-N 3.33Å; R39-L43 PolarHBondContact O-N 3.13Å; R39-L43 VanDerWaalsContact O-N 3.13Å
40L67.6Low65.5Low74 Ų7470.7 Ų70.739%0.38735%0.348SS..Hα-helixtrans-64.8-38.9177.3-174.365.1000111.3H36 T37 L38 L43 L44 F225H36-L40 PolarHBondContact O-N 2.91Å; T37-L40 PolarHBondContact O-N 3.26Å; L38-L40 PolarHBondContact O-N 3.3Å; L40-L43 PolarHBondContact O-N 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.16Å; L40-L44 WeakPolarHBondContact O-CB 3.1Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.13Å; L40-F225 HydrophobicContact CB-CD2 4.21Å; L40-F225 HydrophobicContact CB-CE2 3.92Å; L40-F225 HydrophobicContact CD2-CD2 3.87Å; L40-F225 HydrophobicContact CD2-CE2 4.28Å; L40-F225 HydrophobicContact CG-CD2 3.85Å; L40-F225 HydrophobicContact CG-CE2 4.09Å
41G67.2Low65.9Low9 Ų965.1 Ų65.19%0.09332%0.319CS..Hα-helixtrans-65.2-44.117800000113.7T37 L38 R39 L43 L44 C45 F225T37-G41 PolarHBondContact O-N 3.17Å; L38-G41 PolarHBondContact O-N 3.11Å; R39-G41 VanDerWaalsContact C-N 3.33Å; G41-L43 VanDerWaalsContact C-N 3.34Å; G41-L44 PolarHBondContact O-N 3.06Å; G41-C45 WeakPolarHBondContact O-CB 3.27Å; G41-C45 PolarHBondContact O-N 3.03Å; G41-C45 PolarHBondContact O-SG 3.19Å; G41-C45 VanDerWaalsContact O-SG 3.41Å; G41-F225 VanDerWaalsContact CA-CE1 3.5Å; G41-F225 VanDerWaalsContact N-CZ 3.33Å
42V67.6Low66Low33 Ų3361.5 Ų61.520%0.231%0.309CS..Hα-helixtrans-62.5-44.3175.6174.10000110.5V17 L38 L44 C45 V46V17-V42 HydrophobicContact CB-CG2 4.23Å; V17-V42 HydrophobicContact CG1-CG2 3.58Å; L38-V42 WeakPolarHBondContact O-CG2 3.18Å; L38-V42 PolarHBondContact O-N 2.94Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.1Å; V42-C45 PolarHBondContact O-N 3.29Å; V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.46Å
43L69.4Low66.1Low105 Ų10556.8 Ų56.855%0.5529%0.292SS..Hα-helixtrans-58.9-44.8177.2-172.171.2000111.1R39 L40 G41 V46 C47R39-L43 PolarHBondContact O-N 3.13Å; R39-L43 VanDerWaalsContact O-N 3.13Å; L40-L43 PolarHBondContact O-N 3.43Å; G41-L43 VanDerWaalsContact C-N 3.34Å; L43-V46 PolarHBondContact O-N 2.95Å; L43-C47 PolarHBondContact O-N 2.68Å; L43-C47 PolarHBondContact O-SG 2.76Å
44L69.2Low66.2Low21 Ų2154.1 Ų54.111%0.1128%0.279CS..Hα-helixtrans-67.9-37178.4-72172.9000113.2L40 G41 V42 C47 Y48 L221 F225L40-L44 HydrophobicContact CG-CD1 4.16Å; L40-L44 WeakPolarHBondContact O-CB 3.1Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.13Å; G41-L44 PolarHBondContact O-N 3.06Å; V42-L44 VanDerWaalsContact C-N 3.31Å; V42-L44 PolarHBondContact O-N 3.1Å; L44-C47 PolarHBondContact O-N 3.24Å; L44-Y48 WeakPolarHBondContact O-CB 3.49Å; L44-Y48 PolarHBondContact O-N 2.02Å; L44-L221 HydrophobicContact CD2-CB 3.82Å; L44-L221 HydrophobicContact CD2-CD1 4.28Å; L44-F225 HydrophobicContact CD1-CB 3.34Å; L44-F225 HydrophobicContact CD1-CD1 4.4Å; L44-F225 HydrophobicContact CD1-CD2 3.7Å; L44-F225 HydrophobicContact CD1-CG 3.54Å
45C69.7Low66.2Low44 Ų4453.3 Ų53.330%0.29728%0.276SS..Hα-helixtrans-61.2-45.9171.1-77.10000111.1G41 V42 C47 Y48 F49G41-C45 WeakPolarHBondContact O-CB 3.27Å; G41-C45 PolarHBondContact O-N 3.03Å; G41-C45 PolarHBondContact O-SG 3.19Å; G41-C45 VanDerWaalsContact O-SG 3.41Å; V42-C45 PolarHBondContact O-N 3.29Å; C45-C47 VanDerWaalsContact C-N 3.35Å; C45-C47 PolarHBondContact O-N 3.26Å; C45-Y48 PolarHBondContact O-N 3.41Å; C45-F49 WeakPolarHBondContact O-CB 3.23Å; C45-F49 WeakPolarHBondContact O-CD2 3.45Å; C45-F49 PolarHBondContact O-N 2.92Å
46V66.3Low65.9Low29 Ų2959.8 Ų59.818%0.17631%0.31CS..Hα-helixtrans-61.1-45.9176.8174.10000110.2V10 L11 V42 L43 Y48 F49 V50V10-V46 HydrophobicContact CG1-CG2 4.08Å; L11-V46 HydrophobicContact CD2-CG1 4.36Å; V42-V46 HydrophobicContact CG1-CG2 4.46Å; V42-V46 WeakPolarHBondContact O-CG2 3.41Å; V42-V46 PolarHBondContact O-N 3.46Å; L43-V46 PolarHBondContact O-N 2.95Å; V46-Y48 PolarHBondContact O-N 3.18Å; V46-F49 PolarHBondContact O-N 3.38Å; V46-V50 HydrophobicContact CG1-CG2 4.47Å; V46-V50 WeakPolarHBondContact O-CB 3.2Å; V46-V50 VanDerWaalsContact O-CG2 3.28Å; V46-V50 WeakPolarHBondContact O-CG2 2.9Å; V46-V50 PolarHBondContact O-N 3.22Å
47C70.2Confident65.6Low60 Ų6058.8 Ų58.841%0.40531%0.305SS..Hα-helixtrans-58.9-46.2174.9-69.40000111.8L43 L44 C45 F49 V50 T51L43-C47 PolarHBondContact O-N 2.68Å; L43-C47 PolarHBondContact O-SG 2.76Å; L44-C47 PolarHBondContact O-N 3.24Å; C45-C47 VanDerWaalsContact C-N 3.35Å; C45-C47 PolarHBondContact O-N 3.26Å; C47-F49 PolarHBondContact O-N 2.8Å; C47-V50 PolarHBondContact O-N 3.28Å; C47-T51 PolarHBondContact O-N 2.92Å; C47-T51 PolarHBondContact O-OG1 2.94Å
48Y70.3Confident65.2Low107 Ų10762.6 Ų62.642%0.4232%0.32SS..Hα-helixtrans-60.6-45.8176.3176.5-94000111.8L44 C45 V46 V50 T51 A52 W222L44-Y48 WeakPolarHBondContact O-CB 3.49Å; L44-Y48 PolarHBondContact O-N 2.02Å; C45-Y48 PolarHBondContact O-N 3.41Å; V46-Y48 PolarHBondContact O-N 3.18Å; Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 3.41Å; Y48-T51 PolarHBondContact O-N 3.4Å; Y48-A52 HydrophobicContact CE1-CB 4.24Å; Y48-A52 WeakPolarHBondContact O-CB 3.4Å; Y48-A52 PolarHBondContact O-N 2.91Å; Y48-W222 AromaticContact CG-NE1 3.86Å
49F67.6Low64.5Low109 Ų10965 Ų6548%0.47834%0.342SS..Hα-helixtrans-63.7-36.5177.2-87.5-69.9000112C45 V46 C47 S53C45-F49 WeakPolarHBondContact O-CB 3.23Å; C45-F49 WeakPolarHBondContact O-CD2 3.45Å; C45-F49 PolarHBondContact O-N 2.92Å; V46-F49 PolarHBondContact O-N 3.38Å; C47-F49 PolarHBondContact O-N 2.8Å; F49-S53 WeakPolarHBondContact O-CA 3.48Å; F49-S53 WeakPolarHBondContact O-CB 3.2Å; F49-S53 PolarHBondContact O-N 3.47Å; F49-S53 PolarHBondContact O-OG 3.47Å
50V65.8Low64.3Low50 Ų5061.4 Ų61.430%0.30334%0.335SS..Hα-helixtrans-65.3-48.1173.4169.70000110.3F7 V46 C47 Y48 S53 I54F7-V50 HydrophobicContact CD2-CG2 4.43Å; F7-V50 HydrophobicContact CE2-CG2 3.88Å; V46-V50 HydrophobicContact CG1-CG2 4.47Å; V46-V50 WeakPolarHBondContact O-CB 3.2Å; V46-V50 VanDerWaalsContact O-CG2 3.28Å; V46-V50 WeakPolarHBondContact O-CG2 2.9Å; V46-V50 PolarHBondContact O-N 3.22Å; C47-V50 PolarHBondContact O-N 3.28Å; Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 3.41Å; V50-S53 WeakPolarHBondContact O-CB 3.45Å; V50-S53 PolarHBondContact O-N 2.98Å; V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 WeakPolarHBondContact O-CD1 3.43Å; V50-I54 WeakPolarHBondContact O-CG1 3.49Å; V50-I54 PolarHBondContact O-N 3.13Å
51T65.8Low64.3Low18 Ų1860.7 Ų60.711%0.1133%0.327CS..Hα-helixtrans-62.9-44.9177.7-53.20000111.7C47 Y48 I54 L55 L214C47-T51 PolarHBondContact O-N 2.92Å; C47-T51 PolarHBondContact O-OG1 2.94Å; Y48-T51 PolarHBondContact O-N 3.4Å; T51-I54 WeakPolarHBondContact O-CB 3.27Å; T51-I54 PolarHBondContact O-N 3.43Å; T51-L55 HydrophobicContact CG2-CD1 4.03Å; T51-L55 WeakPolarHBondContact O-CB 3.41Å; T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.12Å; T51-L55 PolarHBondContact O-N 3.47Å; T51-L214 HydrophobicContact CG2-CB 3.98Å
52A63.5Low64.6Low19 Ų1961.4 Ų61.416%0.15733%0.333CS..Hα-helixtrans-65.8-38.2176.600000112Y48 I54 L55 L56Y48-A52 HydrophobicContact CE1-CB 4.24Å; Y48-A52 WeakPolarHBondContact O-CB 3.4Å; Y48-A52 PolarHBondContact O-N 2.91Å; A52-I54 VanDerWaalsContact C-N 3.34Å; A52-L55 PolarHBondContact O-N 3.5Å; A52-L56 WeakPolarHBondContact O-CB 3.06Å; A52-L56 VanDerWaalsContact O-CG 3.27Å; A52-L56 WeakPolarHBondContact O-CG 2.98Å; A52-L56 PolarHBondContact O-N 2.93Å
53S62.5Low64.9Low28 Ų2864.1 Ų64.120%0.19635%0.346CS..Hα-helixtrans-62.7-41.1173.6-800000112.4F49 V50 K57F49-S53 WeakPolarHBondContact O-CA 3.48Å; F49-S53 WeakPolarHBondContact O-CB 3.2Å; F49-S53 PolarHBondContact O-N 3.47Å; F49-S53 PolarHBondContact O-OG 3.47Å; V50-S53 WeakPolarHBondContact O-CB 3.45Å; V50-S53 PolarHBondContact O-N 2.98Å; S53-K57 WeakPolarHBondContact O-CB 3.3Å; S53-K57 PolarHBondContact O-N 3.21Å
54I61.8Low65.4Low40 Ų4063.5 Ų63.521%0.20534%0.342CS..Hα-helixtrans-67.2-44.9175.1-71165.7000109.7V50 T51 A52 K57 Y61 L211V50-I54 HydrophobicContact CG1-CD1 3.7Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 WeakPolarHBondContact O-CD1 3.43Å; V50-I54 WeakPolarHBondContact O-CG1 3.49Å; V50-I54 PolarHBondContact O-N 3.13Å; T51-I54 WeakPolarHBondContact O-CB 3.27Å; T51-I54 PolarHBondContact O-N 3.43Å; A52-I54 VanDerWaalsContact C-N 3.34Å; I54-K57 PolarHBondContact O-N 2.74Å; I54-Y61 HydrophobicContact CG2-CE2 3.99Å; I54-Y61 WeakPolarHBondContact CG2-OH 3.48Å; I54-L211 HydrophobicContact CB-CD2 4.43Å; I54-L211 HydrophobicContact CG2-CD1 3.81Å; I54-L211 HydrophobicContact CG2-CD2 3.18Å; I54-L211 HydrophobicContact CG2-CG 4.15Å
55L60.5Low66.1Low63 Ų6365.2 Ų65.233%0.3335%0.347SS..Hα-helixtrans-61-45.1176-77.3162.3000112.1T51 A52 K57 Y58 L211T51-L55 HydrophobicContact CG2-CD1 4.03Å; T51-L55 WeakPolarHBondContact O-CB 3.41Å; T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.12Å; T51-L55 PolarHBondContact O-N 3.47Å; A52-L55 PolarHBondContact O-N 3.5Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-Y58 HydrophobicContact CD2-CD2 4.34Å; L55-Y58 HydrophobicContact CD2-CE2 3.82Å; L55-Y58 VanDerWaalsContact O-CB 3.31Å; L55-Y58 WeakPolarHBondContact O-CB 3.46Å; L55-Y58 VanDerWaalsContact O-CD2 3.26Å; L55-Y58 WeakPolarHBondContact O-CD2 3.38Å; L55-Y58 PolarHBondContact O-N 3.39Å; L55-Y58 VanDerWaalsContact O-N 3.09Å; L55-L211 HydrophobicContact CD2-CB 3.84Å
56L58Low67Low150 Ų15066.3 Ų66.379%0.78535%0.348SS*.Hα-helixtrans-65.4-24.2177.4-76.9165000112.5A52 Y58A52-L56 WeakPolarHBondContact O-CB 3.06Å; A52-L56 VanDerWaalsContact O-CG 3.27Å; A52-L56 WeakPolarHBondContact O-CG 2.98Å; A52-L56 PolarHBondContact O-N 2.93Å; L56-Y58 VanDerWaalsContact C-N 3.31Å
57K59.6Low67.9Low76 Ų7671.3 Ų71.333%0.3337%0.367SS..THydrogen-bonded Turntrans-87.510.6175.1-94.9-169.8176179.10114.4F3 S53 I54 L55 C59 S60 Y61F3-K57 HydrophobicContact CD2-CD 4.42Å; F3-K57 HydrophobicContact CE2-CD 4.33Å; S53-K57 WeakPolarHBondContact O-CB 3.3Å; S53-K57 PolarHBondContact O-N 3.21Å; I54-K57 PolarHBondContact O-N 2.74Å; L55-K57 PolarHBondContact O-N 2.91Å; K57-C59 PolarHBondContact O-N 3Å; K57-S60 WeakPolarHBondContact CB-OG 3.36Å; K57-S60 PolarHBondContact O-N 2.99Å; K57-S60 PolarHBondContact O-OG 3.3Å; K57-Y61 HydrophobicContact CB-CE2 4.28Å
58Y54.6Low68.8Low82 Ų8271.2 Ų71.232%0.32236%0.362SS..G310 helixtrans-43.2-33.7176.1-116.7-110.8000114L55 L56 S60 C208 L211L55-Y58 HydrophobicContact CD2-CD2 4.34Å; L55-Y58 HydrophobicContact CD2-CE2 3.82Å; L55-Y58 VanDerWaalsContact O-CB 3.31Å; L55-Y58 WeakPolarHBondContact O-CB 3.46Å; L55-Y58 VanDerWaalsContact O-CD2 3.26Å; L55-Y58 WeakPolarHBondContact O-CD2 3.38Å; L55-Y58 PolarHBondContact O-N 3.39Å; L55-Y58 VanDerWaalsContact O-N 3.09Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; Y58-S60 VanDerWaalsContact C-N 3.28Å; Y58-S60 PolarHBondContact O-N 2.9Å; Y58-C208 HydrophobicContact CE1-CB 3.65Å; Y58-C208 WeakPolarHBondContact CE1-SG 3.24Å; Y58-C208 VanDerWaalsContact OH-C 3.27Å; Y58-C208 WeakPolarHBondContact OH-CA 3.35Å; Y58-C208 WeakPolarHBondContact OH-CB 2.88Å; Y58-C208 PolarHBondContact OH-N 3.27Å; Y58-C208 PolarHBondContact OH-O 3.03Å; Y58-L211 HydrophobicContact CD2-CD1 3.59Å; Y58-L211 HydrophobicContact CE2-CB 3.58Å; Y58-L211 HydrophobicContact CE2-CD1 3.09Å; Y58-L211 HydrophobicContact CE2-CG 3.9Å
59C52.9Low69.7Low128 Ų12866.3 Ų66.387%0.86534%0.343SS*.G310 helixtrans-74.7-5.2177.9-62.50000115.7K57K57-C59 PolarHBondContact O-N 3Å
60S60.2Low70.7Confident44 Ų4464.3 Ų64.331%0.30835%0.347SS..G310 helixtrans-116.3-10-172.868.10000115.1K57 Y58 L63 L64K57-S60 WeakPolarHBondContact CB-OG 3.36Å; K57-S60 PolarHBondContact O-N 2.99Å; K57-S60 PolarHBondContact O-OG 3.3Å; Y58-S60 VanDerWaalsContact C-N 3.28Å; Y58-S60 PolarHBondContact O-N 2.9Å; S60-L63 PolarHBondContact O-N 2.88Å; S60-L64 PolarHBondContact O-N 2.68Å
61Y67.4Low71.8Confident59 Ų5964.6 Ų64.623%0.23135%0.354CS..Hα-helixtrans-69.3-41.7178.7-81.1-78000111.8I54 K57 L63 L64 W65 T207I54-Y61 HydrophobicContact CG2-CE2 3.99Å; I54-Y61 WeakPolarHBondContact CG2-OH 3.48Å; K57-Y61 HydrophobicContact CB-CE2 4.28Å; Y61-L63 VanDerWaalsContact C-N 3.28Å; Y61-L63 PolarHBondContact O-N 2.97Å; Y61-L64 WeakPolarHBondContact O-CB 3.25Å; Y61-L64 PolarHBondContact O-N 3.3Å; Y61-L64 VanDerWaalsContact O-N 3.1Å; Y61-W65 PolarHBondContact O-N 3.49Å; Y61-T207 HydrophobicContact CD1-CG2 4.47Å; Y61-T207 HydrophobicContact CD2-CG2 4.48Å; Y61-T207 HydrophobicContact CG-CG2 4.18Å
62A73Confident72.9Confident25 Ų2564.1 Ų64.121%0.20735%0.352CS..Hα-helixtrans-55.1-45.5172.800000111.3L64 W65 E66 F100A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 2.97Å; A62-W65 PolarHBondContact O-N 3.42Å; A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.27Å; A62-E66 PolarHBondContact O-N 3.27Å; A62-F100 WeakPolarHBondContact O-CZ 3.32Å
63L75.6Confident74.1Confident90 Ų9063.6 Ų63.647%0.47135%0.346SS..Hα-helixtrans-64.6-36.9177.5-164.590.1000112.6S60 Y61 K67S60-L63 PolarHBondContact O-N 2.88Å; Y61-L63 VanDerWaalsContact C-N 3.28Å; Y61-L63 PolarHBondContact O-N 2.97Å; L63-K67 VanDerWaalsContact O-CG 3.29Å; L63-K67 WeakPolarHBondContact O-CG 3.41Å; L63-K67 PolarHBondContact O-N 2.78Å
64L78.9Confident75.2Confident92 Ų9265.7 Ų65.748%0.48236%0.36SS..Hα-helixtrans-66.6-47.8176.4-17866.9000110.6S60 Y61 A62 K67 I68S60-L64 PolarHBondContact O-N 2.68Å; Y61-L64 WeakPolarHBondContact O-CB 3.25Å; Y61-L64 PolarHBondContact O-N 3.3Å; Y61-L64 VanDerWaalsContact O-N 3.1Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 2.97Å; L64-K67 PolarHBondContact O-N 3.18Å; L64-I68 HydrophobicContact CD1-CD1 4.43Å; L64-I68 HydrophobicContact CG-CD1 4.01Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 2.02Å
65W84.9Confident76.3Confident56 Ų5665.5 Ų65.521%0.21236%0.359CS..Hα-helixtrans-62.1-43.5176-77.9111.7000111.6Y61 A62 K67 I68 F69 F87 V91 F100 I203Y61-W65 PolarHBondContact O-N 3.49Å; A62-W65 PolarHBondContact O-N 3.42Å; W65-K67 VanDerWaalsContact C-N 3.29Å; W65-K67 PolarHBondContact O-N 2.98Å; W65-I68 PolarHBondContact O-N 2.78Å; W65-I68 VanDerWaalsContact O-N 3.11Å; W65-F69 HydrophobicContact CE3-CD2 4.26Å; W65-F69 AromaticContact CE3-CE2 3.91Å; W65-F69 HydrophobicContact CE3-CE2 3.91Å; W65-F69 HydrophobicContact CZ3-CE2 4.37Å; W65-F69 WeakPolarHBondContact O-CD2 3.2Å; W65-F69 PolarHBondContact O-N 3.37Å; W65-F87 AromaticContact CZ3-CZ 3.95Å; W65-F87 HydrophobicContact CZ3-CZ 3.95Å; W65-V91 HydrophobicContact CZ3-CG2 4.32Å; W65-F100 HydrophobicContact CB-CD2 4.41Å; W65-F100 HydrophobicContact CB-CE2 3.66Å; W65-F100 HydrophobicContact CB-CZ 4.35Å; W65-I203 VanDerWaalsContact CD1-CG2 3.43Å; W65-I203 HydrophobicContact CD2-CD1 4.27Å; W65-I203 HydrophobicContact CD2-CG2 3.77Å; W65-I203 HydrophobicContact CE3-CD1 4.1Å; W65-I203 HydrophobicContact CG-CG2 3.74Å; W65-I203 HydrophobicContact CZ2-CG2 4.16Å; W65-I203 HydrophobicContact CZ3-CD1 4.4Å; W65-I203 VanDerWaalsContact NE1-CG2 3.3Å
66E87.3Confident77.3Confident67 Ų6763.4 Ų63.431%0.31335%0.347SS..Hα-helixtrans-55.5-45.4174.8-171.7175.1-155.800110.9A62 F69 A70 F100 K101A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.27Å; A62-E66 PolarHBondContact O-N 3.27Å; E66-F69 PolarHBondContact O-N 2.95Å; E66-A70 WeakPolarHBondContact O-CB 3.31Å; E66-A70 PolarHBondContact O-N 3.3Å; E66-F100 HydrophobicContact CB-CD1 3.97Å; E66-F100 HydrophobicContact CB-CE1 3.46Å; E66-F100 VanDerWaalsContact CB-CE1 3.46Å; E66-F100 HydrophobicContact CB-CZ 3.8Å; E66-F100 HydrophobicContact CG-CD1 3.89Å; E66-F100 HydrophobicContact CG-CE1 3.72Å; E66-K101 VanDerWaalsContact OE1-CE 3.3Å; E66-K101 WeakPolarHBondContact OE1-CE 3.37Å; E66-K101 IonicContact OE1-NZ 2.76Å; E66-K101 PolarHBondContact OE1-NZ 3.09Å
67K85.8Confident78.2Confident135 Ų13558.7 Ų58.759%0.58732%0.32SS*.Hα-helixtrans-64.8-40.7176.6-74.8176.7-179.2-175.20112.9L63 L64 W65 A70 A71L63-K67 VanDerWaalsContact O-CG 3.29Å; L63-K67 WeakPolarHBondContact O-CG 3.41Å; L63-K67 PolarHBondContact O-N 2.78Å; L64-K67 PolarHBondContact O-N 3.18Å; W65-K67 VanDerWaalsContact C-N 3.29Å; W65-K67 PolarHBondContact O-N 2.98Å; K67-A70 PolarHBondContact O-N 3.41Å; K67-A71 WeakPolarHBondContact O-CB 3.33Å; K67-A71 PolarHBondContact O-N 3.05Å
68I88Confident79.1Confident58 Ų5857.4 Ų57.430%0.29732%0.321SS..Hα-helixtrans-65-44.1178.3-68.6165.5000110.5L64 W65 A71 S72 F87L64-I68 HydrophobicContact CD1-CD1 4.43Å; L64-I68 HydrophobicContact CG-CD1 4.01Å; L64-I68 VanDerWaalsContact O-CG1 3.29Å; L64-I68 WeakPolarHBondContact O-CG1 3.45Å; L64-I68 PolarHBondContact O-N 2.02Å; W65-I68 PolarHBondContact O-N 2.78Å; W65-I68 VanDerWaalsContact O-N 3.11Å; I68-A71 PolarHBondContact O-N 2.75Å; I68-S72 VanDerWaalsContact O-CB 3.27Å; I68-S72 WeakPolarHBondContact O-CB 3.45Å; I68-S72 PolarHBondContact O-N 3.13Å; I68-S72 PolarHBondContact O-OG 3.1Å; I68-F87 HydrophobicContact CG2-CE1 3.5Å; I68-F87 VanDerWaalsContact CG2-CE1 3.5Å; I68-F87 HydrophobicContact CG2-CZ 3.48Å; I68-F87 VanDerWaalsContact CG2-CZ 3.48Å
69F90.4Very high79.7Confident3 Ų359.7 Ų59.71%0.01334%0.344CS..Hα-helixtrans-65.9-45.8175.3-89.6-100.9000111.4W65 E66 A71 S72 V73 L88 V91 F100 C199 I203W65-F69 HydrophobicContact CE3-CD2 4.26Å; W65-F69 AromaticContact CE3-CE2 3.91Å; W65-F69 HydrophobicContact CE3-CE2 3.91Å; W65-F69 HydrophobicContact CZ3-CE2 4.37Å; W65-F69 WeakPolarHBondContact O-CD2 3.2Å; W65-F69 PolarHBondContact O-N 3.37Å; E66-F69 PolarHBondContact O-N 2.95Å; F69-A71 PolarHBondContact O-N 3.23Å; F69-S72 PolarHBondContact O-N 2.95Å; F69-V73 HydrophobicContact CB-CG2 4.49Å; F69-V73 HydrophobicContact CD1-CG2 4.11Å; F69-V73 WeakPolarHBondContact O-CB 3.32Å; F69-V73 VanDerWaalsContact O-CG2 3.29Å; F69-V73 WeakPolarHBondContact O-CG2 3.19Å; F69-V73 PolarHBondContact O-N 2.85Å; F69-L88 HydrophobicContact CD1-CD2 3.65Å; F69-L88 HydrophobicContact CE1-CD2 3.63Å; F69-L88 HydrophobicContact CG-CD2 4.32Å; F69-L88 HydrophobicContact CZ-CD2 4.26Å; F69-V91 HydrophobicContact CE2-CG1 4.03Å; F69-V91 HydrophobicContact CZ-CB 4.47Å; F69-V91 HydrophobicContact CZ-CG1 3.61Å; F69-F100 HydrophobicContact CB-CB 3.75Å; F69-F100 HydrophobicContact CB-CD2 4.39Å; F69-F100 HydrophobicContact CB-CG 4.23Å; F69-F100 HydrophobicContact CD1-CB 3.75Å; F69-F100 HydrophobicContact CD2-CB 4.34Å; F69-F100 AromaticContact CD2-CD2 3.82Å; F69-F100 HydrophobicContact CD2-CD2 3.82Å; F69-F100 HydrophobicContact CD2-CG 4.44Å; F69-F100 HydrophobicContact CE1-CB 4.38Å; F69-F100 HydrophobicContact CE2-CD2 4.17Å; F69-F100 HydrophobicContact CG-CB 3.71Å; F69-F100 HydrophobicContact CG-CD2 4.05Å; F69-F100 HydrophobicContact CG-CG 4.22Å; F69-C199 HydrophobicContact CE1-CB 4.29Å; F69-C199 HydrophobicContact CZ-CB 3.82Å; F69-I203 HydrophobicContact CE2-CD1 3.77Å; F69-I203 HydrophobicContact CZ-CD1 4.07Å
70A88.2Confident80.3Confident67 Ų6760.7 Ų60.755%0.55434%0.34SS*.Hα-helixtrans-59.2-33.6177.300000112.7E66 K67 P74E66-A70 WeakPolarHBondContact O-CB 3.31Å; E66-A70 PolarHBondContact O-N 3.3Å; K67-A70 PolarHBondContact O-N 3.41Å; A70-P74 WeakPolarHBondContact O-CD 3.49Å; A70-P74 WeakPolarHBondContact O-CG 3.44Å
71A88.3Confident80.8Confident56 Ų5662.6 Ų62.646%0.46334%0.343SS..Hα-helixtrans-77.3-29.917400000113.3K67 I68 F69 N75K67-A71 WeakPolarHBondContact O-CB 3.33Å; K67-A71 PolarHBondContact O-N 3.05Å; I68-A71 PolarHBondContact O-N 2.75Å; F69-A71 PolarHBondContact O-N 3.23Å; A71-N75 PolarHBondContact O-ND2 2.95Å
72S89.9Confident81.3Confident8 Ų863.7 Ų63.76%0.05636%0.356CS..Hα-helixtrans-93.2-40.8-171.5-60.20000113.8I68 F69 N75 Y76 H84I68-S72 VanDerWaalsContact O-CB 3.27Å; I68-S72 WeakPolarHBondContact O-CB 3.45Å; I68-S72 PolarHBondContact O-N 3.13Å; I68-S72 PolarHBondContact O-OG 3.1Å; F69-S72 PolarHBondContact O-N 2.95Å; S72-N75 PolarHBondContact O-N 3.26Å; S72-Y76 PolarHBondContact O-N 2.85Å; S72-H84 WeakPolarHBondContact CA-ND1 3.35Å; S72-H84 WeakPolarHBondContact CB-ND1 3.39Å; S72-H84 PolarHBondContact OG-ND1 2.69Å; S72-H84 VanDerWaalsContact OG-ND1 3.09Å
73V88.5Confident81.9Confident8 Ų867.8 Ų67.85%0.04838%0.378CS..G310 helixtrans-58.2-44.5-175.4171.50000112.7F69 N75 Y76 L88 D105 Y106 A109F69-V73 HydrophobicContact CB-CG2 4.49Å; F69-V73 HydrophobicContact CD1-CG2 4.11Å; F69-V73 WeakPolarHBondContact O-CB 3.32Å; F69-V73 VanDerWaalsContact O-CG2 3.29Å; F69-V73 WeakPolarHBondContact O-CG2 3.19Å; F69-V73 PolarHBondContact O-N 2.85Å; V73-N75 PolarHBondContact O-N 2.98Å; V73-N75 VanDerWaalsContact O-N 3.1Å; V73-Y76 VanDerWaalsContact O-CB 3.32Å; V73-Y76 WeakPolarHBondContact O-CB 3.21Å; V73-Y76 PolarHBondContact O-N 2.88Å; V73-Y76 VanDerWaalsContact O-N 3.13Å; V73-L88 HydrophobicContact CG2-CD1 4.04Å; V73-L88 HydrophobicContact CG2-CD2 4.3Å; V73-D105 HydrophobicContact CG1-CB 4.43Å; V73-D105 WeakPolarHBondContact CG1-O 3.32Å; V73-Y106 HydrophobicContact CG1-CD1 3.9Å; V73-Y106 HydrophobicContact CG1-CE1 4.03Å; V73-Y106 HydrophobicContact CG1-CG 4.25Å; V73-A109 WeakPolarHBondContact O-CB 3.13Å
74P85.4Confident82.3Confident73 Ų7366 Ų6647%0.47437%0.367SS..G310 helixtrans-60-25.1176.6-24.535.1000113.9A70A70-P74 WeakPolarHBondContact O-CD 3.49Å; A70-P74 WeakPolarHBondContact O-CG 3.44Å
75N85Confident82.5Confident36 Ų3666 Ų6619%0.19336%0.361CS..G310 helixtrans-96-2.5-176.4-67.8-59.4000113.3A71 S72 V73 F77 S78 K81 H84A71-N75 PolarHBondContact O-ND2 2.95Å; S72-N75 PolarHBondContact O-N 3.26Å; V73-N75 PolarHBondContact O-N 2.98Å; V73-N75 VanDerWaalsContact O-N 3.1Å; N75-F77 PolarHBondContact O-N 3.26Å; N75-S78 WeakPolarHBondContact O-CB 3.21Å; N75-S78 PolarHBondContact O-N 3.37Å; N75-S78 VanDerWaalsContact O-N 3.15Å; N75-K81 HydrophobicContact CB-CB 4.46Å; N75-K81 HydrophobicContact CB-CD 3.66Å; N75-K81 VanDerWaalsContact OD1-CD 3.32Å; N75-K81 WeakPolarHBondContact OD1-CD 3.39Å; N75-K81 PolarHBondContact OD1-NZ 3.28Å; N75-H84 HydrophobicContact CB-CB 4.16Å
76Y82.3Confident82.4Confident18 Ų1867.5 Ų67.57%0.07137%0.373CS..THydrogen-bonded Turntrans-60-42.7-173.4-179.1-89.2000113.1S72 V73 R85 L88 D89 Y106 P135S72-Y76 PolarHBondContact O-N 2.85Å; V73-Y76 VanDerWaalsContact O-CB 3.32Å; V73-Y76 WeakPolarHBondContact O-CB 3.21Å; V73-Y76 PolarHBondContact O-N 2.88Å; V73-Y76 VanDerWaalsContact O-N 3.13Å; Y76-R85 HydrophobicContact CD2-CB 4.38Å; Y76-R85 HydrophobicContact CD2-CG 4.09Å; Y76-R85 HydrophobicContact CE1-CG 4.35Å; Y76-R85 HydrophobicContact CE2-CB 4.3Å; Y76-R85 HydrophobicContact CE2-CG 3.59Å; Y76-L88 HydrophobicContact CD2-CB 3.9Å; Y76-L88 HydrophobicContact CD2-CD1 3.68Å; Y76-L88 HydrophobicContact CD2-CG 4.42Å; Y76-L88 HydrophobicContact CE2-CB 4.13Å; Y76-L88 HydrophobicContact CG-CD1 4.32Å; Y76-D89 PolarHBondContact OH-OD1 3.34Å; Y76-Y106 HydrophobicContact CD1-CD1 4.46Å; Y76-Y106 HydrophobicContact CD1-CE1 4.02Å; Y76-Y106 HydrophobicContact CD2-CE1 4.06Å; Y76-Y106 HydrophobicContact CG-CD1 4.47Å; Y76-Y106 AromaticContact CG-CE1 3.72Å; Y76-Y106 HydrophobicContact CG-CE1 3.72Å; Y76-P135 HydrophobicContact CD1-CG 4.25Å; Y76-P135 HydrophobicContact CD2-CG 4.39Å; Y76-P135 HydrophobicContact CE1-CB 4.08Å; Y76-P135 HydrophobicContact CE1-CG 3.73Å; Y76-P135 HydrophobicContact CE2-CB 4.19Å; Y76-P135 HydrophobicContact CE2-CG 3.85Å; Y76-P135 WeakPolarHBondContact OH-CB 3.39Å
77F76.1Confident82.4Confident51 Ų5167.4 Ų67.422%0.22437%0.372CS..THydrogen-bonded Turntrans-91.57179.7-59.3-68.1000113.8N75 Y106 A109 L113 L133N75-F77 PolarHBondContact O-N 3.26Å; F77-Y106 HydrophobicContact CE2-CD1 4.04Å; F77-Y106 HydrophobicContact CZ-CD1 4.37Å; F77-A109 HydrophobicContact CD2-CB 3.95Å; F77-A109 HydrophobicContact CE2-CB 4.25Å; F77-L113 HydrophobicContact CB-CB 4.38Å; F77-L113 HydrophobicContact CB-CD1 4.22Å; F77-L113 HydrophobicContact CB-CD2 3.94Å; F77-L113 HydrophobicContact CB-CG 4.41Å; F77-L113 HydrophobicContact CD1-CD2 4.22Å; F77-L113 HydrophobicContact CG-CD2 4.02Å; F77-L133 HydrophobicContact CD1-CD2 4.12Å; F77-L133 HydrophobicContact CE1-CD2 3.65Å; F77-L133 HydrophobicContact CE1-CG 4.34Å; F77-L133 HydrophobicContact CE2-CD2 4.16Å; F77-L133 HydrophobicContact CZ-CB 4.31Å; F77-L133 HydrophobicContact CZ-CD2 3.68Å; F77-L133 HydrophobicContact CZ-CG 4.1Å
78S78.5Confident82.5Confident50 Ų5061 Ų6135%0.3534%0.344SS..  trans-78.5129.6179.8-176.50000110.6N75 N80 K81N75-S78 WeakPolarHBondContact O-CB 3.21Å; N75-S78 PolarHBondContact O-N 3.37Å; N75-S78 VanDerWaalsContact O-N 3.15Å; S78-N80 PolarHBondContact O-N 3.15Å; S78-K81 PolarHBondContact O-N 3.37Å
79T66.5Low82.3Confident130 Ų13058.6 Ų58.680%0.79833%0.331SS*.THydrogen-bonded Turntrans-59.9-27.2-176.944.60000114
80N67.1Low81.9Confident148 Ų14864.5 Ų64.579%0.79136%0.359SS*.THydrogen-bonded Turntrans-96.53.6-175.1-68.6-9.2000114.2S78S78-N80 PolarHBondContact O-N 3.15Å
81K69.3Low81.8Confident84 Ų8461.6 Ų61.637%0.36533%0.334SS..  trans-128.452.1-165.6-73.3-170.7-177.9-174.50113.5N75 S78 V83 H84N75-K81 HydrophobicContact CB-CB 4.46Å; N75-K81 HydrophobicContact CB-CD 3.66Å; N75-K81 VanDerWaalsContact OD1-CD 3.32Å; N75-K81 WeakPolarHBondContact OD1-CD 3.39Å; N75-K81 PolarHBondContact OD1-NZ 3.28Å; S78-K81 PolarHBondContact O-N 3.37Å; K81-V83 PolarHBondContact O-N 3.28Å; K81-V83 VanDerWaalsContact O-N 3.12Å; K81-H84 PolarHBondContact O-N 3.18Å; K81-H84 VanDerWaalsContact O-N 3.15Å
82T78.7Confident81.6Confident82 Ų8259 Ų5950%0.50331%0.312SS..Hα-helixtrans-55.7-29.5178.855.90000113.5H84 R85 N86T82-H84 PolarHBondContact O-N 2.77Å; T82-R85 PolarHBondContact O-N 2.95Å; T82-N86 WeakPolarHBondContact O-CB 3.35Å; T82-N86 VanDerWaalsContact O-CG 3.24Å; T82-N86 PolarHBondContact O-N 2.87Å
83V85Confident81Confident111 Ų11165.6 Ų65.667%0.67334%0.336SS*.Hα-helixtrans-59.8-45.4177.6-179.70000112K81 R85 F87K81-V83 PolarHBondContact O-N 3.28Å; K81-V83 VanDerWaalsContact O-N 3.12Å; V83-R85 VanDerWaalsContact C-N 3.34Å; V83-F87 WeakPolarHBondContact O-CB 3.33Å; V83-F87 PolarHBondContact O-N 3.01Å
84H85.2Confident80.7Confident52 Ų5268.5 Ų68.524%0.24136%0.357CS..Hα-helixtrans-68.3-37.1179.5-70-75.6000111.6S72 N75 K81 T82 L88S72-H84 WeakPolarHBondContact CA-ND1 3.35Å; S72-H84 WeakPolarHBondContact CB-ND1 3.39Å; S72-H84 PolarHBondContact OG-ND1 2.69Å; S72-H84 VanDerWaalsContact OG-ND1 3.09Å; N75-H84 HydrophobicContact CB-CB 4.16Å; K81-H84 PolarHBondContact O-N 3.18Å; K81-H84 VanDerWaalsContact O-N 3.15Å; T82-H84 PolarHBondContact O-N 2.77Å; H84-L88 WeakPolarHBondContact O-CB 3.48Å; H84-L88 WeakPolarHBondContact O-CG 3.5Å; H84-L88 PolarHBondContact O-N 3.35Å
85R82.4Confident80.5Confident93 Ų9367.9 Ų67.935%0.35135%0.347SS..Hα-helixtrans-62.2-54.9175.1-164.9-175.186.9-174.55.9111Y76 T82 V83 F87 L88 D89Y76-R85 HydrophobicContact CD2-CB 4.38Å; Y76-R85 HydrophobicContact CD2-CG 4.09Å; Y76-R85 HydrophobicContact CE1-CG 4.35Å; Y76-R85 HydrophobicContact CE2-CB 4.3Å; Y76-R85 HydrophobicContact CE2-CG 3.59Å; T82-R85 PolarHBondContact O-N 2.95Å; V83-R85 VanDerWaalsContact C-N 3.34Å; R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 2.86Å; R85-L88 PolarHBondContact O-N 2.96Å; R85-D89 VanDerWaalsContact O-CB 3.32Å; R85-D89 WeakPolarHBondContact O-CB 3.09Å; R85-D89 PolarHBondContact O-N 2.96Å
86N83.6Confident80.1Confident87 Ų8769.1 Ų69.147%0.46536%0.358SS..Hα-helixtrans-60.8-40.3-179.4-68.8-8.5000111.9T82 H90T82-N86 WeakPolarHBondContact O-CB 3.35Å; T82-N86 VanDerWaalsContact O-CG 3.24Å; T82-N86 PolarHBondContact O-N 2.87Å; N86-H90 WeakPolarHBondContact O-CB 3.13Å; N86-H90 PolarHBondContact O-N 2.69Å
87F87.6Confident80.1Confident66 Ų6668.4 Ų68.429%0.28936%0.356SS..Hα-helixtrans-61.9-52175.5170.2-100.7000111.8W65 I68 V83 R85 H90 V91W65-F87 AromaticContact CZ3-CZ 3.95Å; W65-F87 HydrophobicContact CZ3-CZ 3.95Å; I68-F87 HydrophobicContact CG2-CE1 3.5Å; I68-F87 VanDerWaalsContact CG2-CE1 3.5Å; I68-F87 HydrophobicContact CG2-CZ 3.48Å; I68-F87 VanDerWaalsContact CG2-CZ 3.48Å; V83-F87 WeakPolarHBondContact O-CB 3.33Å; V83-F87 PolarHBondContact O-N 3.01Å; R85-F87 VanDerWaalsContact C-N 3.31Å; R85-F87 PolarHBondContact O-N 2.86Å; F87-H90 PolarHBondContact O-N 3.16Å; F87-V91 HydrophobicContact CD2-CG2 4.26Å; F87-V91 HydrophobicContact CE1-CG2 4.27Å; F87-V91 HydrophobicContact CE2-CG2 3.82Å; F87-V91 HydrophobicContact CZ-CG2 3.83Å; F87-V91 WeakPolarHBondContact O-CG2 3.41Å; F87-V91 PolarHBondContact O-N 2.99Å
88L87.8Confident80.4Confident0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-65.4-41.9-179.1-74.3170.9000111.7F69 V73 Y76 H84 R85 H90 V91 Q92F69-L88 HydrophobicContact CD1-CD2 3.65Å; F69-L88 HydrophobicContact CE1-CD2 3.63Å; F69-L88 HydrophobicContact CG-CD2 4.32Å; F69-L88 HydrophobicContact CZ-CD2 4.26Å; V73-L88 HydrophobicContact CG2-CD1 4.04Å; V73-L88 HydrophobicContact CG2-CD2 4.3Å; Y76-L88 HydrophobicContact CD2-CB 3.9Å; Y76-L88 HydrophobicContact CD2-CD1 3.68Å; Y76-L88 HydrophobicContact CD2-CG 4.42Å; Y76-L88 HydrophobicContact CE2-CB 4.13Å; Y76-L88 HydrophobicContact CG-CD1 4.32Å; H84-L88 WeakPolarHBondContact O-CB 3.48Å; H84-L88 WeakPolarHBondContact O-CG 3.5Å; H84-L88 PolarHBondContact O-N 3.35Å; R85-L88 PolarHBondContact O-N 2.96Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.13Å; L88-V91 PolarHBondContact O-N 3.15Å; L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.46Å; L88-Q92 VanDerWaalsContact O-CG 3.23Å; L88-Q92 WeakPolarHBondContact O-CG 3.06Å; L88-Q92 PolarHBondContact O-N 2.92Å
89D83.1Confident80.7Confident7 Ų763.6 Ų63.64%0.03733%0.329CS..Hα-helixtrans-59.1-42.8174.7-80.4-22000111.8Y76 R85 R93 T137Y76-D89 PolarHBondContact OH-OD1 3.34Å; R85-D89 VanDerWaalsContact O-CB 3.32Å; R85-D89 WeakPolarHBondContact O-CB 3.09Å; R85-D89 PolarHBondContact O-N 2.96Å; D89-R93 VanDerWaalsContact O-CB 3.32Å; D89-R93 WeakPolarHBondContact O-CB 3.19Å; D89-R93 WeakPolarHBondContact O-CG 2.99Å; D89-R93 PolarHBondContact O-N 3.45Å; D89-T137 HydrophobicContact CB-CG2 3.87Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.09Å; D89-T137 PolarHBondContact OD1-OG1 2.96Å
90H82.6Confident81.8Confident127 Ų12757.7 Ų57.759%0.58829%0.292SS*.Hα-helixtrans-64.5-46.7177.8179.968.1000111.7N86 F87 L88 S94N86-H90 WeakPolarHBondContact O-CB 3.13Å; N86-H90 PolarHBondContact O-N 2.69Å; F87-H90 PolarHBondContact O-N 3.16Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.13Å; H90-S94 VanDerWaalsContact O-CB 3.27Å; H90-S94 WeakPolarHBondContact O-CB 3.42Å; H90-S94 PolarHBondContact O-N 2.69Å; H90-S94 PolarHBondContact O-OG 2.85Å
91V84.9Confident82.7Confident6 Ų656.8 Ų56.84%0.03628%0.281CS..Hα-helixtrans-63.6-46.6178.9175.20000110.5W65 F69 F87 L88 R93 S94 F95 I203W65-V91 HydrophobicContact CZ3-CG2 4.32Å; F69-V91 HydrophobicContact CE2-CG1 4.03Å; F69-V91 HydrophobicContact CZ-CB 4.47Å; F69-V91 HydrophobicContact CZ-CG1 3.61Å; F87-V91 HydrophobicContact CD2-CG2 4.26Å; F87-V91 HydrophobicContact CE1-CG2 4.27Å; F87-V91 HydrophobicContact CE2-CG2 3.82Å; F87-V91 HydrophobicContact CZ-CG2 3.83Å; F87-V91 WeakPolarHBondContact O-CG2 3.41Å; F87-V91 PolarHBondContact O-N 2.99Å; L88-V91 PolarHBondContact O-N 3.15Å; V91-R93 PolarHBondContact O-N 2.93Å; V91-S94 PolarHBondContact O-N 3.44Å; V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 4.24Å; V91-F95 VanDerWaalsContact O-CD2 3.3Å; V91-F95 WeakPolarHBondContact O-CD2 3.29Å; V91-F95 PolarHBondContact O-N 3.48Å; V91-I203 HydrophobicContact CG1-CD1 3.9Å
92Q84.3Confident83.3Confident1 Ų153.1 Ų53.11%0.00527%0.267CS..Hα-helixtrans-65.2-40.2-178.6-73.3176.2-23.200113L88 S96 C97 Y106 T137L88-Q92 VanDerWaalsContact O-CB 3.29Å; L88-Q92 WeakPolarHBondContact O-CB 3.46Å; L88-Q92 VanDerWaalsContact O-CG 3.23Å; L88-Q92 WeakPolarHBondContact O-CG 3.06Å; L88-Q92 PolarHBondContact O-N 2.92Å; Q92-S96 WeakPolarHBondContact O-CA 3.42Å; Q92-S96 PolarHBondContact O-N 2.8Å; Q92-C97 WeakPolarHBondContact CB-O 3.43Å; Q92-C97 WeakPolarHBondContact CG-O 3.3Å; Q92-C97 PolarHBondContact O-N 3.25Å; Q92-Y106 PolarHBondContact NE2-OH 2.75Å; Q92-Y106 PolarHBondContact OE1-OH 2.93Å; Q92-T137 PolarHBondContact OE1-OG1 3.22Å; Q92-T137 VanDerWaalsContact OE1-OG1 3.13Å
93R77.8Confident83.2Confident147 Ų14749.9 Ų49.956%0.55525%0.247SC*.Hα-helixtrans-64.9-44.3172.4-72.4176-167.5177.86.6111.8D89 V91 F95 T137D89-R93 VanDerWaalsContact O-CB 3.32Å; D89-R93 WeakPolarHBondContact O-CB 3.19Å; D89-R93 WeakPolarHBondContact O-CG 2.99Å; D89-R93 PolarHBondContact O-N 3.45Å; V91-R93 PolarHBondContact O-N 2.93Å; R93-F95 VanDerWaalsContact C-N 3.35Å; R93-F95 PolarHBondContact O-N 3.46Å; R93-T137 HydrophobicContact CG-CG2 3.9Å
94S80.9Confident82.7Confident69 Ų6948.8 Ų48.848%0.48324%0.235SC..Hα-helixtrans-66.4-37.5-176.1-58.60000112.4H90 V91H90-S94 VanDerWaalsContact O-CB 3.27Å; H90-S94 WeakPolarHBondContact O-CB 3.42Å; H90-S94 PolarHBondContact O-N 2.69Å; H90-S94 PolarHBondContact O-OG 2.85Å; V91-S94 PolarHBondContact O-N 3.44Å
95F81Confident82.6Confident61 Ų6148.8 Ų48.827%0.26824%0.237SC..Hα-helixtrans-103.74-177.3-67.6-71.9000114.2V91 R93 C97 P202 I203 A206V91-F95 HydrophobicContact CG1-CD2 3.81Å; V91-F95 HydrophobicContact CG1-CE2 4.24Å; V91-F95 VanDerWaalsContact O-CD2 3.3Å; V91-F95 WeakPolarHBondContact O-CD2 3.29Å; V91-F95 PolarHBondContact O-N 3.48Å; R93-F95 VanDerWaalsContact C-N 3.35Å; R93-F95 PolarHBondContact O-N 3.46Å; F95-C97 VanDerWaalsContact C-N 3.26Å; F95-C97 HydrophobicContact CB-CB 4.4Å; F95-C97 WeakPolarHBondContact CB-SG 3.2Å; F95-C97 PolarHBondContact O-N 2.82Å; F95-P202 HydrophobicContact CB-CB 4.23Å; F95-P202 HydrophobicContact CB-CG 4.23Å; F95-P202 HydrophobicContact CD1-CB 4.29Å; F95-I203 HydrophobicContact CD1-CG1 4.24Å; F95-I203 HydrophobicContact CD2-CD1 4.38Å; F95-I203 HydrophobicContact CD2-CG1 3.74Å; F95-I203 HydrophobicContact CE1-CG1 4.34Å; F95-I203 HydrophobicContact CE2-CG1 3.84Å; F95-I203 HydrophobicContact CG-CG1 3.95Å; F95-I203 HydrophobicContact CZ-CG1 4.15Å; F95-A206 HydrophobicContact CD1-CB 4.36Å; F95-A206 HydrophobicContact CE1-CB 3.52Å; F95-A206 HydrophobicContact CZ-CB 4.36Å
96S78.3Confident82.4Confident62 Ų6244.4 Ų44.443%0.43422%0.22SC..THydrogen-bonded Turntrans52.443.4179.3-69.40000113.4Q92 Q140Q92-S96 WeakPolarHBondContact O-CA 3.42Å; Q92-S96 PolarHBondContact O-N 2.8Å; S96-Q140 VanDerWaalsContact CA-NE2 3.29Å; S96-Q140 PolarHBondContact OG-NE2 3.14Å
97C80.8Confident81.8Confident3 Ų345.2 Ų45.22%0.0222%0.217CC..  trans-133.5167.1-168.961.20000112.1Q92 F95 S197 C199 P202Q92-C97 WeakPolarHBondContact CB-O 3.43Å; Q92-C97 WeakPolarHBondContact CG-O 3.3Å; Q92-C97 PolarHBondContact O-N 3.25Å; F95-C97 VanDerWaalsContact C-N 3.26Å; F95-C97 HydrophobicContact CB-CB 4.4Å; F95-C97 WeakPolarHBondContact CB-SG 3.2Å; F95-C97 PolarHBondContact O-N 2.82Å; C97-S197 WeakPolarHBondContact CB-O 3.12Å; C97-C199 HydrophobicContact CB-CB 3.81Å; C97-C199 WeakPolarHBondContact CB-SG 3.42Å; C97-C199 WeakPolarHBondContact SG-CA 3.43Å; C97-C199 WeakPolarHBondContact SG-CB 3.34Å; C97-C199 CovalentContact SG-SG 2.02Å; C97-C199 PolarHBondContact SG-SG 3.32Å; C97-P202 HydrophobicContact CB-CG 4Å
98C82.9Confident81.1Confident0 Ų046.5 Ų46.50%023%0.227CC..  trans-134.4126.4176.1-170.60000112.9G102 P103 C138 S196 S197C98-G102 CarbonylContact O-C 3.03Å; C98-G102 WeakPolarHBondContact O-CA 3.21Å; C98-P103 HydrophobicContact CB-CB 4.42Å; C98-C138 WeakPolarHBondContact CA-SG 3.27Å; C98-C138 HydrophobicContact CB-CB 3.43Å; C98-C138 VanDerWaalsContact CB-CB 3.43Å; C98-C138 WeakPolarHBondContact CB-SG 3.23Å; C98-C138 WeakPolarHBondContact SG-CB 3.29Å; C98-C138 CovalentContact SG-SG 2.02Å; C98-C138 PolarHBondContact SG-SG 3Å; C98-S196 WeakPolarHBondContact CB-OG 3.47Å; C98-S197 PolarHBondContact N-O 3.21Å; C98-S197 VanDerWaalsContact N-O 3.13Å
99G85.2Confident80.4Confident0 Ų046.8 Ų46.80%023%0.229CC..SBendtrans59.7176.6-171.700000112.6G102 C199G99-G102 WeakPolarHBondContact CA-O 3.32Å; G99-C199 WeakPolarHBondContact O-CB 3.5Å; G99-C199 PolarHBondContact O-N 3.4Å; G99-C199 PolarHBondContact O-SG 2.95Å
100F89Confident79.6Confident6 Ų646.4 Ų46.43%0.02623%0.227CC..SBendtrans-75.3-57175.4-173.5-110.5000111.2A62 W65 E66 F69 D105 G198 C199 E200A62-F100 WeakPolarHBondContact O-CZ 3.32Å; W65-F100 HydrophobicContact CB-CD2 4.41Å; W65-F100 HydrophobicContact CB-CE2 3.66Å; W65-F100 HydrophobicContact CB-CZ 4.35Å; E66-F100 HydrophobicContact CB-CD1 3.97Å; E66-F100 HydrophobicContact CB-CE1 3.46Å; E66-F100 VanDerWaalsContact CB-CE1 3.46Å; E66-F100 HydrophobicContact CB-CZ 3.8Å; E66-F100 HydrophobicContact CG-CD1 3.89Å; E66-F100 HydrophobicContact CG-CE1 3.72Å; F69-F100 HydrophobicContact CB-CB 3.75Å; F69-F100 HydrophobicContact CB-CD2 4.39Å; F69-F100 HydrophobicContact CB-CG 4.23Å; F69-F100 HydrophobicContact CD1-CB 3.75Å; F69-F100 HydrophobicContact CD2-CB 4.34Å; F69-F100 AromaticContact CD2-CD2 3.82Å; F69-F100 HydrophobicContact CD2-CD2 3.82Å; F69-F100 HydrophobicContact CD2-CG 4.44Å; F69-F100 HydrophobicContact CE1-CB 4.38Å; F69-F100 HydrophobicContact CE2-CD2 4.17Å; F69-F100 HydrophobicContact CG-CB 3.71Å; F69-F100 HydrophobicContact CG-CD2 4.05Å; F69-F100 HydrophobicContact CG-CG 4.22Å; F100-D105 WeakPolarHBondContact CA-OD2 3.48Å; F100-D105 WeakPolarHBondContact CB-OD2 3.48Å; F100-D105 PolarHBondContact N-OD2 3.29Å; F100-G198 CarbonylContact O-C 3.23Å; F100-G198 VanDerWaalsContact O-C 3.23Å; F100-G198 WeakPolarHBondContact O-CA 3.4Å; F100-C199 PolarHBondContact O-N 2.82Å; F100-E200 HydrophobicContact CD1-CB 4.44Å; F100-E200 HydrophobicContact CD2-CB 4.35Å; F100-E200 HydrophobicContact CE1-CB 4.07Å; F100-E200 HydrophobicContact CE1-CG 4.09Å; F100-E200 HydrophobicContact CE2-CB 3.99Å; F100-E200 HydrophobicContact CE2-CG 4.35Å; F100-E200 HydrophobicContact CZ-CB 3.84Å; F100-E200 HydrophobicContact CZ-CG 3.79Å; F100-E200 WeakPolarHBondContact O-CB 3.39Å; F100-E200 PolarHBondContact O-N 3.48Å
101K85.7Confident78.8Confident128 Ų12846.7 Ų46.756%0.55722%0.223SC*.SBendtrans-88.4-24.8175.5-66.8-179.4-178.6167.70112E66 D105E66-K101 VanDerWaalsContact OE1-CE 3.3Å; E66-K101 WeakPolarHBondContact OE1-CE 3.37Å; E66-K101 IonicContact OE1-NZ 2.76Å; E66-K101 PolarHBondContact OE1-NZ 3.09Å; K101-D105 PolarHBondContact N-OD2 3.15Å
102G81.5Confident78Confident7 Ų750.3 Ų50.37%0.07224%0.242CC..  trans162.4-177.5178.900000112.5C98 G99 E104 D105C98-G102 CarbonylContact O-C 3.03Å; C98-G102 WeakPolarHBondContact O-CA 3.21Å; G99-G102 WeakPolarHBondContact CA-O 3.32Å; G102-E104 PolarHBondContact O-N 3.01Å; G102-E104 VanDerWaalsContact O-N 3.1Å; G102-D105 WeakPolarHBondContact O-CB 3.3Å; G102-D105 PolarHBondContact O-N 3.03Å
103P76.7Confident77.2Confident14 Ų1452.7 Ų52.79%0.09125%0.254CS..G310 helixtrans-61.4-23.2-178.625.5-35.2000113.3C98 D105 Y106 L132 V134 L193 S196C98-P103 HydrophobicContact CB-CB 4.42Å; P103-D105 PolarHBondContact O-N 2.93Å; P103-Y106 PolarHBondContact O-N 2.76Å; P103-L132 HydrophobicContact CB-CD2 4.19Å; P103-V134 HydrophobicContact CB-CG1 3.69Å; P103-L193 HydrophobicContact CB-CD2 3.74Å; P103-L193 HydrophobicContact CG-CD2 4.06Å; P103-S196 WeakPolarHBondContact CD-OG 3.45Å
104E75.9Confident76.3Confident89 Ų8947.1 Ų47.142%0.41624%0.235SC..G310 helixtrans-61.2-19.3175.3-66.7-63.9154.900113.8G102 Y106 R107G102-E104 PolarHBondContact O-N 3.01Å; G102-E104 VanDerWaalsContact O-N 3.1Å; E104-Y106 PolarHBondContact O-N 2.86Å; E104-R107 WeakPolarHBondContact O-CB 3.24Å; E104-R107 PolarHBondContact O-N 2.99Å; E104-R107 IonicContact OE2-CZ 3.16Å; E104-R107 IonicContact OE2-NE 2.99Å; E104-R107 IonicContact OE2-NH1 2.95Å; E104-R107 PolarHBondContact OE2-NH1 3.35Å
105D82.4Confident75.6Confident52 Ų5251 Ų5128%0.27824%0.244SC..G310 helixtrans-62.1-28.1176.4-68-16.1000111.7V73 F100 K101 G102 P103 R107V73-D105 HydrophobicContact CG1-CB 4.43Å; V73-D105 WeakPolarHBondContact CG1-O 3.32Å; F100-D105 WeakPolarHBondContact CA-OD2 3.48Å; F100-D105 WeakPolarHBondContact CB-OD2 3.48Å; F100-D105 PolarHBondContact N-OD2 3.29Å; K101-D105 PolarHBondContact N-OD2 3.15Å; G102-D105 WeakPolarHBondContact O-CB 3.3Å; G102-D105 PolarHBondContact O-N 3.03Å; P103-D105 PolarHBondContact O-N 2.93Å; D105-R107 VanDerWaalsContact C-N 3.27Å; D105-R107 PolarHBondContact O-N 3.2Å
106Y77.5Confident74.9Confident0 Ų053.6 Ų53.60%027%0.265CS..G310 helixtrans-77.9-9177-72.8-82.9000113.9V73 Y76 F77 Q92 P103 E104 D108 A109 A110 L133 P135V73-Y106 HydrophobicContact CG1-CD1 3.9Å; V73-Y106 HydrophobicContact CG1-CE1 4.03Å; V73-Y106 HydrophobicContact CG1-CG 4.25Å; Y76-Y106 HydrophobicContact CD1-CD1 4.46Å; Y76-Y106 HydrophobicContact CD1-CE1 4.02Å; Y76-Y106 HydrophobicContact CD2-CE1 4.06Å; Y76-Y106 HydrophobicContact CG-CD1 4.47Å; Y76-Y106 AromaticContact CG-CE1 3.72Å; Y76-Y106 HydrophobicContact CG-CE1 3.72Å; F77-Y106 HydrophobicContact CE2-CD1 4.04Å; F77-Y106 HydrophobicContact CZ-CD1 4.37Å; Q92-Y106 PolarHBondContact NE2-OH 2.75Å; Q92-Y106 PolarHBondContact OE1-OH 2.93Å; P103-Y106 PolarHBondContact O-N 2.76Å; E104-Y106 PolarHBondContact O-N 2.86Å; Y106-D108 VanDerWaalsContact C-N 3.33Å; Y106-D108 PolarHBondContact O-N 3.47Å; Y106-A109 PolarHBondContact O-N 3.12Å; Y106-A110 VanDerWaalsContact O-CB 3.25Å; Y106-A110 WeakPolarHBondContact O-CB 3.23Å; Y106-A110 PolarHBondContact O-N 3.2Å; Y106-L133 WeakPolarHBondContact CB-O 3.21Å; Y106-P135 HydrophobicContact CD1-CG 4.04Å; Y106-P135 HydrophobicContact CD2-CG 4.32Å; Y106-P135 HydrophobicContact CE1-CG 3.42Å; Y106-P135 VanDerWaalsContact CE1-CG 3.42Å; Y106-P135 HydrophobicContact CE2-CG 3.75Å; Y106-P135 HydrophobicContact CG-CG 4.45Å; Y106-P135 WeakPolarHBondContact OH-CG 3.06Å
107R70.9Confident74Confident105 Ų10555.4 Ų55.440%0.39627%0.265SS..Hα-helixtrans-56.2-43.6-174177.5171.252-155.2-4.2113.1E104 D105 R111 L132E104-R107 WeakPolarHBondContact O-CB 3.24Å; E104-R107 PolarHBondContact O-N 2.99Å; E104-R107 IonicContact OE2-CZ 3.16Å; E104-R107 IonicContact OE2-NE 2.99Å; E104-R107 IonicContact OE2-NH1 2.95Å; E104-R107 PolarHBondContact OE2-NH1 3.35Å; D105-R107 VanDerWaalsContact C-N 3.27Å; D105-R107 PolarHBondContact O-N 3.2Å; R107-R111 WeakPolarHBondContact O-CB 3.23Å; R107-R111 VanDerWaalsContact O-CG 3.27Å; R107-R111 WeakPolarHBondContact O-CG 3.44Å; R107-R111 PolarHBondContact O-N 3.35Å; R107-L132 HydrophobicContact CB-CD1 4.45Å
108D73.8Confident72.9Confident93 Ų9362.2 Ų62.250%0.49730%0.301SS..Hα-helixtrans-76.5-36.5-178.4-67.5-28.9000112Y106 A110 R111 N112Y106-D108 VanDerWaalsContact C-N 3.33Å; Y106-D108 PolarHBondContact O-N 3.47Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-R111 PolarHBondContact O-N 3.38Å; D108-R111 IonicContact OD1-NH1 2.68Å; D108-R111 PolarHBondContact OD1-NH1 2.79Å; D108-N112 WeakPolarHBondContact O-CB 3.24Å; D108-N112 VanDerWaalsContact O-CG 3.26Å; D108-N112 PolarHBondContact O-N 3.1Å; D108-N112 PolarHBondContact O-ND2 3.44Å
109A72.9Confident71.3Confident5 Ų563 Ų634%0.04131%0.306CS..Hα-helixtrans-61.7-43.8172.400000111.2V73 F77 Y106 N112 L113V73-A109 WeakPolarHBondContact O-CB 3.13Å; F77-A109 HydrophobicContact CD2-CB 3.95Å; F77-A109 HydrophobicContact CE2-CB 4.25Å; Y106-A109 PolarHBondContact O-N 3.12Å; A109-N112 PolarHBondContact O-N 2.89Å; A109-L113 PolarHBondContact O-N 3.35Å
110A67Low69.4Low0 Ų069.4 Ų69.40%034%0.336CS..Hα-helixtrans-63.2-46.8175.400000111.7Y106 D108 N112 L113 L114 L133Y106-A110 VanDerWaalsContact O-CB 3.25Å; Y106-A110 WeakPolarHBondContact O-CB 3.23Å; Y106-A110 PolarHBondContact O-N 3.2Å; D108-A110 VanDerWaalsContact C-N 3.34Å; A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 3.06Å; A110-L113 PolarHBondContact O-N 2.89Å; A110-L114 VanDerWaalsContact O-CG 3.27Å; A110-L114 WeakPolarHBondContact O-CG 3.33Å; A110-L114 PolarHBondContact O-N 2.98Å; A110-L133 HydrophobicContact CB-CB 3.54Å
111R65.3Low67Low132 Ų13270.4 Ų70.450%0.49834%0.343SS..Hα-helixtrans-59.7-41.7175.9-79.6173.3-179.2166.6-3.9112.2R107 D108 L114 K115R107-R111 WeakPolarHBondContact O-CB 3.23Å; R107-R111 VanDerWaalsContact O-CG 3.27Å; R107-R111 WeakPolarHBondContact O-CG 3.44Å; R107-R111 PolarHBondContact O-N 3.35Å; D108-R111 PolarHBondContact O-N 3.38Å; D108-R111 IonicContact OD1-NH1 2.68Å; D108-R111 PolarHBondContact OD1-NH1 2.79Å; R111-L114 PolarHBondContact O-N 3.43Å; R111-K115 WeakPolarHBondContact O-CB 3.31Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.36Å; R111-K115 PolarHBondContact O-N 3.35Å
112N69.2Low64.7Low83 Ų8368.4 Ų68.444%0.44433%0.334SS..Hα-helixtrans-65.3-43.3178-73.3-19.7000111.1D108 A109 A110 L114 K115 T116D108-N112 WeakPolarHBondContact O-CB 3.24Å; D108-N112 VanDerWaalsContact O-CG 3.26Å; D108-N112 PolarHBondContact O-N 3.1Å; D108-N112 PolarHBondContact O-ND2 3.44Å; A109-N112 PolarHBondContact O-N 2.89Å; A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 3.06Å; N112-L114 PolarHBondContact O-N 3Å; N112-K115 PolarHBondContact O-N 3.42Å; N112-T116 PolarHBondContact O-N 2.92Å; N112-T116 PolarHBondContact O-OG1 3.29Å
113L65.8Low62.5Low50 Ų5070.5 Ų70.526%0.26235%0.348SS..Hα-helixtrans-58.9-48.5173.9-177.569.7000111.9F77 A109 A110 K115 T116 K117 L133F77-L113 HydrophobicContact CB-CB 4.38Å; F77-L113 HydrophobicContact CB-CD1 4.22Å; F77-L113 HydrophobicContact CB-CD2 3.94Å; F77-L113 HydrophobicContact CB-CG 4.41Å; F77-L113 HydrophobicContact CD1-CD2 4.22Å; F77-L113 HydrophobicContact CG-CD2 4.02Å; A109-L113 PolarHBondContact O-N 3.35Å; A110-L113 PolarHBondContact O-N 2.89Å; L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 2.9Å; L113-T116 PolarHBondContact O-N 3.27Å; L113-K117 HydrophobicContact CD1-CG 4.32Å; L113-K117 WeakPolarHBondContact O-CB 3.14Å; L113-K117 WeakPolarHBondContact O-CG 3.35Å; L113-K117 PolarHBondContact O-N 3.11Å; L113-L133 HydrophobicContact CD2-CD2 3.69Å
114L59.9Low60.6Low31 Ų3176.7 Ų76.716%0.16238%0.38CS..Hα-helixtrans-61.3-38.6179.1-68.7169.7000111.8A110 R111 N112 K117 N118 V119 I131A110-L114 VanDerWaalsContact O-CG 3.27Å; A110-L114 WeakPolarHBondContact O-CG 3.33Å; A110-L114 PolarHBondContact O-N 2.98Å; R111-L114 PolarHBondContact O-N 3.43Å; N112-L114 PolarHBondContact O-N 3Å; L114-K117 PolarHBondContact O-N 3.33Å; L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 VanDerWaalsContact O-N 3.11Å; L114-V119 HydrophobicContact CB-CB 4.43Å; L114-V119 HydrophobicContact CD2-CB 3.71Å; L114-V119 HydrophobicContact CD2-CG1 3.74Å; L114-V119 HydrophobicContact CD2-CG2 4.32Å; L114-V119 PolarHBondContact O-N 3.09Å; L114-I131 HydrophobicContact CD1-CB 4.2Å
115K65.9Low59.2Low151 Ų15180.4 Ų80.466%0.65740%0.395SS*.Hα-helixtrans-64-48.6173-76.5176.9179.4-178.70111.7R111 N112 L113 K117 N118R111-K115 WeakPolarHBondContact O-CB 3.31Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.36Å; R111-K115 PolarHBondContact O-N 3.35Å; N112-K115 PolarHBondContact O-N 3.42Å; L113-K115 VanDerWaalsContact C-N 3.3Å; L113-K115 PolarHBondContact O-N 2.9Å; K115-K117 PolarHBondContact O-N 3.26Å; K115-N118 PolarHBondContact O-N 2.91Å
116T65.7Low57.2Low115 Ų11586.8 Ų86.871%0.70642%0.42SS*.Hα-helixtrans-62-31.8179.3-56.50000112.2N112 L113N112-T116 PolarHBondContact O-N 2.92Å; N112-T116 PolarHBondContact O-OG1 3.29Å; L113-T116 PolarHBondContact O-N 3.27Å
117K60.8Low55Low100 Ų10093 Ų9344%0.43545%0.449SS..THydrogen-bonded Turntrans-92.64.8179.2-68.9-74.9-165.4150.60114.1L113 L114 K115 V119 E159L113-K117 HydrophobicContact CD1-CG 4.32Å; L113-K117 WeakPolarHBondContact O-CB 3.14Å; L113-K117 WeakPolarHBondContact O-CG 3.35Å; L113-K117 PolarHBondContact O-N 3.11Å; L114-K117 PolarHBondContact O-N 3.33Å; K115-K117 PolarHBondContact O-N 3.26Å; K117-V119 HydrophobicContact CB-CG2 3.67Å; K117-V119 WeakPolarHBondContact O-CG2 3.36Å; K117-V119 PolarHBondContact O-N 3.25Å; K117-E159 IonicContact NZ-OE1 2.69Å; K117-E159 PolarHBondContact NZ-OE1 2.85Å; K117-E159 IonicContact NZ-OE2 3.89Å; K117-E159 PolarHBondContact NZ-OE2 2.9Å
118N57.3Low53.3Low145 Ų14597 Ų9778%0.77547%0.469SS*.THydrogen-bonded Turntrans54.134.7-177.4-66.4-37.1000114.8L114 K115L114-N118 PolarHBondContact O-N 3.45Å; L114-N118 VanDerWaalsContact O-N 3.11Å; K115-N118 PolarHBondContact O-N 2.91Å
119V48.7Very low51.5Low17 Ų1794.5 Ų94.510%0.10346%0.462CS..  trans-92.8119.4-176.8-175.50000110.3L114 K117 V156L114-V119 HydrophobicContact CB-CB 4.43Å; L114-V119 HydrophobicContact CD2-CB 3.71Å; L114-V119 HydrophobicContact CD2-CG1 3.74Å; L114-V119 HydrophobicContact CD2-CG2 4.32Å; L114-V119 PolarHBondContact O-N 3.09Å; K117-V119 HydrophobicContact CB-CG2 3.67Å; K117-V119 WeakPolarHBondContact O-CG2 3.36Å; K117-V119 PolarHBondContact O-N 3.25Å; V119-V156 HydrophobicContact CB-CG2 4.15Å; V119-V156 HydrophobicContact CG1-CB 4.38Å; V119-V156 HydrophobicContact CG1-CG1 4.21Å; V119-V156 HydrophobicContact CG1-CG2 3.79Å; V119-V156 HydrophobicContact CG2-CB 4.4Å; V119-V156 HydrophobicContact CG2-CG1 4.29Å; V119-V156 HydrophobicContact CG2-CG2 3.27Å
120Q44.7Very low49.7Very low135 Ų13598 Ų9863%0.63150%0.499SS*.  trans-108.7132.5170.3-61.5-172.315.800110.4F122Q120-F122 HydrophobicContact CB-CE2 3.72Å; Q120-F122 HydrophobicContact CB-CZ 4.22Å
121C40.2Very low48.7Very low27 Ų2799.4 Ų99.418%0.18251%0.506CS..  trans-119.9121.2-177-58.60000110.6A129 I131C121-A129 PolarHBondContact O-N 3Å; C121-A129 VanDerWaalsContact O-N 3.11Å; C121-I131 HydrophobicContact CB-CD1 3.77Å; C121-I131 HydrophobicContact CB-CG1 3.96Å; C121-I131 WeakPolarHBondContact SG-CD1 3.43Å
122F36Very low47.9Very low86 Ų8696 Ų9638%0.37750%0.498SS..BIsolated β-bridgetrans-116133.7179.9-61.2-82.9000109.4Q120 N152Q120-F122 HydrophobicContact CB-CE2 3.72Å; Q120-F122 HydrophobicContact CB-CZ 4.22Å; F122-N152 PolarHBondContact O-ND2 3.27Å
123S35.7Very low47.5Very low51 Ų5193.7 Ų93.736%0.35749%0.485SS..  trans-67.5157.9165.5175.70000109.5K125 K126 Q127S123-K125 PolarHBondContact O-N 3.3Å; S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 PolarHBondContact O-N 2.85Å; S123-Q127 WeakPolarHBondContact CB-O 3.27Å; S123-Q127 PolarHBondContact N-O 3.18Å
124N38Very low47.6Very low143 Ų14392.4 Ų92.477%0.76548%0.479SS*.THydrogen-bonded Turntrans-50-20.8174.2-71.7-7.8000113.9
125K45.2Very low48.1Very low168 Ų16891 Ų9173%0.7347%0.472SS*.THydrogen-bonded Turntrans-88.715.2174-63.4-172.8177.7-177.60114.9S123 Q127S123-K125 PolarHBondContact O-N 3.3Å; K125-Q127 HydrophobicContact CB-CG 4.41Å; K125-Q127 PolarHBondContact O-N 2.77Å
126K41.2Very low48.1Very low185 Ų18587.9 Ų87.980%0.80447%0.465SS*.SBendtrans55.68.2-170.1-61.7-176177.9-179.20115S123S123-K126 WeakPolarHBondContact O-CA 3.45Å; S123-K126 PolarHBondContact O-N 2.85Å
127Q31.1Very low48.3Very low131 Ų13183.3 Ų83.361%0.61244%0.437SS*.SBendtrans-75.8139.8171.6-70-178.8-12.700109S123 K125 A129S123-Q127 WeakPolarHBondContact CB-O 3.27Å; S123-Q127 PolarHBondContact N-O 3.18Å; K125-Q127 HydrophobicContact CB-CG 4.41Å; K125-Q127 PolarHBondContact O-N 2.77Å; Q127-A129 PolarHBondContact O-N 2.92Å
128K35.5Very low48.7Very low188 Ų18878.9 Ų78.982%0.81742%0.419SS*.BIsolated β-bridgetrans-56.6109.7174.2-72.6-178178.4177.80108.5G130K128-G130 PolarHBondContact O-N 3.39Å
129A34.7Very low49.1Very low41 Ų4173.6 Ų73.634%0.33939%0.393SS..PPolyproline II helixtrans-79.3120.3173.700000107.3C121 Q127 I131C121-A129 PolarHBondContact O-N 3Å; C121-A129 VanDerWaalsContact O-N 3.11Å; Q127-A129 PolarHBondContact O-N 2.92Å; A129-I131 PolarHBondContact O-N 3.27Å
130G36.2Very low49.4Very low80 Ų8077.2 Ų77.283%0.82541%0.409SS*.PPolyproline II helixtrans-67.6120.7169.800000109.2K128K128-G130 PolarHBondContact O-N 3.39Å
131I45.3Very low49.4Very low29 Ų2974 Ų7415%0.14941%0.411CS..PPolyproline II helixtrans-87.2120.4166-63.6-171.8000107.6L114 C121 A129 L133 C149L114-I131 HydrophobicContact CD1-CB 4.2Å; C121-I131 HydrophobicContact CB-CD1 3.77Å; C121-I131 HydrophobicContact CB-CG1 3.96Å; C121-I131 WeakPolarHBondContact SG-CD1 3.43Å; A129-I131 PolarHBondContact O-N 3.27Å; I131-L133 HydrophobicContact CG2-CB 4.3Å; I131-L133 HydrophobicContact CG2-CD1 4.17Å; I131-C149 WeakPolarHBondContact CD1-SG 3.32Å
132L49.1Very low49.5Very low61 Ų6176.5 Ų76.532%0.31942%0.423SS..  trans-90.598163.8-171.367.8000107.3P103 R107 V134 L193P103-L132 HydrophobicContact CB-CD2 4.19Å; R107-L132 HydrophobicContact CB-CD1 4.45Å; L132-V134 HydrophobicContact CD2-CG1 4.35Å; L132-V134 HydrophobicContact CG-CG1 4.05Å; L132-L193 HydrophobicContact CD2-CD2 4.36Å
133L61.1Low49.9Very low33 Ų3375.9 Ų75.917%0.17342%0.421CS..  trans-88.2110.3174.7-154.285.2000107.8F77 Y106 A110 L113 I131 I160F77-L133 HydrophobicContact CD1-CD2 4.12Å; F77-L133 HydrophobicContact CE1-CD2 3.65Å; F77-L133 HydrophobicContact CE1-CG 4.34Å; F77-L133 HydrophobicContact CE2-CD2 4.16Å; F77-L133 HydrophobicContact CZ-CB 4.31Å; F77-L133 HydrophobicContact CZ-CD2 3.68Å; F77-L133 HydrophobicContact CZ-CG 4.1Å; Y106-L133 WeakPolarHBondContact CB-O 3.21Å; A110-L133 HydrophobicContact CB-CB 3.54Å; L113-L133 HydrophobicContact CD2-CD2 3.69Å; I131-L133 HydrophobicContact CG2-CB 4.3Å; I131-L133 HydrophobicContact CG2-CD1 4.17Å; L133-I160 HydrophobicContact CD1-CD1 4.18Å
134V66.6Low50.4Low24 Ų2475 Ų7515%0.14541%0.414CS..  trans-111.7153.5176.5-69.10000110.8P103 L132 C138 L193P103-V134 HydrophobicContact CB-CG1 3.69Å; L132-V134 HydrophobicContact CD2-CG1 4.35Å; L132-V134 HydrophobicContact CG-CG1 4.05Å; V134-C138 HydrophobicContact CB-CB 4.26Å; V134-C138 HydrophobicContact CG2-CB 4.42Å; V134-L193 HydrophobicContact CG1-CD2 4.15Å; V134-L193 HydrophobicContact CG2-CD2 4.03Å
135P70.7Confident50.7Low1 Ų172.4 Ų72.41%0.00640%0.4CS..  trans-50.2143.6167-27.734.3000112.6Y76 Y106 T137 C138Y76-P135 HydrophobicContact CD1-CG 4.25Å; Y76-P135 HydrophobicContact CD2-CG 4.39Å; Y76-P135 HydrophobicContact CE1-CB 4.08Å; Y76-P135 HydrophobicContact CE1-CG 3.73Å; Y76-P135 HydrophobicContact CE2-CB 4.19Å; Y76-P135 HydrophobicContact CE2-CG 3.85Å; Y76-P135 WeakPolarHBondContact OH-CB 3.39Å; Y106-P135 HydrophobicContact CD1-CG 4.04Å; Y106-P135 HydrophobicContact CD2-CG 4.32Å; Y106-P135 HydrophobicContact CE1-CG 3.42Å; Y106-P135 VanDerWaalsContact CE1-CG 3.42Å; Y106-P135 HydrophobicContact CE2-CG 3.75Å; Y106-P135 HydrophobicContact CG-CG 4.45Å; Y106-P135 WeakPolarHBondContact OH-CG 3.06Å; P135-T137 WeakPolarHBondContact CB-OG1 3.26Å; P135-T137 PolarHBondContact O-N 3.47Å; P135-C138 VanDerWaalsContact O-CB 3.23Å; P135-C138 WeakPolarHBondContact O-CB 3.41Å; P135-C138 PolarHBondContact O-N 2.95Å
136V67.2Low50.7Low86 Ų8668.5 Ų68.552%0.52139%0.386SS..G310 helixtrans-60.2-28.5172.11800000111C138 C139V136-C138 PolarHBondContact O-N 3.36Å; V136-C139 WeakPolarHBondContact O-CB 3.49Å; V136-C139 PolarHBondContact O-N 3.49Å
137T69.4Low50.6Low19 Ų1965.1 Ų65.112%0.11737%0.373CS..G310 helixtrans-65.7-20.8176.148.10000113.8D89 Q92 R93 P135 C139D89-T137 HydrophobicContact CB-CG2 3.87Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.09Å; D89-T137 PolarHBondContact OD1-OG1 2.96Å; Q92-T137 PolarHBondContact OE1-OG1 3.22Å; Q92-T137 VanDerWaalsContact OE1-OG1 3.13Å; R93-T137 HydrophobicContact CG-CG2 3.9Å; P135-T137 WeakPolarHBondContact CB-OG1 3.26Å; P135-T137 PolarHBondContact O-N 3.47Å; T137-C139 VanDerWaalsContact C-N 3.27Å
138C69.7Low50.9Low6 Ų665 Ų654%0.04138%0.381CS..G310 helixtrans-74-18.7170-71.20000113.6C98 V134 P135 V136 Q140C98-C138 WeakPolarHBondContact CA-SG 3.27Å; C98-C138 HydrophobicContact CB-CB 3.43Å; C98-C138 VanDerWaalsContact CB-CB 3.43Å; C98-C138 WeakPolarHBondContact CB-SG 3.23Å; C98-C138 WeakPolarHBondContact SG-CB 3.29Å; C98-C138 CovalentContact SG-SG 2.02Å; C98-C138 PolarHBondContact SG-SG 3Å; V134-C138 HydrophobicContact CB-CB 4.26Å; V134-C138 HydrophobicContact CG2-CB 4.42Å; P135-C138 VanDerWaalsContact O-CB 3.23Å; P135-C138 WeakPolarHBondContact O-CB 3.41Å; P135-C138 PolarHBondContact O-N 2.95Å; V136-C138 PolarHBondContact O-N 3.36Å; C138-Q140 PolarHBondContact O-N 2.96Å; C138-Q140 VanDerWaalsContact O-N 3.16Å
139C64Low51Low35 Ų3557 Ų5724%0.23635%0.349CS..  trans-88.383.1-170.2-56.20000110.6V136 T137 C144V136-C139 WeakPolarHBondContact O-CB 3.49Å; V136-C139 PolarHBondContact O-N 3.49Å; T137-C139 VanDerWaalsContact C-N 3.27Å; C139-C144 WeakPolarHBondContact CA-SG 3.3Å; C139-C144 HydrophobicContact CB-CB 3.56Å; C139-C144 WeakPolarHBondContact CB-SG 3.29Å; C139-C144 WeakPolarHBondContact SG-CB 3.48Å; C139-C144 CovalentContact SG-SG 2Å; C139-C144 PolarHBondContact SG-SG 3.49Å
140Q56Low51.1Low93 Ų9362 Ų6244%0.43536%0.359SS..  trans-76.4127.1172.6-61-153.1-3900110.7S96 C138 Q143S96-Q140 VanDerWaalsContact CA-NE2 3.29Å; S96-Q140 PolarHBondContact OG-NE2 3.14Å; C138-Q140 PolarHBondContact O-N 2.96Å; C138-Q140 VanDerWaalsContact O-N 3.16Å; Q140-Q143 WeakPolarHBondContact O-CB 3.28Å; Q140-Q143 WeakPolarHBondContact O-CG 3.5Å; Q140-Q143 PolarHBondContact O-N 3.45Å
141G43.6Very low51.1Low66 Ų6663.9 Ų63.968%0.6835%0.35SS*.THydrogen-bonded Turntrans55.567.8166.300000116Q143G141-Q143 PolarHBondContact O-N 2.87Å
142N43.6Very low50.7Low81 Ų8167.3 Ų67.343%0.43337%0.369SS..THydrogen-bonded Turntrans60.79.3175.1-60.1-19.3000116.1C144 R187N142-C144 VanDerWaalsContact C-N 3.35Å; N142-C144 PolarHBondContact O-N 2.87Å; N142-R187 HydrophobicContact CB-CG 4.12Å; N142-R187 VanDerWaalsContact CG-NE 3.27Å; N142-R187 PolarHBondContact OD1-NE 3.46Å; N142-R187 PolarHBondContact OD1-NH2 3.42Å
143Q43.8Very low50.4Low73 Ų7366.6 Ų66.634%0.34137%0.365SS..  trans-77.1-12.7-172.5-70.1-179.911.400115.2Q140 G141 N145 A191Q140-Q143 WeakPolarHBondContact O-CB 3.28Å; Q140-Q143 WeakPolarHBondContact O-CG 3.5Å; Q140-Q143 PolarHBondContact O-N 3.45Å; G141-Q143 PolarHBondContact O-N 2.87Å; Q143-N145 PolarHBondContact O-N 3.2Å; Q143-A191 HydrophobicContact CG-CB 4.46Å
144C46.3Very low49.6Very low31 Ų3173.1 Ų73.121%0.20939%0.392CS..  trans-94.9101.6176.1-68.70000111C139 N142C139-C144 WeakPolarHBondContact CA-SG 3.3Å; C139-C144 HydrophobicContact CB-CB 3.56Å; C139-C144 WeakPolarHBondContact CB-SG 3.29Å; C139-C144 WeakPolarHBondContact SG-CB 3.48Å; C139-C144 CovalentContact SG-SG 2Å; C139-C144 PolarHBondContact SG-SG 3.49Å; N142-C144 VanDerWaalsContact C-N 3.35Å; N142-C144 PolarHBondContact O-N 2.87Å
145N44.5Very low48.5Very low89 Ų8979.6 Ų79.648%0.47642%0.421SS..  trans-78.9121.9170.5-168.6-4.7000109.9Q143 E147Q143-N145 PolarHBondContact O-N 3.2Å; N145-E147 VanDerWaalsContact C-N 3.34Å; N145-E147 PolarHBondContact ND2-OE2 3.33Å; N145-E147 VanDerWaalsContact OD1-CB 3.3Å; N145-E147 WeakPolarHBondContact OD1-CB 3.42Å; N145-E147 WeakPolarHBondContact OD1-CG 3.21Å; N145-E147 PolarHBondContact OD1-N 2.78Å
146M44.4Very low47.3Very low87 Ų8780.5 Ų80.543%0.42943%0.426SS..  trans-87.96.1177-69.5-135.5-6900113.9T148 I160 T164M146-T148 VanDerWaalsContact C-N 3.3Å; M146-T148 PolarHBondContact O-N 2.83Å; M146-I160 HydrophobicContact SD-CG2 3.89Å; M146-T164 HydrophobicContact CE-CG2 3.53Å; M146-T164 WeakPolarHBondContact CE-OG1 3.38Å; M146-T164 HydrophobicContact SD-CG2 4.24Å
147E40.6Very low46.2Very low114 Ų11478.8 Ų78.853%0.53341%0.411SS..G310 helixtrans-73-8.8-171.5-80.3-178.7142.400116.1N145 C149N145-E147 VanDerWaalsContact C-N 3.34Å; N145-E147 PolarHBondContact ND2-OE2 3.33Å; N145-E147 VanDerWaalsContact OD1-CB 3.3Å; N145-E147 WeakPolarHBondContact OD1-CB 3.42Å; N145-E147 WeakPolarHBondContact OD1-CG 3.21Å; N145-E147 PolarHBondContact OD1-N 2.78Å; E147-C149 VanDerWaalsContact C-N 3.29Å; E147-C149 PolarHBondContact O-N 2.8Å
148T37.3Very low45.2Very low128 Ų12881.4 Ų81.479%0.78542%0.424SS*.G310 helixtrans-76.4-6.8179.625.60000115.4M146M146-T148 VanDerWaalsContact C-N 3.3Å; M146-T148 PolarHBondContact O-N 2.83Å
149C35.9Very low44.1Very low20 Ų2085.2 Ų85.214%0.13544%0.441CS..G310 helixtrans-106.90.8175.7-89.30000114.8I131 E147 D151 Y157I131-C149 WeakPolarHBondContact CD1-SG 3.32Å; E147-C149 VanDerWaalsContact C-N 3.29Å; E147-C149 PolarHBondContact O-N 2.8Å; C149-D151 VanDerWaalsContact C-N 3.29Å; C149-D151 PolarHBondContact O-N 3.32Å; C149-Y157 HydrophobicContact CB-CD2 4.09Å
150R36.9Very low43.4Very low147 Ų14785.6 Ų85.656%0.55544%0.44SS*.THydrogen-bonded Turntrans-67.4-28.2-169.1-156.6175.8-168.8177.8-0.2113.7Y157R150-Y157 HydrophobicContact CB-CE2 4.3Å; R150-Y157 HydrophobicContact CG-CE2 4.23Å
151D37.7Very low42.9Very low118 Ų11885.6 Ų85.663%0.63144%0.439SS*.THydrogen-bonded Turntrans-103.5-19.1-162-66.4-21000115.8C149C149-D151 VanDerWaalsContact C-N 3.29Å; C149-D151 PolarHBondContact O-N 3.32Å
152N36.9Very low43.1Very low101 Ų10187.3 Ų87.354%0.5443%0.433SS..THydrogen-bonded Turntrans-132.82-166.1-74.1-34.3000117.1F122F122-N152 PolarHBondContact O-ND2 3.27Å
153N41.9Very low43.3Very low47 Ų4787.7 Ų87.725%0.25143%0.434SS..  trans-15483.8170.7-147.5-26.8000111.8E155 V156 Y157N153-E155 PolarHBondContact O-N 3.38Å; N153-E155 VanDerWaalsContact O-N 3.14Å; N153-V156 HydrophobicContact CB-CB 4.19Å; N153-V156 HydrophobicContact CB-CG2 4.15Å; N153-V156 PolarHBondContact O-N 3.13Å; N153-V156 VanDerWaalsContact O-N 3.16Å; N153-Y157 WeakPolarHBondContact O-CB 3.29Å; N153-Y157 PolarHBondContact O-N 3.46Å
154K45.2Very low43.2Very low170 Ų17085.4 Ų85.474%0.73943%0.425SS*.Hα-helixtrans-53.3-33.4-177.5-97.5-178.2178.3176.80112.8N158K154-N158 WeakPolarHBondContact O-CB 3.41Å; K154-N158 PolarHBondContact O-N 2.94Å; K154-N158 PolarHBondContact O-ND2 2.95Å
155E42.7Very low42.9Very low159 Ų15986.2 Ų86.274%0.74343%0.429SS*.Hα-helixtrans-71.8-42.4-179.7-71.7-178.6168.200112.4N153 N158 E159N153-E155 PolarHBondContact O-N 3.38Å; N153-E155 VanDerWaalsContact O-N 3.14Å; E155-N158 CarbonylContact O-C 3.58Å; E155-N158 PolarHBondContact O-N 2.74Å; E155-E159 WeakPolarHBondContact O-CB 3.41Å; E155-E159 PolarHBondContact O-N 3.25Å
156V46.3Very low42.5Very low20 Ų2087.6 Ų87.612%0.12143%0.434CS..Hα-helixtrans-75.2-38178.3-177.70000110.6V119 N153 N158 E159 I160V119-V156 HydrophobicContact CB-CG2 4.15Å; V119-V156 HydrophobicContact CG1-CB 4.38Å; V119-V156 HydrophobicContact CG1-CG1 4.21Å; V119-V156 HydrophobicContact CG1-CG2 3.79Å; V119-V156 HydrophobicContact CG2-CB 4.4Å; V119-V156 HydrophobicContact CG2-CG1 4.29Å; V119-V156 HydrophobicContact CG2-CG2 3.27Å; N153-V156 HydrophobicContact CB-CB 4.19Å; N153-V156 HydrophobicContact CB-CG2 4.15Å; N153-V156 PolarHBondContact O-N 3.13Å; N153-V156 VanDerWaalsContact O-N 3.16Å; V156-N158 VanDerWaalsContact C-N 3.3Å; V156-E159 PolarHBondContact O-N 3.41Å; V156-I160 HydrophobicContact CG1-CD1 3.71Å; V156-I160 HydrophobicContact CG1-CG1 4.23Å; V156-I160 VanDerWaalsContact O-CB 3.24Å; V156-I160 WeakPolarHBondContact O-CB 3.26Å; V156-I160 WeakPolarHBondContact O-CG1 3.19Å; V156-I160 PolarHBondContact O-N 3.34Å
157Y44.3Very low42.1Very low51 Ų5187.2 Ų87.220%0.243%0.428CS..Hα-helixtrans-61.8-40.2169.9-177.3-100000110.6C149 R150 N153 K161C149-Y157 HydrophobicContact CB-CD2 4.09Å; R150-Y157 HydrophobicContact CB-CE2 4.3Å; R150-Y157 HydrophobicContact CG-CE2 4.23Å; N153-Y157 WeakPolarHBondContact O-CB 3.29Å; N153-Y157 PolarHBondContact O-N 3.46Å; Y157-K161 HydrophobicContact CD1-CD 4.44Å; Y157-K161 HydrophobicContact CE1-CD 3.85Å; Y157-K161 WeakPolarHBondContact O-CA 3.31Å; Y157-K161 WeakPolarHBondContact O-CB 3.28Å; Y157-K161 PolarHBondContact O-N 3.42Å
158N47.2Very low41.9Very low74 Ų7485.1 Ų85.140%0.39642%0.419SS..Hα-helixtrans-72.5-33.9175.9-75-17.3000112.7K154 E155 V156 N162K154-N158 WeakPolarHBondContact O-CB 3.41Å; K154-N158 PolarHBondContact O-N 2.94Å; K154-N158 PolarHBondContact O-ND2 2.95Å; E155-N158 CarbonylContact O-C 3.58Å; E155-N158 PolarHBondContact O-N 2.74Å; V156-N158 VanDerWaalsContact C-N 3.3Å; N158-N162 WeakPolarHBondContact O-CA 3.48Å; N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 2.91Å; N158-N162 PolarHBondContact O-ND2 2.97Å; N158-N162 PolarHBondContact O-OD1 3.3Å
159E46.7Very low41.8Very low85 Ų8583.8 Ų83.840%0.39741%0.407SS..Hα-helixtrans-71.6-44.6175.5-163.3176.6-173.600110.5K117 E155 V156 N162 I163K117-E159 IonicContact NZ-OE1 2.69Å; K117-E159 PolarHBondContact NZ-OE1 2.85Å; K117-E159 IonicContact NZ-OE2 3.89Å; K117-E159 PolarHBondContact NZ-OE2 2.9Å; E155-E159 WeakPolarHBondContact O-CB 3.41Å; E155-E159 PolarHBondContact O-N 3.25Å; V156-E159 PolarHBondContact O-N 3.41Å; E159-N162 PolarHBondContact O-N 3.47Å; E159-I163 HydrophobicContact CG-CD1 4.3Å; E159-I163 WeakPolarHBondContact O-CB 3.43Å; E159-I163 WeakPolarHBondContact O-CD1 3.34Å; E159-I163 WeakPolarHBondContact O-CG1 3.28Å; E159-I163 PolarHBondContact O-N 3.45Å
160I50.1Low41.8Very low43 Ų4387.1 Ų87.122%0.22142%0.424CS..Hα-helixtrans-64.4-43172.3-66.7172000110.1L133 M146 V156 I163 T164L133-I160 HydrophobicContact CD1-CD1 4.18Å; M146-I160 HydrophobicContact SD-CG2 3.89Å; V156-I160 HydrophobicContact CG1-CD1 3.71Å; V156-I160 HydrophobicContact CG1-CG1 4.23Å; V156-I160 VanDerWaalsContact O-CB 3.24Å; V156-I160 WeakPolarHBondContact O-CB 3.26Å; V156-I160 WeakPolarHBondContact O-CG1 3.19Å; V156-I160 PolarHBondContact O-N 3.34Å; I160-I163 PolarHBondContact O-N 2.93Å; I160-T164 VanDerWaalsContact O-CB 3.3Å; I160-T164 WeakPolarHBondContact O-CB 3.5Å; I160-T164 PolarHBondContact O-N 3.45Å; I160-T164 PolarHBondContact O-OG1 2.94Å
161K45.4Very low41.5Very low94 Ų9482.5 Ų82.541%0.40942%0.417SS..Hα-helixtrans-65.8-40.1176.6-177.1-178.1178-171.40110.8Y157 T164 T165Y157-K161 HydrophobicContact CD1-CD 4.44Å; Y157-K161 HydrophobicContact CE1-CD 3.85Å; Y157-K161 WeakPolarHBondContact O-CA 3.31Å; Y157-K161 WeakPolarHBondContact O-CB 3.28Å; Y157-K161 PolarHBondContact O-N 3.42Å; K161-T164 CarbonylContact O-C 3.52Å; K161-T164 PolarHBondContact O-N 3.42Å; K161-T165 HydrophobicContact CG-CG2 4.47Å; K161-T165 WeakPolarHBondContact O-CA 3.27Å; K161-T165 WeakPolarHBondContact O-CB 3.37Å; K161-T165 PolarHBondContact O-N 3.25Å; K161-T165 PolarHBondContact O-OG1 3.24Å
162N47.8Very low41.1Very low101 Ų10177.9 Ų77.954%0.5440%0.395SS..Hα-helixtrans-68.4-40.1177-76.8-6.6000111.5N158 E159 T165 M166N158-N162 WeakPolarHBondContact O-CA 3.48Å; N158-N162 WeakPolarHBondContact O-CB 3.42Å; N158-N162 PolarHBondContact O-N 2.91Å; N158-N162 PolarHBondContact O-ND2 2.97Å; N158-N162 PolarHBondContact O-OD1 3.3Å; E159-N162 PolarHBondContact O-N 3.47Å; N162-T165 WeakPolarHBondContact CA-OG1 3.4Å; N162-T165 PolarHBondContact O-OG1 2.89Å; N162-M166 WeakPolarHBondContact O-CB 3.47Å; N162-M166 PolarHBondContact O-N 2.94Å
163I46.9Very low41Very low90 Ų9081.1 Ų81.146%0.46241%0.408SS..Hα-helixtrans-62.9-45.8169.9-67.6165000108.9E159 I160 T165 M166 W167E159-I163 HydrophobicContact CG-CD1 4.3Å; E159-I163 WeakPolarHBondContact O-CB 3.43Å; E159-I163 WeakPolarHBondContact O-CD1 3.34Å; E159-I163 WeakPolarHBondContact O-CG1 3.28Å; E159-I163 PolarHBondContact O-N 3.45Å; I160-I163 PolarHBondContact O-N 2.93Å; I163-T165 PolarHBondContact O-N 3.41Å; I163-M166 PolarHBondContact O-N 2.86Å; I163-W167 PolarHBondContact O-N 3.5Å; I163-W167 VanDerWaalsContact O-N 3.13Å
164T42.5Very low40.7Very low25 Ų2582.9 Ų82.915%0.15343%0.428CS..Hα-helixtrans-72.7-30.9-177.8-41.40000112.6M146 I160 K161 W167 I168M146-T164 HydrophobicContact CE-CG2 3.53Å; M146-T164 WeakPolarHBondContact CE-OG1 3.38Å; M146-T164 HydrophobicContact SD-CG2 4.24Å; I160-T164 VanDerWaalsContact O-CB 3.3Å; I160-T164 WeakPolarHBondContact O-CB 3.5Å; I160-T164 PolarHBondContact O-N 3.45Å; I160-T164 PolarHBondContact O-OG1 2.94Å; K161-T164 CarbonylContact O-C 3.52Å; K161-T164 PolarHBondContact O-N 3.42Å; T164-W167 PolarHBondContact O-N 3.25Å; T164-I168 HydrophobicContact CG2-CD1 4.1Å; T164-I168 WeakPolarHBondContact O-CB 3.32Å; T164-I168 WeakPolarHBondContact O-CD1 3.46Å; T164-I168 WeakPolarHBondContact O-CG1 3.46Å; T164-I168 PolarHBondContact O-N 3.26Å
165T39Very low39.9Very low48 Ų4879.4 Ų79.429%0.29442%0.424SS..Hα-helixtrans-77.5-32.4174.834.50000112.3K161 N162 I163 W167 I168 N169K161-T165 HydrophobicContact CG-CG2 4.47Å; K161-T165 WeakPolarHBondContact O-CA 3.27Å; K161-T165 WeakPolarHBondContact O-CB 3.37Å; K161-T165 PolarHBondContact O-N 3.25Å; K161-T165 PolarHBondContact O-OG1 3.24Å; N162-T165 WeakPolarHBondContact CA-OG1 3.4Å; N162-T165 PolarHBondContact O-OG1 2.89Å; I163-T165 PolarHBondContact O-N 3.41Å; T165-W167 VanDerWaalsContact C-N 3.27Å; T165-W167 PolarHBondContact O-N 2.82Å; T165-I168 PolarHBondContact O-N 3.46Å; T165-N169 VanDerWaalsContact O-CB 3.27Å; T165-N169 WeakPolarHBondContact O-CB 3.33Å; T165-N169 PolarHBondContact O-N 2.8Å; T165-N169 PolarHBondContact O-ND2 2.93Å
166M37.9Very low39.4Very low117 Ų11773.9 Ų73.958%0.57641%0.41SS*.Hα-helixtrans-56.9-45.1165.3-93.5-178.459.700110.6N162 I163 N169 D170N162-M166 WeakPolarHBondContact O-CB 3.47Å; N162-M166 PolarHBondContact O-N 2.94Å; I163-M166 PolarHBondContact O-N 2.86Å; M166-N169 PolarHBondContact O-N 3.49Å; M166-D170 WeakPolarHBondContact O-CB 3.48Å; M166-D170 VanDerWaalsContact O-CG 3.26Å; M166-D170 PolarHBondContact O-N 3.19Å
167W36Very low39Very low79 Ų7976.4 Ų76.430%0.29943%0.433SS..Hα-helixtrans-73.2-31.7-179.2-74.359.9000113.3I163 T164 T165 A171I163-W167 PolarHBondContact O-N 3.5Å; I163-W167 VanDerWaalsContact O-N 3.13Å; T164-W167 PolarHBondContact O-N 3.25Å; T165-W167 VanDerWaalsContact C-N 3.27Å; T165-W167 PolarHBondContact O-N 2.82Å; W167-A171 WeakPolarHBondContact O-CB 3.48Å; W167-A171 PolarHBondContact O-N 3.3Å
168I34.6Very low38.7Very low70 Ų7081.5 Ų81.536%0.35946%0.464SS..Hα-helixtrans-70.9-37172.9-71.2162.1000110.5T164 T165 A172T164-I168 HydrophobicContact CG2-CD1 4.1Å; T164-I168 WeakPolarHBondContact O-CB 3.32Å; T164-I168 WeakPolarHBondContact O-CD1 3.46Å; T164-I168 WeakPolarHBondContact O-CG1 3.46Å; T164-I168 PolarHBondContact O-N 3.26Å; T165-I168 PolarHBondContact O-N 3.46Å; I168-A172 WeakPolarHBondContact O-CB 3.49Å; I168-A172 PolarHBondContact O-N 2.94Å
169N36Very low38.3Very low100 Ų10084.4 Ų84.454%0.53548%0.475SS..Hα-helixtrans-71.2-44.9176.1-72.1-10.3000110.8T165 M166 A171 A172 E173T165-N169 VanDerWaalsContact O-CB 3.27Å; T165-N169 WeakPolarHBondContact O-CB 3.33Å; T165-N169 PolarHBondContact O-N 2.8Å; T165-N169 PolarHBondContact O-ND2 2.93Å; M166-N169 PolarHBondContact O-N 3.49Å; N169-A171 VanDerWaalsContact C-N 3.3Å; N169-A171 PolarHBondContact O-N 2.71Å; N169-A172 PolarHBondContact O-N 3.45Å; N169-E173 WeakPolarHBondContact O-CB 3.28Å; N169-E173 PolarHBondContact O-N 3.21Å
170D36Very low37.8Very low90 Ų9082.4 Ų82.448%0.48147%0.469SS..Hα-helixtrans-62-37.3174-71-8.8000111.7M166 A174M166-D170 WeakPolarHBondContact O-CB 3.48Å; M166-D170 VanDerWaalsContact O-CG 3.26Å; M166-D170 PolarHBondContact O-N 3.19Å; D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.38Å; D170-A174 PolarHBondContact O-N 3.25Å
171A30.3Very low37.1Very low50 Ų5088.2 Ų88.241%0.41350%0.495SS..Hα-helixtrans-73.8-33.7174.900000112.8W167 N169 A174 C175W167-A171 WeakPolarHBondContact O-CB 3.48Å; W167-A171 PolarHBondContact O-N 3.3Å; N169-A171 VanDerWaalsContact C-N 3.3Å; N169-A171 PolarHBondContact O-N 2.71Å; A171-A174 PolarHBondContact O-N 2.92Å; A171-C175 WeakPolarHBondContact O-CB 3.13Å; A171-C175 PolarHBondContact O-N 3.38Å; A171-C175 PolarHBondContact O-SG 3.29Å
172A29.9Very low36.7Very low21 Ų2190 Ų9017%0.17451%0.509CS..Hα-helixtrans-73.5-31.7174.900000112I168 N169 A174 G176 T180I168-A172 WeakPolarHBondContact O-CB 3.49Å; I168-A172 PolarHBondContact O-N 2.94Å; N169-A172 PolarHBondContact O-N 3.45Å; A172-A174 VanDerWaalsContact C-N 3.34Å; A172-G176 PolarHBondContact O-N 3.26Å; A172-T180 HydrophobicContact CB-CG2 3.98Å
173E35.1Very low36.1Very low170 Ų17088.9 Ų88.979%0.79450%0.503SS*.Hα-helixtrans-70-33.2171-132.7171-171.600111.1N169N169-E173 WeakPolarHBondContact O-CB 3.28Å; N169-E173 PolarHBondContact O-N 3.21Å
174A33.8Very low35.4Very low83 Ų8391.9 Ų91.969%0.68651%0.513SS*.Hα-helixtrans-82.9-23.9175.700000114.8D170 A171 A172D170-A174 VanDerWaalsContact O-CB 3.3Å; D170-A174 WeakPolarHBondContact O-CB 3.38Å; D170-A174 PolarHBondContact O-N 3.25Å; A171-A174 PolarHBondContact O-N 2.92Å; A172-A174 VanDerWaalsContact C-N 3.34Å
175C30.3Very low35.1Very low97 Ų9795 Ų9566%0.65554%0.54SS*.Hα-helixtrans-118.7-0.5-172.6-640000115.5A171A171-C175 WeakPolarHBondContact O-CB 3.13Å; A171-C175 PolarHBondContact O-N 3.38Å; A171-C175 PolarHBondContact O-SG 3.29Å
176G30.9Very low35Very low43 Ų43101.7 Ų101.744%0.44357%0.566SS.*  trans85.3128.9177.500000113.3A172 N178A172-G176 PolarHBondContact O-N 3.26Å; G176-N178 PolarHBondContact O-N 2.91Å
177A38.7Very low34.8Very low74 Ų74102.6 Ų102.661%0.61256%0.563SS**THydrogen-bonded Turntrans-68.6-3.5-165.200000116.9T180A177-T180 PolarHBondContact O-OG1 2.88Å
178N38.6Very low34.6Very low157 Ų157108 Ų10884%0.8459%0.588SS**THydrogen-bonded Turntrans-96.1-6-173.6-80.6-6.3000114.8G176G176-N178 PolarHBondContact O-N 2.91Å
179E37.3Very low34.5Very low136 Ų136111.3 Ų111.364%0.63661%0.612SS**SBendtrans-97.6-13176.9-71.7-161.3154.200114.1E181 N182 L183E179-E181 PolarHBondContact O-N 3.01Å; E179-N182 PolarHBondContact O-N 3.35Å; E179-L183 PolarHBondContact O-N 2.87Å
180T35.8Very low34.1Very low43 Ų43116.1 Ų116.126%0.26463%0.629SS.*Hα-helixtrans-66-36-175.227.60000113.1A172 A177 L183 F184A172-T180 HydrophobicContact CB-CG2 3.98Å; A177-T180 PolarHBondContact O-OG1 2.88Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 PolarHBondContact O-N 2.96Å; T180-F184 VanDerWaalsContact O-CD2 3.22Å; T180-F184 WeakPolarHBondContact O-CD2 3.38Å
181E37Very low33.8Very low164 Ų164114.4 Ų114.477%0.76663%0.627SS**Hα-helixtrans-73.3-35.3179.8-69.5-171.3156.700113.3E179 L183 F184E179-E181 PolarHBondContact O-N 3.01Å; E181-L183 VanDerWaalsContact C-N 3.26Å; E181-L183 PolarHBondContact O-N 3.01Å; E181-F184 PolarHBondContact O-N 3.07Å
182N36.5Very low33.9Very low131 Ų131119.9 Ų119.970%0.70164%0.641SS**Hα-helixtrans-71.1-22.2175.6-83.3-30.1000112.9E179 F184E179-N182 PolarHBondContact O-N 3.35Å; N182-F184 VanDerWaalsContact C-N 3.34Å
183L34.3Very low34.4Very low79 Ų79121 Ų12141%0.41464%0.644SS.*Hα-helixtrans-73.7-21.1174.6-96.3151.1000113.6E179 T180 E181 R187E179-L183 PolarHBondContact O-N 2.87Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 PolarHBondContact O-N 2.96Å; E181-L183 VanDerWaalsContact C-N 3.26Å; E181-L183 PolarHBondContact O-N 3.01Å; L183-R187 PolarHBondContact O-NE 3.41Å
184F32.5Very low34.4Very low153 Ų153116.3 Ų116.367%0.67163%0.63SS**Hα-helixtrans-83.9-33.4178.8-86.5-80.8000113.7T180 E181 N182 K186T180-F184 VanDerWaalsContact O-CD2 3.22Å; T180-F184 WeakPolarHBondContact O-CD2 3.38Å; E181-F184 PolarHBondContact O-N 3.07Å; N182-F184 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.16Å
185A37Very low34.9Very low89 Ų89121.6 Ų121.674%0.73663%0.634SS**Hα-helixtrans-78.8-17.5-170.200000115.6
186K36.1Very low36.2Very low189 Ų189118 Ų11882%0.82261%0.609SS**THydrogen-bonded Turntrans-98.94.6-175.9-86.6-177.5176.5176.50115.8F184 K188F184-K186 PolarHBondContact O-N 3.16Å; K186-K188 PolarHBondContact O-N 3.41Å
187R35.1Very low38.1Very low136 Ų136119.1 Ų119.151%0.51361%0.611SS.*  trans-92.872.7-174.4-65.4-173.5-165.3-167.4-1.2113.1N142 L183N142-R187 HydrophobicContact CB-CG 4.12Å; N142-R187 VanDerWaalsContact CG-NE 3.27Å; N142-R187 PolarHBondContact OD1-NE 3.46Å; N142-R187 PolarHBondContact OD1-NH2 3.42Å; L183-R187 PolarHBondContact O-NE 3.41Å
188K30.4Very low40.2Very low193 Ų193116.1 Ų116.184%0.83959%0.587SS**  trans-124.698.6162.5-84.9-173.3178.5178.60109.2K186K186-K188 PolarHBondContact O-N 3.41Å
189T32.2Very low42.5Very low140 Ų140108.6 Ų108.686%0.85955%0.547SS*.  trans174.5132.8146.226.60000110.5A191T189-A191 PolarHBondContact O-N 2.94Å
190F28.5Very low45Very low201 Ų201105.5 Ų105.588%0.88253%0.532SS*.  trans-59.6100.5168-74-98.4000110
191A30.4Very low47.2Very low54 Ų54107.4 Ų107.445%0.44654%0.543SS..  trans-102.6114.3164.700000108.1Q143 T189 L193Q143-A191 HydrophobicContact CG-CB 4.46Å; T189-A191 PolarHBondContact O-N 2.94Å; A191-L193 PolarHBondContact O-N 3.45Å
192K31Very low49.5Very low165 Ų165100.8 Ų100.872%0.71752%0.515SS*.  trans-52.5122.1176.5-152.8176.2174-174.90108S194 Y195K192-S194 WeakPolarHBondContact CB-OG 3.23Å; K192-S194 WeakPolarHBondContact CD-OG 3.19Å; K192-S194 WeakPolarHBondContact CG-OG 3.43Å; K192-S194 PolarHBondContact O-N 3.33Å; K192-S194 PolarHBondContact O-OG 3.45Å; K192-Y195 PolarHBondContact O-N 2.91Å
193L41.3Very low51.7Low44 Ų4494.6 Ų94.623%0.2348%0.481CS..G310 helixtrans-55.4-4.7171.5-128.6113.5000113P103 L132 V134 A191 Y195 S196P103-L193 HydrophobicContact CB-CD2 3.74Å; P103-L193 HydrophobicContact CG-CD2 4.06Å; L132-L193 HydrophobicContact CD2-CD2 4.36Å; V134-L193 HydrophobicContact CG1-CD2 4.15Å; V134-L193 HydrophobicContact CG2-CD2 4.03Å; A191-L193 PolarHBondContact O-N 3.45Å; L193-Y195 PolarHBondContact O-N 3.49Å; L193-S196 PolarHBondContact O-N 3.33Å; L193-S196 PolarHBondContact O-OG 2.96Å
194S34.8Very low53.9Low72 Ų7292.9 Ų92.950%0.50347%0.473SS..G310 helixtrans-62.1-1.6174.662.30000115.3K192K192-S194 WeakPolarHBondContact CB-OG 3.23Å; K192-S194 WeakPolarHBondContact CD-OG 3.19Å; K192-S194 WeakPolarHBondContact CG-OG 3.43Å; K192-S194 PolarHBondContact O-N 3.33Å; K192-S194 PolarHBondContact O-OG 3.45Å
195Y44.1Very low56.1Low194 Ų19491.7 Ų91.776%0.76147%0.469SS*.G310 helixtrans-101.9-7175.5-84.5-78.3000114.7K192 L193 S197K192-Y195 PolarHBondContact O-N 2.91Å; L193-Y195 PolarHBondContact O-N 3.49Å; Y195-S197 PolarHBondContact O-N 2.89Å
196S57.3Low58Low20 Ų2089.3 Ų89.314%0.1445%0.449CS..SBendtrans-74.2103.4169.970.70000108.5C98 P103 L193C98-S196 WeakPolarHBondContact CB-OG 3.47Å; P103-S196 WeakPolarHBondContact CD-OG 3.45Å; L193-S196 PolarHBondContact O-N 3.33Å; L193-S196 PolarHBondContact O-OG 2.96Å
197S71.3Confident59.9Low68 Ų6881.7 Ų81.748%0.47642%0.419SS..  trans-59.3141.8173.2500000110.2C97 C98 Y195C97-S197 WeakPolarHBondContact CB-O 3.12Å; C98-S197 PolarHBondContact N-O 3.21Å; C98-S197 VanDerWaalsContact N-O 3.13Å; Y195-S197 PolarHBondContact O-N 2.89Å
198G82.7Confident61.6Low10 Ų1077.6 Ų77.610%0.10341%0.41CS..  trans-56.1151.1167.800000111F100 E200 P202F100-G198 CarbonylContact O-C 3.23Å; F100-G198 VanDerWaalsContact O-C 3.23Å; F100-G198 WeakPolarHBondContact O-CA 3.4Å; G198-E200 PolarHBondContact O-N 3.31Å; G198-P202 WeakPolarHBondContact O-CD 3.3Å
199C87.4Confident63.6Low0 Ų071.6 Ų71.60%039%0.388CS..THydrogen-bonded Turntrans-67.5-14.3177.2-61.90000113.4F69 C97 G99 F100 V201 P202 I203F69-C199 HydrophobicContact CE1-CB 4.29Å; F69-C199 HydrophobicContact CZ-CB 3.82Å; C97-C199 HydrophobicContact CB-CB 3.81Å; C97-C199 WeakPolarHBondContact CB-SG 3.42Å; C97-C199 WeakPolarHBondContact SG-CA 3.43Å; C97-C199 WeakPolarHBondContact SG-CB 3.34Å; C97-C199 CovalentContact SG-SG 2.02Å; C97-C199 PolarHBondContact SG-SG 3.32Å; G99-C199 WeakPolarHBondContact O-CB 3.5Å; G99-C199 PolarHBondContact O-N 3.4Å; G99-C199 PolarHBondContact O-SG 2.95Å; F100-C199 PolarHBondContact O-N 2.82Å; C199-V201 PolarHBondContact O-N 2.84Å; C199-P202 WeakPolarHBondContact O-CD 3.48Å; C199-P202 WeakPolarHBondContact O-CG 3.32Å; C199-I203 HydrophobicContact CB-CD1 3.64Å; C199-I203 HydrophobicContact CB-CG1 4.24Å; C199-I203 WeakPolarHBondContact O-CB 3.2Å; C199-I203 WeakPolarHBondContact O-CD1 3.33Å; C199-I203 WeakPolarHBondContact O-CG1 2.96Å; C199-I203 PolarHBondContact O-N 2.87Å
200E88.5Confident65.5Low71 Ų7170.9 Ų70.933%0.33237%0.373SS..Hα-helixtrans-52.6-53.1178.9178.9176.4-172.800112.4F100 G198 N204F100-E200 HydrophobicContact CD1-CB 4.44Å; F100-E200 HydrophobicContact CD2-CB 4.35Å; F100-E200 HydrophobicContact CE1-CB 4.07Å; F100-E200 HydrophobicContact CE1-CG 4.09Å; F100-E200 HydrophobicContact CE2-CB 3.99Å; F100-E200 HydrophobicContact CE2-CG 4.35Å; F100-E200 HydrophobicContact CZ-CB 3.84Å; F100-E200 HydrophobicContact CZ-CG 3.79Å; F100-E200 WeakPolarHBondContact O-CB 3.39Å; F100-E200 PolarHBondContact O-N 3.48Å; G198-E200 PolarHBondContact O-N 3.31Å; E200-N204 VanDerWaalsContact O-CB 3.23Å; E200-N204 WeakPolarHBondContact O-CB 3.49Å; E200-N204 PolarHBondContact O-N 3.28Å; E200-N204 PolarHBondContact O-ND2 3.13Å; E200-N204 VanDerWaalsContact O-ND2 3.13Å
201V83.7Confident67.3Low82 Ų8261.5 Ų61.550%0.49733%0.332SS..Hα-helixtrans-63.8-57.8-177.9179.50000112.1C199 I203 N204 E205C199-V201 PolarHBondContact O-N 2.84Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 2.96Å; V201-N204 PolarHBondContact O-N 2.86Å; V201-N204 VanDerWaalsContact O-N 3.15Å; V201-E205 HydrophobicContact CG1-CG 4.34Å; V201-E205 WeakPolarHBondContact CG1-OE1 3.16Å; V201-E205 WeakPolarHBondContact O-CG 3.33Å; V201-E205 PolarHBondContact O-N 2.92Å
202P84Confident69.1Low26 Ų2664 Ų6417%0.16934%0.337CS..Hα-helixtrans-65.4-32.4-177.425.8-35.2000113F95 C97 G198 C199 A206F95-P202 HydrophobicContact CB-CB 4.23Å; F95-P202 HydrophobicContact CB-CG 4.23Å; F95-P202 HydrophobicContact CD1-CB 4.29Å; C97-P202 HydrophobicContact CB-CG 4Å; G198-P202 WeakPolarHBondContact O-CD 3.3Å; C199-P202 WeakPolarHBondContact O-CD 3.48Å; C199-P202 WeakPolarHBondContact O-CG 3.32Å; P202-A206 VanDerWaalsContact O-CB 3.23Å; P202-A206 WeakPolarHBondContact O-CB 3.45Å; P202-A206 PolarHBondContact O-N 3.01Å
203I84Confident70.9Confident0 Ų063.2 Ų63.20%033%0.33CS..Hα-helixtrans-67-44.7174-70.2172.9000110.4W65 F69 V91 F95 C199 V201 A206 T207W65-I203 VanDerWaalsContact CD1-CG2 3.43Å; W65-I203 HydrophobicContact CD2-CD1 4.27Å; W65-I203 HydrophobicContact CD2-CG2 3.77Å; W65-I203 HydrophobicContact CE3-CD1 4.1Å; W65-I203 HydrophobicContact CG-CG2 3.74Å; W65-I203 HydrophobicContact CZ2-CG2 4.16Å; W65-I203 HydrophobicContact CZ3-CD1 4.4Å; W65-I203 VanDerWaalsContact NE1-CG2 3.3Å; F69-I203 HydrophobicContact CE2-CD1 3.77Å; F69-I203 HydrophobicContact CZ-CD1 4.07Å; V91-I203 HydrophobicContact CG1-CD1 3.9Å; F95-I203 HydrophobicContact CD1-CG1 4.24Å; F95-I203 HydrophobicContact CD2-CD1 4.38Å; F95-I203 HydrophobicContact CD2-CG1 3.74Å; F95-I203 HydrophobicContact CE1-CG1 4.34Å; F95-I203 HydrophobicContact CE2-CG1 3.84Å; F95-I203 HydrophobicContact CG-CG1 3.95Å; F95-I203 HydrophobicContact CZ-CG1 4.15Å; C199-I203 HydrophobicContact CB-CD1 3.64Å; C199-I203 HydrophobicContact CB-CG1 4.24Å; C199-I203 WeakPolarHBondContact O-CB 3.2Å; C199-I203 WeakPolarHBondContact O-CD1 3.33Å; C199-I203 WeakPolarHBondContact O-CG1 2.96Å; C199-I203 PolarHBondContact O-N 2.87Å; V201-I203 VanDerWaalsContact C-N 3.32Å; V201-I203 PolarHBondContact O-N 2.96Å; I203-A206 PolarHBondContact O-N 2.74Å; I203-T207 VanDerWaalsContact O-CB 3.31Å; I203-T207 WeakPolarHBondContact O-CB 3.28Å; I203-T207 PolarHBondContact O-N 3.37Å; I203-T207 PolarHBondContact O-OG1 3.19Å
204N79.5Confident72.1Confident43 Ų4363.4 Ų63.423%0.2333%0.331CS..Hα-helixtrans-62.1-50.3177.6-74.7-23.2000110E200 V201 A206 T207 C208E200-N204 VanDerWaalsContact O-CB 3.23Å; E200-N204 WeakPolarHBondContact O-CB 3.49Å; E200-N204 PolarHBondContact O-N 3.28Å; E200-N204 PolarHBondContact O-ND2 3.13Å; E200-N204 VanDerWaalsContact O-ND2 3.13Å; V201-N204 PolarHBondContact O-N 2.86Å; V201-N204 VanDerWaalsContact O-N 3.15Å; N204-A206 VanDerWaalsContact C-N 3.33Å; N204-A206 PolarHBondContact O-N 3.41Å; N204-T207 WeakPolarHBondContact O-CA 3.42Å; N204-T207 WeakPolarHBondContact O-CB 3.5Å; N204-T207 PolarHBondContact O-N 3.3Å; N204-C208 VanDerWaalsContact O-CA 3.32Å; N204-C208 WeakPolarHBondContact O-CA 3.36Å; N204-C208 PolarHBondContact O-N 2.97Å; N204-C208 PolarHBondContact O-SG 3.39Å
205E79.8Confident73.5Confident128 Ų12860.7 Ų60.760%0.59831%0.314SS*.Hα-helixtrans-59.9-37178.2-74.3-179.4-179.600113.7V201 C208 D209V201-E205 HydrophobicContact CG1-CG 4.34Å; V201-E205 WeakPolarHBondContact CG1-OE1 3.16Å; V201-E205 WeakPolarHBondContact O-CG 3.33Å; V201-E205 PolarHBondContact O-N 2.92Å; E205-C208 VanDerWaalsContact O-CA 3.24Å; E205-C208 WeakPolarHBondContact O-CA 3.34Å; E205-D209 PolarHBondContact O-N 2.94Å
206A77Confident74.7Confident39 Ų3956.4 Ų56.432%0.32230%0.303SS..Hα-helixtrans-71.8-33.5173.700000112.2F95 P202 I203 N204 D209 F210F95-A206 HydrophobicContact CD1-CB 4.36Å; F95-A206 HydrophobicContact CE1-CB 3.52Å; F95-A206 HydrophobicContact CZ-CB 4.36Å; P202-A206 VanDerWaalsContact O-CB 3.23Å; P202-A206 WeakPolarHBondContact O-CB 3.45Å; P202-A206 PolarHBondContact O-N 3.01Å; I203-A206 PolarHBondContact O-N 2.74Å; N204-A206 VanDerWaalsContact C-N 3.33Å; N204-A206 PolarHBondContact O-N 3.41Å; A206-D209 PolarHBondContact O-N 2.93Å; A206-F210 VanDerWaalsContact O-CB 3.24Å; A206-F210 WeakPolarHBondContact O-CB 3.4Å; A206-F210 PolarHBondContact O-N 2.94Å
207T74.9Confident75.3Confident29 Ų2960.4 Ų60.418%0.17832%0.322CS..Hα-helixtrans-70.6-59.6178.4-55.90000110.7Y61 I203 N204 F210 L211Y61-T207 HydrophobicContact CD1-CG2 4.47Å; Y61-T207 HydrophobicContact CD2-CG2 4.48Å; Y61-T207 HydrophobicContact CG-CG2 4.18Å; I203-T207 VanDerWaalsContact O-CB 3.31Å; I203-T207 WeakPolarHBondContact O-CB 3.28Å; I203-T207 PolarHBondContact O-N 3.37Å; I203-T207 PolarHBondContact O-OG1 3.19Å; N204-T207 WeakPolarHBondContact O-CA 3.42Å; N204-T207 WeakPolarHBondContact O-CB 3.5Å; N204-T207 PolarHBondContact O-N 3.3Å; T207-F210 PolarHBondContact O-N 3.48Å; T207-L211 HydrophobicContact CG2-CD1 3.83Å; T207-L211 HydrophobicContact CG2-CG 4.31Å; T207-L211 WeakPolarHBondContact O-CB 3.45Å; T207-L211 WeakPolarHBondContact O-CG 3.49Å; T207-L211 PolarHBondContact O-N 3.5Å
208C71.5Confident75Confident50 Ų5057.7 Ų57.734%0.33830%0.303SS..Hα-helix28-110.8118.526.10000119Y58 N204 E205 F210 L211 L212Y58-C208 HydrophobicContact CE1-CB 3.65Å; Y58-C208 WeakPolarHBondContact CE1-SG 3.24Å; Y58-C208 VanDerWaalsContact OH-C 3.27Å; Y58-C208 WeakPolarHBondContact OH-CA 3.35Å; Y58-C208 WeakPolarHBondContact OH-CB 2.88Å; Y58-C208 PolarHBondContact OH-N 3.27Å; Y58-C208 PolarHBondContact OH-O 3.03Å; N204-C208 VanDerWaalsContact O-CA 3.32Å; N204-C208 WeakPolarHBondContact O-CA 3.36Å; N204-C208 PolarHBondContact O-N 2.97Å; N204-C208 PolarHBondContact O-SG 3.39Å; E205-C208 VanDerWaalsContact O-CA 3.24Å; E205-C208 WeakPolarHBondContact O-CA 3.34Å; C208-F210 VanDerWaalsContact C-N 3.32Å; C208-F210 PolarHBondContact O-N 3.45Å; C208-L211 PolarHBondContact O-N 3.44Å; C208-L212 PolarHBondContact O-N 3.33Å
209D71.5Confident74.3Confident68 Ų6861.7 Ų61.736%0.36432%0.322SS..Hα-helixtrans-59.7-40.3-177.8-174.430.2000112.4E205 A206 L211 L212 R213E205-D209 PolarHBondContact O-N 2.94Å; A206-D209 PolarHBondContact O-N 2.93Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.88Å; D209-L212 PolarHBondContact O-N 3.33Å; D209-R213 VanDerWaalsContact CG-NE 3.35Å; D209-R213 WeakPolarHBondContact O-CB 3.4Å; D209-R213 VanDerWaalsContact O-CG 3.28Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.49Å; D209-R213 IonicContact OD1-CZ 3.98Å; D209-R213 IonicContact OD1-NE 3.29Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 VanDerWaalsContact OD1-NE 3.16Å; D209-R213 IonicContact OD1-NH2 3.33Å; D209-R213 IonicContact OD2-CZ 3.15Å; D209-R213 IonicContact OD2-NE 2.77Å; D209-R213 PolarHBondContact OD2-NE 3.46Å; D209-R213 IonicContact OD2-NH2 3.7Å; D209-R213 PolarHBondContact OD2-NH2 3.43Å
210F71.5Confident73.4Confident124 Ų12463.9 Ų63.954%0.54434%0.34SS..Hα-helixtrans-60-41.7179.1-178.3-105.7000112.5A206 T207 C208 R213 L214A206-F210 VanDerWaalsContact O-CB 3.24Å; A206-F210 WeakPolarHBondContact O-CB 3.4Å; A206-F210 PolarHBondContact O-N 2.94Å; T207-F210 PolarHBondContact O-N 3.48Å; C208-F210 VanDerWaalsContact C-N 3.32Å; C208-F210 PolarHBondContact O-N 3.45Å; F210-R213 PolarHBondContact O-N 2.9Å; F210-L214 HydrophobicContact CD1-CD1 3.8Å; F210-L214 HydrophobicContact CD1-CG 4.33Å; F210-L214 HydrophobicContact CE1-CD1 3.23Å; F210-L214 HydrophobicContact CE1-CG 3.95Å; F210-L214 HydrophobicContact CE2-CG 4.44Å; F210-L214 HydrophobicContact CZ-CD1 3.65Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 HydrophobicContact CZ-CG 4Å; F210-L214 WeakPolarHBondContact O-CB 3.09Å; F210-L214 WeakPolarHBondContact O-CG 3.32Å; F210-L214 PolarHBondContact O-N 3.26Å
211L68.1Low72.5Confident4 Ų465 Ų652%0.02135%0.347CS..Hα-helixtrans-73.6-35-180-66-178.7000112.5I54 L55 Y58 T207 C208 D209 L214 G215I54-L211 HydrophobicContact CB-CD2 4.43Å; I54-L211 HydrophobicContact CG2-CD1 3.81Å; I54-L211 HydrophobicContact CG2-CD2 3.18Å; I54-L211 HydrophobicContact CG2-CG 4.15Å; L55-L211 HydrophobicContact CD2-CB 3.84Å; Y58-L211 HydrophobicContact CD2-CD1 3.59Å; Y58-L211 HydrophobicContact CE2-CB 3.58Å; Y58-L211 HydrophobicContact CE2-CD1 3.09Å; Y58-L211 HydrophobicContact CE2-CG 3.9Å; T207-L211 HydrophobicContact CG2-CD1 3.83Å; T207-L211 HydrophobicContact CG2-CG 4.31Å; T207-L211 WeakPolarHBondContact O-CB 3.45Å; T207-L211 WeakPolarHBondContact O-CG 3.49Å; T207-L211 PolarHBondContact O-N 3.5Å; C208-L211 PolarHBondContact O-N 3.44Å; D209-L211 VanDerWaalsContact C-N 3.33Å; D209-L211 PolarHBondContact O-N 2.88Å; L211-L214 HydrophobicContact CD2-CD1 4.15Å; L211-L214 PolarHBondContact O-N 2.99Å; L211-G215 PolarHBondContact O-N 3.05Å
212L67.5Low71.8Confident106 Ų10665 Ų6556%0.55534%0.339SS*.Hα-helixtrans-60.8-47.8170.1-175.967.2000110.9C208 D209 L214 G215 I216C208-L212 PolarHBondContact O-N 3.33Å; D209-L212 PolarHBondContact O-N 3.33Å; L212-L214 PolarHBondContact O-N 3.22Å; L212-G215 PolarHBondContact O-N 3.49Å; L212-G215 VanDerWaalsContact O-N 3.14Å; L212-I216 HydrophobicContact CG-CD1 4.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.85Å
213R68.3Low71.1Confident149 Ų14970.3 Ų70.356%0.56236%0.359SS*.Hα-helixtrans-60.4-43.4176.6-69.7174.6-171-1518.2111.9D209 F210 G215 I216 L217D209-R213 VanDerWaalsContact CG-NE 3.35Å; D209-R213 WeakPolarHBondContact O-CB 3.4Å; D209-R213 VanDerWaalsContact O-CG 3.28Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.49Å; D209-R213 IonicContact OD1-CZ 3.98Å; D209-R213 IonicContact OD1-NE 3.29Å; D209-R213 PolarHBondContact OD1-NE 3.43Å; D209-R213 VanDerWaalsContact OD1-NE 3.16Å; D209-R213 IonicContact OD1-NH2 3.33Å; D209-R213 IonicContact OD2-CZ 3.15Å; D209-R213 IonicContact OD2-NE 2.77Å; D209-R213 PolarHBondContact OD2-NE 3.46Å; D209-R213 IonicContact OD2-NH2 3.7Å; D209-R213 PolarHBondContact OD2-NH2 3.43Å; F210-R213 PolarHBondContact O-N 2.9Å; R213-G215 VanDerWaalsContact C-N 3.33Å; R213-G215 PolarHBondContact O-N 3.47Å; R213-I216 PolarHBondContact O-N 2.8Å; R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.28Å
214L67.2Low70.4Confident49 Ų4974.4 Ų74.426%0.25739%0.387SS..Hα-helixtrans-63.1-38.5174.3-78.9-177.9000112.4T51 F210 L211 L212 L217 S218T51-L214 HydrophobicContact CG2-CB 3.98Å; F210-L214 HydrophobicContact CD1-CD1 3.8Å; F210-L214 HydrophobicContact CD1-CG 4.33Å; F210-L214 HydrophobicContact CE1-CD1 3.23Å; F210-L214 HydrophobicContact CE1-CG 3.95Å; F210-L214 HydrophobicContact CE2-CG 4.44Å; F210-L214 HydrophobicContact CZ-CD1 3.65Å; F210-L214 HydrophobicContact CZ-CD2 4.32Å; F210-L214 HydrophobicContact CZ-CG 4Å; F210-L214 WeakPolarHBondContact O-CB 3.09Å; F210-L214 WeakPolarHBondContact O-CG 3.32Å; F210-L214 PolarHBondContact O-N 3.26Å; L211-L214 HydrophobicContact CD2-CD1 4.15Å; L211-L214 PolarHBondContact O-N 2.99Å; L212-L214 PolarHBondContact O-N 3.22Å; L214-L217 PolarHBondContact O-N 3.05Å; L214-S218 VanDerWaalsContact O-CB 3.28Å; L214-S218 WeakPolarHBondContact O-CB 3.29Å; L214-S218 PolarHBondContact O-N 3.5Å
215G64.5Low69.9Low15 Ų1573 Ų7316%0.15538%0.379CS..Hα-helixtrans-60.4-47.9174.100000112L211 L212 R213 S218 I219L211-G215 PolarHBondContact O-N 3.05Å; L212-G215 PolarHBondContact O-N 3.49Å; L212-G215 VanDerWaalsContact O-N 3.14Å; R213-G215 VanDerWaalsContact C-N 3.33Å; R213-G215 PolarHBondContact O-N 3.47Å; G215-S218 WeakPolarHBondContact O-CB 3.26Å; G215-S218 PolarHBondContact O-N 3.44Å; G215-I219 WeakPolarHBondContact O-CG1 3.32Å; G215-I219 PolarHBondContact O-N 2.85Å
216I69.2Low69.4Low103 Ų10370.7 Ų70.753%0.52837%0.37SS..Hα-helixtrans-61.2-47.3177.2-66167000110.9L212 R213 S218 I219 A220L212-I216 HydrophobicContact CG-CD1 4.3Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 2.85Å; R213-I216 PolarHBondContact O-N 2.8Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 2.87Å; I216-I219 PolarHBondContact O-N 3.23Å; I216-A220 WeakPolarHBondContact O-CB 3.5Å; I216-A220 PolarHBondContact O-N 3.36Å
217L68.3Low69.1Low104 Ų10474.6 Ų74.655%0.54538%0.383SS..Hα-helixtrans-60.6-39.7176.6-72.6172.6000111.6R213 L214 A220 L221R213-L217 WeakPolarHBondContact O-CB 3.29Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.28Å; L214-L217 PolarHBondContact O-N 3.05Å; L217-A220 PolarHBondContact O-N 2.81Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.27Å; L217-L221 PolarHBondContact O-N 3.45Å
218S66.9Low68.9Low11 Ų1177.6 Ų77.68%0.07740%0.395CS..Hα-helixtrans-63.1-44.8177-169.40000112L214 G215 I216 L221 W222L214-S218 VanDerWaalsContact O-CB 3.28Å; L214-S218 WeakPolarHBondContact O-CB 3.29Å; L214-S218 PolarHBondContact O-N 3.5Å; G215-S218 WeakPolarHBondContact O-CB 3.26Å; G215-S218 PolarHBondContact O-N 3.44Å; I216-S218 VanDerWaalsContact C-N 3.29Å; I216-S218 PolarHBondContact O-N 2.87Å; S218-L221 PolarHBondContact O-N 2.99Å; S218-W222 WeakPolarHBondContact O-CB 3.25Å; S218-W222 PolarHBondContact O-N 3.43Å
219I68.1Low68.7Low94 Ų9477.3 Ų77.348%0.48239%0.389SS..Hα-helixtrans-62.4-45.9175.7-67.4166.7000110.6G215 I216 L221 W222 F223G215-I219 WeakPolarHBondContact O-CG1 3.32Å; G215-I219 PolarHBondContact O-N 2.85Å; I216-I219 PolarHBondContact O-N 3.23Å; I219-L221 PolarHBondContact O-N 3.49Å; I219-W222 WeakPolarHBondContact O-CA 3.41Å; I219-W222 VanDerWaalsContact O-CB 3.28Å; I219-W222 WeakPolarHBondContact O-CB 3.45Å; I219-W222 PolarHBondContact O-N 3.14Å; I219-W222 VanDerWaalsContact O-N 3.13Å; I219-F223 HydrophobicContact CG2-CD2 3.74Å; I219-F223 HydrophobicContact CG2-CE2 3.61Å; I219-F223 WeakPolarHBondContact O-CD2 3.42Å; I219-F223 PolarHBondContact O-N 2.96Å
220A67.1Low68.7Low47 Ų4780 Ų8039%0.38840%0.4SS..Hα-helixtrans-60.9-44178.300000111.9I216 L217 W222 F223 C224I216-A220 WeakPolarHBondContact O-CB 3.5Å; I216-A220 PolarHBondContact O-N 3.36Å; L217-A220 PolarHBondContact O-N 2.81Å; A220-W222 VanDerWaalsContact C-N 3.29Å; A220-W222 PolarHBondContact O-N 3.2Å; A220-F223 PolarHBondContact O-N 3.23Å; A220-C224 PolarHBondContact O-N 2.88Å; A220-C224 PolarHBondContact O-SG 3.39Å; A220-C224 VanDerWaalsContact O-SG 3.34Å
221L69.6Low68.5Low93 Ų9376.7 Ų76.749%0.48740%0.395SS..Hα-helixtrans-62.6-37174.6-71.2170.9000112L44 L217 S218 I219 C224 F225L44-L221 HydrophobicContact CD2-CB 3.82Å; L44-L221 HydrophobicContact CD2-CD1 4.28Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.27Å; L217-L221 PolarHBondContact O-N 3.45Å; S218-L221 PolarHBondContact O-N 2.99Å; I219-L221 PolarHBondContact O-N 3.49Å; L221-C224 PolarHBondContact O-N 3.31Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 PolarHBondContact O-N 3Å
222W69.9Low68.5Low82 Ų8277.2 Ų77.231%0.31140%0.399SS..Hα-helixtrans-61.6-45.8173.1-109102.4000112.5Y48 S218 I219 A220 F225 L226Y48-W222 AromaticContact CG-NE1 3.86Å; S218-W222 WeakPolarHBondContact O-CB 3.25Å; S218-W222 PolarHBondContact O-N 3.43Å; I219-W222 WeakPolarHBondContact O-CA 3.41Å; I219-W222 VanDerWaalsContact O-CB 3.28Å; I219-W222 WeakPolarHBondContact O-CB 3.45Å; I219-W222 PolarHBondContact O-N 3.14Å; I219-W222 VanDerWaalsContact O-N 3.13Å; A220-W222 VanDerWaalsContact C-N 3.29Å; A220-W222 PolarHBondContact O-N 3.2Å; W222-F225 WeakPolarHBondContact O-CB 3.36Å; W222-F225 PolarHBondContact O-N 3.18Å; W222-L226 HydrophobicContact CE3-CD1 4.2Å; W222-L226 HydrophobicContact CE3-CD2 4.35Å; W222-L226 HydrophobicContact CE3-CG 4.06Å; W222-L226 HydrophobicContact CZ3-CD2 4.1Å; W222-L226 HydrophobicContact CZ3-CG 4.32Å; W222-L226 WeakPolarHBondContact O-CG 3.43Å; W222-L226 PolarHBondContact O-N 2.85Å
223F69.4Low68.6Low138 Ų13880.2 Ų80.261%0.60540%0.402SS*.Hα-helixtrans-62.7-46.5174.9-84.1-72.7000112I219 A220 F225 L226 M227I219-F223 HydrophobicContact CG2-CD2 3.74Å; I219-F223 HydrophobicContact CG2-CE2 3.61Å; I219-F223 WeakPolarHBondContact O-CD2 3.42Å; I219-F223 PolarHBondContact O-N 2.96Å; A220-F223 PolarHBondContact O-N 3.23Å; F223-F225 PolarHBondContact O-N 3.27Å; F223-L226 PolarHBondContact O-N 3.07Å; F223-M227 WeakPolarHBondContact O-CG 3.36Å; F223-M227 PolarHBondContact O-N 3.4Å
224C67.8Low68.7Low86 Ų8681.3 Ų81.358%0.58141%0.408SS*.Hα-helixtrans-55.9-39.1174.9-72.40000111.7A220 L221 H228A220-C224 PolarHBondContact O-N 2.88Å; A220-C224 PolarHBondContact O-SG 3.39Å; A220-C224 VanDerWaalsContact O-SG 3.34Å; L221-C224 PolarHBondContact O-N 3.31Å; C224-H228 WeakPolarHBondContact O-CB 3.4Å; C224-H228 PolarHBondContact O-N 3.17Å
225F69.4Low68.8Low15 Ų1582 Ų827%0.06641%0.414CS..Hα-helixtrans-69-44.1177.6179.8-106.6000113.7T37 L40 G41 L44 L221 W222 F223 M227 H228 M229T37-F225 HydrophobicContact CG2-CE2 3.78Å; T37-F225 HydrophobicContact CG2-CZ 4.13Å; T37-F225 WeakPolarHBondContact O-CE2 3.35Å; T37-F225 VanDerWaalsContact O-CZ 3.24Å; T37-F225 WeakPolarHBondContact O-CZ 3.18Å; L40-F225 HydrophobicContact CB-CD2 4.21Å; L40-F225 HydrophobicContact CB-CE2 3.92Å; L40-F225 HydrophobicContact CD2-CD2 3.87Å; L40-F225 HydrophobicContact CD2-CE2 4.28Å; L40-F225 HydrophobicContact CG-CD2 3.85Å; L40-F225 HydrophobicContact CG-CE2 4.09Å; G41-F225 VanDerWaalsContact CA-CE1 3.5Å; G41-F225 VanDerWaalsContact N-CZ 3.33Å; L44-F225 HydrophobicContact CD1-CB 3.34Å; L44-F225 HydrophobicContact CD1-CD1 4.4Å; L44-F225 HydrophobicContact CD1-CD2 3.7Å; L44-F225 HydrophobicContact CD1-CG 3.54Å; L221-F225 WeakPolarHBondContact O-CB 3.39Å; L221-F225 PolarHBondContact O-N 3Å; W222-F225 WeakPolarHBondContact O-CB 3.36Å; W222-F225 PolarHBondContact O-N 3.18Å; F223-F225 PolarHBondContact O-N 3.27Å; F225-M227 VanDerWaalsContact C-N 3.29Å; F225-M227 PolarHBondContact O-N 3Å; F225-H228 PolarHBondContact O-N 3.39Å; F225-M229 HydrophobicContact CD1-CG 4.43Å; F225-M229 HydrophobicContact CE1-CE 4.13Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.16Å; F225-M229 HydrophobicContact CZ-CE 3.57Å; F225-M229 HydrophobicContact CZ-CG 3.63Å; F225-M229 HydrophobicContact CZ-SD 4.35Å; F225-M229 WeakPolarHBondContact O-CB 3.42Å; F225-M229 PolarHBondContact O-N 2.92Å
226L70.2Confident68.9Low78 Ų7884.9 Ų84.941%0.40842%0.42SS..Hα-helixtrans-60.6-42175.1-71.1173.6000111.1W222 F223 M229 Q230W222-L226 HydrophobicContact CE3-CD1 4.2Å; W222-L226 HydrophobicContact CE3-CD2 4.35Å; W222-L226 HydrophobicContact CE3-CG 4.06Å; W222-L226 HydrophobicContact CZ3-CD2 4.1Å; W222-L226 HydrophobicContact CZ3-CG 4.32Å; W222-L226 WeakPolarHBondContact O-CG 3.43Å; W222-L226 PolarHBondContact O-N 2.85Å; F223-L226 PolarHBondContact O-N 3.07Å; L226-M229 WeakPolarHBondContact O-CB 3.32Å; L226-M229 PolarHBondContact O-N 3.13Å; L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 3.42Å
227M70.8Confident68.9Low122 Ų12283.6 Ų83.660%0.60142%0.42SS*.Hα-helixtrans-62.3-42.9174.2-69.2-61.2-69.100111.7F223 F225 Q230 A231F223-M227 WeakPolarHBondContact O-CG 3.36Å; F223-M227 PolarHBondContact O-N 3.4Å; F225-M227 VanDerWaalsContact C-N 3.29Å; F225-M227 PolarHBondContact O-N 3Å; M227-Q230 PolarHBondContact O-N 2.92Å; M227-A231 WeakPolarHBondContact O-CB 3.28Å; M227-A231 PolarHBondContact O-N 3.47Å
228H71.1Confident69Low91 Ų9181.5 Ų81.542%0.42141%0.413SS..Hα-helixtrans-63.3-42.5175.5-170.6-75.5000111.9C224 F225 Q230 A231 V232C224-H228 WeakPolarHBondContact O-CB 3.4Å; C224-H228 PolarHBondContact O-N 3.17Å; F225-H228 PolarHBondContact O-N 3.39Å; H228-Q230 PolarHBondContact O-N 2.92Å; H228-A231 PolarHBondContact O-N 3.27Å; H228-V232 VanDerWaalsContact O-CG2 3.29Å; H228-V232 WeakPolarHBondContact O-CG2 3.37Å; H228-V232 PolarHBondContact O-N 3.45Å
229M66.9Low69.3Low44 Ų4485.4 Ų85.422%0.21743%0.432CS..Hα-helixtrans-58.9-44.5174.3-88.9-72.8-158.800112.2T37 F225 L226 V232 R233T37-M229 HydrophobicContact CG2-CB 4.35Å; T37-M229 HydrophobicContact CG2-CE 3.81Å; T37-M229 HydrophobicContact CG2-CG 3.46Å; T37-M229 VanDerWaalsContact CG2-CG 3.46Å; T37-M229 HydrophobicContact CG2-SD 3.25Å; T37-M229 WeakPolarHBondContact CG2-SD 3.4Å; F225-M229 HydrophobicContact CD1-CG 4.43Å; F225-M229 HydrophobicContact CE1-CE 4.13Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.16Å; F225-M229 HydrophobicContact CZ-CE 3.57Å; F225-M229 HydrophobicContact CZ-CG 3.63Å; F225-M229 HydrophobicContact CZ-SD 4.35Å; F225-M229 WeakPolarHBondContact O-CB 3.42Å; F225-M229 PolarHBondContact O-N 2.92Å; L226-M229 WeakPolarHBondContact O-CB 3.32Å; L226-M229 PolarHBondContact O-N 3.13Å; M229-V232 PolarHBondContact O-N 3.25Å; M229-R233 WeakPolarHBondContact O-CG 3.49Å; M229-R233 PolarHBondContact O-N 3.42Å
230Q71.6Confident69.6Low125 Ų12585.5 Ų85.558%0.58443%0.431SS*.Hα-helixtrans-65.1-44.4176.2-72.2-177.21.700111.7L226 M227 H228 V232 R233 Y234L226-Q230 WeakPolarHBondContact O-CG 3.26Å; L226-Q230 PolarHBondContact O-N 3.42Å; M227-Q230 PolarHBondContact O-N 2.92Å; H228-Q230 PolarHBondContact O-N 2.92Å; Q230-V232 VanDerWaalsContact C-N 3.32Å; Q230-V232 PolarHBondContact O-N 3.42Å; Q230-R233 PolarHBondContact O-N 3.47Å; Q230-Y234 WeakPolarHBondContact O-CB 3.17Å; Q230-Y234 PolarHBondContact O-N 2.92Å
231A67.2Low69.8Low54 Ų5486.1 Ų86.145%0.44644%0.436SS..Hα-helixtrans-60.2-41.1177.300000112.2M227 H228 Y234 T235M227-A231 WeakPolarHBondContact O-CB 3.28Å; M227-A231 PolarHBondContact O-N 3.47Å; H228-A231 PolarHBondContact O-N 3.27Å; A231-Y234 PolarHBondContact O-N 3.36Å; A231-T235 WeakPolarHBondContact O-CB 3.32Å; A231-T235 PolarHBondContact O-N 3Å; A231-T235 PolarHBondContact O-OG1 2.91Å
232V67.9Low69.9Low16 Ų1689 Ų8910%0.09745%0.445CS..Hα-helixtrans-66.5-42.1176.2171.10000111.4M33 H228 M229 Q230 T235 R236M33-V232 HydrophobicContact CB-CG1 4.19Å; H228-V232 VanDerWaalsContact O-CG2 3.29Å; H228-V232 WeakPolarHBondContact O-CG2 3.37Å; H228-V232 PolarHBondContact O-N 3.45Å; M229-V232 PolarHBondContact O-N 3.25Å; Q230-V232 VanDerWaalsContact C-N 3.32Å; Q230-V232 PolarHBondContact O-N 3.42Å; V232-T235 PolarHBondContact O-N 2.99Å; V232-R236 PolarHBondContact O-N 3.39Å
233R70.2Confident70Confident168 Ų16889.5 Ų89.563%0.63445%0.453SS*.Hα-helixtrans-61-47.5174.6-74.8179.6-177.2-174.71.5111.4M229 Q230 T235 R236 C237M229-R233 WeakPolarHBondContact O-CG 3.49Å; M229-R233 PolarHBondContact O-N 3.42Å; Q230-R233 PolarHBondContact O-N 3.47Å; R233-T235 PolarHBondContact O-N 2.92Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 2.92Å; R233-C237 PolarHBondContact O-N 2.93Å; R233-C237 PolarHBondContact O-SG 3.49Å
234Y69.8Low70.1Confident173 Ų17389.9 Ų89.968%0.67846%0.455SS*.Hα-helixtrans-59.9-48.3179-169.3-93.9000111.3Q230 A231 R236 C237 C238Q230-Y234 WeakPolarHBondContact O-CB 3.17Å; Q230-Y234 PolarHBondContact O-N 2.92Å; A231-Y234 PolarHBondContact O-N 3.36Å; Y234-R236 VanDerWaalsContact C-N 3.27Å; Y234-R236 PolarHBondContact O-N 3.25Å; Y234-C237 PolarHBondContact O-N 2.96Å; Y234-C237 VanDerWaalsContact O-N 3.14Å; Y234-C238 VanDerWaalsContact CE1-SG 3.5Å; Y234-C238 PolarHBondContact O-N 3.38Å; Y234-C238 PolarHBondContact O-SG 3.38Å; Y234-C238 VanDerWaalsContact O-SG 3.36Å
235T69Low70.1Confident62 Ų6288.4 Ų88.438%0.3845%0.449SS..Hα-helixtrans-57.9-40177.3-54.10000111.8M33 A231 V232 R233 C238 L239M33-T235 HydrophobicContact CE-CG2 4.02Å; A231-T235 WeakPolarHBondContact O-CB 3.32Å; A231-T235 PolarHBondContact O-N 3Å; A231-T235 PolarHBondContact O-OG1 2.91Å; V232-T235 PolarHBondContact O-N 2.99Å; R233-T235 PolarHBondContact O-N 2.92Å; T235-C238 PolarHBondContact O-N 2.91Å; T235-L239 HydrophobicContact CG2-CD1 4.33Å; T235-L239 WeakPolarHBondContact O-CG 3.44Å; T235-L239 PolarHBondContact O-N 3.25Å
236R66.8Low69.9Low76 Ų7696.4 Ų96.429%0.28748%0.479SS..Hα-helixtrans-65.9-44.8176.5-176-180177.2168.61.5112.1M34 V232 R233 Y234 C238 L239 Q240M34-R236 VanDerWaalsContact CE-NH1 3.32Å; V232-R236 PolarHBondContact O-N 3.39Å; R233-R236 WeakPolarHBondContact O-CB 3.45Å; R233-R236 PolarHBondContact O-N 2.92Å; Y234-R236 VanDerWaalsContact C-N 3.27Å; Y234-R236 PolarHBondContact O-N 3.25Å; R236-C238 VanDerWaalsContact C-N 3.3Å; R236-C238 PolarHBondContact O-N 2.93Å; R236-L239 PolarHBondContact O-N 3.43Å; R236-Q240 HydrophobicContact CG-CG 4.48Å; R236-Q240 WeakPolarHBondContact O-CG 3.44Å; R236-Q240 PolarHBondContact O-N 3.26Å
237C68.9Low69.5Low77 Ų7797.7 Ų97.752%0.5249%0.486SS..Hα-helixtrans-59.9-41.9176.4-70.20000111.2R233 Y234 Q240 A241R233-C237 PolarHBondContact O-N 2.93Å; R233-C237 PolarHBondContact O-SG 3.49Å; Y234-C237 PolarHBondContact O-N 2.96Å; Y234-C237 VanDerWaalsContact O-N 3.14Å; C237-Q240 PolarHBondContact O-N 3.21Å; C237-A241 WeakPolarHBondContact O-CB 3.33Å; C237-A241 PolarHBondContact O-N 3.37Å
238C71.2Confident69Low60 Ų6098.1 Ų98.141%0.40549%0.487SS..Hα-helixtrans-63.6-42.3175.4-65.90000112.8Y234 T235 R236 A241 K242Y234-C238 VanDerWaalsContact CE1-SG 3.5Å; Y234-C238 PolarHBondContact O-N 3.38Å; Y234-C238 PolarHBondContact O-SG 3.38Å; Y234-C238 VanDerWaalsContact O-SG 3.36Å; T235-C238 PolarHBondContact O-N 2.91Å; R236-C238 VanDerWaalsContact C-N 3.3Å; R236-C238 PolarHBondContact O-N 2.93Å; C238-A241 PolarHBondContact O-N 2.87Å; C238-K242 WeakPolarHBondContact O-CB 3.46Å; C238-K242 PolarHBondContact O-N 2.9Å
239L72.6Confident68.4Low92 Ų9297.2 Ų97.248%0.48249%0.491SS..Hα-helixtrans-64.6-44.1176.3-72.4171.8000111.7T235 R236 A241 K242 D243T235-L239 HydrophobicContact CG2-CD1 4.33Å; T235-L239 WeakPolarHBondContact O-CG 3.44Å; T235-L239 PolarHBondContact O-N 3.25Å; R236-L239 PolarHBondContact O-N 3.43Å; L239-A241 PolarHBondContact O-N 3.04Å; L239-K242 WeakPolarHBondContact O-CB 3.18Å; L239-K242 PolarHBondContact O-N 3.48Å; L239-D243 PolarHBondContact O-N 3.05Å
240Q73.7Confident67.8Low97 Ų9798.6 Ų98.645%0.45351%0.505SS..Hα-helixtrans-64.9-37.9177.1-73.4-177.2-27.800112.8R236 C237 K242 D243 K244R236-Q240 HydrophobicContact CG-CG 4.48Å; R236-Q240 WeakPolarHBondContact O-CG 3.44Å; R236-Q240 PolarHBondContact O-N 3.26Å; C237-Q240 PolarHBondContact O-N 3.21Å; Q240-K242 VanDerWaalsContact C-N 3.34Å; Q240-D243 PolarHBondContact O-N 3.12Å; Q240-K244 WeakPolarHBondContact O-CG 3.41Å; Q240-K244 PolarHBondContact O-N 3.17Å
241A70.8Confident67Low60 Ų60100 Ų10050%0.49651%0.509SS..Hα-helixtrans-64.7-40.1174.100000111.4C237 C238 L239 K244 A245C237-A241 WeakPolarHBondContact O-CB 3.33Å; C237-A241 PolarHBondContact O-N 3.37Å; C238-A241 PolarHBondContact O-N 2.87Å; L239-A241 PolarHBondContact O-N 3.04Å; A241-K244 PolarHBondContact O-N 3.3Å; A241-A245 WeakPolarHBondContact O-CB 3.43Å; A241-A245 PolarHBondContact O-N 2.99Å
242K72.3Confident66.2Low153 Ų153103 Ų10367%0.66551%0.514SS*.Hα-helixtrans-65.3-40.7176.2-172.6177179.5174.80112.6C238 L239 Q240 A245 R246C238-K242 WeakPolarHBondContact O-CB 3.46Å; C238-K242 PolarHBondContact O-N 2.9Å; L239-K242 WeakPolarHBondContact O-CB 3.18Å; L239-K242 PolarHBondContact O-N 3.48Å; Q240-K242 VanDerWaalsContact C-N 3.34Å; K242-A245 PolarHBondContact O-N 3.48Å; K242-R246 WeakPolarHBondContact O-CB 3.41Å; K242-R246 PolarHBondContact O-N 3.45Å
243D72.4Confident65.2Low92 Ų92104 Ų10449%0.49253%0.527SS..Hα-helixtrans-67-42.5177.5-69.3-22.3000111.3L239 Q240 R246 D247L239-D243 PolarHBondContact O-N 3.05Å; Q240-D243 PolarHBondContact O-N 3.12Å; D243-R246 WeakPolarHBondContact O-CB 3.32Å; D243-R246 PolarHBondContact O-N 3.04Å; D243-D247 PolarHBondContact O-N 3.06Å
244K71.6Confident64.1Low146 Ų146103.3 Ų103.364%0.63553%0.531SS*.Hα-helixtrans-60.7-45.9173.8-76.7-175.7178.3-174.10112.7Q240 A241 R246 D247 E248Q240-K244 WeakPolarHBondContact O-CG 3.41Å; Q240-K244 PolarHBondContact O-N 3.17Å; A241-K244 PolarHBondContact O-N 3.3Å; K244-R246 PolarHBondContact O-N 3.34Å; K244-D247 PolarHBondContact O-N 3.23Å; K244-E248 WeakPolarHBondContact O-CG 3.4Å; K244-E248 PolarHBondContact O-N 3.43Å
245A67.1Low63Low56 Ų56105.6 Ų105.646%0.46354%0.538SS..Hα-helixtrans-61.8-34.4177.400000111.8A241 K242 S249A241-A245 WeakPolarHBondContact O-CB 3.43Å; A241-A245 PolarHBondContact O-N 2.99Å; K242-A245 PolarHBondContact O-N 3.48Å; A245-S249 WeakPolarHBondContact O-CB 3.48Å; A245-S249 PolarHBondContact O-N 3.04Å; A245-S249 PolarHBondContact O-OG 3.29Å
246R65.4Low61.9Low182 Ų182109.4 Ų109.469%0.68755%0.549SS*.Hα-helixtrans-69-44.4175.3-164.8179.4-175.1-172-1.1111.9K242 D243 K244 S249 S250K242-R246 WeakPolarHBondContact O-CB 3.41Å; K242-R246 PolarHBondContact O-N 3.45Å; D243-R246 WeakPolarHBondContact O-CB 3.32Å; D243-R246 PolarHBondContact O-N 3.04Å; K244-R246 PolarHBondContact O-N 3.34Å; R246-S249 WeakPolarHBondContact CA-OG 3.48Å; R246-S249 PolarHBondContact O-N 3.37Å; R246-S249 PolarHBondContact O-OG 3.21Å; R246-S250 WeakPolarHBondContact O-CB 3.48Å; R246-S250 PolarHBondContact O-N 2.94Å
247D63Low60.9Low106 Ų106114.7 Ų114.757%0.56758%0.575SS**Hα-helixtrans-65.3-38.1177.4-73.8-13.8000112.1D243 K244 S250 K251D243-D247 PolarHBondContact O-N 3.06Å; K244-D247 PolarHBondContact O-N 3.23Å; D247-S250 PolarHBondContact O-N 3.5Å; D247-K251 WeakPolarHBondContact O-CG 3.46Å; D247-K251 PolarHBondContact O-N 2.96Å
248E60.2Low59.8Low130 Ų130118.6 Ų118.661%0.60759%0.59SS**Hα-helixtrans-66.4-45.2173.3-74.7174.6179.600111.2K244 S250 K251 E252K244-E248 WeakPolarHBondContact O-CG 3.4Å; K244-E248 PolarHBondContact O-N 3.43Å; E248-S250 PolarHBondContact O-N 3.09Å; E248-K251 PolarHBondContact O-N 3.45Å; E248-K251 VanDerWaalsContact O-N 3.13Å; E248-E252 WeakPolarHBondContact O-CB 3.48Å; E248-E252 PolarHBondContact O-N 3.4Å
249S57.2Low58.2Low73 Ų73119.2 Ų119.251%0.5160%0.595SS.*Hα-helixtrans-62.9-29.8174.971.40000113.3A245 R246 G253A245-S249 WeakPolarHBondContact O-CB 3.48Å; A245-S249 PolarHBondContact O-N 3.04Å; A245-S249 PolarHBondContact O-OG 3.29Å; R246-S249 WeakPolarHBondContact CA-OG 3.48Å; R246-S249 PolarHBondContact O-N 3.37Å; R246-S249 PolarHBondContact O-OG 3.21Å; S249-G253 PolarHBondContact O-N 3.37Å
250S55.2Low56.7Low73 Ų73123.2 Ų123.251%0.5161%0.611SS.*Hα-helixtrans-72-38.3174.5-170.60000112R246 D247 E248 G253 E254R246-S250 WeakPolarHBondContact O-CB 3.48Å; R246-S250 PolarHBondContact O-N 2.94Å; D247-S250 PolarHBondContact O-N 3.5Å; E248-S250 PolarHBondContact O-N 3.09Å; S250-G253 PolarHBondContact O-N 3.11Å; S250-E254 PolarHBondContact O-N 3.49Å
251K54.6Low54.7Low154 Ų154124.5 Ų124.567%0.6763%0.626SS**Hα-helixtrans-72.1-32.4175.4-73.2179.4179.4-179.50112.3D247 E248 R255D247-K251 WeakPolarHBondContact O-CG 3.46Å; D247-K251 PolarHBondContact O-N 2.96Å; E248-K251 PolarHBondContact O-N 3.45Å; E248-K251 VanDerWaalsContact O-N 3.13Å; K251-R255 PolarHBondContact O-N 3.49Å
252E50.6Low53.1Low117 Ų117129.5 Ų129.555%0.54764%0.643SS.*Hα-helixtrans-72.4-34.4173.2-150.9116.8-151.800111.4E248 R255 K256E248-E252 WeakPolarHBondContact O-CB 3.48Å; E248-E252 PolarHBondContact O-N 3.4Å; E252-R255 PolarHBondContact O-N 3.29Å; E252-K256 HydrophobicContact CG-CD 4.49Å; E252-K256 WeakPolarHBondContact O-CB 3.45Å; E252-K256 WeakPolarHBondContact O-CG 3.48Å; E252-K256 PolarHBondContact O-N 3.3Å
253G47.2Very low51.3Low36 Ų36126.7 Ų126.737%0.37165%0.648SS.*Hα-helixtrans-66.9-31.6174.300000114.5S249 S250 K257S249-G253 PolarHBondContact O-N 3.37Å; S250-G253 PolarHBondContact O-N 3.11Å; G253-K257 PolarHBondContact O-N 3.34Å
254E46.4Very low49.4Very low155 Ų155129.2 Ų129.272%0.72466%0.661SS**Hα-helixtrans-75.8-31.3171.3-79.7-171.3154.600112.8S250S250-E254 PolarHBondContact O-N 3.49Å
255R46.9Very low47.7Very low220 Ų220132.4 Ų132.483%0.8368%0.676SS**Hα-helixtrans-75.2-30.7173.5-88.6-175.9172.4-179-2.7113.6K251 E252K251-R255 PolarHBondContact O-N 3.49Å; E252-R255 PolarHBondContact O-N 3.29Å
256K46Very low46Very low142 Ų142137.4 Ų137.462%0.61769%0.69SS**Hα-helixtrans-85.8-11.2-179.6-72.4-175.4176.41800114.8E252 N258 S259E252-K256 HydrophobicContact CG-CD 4.49Å; E252-K256 WeakPolarHBondContact O-CB 3.45Å; E252-K256 WeakPolarHBondContact O-CG 3.48Å; E252-K256 PolarHBondContact O-N 3.3Å; K256-N258 PolarHBondContact O-N 3.39Å; K256-S259 PolarHBondContact O-N 2.89Å
257K45.1Very low44.4Very low188 Ų188135 Ų13582%0.81769%0.69SS**THydrogen-bonded Turntrans-68.9-8.9174.4-102-176.8176.6-179.50114.9G253G253-K257 PolarHBondContact O-N 3.34Å
258N45.3Very low43Very low158 Ų158139.3 Ų139.385%0.84571%0.707SS**THydrogen-bonded Turntrans-102.58.8173.8-76-6000113.9K256K256-N258 PolarHBondContact O-N 3.39Å
259S39.3Very low41.9Very low73 Ų73141.9 Ų141.951%0.5172%0.716SS.*SBendtrans-149.293.5-176.2171.40000109.4K256K256-S259 PolarHBondContact O-N 2.89Å
260E39.5Very low40.6Very low176 Ų176149.8 Ų149.882%0.82274%0.735SS**  trans56.4110.2150-65.1175.5157.200118.1
261T32.2Very low40Very low125 Ų125151.8 Ų151.877%0.76775%0.746SS**  trans11.5124.2131.535.50000117.3
262I37.5Very low39Very low165 Ų165152.4 Ų152.485%0.84676%0.755SS**  166.4125.9124.2-81.5152.8000111.8
263A34.8Very low38.4Very low93 Ų93150.8 Ų150.877%0.76976%0.761SS**  trans71.4124.1149.600000123.2
264D31.5Very low38Very low145 Ų145152.6 Ų152.678%0.77577%0.769SS**  trans-42.2142.5159.5-73-57000115.1
265F37.6Very low37.7Very low213 Ų213152.7 Ų152.793%0.93477%0.773SS**  trans-144.593.9136.8-101.5-78.2000110.2
266E31.1Very low37.3Very low162 Ų162152.3 Ų152.376%0.75777%0.772SS**  trans-42.7149.3148.8-163.6175.8-16700111.7
267N31.6Very low37Very low130 Ų130149.5 Ų149.570%0.69577%0.77SS**  trans94.791.2175.9-59.7-57.4000118.3
268Q33.9Very low36.7Very low197 Ų197147 Ų14792%0.92177%0.765SS**  trans-141.492.6134.9-121.6175.71800111.9R270Q268-R270 PolarHBondContact O-N 3.13Å
269K35.3Very low36.8Very low184 Ų184144.6 Ų144.680%0.876%0.756SS**  trans-47.4129.1167.6-74.4171.5175173.50110.6P271K269-P271 WeakPolarHBondContact O-CD 3.44Å
270R31.8Very low36.8Very low239 Ų239148.3 Ų148.390%0.90277%0.765SS**  trans-61.5137.3160.4-64176.3-179.7-1790108.8Q268Q268-R270 PolarHBondContact O-N 3.13Å
271P41.8Very low36.9Very low116 Ų116141.5 Ų141.575%0.75374%0.742SS**  trans-117.1114.6148.922.1-4.4000109.4K269 A273K269-P271 WeakPolarHBondContact O-CD 3.44Å; P271-A273 VanDerWaalsContact C-N 3.27Å; P271-A273 PolarHBondContact O-N 3.28Å
272I33.1Very low37.3Very low167 Ų167142.2 Ų142.286%0.85674%0.741SS**  trans-61.598.3152.2-63.1167.2000104.6S274I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.92Å
273A38.2Very low37.3Very low82 Ų82139 Ų13968%0.67873%0.732SS**  trans-70.195.7177.600000108.8P271P271-A273 VanDerWaalsContact C-N 3.27Å; P271-A273 PolarHBondContact O-N 3.28Å
274S38.5Very low37.7Very low75 Ų75139.9 Ų139.952%0.52473%0.729SS.*  trans-48.8137.5163156.30000110.7I272 R276 S277I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.92Å; S274-R276 PolarHBondContact O-N 3.07Å; S274-R276 PolarHBondContact OG-N 3.39Å; S274-S277 PolarHBondContact O-N 3.24Å
275L40.1Very low38Very low157 Ų157139.7 Ų139.782%0.82273%0.727SS**THydrogen-bonded Turntrans-46.5-19.3175.7-98.5133.1000114.9S277 L278L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 2.91Å; L275-L278 PolarHBondContact O-N 2.75Å
276R38.7Very low37.9Very low212 Ų212135.5 Ų135.580%0.872%0.724SS**Hα-helixtrans-65.8-27.5173.1-96-177.9-178.7164.61.1114.4S274 L278S274-R276 PolarHBondContact O-N 3.07Å; S274-R276 PolarHBondContact OG-N 3.39Å; R276-L278 VanDerWaalsContact C-N 3.33Å
277S39.5Very low38.1Very low83 Ų83130.1 Ų130.158%0.5871%0.712SS**Hα-helixtrans-74.1-23.3179.9176.60000113.2S274 L275S274-S277 PolarHBondContact O-N 3.24Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 2.91Å
278L39.9Very low38.2Very low134 Ų134130.7 Ų130.770%0.70272%0.72SS**Hα-helixtrans-77.2-26.9-178.5-132100.2000112.3L275 R276L275-L278 PolarHBondContact O-N 2.75Å; R276-L278 VanDerWaalsContact C-N 3.33Å
279V46.1Very low38.3Very low108 Ų108126.4 Ų126.466%0.65571%0.709SS**Hα-helixtrans-76.8-29.4-179.3-179.70000111.7
280H41.2Very low38.2Very low151 Ų151123 Ų12370%0.69971%0.708SS**Hα-helixtrans-83.6-18.9175.1-87.5-73.1000114.3S283H280-S283 PolarHBondContact O-OG 3.43Å
281G40.8Very low38.7Very low34 Ų34119.4 Ų119.435%0.35171%0.706SS.*G310 helixtrans-80-13.5179.700000115S283G281-S283 VanDerWaalsContact C-N 3.29Å; G281-S283 PolarHBondContact O-N 2.93Å
282L40.6Very low38.5Very low140 Ų140119 Ų11973%0.73370%0.703SS**G310 helixtrans-80-8.1178.5-87.6152.4000113.4
283S37.3Very low38.5Very low96 Ų96119.8 Ų119.867%0.67170%0.704SS**G310 helixtrans-88.9-7.7-176.9-34.30000114.5H280 G281H280-S283 PolarHBondContact O-OG 3.43Å; G281-S283 VanDerWaalsContact C-N 3.29Å; G281-S283 PolarHBondContact O-N 2.93Å
284T44Very low38.5Very low113 Ų113121.8 Ų121.869%0.69371%0.707SS**  trans-127.612.8-166.648.20000115.3S286T284-S286 PolarHBondContact O-N 3.26Å
285L37.7Very low38.4Very low141 Ų141127 Ų12774%0.73872%0.72SS**  trans-94.563.1-179.4-89.3145.2000112.4
286S34.2Very low38.3Very low124 Ų124125.4 Ų125.487%0.86772%0.721SS**  trans-101.583.9156.172.10000108.3T284T284-S286 PolarHBondContact O-N 3.26Å
287G35.5Very low38.5Very low49 Ų49124.2 Ų124.251%0.50572%0.724SS.*  trans16785.4-177.500000109.1P289G287-P289 WeakPolarHBondContact O-CD 3.44Å
288V33.2Very low38.4Very low142 Ų142129.9 Ų129.986%0.86174%0.739SS**  trans-92.8104.1173.8178.70000107.5
289P36Very low38.5Very low107 Ų107132.9 Ų132.970%0.69575%0.746SS**PPolyproline II helixtrans-86.4129.715529.4-21.3000108.4G287 L291G287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-L291 PolarHBondContact O-N 3.32Å
290S34.3Very low37.9Very low112 Ų112134.3 Ų134.378%0.78376%0.755SS**PPolyproline II helixtrans-47.5124.7173.346.10000111.9
291L42.4Very low37.8Very low164 Ų164136.2 Ų136.286%0.85976%0.762SS**PPolyproline II helixtrans-68.4137.2174.1-84.494.2000110.8P289P289-L291 PolarHBondContact O-N 3.32Å
292P37Very low37.6Very low107 Ų107139.7 Ų139.770%0.69578%0.778SS**PPolyproline II helixtrans-72.8136.4171.828.7-30.4000110.9V294P292-V294 PolarHBondContact O-N 3.2Å
293E32.6Very low37.4Very low185 Ų185139 Ų13986%0.86478%0.782SS**  trans-61.5110.6168.5-80.7-173143.500110.1
294V39.4Very low37.9Very low124 Ų124143.4 Ų143.475%0.75279%0.794SS**  trans-96102.2172.1-175.20000109.1P292 C296P292-V294 PolarHBondContact O-N 3.2Å; V294-C296 PolarHBondContact O-N 3.19Å
295K35.4Very low38.1Very low184 Ų184149.3 Ų149.380%0.882%0.821SS**  trans-66.8117.9166.9-73.4178.8179.4174.60109.3E297K295-E297 PolarHBondContact O-N 3.38Å
296C38.6Very low38.1Very low123 Ų123149.7 Ų149.783%0.83183%0.825SS**  trans-76.7105.5165.1-77.70000109.1V294 K298V294-C296 PolarHBondContact O-N 3.19Å; C296-K298 PolarHBondContact O-N 3.29Å
297E42.1Very low38.3Very low188 Ų188151.1 Ų151.188%0.87982%0.823SS**  trans-59.2123.9169-78.2-176.5147.100110.8K295 K299K295-E297 PolarHBondContact O-N 3.38Å; E297-K299 PolarHBondContact O-N 2.93Å
298K37.9Very low38.5Very low202 Ų202156.7 Ų156.788%0.87884%0.841SS**  trans-71.3113.9165.3-86.5179.8174.7177.40108.1C296 T300C296-K298 PolarHBondContact O-N 3.29Å; K298-T300 PolarHBondContact O-N 3.18Å
299K41.5Very low38.8Very low197 Ų197157.6 Ų157.686%0.85784%0.84SS**  trans-70.7111.9161.8-84.6-174.1173.7-176.40109.4E297E297-K299 PolarHBondContact O-N 2.93Å
300T34.9Very low39Very low138 Ų138160.8 Ų160.885%0.84785%0.849SS**PPolyproline II helixtrans-64.5128.3161.512.40000109.3K298K298-T300 PolarHBondContact O-N 3.18Å
301F38.9Very low39.3Very low191 Ų191164 Ų16484%0.83885%0.853SS**PPolyproline II helixtrans-79.4140.8166.7-78.7-90.3000109.1
302P36.5Very low39Very low107 Ų107164 Ų16470%0.69585%0.853SS**PPolyproline II helixtrans-70.2152.3172.730.2-31.9000110.3
303P36.5Very low39.2Very low125 Ų125168.4 Ų168.481%0.81287%0.865SS**PPolyproline II helixtrans-68136.3176.329.8-31.7000109.6
304M46.6Very low39.7Very low188 Ų188167 Ų16793%0.92687%0.865SS**PPolyproline II helixtrans-75.5127.2164.3-76178.2173.200108.2
305N48.7Very low39.8Very low237 Ų237170.9 Ų170.9100%1.26788%0.875SS**  trans-66.60154.7-84.9-9.3000110

Retrieved 305 of 305 residues in 85.7 ms (Link to these results)

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