A0A3Q0KHZ4_SCHMA Loading...

Ras-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 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
1M77.1Confident91.3Very high161 Ų16155.8 Ų55.879%0.79332%0.318SS*.  0127.50-173.3-178-8300109.4F6 R49M1-F6 HydrophobicContact CG-CB 4.45Å; M1-F6 VanDerWaalsContact SD-CA 3.59Å; M1-F6 HydrophobicContact SD-CB 3.97Å; M1-R49 PolarHBondContact O-NH1 2.9Å; M1-R49 PolarHBondContact O-NH2 3.15Å
2S87.3Confident91.8Very high65 Ų6564.6 Ų64.646%0.45534%0.342SS..  trans-61.7163.817459.60000111.3T4 G5 F6 R49S2-T4 VanDerWaalsContact C-N 3.29Å; S2-T4 PolarHBondContact OG-OG1 3.11Å; S2-G5 PolarHBondContact OG-N 3.31Å; S2-F6 WeakPolarHBondContact O-CB 3.11Å; S2-F6 PolarHBondContact O-N 3.31Å; S2-F6 VanDerWaalsContact O-N 3.07Å; S2-R49 PolarHBondContact O-NH2 2.71Å
3I87.5Confident92.2Very high27 Ų2763.4 Ų63.414%0.13834%0.339CS..Hα-helixtrans-65.5-35.9174.9-168.463.1000111.8F6 Y7 R49 I58 L63 L66I3-F6 HydrophobicContact CD1-CD1 4.26Å; I3-F6 WeakPolarHBondContact O-CB 3.22Å; I3-F6 PolarHBondContact O-N 3.34Å; I3-Y7 WeakPolarHBondContact O-CB 3.18Å; I3-Y7 PolarHBondContact O-N 3.03Å; I3-R49 HydrophobicContact CD1-CG 4Å; I3-I58 HydrophobicContact CB-CD1 3.65Å; I3-I58 HydrophobicContact CD1-CD1 4.48Å; I3-I58 HydrophobicContact CG1-CD1 3.86Å; I3-I58 HydrophobicContact CG2-CD1 3.64Å; I3-L63 HydrophobicContact CD1-CD1 3.7Å; I3-L63 HydrophobicContact CG1-CD1 4.31Å; I3-L66 HydrophobicContact CD1-CD2 3.9Å; I3-L66 HydrophobicContact CG1-CD1 3.72Å; I3-L66 HydrophobicContact CG1-CD2 3.96Å; I3-L66 HydrophobicContact CG1-CG 4.49Å
4T88.9Confident92.5Very high86 Ų8659.1 Ų59.153%0.52832%0.317SS..Hα-helixtrans-64.3-47.8176.7500000111.4S2 F6 Y7 D8S2-T4 VanDerWaalsContact C-N 3.29Å; S2-T4 PolarHBondContact OG-OG1 3.11Å; T4-F6 VanDerWaalsContact C-N 3.27Å; T4-F6 PolarHBondContact O-N 3.47Å; T4-Y7 WeakPolarHBondContact O-CB 3.21Å; T4-Y7 PolarHBondContact O-N 3.48Å; T4-D8 PolarHBondContact O-N 3.06Å
5G92.6Very high92.7Very high25 Ų2564.4 Ų64.426%0.25833%0.331SS..Hα-helixtrans-64.7-31.9176.500000112.9S2 A9S2-G5 PolarHBondContact OG-N 3.31Å; G5-A9 VanDerWaalsContact O-CB 3.29Å; G5-A9 WeakPolarHBondContact O-CB 3.44Å; G5-A9 PolarHBondContact O-N 2.97Å; G5-A9 VanDerWaalsContact O-N 3.09Å
6F92.8Very high93Very high18 Ų1867 Ų678%0.07934%0.339CS..Hα-helixtrans-67.1-48.5171.8173.7-97.1000111.7M1 S2 I3 T4 D8 A9 V10 A45 I46 R49 L67M1-F6 HydrophobicContact CG-CB 4.45Å; M1-F6 VanDerWaalsContact SD-CA 3.59Å; M1-F6 HydrophobicContact SD-CB 3.97Å; S2-F6 WeakPolarHBondContact O-CB 3.11Å; S2-F6 PolarHBondContact O-N 3.31Å; S2-F6 VanDerWaalsContact O-N 3.07Å; I3-F6 HydrophobicContact CD1-CD1 4.26Å; I3-F6 WeakPolarHBondContact O-CB 3.22Å; I3-F6 PolarHBondContact O-N 3.34Å; T4-F6 VanDerWaalsContact C-N 3.27Å; T4-F6 PolarHBondContact O-N 3.47Å; F6-D8 PolarHBondContact O-N 3.17Å; F6-A9 PolarHBondContact O-N 2.84Å; F6-V10 HydrophobicContact CD1-CG2 4.49Å; F6-V10 HydrophobicContact CD2-CG2 4.41Å; F6-V10 HydrophobicContact CE1-CG2 4.02Å; F6-V10 HydrophobicContact CE2-CG2 3.93Å; F6-V10 HydrophobicContact CZ-CG2 3.72Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 3.11Å; F6-A45 HydrophobicContact CE2-CB 4.05Å; F6-A45 HydrophobicContact CZ-CB 4.44Å; F6-I46 HydrophobicContact CE1-CG1 4.47Å; F6-I46 HydrophobicContact CZ-CG1 4.09Å; F6-R49 HydrophobicContact CD1-CG 3.94Å; F6-R49 HydrophobicContact CE1-CB 3.95Å; F6-R49 HydrophobicContact CE1-CG 3.86Å; F6-R49 HydrophobicContact CE2-CB 4.41Å; F6-R49 HydrophobicContact CG-CG 4.34Å; F6-R49 HydrophobicContact CZ-CB 3.89Å; F6-R49 HydrophobicContact CZ-CG 4.2Å; F6-L67 HydrophobicContact CD1-CD2 4.49Å; F6-L67 HydrophobicContact CE1-CD2 3.77Å
7Y93.9Very high93.1Very high79 Ų7963.1 Ų63.131%0.3132%0.319SS..Hα-helixtrans-54.6-54176.2175-98.1000110.9I3 T4 A9 V10 I11 L66 C70I3-Y7 WeakPolarHBondContact O-CB 3.18Å; I3-Y7 PolarHBondContact O-N 3.03Å; T4-Y7 WeakPolarHBondContact O-CB 3.21Å; T4-Y7 PolarHBondContact O-N 3.48Å; Y7-A9 VanDerWaalsContact C-N 3.31Å; Y7-A9 PolarHBondContact O-N 2.8Å; Y7-V10 PolarHBondContact O-N 3.16Å; Y7-V10 VanDerWaalsContact O-N 3.13Å; Y7-I11 HydrophobicContact CD1-CG1 4.1Å; Y7-I11 HydrophobicContact CD2-CG1 4.24Å; Y7-I11 HydrophobicContact CE1-CG1 3.74Å; Y7-I11 HydrophobicContact CE2-CD1 3.96Å; Y7-I11 HydrophobicContact CE2-CG1 3.91Å; Y7-I11 HydrophobicContact CG-CG1 4.35Å; Y7-I11 WeakPolarHBondContact O-CG1 3.42Å; Y7-I11 PolarHBondContact O-N 3.11Å; Y7-L66 HydrophobicContact CD2-CD1 4.24Å; Y7-L66 HydrophobicContact CD2-CD2 3.89Å; Y7-L66 HydrophobicContact CD2-CG 3.6Å; Y7-L66 HydrophobicContact CE2-CG 4.34Å; Y7-L66 HydrophobicContact CG-CD1 4.37Å; Y7-L66 HydrophobicContact CG-CD2 4.4Å; Y7-L66 HydrophobicContact CG-CG 4.18Å; Y7-C70 VanDerWaalsContact CD2-SG 3.51Å
8D95.4Very high93.3Very high80 Ų8062.2 Ų62.243%0.42832%0.318SS..Hα-helixtrans-57.9-45.2-179.3-68.7-31.4000111.3T4 F6 V10 I11 W12T4-D8 PolarHBondContact O-N 3.06Å; F6-D8 PolarHBondContact O-N 3.17Å; D8-V10 VanDerWaalsContact C-N 3.35Å; D8-V10 PolarHBondContact O-N 3.43Å; D8-I11 PolarHBondContact O-N 2.77Å; D8-W12 WeakPolarHBondContact O-CB 3.39Å; D8-W12 PolarHBondContact O-N 2.73Å
9A96.1Very high93.3Very high41 Ų4161.4 Ų61.434%0.33932%0.321SS..Hα-helixtrans-58-46177.600000111.9G5 F6 Y7 W12 T13G5-A9 VanDerWaalsContact O-CB 3.29Å; G5-A9 WeakPolarHBondContact O-CB 3.44Å; G5-A9 PolarHBondContact O-N 2.97Å; G5-A9 VanDerWaalsContact O-N 3.09Å; F6-A9 PolarHBondContact O-N 2.84Å; Y7-A9 VanDerWaalsContact C-N 3.31Å; Y7-A9 PolarHBondContact O-N 2.8Å; A9-W12 PolarHBondContact O-N 2.77Å; A9-T13 PolarHBondContact O-N 2.71Å; A9-T13 PolarHBondContact O-OG1 2.83Å
10V96.5Very high93.3Very high9 Ų961.5 Ų61.56%0.05532%0.318CS..Hα-helixtrans-67.7-40.6179.4177.20000111.8F6 Y7 D8 W12 T13 G14 I46 C70 I74F6-V10 HydrophobicContact CD1-CG2 4.49Å; F6-V10 HydrophobicContact CD2-CG2 4.41Å; F6-V10 HydrophobicContact CE1-CG2 4.02Å; F6-V10 HydrophobicContact CE2-CG2 3.93Å; F6-V10 HydrophobicContact CZ-CG2 3.72Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 3.11Å; Y7-V10 PolarHBondContact O-N 3.16Å; Y7-V10 VanDerWaalsContact O-N 3.13Å; D8-V10 VanDerWaalsContact C-N 3.35Å; D8-V10 PolarHBondContact O-N 3.43Å; V10-W12 VanDerWaalsContact C-N 3.33Å; V10-W12 PolarHBondContact O-N 2.85Å; V10-T13 WeakPolarHBondContact O-CB 3.37Å; V10-T13 PolarHBondContact O-N 3.32Å; V10-G14 PolarHBondContact O-N 3.37Å; V10-I46 HydrophobicContact CG1-CD1 4.09Å; V10-I46 HydrophobicContact CG1-CG1 4.46Å; V10-C70 HydrophobicContact CB-CB 4.25Å; V10-C70 HydrophobicContact CG1-CB 3.69Å; V10-I74 HydrophobicContact CG1-CD1 4.01Å; V10-I74 HydrophobicContact CG1-CG1 3.75Å
11I96.3Very high93.3Very high23 Ų2358.9 Ų58.912%0.11830%0.304CS..Hα-helixtrans-61.4-43.2175.3-64.6-54000110.7Y7 D8 G14 R15 A73Y7-I11 HydrophobicContact CD1-CG1 4.1Å; Y7-I11 HydrophobicContact CD2-CG1 4.24Å; Y7-I11 HydrophobicContact CE1-CG1 3.74Å; Y7-I11 HydrophobicContact CE2-CD1 3.96Å; Y7-I11 HydrophobicContact CE2-CG1 3.91Å; Y7-I11 HydrophobicContact CG-CG1 4.35Å; Y7-I11 WeakPolarHBondContact O-CG1 3.42Å; Y7-I11 PolarHBondContact O-N 3.11Å; D8-I11 PolarHBondContact O-N 2.77Å; I11-G14 PolarHBondContact O-N 3.1Å; I11-R15 WeakPolarHBondContact O-CG 3.39Å; I11-R15 PolarHBondContact O-N 3.42Å; I11-A73 HydrophobicContact CD1-CB 3.61Å
12W97.1Very high94Very high161 Ų16157.3 Ų57.361%0.6130%0.299SS*.Hα-helixtrans-64.7-40175.5-79.6115.3000112.4D8 A9 V10 R15 F16D8-W12 WeakPolarHBondContact O-CB 3.39Å; D8-W12 PolarHBondContact O-N 2.73Å; A9-W12 PolarHBondContact O-N 2.77Å; V10-W12 VanDerWaalsContact C-N 3.33Å; V10-W12 PolarHBondContact O-N 2.85Å; W12-R15 PolarHBondContact O-N 3.48Å; W12-F16 VanDerWaalsContact O-CB 3.31Å; W12-F16 WeakPolarHBondContact O-CB 3.45Å; W12-F16 PolarHBondContact O-N 2.91Å
13T96.7Very high94.1Very high49 Ų4960 Ų6030%0.30131%0.306SS..Hα-helixtrans-58.9-47.3172.7-61.30000111.3A9 V10 R15 F16 L17 A42 I74A9-T13 PolarHBondContact O-N 2.71Å; A9-T13 PolarHBondContact O-OG1 2.83Å; V10-T13 WeakPolarHBondContact O-CB 3.37Å; V10-T13 PolarHBondContact O-N 3.32Å; T13-R15 PolarHBondContact O-N 3.05Å; T13-F16 PolarHBondContact O-N 3.39Å; T13-L17 HydrophobicContact CG2-CD1 4.03Å; T13-L17 HydrophobicContact CG2-CG 4.42Å; T13-L17 VanDerWaalsContact O-CG 3.31Å; T13-L17 WeakPolarHBondContact O-CG 3.44Å; T13-L17 PolarHBondContact O-N 3.02Å; T13-A42 HydrophobicContact CG2-CB 4.48Å; T13-I74 HydrophobicContact CG2-CD1 4.03Å
14G96.6Very high94.2Very high3 Ų362.8 Ų62.83%0.03132%0.317CS..Hα-helixtrans-61.5-41.1177.400000113.1V10 I11 T18 A73V10-G14 PolarHBondContact O-N 3.37Å; I11-G14 PolarHBondContact O-N 3.1Å; G14-T18 WeakPolarHBondContact O-CB 3.42Å; G14-T18 PolarHBondContact O-N 3.29Å; G14-T18 PolarHBondContact O-OG1 3.38Å; G14-A73 WeakPolarHBondContact CA-O 3.49Å
15R96.1Very high94.1Very high139 Ų13962.5 Ų62.553%0.52531%0.307SS..Hα-helixtrans-63.9-44.3174.5-72.9175.2179.2177.61.3112I11 W12 T13 T18 A19I11-R15 WeakPolarHBondContact O-CG 3.39Å; I11-R15 PolarHBondContact O-N 3.42Å; W12-R15 PolarHBondContact O-N 3.48Å; T13-R15 PolarHBondContact O-N 3.05Å; R15-T18 PolarHBondContact O-N 3.11Å; R15-A19 WeakPolarHBondContact O-CB 3.35Å; R15-A19 PolarHBondContact O-N 3.23Å
16F96.4Very high93.8Very high106 Ų10665.2 Ų65.247%0.46532%0.321SS..Hα-helixtrans-61.8-47.7177.8168.7-97.3000111.3W12 T13 T18 A19 Y20 W34W12-F16 VanDerWaalsContact O-CB 3.31Å; W12-F16 WeakPolarHBondContact O-CB 3.45Å; W12-F16 PolarHBondContact O-N 2.91Å; T13-F16 PolarHBondContact O-N 3.39Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.46Å; F16-A19 PolarHBondContact O-N 3.36Å; F16-Y20 HydrophobicContact CZ-CD2 4.41Å; F16-Y20 VanDerWaalsContact O-CB 3.3Å; F16-Y20 WeakPolarHBondContact O-CB 3.3Å; F16-Y20 PolarHBondContact O-N 2.71Å; F16-W34 AromaticContact CE1-CH2 3.63Å; F16-W34 HydrophobicContact CE1-CH2 3.63Å; F16-W34 HydrophobicContact CE1-CZ2 4.43Å; F16-W34 HydrophobicContact CE1-CZ3 4.45Å; F16-W34 AromaticContact CZ-CH2 3.89Å; F16-W34 HydrophobicContact CZ-CH2 3.89Å
17L96.2Very high93.5Very high0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-58.2-46.6176.4-71.2169.7000111.2T13 A19 Y20 E21 Y35 M38 I39 I74 P77T13-L17 HydrophobicContact CG2-CD1 4.03Å; T13-L17 HydrophobicContact CG2-CG 4.42Å; T13-L17 VanDerWaalsContact O-CG 3.31Å; T13-L17 WeakPolarHBondContact O-CG 3.44Å; T13-L17 PolarHBondContact O-N 3.02Å; L17-A19 PolarHBondContact O-N 3.16Å; L17-Y20 PolarHBondContact O-N 2.71Å; L17-E21 WeakPolarHBondContact O-CB 3.45Å; L17-E21 PolarHBondContact O-N 3.19Å; L17-Y35 HydrophobicContact CB-CE2 3.93Å; L17-Y35 HydrophobicContact CD2-CD2 3.66Å; L17-Y35 HydrophobicContact CD2-CE2 3.47Å; L17-Y35 VanDerWaalsContact CD2-CE2 3.47Å; L17-Y35 HydrophobicContact CD2-CG 4.37Å; L17-Y35 HydrophobicContact CG-CE2 4.31Å; L17-Y35 PolarHBondContact O-OH 3.18Å; L17-M38 HydrophobicContact CD2-CB 3.98Å; L17-I39 HydrophobicContact CD1-CG1 3.79Å; L17-I74 HydrophobicContact CD1-CD1 4.36Å; L17-P77 HydrophobicContact CB-CB 3.82Å; L17-P77 HydrophobicContact CB-CG 3.9Å; L17-P77 HydrophobicContact CD1-CG 4.31Å
18T95.2Very high93.2Very high47 Ų4763.3 Ų63.329%0.28832%0.322SS..Hα-helixtrans-59.1-45.7176.8-55.60000111.9G14 R15 F16 N22G14-T18 WeakPolarHBondContact O-CB 3.42Å; G14-T18 PolarHBondContact O-N 3.29Å; G14-T18 PolarHBondContact O-OG1 3.38Å; R15-T18 PolarHBondContact O-N 3.11Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-T18 PolarHBondContact O-N 3.46Å; T18-N22 VanDerWaalsContact O-CG 3.27Å; T18-N22 PolarHBondContact O-N 3.34Å; T18-N22 VanDerWaalsContact O-N 3.13Å; T18-N22 PolarHBondContact O-ND2 3.03Å
19A94.3Very high92.6Very high47 Ų4761.4 Ų61.439%0.38831%0.31SS..Hα-helixtrans-65.9-43.4178.700000111.7R15 F16 L17 N22 M23R15-A19 WeakPolarHBondContact O-CB 3.35Å; R15-A19 PolarHBondContact O-N 3.23Å; F16-A19 PolarHBondContact O-N 3.36Å; L17-A19 PolarHBondContact O-N 3.16Å; A19-N22 PolarHBondContact O-N 3.13Å; A19-M23 WeakPolarHBondContact O-CG 3.02Å; A19-M23 PolarHBondContact O-N 3.5Å
20Y93.6Very high92.1Very high64 Ų6465.8 Ų65.825%0.25133%0.327SS..Hα-helixtrans-62.1-44.8178.3-174.2-95.5000111.4F16 L17 N22 M23 F24 I28 W34 Y35F16-Y20 HydrophobicContact CZ-CD2 4.41Å; F16-Y20 VanDerWaalsContact O-CB 3.3Å; F16-Y20 WeakPolarHBondContact O-CB 3.3Å; F16-Y20 PolarHBondContact O-N 2.71Å; L17-Y20 PolarHBondContact O-N 2.71Å; Y20-N22 PolarHBondContact O-N 3.46Å; Y20-M23 PolarHBondContact O-N 2.79Å; Y20-F24 HydrophobicContact CD1-CB 4.45Å; Y20-F24 AromaticContact CD2-CD2 3.49Å; Y20-F24 HydrophobicContact CD2-CD2 3.49Å; Y20-F24 VanDerWaalsContact CD2-CD2 3.49Å; Y20-F24 HydrophobicContact CD2-CE2 4.1Å; Y20-F24 HydrophobicContact CD2-CG 4.39Å; Y20-F24 HydrophobicContact CE1-CB 4.07Å; Y20-F24 HydrophobicContact CE2-CB 4.18Å; Y20-F24 AromaticContact CE2-CD2 3.45Å; Y20-F24 HydrophobicContact CE2-CD2 3.45Å; Y20-F24 VanDerWaalsContact CE2-CD2 3.45Å; Y20-F24 HydrophobicContact CE2-CE2 4.1Å; Y20-F24 HydrophobicContact CE2-CG 4.02Å; Y20-F24 HydrophobicContact CG-CD2 4.13Å; Y20-F24 WeakPolarHBondContact O-CB 3.48Å; Y20-F24 PolarHBondContact O-N 2.95Å; Y20-I28 HydrophobicContact CD1-CD1 3.85Å; Y20-I28 HydrophobicContact CD1-CG1 4.05Å; Y20-I28 HydrophobicContact CE1-CD1 4.04Å; Y20-I28 HydrophobicContact CE1-CG1 3.68Å; Y20-W34 HydrophobicContact CD1-CZ3 4.17Å; Y20-W34 AromaticContact CE1-CZ3 3.98Å; Y20-W34 HydrophobicContact CE1-CZ3 3.98Å; Y20-Y35 AromaticContact CD1-CD2 3.93Å; Y20-Y35 HydrophobicContact CD1-CD2 3.93Å; Y20-Y35 HydrophobicContact CD1-CE2 4.17Å; Y20-Y35 HydrophobicContact CE1-CD2 4.44Å
21E92.3Very high91.7Very high6 Ų668.8 Ų68.83%0.02835%0.349CS..Hα-helixtrans-59.3-45.7175.8-173.5-174.7160.800112.4L17 M23 F24 R25 I28 Y35 A80 L81L17-E21 WeakPolarHBondContact O-CB 3.45Å; L17-E21 PolarHBondContact O-N 3.19Å; E21-M23 PolarHBondContact O-N 3.19Å; E21-F24 PolarHBondContact O-N 3.45Å; E21-R25 WeakPolarHBondContact O-CA 3.35Å; E21-R25 VanDerWaalsContact O-CB 3.3Å; E21-R25 WeakPolarHBondContact O-CB 3.35Å; E21-R25 PolarHBondContact O-N 3.46Å; E21-R25 IonicContact OE1-CZ 3.91Å; E21-R25 IonicContact OE1-NH1 3.1Å; E21-R25 PolarHBondContact OE1-NH1 3.23Å; E21-I28 HydrophobicContact CB-CD1 3.96Å; E21-I28 HydrophobicContact CG-CD1 4.06Å; E21-Y35 HydrophobicContact CB-CE2 4.28Å; E21-Y35 WeakPolarHBondContact CB-OH 3.44Å; E21-Y35 PolarHBondContact OE2-OH 3.18Å; E21-A80 WeakPolarHBondContact OE1-CA 3.23Å; E21-A80 WeakPolarHBondContact OE1-CB 3.47Å; E21-A80 VanDerWaalsContact OE1-O 3.08Å; E21-A80 WeakPolarHBondContact OE2-CB 3.49Å; E21-L81 HydrophobicContact CG-CD2 4.27Å; E21-L81 PolarHBondContact OE1-N 3.24Å
22N91.7Very high91.4Very high128 Ų12867.9 Ų67.968%0.68434%0.344SS*.Hα-helixtrans-62-29.5178.4-72.3-35.5000113T18 A19 Y20T18-N22 VanDerWaalsContact O-CG 3.27Å; T18-N22 PolarHBondContact O-N 3.34Å; T18-N22 VanDerWaalsContact O-N 3.13Å; T18-N22 PolarHBondContact O-ND2 3.03Å; A19-N22 PolarHBondContact O-N 3.13Å; Y20-N22 PolarHBondContact O-N 3.46Å
23M90.3Very high91Very high123 Ų12365.7 Ų65.761%0.60634%0.34SS*.Hα-helixtrans-92.9-33.7-177.8-68179.867.100113.4A19 Y20 E21A19-M23 WeakPolarHBondContact O-CG 3.02Å; A19-M23 PolarHBondContact O-N 3.5Å; Y20-M23 PolarHBondContact O-N 2.79Å; E21-M23 PolarHBondContact O-N 3.19Å
24F89.3Confident90.8Very high84 Ų8469.1 Ų69.137%0.36835%0.348SS..Hα-helixtrans-130.827.9-165.5-57.6-70000112.8Y20 E21 S26 S27 I28Y20-F24 HydrophobicContact CD1-CB 4.45Å; Y20-F24 AromaticContact CD2-CD2 3.49Å; Y20-F24 HydrophobicContact CD2-CD2 3.49Å; Y20-F24 VanDerWaalsContact CD2-CD2 3.49Å; Y20-F24 HydrophobicContact CD2-CE2 4.1Å; Y20-F24 HydrophobicContact CD2-CG 4.39Å; Y20-F24 HydrophobicContact CE1-CB 4.07Å; Y20-F24 HydrophobicContact CE2-CB 4.18Å; Y20-F24 AromaticContact CE2-CD2 3.45Å; Y20-F24 HydrophobicContact CE2-CD2 3.45Å; Y20-F24 VanDerWaalsContact CE2-CD2 3.45Å; Y20-F24 HydrophobicContact CE2-CE2 4.1Å; Y20-F24 HydrophobicContact CE2-CG 4.02Å; Y20-F24 HydrophobicContact CG-CD2 4.13Å; Y20-F24 WeakPolarHBondContact O-CB 3.48Å; Y20-F24 PolarHBondContact O-N 2.95Å; E21-F24 PolarHBondContact O-N 3.45Å; F24-S26 VanDerWaalsContact C-N 3.29Å; F24-S26 PolarHBondContact O-N 3.37Å; F24-S27 WeakPolarHBondContact O-CA 3.14Å; F24-S27 WeakPolarHBondContact O-CB 3.45Å; F24-S27 PolarHBondContact O-N 3.23Å; F24-I28 PolarHBondContact O-N 2.66Å
25R87.2Confident90.7Very high81 Ų8169.1 Ų69.131%0.30635%0.347SS..Hα-helixtrans-50-46.1-179.3-166.3178.4-177.779.6-1.5113.3E21 S27 I28 F29 A80 L81E21-R25 WeakPolarHBondContact O-CA 3.35Å; E21-R25 VanDerWaalsContact O-CB 3.3Å; E21-R25 WeakPolarHBondContact O-CB 3.35Å; E21-R25 PolarHBondContact O-N 3.46Å; E21-R25 IonicContact OE1-CZ 3.91Å; E21-R25 IonicContact OE1-NH1 3.1Å; E21-R25 PolarHBondContact OE1-NH1 3.23Å; R25-S27 VanDerWaalsContact C-N 3.34Å; R25-S27 PolarHBondContact O-N 3.02Å; R25-I28 WeakPolarHBondContact O-CB 3.47Å; R25-I28 PolarHBondContact O-N 2.9Å; R25-F29 HydrophobicContact CG-CD2 4.07Å; R25-F29 HydrophobicContact CG-CE2 3.48Å; R25-F29 VanDerWaalsContact CG-CE2 3.48Å; R25-F29 HydrophobicContact CG-CZ 4.11Å; R25-F29 WeakPolarHBondContact O-CD2 3.34Å; R25-F29 PolarHBondContact O-N 2.98Å; R25-F29 VanDerWaalsContact O-N 3.11Å; R25-A80 VanDerWaalsContact CZ-O 3.3Å; R25-A80 PolarHBondContact NH1-O 3.11Å; R25-A80 PolarHBondContact NH2-O 3.35Å; R25-L81 PolarHBondContact NH2-O 3.03Å; R25-L81 VanDerWaalsContact NH2-O 3.11Å
26S86.1Confident90.6Very high81 Ų8162.6 Ų62.657%0.56632%0.323SS*.Hα-helixtrans-61.5-42.1177.5520000112.1F24 I28 F29 N30F24-S26 VanDerWaalsContact C-N 3.29Å; F24-S26 PolarHBondContact O-N 3.37Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 2.85Å; S26-F29 PolarHBondContact O-N 3.41Å; S26-N30 VanDerWaalsContact O-CG 3.26Å; S26-N30 PolarHBondContact O-N 3.22Å; S26-N30 PolarHBondContact O-ND2 3.05Å
27S87Confident90.5Very high55 Ų5560.9 Ų60.939%0.38532%0.316SS..Hα-helixtrans-63.7-36.5175.1-53.90000112.4F24 R25 N30 S31F24-S27 WeakPolarHBondContact O-CA 3.14Å; F24-S27 WeakPolarHBondContact O-CB 3.45Å; F24-S27 PolarHBondContact O-N 3.23Å; R25-S27 VanDerWaalsContact C-N 3.34Å; R25-S27 PolarHBondContact O-N 3.02Å; S27-N30 PolarHBondContact O-N 3.36Å; S27-S31 PolarHBondContact O-N 3.24Å; S27-S31 VanDerWaalsContact O-N 3.15Å
28I86.7Confident90.5Very high3 Ų363.8 Ų63.82%0.01533%0.33CS..Hα-helixtrans-61.6-45.8174.1-64.7169.7000110Y20 E21 F24 R25 S26 N30 S31 P32 Y35 L81Y20-I28 HydrophobicContact CD1-CD1 3.85Å; Y20-I28 HydrophobicContact CD1-CG1 4.05Å; Y20-I28 HydrophobicContact CE1-CD1 4.04Å; Y20-I28 HydrophobicContact CE1-CG1 3.68Å; E21-I28 HydrophobicContact CB-CD1 3.96Å; E21-I28 HydrophobicContact CG-CD1 4.06Å; F24-I28 PolarHBondContact O-N 2.66Å; R25-I28 WeakPolarHBondContact O-CB 3.47Å; R25-I28 PolarHBondContact O-N 2.9Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 2.85Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.27Å; I28-S31 CarbonylContact O-C 2.99Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 VanDerWaalsContact O-N 3.13Å; I28-P32 HydrophobicContact CG2-CB 4.45Å; I28-P32 WeakPolarHBondContact O-CA 3.29Å; I28-P32 WeakPolarHBondContact O-CB 3.37Å; I28-P32 VanDerWaalsContact O-CD 3.31Å; I28-P32 WeakPolarHBondContact O-CD 3.48Å; I28-Y35 HydrophobicContact CD1-CD1 4.49Å; I28-Y35 HydrophobicContact CD1-CD2 3.67Å; I28-Y35 HydrophobicContact CD1-CE2 3.75Å; I28-Y35 HydrophobicContact CD1-CG 4.04Å; I28-Y35 HydrophobicContact CG1-CD2 4.17Å; I28-Y35 HydrophobicContact CG1-CG 4.3Å; I28-Y35 HydrophobicContact CG2-CD1 4.24Å; I28-Y35 HydrophobicContact CG2-CG 4.11Å; I28-L81 HydrophobicContact CD1-CD2 4.42Å; I28-L81 HydrophobicContact CG2-CD2 3.85Å
29F84Confident90.6Very high40 Ų4061.6 Ų61.618%0.17532%0.317CS..Hα-helixtrans-70.3-27.3-179.9-63.9-47.4000113.6R25 S26 S31 L81 V88 M92R25-F29 HydrophobicContact CG-CD2 4.07Å; R25-F29 HydrophobicContact CG-CE2 3.48Å; R25-F29 VanDerWaalsContact CG-CE2 3.48Å; R25-F29 HydrophobicContact CG-CZ 4.11Å; R25-F29 WeakPolarHBondContact O-CD2 3.34Å; R25-F29 PolarHBondContact O-N 2.98Å; R25-F29 VanDerWaalsContact O-N 3.11Å; S26-F29 PolarHBondContact O-N 3.41Å; F29-S31 VanDerWaalsContact C-N 3.28Å; F29-S31 PolarHBondContact O-N 3.27Å; F29-L81 HydrophobicContact CE1-CD2 4.4Å; F29-L81 WeakPolarHBondContact CZ-O 3.11Å; F29-V88 HydrophobicContact CD1-CB 4.05Å; F29-V88 HydrophobicContact CD1-CG1 3.64Å; F29-V88 HydrophobicContact CD2-CG1 3.93Å; F29-V88 HydrophobicContact CE1-CB 4.06Å; F29-V88 HydrophobicContact CE1-CG1 3.65Å; F29-V88 HydrophobicContact CE1-CG2 4.29Å; F29-V88 HydrophobicContact CE2-CG1 3.88Å; F29-V88 HydrophobicContact CG-CG1 3.8Å; F29-V88 HydrophobicContact CZ-CG1 3.77Å; F29-M92 HydrophobicContact CD1-CE 3.89Å; F29-M92 HydrophobicContact CE1-CE 3.81Å
30N85.2Confident90.7Very high133 Ų13359.3 Ų59.371%0.71130%0.298SS*.Hα-helixtrans-68.9-27.1171.3-67.1-22.9000112.7S26 S27 I28S26-N30 VanDerWaalsContact O-CG 3.26Å; S26-N30 PolarHBondContact O-N 3.22Å; S26-N30 PolarHBondContact O-ND2 3.05Å; S27-N30 PolarHBondContact O-N 3.36Å; I28-N30 VanDerWaalsContact C-N 3.3Å; I28-N30 PolarHBondContact O-N 3.27Å
31S87.1Confident90.9Very high72 Ų7259.3 Ų59.350%0.50330%0.302SS..  trans-156.482.1176.6-164.50000111.6S27 I28 F29 H33S27-S31 PolarHBondContact O-N 3.24Å; S27-S31 VanDerWaalsContact O-N 3.15Å; I28-S31 CarbonylContact O-C 2.99Å; I28-S31 PolarHBondContact O-N 2.99Å; I28-S31 VanDerWaalsContact O-N 3.13Å; F29-S31 VanDerWaalsContact C-N 3.28Å; F29-S31 PolarHBondContact O-N 3.27Å; S31-H33 PolarHBondContact O-N 3.43Å
32P89.6Confident91.1Very high3 Ų359.5 Ų59.52%0.01931%0.305CS..THydrogen-bonded Turntrans-75.5-13.7-170.827.4-35.3000113I28 W34 Y35 L36 M92 A95I28-P32 HydrophobicContact CG2-CB 4.45Å; I28-P32 WeakPolarHBondContact O-CA 3.29Å; I28-P32 WeakPolarHBondContact O-CB 3.37Å; I28-P32 VanDerWaalsContact O-CD 3.31Å; I28-P32 WeakPolarHBondContact O-CD 3.48Å; P32-W34 PolarHBondContact O-N 3.25Å; P32-Y35 PolarHBondContact O-N 3.43Å; P32-L36 HydrophobicContact CB-CD1 4.15Å; P32-L36 HydrophobicContact CB-CG 4.4Å; P32-L36 WeakPolarHBondContact O-CG 3.28Å; P32-L36 PolarHBondContact O-N 3.2Å; P32-M92 HydrophobicContact CB-CE 4.11Å; P32-M92 HydrophobicContact CB-SD 4.38Å; P32-A95 HydrophobicContact CB-CB 4.32Å; P32-A95 HydrophobicContact CG-CB 3.56Å
33H90.2Very high91.3Very high115 Ų11553.4 Ų53.453%0.53227%0.272SS..Hα-helixtrans-54-48.3-170.7-64.7-63.4000113.6S31 Q37S31-H33 PolarHBondContact O-N 3.43Å; H33-Q37 WeakPolarHBondContact O-CB 3.47Å; H33-Q37 PolarHBondContact O-N 2.87Å
34W91.2Very high91.6Very high122 Ų12248.6 Ų48.646%0.46225%0.249SC..Hα-helixtrans-66.4-42-178.2176.685.3000112.2F16 Y20 P32 Q37 M38F16-W34 AromaticContact CE1-CH2 3.63Å; F16-W34 HydrophobicContact CE1-CH2 3.63Å; F16-W34 HydrophobicContact CE1-CZ2 4.43Å; F16-W34 HydrophobicContact CE1-CZ3 4.45Å; F16-W34 AromaticContact CZ-CH2 3.89Å; F16-W34 HydrophobicContact CZ-CH2 3.89Å; Y20-W34 HydrophobicContact CD1-CZ3 4.17Å; Y20-W34 AromaticContact CE1-CZ3 3.98Å; Y20-W34 HydrophobicContact CE1-CZ3 3.98Å; P32-W34 PolarHBondContact O-N 3.25Å; W34-Q37 PolarHBondContact O-N 2.87Å; W34-M38 HydrophobicContact CD2-CG 4.3Å; W34-M38 HydrophobicContact CH2-CG 4.45Å; W34-M38 HydrophobicContact CZ2-CG 4Å; W34-M38 HydrophobicContact CZ2-SD 4.45Å; W34-M38 WeakPolarHBondContact O-CG 3.4Å; W34-M38 PolarHBondContact O-N 3.44Å
35Y94.4Very high91.8Very high2 Ų246.5 Ų46.51%0.00825%0.247CC..Hα-helixtrans-66.2-45.5-179.5-171.9-94.1000111.3L17 Y20 E21 I28 P32 Q37 M38 I39 P77 L81L17-Y35 HydrophobicContact CB-CE2 3.93Å; L17-Y35 HydrophobicContact CD2-CD2 3.66Å; L17-Y35 HydrophobicContact CD2-CE2 3.47Å; L17-Y35 VanDerWaalsContact CD2-CE2 3.47Å; L17-Y35 HydrophobicContact CD2-CG 4.37Å; L17-Y35 HydrophobicContact CG-CE2 4.31Å; L17-Y35 PolarHBondContact O-OH 3.18Å; Y20-Y35 AromaticContact CD1-CD2 3.93Å; Y20-Y35 HydrophobicContact CD1-CD2 3.93Å; Y20-Y35 HydrophobicContact CD1-CE2 4.17Å; Y20-Y35 HydrophobicContact CE1-CD2 4.44Å; E21-Y35 HydrophobicContact CB-CE2 4.28Å; E21-Y35 WeakPolarHBondContact CB-OH 3.44Å; E21-Y35 PolarHBondContact OE2-OH 3.18Å; I28-Y35 HydrophobicContact CD1-CD1 4.49Å; I28-Y35 HydrophobicContact CD1-CD2 3.67Å; I28-Y35 HydrophobicContact CD1-CE2 3.75Å; I28-Y35 HydrophobicContact CD1-CG 4.04Å; I28-Y35 HydrophobicContact CG1-CD2 4.17Å; I28-Y35 HydrophobicContact CG1-CG 4.3Å; I28-Y35 HydrophobicContact CG2-CD1 4.24Å; I28-Y35 HydrophobicContact CG2-CG 4.11Å; P32-Y35 PolarHBondContact O-N 3.43Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 3.44Å; Y35-M38 PolarHBondContact O-N 2.98Å; Y35-I39 HydrophobicContact CD1-CD1 3.74Å; Y35-I39 HydrophobicContact CE1-CD1 3.49Å; Y35-I39 VanDerWaalsContact CE1-CD1 3.49Å; Y35-I39 PolarHBondContact O-N 3.47Å; Y35-I39 VanDerWaalsContact O-N 3.17Å; Y35-P77 WeakPolarHBondContact OH-CB 3.41Å; Y35-L81 HydrophobicContact CD1-CD1 3.77Å; Y35-L81 HydrophobicContact CD1-CD2 4.09Å; Y35-L81 HydrophobicContact CD1-CG 4.31Å; Y35-L81 HydrophobicContact CE1-CD1 3.65Å; Y35-L81 HydrophobicContact CE1-CD2 3.71Å; Y35-L81 HydrophobicContact CE1-CG 3.79Å
36L94.8Very high92.2Very high2 Ų242.6 Ų42.61%0.0123%0.232CC..Hα-helixtrans-65.8-34.6175-66.3178.6000112P32 I39 T40 F78 L81 M92 A95 I96 P99P32-L36 HydrophobicContact CB-CD1 4.15Å; P32-L36 HydrophobicContact CB-CG 4.4Å; P32-L36 WeakPolarHBondContact O-CG 3.28Å; P32-L36 PolarHBondContact O-N 3.2Å; L36-I39 PolarHBondContact O-N 3.46Å; L36-T40 WeakPolarHBondContact O-CB 3.35Å; L36-T40 PolarHBondContact O-N 3.39Å; L36-T40 PolarHBondContact O-OG1 3.24Å; L36-F78 HydrophobicContact CD2-CD2 4.33Å; L36-F78 HydrophobicContact CD2-CE2 4.36Å; L36-L81 HydrophobicContact CD2-CD1 3.83Å; L36-M92 HydrophobicContact CD1-SD 3.83Å; L36-M92 HydrophobicContact CD2-SD 4.43Å; L36-A95 HydrophobicContact CD1-CB 3.78Å; L36-I96 HydrophobicContact CD1-CG1 4.1Å; L36-P99 HydrophobicContact CB-CG 3.95Å
37Q94.9Very high92.5Very high71 Ų7138.8 Ų38.833%0.33221%0.205SC..Hα-helixtrans-63.8-43.1175.4-171.463.839.900111H33 W34 Y35 I39 T40 D41H33-Q37 WeakPolarHBondContact O-CB 3.47Å; H33-Q37 PolarHBondContact O-N 2.87Å; W34-Q37 PolarHBondContact O-N 2.87Å; Y35-Q37 VanDerWaalsContact C-N 3.31Å; Y35-Q37 PolarHBondContact O-N 3.44Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 2.88Å; Q37-T40 WeakPolarHBondContact O-CB 3.37Å; Q37-T40 PolarHBondContact O-N 2.67Å; Q37-T40 VanDerWaalsContact O-N 3.13Å; Q37-D41 PolarHBondContact NE2-OD1 2.96Å; Q37-D41 WeakPolarHBondContact O-CB 3.4Å; Q37-D41 PolarHBondContact O-N 2.97Å
38M95.9Very high92.6Very high60 Ų6039 Ų3930%0.29620%0.202SC..Hα-helixtrans-62.5-39.4176.3-70.8-71.283.100113L17 W34 Y35 D41 A42L17-M38 HydrophobicContact CD2-CB 3.98Å; W34-M38 HydrophobicContact CD2-CG 4.3Å; W34-M38 HydrophobicContact CH2-CG 4.45Å; W34-M38 HydrophobicContact CZ2-CG 4Å; W34-M38 HydrophobicContact CZ2-SD 4.45Å; W34-M38 WeakPolarHBondContact O-CG 3.4Å; W34-M38 PolarHBondContact O-N 3.44Å; Y35-M38 PolarHBondContact O-N 2.98Å; M38-D41 HydrophobicContact CE-CB 4.42Å; M38-D41 VanDerWaalsContact CE-OD2 3.23Å; M38-D41 WeakPolarHBondContact CE-OD2 3.07Å; M38-A42 WeakPolarHBondContact O-CB 3.44Å; M38-A42 PolarHBondContact O-N 3.03Å; M38-A42 VanDerWaalsContact O-N 3.14Å
39I96.9Very high92.8Very high1 Ų140.2 Ų40.21%0.00521%0.207CC..Hα-helixtrans-61.5-48.8171.3-70.9165.2000110.1L17 Y35 L36 Q37 D41 A42 V43 I74 F78L17-I39 HydrophobicContact CD1-CG1 3.79Å; Y35-I39 HydrophobicContact CD1-CD1 3.74Å; Y35-I39 HydrophobicContact CE1-CD1 3.49Å; Y35-I39 VanDerWaalsContact CE1-CD1 3.49Å; Y35-I39 PolarHBondContact O-N 3.47Å; Y35-I39 VanDerWaalsContact O-N 3.17Å; L36-I39 PolarHBondContact O-N 3.46Å; Q37-I39 VanDerWaalsContact C-N 3.34Å; Q37-I39 PolarHBondContact O-N 2.88Å; I39-D41 PolarHBondContact O-N 3.41Å; I39-A42 PolarHBondContact O-N 3.08Å; I39-V43 HydrophobicContact CG2-CG2 4.38Å; I39-V43 WeakPolarHBondContact O-CG2 3.27Å; I39-V43 PolarHBondContact O-N 2.91Å; I39-I74 HydrophobicContact CB-CG2 4.35Å; I39-I74 HydrophobicContact CG1-CG2 4.42Å; I39-I74 HydrophobicContact CG2-CG2 3.86Å; I39-F78 HydrophobicContact CD1-CB 3.98Å; I39-F78 HydrophobicContact CD1-CD2 4.25Å; I39-F78 HydrophobicContact CG2-CB 4.43Å; I39-F78 HydrophobicContact CG2-CD2 4.43Å
40T96.7Very high92.9Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-58.5-48.6-179.1-56.70000111.8L36 Q37 A42 V43 I44 P99 I103L36-T40 WeakPolarHBondContact O-CB 3.35Å; L36-T40 PolarHBondContact O-N 3.39Å; L36-T40 PolarHBondContact O-OG1 3.24Å; Q37-T40 WeakPolarHBondContact O-CB 3.37Å; Q37-T40 PolarHBondContact O-N 2.67Å; Q37-T40 VanDerWaalsContact O-N 3.13Å; T40-A42 VanDerWaalsContact C-N 3.33Å; T40-A42 PolarHBondContact O-N 3.43Å; T40-V43 PolarHBondContact O-N 3.17Å; T40-I44 HydrophobicContact CG2-CD1 3.78Å; T40-I44 HydrophobicContact CG2-CG1 4.48Å; T40-I44 WeakPolarHBondContact O-CG1 3.46Å; T40-I44 PolarHBondContact O-N 3.42Å; T40-P99 VanDerWaalsContact OG1-CB 3.24Å; T40-P99 WeakPolarHBondContact OG1-CB 3.47Å; T40-I103 HydrophobicContact CG2-CG1 4.25Å
41D96.7Very high92.6Very high63 Ų6333.3 Ų33.334%0.33718%0.176SC..Hα-helixtrans-62.8-40.9-179.4-67.6-18.8000111.4Q37 M38 I39 I44 A45Q37-D41 PolarHBondContact NE2-OD1 2.96Å; Q37-D41 WeakPolarHBondContact O-CB 3.4Å; Q37-D41 PolarHBondContact O-N 2.97Å; M38-D41 HydrophobicContact CE-CB 4.42Å; M38-D41 VanDerWaalsContact CE-OD2 3.23Å; M38-D41 WeakPolarHBondContact CE-OD2 3.07Å; I39-D41 PolarHBondContact O-N 3.41Å; D41-I44 PolarHBondContact O-N 3.44Å; D41-A45 VanDerWaalsContact O-CB 3.31Å; D41-A45 WeakPolarHBondContact O-CB 3.42Å; D41-A45 PolarHBondContact O-N 3.22Å
42A97.1Very high91.9Very high10 Ų1034.8 Ų34.88%0.08317%0.173CC..Hα-helixtrans-64.5-42.3176.200000111.9T13 M38 I39 T40 A45 I46 I74T13-A42 HydrophobicContact CG2-CB 4.48Å; M38-A42 WeakPolarHBondContact O-CB 3.44Å; M38-A42 PolarHBondContact O-N 3.03Å; M38-A42 VanDerWaalsContact O-N 3.14Å; I39-A42 PolarHBondContact O-N 3.08Å; T40-A42 VanDerWaalsContact C-N 3.33Å; T40-A42 PolarHBondContact O-N 3.43Å; A42-A45 PolarHBondContact O-N 3.03Å; A42-I46 VanDerWaalsContact O-CG1 3.26Å; A42-I46 WeakPolarHBondContact O-CG1 3.3Å; A42-I46 PolarHBondContact O-N 3.28Å; A42-I74 HydrophobicContact CB-CD1 3.69Å; A42-I74 HydrophobicContact CB-CG1 3.87Å; A42-I74 HydrophobicContact CB-CG2 4.24Å
43V96.8Very high90.6Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-64.4-45.6177.21740000111.1I39 T40 A45 I46 I47 M71 I74 I103 I144 L148I39-V43 HydrophobicContact CG2-CG2 4.38Å; I39-V43 WeakPolarHBondContact O-CG2 3.27Å; I39-V43 PolarHBondContact O-N 2.91Å; T40-V43 PolarHBondContact O-N 3.17Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-A45 PolarHBondContact O-N 3.42Å; V43-I46 WeakPolarHBondContact O-CB 3.05Å; V43-I46 PolarHBondContact O-N 2.82Å; V43-I46 VanDerWaalsContact O-N 3.16Å; V43-I47 HydrophobicContact CG1-CD1 3.94Å; V43-I47 WeakPolarHBondContact O-CG1 3.36Å; V43-I47 PolarHBondContact O-N 3.29Å; V43-M71 HydrophobicContact CG1-CE 4.07Å; V43-M71 HydrophobicContact CG1-SD 4.38Å; V43-M71 HydrophobicContact CG2-CE 3.7Å; V43-M71 HydrophobicContact CG2-SD 4.17Å; V43-I74 HydrophobicContact CG2-CG2 3.94Å; V43-I103 HydrophobicContact CB-CD1 4.42Å; V43-I103 HydrophobicContact CB-CG1 4.49Å; V43-I103 HydrophobicContact CG1-CD1 4.12Å; V43-I103 HydrophobicContact CG1-CG1 4.04Å; V43-I103 HydrophobicContact CG1-CG2 4.13Å; V43-I144 HydrophobicContact CG1-CG2 4.48Å; V43-L148 HydrophobicContact CB-CD1 4.38Å; V43-L148 HydrophobicContact CG1-CD1 4.09Å; V43-L148 HydrophobicContact CG2-CD1 3.44Å; V43-L148 VanDerWaalsContact CG2-CD1 3.44Å
44I95.3Very high89.2Confident23 Ų2333.4 Ų33.412%0.11818%0.177CC..Hα-helixtrans-59.7-44.2175.5-71.1168.3000110.3T40 D41 I46 I47 D48 H106T40-I44 HydrophobicContact CG2-CD1 3.78Å; T40-I44 HydrophobicContact CG2-CG1 4.48Å; T40-I44 WeakPolarHBondContact O-CG1 3.46Å; T40-I44 PolarHBondContact O-N 3.42Å; D41-I44 PolarHBondContact O-N 3.44Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.43Å; I44-I47 PolarHBondContact O-N 3.15Å; I44-D48 WeakPolarHBondContact O-CB 3.46Å; I44-D48 PolarHBondContact O-N 3.47Å; I44-H106 HydrophobicContact CG1-CB 4.47Å; I44-H106 VanDerWaalsContact CG2-CD2 3.49Å; I44-H106 WeakPolarHBondContact CG2-CD2 3.1Å; I44-H106 WeakPolarHBondContact CG2-NE2 3.31Å
45A94.2Very high88Confident39 Ų3935 Ų3532%0.32219%0.188SC..Hα-helixtrans-61.6-36.3177.500000112.5F6 D41 A42 V43 R49F6-A45 HydrophobicContact CE2-CB 4.05Å; F6-A45 HydrophobicContact CZ-CB 4.44Å; D41-A45 VanDerWaalsContact O-CB 3.31Å; D41-A45 WeakPolarHBondContact O-CB 3.42Å; D41-A45 PolarHBondContact O-N 3.22Å; A42-A45 PolarHBondContact O-N 3.03Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-A45 PolarHBondContact O-N 3.42Å; A45-R49 VanDerWaalsContact O-CB 3.29Å; A45-R49 WeakPolarHBondContact O-CB 3.25Å; A45-R49 PolarHBondContact O-N 2.93Å
46I94.8Very high86.7Confident0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-65.4-47.9173.6-68.3163.2000110.8F6 V10 A42 V43 I44 D48 R49 S50 L67 C70 M71 I74 L140F6-I46 HydrophobicContact CE1-CG1 4.47Å; F6-I46 HydrophobicContact CZ-CG1 4.09Å; V10-I46 HydrophobicContact CG1-CD1 4.09Å; V10-I46 HydrophobicContact CG1-CG1 4.46Å; A42-I46 VanDerWaalsContact O-CG1 3.26Å; A42-I46 WeakPolarHBondContact O-CG1 3.3Å; A42-I46 PolarHBondContact O-N 3.28Å; V43-I46 WeakPolarHBondContact O-CB 3.05Å; V43-I46 PolarHBondContact O-N 2.82Å; V43-I46 VanDerWaalsContact O-N 3.16Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.43Å; I46-D48 PolarHBondContact O-N 3.39Å; I46-R49 PolarHBondContact O-N 2.85Å; I46-R49 VanDerWaalsContact O-N 3.16Å; I46-S50 PolarHBondContact O-N 3.26Å; I46-L67 HydrophobicContact CG2-CB 4.15Å; I46-L67 HydrophobicContact CG2-CD2 4.23Å; I46-C70 HydrophobicContact CD1-CB 3.88Å; I46-C70 HydrophobicContact CG1-CB 4.04Å; I46-M71 HydrophobicContact CD1-CB 4.46Å; I46-M71 HydrophobicContact CD1-SD 4.01Å; I46-I74 HydrophobicContact CD1-CG1 4.32Å; I46-L140 HydrophobicContact CG2-CD1 4.13Å; I46-L140 HydrophobicContact CG2-CD2 4.07Å
47I93.1Very high85.6Confident0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-58.2-50.5177.5-67.5166.4000110.2V43 I44 R49 S50 G51 I103 H106 L107 C110 I136 I144V43-I47 HydrophobicContact CG1-CD1 3.94Å; V43-I47 WeakPolarHBondContact O-CG1 3.36Å; V43-I47 PolarHBondContact O-N 3.29Å; I44-I47 PolarHBondContact O-N 3.15Å; I47-R49 PolarHBondContact O-N 3.26Å; I47-S50 VanDerWaalsContact O-CB 3.27Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.3Å; I47-S50 VanDerWaalsContact O-N 3.12Å; I47-G51 PolarHBondContact O-N 3.13Å; I47-I103 HydrophobicContact CD1-CG2 4.37Å; I47-H106 HydrophobicContact CD1-CB 4.3Å; I47-H106 HydrophobicContact CG2-CB 4.36Å; I47-L107 HydrophobicContact CD1-CD2 3.95Å; I47-L107 HydrophobicContact CD1-CG 4.05Å; I47-L107 HydrophobicContact CG1-CD2 4.27Å; I47-C110 WeakPolarHBondContact CG2-SG 3.25Å; I47-I136 HydrophobicContact CG1-CD1 4.29Å; I47-I144 HydrophobicContact CD1-CD1 4.09Å; I47-I144 HydrophobicContact CG1-CD1 3.72Å
48D90Very high84.9Confident60 Ų6044.1 Ų44.132%0.32124%0.236SC..Hα-helixtrans-60.2-33.1178.1-823.9000112.5I44 I46 G51 K52 H106I44-D48 WeakPolarHBondContact O-CB 3.46Å; I44-D48 PolarHBondContact O-N 3.47Å; I46-D48 PolarHBondContact O-N 3.39Å; D48-G51 PolarHBondContact O-N 2.79Å; D48-K52 WeakPolarHBondContact O-CG 3.13Å; D48-K52 PolarHBondContact O-N 3.02Å; D48-H106 IonicContact OD1-CD2 3.96Å
49R89.1Confident84.3Confident28 Ų2844.4 Ų44.411%0.10624%0.243CC..Hα-helixtrans-72.5-35.7178.4-163.468178.4-160.5-4.7111.8M1 S2 I3 F6 A45 I46 I47 G51 K52 G53 Q56 L67M1-R49 PolarHBondContact O-NH1 2.9Å; M1-R49 PolarHBondContact O-NH2 3.15Å; S2-R49 PolarHBondContact O-NH2 2.71Å; I3-R49 HydrophobicContact CD1-CG 4Å; F6-R49 HydrophobicContact CD1-CG 3.94Å; F6-R49 HydrophobicContact CE1-CB 3.95Å; F6-R49 HydrophobicContact CE1-CG 3.86Å; F6-R49 HydrophobicContact CE2-CB 4.41Å; F6-R49 HydrophobicContact CG-CG 4.34Å; F6-R49 HydrophobicContact CZ-CB 3.89Å; F6-R49 HydrophobicContact CZ-CG 4.2Å; A45-R49 VanDerWaalsContact O-CB 3.29Å; A45-R49 WeakPolarHBondContact O-CB 3.25Å; A45-R49 PolarHBondContact O-N 2.93Å; I46-R49 PolarHBondContact O-N 2.85Å; I46-R49 VanDerWaalsContact O-N 3.16Å; I47-R49 PolarHBondContact O-N 3.26Å; R49-G51 PolarHBondContact O-N 3.06Å; R49-K52 PolarHBondContact O-N 3.49Å; R49-G53 PolarHBondContact O-N 3.19Å; R49-Q56 VanDerWaalsContact CZ-NE2 3.27Å; R49-Q56 VanDerWaalsContact NH2-CD 3.34Å; R49-L67 HydrophobicContact CB-CD2 3.99Å; R49-L67 HydrophobicContact CG-CD2 4.06Å
50S87.5Confident83.6Confident16 Ų1648.7 Ų48.711%0.11227%0.272CS..Hα-helixtrans-54.7-42.8172.9-167.30000111.2I46 I47 K52 G53 L67I46-S50 PolarHBondContact O-N 3.26Å; I47-S50 VanDerWaalsContact O-CB 3.27Å; I47-S50 WeakPolarHBondContact O-CB 3.4Å; I47-S50 PolarHBondContact O-N 3.3Å; I47-S50 VanDerWaalsContact O-N 3.12Å; S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.21Å; S50-G53 PolarHBondContact O-N 2.9Å; S50-L67 VanDerWaalsContact CA-CD1 3.49Å
51G77.5Confident83.1Confident12 Ų1255 Ų5512%0.12431%0.306CS..Hα-helixtrans-66.7-25.7177.800000116I47 D48 R49I47-G51 PolarHBondContact O-N 3.13Å; D48-G51 PolarHBondContact O-N 2.79Å; R49-G51 PolarHBondContact O-N 3.06Å
52K73.9Confident82.7Confident103 Ų10357.8 Ų57.845%0.44832%0.317SS..Hα-helixtrans-93.6-6.4-175.5-68.6167.9-173.9162.30112.8D48 R49 S50 S54 K55D48-K52 WeakPolarHBondContact O-CG 3.13Å; D48-K52 PolarHBondContact O-N 3.02Å; R49-K52 PolarHBondContact O-N 3.49Å; S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.21Å; K52-S54 VanDerWaalsContact C-N 3.28Å; K52-S54 PolarHBondContact O-N 3.38Å; K52-K55 WeakPolarHBondContact O-CB 3.48Å; K52-K55 PolarHBondContact O-N 3.46Å
53G62.1Low82.3Confident5 Ų557.9 Ų57.95%0.05232%0.316CS..G310 helixtrans-53.3-41.1-177.900000114.6R49 S50 K55 Q56R49-G53 PolarHBondContact O-N 3.19Å; S50-G53 PolarHBondContact O-N 2.9Å; G53-K55 PolarHBondContact O-N 3.15Å; G53-Q56 PolarHBondContact O-N 2.87Å
54S60Low81.9Confident84 Ų8459 Ų5959%0.58732%0.322SS*.G310 helixtrans-57.3-23.6178.157.20000113.6K52K52-S54 VanDerWaalsContact C-N 3.28Å; K52-S54 PolarHBondContact O-N 3.38Å
55K65.4Low81.7Confident157 Ų15763.4 Ų63.468%0.68334%0.342SS*.G310 helixtrans-83.9-13178.7-60.1-174179.4-176.40113.9K52 G53K52-K55 WeakPolarHBondContact O-CB 3.48Å; K52-K55 PolarHBondContact O-N 3.46Å; G53-K55 PolarHBondContact O-N 3.15Å
56Q68.3Low81.7Confident67 Ų6763.3 Ų63.331%0.31334%0.336SS..THydrogen-bonded Turntrans-106.74.8-169.6-63.6-171.21.700114.1R49 G53 I58R49-Q56 VanDerWaalsContact CZ-NE2 3.27Å; R49-Q56 VanDerWaalsContact NH2-CD 3.34Å; G53-Q56 PolarHBondContact O-N 2.87Å; Q56-I58 HydrophobicContact CB-CD1 3.72Å; Q56-I58 HydrophobicContact CB-CG1 3.89Å; Q56-I58 PolarHBondContact O-N 2.65Å; Q56-I58 VanDerWaalsContact O-N 3.1Å
57N71.6Confident81.6Confident159 Ų15963.3 Ų63.385%0.8534%0.336SS*.THydrogen-bonded Turntrans51.429.5-176.1-64.6-22.2000113.3
58I79.3Confident81.7Confident39 Ų3963.7 Ų63.720%0.234%0.338CS..  trans-89.5130.8175.4-58166.9000107I3 Q56 S60 Q62 L63I3-I58 HydrophobicContact CB-CD1 3.65Å; I3-I58 HydrophobicContact CD1-CD1 4.48Å; I3-I58 HydrophobicContact CG1-CD1 3.86Å; I3-I58 HydrophobicContact CG2-CD1 3.64Å; Q56-I58 HydrophobicContact CB-CD1 3.72Å; Q56-I58 HydrophobicContact CB-CG1 3.89Å; Q56-I58 PolarHBondContact O-N 2.65Å; Q56-I58 VanDerWaalsContact O-N 3.1Å; I58-S60 PolarHBondContact O-N 2.76Å; I58-Q62 HydrophobicContact CG2-CB 4.18Å; I58-L63 HydrophobicContact CG2-CB 4.04Å
59P83.4Confident82Confident67 Ų6763.1 Ų63.144%0.43534%0.34SS..  trans-52.8135.2172.4-25.234.6000110.8D61 Q62 L63P59-D61 PolarHBondContact O-N 3.37Å; P59-D61 VanDerWaalsContact O-N 3.16Å; P59-Q62 HydrophobicContact CB-CB 4.42Å; P59-Q62 HydrophobicContact CB-CG 4.22Å; P59-Q62 HydrophobicContact CG-CG 4.43Å; P59-Q62 PolarHBondContact O-N 3.4Å; P59-Q62 VanDerWaalsContact O-N 3.11Å; P59-L63 PolarHBondContact O-N 3.04Å; P59-L63 VanDerWaalsContact O-N 3.08Å
60S83Confident82.3Confident90 Ų9061.8 Ų61.863%0.62933%0.334SS*.Hα-helixtrans-54.5-38.9-175-171.90000112.4I58 L63 D64I58-S60 PolarHBondContact O-N 2.76Å; S60-L63 PolarHBondContact O-N 3.23Å; S60-D64 WeakPolarHBondContact O-CB 3.27Å; S60-D64 PolarHBondContact O-N 2.97Å
61D85.5Confident82.7Confident132 Ų13261 Ų6171%0.70633%0.329SS*.Hα-helixtrans-67.5-41.3-178.6-56.4-31.7000112.3P59 D64 E65P59-D61 PolarHBondContact O-N 3.37Å; P59-D61 VanDerWaalsContact O-N 3.16Å; D61-D64 PolarHBondContact O-N 2.78Å; D61-E65 WeakPolarHBondContact O-CB 3.25Å; D61-E65 PolarHBondContact O-N 3.33Å
62Q87.7Confident83.6Confident123 Ų12362 Ų6258%0.57534%0.335SS*.Hα-helixtrans-67.2-38.6177.1-68.7-177.912.300111.5I58 P59 L66I58-Q62 HydrophobicContact CG2-CB 4.18Å; P59-Q62 HydrophobicContact CB-CB 4.42Å; P59-Q62 HydrophobicContact CB-CG 4.22Å; P59-Q62 HydrophobicContact CG-CG 4.43Å; P59-Q62 PolarHBondContact O-N 3.4Å; P59-Q62 VanDerWaalsContact O-N 3.11Å; Q62-L66 VanDerWaalsContact O-CB 3.32Å; Q62-L66 WeakPolarHBondContact O-CB 3.44Å; Q62-L66 PolarHBondContact O-N 3.26Å; Q62-L66 VanDerWaalsContact O-N 3.11Å
63L88.9Confident84.7Confident11 Ų1157.1 Ų57.16%0.05832%0.315CS..Hα-helixtrans-65.2-45.4175.2-179.665.1000110.9I3 I58 P59 S60 E65 L66 L67I3-L63 HydrophobicContact CD1-CD1 3.7Å; I3-L63 HydrophobicContact CG1-CD1 4.31Å; I58-L63 HydrophobicContact CG2-CB 4.04Å; P59-L63 PolarHBondContact O-N 3.04Å; P59-L63 VanDerWaalsContact O-N 3.08Å; S60-L63 PolarHBondContact O-N 3.23Å; L63-E65 PolarHBondContact O-N 3.22Å; L63-L66 PolarHBondContact O-N 3.47Å; L63-L67 HydrophobicContact CD1-CD1 3.97Å; L63-L67 HydrophobicContact CD1-CD2 4.45Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CD2-CD1 4.46Å; L63-L67 HydrophobicContact CG-CD1 3.87Å; L63-L67 HydrophobicContact CG-CG 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.47Å
64D89.5Confident86.3Confident23 Ų2356.9 Ų56.912%0.12331%0.312CS..Hα-helixtrans-59.2-46.8178.5178.866.2000112.1S60 D61 L66 L67 C68 S137 R139S60-D64 WeakPolarHBondContact O-CB 3.27Å; S60-D64 PolarHBondContact O-N 2.97Å; D61-D64 PolarHBondContact O-N 2.78Å; D64-L66 VanDerWaalsContact C-N 3.34Å; D64-L66 PolarHBondContact O-N 3.01Å; D64-L67 PolarHBondContact O-N 2.92Å; D64-C68 WeakPolarHBondContact O-CB 3.31Å; D64-C68 PolarHBondContact O-N 2.84Å; D64-C68 PolarHBondContact O-SG 3.47Å; D64-S137 WeakPolarHBondContact OD1-CB 3.39Å; D64-S137 PolarHBondContact OD1-OG 2.98Å; D64-R139 WeakPolarHBondContact OD2-CD 3.28Å; D64-R139 IonicContact OD2-CZ 3.65Å; D64-R139 IonicContact OD2-NE 2.88Å; D64-R139 IonicContact OD2-NH1 2.67Å; D64-R139 PolarHBondContact OD2-NH1 3.14Å; D64-R139 VanDerWaalsContact OD2-NH1 3.12Å
65E91.7Very high88Confident117 Ų11753.1 Ų53.155%0.54729%0.286SS..Hα-helixtrans-60.8-43.4177.6-174.6177-174.100112.2D61 L63 C68 S69D61-E65 WeakPolarHBondContact O-CB 3.25Å; D61-E65 PolarHBondContact O-N 3.33Å; L63-E65 PolarHBondContact O-N 3.22Å; E65-C68 PolarHBondContact O-N 2.92Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.11Å; E65-S69 PolarHBondContact O-OG 3.27Å
66L92.6Very high89.4Confident36 Ų3652 Ų5219%0.18828%0.277CS..Hα-helixtrans-64.2-45.6177.7-176.2153000111.3I3 Y7 Q62 L63 D64 S69 C70I3-L66 HydrophobicContact CD1-CD2 3.9Å; I3-L66 HydrophobicContact CG1-CD1 3.72Å; I3-L66 HydrophobicContact CG1-CD2 3.96Å; I3-L66 HydrophobicContact CG1-CG 4.49Å; Y7-L66 HydrophobicContact CD2-CD1 4.24Å; Y7-L66 HydrophobicContact CD2-CD2 3.89Å; Y7-L66 HydrophobicContact CD2-CG 3.6Å; Y7-L66 HydrophobicContact CE2-CG 4.34Å; Y7-L66 HydrophobicContact CG-CD1 4.37Å; Y7-L66 HydrophobicContact CG-CD2 4.4Å; Y7-L66 HydrophobicContact CG-CG 4.18Å; Q62-L66 VanDerWaalsContact O-CB 3.32Å; Q62-L66 WeakPolarHBondContact O-CB 3.44Å; Q62-L66 PolarHBondContact O-N 3.26Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; L63-L66 PolarHBondContact O-N 3.47Å; D64-L66 VanDerWaalsContact C-N 3.34Å; D64-L66 PolarHBondContact O-N 3.01Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.47Å; L66-C70 PolarHBondContact O-N 3.14Å; L66-C70 PolarHBondContact O-SG 3.16Å
67L94Very high90.6Very high1 Ų148.9 Ų48.91%0.00526%0.263CS..Hα-helixtrans-69-37.1179.4-66.1180000112.2F6 I46 R49 S50 L63 D64 S69 C70 M71 L140F6-L67 HydrophobicContact CD1-CD2 4.49Å; F6-L67 HydrophobicContact CE1-CD2 3.77Å; I46-L67 HydrophobicContact CG2-CB 4.15Å; I46-L67 HydrophobicContact CG2-CD2 4.23Å; R49-L67 HydrophobicContact CB-CD2 3.99Å; R49-L67 HydrophobicContact CG-CD2 4.06Å; S50-L67 VanDerWaalsContact CA-CD1 3.49Å; L63-L67 HydrophobicContact CD1-CD1 3.97Å; L63-L67 HydrophobicContact CD1-CD2 4.45Å; L63-L67 HydrophobicContact CD1-CG 4.01Å; L63-L67 HydrophobicContact CD2-CD1 4.46Å; L63-L67 HydrophobicContact CG-CD1 3.87Å; L63-L67 HydrophobicContact CG-CG 4.24Å; L63-L67 WeakPolarHBondContact O-CB 3.46Å; L63-L67 VanDerWaalsContact O-CG 3.25Å; L63-L67 WeakPolarHBondContact O-CG 3.48Å; L63-L67 PolarHBondContact O-N 3.47Å; D64-L67 PolarHBondContact O-N 2.92Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-S69 PolarHBondContact O-N 2.87Å; L67-C70 WeakPolarHBondContact O-CB 3.47Å; L67-C70 PolarHBondContact O-N 2.97Å; L67-M71 WeakPolarHBondContact O-CB 3.41Å; L67-M71 PolarHBondContact O-N 2.82Å; L67-L140 HydrophobicContact CB-CD1 4.48Å; L67-L140 HydrophobicContact CB-CD2 3.94Å; L67-L140 HydrophobicContact CD1-CD2 4.09Å
68C94.7Very high91.7Very high7 Ų741.3 Ų41.35%0.04722%0.222CC..Hα-helixtrans-63.2-39.1171.7-72.40000111.5D64 E65 M71 A72D64-C68 WeakPolarHBondContact O-CB 3.31Å; D64-C68 PolarHBondContact O-N 2.84Å; D64-C68 PolarHBondContact O-SG 3.47Å; E65-C68 PolarHBondContact O-N 2.92Å; C68-M71 WeakPolarHBondContact O-CB 3.3Å; C68-M71 PolarHBondContact O-N 2.83Å; C68-A72 PolarHBondContact O-N 3.5Å
69S95.3Very high92.3Very high49 Ų4943 Ų4334%0.34323%0.229SC..Hα-helixtrans-65.2-43175.2-62.40000112.1E65 L66 L67 M71 A72 A73E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.11Å; E65-S69 PolarHBondContact O-OG 3.27Å; L66-S69 WeakPolarHBondContact O-CB 3.35Å; L66-S69 PolarHBondContact O-N 3.47Å; L67-S69 VanDerWaalsContact C-N 3.32Å; L67-S69 PolarHBondContact O-N 2.87Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 3.38Å; S69-A72 PolarHBondContact O-N 2.99Å; S69-A73 PolarHBondContact O-N 3.32Å; S69-A73 VanDerWaalsContact O-N 3.13Å
70C96.2Very high92.7Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-56.8-46.7170-79.20000111.4Y7 V10 I46 L66 L67 A72 A73 I74Y7-C70 VanDerWaalsContact CD2-SG 3.51Å; V10-C70 HydrophobicContact CB-CB 4.25Å; V10-C70 HydrophobicContact CG1-CB 3.69Å; I46-C70 HydrophobicContact CD1-CB 3.88Å; I46-C70 HydrophobicContact CG1-CB 4.04Å; L66-C70 PolarHBondContact O-N 3.14Å; L66-C70 PolarHBondContact O-SG 3.16Å; L67-C70 WeakPolarHBondContact O-CB 3.47Å; L67-C70 PolarHBondContact O-N 2.97Å; C70-A72 PolarHBondContact O-N 3.14Å; C70-A73 WeakPolarHBondContact O-CB 3.34Å; C70-A73 PolarHBondContact O-N 2.98Å; C70-A73 VanDerWaalsContact O-N 3.13Å; C70-I74 PolarHBondContact O-N 2.9Å
71M96.7Very high93Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-60.4-47.5179.4-164.865.3-158.100111.1V43 I46 L67 C68 S69 A73 I74 V75 L140 F143 I144 L148V43-M71 HydrophobicContact CG1-CE 4.07Å; V43-M71 HydrophobicContact CG1-SD 4.38Å; V43-M71 HydrophobicContact CG2-CE 3.7Å; V43-M71 HydrophobicContact CG2-SD 4.17Å; I46-M71 HydrophobicContact CD1-CB 4.46Å; I46-M71 HydrophobicContact CD1-SD 4.01Å; L67-M71 WeakPolarHBondContact O-CB 3.41Å; L67-M71 PolarHBondContact O-N 2.82Å; C68-M71 WeakPolarHBondContact O-CB 3.3Å; C68-M71 PolarHBondContact O-N 2.83Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 3.38Å; M71-A73 PolarHBondContact O-N 3.43Å; M71-I74 PolarHBondContact O-N 3.26Å; M71-V75 HydrophobicContact CE-CG2 3.29Å; M71-V75 HydrophobicContact CG-CG2 3.98Å; M71-V75 VanDerWaalsContact O-CG2 3.27Å; M71-V75 WeakPolarHBondContact O-CG2 3.32Å; M71-V75 PolarHBondContact O-N 3.36Å; M71-V75 HydrophobicContact SD-CG2 4.31Å; M71-L140 HydrophobicContact CB-CD1 4.07Å; M71-L140 HydrophobicContact CG-CD1 4.28Å; M71-F143 HydrophobicContact CB-CD1 4.11Å; M71-F143 HydrophobicContact CB-CE1 4.16Å; M71-F143 HydrophobicContact CG-CD1 3.41Å; M71-F143 VanDerWaalsContact CG-CD1 3.41Å; M71-F143 HydrophobicContact CG-CE1 3.68Å; M71-F143 HydrophobicContact CG-CG 4.32Å; M71-I144 HydrophobicContact CE-CB 4.41Å; M71-I144 HydrophobicContact CE-CG1 3.73Å; M71-I144 HydrophobicContact CG-CG1 4.28Å; M71-I144 HydrophobicContact SD-CG1 3.81Å; M71-L148 HydrophobicContact CE-CD1 3.16Å; M71-L148 HydrophobicContact CE-CG 3.69Å
72A96.2Very high93.1Very high31 Ų3138.8 Ų38.826%0.25619%0.19SC..Hα-helixtrans-59.3-31.2176.100000113.2C68 S69 C70 I74 R76 F143C68-A72 PolarHBondContact O-N 3.5Å; S69-A72 PolarHBondContact O-N 2.99Å; C70-A72 PolarHBondContact O-N 3.14Å; A72-I74 VanDerWaalsContact C-N 3.34Å; A72-R76 VanDerWaalsContact O-CG 3.28Å; A72-R76 WeakPolarHBondContact O-CG 3.21Å; A72-R76 PolarHBondContact O-N 3.11Å; A72-R76 PolarHBondContact O-NE 3.25Å; A72-F143 HydrophobicContact CB-CZ 3.98Å
73A96.2Very high93Very high2 Ų233.2 Ų33.22%0.01716%0.164CC..Hα-helixtrans-69.2-30.7174.600000113.5I11 G14 S69 C70 M71 P77I11-A73 HydrophobicContact CD1-CB 3.61Å; G14-A73 WeakPolarHBondContact CA-O 3.49Å; S69-A73 PolarHBondContact O-N 3.32Å; S69-A73 VanDerWaalsContact O-N 3.13Å; C70-A73 WeakPolarHBondContact O-CB 3.34Å; C70-A73 PolarHBondContact O-N 2.98Å; C70-A73 VanDerWaalsContact O-N 3.13Å; M71-A73 PolarHBondContact O-N 3.43Å; A73-P77 WeakPolarHBondContact O-CD 3.24Å
74I96.9Very high92.8Very high0 Ų036.6 Ų36.60%018%0.18CC..Hα-helixtrans-88.9-35.4179.6-61-58.4000112.2V10 T13 L17 I39 A42 V43 I46 C70 M71 A72 R76 P77 F78V10-I74 HydrophobicContact CG1-CD1 4.01Å; V10-I74 HydrophobicContact CG1-CG1 3.75Å; T13-I74 HydrophobicContact CG2-CD1 4.03Å; L17-I74 HydrophobicContact CD1-CD1 4.36Å; I39-I74 HydrophobicContact CB-CG2 4.35Å; I39-I74 HydrophobicContact CG1-CG2 4.42Å; I39-I74 HydrophobicContact CG2-CG2 3.86Å; A42-I74 HydrophobicContact CB-CD1 3.69Å; A42-I74 HydrophobicContact CB-CG1 3.87Å; A42-I74 HydrophobicContact CB-CG2 4.24Å; V43-I74 HydrophobicContact CG2-CG2 3.94Å; I46-I74 HydrophobicContact CD1-CG1 4.32Å; C70-I74 PolarHBondContact O-N 2.9Å; M71-I74 PolarHBondContact O-N 3.26Å; A72-I74 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 2.84Å; I74-P77 VanDerWaalsContact O-CD 3.25Å; I74-P77 WeakPolarHBondContact O-CD 3.46Å; I74-P77 VanDerWaalsContact O-CG 3.25Å; I74-P77 WeakPolarHBondContact O-CG 3.43Å; I74-F78 PolarHBondContact O-N 2.92Å
75V95.2Very high92.6Very high4 Ų438.7 Ų38.72%0.02419%0.191CC..Hα-helixtrans-72.8-29.8-178.5179.90000112.2M71 F78 H79 F143 H147 L148M71-V75 HydrophobicContact CE-CG2 3.29Å; M71-V75 HydrophobicContact CG-CG2 3.98Å; M71-V75 VanDerWaalsContact O-CG2 3.27Å; M71-V75 WeakPolarHBondContact O-CG2 3.32Å; M71-V75 PolarHBondContact O-N 3.36Å; M71-V75 HydrophobicContact SD-CG2 4.31Å; V75-F78 WeakPolarHBondContact O-CB 3.3Å; V75-F78 PolarHBondContact O-N 3.17Å; V75-H79 WeakPolarHBondContact CG1-CD2 3.33Å; V75-H79 WeakPolarHBondContact CG1-NE2 3.39Å; V75-H79 PolarHBondContact O-CD2 3.32Å; V75-H79 PolarHBondContact O-N 2.88Å; V75-F143 HydrophobicContact CB-CE1 4.27Å; V75-F143 HydrophobicContact CG2-CD1 4.48Å; V75-F143 HydrophobicContact CG2-CE1 3.91Å; V75-H147 HydrophobicContact CG1-CB 3.49Å; V75-H147 VanDerWaalsContact CG1-CB 3.49Å; V75-H147 HydrophobicContact CG2-CB 4.48Å; V75-L148 HydrophobicContact CB-CD2 4.39Å; V75-L148 HydrophobicContact CG1-CD2 4.14Å; V75-L148 HydrophobicContact CG2-CD1 4.31Å; V75-L148 HydrophobicContact CG2-CD2 3.83Å; V75-L148 HydrophobicContact CG2-CG 3.83Å
76R93.7Very high92Very high134 Ų13441.7 Ų41.751%0.50621%0.205SC..Hα-helixtrans-54.6-56.4174.5-81.1-178.1-66.6167.5-2.4113.7A72 I74 F78 H79 A80 L201A72-R76 VanDerWaalsContact O-CG 3.28Å; A72-R76 WeakPolarHBondContact O-CG 3.21Å; A72-R76 PolarHBondContact O-N 3.11Å; A72-R76 PolarHBondContact O-NE 3.25Å; I74-R76 PolarHBondContact O-N 2.84Å; R76-F78 VanDerWaalsContact C-N 3.25Å; R76-F78 PolarHBondContact O-N 3.47Å; R76-H79 PolarHBondContact O-N 3.34Å; R76-A80 PolarHBondContact O-N 2.89Å; R76-L201 HydrophobicContact CG-CD1 3.88Å
77P93.7Very high91.5Very high1 Ų149 Ų491%0.00624%0.238CC..Hα-helixtrans-61.3-33.3175.613.7-22.7000112.8L17 Y35 A73 I74 A80 L81L17-P77 HydrophobicContact CB-CB 3.82Å; L17-P77 HydrophobicContact CB-CG 3.9Å; L17-P77 HydrophobicContact CD1-CG 4.31Å; Y35-P77 WeakPolarHBondContact OH-CB 3.41Å; A73-P77 WeakPolarHBondContact O-CD 3.24Å; I74-P77 VanDerWaalsContact O-CD 3.25Å; I74-P77 WeakPolarHBondContact O-CD 3.46Å; I74-P77 VanDerWaalsContact O-CG 3.25Å; I74-P77 WeakPolarHBondContact O-CG 3.43Å; P77-A80 PolarHBondContact O-N 3.29Å; P77-L81 PolarHBondContact O-N 2.93Å
78F94.5Very high90.8Very high0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-62.3-47.6174.2175.8-100000112.6L36 I39 I74 V75 R76 A80 L81 I83 L148 P151 M152L36-F78 HydrophobicContact CD2-CD2 4.33Å; L36-F78 HydrophobicContact CD2-CE2 4.36Å; I39-F78 HydrophobicContact CD1-CB 3.98Å; I39-F78 HydrophobicContact CD1-CD2 4.25Å; I39-F78 HydrophobicContact CG2-CB 4.43Å; I39-F78 HydrophobicContact CG2-CD2 4.43Å; I74-F78 PolarHBondContact O-N 2.92Å; V75-F78 WeakPolarHBondContact O-CB 3.3Å; V75-F78 PolarHBondContact O-N 3.17Å; R76-F78 VanDerWaalsContact C-N 3.25Å; R76-F78 PolarHBondContact O-N 3.47Å; F78-A80 VanDerWaalsContact C-N 3.31Å; F78-A80 PolarHBondContact O-N 2.85Å; F78-L81 WeakPolarHBondContact O-CB 3.5Å; F78-L81 PolarHBondContact O-N 3.18Å; F78-I83 HydrophobicContact CE1-CD1 3.96Å; F78-I83 HydrophobicContact CE2-CD1 3.95Å; F78-I83 HydrophobicContact CE2-CG2 4.42Å; F78-I83 HydrophobicContact CZ-CD1 3.29Å; F78-I83 HydrophobicContact CZ-CG1 4.27Å; F78-L148 HydrophobicContact CB-CD2 3.93Å; F78-L148 HydrophobicContact CD1-CD2 3.23Å; F78-L148 HydrophobicContact CD2-CD2 4.13Å; F78-L148 HydrophobicContact CE1-CD2 3.62Å; F78-L148 HydrophobicContact CE2-CD2 4.46Å; F78-L148 HydrophobicContact CG-CD2 3.48Å; F78-L148 VanDerWaalsContact CG-CD2 3.48Å; F78-L148 HydrophobicContact CZ-CD2 4.21Å; F78-P151 HydrophobicContact CE1-CB 3.94Å; F78-P151 HydrophobicContact CZ-CB 4.41Å; F78-M152 HydrophobicContact CD2-CE 4.25Å; F78-M152 HydrophobicContact CE2-CE 3.52Å; F78-M152 HydrophobicContact CE2-CG 4.14Å; F78-M152 HydrophobicContact CZ-CE 3.74Å; F78-M152 HydrophobicContact CZ-CG 3.62Å
79H93.2Very high90.2Very high74 Ų7453.1 Ų53.134%0.34326%0.255SS..Hα-helixtrans-65.7-34177.7-83.1-62.5000112.9V75 R76 L81 R82 H147V75-H79 WeakPolarHBondContact CG1-CD2 3.33Å; V75-H79 WeakPolarHBondContact CG1-NE2 3.39Å; V75-H79 PolarHBondContact O-CD2 3.32Å; V75-H79 PolarHBondContact O-N 2.88Å; R76-H79 PolarHBondContact O-N 3.34Å; H79-L81 PolarHBondContact O-N 3.01Å; H79-R82 PolarHBondContact O-N 3.5Å; H79-H147 PolarHBondContact CE1-O 3.47Å; H79-H147 AromaticContact NE2-ND1 3.79Å; H79-H147 PolarHBondContact NE2-O 3.5Å
80A91Very high89.4Confident44 Ų4453.6 Ų53.636%0.36426%0.262SS..Hα-helixtrans-63.3-24.6178.700000112.3E21 R25 R76 P77 F78 R82E21-A80 WeakPolarHBondContact OE1-CA 3.23Å; E21-A80 WeakPolarHBondContact OE1-CB 3.47Å; E21-A80 VanDerWaalsContact OE1-O 3.08Å; E21-A80 WeakPolarHBondContact OE2-CB 3.49Å; R25-A80 VanDerWaalsContact CZ-O 3.3Å; R25-A80 PolarHBondContact NH1-O 3.11Å; R25-A80 PolarHBondContact NH2-O 3.35Å; R76-A80 PolarHBondContact O-N 2.89Å; P77-A80 PolarHBondContact O-N 3.29Å; F78-A80 VanDerWaalsContact C-N 3.31Å; F78-A80 PolarHBondContact O-N 2.85Å; A80-R82 PolarHBondContact O-N 3Å
81L88.7Confident88.8Confident0 Ų058.7 Ų58.70%029%0.286CS..THydrogen-bonded Turntrans-62.4-24171.2-65.9178.9000113.8E21 R25 I28 F29 Y35 L36 P77 F78 H79 I83 M92E21-L81 HydrophobicContact CG-CD2 4.27Å; E21-L81 PolarHBondContact OE1-N 3.24Å; R25-L81 PolarHBondContact NH2-O 3.03Å; R25-L81 VanDerWaalsContact NH2-O 3.11Å; I28-L81 HydrophobicContact CD1-CD2 4.42Å; I28-L81 HydrophobicContact CG2-CD2 3.85Å; F29-L81 HydrophobicContact CE1-CD2 4.4Å; F29-L81 WeakPolarHBondContact CZ-O 3.11Å; Y35-L81 HydrophobicContact CD1-CD1 3.77Å; Y35-L81 HydrophobicContact CD1-CD2 4.09Å; Y35-L81 HydrophobicContact CD1-CG 4.31Å; Y35-L81 HydrophobicContact CE1-CD1 3.65Å; Y35-L81 HydrophobicContact CE1-CD2 3.71Å; Y35-L81 HydrophobicContact CE1-CG 3.79Å; L36-L81 HydrophobicContact CD2-CD1 3.83Å; P77-L81 PolarHBondContact O-N 2.93Å; F78-L81 WeakPolarHBondContact O-CB 3.5Å; F78-L81 PolarHBondContact O-N 3.18Å; H79-L81 PolarHBondContact O-N 3.01Å; L81-I83 HydrophobicContact CB-CG2 3.82Å; L81-I83 HydrophobicContact CD1-CG2 4.19Å; L81-I83 PolarHBondContact O-N 3.29Å; L81-M92 HydrophobicContact CD1-CE 4.45Å
82R88.2Confident88.4Confident157 Ų15758.7 Ų58.759%0.59229%0.286SS*.  trans48.855.9-175.1-56.9-175.7177.9-169.3-3.4112.3H79 A80 E84 D85H79-R82 PolarHBondContact O-N 3.5Å; A80-R82 PolarHBondContact O-N 3Å; R82-E84 PolarHBondContact O-N 3.27Å; R82-D85 HydrophobicContact CB-CB 4.32Å; R82-D85 WeakPolarHBondContact CB-OD2 3.41Å; R82-D85 WeakPolarHBondContact CD-OD2 3.37Å; R82-D85 WeakPolarHBondContact O-CB 3.31Å; R82-D85 PolarHBondContact O-N 3.37Å
83I86.7Confident88Confident6 Ų657.2 Ų57.23%0.03127%0.274CS..THydrogen-bonded Turntrans-58.5-16-176.159.8163000114.7F78 L81 M92 I96 P151 A155F78-I83 HydrophobicContact CE1-CD1 3.96Å; F78-I83 HydrophobicContact CE2-CD1 3.95Å; F78-I83 HydrophobicContact CE2-CG2 4.42Å; F78-I83 HydrophobicContact CZ-CD1 3.29Å; F78-I83 HydrophobicContact CZ-CG1 4.27Å; L81-I83 HydrophobicContact CB-CG2 3.82Å; L81-I83 HydrophobicContact CD1-CG2 4.19Å; L81-I83 PolarHBondContact O-N 3.29Å; I83-M92 HydrophobicContact CB-CG 3.55Å; I83-M92 HydrophobicContact CB-SD 4.29Å; I83-M92 HydrophobicContact CG2-CE 4.02Å; I83-M92 HydrophobicContact CG2-CG 3.58Å; I83-M92 HydrophobicContact CG2-SD 3.61Å; I83-I96 HydrophobicContact CB-CD1 3.88Å; I83-I96 HydrophobicContact CD1-CD1 3.44Å; I83-I96 VanDerWaalsContact CD1-CD1 3.44Å; I83-I96 HydrophobicContact CG1-CD1 4.23Å; I83-I96 HydrophobicContact CG2-CD1 4.12Å; I83-P151 HydrophobicContact CD1-CB 4.06Å; I83-A155 HydrophobicContact CB-CB 4.17Å; I83-A155 HydrophobicContact CD1-CB 3.76Å; I83-A155 HydrophobicContact CG1-CB 4.01Å; I83-A155 WeakPolarHBondContact O-CB 3.42Å
84E83Confident87.5Confident83 Ų8364.5 Ų64.539%0.38830%0.301SS..THydrogen-bonded Turntrans-88.3-7.9178.1-62.3171.3148.100112.4R82 R154R82-E84 PolarHBondContact O-N 3.27Å; E84-R154 HydrophobicContact CG-CB 4.49Å; E84-R154 WeakPolarHBondContact OE1-CB 3.31Å; E84-R154 IonicContact OE1-CZ 3.11Å; E84-R154 IonicContact OE1-NE 3.29Å; E84-R154 PolarHBondContact OE1-NE 3.42Å; E84-R154 IonicContact OE1-NH2 2.66Å; E84-R154 PolarHBondContact OE1-NH2 3.36Å; E84-R154 IonicContact OE2-NH2 2.73Å
85D85.6Confident87.2Confident67 Ų6764.6 Ų64.636%0.35830%0.302SS..SBendtrans-68.5133.6178.2-75-5.9000110.6R82 E87 V88 Y89R82-D85 HydrophobicContact CB-CB 4.32Å; R82-D85 WeakPolarHBondContact CB-OD2 3.41Å; R82-D85 WeakPolarHBondContact CD-OD2 3.37Å; R82-D85 WeakPolarHBondContact O-CB 3.31Å; R82-D85 PolarHBondContact O-N 3.37Å; D85-E87 PolarHBondContact O-N 2.72Å; D85-E87 VanDerWaalsContact O-N 3.11Å; D85-V88 HydrophobicContact CB-CG2 4.24Å; D85-V88 WeakPolarHBondContact O-CG2 3.45Å; D85-V88 PolarHBondContact O-N 2.87Å; D85-V88 VanDerWaalsContact O-N 3.16Å; D85-Y89 PolarHBondContact O-N 3.13Å
86H79.4Confident87.1Confident180 Ų18064.4 Ų64.483%0.83330%0.301SS*.THydrogen-bonded Turntrans-58.5-28.4-176.9-67.3-60.1000114V88H86-V88 VanDerWaalsContact C-N 3.31Å; H86-V88 PolarHBondContact O-N 3.47Å
87E81.6Confident87.1Confident190 Ų19060.2 Ų60.289%0.88829%0.286SS*.THydrogen-bonded Turntrans-66.9-30.3-178.9-63.2-174.3168.700113.2D85D85-E87 PolarHBondContact O-N 2.72Å; D85-E87 VanDerWaalsContact O-N 3.11Å
88V80.5Confident87Confident20 Ų2063.6 Ų63.612%0.12131%0.306CS..THydrogen-bonded Turntrans-110.4-5.3-175.5-60.60000112.9F29 D85 H86 A90 E91 M92F29-V88 HydrophobicContact CD1-CB 4.05Å; F29-V88 HydrophobicContact CD1-CG1 3.64Å; F29-V88 HydrophobicContact CD2-CG1 3.93Å; F29-V88 HydrophobicContact CE1-CB 4.06Å; F29-V88 HydrophobicContact CE1-CG1 3.65Å; F29-V88 HydrophobicContact CE1-CG2 4.29Å; F29-V88 HydrophobicContact CE2-CG1 3.88Å; F29-V88 HydrophobicContact CG-CG1 3.8Å; F29-V88 HydrophobicContact CZ-CG1 3.77Å; D85-V88 HydrophobicContact CB-CG2 4.24Å; D85-V88 WeakPolarHBondContact O-CG2 3.45Å; D85-V88 PolarHBondContact O-N 2.87Å; D85-V88 VanDerWaalsContact O-N 3.16Å; H86-V88 VanDerWaalsContact C-N 3.31Å; H86-V88 PolarHBondContact O-N 3.47Å; V88-A90 VanDerWaalsContact C-N 3.34Å; V88-A90 PolarHBondContact O-N 2.85Å; V88-E91 PolarHBondContact O-N 3.13Å; V88-M92 WeakPolarHBondContact O-CB 3.34Å; V88-M92 PolarHBondContact O-N 3.4Å
89Y80.9Confident87.1Confident73 Ų7363.8 Ų63.829%0.28631%0.308SS..Hα-helixtrans-55.5-42.1-169.6-175.3-94.7000113.8D85 M92 S93 A155 D157D85-Y89 PolarHBondContact O-N 3.13Å; Y89-M92 PolarHBondContact O-N 2.88Å; Y89-S93 WeakPolarHBondContact O-CB 3.21Å; Y89-S93 PolarHBondContact O-N 3.22Å; Y89-A155 VanDerWaalsContact CE2-O 3.28Å; Y89-A155 WeakPolarHBondContact CE2-O 3.37Å; Y89-D157 HydrophobicContact CE1-CB 4.05Å; Y89-D157 WeakPolarHBondContact OH-CA 3.42Å; Y89-D157 PolarHBondContact OH-N 3.48Å
90A80.2Confident87.2Confident59 Ų5960.2 Ų60.249%0.48829%0.291SS..Hα-helixtrans-64-47.4-175.800000113V88V88-A90 VanDerWaalsContact C-N 3.34Å; V88-A90 PolarHBondContact O-N 2.85Å
91E82.2Confident87.4Confident107 Ų10759.5 Ų59.550%0.528%0.28SS..Hα-helixtrans-71.7-41.2178.1-120.257.1-145.700110.9V88 A95V88-E91 PolarHBondContact O-N 3.13Å; E91-A95 WeakPolarHBondContact O-CB 3.09Å; E91-A95 PolarHBondContact O-N 2.95Å
92M89Confident87.7Confident1 Ų161 Ų611%0.00529%0.291CS..Hα-helixtrans-71.2-41.1-174.1-164.759.268.100112.6F29 P32 L36 L81 I83 V88 Y89 R94 A95 I96F29-M92 HydrophobicContact CD1-CE 3.89Å; F29-M92 HydrophobicContact CE1-CE 3.81Å; P32-M92 HydrophobicContact CB-CE 4.11Å; P32-M92 HydrophobicContact CB-SD 4.38Å; L36-M92 HydrophobicContact CD1-SD 3.83Å; L36-M92 HydrophobicContact CD2-SD 4.43Å; L81-M92 HydrophobicContact CD1-CE 4.45Å; I83-M92 HydrophobicContact CB-CG 3.55Å; I83-M92 HydrophobicContact CB-SD 4.29Å; I83-M92 HydrophobicContact CG2-CE 4.02Å; I83-M92 HydrophobicContact CG2-CG 3.58Å; I83-M92 HydrophobicContact CG2-SD 3.61Å; V88-M92 WeakPolarHBondContact O-CB 3.34Å; V88-M92 PolarHBondContact O-N 3.4Å; Y89-M92 PolarHBondContact O-N 2.88Å; M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.49Å; M92-A95 PolarHBondContact O-N 3.25Å; M92-A95 VanDerWaalsContact O-N 3.15Å; M92-I96 HydrophobicContact CG-CD1 3.52Å; M92-I96 HydrophobicContact CG-CG1 4.06Å; M92-I96 WeakPolarHBondContact O-CB 3.41Å; M92-I96 VanDerWaalsContact O-CG1 3.27Å; M92-I96 WeakPolarHBondContact O-CG1 3.39Å; M92-I96 PolarHBondContact O-N 2.84Å; M92-I96 HydrophobicContact SD-CD1 4.05Å; M92-I96 HydrophobicContact SD-CG1 4.06Å
93S87.8Confident88.1Confident0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-52.5-46.4176168.60000112.1Y89 A155 D157 A160Y89-S93 WeakPolarHBondContact O-CB 3.21Å; Y89-S93 PolarHBondContact O-N 3.22Å; S93-A155 WeakPolarHBondContact CA-O 3.45Å; S93-A155 VanDerWaalsContact CB-O 3.29Å; S93-A155 WeakPolarHBondContact CB-O 3.35Å; S93-D157 WeakPolarHBondContact OG-CB 3.32Å; S93-D157 PolarHBondContact OG-N 3.5Å; S93-D157 PolarHBondContact OG-OD2 3.27Å; S93-A160 WeakPolarHBondContact O-CB 2.78Å; S93-A160 WeakPolarHBondContact OG-CB 3.27Å
94R86.3Confident88.5Confident154 Ų15453.2 Ų53.258%0.58126%0.261SS*.Hα-helixtrans-70.3-39.9179.7-66.8178.7178.7151.70.2112M92M92-R94 VanDerWaalsContact C-N 3.29Å; M92-R94 PolarHBondContact O-N 3.49Å
95A91Very high89Confident3 Ų350.2 Ų50.23%0.02525%0.249CC..Hα-helixtrans-72.9-31.7-176.800000113.2P32 L36 E91 M92 K97 P99P32-A95 HydrophobicContact CB-CB 4.32Å; P32-A95 HydrophobicContact CG-CB 3.56Å; L36-A95 HydrophobicContact CD1-CB 3.78Å; E91-A95 WeakPolarHBondContact O-CB 3.09Å; E91-A95 PolarHBondContact O-N 2.95Å; M92-A95 PolarHBondContact O-N 3.25Å; M92-A95 VanDerWaalsContact O-N 3.15Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 2.85Å; A95-P99 WeakPolarHBondContact O-CD 3.4Å
96I92.5Very high89.4Confident0 Ų049.9 Ų49.90%025%0.245CC..Hα-helixtrans-71.3-26.1-177.7-77.3175000113.4L36 I83 M92 V98 P99 L100 M152 A155L36-I96 HydrophobicContact CD1-CG1 4.1Å; I83-I96 HydrophobicContact CB-CD1 3.88Å; I83-I96 HydrophobicContact CD1-CD1 3.44Å; I83-I96 VanDerWaalsContact CD1-CD1 3.44Å; I83-I96 HydrophobicContact CG1-CD1 4.23Å; I83-I96 HydrophobicContact CG2-CD1 4.12Å; M92-I96 HydrophobicContact CG-CD1 3.52Å; M92-I96 HydrophobicContact CG-CG1 4.06Å; M92-I96 WeakPolarHBondContact O-CB 3.41Å; M92-I96 VanDerWaalsContact O-CG1 3.27Å; M92-I96 WeakPolarHBondContact O-CG1 3.39Å; M92-I96 PolarHBondContact O-N 2.84Å; M92-I96 HydrophobicContact SD-CD1 4.05Å; M92-I96 HydrophobicContact SD-CG1 4.06Å; I96-V98 VanDerWaalsContact C-N 3.31Å; I96-V98 PolarHBondContact O-N 2.92Å; I96-P99 VanDerWaalsContact O-CD 3.25Å; I96-P99 WeakPolarHBondContact O-CD 3.43Å; I96-L100 HydrophobicContact CG2-CB 4.36Å; I96-L100 WeakPolarHBondContact O-CB 3.27Å; I96-L100 PolarHBondContact O-N 3.39Å; I96-M152 HydrophobicContact CG2-CB 3.51Å; I96-M152 HydrophobicContact CG2-CG 3.65Å; I96-M152 HydrophobicContact CG2-SD 4.35Å; I96-A155 HydrophobicContact CD1-CB 3.61Å
97K92.3Very high90Very high46 Ų4641.5 Ų41.520%0.221%0.207CC..Hα-helixtrans-47.1-52.3-178.5176.7-163.7156.8-171.20112.4A95 L100 E101 Q163 A164A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 2.85Å; K97-L100 PolarHBondContact O-N 3.23Å; K97-E101 WeakPolarHBondContact CE-OE1 3.21Å; K97-E101 WeakPolarHBondContact CG-OE1 3.44Å; K97-E101 IonicContact NZ-OE1 3.9Å; K97-E101 VanDerWaalsContact O-CG 3.31Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 3.29Å; K97-Q163 HydrophobicContact CD-CB 3.77Å; K97-A164 HydrophobicContact CG-CB 4.07Å
98V93Very high90.4Very high71 Ų7132.5 Ų32.543%0.4317%0.165SC..Hα-helixtrans-69.1-46.9-175.3175.70000112.4I96 L100 E101 S102I96-V98 VanDerWaalsContact C-N 3.31Å; I96-V98 PolarHBondContact O-N 2.92Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.84Å; V98-E101 PolarHBondContact O-N 2.99Å; V98-S102 WeakPolarHBondContact O-CB 3.49Å; V98-S102 PolarHBondContact O-N 3.49Å; V98-S102 PolarHBondContact O-OG 3.27Å
99P95.3Very high90.7Very high4 Ų434.6 Ų34.63%0.02618%0.18CC..Hα-helixtrans-49.6-48.8167.2-33.136.3000114.1L36 T40 A95 I96 S102 I103 M152L36-P99 HydrophobicContact CB-CG 3.95Å; T40-P99 VanDerWaalsContact OG1-CB 3.24Å; T40-P99 WeakPolarHBondContact OG1-CB 3.47Å; A95-P99 WeakPolarHBondContact O-CD 3.4Å; I96-P99 VanDerWaalsContact O-CD 3.25Å; I96-P99 WeakPolarHBondContact O-CD 3.43Å; P99-S102 PolarHBondContact O-N 3.42Å; P99-I103 VanDerWaalsContact O-CG1 3.32Å; P99-I103 WeakPolarHBondContact O-CG1 3.4Å; P99-I103 PolarHBondContact O-N 3.04Å; P99-M152 HydrophobicContact CB-CE 4.15Å; P99-M152 HydrophobicContact CB-SD 4.39Å
100L95.8Very high90.6Very high0 Ų031.4 Ų31.40%017%0.169CC..Hα-helixtrans-62.1-50-178.6175.762.2000111.3I96 K97 V98 S102 I103 V104 I149 M152 I153 M161 L177I96-L100 HydrophobicContact CG2-CB 4.36Å; I96-L100 WeakPolarHBondContact O-CB 3.27Å; I96-L100 PolarHBondContact O-N 3.39Å; K97-L100 PolarHBondContact O-N 3.23Å; V98-L100 VanDerWaalsContact C-N 3.33Å; V98-L100 PolarHBondContact O-N 2.84Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.09Å; L100-I103 PolarHBondContact O-N 3.5Å; L100-V104 HydrophobicContact CD1-CG2 3.86Å; L100-V104 WeakPolarHBondContact O-CB 3.38Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.4Å; L100-I149 HydrophobicContact CD1-CG2 3.76Å; L100-M152 HydrophobicContact CB-CB 4.43Å; L100-M152 HydrophobicContact CB-SD 4.21Å; L100-M152 HydrophobicContact CD1-CB 4.11Å; L100-M152 HydrophobicContact CD1-SD 4.46Å; L100-I153 HydrophobicContact CD1-CG1 4.28Å; L100-I153 HydrophobicContact CD2-CG1 4.17Å; L100-M161 HydrophobicContact CD2-CE 3.99Å; L100-L177 HydrophobicContact CD1-CD1 4.45Å; L100-L177 HydrophobicContact CD2-CD1 4.23Å; L100-L177 HydrophobicContact CG-CD1 4.35Å
101E95Very high89.8Confident29 Ų2931.6 Ų31.614%0.13617%0.166CC..Hα-helixtrans-54-49174.9-73.7173.1-166.600111K97 V98 V104 S105 A164 I168K97-E101 WeakPolarHBondContact CE-OE1 3.21Å; K97-E101 WeakPolarHBondContact CG-OE1 3.44Å; K97-E101 IonicContact NZ-OE1 3.9Å; K97-E101 VanDerWaalsContact O-CG 3.31Å; K97-E101 WeakPolarHBondContact O-CG 3.25Å; K97-E101 PolarHBondContact O-N 3.29Å; V98-E101 PolarHBondContact O-N 2.99Å; E101-V104 PolarHBondContact O-N 3.1Å; E101-S105 VanDerWaalsContact O-CB 3.25Å; E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 3.42Å; E101-S105 PolarHBondContact O-OG 3.33Å; E101-S105 VanDerWaalsContact O-OG 3.06Å; E101-A164 HydrophobicContact CG-CB 4.26Å; E101-A164 VanDerWaalsContact OE1-CA 3.27Å; E101-A164 WeakPolarHBondContact OE1-CA 3.38Å; E101-I168 HydrophobicContact CG-CB 4.26Å
102S95.5Very high88.2Confident31 Ų3129.7 Ų29.722%0.21716%0.162CC..Hα-helixtrans-63.6-47.2-175-56.80000112.1V98 P99 L100 H106V98-S102 WeakPolarHBondContact O-CB 3.49Å; V98-S102 PolarHBondContact O-N 3.49Å; V98-S102 PolarHBondContact O-OG 3.27Å; P99-S102 PolarHBondContact O-N 3.42Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.09Å; S102-H106 PolarHBondContact O-N 3.3Å; S102-H106 VanDerWaalsContact O-N 3.09Å; S102-H106 PolarHBondContact O-ND1 3.29Å
103I96Very high86Confident0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-66.8-45.8-179.5-65.3168000110.6T40 V43 I47 P99 L100 S105 H106 L107 I144 L148 I149 M152T40-I103 HydrophobicContact CG2-CG1 4.25Å; V43-I103 HydrophobicContact CB-CD1 4.42Å; V43-I103 HydrophobicContact CB-CG1 4.49Å; V43-I103 HydrophobicContact CG1-CD1 4.12Å; V43-I103 HydrophobicContact CG1-CG1 4.04Å; V43-I103 HydrophobicContact CG1-CG2 4.13Å; I47-I103 HydrophobicContact CD1-CG2 4.37Å; P99-I103 VanDerWaalsContact O-CG1 3.32Å; P99-I103 WeakPolarHBondContact O-CG1 3.4Å; P99-I103 PolarHBondContact O-N 3.04Å; L100-I103 PolarHBondContact O-N 3.5Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 3.39Å; I103-H106 PolarHBondContact O-N 2.88Å; I103-L107 HydrophobicContact CG2-CD1 4.26Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 3.26Å; I103-I144 HydrophobicContact CG2-CG2 3.8Å; I103-L148 HydrophobicContact CD1-CD1 4.1Å; I103-I149 HydrophobicContact CG2-CD1 4.08Å; I103-I149 HydrophobicContact CG2-CG1 4.21Å; I103-M152 HydrophobicContact CD1-CE 3.87Å; I103-M152 HydrophobicContact CD1-SD 4.22Å
104V95.8Very high83.4Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-65-39.3-179.8175.50000111L100 E101 L107 S108 I149 I168 L176 L177 L180L100-V104 HydrophobicContact CD1-CG2 3.86Å; L100-V104 WeakPolarHBondContact O-CB 3.38Å; L100-V104 VanDerWaalsContact O-CG2 3.26Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.4Å; E101-V104 PolarHBondContact O-N 3.1Å; V104-L107 PolarHBondContact O-N 2.97Å; V104-S108 WeakPolarHBondContact O-CB 3.34Å; V104-S108 PolarHBondContact O-N 2.9Å; V104-I149 HydrophobicContact CG2-CD1 4.06Å; V104-I149 HydrophobicContact CG2-CG1 4.43Å; V104-I149 HydrophobicContact CG2-CG2 4.34Å; V104-I168 HydrophobicContact CB-CD1 3.93Å; V104-I168 HydrophobicContact CG1-CD1 3.72Å; V104-L176 HydrophobicContact CG1-CB 4.29Å; V104-L176 HydrophobicContact CG1-CD2 4.05Å; V104-L176 HydrophobicContact CG1-CG 4.1Å; V104-L177 HydrophobicContact CG1-CB 4.07Å; V104-L177 HydrophobicContact CG2-CD1 4.42Å; V104-L180 HydrophobicContact CG2-CD1 4.31Å
105S94.5Very high80.7Confident20 Ų2044.1 Ų44.114%0.1424%0.236CC..Hα-helixtrans-60.4-45174.2-73.20000112.2E101 I103 S108 S109 I168 K169E101-S105 VanDerWaalsContact O-CB 3.25Å; E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 3.42Å; E101-S105 PolarHBondContact O-OG 3.33Å; E101-S105 VanDerWaalsContact O-OG 3.06Å; I103-S105 VanDerWaalsContact C-N 3.33Å; I103-S105 PolarHBondContact O-N 3.39Å; S105-S108 PolarHBondContact O-N 3.49Å; S105-S108 PolarHBondContact O-OG 3.4Å; S105-S109 PolarHBondContact O-N 3.11Å; S105-I168 WeakPolarHBondContact OG-CG1 3.17Å; S105-K169 WeakPolarHBondContact CB-O 3.4Å; S105-K169 PolarHBondContact OG-O 3.43Å
106H92.2Very high77.9Confident60 Ų6049.7 Ų49.728%0.27828%0.275SS..Hα-helixtrans-66.5-43.8177.3-75.478.6000112.1I44 I47 D48 S102 I103 S108 S109 C110I44-H106 HydrophobicContact CG1-CB 4.47Å; I44-H106 VanDerWaalsContact CG2-CD2 3.49Å; I44-H106 WeakPolarHBondContact CG2-CD2 3.1Å; I44-H106 WeakPolarHBondContact CG2-NE2 3.31Å; I47-H106 HydrophobicContact CD1-CB 4.3Å; I47-H106 HydrophobicContact CG2-CB 4.36Å; D48-H106 IonicContact OD1-CD2 3.96Å; S102-H106 PolarHBondContact O-N 3.3Å; S102-H106 VanDerWaalsContact O-N 3.09Å; S102-H106 PolarHBondContact O-ND1 3.29Å; I103-H106 PolarHBondContact O-N 2.88Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 2.76Å; H106-S109 WeakPolarHBondContact O-CB 3.38Å; H106-S109 PolarHBondContact O-N 2.92Å; H106-S109 VanDerWaalsContact O-N 3.12Å; H106-S109 PolarHBondContact O-OG 3.25Å; H106-C110 PolarHBondContact O-N 3.41Å
107L91.8Very high75Confident4 Ų454.2 Ų54.22%0.02131%0.307CS..Hα-helixtrans-58.8-40.5174.5-77178.8000112.7I47 I103 V104 S109 C110 S111 I136 I144 I149 L176I47-L107 HydrophobicContact CD1-CD2 3.95Å; I47-L107 HydrophobicContact CD1-CG 4.05Å; I47-L107 HydrophobicContact CG1-CD2 4.27Å; I103-L107 HydrophobicContact CG2-CD1 4.26Å; I103-L107 HydrophobicContact CG2-CG 4.49Å; I103-L107 WeakPolarHBondContact O-CG 3.39Å; I103-L107 PolarHBondContact O-N 3.26Å; V104-L107 PolarHBondContact O-N 2.97Å; L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 2.9Å; L107-C110 PolarHBondContact O-N 2.95Å; L107-S111 PolarHBondContact O-N 3.24Å; L107-I136 HydrophobicContact CD2-CD1 3.58Å; L107-I144 HydrophobicContact CD1-CG2 3.91Å; L107-I144 HydrophobicContact CD2-CD1 4.07Å; L107-I149 HydrophobicContact CD1-CD1 3.36Å; L107-L176 HydrophobicContact CB-CD2 4.15Å
108S90.6Very high72.2Confident1 Ų157 Ų571%0.00733%0.331CS..Hα-helixtrans-63.4-35.7178.478.50000111.8V104 S105 H106 C110 S111 A173V104-S108 WeakPolarHBondContact O-CB 3.34Å; V104-S108 PolarHBondContact O-N 2.9Å; S105-S108 PolarHBondContact O-N 3.49Å; S105-S108 PolarHBondContact O-OG 3.4Å; H106-S108 VanDerWaalsContact C-N 3.29Å; H106-S108 PolarHBondContact O-N 2.76Å; S108-C110 VanDerWaalsContact C-N 3.3Å; S108-C110 PolarHBondContact O-N 3.4Å; S108-S111 PolarHBondContact O-N 3.47Å; S108-S111 PolarHBondContact O-OG 3.32Å; S108-A173 WeakPolarHBondContact OG-CB 3.47Å
109S86.5Confident69.3Low64 Ų6460.2 Ų60.245%0.44835%0.351SS..Hα-helixtrans-67.9-30.7178.577.40000112.7S105 H106 L107S105-S109 PolarHBondContact O-N 3.11Å; H106-S109 WeakPolarHBondContact O-CB 3.38Å; H106-S109 PolarHBondContact O-N 2.92Å; H106-S109 VanDerWaalsContact O-N 3.12Å; H106-S109 PolarHBondContact O-OG 3.25Å; L107-S109 VanDerWaalsContact C-N 3.26Å; L107-S109 PolarHBondContact O-N 2.9Å
110C80.1Confident66.3Low6 Ų667.3 Ų67.34%0.04139%0.389CS..Hα-helixtrans-75.2-24175.2-67.20000113.5I47 H106 L107 S108 A134 I136I47-C110 WeakPolarHBondContact CG2-SG 3.25Å; H106-C110 PolarHBondContact O-N 3.41Å; L107-C110 PolarHBondContact O-N 2.95Å; S108-C110 VanDerWaalsContact C-N 3.3Å; S108-C110 PolarHBondContact O-N 3.4Å; C110-A134 VanDerWaalsContact CA-O 3.24Å; C110-A134 WeakPolarHBondContact CA-O 3.4Å; C110-A134 WeakPolarHBondContact CB-O 3.49Å; C110-I136 HydrophobicContact CB-CB 4.19Å; C110-I136 HydrophobicContact CB-CG2 3.99Å
111S63.2Low63.5Low63 Ų6374.9 Ų74.944%0.44143%0.428SS..Hα-helixtrans-82.5-11.5-175.961.40000114.8L107 S108 I113L107-S111 PolarHBondContact O-N 3.24Å; S108-S111 PolarHBondContact O-N 3.47Å; S108-S111 PolarHBondContact O-OG 3.32Å; S111-I113 VanDerWaalsContact C-N 3.33Å; S111-I113 PolarHBondContact O-N 2.91Å
112V48.6Very low60.5Low67 Ų6782.7 Ų82.741%0.40646%0.462SS..  trans-82.281.5-179.3-172.80000109.2K114 S133V112-K114 PolarHBondContact O-N 2.94Å; V112-K114 VanDerWaalsContact O-N 3.15Å; V112-S133 WeakPolarHBondContact O-CB 3.39Å; V112-S133 PolarHBondContact O-OG 2.99Å
113I41.4Very low57.6Low124 Ų12490.9 Ų90.964%0.63650%0.496SS*.  trans-61.3113.2148.5-59.8174.9000103.8S111 E115S111-I113 VanDerWaalsContact C-N 3.33Å; S111-I113 PolarHBondContact O-N 2.91Å; I113-E115 PolarHBondContact O-N 3.02Å
114K34.4Very low54.6Low160 Ų160100 Ų10070%0.69654%0.536SS*.  trans-59.795.4166.9-91.4-178.3172.9179.20106.2V112 S116V112-K114 PolarHBondContact O-N 2.94Å; V112-K114 VanDerWaalsContact O-N 3.15Å; K114-S116 PolarHBondContact O-N 3.16Å
115E29Very low51.5Low174 Ų174110.6 Ų110.681%0.81358%0.582SS**  trans-56.9101.9148.4-80.9-179.7166.900104.9I113 S117I113-E115 PolarHBondContact O-N 3.02Å; E115-S117 PolarHBondContact O-N 2.87Å
116S31.8Very low48.5Very low119 Ų119114.7 Ų114.783%0.83261%0.606SS**  trans-6671.7169.5500000108.1K114 S118K114-S116 PolarHBondContact O-N 3.16Å; S116-S118 PolarHBondContact O-N 3.49Å; S116-S118 VanDerWaalsContact O-N 3.15Å
117S32Very low45.7Very low96 Ų96122.1 Ų122.167%0.67164%0.638SS**  trans-7598.5165.960.80000107.4E115E115-S117 PolarHBondContact O-N 2.87Å
118S32.9Very low42.9Very low103 Ų103127 Ų12772%0.7267%0.668SS**  trans19.5109.3138.157.90000116.3S116S116-S118 PolarHBondContact O-N 3.49Å; S116-S118 VanDerWaalsContact O-N 3.15Å
119T32.4Very low40.1Very low139 Ų139133.2 Ų133.285%0.85371%0.706SS**  -173.3128.7125.1200000109.7
120N32.9Very low37.5Very low153 Ų153137.8 Ų137.882%0.81872%0.72SS**  trans-36.5142.5172.8-68.5-66.5000114
121I35.9Very low35.6Very low159 Ų159142.2 Ų142.282%0.81575%0.749SS**  177.1116118.8-83.9150.2000109.6
122K32.2Very low34.6Very low194 Ų194144.5 Ų144.584%0.84376%0.755SS**  trans49.7108.3152.1-69-177.6174.3-179.80119.2K124K122-K124 PolarHBondContact O-N 3.41Å
123E34.7Very low34.6Very low202 Ų202143.1 Ų143.194%0.94475%0.748SS**  trans-25.6102153.1-63.5176.3144.800113.9
124K33.3Very low35.2Very low191 Ų191138.4 Ų138.483%0.8373%0.728SS**  trans-120.4113.1146.1-98.8-176.8175.21790107.4K122 T126K122-K124 PolarHBondContact O-N 3.41Å; K124-T126 VanDerWaalsContact C-N 3.3Å; K124-T126 PolarHBondContact O-N 3.03Å; K124-T126 PolarHBondContact O-OG1 3Å
125K31.4Very low37.1Very low224 Ų224135.3 Ų135.397%0.97472%0.723SS**  trans-49.993.7168.1-90.1176.9171.41720109.3
126T32Very low39.8Very low105 Ų105127.8 Ų127.864%0.64469%0.688SS**  trans-125.4117.8159.93.60000105K124 T128K124-T126 VanDerWaalsContact C-N 3.3Å; K124-T126 PolarHBondContact O-N 3.03Å; K124-T126 PolarHBondContact O-OG1 3Å; T126-T128 PolarHBondContact O-N 3.09Å; T126-T128 PolarHBondContact O-OG1 3.13Å
127K33Very low42.4Very low216 Ų216123.5 Ų123.594%0.93966%0.658SS**  trans-54.588.4174.1-71.9177176.2178.60107.6T129K127-T129 PolarHBondContact O-N 3.32Å
128T32.6Very low45.1Very low107 Ų107126.9 Ų126.966%0.65666%0.661SS**  trans-90.995.5-177.8-46.70000104.3T126 E130T126-T128 PolarHBondContact O-N 3.09Å; T126-T128 PolarHBondContact O-OG1 3.13Å; T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.33Å
129T31.7Very low47.9Very low131 Ų131128.4 Ų128.480%0.80465%0.651SS**  trans-47.4102.3165.6-41.40000106.4K127 P131K127-T129 PolarHBondContact O-N 3.32Å; T129-P131 WeakPolarHBondContact O-CD 3.37Å
130E33Very low50.7Low160 Ų160121.8 Ų121.875%0.74861%0.61SS**  trans-56.3116.8-179.8-71.1-177.3158.400107.3T128 I132T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.33Å; E130-I132 PolarHBondContact O-N 3.31Å
131P38.7Very low53.6Low99 Ų99118 Ų11864%0.64359%0.586SS**  trans-72.992.5167.229.1-25.3000104.5T129 S133T129-P131 WeakPolarHBondContact O-CD 3.37Å; P131-S133 VanDerWaalsContact C-N 3.3Å; P131-S133 PolarHBondContact O-N 2.92Å
132I42Very low56.3Low111 Ų111113.5 Ų113.557%0.56956%0.564SS**  trans-51.4105.7164.3-60.9169.8000104.3E130 A134E130-I132 PolarHBondContact O-N 3.31Å; I132-A134 PolarHBondContact O-N 3.47Å; I132-A134 VanDerWaalsContact O-N 3.16Å
133S48.4Very low59.3Low38 Ų38106.5 Ų106.527%0.26653%0.534SS..  trans-58.3125.2-178.7-173.50000107.6V112 P131 T135V112-S133 WeakPolarHBondContact O-CB 3.39Å; V112-S133 PolarHBondContact O-OG 2.99Å; P131-S133 VanDerWaalsContact C-N 3.3Å; P131-S133 PolarHBondContact O-N 2.92Å; S133-T135 PolarHBondContact O-N 3.33Å
134A55.8Low62.1Low26 Ų2696.9 Ų96.922%0.21549%0.489CS..  trans-68.790.9-176.500000109.4C110 I132 I136C110-A134 VanDerWaalsContact CA-O 3.24Å; C110-A134 WeakPolarHBondContact CA-O 3.4Å; C110-A134 WeakPolarHBondContact CB-O 3.49Å; I132-A134 PolarHBondContact O-N 3.47Å; I132-A134 VanDerWaalsContact O-N 3.16Å; A134-I136 PolarHBondContact O-N 3.23Å; A134-I136 VanDerWaalsContact O-N 3.07Å
135T74.3Confident65.1Low95 Ų9588.4 Ų88.458%0.58345%0.453SS*.  trans-68.6111.3175.9-49.10000109.2S133S133-T135 PolarHBondContact O-N 3.33Å
136I85.3Confident68.1Low16 Ų1679.9 Ų79.98%0.08242%0.417CS..  trans-77.1137.9167.8-168171.2000109I47 L107 C110 A134 L140 K141 I144I47-I136 HydrophobicContact CG1-CD1 4.29Å; L107-I136 HydrophobicContact CD2-CD1 3.58Å; C110-I136 HydrophobicContact CB-CB 4.19Å; C110-I136 HydrophobicContact CB-CG2 3.99Å; A134-I136 PolarHBondContact O-N 3.23Å; A134-I136 VanDerWaalsContact O-N 3.07Å; I136-L140 HydrophobicContact CD1-CB 4.44Å; I136-L140 HydrophobicContact CD1-CD2 4.07Å; I136-L140 HydrophobicContact CD1-CG 4.03Å; I136-L140 HydrophobicContact CG1-CB 4.16Å; I136-L140 HydrophobicContact CG1-CD2 3.93Å; I136-L140 HydrophobicContact CG1-CG 4.14Å; I136-K141 HydrophobicContact CD1-CB 4.29Å; I136-K141 HydrophobicContact CG1-CB 4.45Å; I136-K141 HydrophobicContact CG2-CB 4.11Å; I136-K141 HydrophobicContact CG2-CD 4.39Å; I136-I144 HydrophobicContact CD1-CD1 3.86Å
137S86.6Confident71.1Confident29 Ų2978.5 Ų78.520%0.20340%0.403CS..  trans-62.1150.917571.10000110.6D64 R139 L140 K141D64-S137 WeakPolarHBondContact OD1-CB 3.39Å; D64-S137 PolarHBondContact OD1-OG 2.98Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 PolarHBondContact O-N 3.43Å; S137-L140 PolarHBondContact O-N 3.46Å; S137-L140 WeakPolarHBondContact OG-CB 3.21Å; S137-L140 PolarHBondContact OG-N 2.81Å; S137-L140 VanDerWaalsContact OG-N 3.08Å; S137-K141 WeakPolarHBondContact O-CB 3.29Å; S137-K141 PolarHBondContact O-N 2.77Å
138F88.5Confident74Confident167 Ų16768.2 Ų68.273%0.73236%0.358SS*.Hα-helixtrans-58-44.4175.4176.1-96.6000111.1K141 D142F138-K141 PolarHBondContact O-N 2.92Å; F138-D142 HydrophobicContact CE1-CB 4.41Å; F138-D142 WeakPolarHBondContact O-CB 3.47Å; F138-D142 PolarHBondContact O-N 3.36Å
139R91.2Very high77.1Confident135 Ų13563.1 Ų63.151%0.50933%0.327SS..Hα-helixtrans-61.2-46.9-179.1-171.9-165.2179.8-170.4-0.6112.5D64 S137 D142 F143D64-R139 WeakPolarHBondContact OD2-CD 3.28Å; D64-R139 IonicContact OD2-CZ 3.65Å; D64-R139 IonicContact OD2-NE 2.88Å; D64-R139 IonicContact OD2-NH1 2.67Å; D64-R139 PolarHBondContact OD2-NH1 3.14Å; D64-R139 VanDerWaalsContact OD2-NH1 3.12Å; S137-R139 VanDerWaalsContact C-N 3.28Å; S137-R139 PolarHBondContact O-N 3.43Å; R139-D142 PolarHBondContact O-N 3.31Å; R139-F143 WeakPolarHBondContact O-CB 3.27Å; R139-F143 PolarHBondContact O-N 3.29Å
140L91.9Very high80.1Confident0 Ų057.4 Ų57.40%029%0.291CS..Hα-helixtrans-67.2-41.5178.9-178.761.1000111.2I46 L67 M71 I136 S137 D142 F143 I144I46-L140 HydrophobicContact CG2-CD1 4.13Å; I46-L140 HydrophobicContact CG2-CD2 4.07Å; L67-L140 HydrophobicContact CB-CD1 4.48Å; L67-L140 HydrophobicContact CB-CD2 3.94Å; L67-L140 HydrophobicContact CD1-CD2 4.09Å; M71-L140 HydrophobicContact CB-CD1 4.07Å; M71-L140 HydrophobicContact CG-CD1 4.28Å; I136-L140 HydrophobicContact CD1-CB 4.44Å; I136-L140 HydrophobicContact CD1-CD2 4.07Å; I136-L140 HydrophobicContact CD1-CG 4.03Å; I136-L140 HydrophobicContact CG1-CB 4.16Å; I136-L140 HydrophobicContact CG1-CD2 3.93Å; I136-L140 HydrophobicContact CG1-CG 4.14Å; S137-L140 PolarHBondContact O-N 3.46Å; S137-L140 WeakPolarHBondContact OG-CB 3.21Å; S137-L140 PolarHBondContact OG-N 2.81Å; S137-L140 VanDerWaalsContact OG-N 3.08Å; L140-D142 VanDerWaalsContact C-N 3.35Å; L140-D142 PolarHBondContact O-N 2.9Å; L140-F143 WeakPolarHBondContact O-CB 3.21Å; L140-F143 PolarHBondContact O-N 3.13Å; L140-I144 HydrophobicContact CD1-CD1 4.22Å; L140-I144 HydrophobicContact CD1-CG1 4.43Å; L140-I144 HydrophobicContact CG-CD1 4Å; L140-I144 WeakPolarHBondContact O-CD1 3.43Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.44Å; L140-I144 PolarHBondContact O-N 3.4Å
141K92.7Very high83Confident72 Ų7250 Ų5031%0.31326%0.256SS..Hα-helixtrans-58.9-48.1174.6-178.1-178.7177.1-176.30111.1I136 S137 F138 F143 I144 V145I136-K141 HydrophobicContact CD1-CB 4.29Å; I136-K141 HydrophobicContact CG1-CB 4.45Å; I136-K141 HydrophobicContact CG2-CB 4.11Å; I136-K141 HydrophobicContact CG2-CD 4.39Å; S137-K141 WeakPolarHBondContact O-CB 3.29Å; S137-K141 PolarHBondContact O-N 2.77Å; F138-K141 PolarHBondContact O-N 2.92Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 2.77Å; K141-I144 PolarHBondContact O-N 3.43Å; K141-V145 WeakPolarHBondContact O-CB 3.39Å; K141-V145 VanDerWaalsContact O-CG2 3.29Å; K141-V145 WeakPolarHBondContact O-CG2 3.45Å; K141-V145 PolarHBondContact O-N 3.11Å
142D93Very high85.6Confident65 Ų6545.3 Ų45.335%0.34823%0.226SC..Hα-helixtrans-58.3-47.1177.5-16880.1000110.8F138 R139 L140 I144 V145 H146F138-D142 HydrophobicContact CE1-CB 4.41Å; F138-D142 WeakPolarHBondContact O-CB 3.47Å; F138-D142 PolarHBondContact O-N 3.36Å; R139-D142 PolarHBondContact O-N 3.31Å; L140-D142 VanDerWaalsContact C-N 3.35Å; L140-D142 PolarHBondContact O-N 2.9Å; D142-I144 PolarHBondContact O-N 2.98Å; D142-V145 PolarHBondContact O-N 3.34Å; D142-H146 VanDerWaalsContact CG-ND1 3.29Å; D142-H146 WeakPolarHBondContact O-CB 3.44Å; D142-H146 PolarHBondContact O-N 2.9Å; D142-H146 PolarHBondContact O-ND1 2.94Å; D142-H146 IonicContact OD1-CE1 3.12Å; D142-H146 PolarHBondContact OD1-CE1 3.16Å; D142-H146 IonicContact OD1-ND1 3.19Å; D142-H146 PolarHBondContact OD1-ND1 3.49Å; D142-H146 IonicContact OD2-CE1 2.94Å; D142-H146 PolarHBondContact OD2-CE1 3.49Å; D142-H146 IonicContact OD2-ND1 3.87Å; D142-H146 PolarHBondContact OD2-ND1 2.96Å; D142-H146 VanDerWaalsContact OD2-ND1 3.11Å
143F94.3Very high88.1Confident47 Ų4740.9 Ų40.921%0.20620%0.203CC..Hα-helixtrans-57.4-48.4177.1-162.1-69.8000112.3M71 A72 V75 R139 L140 K141 H146 H147M71-F143 HydrophobicContact CB-CD1 4.11Å; M71-F143 HydrophobicContact CB-CE1 4.16Å; M71-F143 HydrophobicContact CG-CD1 3.41Å; M71-F143 VanDerWaalsContact CG-CD1 3.41Å; M71-F143 HydrophobicContact CG-CE1 3.68Å; M71-F143 HydrophobicContact CG-CG 4.32Å; A72-F143 HydrophobicContact CB-CZ 3.98Å; V75-F143 HydrophobicContact CB-CE1 4.27Å; V75-F143 HydrophobicContact CG2-CD1 4.48Å; V75-F143 HydrophobicContact CG2-CE1 3.91Å; R139-F143 WeakPolarHBondContact O-CB 3.27Å; R139-F143 PolarHBondContact O-N 3.29Å; L140-F143 WeakPolarHBondContact O-CB 3.21Å; L140-F143 PolarHBondContact O-N 3.13Å; K141-F143 VanDerWaalsContact C-N 3.34Å; K141-F143 PolarHBondContact O-N 2.77Å; F143-H146 PolarHBondContact O-N 2.97Å; F143-H147 HydrophobicContact CD1-CB 4.32Å; F143-H147 AromaticContact CD1-CD2 3.76Å; F143-H147 HydrophobicContact CE1-CB 4.2Å; F143-H147 AromaticContact CE1-CD2 3.81Å; F143-H147 AromaticContact CG-CD2 3.91Å; F143-H147 WeakPolarHBondContact O-CB 3.23Å; F143-H147 PolarHBondContact O-CD2 3.37Å; F143-H147 PolarHBondContact O-N 2.99Å
144I95.5Very high90.2Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-63.4-44179.6-65.2161.4000110.6V43 I47 M71 I103 L107 I136 L140 K141 D142 L148 I149V43-I144 HydrophobicContact CG1-CG2 4.48Å; I47-I144 HydrophobicContact CD1-CD1 4.09Å; I47-I144 HydrophobicContact CG1-CD1 3.72Å; M71-I144 HydrophobicContact CE-CB 4.41Å; M71-I144 HydrophobicContact CE-CG1 3.73Å; M71-I144 HydrophobicContact CG-CG1 4.28Å; M71-I144 HydrophobicContact SD-CG1 3.81Å; I103-I144 HydrophobicContact CG2-CG2 3.8Å; L107-I144 HydrophobicContact CD1-CG2 3.91Å; L107-I144 HydrophobicContact CD2-CD1 4.07Å; I136-I144 HydrophobicContact CD1-CD1 3.86Å; L140-I144 HydrophobicContact CD1-CD1 4.22Å; L140-I144 HydrophobicContact CD1-CG1 4.43Å; L140-I144 HydrophobicContact CG-CD1 4Å; L140-I144 WeakPolarHBondContact O-CD1 3.43Å; L140-I144 VanDerWaalsContact O-CG1 3.27Å; L140-I144 WeakPolarHBondContact O-CG1 3.44Å; L140-I144 PolarHBondContact O-N 3.4Å; K141-I144 PolarHBondContact O-N 3.43Å; D142-I144 PolarHBondContact O-N 2.98Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 PolarHBondContact O-N 3.23Å; I144-I149 HydrophobicContact CG2-CD1 4.03Å; I144-I149 HydrophobicContact CG2-CG1 4.34Å; I144-I149 PolarHBondContact O-N 3.33Å; I144-I149 VanDerWaalsContact O-N 3.09Å
145V95.4Very high91.9Very high13 Ų1341.7 Ų41.78%0.07920%0.195CC..Iπ-helixtrans-61.5-49.4179.9167.50000110.8K141 D142 I149 F150 L180K141-V145 WeakPolarHBondContact O-CB 3.39Å; K141-V145 VanDerWaalsContact O-CG2 3.29Å; K141-V145 WeakPolarHBondContact O-CG2 3.45Å; K141-V145 PolarHBondContact O-N 3.11Å; D142-V145 PolarHBondContact O-N 3.34Å; V145-I149 HydrophobicContact CG2-CD1 4.1Å; V145-I149 PolarHBondContact O-N 2.84Å; V145-F150 HydrophobicContact CG1-CD1 4.21Å; V145-F150 HydrophobicContact CG1-CD2 4.24Å; V145-F150 HydrophobicContact CG1-CE1 3.69Å; V145-F150 HydrophobicContact CG1-CE2 3.69Å; V145-F150 HydrophobicContact CG1-CG 4.48Å; V145-F150 HydrophobicContact CG1-CZ 3.4Å; V145-F150 WeakPolarHBondContact O-CG 3.26Å; V145-F150 PolarHBondContact O-N 3.32Å; V145-L180 HydrophobicContact CG1-CD2 3.7Å; V145-L180 HydrophobicContact CG2-CD2 4.03Å
146H93.8Very high92.7Very high45 Ų4537.8 Ų37.821%0.20817%0.171CC..Iπ-helixtrans-73.3-41-174.2-73.491.1000113.9D142 F143 F150 P151 R187D142-H146 VanDerWaalsContact CG-ND1 3.29Å; D142-H146 WeakPolarHBondContact O-CB 3.44Å; D142-H146 PolarHBondContact O-N 2.9Å; D142-H146 PolarHBondContact O-ND1 2.94Å; D142-H146 IonicContact OD1-CE1 3.12Å; D142-H146 PolarHBondContact OD1-CE1 3.16Å; D142-H146 IonicContact OD1-ND1 3.19Å; D142-H146 PolarHBondContact OD1-ND1 3.49Å; D142-H146 IonicContact OD2-CE1 2.94Å; D142-H146 PolarHBondContact OD2-CE1 3.49Å; D142-H146 IonicContact OD2-ND1 3.87Å; D142-H146 PolarHBondContact OD2-ND1 2.96Å; D142-H146 VanDerWaalsContact OD2-ND1 3.11Å; F143-H146 PolarHBondContact O-N 2.97Å; H146-F150 AromaticContact CD2-CE2 3.83Å; H146-F150 AromaticContact NE2-CE2 3.93Å; H146-P151 WeakPolarHBondContact O-CD 3.49Å; H146-R187 PolarHBondContact CD2-NH1 3.44Å; H146-R187 PolarHBondContact NE2-NH1 3.16Å; H146-R187 PolarHBondContact NE2-NH2 3.37Å
147H94.9Very high92.9Very high77 Ų7738.9 Ų38.936%0.35618%0.177SC..Iπ-helixtrans-100.5-13.2-170.1-62.7-74.6000114.1V75 H79 F143V75-H147 HydrophobicContact CG1-CB 3.49Å; V75-H147 VanDerWaalsContact CG1-CB 3.49Å; V75-H147 HydrophobicContact CG2-CB 4.48Å; H79-H147 PolarHBondContact CE1-O 3.47Å; H79-H147 AromaticContact NE2-ND1 3.79Å; H79-H147 PolarHBondContact NE2-O 3.5Å; F143-H147 HydrophobicContact CD1-CB 4.32Å; F143-H147 AromaticContact CD1-CD2 3.76Å; F143-H147 HydrophobicContact CE1-CB 4.2Å; F143-H147 AromaticContact CE1-CD2 3.81Å; F143-H147 AromaticContact CG-CD2 3.91Å; F143-H147 WeakPolarHBondContact O-CB 3.23Å; F143-H147 PolarHBondContact O-CD2 3.37Å; F143-H147 PolarHBondContact O-N 2.99Å
148L95.4Very high93Very high0 Ų046.9 Ų46.90%021%0.208CC..Iπ-helixtrans-118.6-58.9171.7-68.4-171.9000112.5V43 M71 V75 F78 I103 I144 F150 P151 M152V43-L148 HydrophobicContact CB-CD1 4.38Å; V43-L148 HydrophobicContact CG1-CD1 4.09Å; V43-L148 HydrophobicContact CG2-CD1 3.44Å; V43-L148 VanDerWaalsContact CG2-CD1 3.44Å; M71-L148 HydrophobicContact CE-CD1 3.16Å; M71-L148 HydrophobicContact CE-CG 3.69Å; V75-L148 HydrophobicContact CB-CD2 4.39Å; V75-L148 HydrophobicContact CG1-CD2 4.14Å; V75-L148 HydrophobicContact CG2-CD1 4.31Å; V75-L148 HydrophobicContact CG2-CD2 3.83Å; V75-L148 HydrophobicContact CG2-CG 3.83Å; F78-L148 HydrophobicContact CB-CD2 3.93Å; F78-L148 HydrophobicContact CD1-CD2 3.23Å; F78-L148 HydrophobicContact CD2-CD2 4.13Å; F78-L148 HydrophobicContact CE1-CD2 3.62Å; F78-L148 HydrophobicContact CE2-CD2 4.46Å; F78-L148 HydrophobicContact CG-CD2 3.48Å; F78-L148 VanDerWaalsContact CG-CD2 3.48Å; F78-L148 HydrophobicContact CZ-CD2 4.21Å; I103-L148 HydrophobicContact CD1-CD1 4.1Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 PolarHBondContact O-N 3.23Å; L148-F150 PolarHBondContact O-N 3.49Å; L148-P151 WeakPolarHBondContact O-CD 3.4Å; L148-M152 HydrophobicContact CB-CE 4.37Å; L148-M152 WeakPolarHBondContact O-CB 3.47Å; L148-M152 WeakPolarHBondContact O-CG 3.2Å; L148-M152 PolarHBondContact O-N 3.06Å
149I96Very high93.1Very high0 Ų046.4 Ų46.40%020%0.202CC..Iπ-helixtrans-67.7-44.9-165.9-64.3169.2000111.5L100 I103 V104 L107 I144 V145 M152 I153 L180L100-I149 HydrophobicContact CD1-CG2 3.76Å; I103-I149 HydrophobicContact CG2-CD1 4.08Å; I103-I149 HydrophobicContact CG2-CG1 4.21Å; V104-I149 HydrophobicContact CG2-CD1 4.06Å; V104-I149 HydrophobicContact CG2-CG1 4.43Å; V104-I149 HydrophobicContact CG2-CG2 4.34Å; L107-I149 HydrophobicContact CD1-CD1 3.36Å; I144-I149 HydrophobicContact CG2-CD1 4.03Å; I144-I149 HydrophobicContact CG2-CG1 4.34Å; I144-I149 PolarHBondContact O-N 3.33Å; I144-I149 VanDerWaalsContact O-N 3.09Å; V145-I149 HydrophobicContact CG2-CD1 4.1Å; V145-I149 PolarHBondContact O-N 2.84Å; I149-M152 WeakPolarHBondContact O-CB 3.35Å; I149-M152 PolarHBondContact O-N 2.89Å; I149-I153 HydrophobicContact CG2-CD1 3.63Å; I149-I153 HydrophobicContact CG2-CG1 4.15Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.5Å; I149-L180 HydrophobicContact CD1-CD1 4.23Å; I149-L180 HydrophobicContact CG2-CB 4.5Å; I149-L180 HydrophobicContact CG2-CD1 3.94Å
150F95.3Very high93.1Very high11 Ų1140 Ų405%0.04818%0.178CC..Hα-helixtrans-61.6-49.7177.3-69-21.3000112.9V145 H146 L148 M152 I153 R154 L180 D183 A184V145-F150 HydrophobicContact CG1-CD1 4.21Å; V145-F150 HydrophobicContact CG1-CD2 4.24Å; V145-F150 HydrophobicContact CG1-CE1 3.69Å; V145-F150 HydrophobicContact CG1-CE2 3.69Å; V145-F150 HydrophobicContact CG1-CG 4.48Å; V145-F150 HydrophobicContact CG1-CZ 3.4Å; V145-F150 WeakPolarHBondContact O-CG 3.26Å; V145-F150 PolarHBondContact O-N 3.32Å; H146-F150 AromaticContact CD2-CE2 3.83Å; H146-F150 AromaticContact NE2-CE2 3.93Å; L148-F150 PolarHBondContact O-N 3.49Å; F150-M152 VanDerWaalsContact C-N 3.29Å; F150-M152 PolarHBondContact O-N 3.46Å; F150-I153 HydrophobicContact CD1-CD1 4.41Å; F150-I153 PolarHBondContact O-N 3.03Å; F150-I153 VanDerWaalsContact O-N 3.14Å; F150-R154 WeakPolarHBondContact O-CG 3.4Å; F150-R154 PolarHBondContact O-N 2.91Å; F150-L180 HydrophobicContact CE1-CB 4.47Å; F150-L180 HydrophobicContact CE1-CD2 4.08Å; F150-D183 HydrophobicContact CE1-CB 4.18Å; F150-D183 HydrophobicContact CZ-CB 4.05Å; F150-A184 HydrophobicContact CD1-CB 3.83Å; F150-A184 HydrophobicContact CE1-CB 4.18Å; F150-A184 HydrophobicContact CG-CB 4.5Å
151P93.3Very high93.2Very high3 Ų341 Ų412%0.01918%0.182CC..Hα-helixtrans-54-42.5170.9-28.634000113.7F78 I83 H146 L148 I153 R154 A155F78-P151 HydrophobicContact CE1-CB 3.94Å; F78-P151 HydrophobicContact CZ-CB 4.41Å; I83-P151 HydrophobicContact CD1-CB 4.06Å; H146-P151 WeakPolarHBondContact O-CD 3.49Å; L148-P151 WeakPolarHBondContact O-CD 3.4Å; P151-I153 PolarHBondContact O-N 3.26Å; P151-R154 PolarHBondContact O-N 3.45Å; P151-A155 WeakPolarHBondContact O-CB 3.32Å; P151-A155 PolarHBondContact O-N 3.29Å
152M95.1Very high93.2Very high1 Ų139 Ų391%0.00518%0.183CC..Hα-helixtrans-62.1-41.9176.5-73.2-179.8-177.800112.4F78 I96 P99 L100 I103 L148 I149 F150 R154 A155 C156F78-M152 HydrophobicContact CD2-CE 4.25Å; F78-M152 HydrophobicContact CE2-CE 3.52Å; F78-M152 HydrophobicContact CE2-CG 4.14Å; F78-M152 HydrophobicContact CZ-CE 3.74Å; F78-M152 HydrophobicContact CZ-CG 3.62Å; I96-M152 HydrophobicContact CG2-CB 3.51Å; I96-M152 HydrophobicContact CG2-CG 3.65Å; I96-M152 HydrophobicContact CG2-SD 4.35Å; P99-M152 HydrophobicContact CB-CE 4.15Å; P99-M152 HydrophobicContact CB-SD 4.39Å; L100-M152 HydrophobicContact CB-CB 4.43Å; L100-M152 HydrophobicContact CB-SD 4.21Å; L100-M152 HydrophobicContact CD1-CB 4.11Å; L100-M152 HydrophobicContact CD1-SD 4.46Å; I103-M152 HydrophobicContact CD1-CE 3.87Å; I103-M152 HydrophobicContact CD1-SD 4.22Å; L148-M152 HydrophobicContact CB-CE 4.37Å; L148-M152 WeakPolarHBondContact O-CB 3.47Å; L148-M152 WeakPolarHBondContact O-CG 3.2Å; L148-M152 PolarHBondContact O-N 3.06Å; I149-M152 WeakPolarHBondContact O-CB 3.35Å; I149-M152 PolarHBondContact O-N 2.89Å; F150-M152 VanDerWaalsContact C-N 3.29Å; F150-M152 PolarHBondContact O-N 3.46Å; M152-R154 VanDerWaalsContact C-N 3.3Å; M152-R154 PolarHBondContact O-N 2.99Å; M152-A155 PolarHBondContact O-N 2.88Å; M152-C156 PolarHBondContact O-N 3.2Å; M152-C156 VanDerWaalsContact O-N 3.11Å; M152-C156 PolarHBondContact O-SG 3.12Å
153I94.5Very high93.2Very high18 Ų1839 Ų399%0.09218%0.181CC..Hα-helixtrans-63.8-38.9177.6-73169.8000110.6L100 I149 F150 P151 C156 M161 L180 I181 A184L100-I153 HydrophobicContact CD1-CG1 4.28Å; L100-I153 HydrophobicContact CD2-CG1 4.17Å; I149-I153 HydrophobicContact CG2-CD1 3.63Å; I149-I153 HydrophobicContact CG2-CG1 4.15Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.5Å; F150-I153 HydrophobicContact CD1-CD1 4.41Å; F150-I153 PolarHBondContact O-N 3.03Å; F150-I153 VanDerWaalsContact O-N 3.14Å; P151-I153 PolarHBondContact O-N 3.26Å; I153-C156 PolarHBondContact O-N 3.14Å; I153-M161 HydrophobicContact CB-CE 4.26Å; I153-M161 HydrophobicContact CG1-CE 4.13Å; I153-M161 HydrophobicContact CG2-CE 4.08Å; I153-L180 HydrophobicContact CD1-CB 3.92Å; I153-I181 HydrophobicContact CD1-CG1 4.13Å; I153-I181 HydrophobicContact CG1-CG1 4.44Å; I153-I181 HydrophobicContact CG2-CG1 4.27Å; I153-A184 HydrophobicContact CB-CB 4.46Å; I153-A184 HydrophobicContact CD1-CB 4.44Å; I153-A184 HydrophobicContact CG2-CB 3.85Å
154R91.5Very high93.1Very high82 Ų8236.8 Ų36.831%0.30917%0.171SC..Hα-helixtrans-73-32.6179.9-67.1-172-56.2-153.25.9113.1E84 F150 P151 M152 N188E84-R154 HydrophobicContact CG-CB 4.49Å; E84-R154 WeakPolarHBondContact OE1-CB 3.31Å; E84-R154 IonicContact OE1-CZ 3.11Å; E84-R154 IonicContact OE1-NE 3.29Å; E84-R154 PolarHBondContact OE1-NE 3.42Å; E84-R154 IonicContact OE1-NH2 2.66Å; E84-R154 PolarHBondContact OE1-NH2 3.36Å; E84-R154 IonicContact OE2-NH2 2.73Å; F150-R154 WeakPolarHBondContact O-CG 3.4Å; F150-R154 PolarHBondContact O-N 2.91Å; P151-R154 PolarHBondContact O-N 3.45Å; M152-R154 VanDerWaalsContact C-N 3.3Å; M152-R154 PolarHBondContact O-N 2.99Å; R154-N188 VanDerWaalsContact CD-ND2 3.27Å; R154-N188 WeakPolarHBondContact CD-ND2 3.24Å; R154-N188 WeakPolarHBondContact CD-OD1 3.4Å; R154-N188 PolarHBondContact NH1-OD1 3.24Å
155A91Very high93Very high0 Ų040 Ų400%019%0.185CC..Hα-helixtrans-78.7-17.217500000113.9I83 Y89 S93 I96 P151 M152I83-A155 HydrophobicContact CB-CB 4.17Å; I83-A155 HydrophobicContact CD1-CB 3.76Å; I83-A155 HydrophobicContact CG1-CB 4.01Å; I83-A155 WeakPolarHBondContact O-CB 3.42Å; Y89-A155 VanDerWaalsContact CE2-O 3.28Å; Y89-A155 WeakPolarHBondContact CE2-O 3.37Å; S93-A155 WeakPolarHBondContact CA-O 3.45Å; S93-A155 VanDerWaalsContact CB-O 3.29Å; S93-A155 WeakPolarHBondContact CB-O 3.35Å; I96-A155 HydrophobicContact CD1-CB 3.61Å; P151-A155 WeakPolarHBondContact O-CB 3.32Å; P151-A155 PolarHBondContact O-N 3.29Å; M152-A155 PolarHBondContact O-N 2.88Å
156C90.6Very high92.8Very high12 Ų1245.4 Ų45.48%0.08121%0.213CC..SBendtrans-77.9123176.5-760000111.8M152 I153 M161M152-C156 PolarHBondContact O-N 3.2Å; M152-C156 VanDerWaalsContact O-N 3.11Å; M152-C156 PolarHBondContact O-SG 3.12Å; I153-C156 PolarHBondContact O-N 3.14Å; C156-M161 HydrophobicContact CB-CB 4.32Å; C156-M161 HydrophobicContact CB-CE 3.59Å
157D89.5Confident92.5Very high39 Ų3945 Ų4521%0.20922%0.22CC..  trans-67.9169.6168.373.151.2000112.4Y89 S93 W159 A160 M161Y89-D157 HydrophobicContact CE1-CB 4.05Å; Y89-D157 WeakPolarHBondContact OH-CA 3.42Å; Y89-D157 PolarHBondContact OH-N 3.48Å; S93-D157 WeakPolarHBondContact OG-CB 3.32Å; S93-D157 PolarHBondContact OG-N 3.5Å; S93-D157 PolarHBondContact OG-OD2 3.27Å; D157-W159 VanDerWaalsContact C-N 3.26Å; D157-W159 PolarHBondContact O-N 3.08Å; D157-W159 VanDerWaalsContact OD1-CA 3.3Å; D157-W159 WeakPolarHBondContact OD1-CA 3.39Å; D157-W159 VanDerWaalsContact OD1-CB 3.31Å; D157-W159 WeakPolarHBondContact OD1-CB 3.31Å; D157-W159 PolarHBondContact OD1-N 3.4Å; D157-A160 PolarHBondContact O-N 2.82Å; D157-A160 PolarHBondContact OD1-N 3.34Å; D157-M161 WeakPolarHBondContact O-CB 3.45Å; D157-M161 PolarHBondContact O-N 3.44Å
158K90.3Very high92.5Very high198 Ų19841.8 Ų41.886%0.86121%0.206SC*.Hα-helixtrans-59-36-178-66.3-179.2-178.1175.90112.8G162K158-G162 PolarHBondContact O-N 2.48Å
159W90.4Very high92.2Very high157 Ų15749.6 Ų49.660%0.59524%0.24SC*.Hα-helixtrans-73.4-50179.9-178.592.4000110.7D157 M161 G162 Q163D157-W159 VanDerWaalsContact C-N 3.26Å; D157-W159 PolarHBondContact O-N 3.08Å; D157-W159 VanDerWaalsContact OD1-CA 3.3Å; D157-W159 WeakPolarHBondContact OD1-CA 3.39Å; D157-W159 VanDerWaalsContact OD1-CB 3.31Å; D157-W159 WeakPolarHBondContact OD1-CB 3.31Å; D157-W159 PolarHBondContact OD1-N 3.4Å; W159-M161 VanDerWaalsContact C-N 3.31Å; W159-M161 PolarHBondContact O-N 3.25Å; W159-G162 WeakPolarHBondContact O-CA 3.15Å; W159-G162 PolarHBondContact O-N 3.48Å; W159-G162 VanDerWaalsContact O-N 3.1Å; W159-Q163 HydrophobicContact CD2-CG 4.03Å; W159-Q163 HydrophobicContact CE3-CG 4.1Å; W159-Q163 HydrophobicContact CH2-CG 3.86Å; W159-Q163 HydrophobicContact CZ2-CG 3.79Å; W159-Q163 HydrophobicContact CZ3-CG 4.01Å; W159-Q163 WeakPolarHBondContact O-CG 3.26Å; W159-Q163 PolarHBondContact O-N 2.92Å
160A91.5Very high91.9Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-59-42.8177.300000111.2S93 D157 Q163 A164S93-A160 WeakPolarHBondContact O-CB 2.78Å; S93-A160 WeakPolarHBondContact OG-CB 3.27Å; D157-A160 PolarHBondContact O-N 2.82Å; D157-A160 PolarHBondContact OD1-N 3.34Å; A160-Q163 WeakPolarHBondContact O-CB 3.48Å; A160-Q163 PolarHBondContact O-N 3.02Å; A160-A164 PolarHBondContact O-N 3.41Å
161M93.6Very high91.6Very high20 Ų2059.7 Ų59.710%0.09929%0.293CS..Hα-helixtrans-65.4-39.5174.4-174.355.964.200112.5L100 I153 C156 D157 W159 Q163 A164 K165 I181L100-M161 HydrophobicContact CD2-CE 3.99Å; I153-M161 HydrophobicContact CB-CE 4.26Å; I153-M161 HydrophobicContact CG1-CE 4.13Å; I153-M161 HydrophobicContact CG2-CE 4.08Å; C156-M161 HydrophobicContact CB-CB 4.32Å; C156-M161 HydrophobicContact CB-CE 3.59Å; D157-M161 WeakPolarHBondContact O-CB 3.45Å; D157-M161 PolarHBondContact O-N 3.44Å; W159-M161 VanDerWaalsContact C-N 3.31Å; W159-M161 PolarHBondContact O-N 3.25Å; M161-Q163 VanDerWaalsContact C-N 3.32Å; M161-Q163 PolarHBondContact O-N 3.04Å; M161-A164 WeakPolarHBondContact O-CB 3.4Å; M161-A164 PolarHBondContact O-N 3.29Å; M161-A164 HydrophobicContact SD-CB 4.45Å; M161-K165 WeakPolarHBondContact O-CG 3.48Å; M161-K165 PolarHBondContact O-N 2.84Å; M161-I181 HydrophobicContact CE-CD1 4.4Å; M161-I181 HydrophobicContact CE-CG1 4.43Å; M161-I181 HydrophobicContact CG-CD1 4.17Å; M161-I181 HydrophobicContact SD-CD1 3.37Å; M161-I181 WeakPolarHBondContact SD-CD1 3.27Å; M161-I181 HydrophobicContact SD-CG1 4.01Å
162G92.5Very high91.5Very high31 Ų3162.1 Ų62.132%0.3231%0.309SS..Hα-helixtrans-60.1-43.7173.200000111.8K158 W159 K165 L166K158-G162 PolarHBondContact O-N 2.48Å; W159-G162 WeakPolarHBondContact O-CA 3.15Å; W159-G162 PolarHBondContact O-N 3.48Å; W159-G162 VanDerWaalsContact O-N 3.1Å; G162-K165 PolarHBondContact O-N 3.46Å; G162-L166 WeakPolarHBondContact O-CG 3.49Å; G162-L166 PolarHBondContact O-N 3.25Å
163Q92.7Very high91.4Very high65 Ų6562.1 Ų62.130%0.30431%0.309SS..Hα-helixtrans-64.9-39.5174.5-68.1-61.1-43.800112.1K97 W159 A160 M161 K165 L166 G167K97-Q163 HydrophobicContact CD-CB 3.77Å; W159-Q163 HydrophobicContact CD2-CG 4.03Å; W159-Q163 HydrophobicContact CE3-CG 4.1Å; W159-Q163 HydrophobicContact CH2-CG 3.86Å; W159-Q163 HydrophobicContact CZ2-CG 3.79Å; W159-Q163 HydrophobicContact CZ3-CG 4.01Å; W159-Q163 WeakPolarHBondContact O-CG 3.26Å; W159-Q163 PolarHBondContact O-N 2.92Å; A160-Q163 WeakPolarHBondContact O-CB 3.48Å; A160-Q163 PolarHBondContact O-N 3.02Å; M161-Q163 VanDerWaalsContact C-N 3.32Å; M161-Q163 PolarHBondContact O-N 3.04Å; Q163-K165 PolarHBondContact O-N 2.84Å; Q163-L166 PolarHBondContact O-N 3.32Å; Q163-G167 PolarHBondContact O-N 3.07Å
164A92.6Very high91.4Very high0 Ų064.7 Ų64.70%032%0.32CS..Hα-helixtrans-58.2-46.1175.100000112.1K97 E101 A160 M161 L166 G167 I168 L177K97-A164 HydrophobicContact CG-CB 4.07Å; E101-A164 HydrophobicContact CG-CB 4.26Å; E101-A164 VanDerWaalsContact OE1-CA 3.27Å; E101-A164 WeakPolarHBondContact OE1-CA 3.38Å; A160-A164 PolarHBondContact O-N 3.41Å; M161-A164 WeakPolarHBondContact O-CB 3.4Å; M161-A164 PolarHBondContact O-N 3.29Å; M161-A164 HydrophobicContact SD-CB 4.45Å; A164-L166 VanDerWaalsContact C-N 3.25Å; A164-L166 PolarHBondContact O-N 3.02Å; A164-G167 PolarHBondContact O-N 3.07Å; A164-I168 VanDerWaalsContact O-CB 3.3Å; A164-I168 WeakPolarHBondContact O-CB 3.25Å; A164-I168 WeakPolarHBondContact O-CG2 3.07Å; A164-I168 PolarHBondContact O-N 3.17Å; A164-L177 HydrophobicContact CB-CD2 4.35Å
165K93Very high91.5Very high68 Ų6863.4 Ų63.430%0.29633%0.326SS..Hα-helixtrans-64.8-26.1178-71.3178.8177.7-168.50114.2M161 G162 Q163 K174 L177 N178M161-K165 WeakPolarHBondContact O-CG 3.48Å; M161-K165 PolarHBondContact O-N 2.84Å; G162-K165 PolarHBondContact O-N 3.46Å; Q163-K165 PolarHBondContact O-N 2.84Å; K165-K174 WeakPolarHBondContact O-CE 3.4Å; K165-K174 PolarHBondContact O-NZ 3.32Å; K165-K174 VanDerWaalsContact O-NZ 3.14Å; K165-L177 HydrophobicContact CG-CD2 4.2Å; K165-N178 WeakPolarHBondContact CE-OD1 3.3Å
166L91.5Very high91.6Very high127 Ų12764.5 Ų64.567%0.66533%0.332SS*.Hα-helixtrans-85.7-39.2177.1-68.9173.4000111.8G162 Q163 A164G162-L166 WeakPolarHBondContact O-CG 3.49Å; G162-L166 PolarHBondContact O-N 3.25Å; Q163-L166 PolarHBondContact O-N 3.32Å; A164-L166 VanDerWaalsContact C-N 3.25Å; A164-L166 PolarHBondContact O-N 3.02Å
167G88.3Confident91.9Very high36 Ų3663.9 Ų63.937%0.37133%0.328SS..Hα-helixtrans-77.3-31.5-17700000114.3Q163 A164 K169Q163-G167 PolarHBondContact O-N 3.07Å; A164-G167 PolarHBondContact O-N 3.07Å; G167-K169 PolarHBondContact O-N 2.9Å
168I93.3Very high92.2Very high9 Ų964.8 Ų64.85%0.04633%0.333CS..  trans-65.6130.3-171.5-161.6170.5000113E101 V104 S105 A164 A173 K174 L177E101-I168 HydrophobicContact CG-CB 4.26Å; V104-I168 HydrophobicContact CB-CD1 3.93Å; V104-I168 HydrophobicContact CG1-CD1 3.72Å; S105-I168 WeakPolarHBondContact OG-CG1 3.17Å; A164-I168 VanDerWaalsContact O-CB 3.3Å; A164-I168 WeakPolarHBondContact O-CB 3.25Å; A164-I168 WeakPolarHBondContact O-CG2 3.07Å; A164-I168 PolarHBondContact O-N 3.17Å; I168-A173 HydrophobicContact CD1-CB 3.83Å; I168-A173 HydrophobicContact CG1-CB 3.82Å; I168-K174 HydrophobicContact CG2-CB 3.75Å; I168-K174 HydrophobicContact CG2-CG 3.99Å; I168-L177 HydrophobicContact CD1-CB 4.05Å; I168-L177 HydrophobicContact CD1-CD2 3.98Å; I168-L177 HydrophobicContact CG2-CD2 4.15Å
169K89.4Confident92.4Very high165 Ų16560.7 Ų60.772%0.71732%0.317SS*.  trans-138.7148.4176.1-65.4177.5-177174.30108.9S105 G167S105-K169 WeakPolarHBondContact CB-O 3.4Å; S105-K169 PolarHBondContact OG-O 3.43Å; G167-K169 PolarHBondContact O-N 2.9Å
170P90.5Very high92.6Very high67 Ų6753.6 Ų53.644%0.43529%0.29SS..SBendcis-75179.5-131.6-38.3000114.4C172 A173 K174P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 WeakPolarHBondContact CG-SG 3.21Å; P170-C172 PolarHBondContact O-N 3.48Å; P170-A173 VanDerWaalsContact O-CB 3.23Å; P170-A173 WeakPolarHBondContact O-CB 3.37Å; P170-A173 PolarHBondContact O-N 2.84Å; P170-K174 PolarHBondContact O-N 3.05Å
171H89.4Confident92.8Very high156 Ų15654.1 Ų54.172%0.72229%0.293SS*.Hα-helixtrans-57.6-34.2-178.7-173.6-84.8000113.5A173 K174 A175H171-A173 VanDerWaalsContact C-N 3.31Å; H171-A173 PolarHBondContact O-N 3.19Å; H171-K174 WeakPolarHBondContact O-CB 3.4Å; H171-K174 PolarHBondContact O-N 3.34Å; H171-K174 VanDerWaalsContact O-N 3.16Å; H171-A175 PolarHBondContact O-N 3.09Å; H171-A175 VanDerWaalsContact O-N 3.09Å
172C90.1Very high92.8Very high54 Ų5457.9 Ų57.937%0.36531%0.313SS..Hα-helixtrans-64.5-33.9174.955.90000112.6P170 K174 A175 L176P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 WeakPolarHBondContact CG-SG 3.21Å; P170-C172 PolarHBondContact O-N 3.48Å; C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 3.01Å; C172-A175 PolarHBondContact O-N 3.42Å; C172-L176 PolarHBondContact O-N 3.49Å
173A93.8Very high92.8Very high0 Ų059 Ų590%031%0.311CS..Hα-helixtrans-63.5-38.4172.700000111.7S108 I168 P170 H171 L176 L177S108-A173 WeakPolarHBondContact OG-CB 3.47Å; I168-A173 HydrophobicContact CD1-CB 3.83Å; I168-A173 HydrophobicContact CG1-CB 3.82Å; P170-A173 VanDerWaalsContact O-CB 3.23Å; P170-A173 WeakPolarHBondContact O-CB 3.37Å; P170-A173 PolarHBondContact O-N 2.84Å; H171-A173 VanDerWaalsContact C-N 3.31Å; H171-A173 PolarHBondContact O-N 3.19Å; A173-L176 PolarHBondContact O-N 3.16Å; A173-L177 WeakPolarHBondContact O-CB 3.29Å; A173-L177 PolarHBondContact O-N 3.08Å
174K94.5Very high92.7Very high73 Ų7356 Ų5632%0.31730%0.298SS..Hα-helixtrans-63.6-42.1175.2-171.2171.2179162.60112.3K165 I168 P170 H171 C172 L177 N178K165-K174 WeakPolarHBondContact O-CE 3.4Å; K165-K174 PolarHBondContact O-NZ 3.32Å; K165-K174 VanDerWaalsContact O-NZ 3.14Å; I168-K174 HydrophobicContact CG2-CB 3.75Å; I168-K174 HydrophobicContact CG2-CG 3.99Å; P170-K174 PolarHBondContact O-N 3.05Å; H171-K174 WeakPolarHBondContact O-CB 3.4Å; H171-K174 PolarHBondContact O-N 3.34Å; H171-K174 VanDerWaalsContact O-N 3.16Å; C172-K174 VanDerWaalsContact C-N 3.31Å; C172-K174 PolarHBondContact O-N 3.01Å; K174-L177 PolarHBondContact O-N 3.4Å; K174-N178 PolarHBondContact O-N 3.27Å; K174-N178 PolarHBondContact O-ND2 2.78Å
175A92.9Very high92.5Very high54 Ų5462.1 Ų62.145%0.44632%0.324SS..Hα-helixtrans-62.3-46.8175.300000111.2H171 C172 L177 N178 Q179H171-A175 PolarHBondContact O-N 3.09Å; H171-A175 VanDerWaalsContact O-N 3.09Å; C172-A175 PolarHBondContact O-N 3.42Å; A175-L177 PolarHBondContact O-N 3.16Å; A175-N178 PolarHBondContact O-N 2.66Å; A175-Q179 PolarHBondContact O-N 3.34Å
176L94.2Very high92.3Very high23 Ų2362.7 Ų62.712%0.1233%0.33CS..Hα-helixtrans-59.8-45.8176179.360.2000111.8V104 L107 C172 A173 N178 Q179 L180V104-L176 HydrophobicContact CG1-CB 4.29Å; V104-L176 HydrophobicContact CG1-CD2 4.05Å; V104-L176 HydrophobicContact CG1-CG 4.1Å; L107-L176 HydrophobicContact CB-CD2 4.15Å; C172-L176 PolarHBondContact O-N 3.49Å; A173-L176 PolarHBondContact O-N 3.16Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 3.12Å; L176-Q179 PolarHBondContact O-N 3.11Å; L176-L180 HydrophobicContact CD1-CD1 4.02Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD1 3.87Å; L176-L180 HydrophobicContact CG-CG 4.38Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 2.92Å
177L96.1Very high91.9Very high0 Ų061.8 Ų61.80%032%0.317CS..Hα-helixtrans-58.2-45.4176.7179.360.3000111.5L100 V104 A164 K165 I168 A173 K174 A175 Q179 L180 I181L100-L177 HydrophobicContact CD1-CD1 4.45Å; L100-L177 HydrophobicContact CD2-CD1 4.23Å; L100-L177 HydrophobicContact CG-CD1 4.35Å; V104-L177 HydrophobicContact CG1-CB 4.07Å; V104-L177 HydrophobicContact CG2-CD1 4.42Å; A164-L177 HydrophobicContact CB-CD2 4.35Å; K165-L177 HydrophobicContact CG-CD2 4.2Å; I168-L177 HydrophobicContact CD1-CB 4.05Å; I168-L177 HydrophobicContact CD1-CD2 3.98Å; I168-L177 HydrophobicContact CG2-CD2 4.15Å; A173-L177 WeakPolarHBondContact O-CB 3.29Å; A173-L177 PolarHBondContact O-N 3.08Å; K174-L177 PolarHBondContact O-N 3.4Å; A175-L177 PolarHBondContact O-N 3.16Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 3.12Å; L177-L180 PolarHBondContact O-N 3.41Å; L177-I181 HydrophobicContact CD1-CD1 4.07Å; L177-I181 HydrophobicContact CD1-CG1 4.28Å; L177-I181 HydrophobicContact CG-CD1 3.87Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 WeakPolarHBondContact O-CG1 3.31Å; L177-I181 PolarHBondContact O-N 3.18Å
178N95.1Very high91.3Very high57 Ų5763.4 Ų63.431%0.30532%0.318SS..Hα-helixtrans-63-40.8178.7-75.5-33.3000112.3K165 K174 A175 L176 I181 I182K165-N178 WeakPolarHBondContact CE-OD1 3.3Å; K174-N178 PolarHBondContact O-N 3.27Å; K174-N178 PolarHBondContact O-ND2 2.78Å; A175-N178 PolarHBondContact O-N 2.66Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-N178 PolarHBondContact O-N 3.12Å; N178-I181 PolarHBondContact O-N 2.71Å; N178-I182 WeakPolarHBondContact O-CG1 3.49Å; N178-I182 PolarHBondContact O-N 2.9Å; N178-I182 VanDerWaalsContact O-N 3.16Å
179Q94.8Very high90.3Very high113 Ų11369.8 Ų69.853%0.52835%0.347SS..Hα-helixtrans-60.9-49.9174.1-176.9-179.3-2.300111A175 L176 L177 I181 I182 D183A175-Q179 PolarHBondContact O-N 3.34Å; L176-Q179 PolarHBondContact O-N 3.11Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 3.12Å; Q179-I181 PolarHBondContact O-N 3.35Å; Q179-I182 WeakPolarHBondContact O-CB 3.25Å; Q179-I182 PolarHBondContact O-N 2.66Å; Q179-D183 PolarHBondContact O-N 3.07Å
180L95.6Very high89Confident8 Ų868 Ų684%0.04235%0.346CS..Hα-helixtrans-61.4-32.2179.8-67.7171.6000112.7V104 V145 I149 F150 I153 L176 L177 A184V104-L180 HydrophobicContact CG2-CD1 4.31Å; V145-L180 HydrophobicContact CG1-CD2 3.7Å; V145-L180 HydrophobicContact CG2-CD2 4.03Å; I149-L180 HydrophobicContact CD1-CD1 4.23Å; I149-L180 HydrophobicContact CG2-CB 4.5Å; I149-L180 HydrophobicContact CG2-CD1 3.94Å; F150-L180 HydrophobicContact CE1-CB 4.47Å; F150-L180 HydrophobicContact CE1-CD2 4.08Å; I153-L180 HydrophobicContact CD1-CB 3.92Å; L176-L180 HydrophobicContact CD1-CD1 4.02Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD1 3.87Å; L176-L180 HydrophobicContact CG-CG 4.38Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 2.92Å; L177-L180 PolarHBondContact O-N 3.41Å; L180-A184 VanDerWaalsContact O-CB 3.24Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 3.42Å
181I94.8Very high86.9Confident10 Ų1070.3 Ų70.35%0.05135%0.349CS..Hα-helixtrans-67.8-40.8173.9-69.9163.5000111.4I153 M161 L177 N178 Q179 K185I153-I181 HydrophobicContact CD1-CG1 4.13Å; I153-I181 HydrophobicContact CG1-CG1 4.44Å; I153-I181 HydrophobicContact CG2-CG1 4.27Å; M161-I181 HydrophobicContact CE-CD1 4.4Å; M161-I181 HydrophobicContact CE-CG1 4.43Å; M161-I181 HydrophobicContact CG-CD1 4.17Å; M161-I181 HydrophobicContact SD-CD1 3.37Å; M161-I181 WeakPolarHBondContact SD-CD1 3.27Å; M161-I181 HydrophobicContact SD-CG1 4.01Å; L177-I181 HydrophobicContact CD1-CD1 4.07Å; L177-I181 HydrophobicContact CD1-CG1 4.28Å; L177-I181 HydrophobicContact CG-CD1 3.87Å; L177-I181 WeakPolarHBondContact O-CD1 3.48Å; L177-I181 WeakPolarHBondContact O-CG1 3.31Å; L177-I181 PolarHBondContact O-N 3.18Å; N178-I181 PolarHBondContact O-N 2.71Å; Q179-I181 PolarHBondContact O-N 3.35Å; I181-K185 HydrophobicContact CG2-CD 4.49Å; I181-K185 WeakPolarHBondContact O-CG 3.27Å; I181-K185 PolarHBondContact O-N 3.4Å; I181-K185 VanDerWaalsContact O-N 3.11Å
182I93.3Very high84.4Confident100 Ų10072.2 Ų72.251%0.51336%0.358SS..Hα-helixtrans-64.3-47.8175.9-66.5164.1000109.1N178 Q179 A184 K185 I186N178-I182 WeakPolarHBondContact O-CG1 3.49Å; N178-I182 PolarHBondContact O-N 2.9Å; N178-I182 VanDerWaalsContact O-N 3.16Å; Q179-I182 WeakPolarHBondContact O-CB 3.25Å; Q179-I182 PolarHBondContact O-N 2.66Å; I182-A184 VanDerWaalsContact C-N 3.33Å; I182-A184 PolarHBondContact O-N 3.24Å; I182-K185 WeakPolarHBondContact O-CB 3.38Å; I182-K185 PolarHBondContact O-N 2.73Å; I182-K185 VanDerWaalsContact O-N 3.14Å; I182-I186 HydrophobicContact CG2-CD1 3.73Å; I182-I186 HydrophobicContact CG2-CG1 4.42Å; I182-I186 WeakPolarHBondContact O-CG1 3.29Å; I182-I186 PolarHBondContact O-N 3.3Å
183D92.7Very high81.7Confident53 Ų5371.6 Ų71.628%0.28336%0.361SS..Hα-helixtrans-60.3-41.7179.1-64.2-16.8000112.1F150 Q179 K185 R187F150-D183 HydrophobicContact CE1-CB 4.18Å; F150-D183 HydrophobicContact CZ-CB 4.05Å; Q179-D183 PolarHBondContact O-N 3.07Å; D183-K185 PolarHBondContact O-N 3.28Å; D183-R187 WeakPolarHBondContact O-CB 3.5Å; D183-R187 VanDerWaalsContact O-CG 3.3Å; D183-R187 WeakPolarHBondContact O-CG 3.41Å; D183-R187 PolarHBondContact O-N 3.09Å
184A90.8Very high79.1Confident4 Ų476.2 Ų76.23%0.03339%0.391CS..Hα-helixtrans-64.2-38.5176.800000112.3F150 I153 L180 I182 N188F150-A184 HydrophobicContact CD1-CB 3.83Å; F150-A184 HydrophobicContact CE1-CB 4.18Å; F150-A184 HydrophobicContact CG-CB 4.5Å; I153-A184 HydrophobicContact CB-CB 4.46Å; I153-A184 HydrophobicContact CD1-CB 4.44Å; I153-A184 HydrophobicContact CG2-CB 3.85Å; L180-A184 VanDerWaalsContact O-CB 3.24Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 3.42Å; I182-A184 VanDerWaalsContact C-N 3.33Å; I182-A184 PolarHBondContact O-N 3.24Å; A184-N188 PolarHBondContact O-N 2.99Å
185K89.1Confident76.6Confident128 Ų12879 Ų7956%0.55742%0.416SS*.Hα-helixtrans-66.6-48.8176.4-75.3177.2177.6-168.80112I181 I182 D183 R187 N188 E189I181-K185 HydrophobicContact CG2-CD 4.49Å; I181-K185 WeakPolarHBondContact O-CG 3.27Å; I181-K185 PolarHBondContact O-N 3.4Å; I181-K185 VanDerWaalsContact O-N 3.11Å; I182-K185 WeakPolarHBondContact O-CB 3.38Å; I182-K185 PolarHBondContact O-N 2.73Å; I182-K185 VanDerWaalsContact O-N 3.14Å; D183-K185 PolarHBondContact O-N 3.28Å; K185-R187 PolarHBondContact O-N 3.47Å; K185-N188 PolarHBondContact O-N 3.44Å; K185-N188 VanDerWaalsContact O-N 3.08Å; K185-E189 WeakPolarHBondContact O-CG 3.45Å; K185-E189 PolarHBondContact O-N 3.02Å
186I88.8Confident73.9Confident79 Ų7983.6 Ų83.641%0.40543%0.428SS..Hα-helixtrans-56.5-42.1177.4-66.4166.8000110I182 N190I182-I186 HydrophobicContact CG2-CD1 3.73Å; I182-I186 HydrophobicContact CG2-CG1 4.42Å; I182-I186 WeakPolarHBondContact O-CG1 3.29Å; I182-I186 PolarHBondContact O-N 3.3Å; I186-N190 WeakPolarHBondContact O-CB 3.49Å; I186-N190 PolarHBondContact O-N 3.43Å; I186-N190 PolarHBondContact O-ND2 2.91Å; I186-N190 VanDerWaalsContact O-ND2 3.17Å
187R83.3Confident71.3Confident108 Ų10887.3 Ų87.341%0.40845%0.447SS..Hα-helixtrans-65.6-40.7177.1-75.7171.6-179.1-114.28.1113.1H146 D183 K185 N190 F191H146-R187 PolarHBondContact CD2-NH1 3.44Å; H146-R187 PolarHBondContact NE2-NH1 3.16Å; H146-R187 PolarHBondContact NE2-NH2 3.37Å; D183-R187 WeakPolarHBondContact O-CB 3.5Å; D183-R187 VanDerWaalsContact O-CG 3.3Å; D183-R187 WeakPolarHBondContact O-CG 3.41Å; D183-R187 PolarHBondContact O-N 3.09Å; K185-R187 PolarHBondContact O-N 3.47Å; R187-N190 PolarHBondContact O-N 3.34Å; R187-F191 WeakPolarHBondContact O-CB 3.33Å; R187-F191 WeakPolarHBondContact O-CD2 3.23Å; R187-F191 PolarHBondContact O-N 3.49Å; R187-F191 VanDerWaalsContact O-N 3.11Å
188N75.7Confident68.7Low70 Ų7091.9 Ų91.937%0.37449%0.485SS..Hα-helixtrans-68.5-40.2177.9-75.1-14000112.2R154 A184 K185 N190 F191R154-N188 VanDerWaalsContact CD-ND2 3.27Å; R154-N188 WeakPolarHBondContact CD-ND2 3.24Å; R154-N188 WeakPolarHBondContact CD-OD1 3.4Å; R154-N188 PolarHBondContact NH1-OD1 3.24Å; A184-N188 PolarHBondContact O-N 2.99Å; K185-N188 PolarHBondContact O-N 3.44Å; K185-N188 VanDerWaalsContact O-N 3.08Å; N188-N190 VanDerWaalsContact C-N 3.28Å; N188-N190 PolarHBondContact O-N 2.99Å; N188-F191 CarbonylContact O-C 3.57Å; N188-F191 PolarHBondContact O-N 3.3Å
189E71.2Confident66.1Low144 Ų14496.9 Ų96.967%0.67351%0.507SS*.Hα-helixtrans-63.4-36.8175.1-71.6172-173.100111.3K185 F191K185-E189 WeakPolarHBondContact O-CG 3.45Å; K185-E189 PolarHBondContact O-N 3.02Å; E189-F191 PolarHBondContact O-N 3.07Å
190N62.3Low63.3Low128 Ų12898.8 Ų98.868%0.68451%0.514SS*.THydrogen-bonded Turntrans-74.5-12.4173.7-66.6-21.7000113.6I186 R187 N188 E192I186-N190 WeakPolarHBondContact O-CB 3.49Å; I186-N190 PolarHBondContact O-N 3.43Å; I186-N190 PolarHBondContact O-ND2 2.91Å; I186-N190 VanDerWaalsContact O-ND2 3.17Å; R187-N190 PolarHBondContact O-N 3.34Å; N188-N190 VanDerWaalsContact C-N 3.28Å; N188-N190 PolarHBondContact O-N 2.99Å; N190-E192 PolarHBondContact O-N 3.33Å
191F47Very low60.8Low115 Ų115104 Ų10450%0.50454%0.54SS..  trans-98.659.3178.8-103.8-87.4000110.7R187 N188 E189 G193 I197R187-F191 WeakPolarHBondContact O-CB 3.33Å; R187-F191 WeakPolarHBondContact O-CD2 3.23Å; R187-F191 PolarHBondContact O-N 3.49Å; R187-F191 VanDerWaalsContact O-N 3.11Å; N188-F191 CarbonylContact O-C 3.57Å; N188-F191 PolarHBondContact O-N 3.3Å; E189-F191 PolarHBondContact O-N 3.07Å; F191-G193 PolarHBondContact O-N 3.25Å; F191-G193 VanDerWaalsContact O-N 3.11Å; F191-I197 HydrophobicContact CD1-CD1 3.99Å; F191-I197 HydrophobicContact CE1-CD1 3.27Å; F191-I197 HydrophobicContact CE1-CG1 3.69Å; F191-I197 HydrophobicContact CE2-CD1 3.98Å; F191-I197 HydrophobicContact CZ-CD1 3.26Å; F191-I197 HydrophobicContact CZ-CG1 4.01Å
192E35.8Very low58.1Low196 Ų196108.9 Ų108.992%0.91657%0.567SS**  trans-7522.3165.5-77-164.7152.800113.3N190N190-E192 PolarHBondContact O-N 3.33Å
193G34.9Very low55.6Low40 Ų40110.9 Ų110.941%0.41258%0.577SS.*SBendtrans-104.3144.6173.900000111.4F191F191-G193 PolarHBondContact O-N 3.25Å; F191-G193 VanDerWaalsContact O-N 3.11Å
194P37.7Very low53.1Low98 Ų98114.4 Ų114.464%0.63660%0.6SS**  trans-55.1145.6177.624.4-32.3000110.1Q196P194-Q196 VanDerWaalsContact C-N 3.32Å; P194-Q196 PolarHBondContact O-N 3.48Å
195P42.7Very low50.6Low130 Ų130124.2 Ų124.284%0.84464%0.636SS**  trans-65.885.5-166.426.2-34.4000111.5
196Q36.8Very low48.4Very low151 Ų151122.9 Ų122.971%0.70664%0.641SS**  trans-9511.4177.8-73.8-173.4-0.600113P194 A198 Q199P194-Q196 VanDerWaalsContact C-N 3.32Å; P194-Q196 PolarHBondContact O-N 3.48Å; Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.48Å; Q196-Q199 WeakPolarHBondContact O-CG 3.36Å; Q196-Q199 PolarHBondContact O-N 3.39Å
197I39.5Very low46.2Very low101 Ų101124.2 Ų124.252%0.51865%0.654SS.*  trans-94.124.6-178.3-26.6174.3000113.6F191 Q199F191-I197 HydrophobicContact CD1-CD1 3.99Å; F191-I197 HydrophobicContact CE1-CD1 3.27Å; F191-I197 HydrophobicContact CE1-CG1 3.69Å; F191-I197 HydrophobicContact CE2-CD1 3.98Å; F191-I197 HydrophobicContact CZ-CD1 3.26Å; F191-I197 HydrophobicContact CZ-CG1 4.01Å; I197-Q199 PolarHBondContact O-N 3.46Å
198A40.8Very low44.2Very low97 Ų97123.8 Ų123.880%0.80267%0.674SS**  trans-83.454.1138.200000107.5Q196 K200Q196-A198 VanDerWaalsContact C-N 3.33Å; Q196-A198 PolarHBondContact O-N 3.48Å; A198-K200 PolarHBondContact O-N 3.35Å
199Q39.7Very low42.6Very low161 Ų161127.1 Ų127.175%0.75270%0.697SS**  trans-65.383.7166.1-84.2-170.9-600106.5Q196 I197 L201Q196-Q199 WeakPolarHBondContact O-CG 3.36Å; Q196-Q199 PolarHBondContact O-N 3.39Å; I197-Q199 PolarHBondContact O-N 3.46Å; Q199-L201 VanDerWaalsContact C-N 3.3Å; Q199-L201 PolarHBondContact O-N 2.94Å
200K37.5Very low41Very low154 Ų154122.8 Ų122.867%0.6769%0.69SS**  trans35.861.1133.5-144.7178.2-174.8-99.50112.5A198 D202A198-K200 PolarHBondContact O-N 3.35Å; K200-D202 WeakPolarHBondContact CE-OD1 3.49Å; K200-D202 WeakPolarHBondContact CG-OD1 3.44Å; K200-D202 VanDerWaalsContact NZ-CG 3.31Å; K200-D202 IonicContact NZ-OD1 3.4Å; K200-D202 PolarHBondContact NZ-OD1 3.43Å; K200-D202 IonicContact NZ-OD2 3.97Å; K200-D202 PolarHBondContact NZ-OD2 2.98Å; K200-D202 VanDerWaalsContact NZ-OD2 3.1Å; K200-D202 PolarHBondContact O-N 3.22Å
201L42Very low39.7Very low116 Ų116119 Ų11961%0.60768%0.682SS**  trans-59.394.4140.5-77.2170.5000103.1R76 Q199 I203R76-L201 HydrophobicContact CG-CD1 3.88Å; Q199-L201 VanDerWaalsContact C-N 3.3Å; Q199-L201 PolarHBondContact O-N 2.94Å; L201-I203 VanDerWaalsContact O-CG1 3.22Å; L201-I203 WeakPolarHBondContact O-CG1 3.12Å; L201-I203 PolarHBondContact O-N 3.1Å
202D38Very low39.4Very low113 Ų113119.7 Ų119.760%0.60469%0.69SS**  trans-49.9105.1-171.6-112.6-33.1000107.7K200 V204K200-D202 WeakPolarHBondContact CE-OD1 3.49Å; K200-D202 WeakPolarHBondContact CG-OD1 3.44Å; K200-D202 VanDerWaalsContact NZ-CG 3.31Å; K200-D202 IonicContact NZ-OD1 3.4Å; K200-D202 PolarHBondContact NZ-OD1 3.43Å; K200-D202 IonicContact NZ-OD2 3.97Å; K200-D202 PolarHBondContact NZ-OD2 2.98Å; K200-D202 VanDerWaalsContact NZ-OD2 3.1Å; K200-D202 PolarHBondContact O-N 3.22Å; D202-V204 PolarHBondContact O-N 2.97Å
203I41.3Very low39.8Very low143 Ų143116.5 Ų116.573%0.73368%0.675SS**  trans-75.482-177.7-54.4176.1000103.9L201 R205L201-I203 VanDerWaalsContact O-CG1 3.22Å; L201-I203 WeakPolarHBondContact O-CG1 3.12Å; L201-I203 PolarHBondContact O-N 3.1Å; I203-R205 HydrophobicContact CG2-CG 4.04Å; I203-R205 PolarHBondContact O-N 3.03Å
204V41.2Very low40.4Very low126 Ų126119.3 Ų119.376%0.76468%0.684SS**  trans-63.492146-177.80000103.3D202 P206D202-V204 PolarHBondContact O-N 2.97Å; V204-P206 VanDerWaalsContact O-CD 3.23Å; V204-P206 WeakPolarHBondContact O-CD 3.24Å
205R38.2Very low40.9Very low211 Ų211117.2 Ų117.280%0.79668%0.675SS**  trans-44.3116166.4-102.1-179.3177.8164.3-0.5104.1I203 P207I203-R205 HydrophobicContact CG2-CG 4.04Å; I203-R205 PolarHBondContact O-N 3.03Å; R205-P207 VanDerWaalsContact O-N 3.09Å
206P42.4Very low41.1Very low100 Ų100116.7 Ų116.765%0.64966%0.661SS**  trans-51.7128167.1-17.628.7000104.6V204 A208V204-P206 VanDerWaalsContact O-CD 3.23Å; V204-P206 WeakPolarHBondContact O-CD 3.24Å; P206-A208 PolarHBondContact O-N 3.28Å
207P43Very low41.6Very low106 Ų106117.2 Ų117.269%0.68866%0.661SS**  trans-50.5124.217720.6-30.4000105.4R205 V209R205-P207 VanDerWaalsContact O-N 3.09Å; P207-V209 WeakPolarHBondContact O-CG2 3.44Å; P207-V209 PolarHBondContact O-N 3.16Å
208A40.6Very low42.1Very low99 Ų99118 Ų11882%0.81867%0.666SS**  trans-53.7101.5176.500000105.4P206 G210P206-A208 PolarHBondContact O-N 3.28Å; A208-G210 PolarHBondContact O-N 3.05Å
209V42.6Very low42.6Very low140 Ų140116.9 Ų116.985%0.84865%0.652SS**  trans-6993.9175.5-1770000102.8P207 G211P207-V209 WeakPolarHBondContact O-CG2 3.44Å; P207-V209 PolarHBondContact O-N 3.16Å; V209-G211 PolarHBondContact O-N 2.85Å
210G36.2Very low43.3Very low53 Ų53115.8 Ų115.855%0.54665%0.651SS.*  trans-62.877.1-176.700000110.3A208A208-G210 PolarHBondContact O-N 3.05Å
211G36.7Very low44Very low50 Ų50117 Ų11752%0.51566%0.656SS.*THydrogen-bonded Turntrans-80-0.8166.600000112.5V209 H213 V214V209-G211 PolarHBondContact O-N 2.85Å; G211-H213 PolarHBondContact O-N 2.63Å; G211-H213 VanDerWaalsContact O-N 3.16Å; G211-V214 WeakPolarHBondContact O-CG2 3.11Å; G211-V214 PolarHBondContact O-N 3.15Å
212L40.4Very low44.3Very low128 Ų128122.3 Ų122.367%0.6767%0.668SS**THydrogen-bonded Turntrans-75.88.9176-135.379.6000113.8V214 A215L212-V214 PolarHBondContact O-N 2.94Å; L212-A215 HydrophobicContact CG-CB 4.12Å; L212-A215 PolarHBondContact O-N 2.77Å
213H44Very low44.5Very low130 Ų130126.2 Ų126.260%0.60268%0.679SS**Hα-helixtrans-68.8-11.1160.5-77.6108.4000112.9G211 K217G211-H213 PolarHBondContact O-N 2.63Å; G211-H213 VanDerWaalsContact O-N 3.16Å; H213-K217 PolarHBondContact O-N 2.85Å
214V48.3Very low44.5Very low99 Ų99134.1 Ų134.160%0.670%0.7SS**Hα-helixtrans-73.7-34.9172.4-1780000111.1G211 L212 L218G211-V214 WeakPolarHBondContact O-CG2 3.11Å; G211-V214 PolarHBondContact O-N 3.15Å; L212-V214 PolarHBondContact O-N 2.94Å; V214-L218 HydrophobicContact CG1-CD1 4.17Å; V214-L218 WeakPolarHBondContact O-CG 3.18Å; V214-L218 PolarHBondContact O-N 3.25Å
215A47.6Very low44.7Very low53 Ų53134.5 Ų134.544%0.43870%0.697SS.*Hα-helixtrans-70.1-37.5177.100000111.8L212 L218 S219L212-A215 HydrophobicContact CG-CB 4.12Å; L212-A215 PolarHBondContact O-N 2.77Å; A215-L218 PolarHBondContact O-N 2.71Å; A215-S219 PolarHBondContact O-N 3.25Å
216E47.2Very low45Very low120 Ų120130.5 Ų130.556%0.56169%0.692SS**Hα-helixtrans-74.3-31.9179.1-144.2171.9-159.300112.7L218 S219 L220E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.86Å; E216-S219 PolarHBondContact O-N 3.15Å; E216-S219 PolarHBondContact O-OG 2.76Å; E216-L220 PolarHBondContact O-N 2.85Å
217K47.5Very low45.2Very low162 Ų162132.2 Ų132.270%0.70469%0.694SS**Hα-helixtrans-71.3-23.4170.3-79.7-169.6176.2-177.20113.6H213H213-K217 PolarHBondContact O-N 2.85Å
218L49.1Very low45.3Very low117 Ų117133.7 Ų133.761%0.61369%0.694SS**Hα-helixtrans-83.9-28.1174.8-73.1170000112.7V214 A215 E216V214-L218 HydrophobicContact CG1-CD1 4.17Å; V214-L218 WeakPolarHBondContact O-CG 3.18Å; V214-L218 PolarHBondContact O-N 3.25Å; A215-L218 PolarHBondContact O-N 2.71Å; E216-L218 VanDerWaalsContact C-N 3.31Å; E216-L218 PolarHBondContact O-N 2.86Å
219S51.4Low45.6Very low74 Ų74135.9 Ų135.952%0.51769%0.687SS.*Hα-helixtrans-73.5-32.2175.6670000112.7A215 E216 K221 R222A215-S219 PolarHBondContact O-N 3.25Å; E216-S219 PolarHBondContact O-N 3.15Å; E216-S219 PolarHBondContact O-OG 2.76Å; S219-K221 VanDerWaalsContact C-N 3.25Å; S219-K221 PolarHBondContact O-N 2.82Å; S219-R222 PolarHBondContact O-N 3.06Å
220L55Low45.8Very low137 Ų137135.6 Ų135.672%0.71768%0.676SS**G310 helixtrans-69.2-17.9176.1-81163.8000114.1E216E216-L220 PolarHBondContact O-N 2.85Å
221K51.2Low46.5Very low181 Ų181141.5 Ų141.579%0.78769%0.685SS**G310 helixtrans-84.9-2.8176.1-81.3-165.9174.7-173.80114.8S219S219-K221 VanDerWaalsContact C-N 3.25Å; S219-K221 PolarHBondContact O-N 2.82Å
222R48.9Very low47.3Very low227 Ų227148.5 Ų148.586%0.85770%0.698SS**G310 helixtrans-10612.6177.3-86.8-172.8176.9175.5-0.2115.1S219S219-R222 PolarHBondContact O-N 3.06Å
223K42.3Very low47.8Very low194 Ų194150.3 Ų150.384%0.84370%0.7SS**  trans-119.471167.2-75.4-171.2177-177.60111.1
224R41.6Very low48.2Very low309 Ų309152.1 Ų152.1100%1.16671%0.709SS**  trans-145.40151.5-82.3-167.8-179.9-177.5-1.1106.7

Retrieved 224 of 224 residues in 246.1 ms (Link to these results)

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