A0A096M698_POEFO Loading...

Speriolin C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M698, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 166 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
1L38.2Very low38Very low234 Ų234145.5 Ų145.5100%1.22580%0.8SS**  0116.70-83.3157.8000107.9
2L43.4Very low38.6Very low161 Ų161142.5 Ų142.584%0.84380%0.797SS**  trans-63.1138.8-177.4-69.6133.2000111.2
3S33.9Very low39.6Very low111 Ų111137.3 Ų137.378%0.77676%0.761SS**  trans-146.488.2146.2-170.50000108.8S5S3-S5 PolarHBondContact O-N 2.96Å
4T42.4Very low41.2Very low119 Ų119133.1 Ų133.173%0.7375%0.746SS**  trans-69116.215943.90000108.1
5S37Very low42.7Very low96 Ų96125 Ų12567%0.67170%0.704SS**  trans-116.18116043.80000108.4S3 H7S3-S5 PolarHBondContact O-N 2.96Å; S5-H7 VanDerWaalsContact C-N 3.32Å; S5-H7 PolarHBondContact O-N 3.5Å
6S39.4Very low45.4Very low112 Ų112122.7 Ų122.778%0.78369%0.686SS**  trans-6192.7163.350.30000109S8S6-S8 PolarHBondContact O-N 2.86Å
7H38.2Very low48.1Very low182 Ų182118.9 Ų118.984%0.84367%0.668SS**  trans-70.4101.1161.5-98.461.6000107.7S5 S9S5-H7 VanDerWaalsContact C-N 3.32Å; S5-H7 PolarHBondContact O-N 3.5Å; H7-S9 PolarHBondContact O-N 2.94Å
8S36.6Very low50.7Low99 Ų99116.3 Ų116.369%0.69265%0.646SS**  trans-42.9111.6165166.50000109.2S6 K10S6-S8 PolarHBondContact O-N 2.86Å; S8-K10 VanDerWaalsContact C-N 3.35Å; S8-K10 PolarHBondContact O-N 3.07Å
9S34.8Very low53Low80 Ų80110.2 Ų110.256%0.55961%0.612SS**  trans-62.6102.6164.755.80000106.8H7 Y11H7-S9 PolarHBondContact O-N 2.94Å; S9-Y11 PolarHBondContact O-N 2.81Å
10K37.6Very low55.3Low197 Ų197104.7 Ų104.786%0.85758%0.581SS**  trans-60.195.1160-77.5-179.3177.9176.80105.7S8 S12S8-K10 VanDerWaalsContact C-N 3.35Å; S8-K10 PolarHBondContact O-N 3.07Å; K10-S12 VanDerWaalsContact C-N 3.34Å; K10-S12 PolarHBondContact O-N 3.06Å
11Y37Very low57.3Low209 Ų20999.7 Ų99.782%0.8255%0.553SS**  trans-54.1104.3168.1-82.7-90.1000106.8S9 F13S9-Y11 PolarHBondContact O-N 2.81Å; Y11-F13 PolarHBondContact O-N 3.22Å
12S44.2Very low60.1Low110 Ų11088.5 Ų88.577%0.76950%0.495SS*.  trans-64.1101.6171.757.80000106.5K10 S14K10-S12 VanDerWaalsContact C-N 3.34Å; K10-S12 PolarHBondContact O-N 3.06Å; S12-S14 PolarHBondContact O-N 3.24Å; S12-S14 VanDerWaalsContact O-N 3.15Å
13F52.4Low62.6Low75 Ų7580.9 Ų80.933%0.32946%0.455SS..  trans-57.8119.8172.8-177-87.2000108.4Y11 G15 F128 K131 M132 N135 I136Y11-F13 PolarHBondContact O-N 3.22Å; F13-G15 VanDerWaalsContact C-N 3.26Å; F13-G15 PolarHBondContact O-N 2.95Å; F13-F128 HydrophobicContact CE2-CE2 4.46Å; F13-F128 HydrophobicContact CZ-CD2 4.34Å; F13-F128 AromaticContact CZ-CE2 3.99Å; F13-F128 HydrophobicContact CZ-CE2 3.99Å; F13-F128 HydrophobicContact CZ-CZ 4.32Å; F13-K131 HydrophobicContact CE2-CB 3.89Å; F13-K131 HydrophobicContact CZ-CB 4.19Å; F13-M132 HydrophobicContact CE1-CB 3.46Å; F13-M132 VanDerWaalsContact CE1-CB 3.46Å; F13-M132 HydrophobicContact CE1-CG 3.67Å; F13-M132 HydrophobicContact CZ-CB 3.57Å; F13-M132 HydrophobicContact CZ-CG 4.27Å; F13-N135 HydrophobicContact CD1-CB 4.2Å; F13-N135 HydrophobicContact CG-CB 4.32Å; F13-I136 HydrophobicContact CD1-CD1 4.34Å; F13-I136 HydrophobicContact CE1-CD1 4.43Å
14S61.4Low65.7Low79 Ų7975.6 Ų75.655%0.55242%0.418SS*.  trans-81.210.2-165.355.60000115.1S12 H16S12-S14 PolarHBondContact O-N 3.24Å; S12-S14 VanDerWaalsContact O-N 3.15Å; S14-H16 PolarHBondContact O-N 2.83Å
15G64.4Low68.3Low11 Ų1173.9 Ų73.911%0.11340%0.399CS..  trans-65.2130.6-179.100000111.8F13 I136F13-G15 VanDerWaalsContact C-N 3.26Å; F13-G15 PolarHBondContact O-N 2.95Å; G15-I136 VanDerWaalsContact C-CD1 3.46Å; G15-I136 WeakPolarHBondContact O-CD1 3.17Å
16H86.3Confident71.1Confident88 Ų8869.6 Ų69.641%0.40737%0.368SS..  trans-82.7129.3172.8-168.8-31.6000109.1S14 R18 L19S14-H16 PolarHBondContact O-N 2.83Å; H16-R18 VanDerWaalsContact CE1-CD 3.44Å; H16-R18 WeakPolarHBondContact CE1-CD 3.4Å; H16-R18 PolarHBondContact ND1-N 3.15Å; H16-R18 PolarHBondContact O-N 2.92Å; H16-L19 VanDerWaalsContact O-CB 3.27Å; H16-L19 WeakPolarHBondContact O-CB 3.32Å; H16-L19 WeakPolarHBondContact O-CG 3.44Å; H16-L19 PolarHBondContact O-N 2.9Å
17P91.2Very high73.9Confident59 Ų5964.2 Ų64.238%0.38333%0.331SS..THydrogen-bonded Turntrans-54.2-27179.1-30.134.4000115.8L19 L20 Y106 I136P17-L19 PolarHBondContact O-N 3.42Å; P17-L20 WeakPolarHBondContact O-CB 3.27Å; P17-L20 PolarHBondContact O-N 3.34Å; P17-L20 VanDerWaalsContact O-N 3.08Å; P17-Y106 HydrophobicContact CB-CD1 4.17Å; P17-I136 HydrophobicContact CB-CG2 4.14Å; P17-I136 HydrophobicContact CG-CG2 4.02Å
18R94.6Very high76.7Confident71 Ų7157 Ų5727%0.26830%0.298SS..Hα-helixtrans-61.1-18.9173.7-77.7176179.3-84.3-10.7113.3H16 L20 G21 E22 Y106 I108 L109H16-R18 VanDerWaalsContact CE1-CD 3.44Å; H16-R18 WeakPolarHBondContact CE1-CD 3.4Å; H16-R18 PolarHBondContact ND1-N 3.15Å; H16-R18 PolarHBondContact O-N 2.92Å; R18-L20 PolarHBondContact O-N 3.45Å; R18-G21 PolarHBondContact O-N 2.91Å; R18-E22 WeakPolarHBondContact O-CB 3.5Å; R18-E22 PolarHBondContact O-N 2.72Å; R18-Y106 VanDerWaalsContact CG-O 3.26Å; R18-Y106 WeakPolarHBondContact CG-O 3.32Å; R18-I108 VanDerWaalsContact CD-O 3.32Å; R18-I108 WeakPolarHBondContact CD-O 3.37Å; R18-I108 PolarHBondContact NH1-O 3.31Å; R18-L109 HydrophobicContact CB-CD2 3.9Å; R18-L109 HydrophobicContact CB-CG 4.5Å
19L95.1Very high79.5Confident0 Ų056.5 Ų56.50%028%0.281CS..Hα-helixtrans-63.8-28.2173.2-73169.2000112.5H16 P17 E22 I23 L109 Y123 F128 M132 L164H16-L19 VanDerWaalsContact O-CB 3.27Å; H16-L19 WeakPolarHBondContact O-CB 3.32Å; H16-L19 WeakPolarHBondContact O-CG 3.44Å; H16-L19 PolarHBondContact O-N 2.9Å; P17-L19 PolarHBondContact O-N 3.42Å; L19-E22 PolarHBondContact O-N 2.84Å; L19-I23 WeakPolarHBondContact O-CB 3.14Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.22Å; L19-I23 PolarHBondContact O-N 3.17Å; L19-L109 HydrophobicContact CD2-CD1 3.82Å; L19-L109 HydrophobicContact CD2-CD2 4.41Å; L19-L109 HydrophobicContact CD2-CG 4.38Å; L19-Y123 HydrophobicContact CD1-CD1 4.01Å; L19-Y123 HydrophobicContact CD1-CE1 3.7Å; L19-Y123 HydrophobicContact CD2-CD1 4.13Å; L19-Y123 HydrophobicContact CD2-CD2 3.77Å; L19-Y123 HydrophobicContact CD2-CE1 4.27Å; L19-Y123 HydrophobicContact CD2-CE2 3.93Å; L19-Y123 HydrophobicContact CD2-CG 3.9Å; L19-Y123 HydrophobicContact CG-CE1 4.47Å; L19-F128 HydrophobicContact CD1-CE1 4.22Å; L19-M132 HydrophobicContact CB-CE 3.33Å; L19-M132 HydrophobicContact CB-SD 4.03Å; L19-M132 HydrophobicContact CD1-CE 4.08Å; L19-M132 HydrophobicContact CD1-CG 4.23Å; L19-M132 HydrophobicContact CD1-SD 4.49Å; L19-M132 HydrophobicContact CG-CE 4.33Å; L19-L164 HydrophobicContact CD2-CD1 3.83Å
20L97.2Very high82.4Confident0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-63.5-48.3174.1-58.9178.4000110.3P17 R18 I23 A24 I102 Y106 M132 I133 I136 A137 M145P17-L20 WeakPolarHBondContact O-CB 3.27Å; P17-L20 PolarHBondContact O-N 3.34Å; P17-L20 VanDerWaalsContact O-N 3.08Å; R18-L20 PolarHBondContact O-N 3.45Å; L20-I23 PolarHBondContact O-N 3.48Å; L20-A24 PolarHBondContact O-N 3.44Å; L20-I102 VanDerWaalsContact C-CG2 3.49Å; L20-I102 HydrophobicContact CB-CG2 4.08Å; L20-I102 VanDerWaalsContact O-CG2 3.3Å; L20-I102 WeakPolarHBondContact O-CG2 3.45Å; L20-Y106 HydrophobicContact CB-CD2 4.35Å; L20-Y106 HydrophobicContact CB-CG 4.21Å; L20-Y106 HydrophobicContact CD1-CD1 3.93Å; L20-Y106 HydrophobicContact CD1-CD2 4.42Å; L20-Y106 HydrophobicContact CD1-CE1 3.75Å; L20-Y106 HydrophobicContact CD1-CE2 4.28Å; L20-Y106 HydrophobicContact CD1-CG 4.27Å; L20-M132 HydrophobicContact CD2-CE 4.08Å; L20-M132 HydrophobicContact CD2-SD 3.83Å; L20-M132 HydrophobicContact CG-SD 4.31Å; L20-I133 HydrophobicContact CD2-CG1 3.81Å; L20-I136 HydrophobicContact CD1-CG2 4.28Å; L20-A137 HydrophobicContact CD1-CB 3.97Å; L20-A137 HydrophobicContact CD2-CB 4.16Å; L20-M145 HydrophobicContact CB-CE 4.14Å; L20-M145 HydrophobicContact CD2-CE 3.99Å
21G97.3Very high85.3Confident0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-62.6-41.8173.500000112.7R18 I23 A24 Y25 V103 G107R18-G21 PolarHBondContact O-N 2.91Å; G21-I23 PolarHBondContact O-N 2.93Å; G21-A24 PolarHBondContact O-N 2.93Å; G21-Y25 VanDerWaalsContact O-CB 3.27Å; G21-Y25 WeakPolarHBondContact O-CB 3.39Å; G21-Y25 PolarHBondContact O-N 2.95Å; G21-V103 WeakPolarHBondContact O-CG2 3.46Å; G21-G107 WeakPolarHBondContact CA-O 3.23Å
22E96.9Very high88.1Confident0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-62-44.5177.8-168.564.9-145.700112.1R18 L19 A24 Y25 Q26 I108 L109 L164R18-E22 WeakPolarHBondContact O-CB 3.5Å; R18-E22 PolarHBondContact O-N 2.72Å; L19-E22 PolarHBondContact O-N 2.84Å; E22-A24 PolarHBondContact O-N 2.95Å; E22-Y25 PolarHBondContact O-N 3.15Å; E22-Q26 HydrophobicContact CG-CG 4.23Å; E22-Q26 VanDerWaalsContact O-CB 3.32Å; E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 WeakPolarHBondContact O-CG 3.36Å; E22-Q26 PolarHBondContact O-N 2.87Å; E22-Q26 PolarHBondContact OE1-NE2 3.08Å; E22-I108 WeakPolarHBondContact OE2-CB 3.35Å; E22-L109 HydrophobicContact CB-CD1 4.39Å; E22-L109 HydrophobicContact CB-CG 4.16Å; E22-L109 HydrophobicContact CG-CD1 4Å; E22-L109 HydrophobicContact CG-CG 4.17Å; E22-L109 PolarHBondContact OE2-N 3.08Å; E22-L164 HydrophobicContact CG-CD1 3.94Å; E22-L164 HydrophobicContact CG-CD2 4.01Å; E22-L164 HydrophobicContact CG-CG 4.44Å
23I97.8Very high90.5Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-58.7-48.5177.1-72.6164.2000110.8L19 L20 G21 Q26 L27 L129 M132 I133 M145 V148 L149 L152L19-I23 WeakPolarHBondContact O-CB 3.14Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.22Å; L19-I23 PolarHBondContact O-N 3.17Å; L20-I23 PolarHBondContact O-N 3.48Å; G21-I23 PolarHBondContact O-N 2.93Å; I23-Q26 PolarHBondContact O-N 3.48Å; I23-L27 PolarHBondContact O-N 3.02Å; I23-L27 VanDerWaalsContact O-N 3.11Å; I23-L129 HydrophobicContact CD1-CB 4.42Å; I23-L129 HydrophobicContact CD1-CD1 4.39Å; I23-L129 HydrophobicContact CD1-CD2 4.31Å; I23-M132 HydrophobicContact CD1-CE 3.77Å; I23-I133 HydrophobicContact CD1-CD1 4.12Å; I23-I133 HydrophobicContact CD1-CG1 4.44Å; I23-M145 HydrophobicContact CB-CE 4.33Å; I23-M145 HydrophobicContact CG2-CE 4.18Å; I23-V148 HydrophobicContact CG2-CG1 3.84Å; I23-L149 HydrophobicContact CD1-CD1 4.42Å; I23-L149 HydrophobicContact CG2-CB 4.3Å; I23-L149 HydrophobicContact CG2-CD1 4.46Å; I23-L152 HydrophobicContact CG2-CD2 4.16Å
24A98.1Very high92.6Very high0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-61.7-47.8178.400000111.7L20 G21 E22 Q26 L27 D28 C99 I102 V103L20-A24 PolarHBondContact O-N 3.44Å; G21-A24 PolarHBondContact O-N 2.93Å; E22-A24 PolarHBondContact O-N 2.95Å; A24-Q26 PolarHBondContact O-N 3.31Å; A24-L27 PolarHBondContact O-N 3.41Å; A24-D28 PolarHBondContact O-N 3.35Å; A24-D28 VanDerWaalsContact O-N 3.14Å; A24-C99 HydrophobicContact CB-CB 3.99Å; A24-I102 HydrophobicContact CB-CB 4.19Å; A24-I102 HydrophobicContact CB-CG2 3.96Å; A24-V103 HydrophobicContact CB-CG2 4Å
25Y96.9Very high94.3Very high83 Ų8326.7 Ų26.733%0.32513%0.127SC..Hα-helixtrans-58.7-44.8177.6173.8-105.8000112.4G21 E22 L27 D28 R29 I108G21-Y25 VanDerWaalsContact O-CB 3.27Å; G21-Y25 WeakPolarHBondContact O-CB 3.39Å; G21-Y25 PolarHBondContact O-N 2.95Å; E22-Y25 PolarHBondContact O-N 3.15Å; Y25-L27 VanDerWaalsContact C-N 3.35Å; Y25-L27 PolarHBondContact O-N 3.39Å; Y25-D28 PolarHBondContact O-N 2.8Å; Y25-R29 HydrophobicContact CD1-CG 4.28Å; Y25-R29 HydrophobicContact CD2-CG 4.06Å; Y25-R29 HydrophobicContact CE1-CG 3.86Å; Y25-R29 HydrophobicContact CE2-CG 3.6Å; Y25-R29 HydrophobicContact CG-CG 4.37Å; Y25-R29 VanDerWaalsContact CZ-CG 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.14Å; Y25-R29 VanDerWaalsContact O-CG 3.27Å; Y25-R29 WeakPolarHBondContact O-CG 3.26Å; Y25-R29 PolarHBondContact O-N 2.98Å; Y25-I108 HydrophobicContact CD1-CG2 4.26Å; Y25-I108 HydrophobicContact CD2-CG2 4.31Å; Y25-I108 HydrophobicContact CG-CG2 3.83Å
26Q96.9Very high95.7Very high6 Ų626.2 Ų26.23%0.02812%0.122CC..Hα-helixtrans-64.7-38.4-180-71.4-71.8-19.700112.1E22 I23 A24 R30 L152 L164 A165E22-Q26 HydrophobicContact CG-CG 4.23Å; E22-Q26 VanDerWaalsContact O-CB 3.32Å; E22-Q26 WeakPolarHBondContact O-CB 3.44Å; E22-Q26 WeakPolarHBondContact O-CG 3.36Å; E22-Q26 PolarHBondContact O-N 2.87Å; E22-Q26 PolarHBondContact OE1-NE2 3.08Å; I23-Q26 PolarHBondContact O-N 3.48Å; A24-Q26 PolarHBondContact O-N 3.31Å; Q26-R30 WeakPolarHBondContact O-CB 3.03Å; Q26-R30 VanDerWaalsContact O-CG 3.3Å; Q26-R30 WeakPolarHBondContact O-CG 3.45Å; Q26-R30 PolarHBondContact O-N 3.49Å; Q26-L152 HydrophobicContact CB-CD1 3.93Å; Q26-L152 HydrophobicContact CB-CD2 3.99Å; Q26-L164 HydrophobicContact CG-CD2 4.02Å; Q26-A165 PolarHBondContact NE2-O 2.96Å; Q26-A165 VanDerWaalsContact OE1-N 3.17Å; Q26-A165 PolarHBondContact OE1-O 2.85Å; Q26-A165 VanDerWaalsContact OE1-O 3.05Å
27L98.3Very high95.8Very high0 Ų027.6 Ų27.60%013%0.128CC..Hα-helixtrans-61.4-52.3174.5178.459.9000110.9I23 A24 Y25 R29 R30 I31 Y90 V148 C151 L155I23-L27 PolarHBondContact O-N 3.02Å; I23-L27 VanDerWaalsContact O-N 3.11Å; A24-L27 PolarHBondContact O-N 3.41Å; Y25-L27 VanDerWaalsContact C-N 3.35Å; Y25-L27 PolarHBondContact O-N 3.39Å; L27-R29 VanDerWaalsContact C-N 3.35Å; L27-R29 PolarHBondContact O-N 3.47Å; L27-R30 PolarHBondContact O-N 3.36Å; L27-R30 VanDerWaalsContact O-N 3.14Å; L27-I31 HydrophobicContact CD1-CD1 3.89Å; L27-I31 HydrophobicContact CD1-CG1 4.18Å; L27-I31 HydrophobicContact CG-CD1 3.88Å; L27-I31 WeakPolarHBondContact O-CG1 3.41Å; L27-I31 PolarHBondContact O-N 2.96Å; L27-Y90 HydrophobicContact CD2-CD2 4.4Å; L27-Y90 HydrophobicContact CD2-CE2 3.83Å; L27-V148 HydrophobicContact CB-CG1 4.32Å; L27-V148 HydrophobicContact CD2-CB 4.24Å; L27-V148 HydrophobicContact CD2-CG1 3.7Å; L27-V148 HydrophobicContact CD2-CG2 4.31Å; L27-C151 HydrophobicContact CD1-CB 3.79Å; L27-C151 HydrophobicContact CD2-CB 3.91Å; L27-L155 HydrophobicContact CD1-CD1 3.79Å
28D96.8Very high95.5Very high29 Ų2928.4 Ų28.416%0.15514%0.139CC..Hα-helixtrans-59.1-47-178.3-73.86.8000111.4A24 Y25 R30 I31 L32 L47 C99A24-D28 PolarHBondContact O-N 3.35Å; A24-D28 VanDerWaalsContact O-N 3.14Å; Y25-D28 PolarHBondContact O-N 2.8Å; D28-R30 VanDerWaalsContact C-N 3.3Å; D28-R30 PolarHBondContact O-N 2.9Å; D28-I31 PolarHBondContact O-N 3.34Å; D28-L32 WeakPolarHBondContact O-CB 3.27Å; D28-L32 WeakPolarHBondContact O-CG 3.44Å; D28-L32 PolarHBondContact O-N 3.21Å; D28-L47 HydrophobicContact CB-CD1 4.37Å; D28-L47 HydrophobicContact CB-CD2 4.42Å; D28-L47 HydrophobicContact CB-CG 4.33Å; D28-L47 VanDerWaalsContact OD1-CD1 3.22Å; D28-L47 WeakPolarHBondContact OD1-CD1 3.39Å; D28-C99 WeakPolarHBondContact OD1-CB 3.43Å; D28-C99 PolarHBondContact OD1-SG 2.84Å
29R95.1Very high95Very high90 Ų9027.7 Ų27.734%0.3414%0.139SC..Hα-helixtrans-60-38.6177.5-73.1-62.7-58.4177.6-0.4112.4Y25 L27 S33Y25-R29 HydrophobicContact CD1-CG 4.28Å; Y25-R29 HydrophobicContact CD2-CG 4.06Å; Y25-R29 HydrophobicContact CE1-CG 3.86Å; Y25-R29 HydrophobicContact CE2-CG 3.6Å; Y25-R29 HydrophobicContact CG-CG 4.37Å; Y25-R29 VanDerWaalsContact CZ-CG 3.49Å; Y25-R29 WeakPolarHBondContact O-CB 3.14Å; Y25-R29 VanDerWaalsContact O-CG 3.27Å; Y25-R29 WeakPolarHBondContact O-CG 3.26Å; Y25-R29 PolarHBondContact O-N 2.98Å; L27-R29 VanDerWaalsContact C-N 3.35Å; L27-R29 PolarHBondContact O-N 3.47Å; R29-S33 VanDerWaalsContact O-CB 3.28Å; R29-S33 WeakPolarHBondContact O-CB 3.45Å; R29-S33 PolarHBondContact O-N 3.22Å; R29-S33 PolarHBondContact O-OG 3.38Å
30R95.9Very high94Very high15 Ų1536.1 Ų36.16%0.05718%0.179CC..Hα-helixtrans-70.8-40.9177.2-77.6-179-161.2-121.310.4112.9Q26 L27 D28 L32 S33 Y34 L152 L155 S156 D159 P162 L163Q26-R30 WeakPolarHBondContact O-CB 3.03Å; Q26-R30 VanDerWaalsContact O-CG 3.3Å; Q26-R30 WeakPolarHBondContact O-CG 3.45Å; Q26-R30 PolarHBondContact O-N 3.49Å; L27-R30 PolarHBondContact O-N 3.36Å; L27-R30 VanDerWaalsContact O-N 3.14Å; D28-R30 VanDerWaalsContact C-N 3.3Å; D28-R30 PolarHBondContact O-N 2.9Å; R30-L32 VanDerWaalsContact C-N 3.34Å; R30-S33 PolarHBondContact O-N 2.94Å; R30-Y34 VanDerWaalsContact O-CB 3.26Å; R30-Y34 WeakPolarHBondContact O-CB 3.35Å; R30-Y34 PolarHBondContact O-N 3.5Å; R30-L152 VanDerWaalsContact NE-CD1 3.33Å; R30-L155 HydrophobicContact CB-CD1 4Å; R30-S156 VanDerWaalsContact NH1-CA 3.28Å; R30-D159 IonicContact CZ-OD2 3.75Å; R30-D159 IonicContact NH1-OD1 3.54Å; R30-D159 PolarHBondContact NH1-OD1 3.36Å; R30-D159 IonicContact NH1-OD2 2.65Å; R30-D159 PolarHBondContact NH1-OD2 2.8Å; R30-P162 PolarHBondContact NH2-O 3.36Å; R30-L163 PolarHBondContact NH2-O 3.19Å
31I97.4Very high93.3Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-59.4-49.8175.3-68.3167.6000109.4L27 D28 S33 Y34 V35 L47 I50 L81 M82 L85 L155L27-I31 HydrophobicContact CD1-CD1 3.89Å; L27-I31 HydrophobicContact CD1-CG1 4.18Å; L27-I31 HydrophobicContact CG-CD1 3.88Å; L27-I31 WeakPolarHBondContact O-CG1 3.41Å; L27-I31 PolarHBondContact O-N 2.96Å; D28-I31 PolarHBondContact O-N 3.34Å; I31-S33 PolarHBondContact O-N 2.9Å; I31-Y34 PolarHBondContact O-N 3.41Å; I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.26Å; I31-V35 VanDerWaalsContact O-N 3.08Å; I31-L47 HydrophobicContact CB-CD2 3.82Å; I31-L47 HydrophobicContact CD1-CD1 3.78Å; I31-L47 HydrophobicContact CD1-CD2 4.49Å; I31-L47 HydrophobicContact CG2-CD2 3.6Å; I31-I50 HydrophobicContact CG2-CD1 3.99Å; I31-L81 HydrophobicContact CB-CD2 4.25Å; I31-L81 HydrophobicContact CG1-CD2 4.25Å; I31-L81 HydrophobicContact CG2-CD2 3.85Å; I31-M82 HydrophobicContact CD1-CE 4.38Å; I31-M82 HydrophobicContact CG2-CE 3.8Å; I31-L85 HydrophobicContact CD1-CD1 3.79Å; I31-L85 HydrophobicContact CG1-CD1 4.01Å; I31-L155 HydrophobicContact CG1-CD1 3.95Å
32L96.6Very high92.8Very high8 Ų845.9 Ų45.94%0.04222%0.216CC..Hα-helixtrans-58.8-47.8177.1-72.1175.4000112.2D28 R30 Y34 V35 F36 L42 F45 L47 I50D28-L32 WeakPolarHBondContact O-CB 3.27Å; D28-L32 WeakPolarHBondContact O-CG 3.44Å; D28-L32 PolarHBondContact O-N 3.21Å; R30-L32 VanDerWaalsContact C-N 3.34Å; L32-Y34 VanDerWaalsContact C-N 3.28Å; L32-Y34 PolarHBondContact O-N 2.89Å; L32-V35 PolarHBondContact O-N 3.44Å; L32-F36 HydrophobicContact CD2-CD2 4.45Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CD2 3.37Å; L32-F36 PolarHBondContact O-N 3.47Å; L32-L42 HydrophobicContact CB-CD1 3.94Å; L32-F45 HydrophobicContact CD1-CB 4.22Å; L32-F45 HydrophobicContact CD2-CB 3.95Å; L32-L47 HydrophobicContact CD2-CD2 4.07Å; L32-L47 HydrophobicContact CG-CD2 3.85Å; L32-I50 HydrophobicContact CD2-CD1 3.9Å; L32-I50 HydrophobicContact CD2-CG1 3.82Å
33S94.4Very high92.1Very high48 Ų4854.4 Ų54.434%0.33625%0.25SC..Hα-helixtrans-67-30.3-179.8-56.10000112.5R29 R30 I31 Q37R29-S33 VanDerWaalsContact O-CB 3.28Å; R29-S33 WeakPolarHBondContact O-CB 3.45Å; R29-S33 PolarHBondContact O-N 3.22Å; R29-S33 PolarHBondContact O-OG 3.38Å; R30-S33 PolarHBondContact O-N 2.94Å; I31-S33 PolarHBondContact O-N 2.9Å; S33-Q37 VanDerWaalsContact O-CG 3.29Å; S33-Q37 WeakPolarHBondContact O-CG 3.38Å; S33-Q37 PolarHBondContact O-N 2.88Å
34Y95.6Very high91.6Very high53 Ų5356.9 Ų56.921%0.20828%0.275CS..Hα-helixtrans-69-41.7175.5-178.4-86.2000111.4R30 I31 L32 Q37 R77 L81R30-Y34 VanDerWaalsContact O-CB 3.26Å; R30-Y34 WeakPolarHBondContact O-CB 3.35Å; R30-Y34 PolarHBondContact O-N 3.5Å; I31-Y34 PolarHBondContact O-N 3.41Å; L32-Y34 VanDerWaalsContact C-N 3.28Å; L32-Y34 PolarHBondContact O-N 2.89Å; Y34-Q37 WeakPolarHBondContact O-CG 3.27Å; Y34-R77 HydrophobicContact CE1-CB 4.3Å; Y34-R77 VanDerWaalsContact O-CZ 3.27Å; Y34-R77 PolarHBondContact O-NE 3.32Å; Y34-R77 PolarHBondContact O-NH2 3.24Å; Y34-L81 HydrophobicContact CD1-CB 3.98Å; Y34-L81 HydrophobicContact CD1-CD1 4.24Å; Y34-L81 HydrophobicContact CD1-CD2 3.57Å; Y34-L81 HydrophobicContact CD1-CG 4.14Å; Y34-L81 HydrophobicContact CE1-CB 3.84Å; Y34-L81 HydrophobicContact CE1-CD1 4.37Å; Y34-L81 HydrophobicContact CE1-CD2 4.29Å; Y34-L81 HydrophobicContact CE1-CG 4.39Å; Y34-L81 HydrophobicContact CG-CD1 4.44Å; Y34-L81 HydrophobicContact CG-CD2 3.98Å
35V96.7Very high91.4Very high0 Ų058.2 Ų58.20%028%0.281CS..Hα-helixtrans-71.1-54.7177.9178.60000109.6I31 L32 Q37 I50 I54 L74 F78 L81I31-V35 WeakPolarHBondContact O-CG2 3.46Å; I31-V35 PolarHBondContact O-N 3.26Å; I31-V35 VanDerWaalsContact O-N 3.08Å; L32-V35 PolarHBondContact O-N 3.44Å; V35-Q37 PolarHBondContact O-N 3.25Å; V35-I50 HydrophobicContact CG1-CG2 4.09Å; V35-I54 HydrophobicContact CG1-CD1 4.12Å; V35-I54 HydrophobicContact CG1-CG1 4.3Å; V35-L74 WeakPolarHBondContact O-CD2 3.39Å; V35-F78 HydrophobicContact CG1-CB 4.3Å; V35-F78 HydrophobicContact CG2-CB 3.95Å; V35-F78 HydrophobicContact CG2-CD2 3.89Å; V35-F78 HydrophobicContact CG2-CG 4.36Å; V35-L81 HydrophobicContact CG2-CD2 4.45Å
36F95.9Very high91.2Very high1 Ų158.4 Ų58.40%0.00429%0.287CS..  trans-98.651-170.5-56.3-75.4000113.6L32 A38 H39 L42 F45 I50 R53 I54 V57 L74L32-F36 HydrophobicContact CD2-CD2 4.45Å; L32-F36 HydrophobicContact CD2-CE2 4.25Å; L32-F36 WeakPolarHBondContact O-CD2 3.37Å; L32-F36 PolarHBondContact O-N 3.47Å; F36-A38 PolarHBondContact O-N 3.37Å; F36-A38 VanDerWaalsContact O-N 3.08Å; F36-H39 HydrophobicContact CB-CB 4.11Å; F36-H39 PolarHBondContact O-N 3.49Å; F36-L42 HydrophobicContact CB-CD1 4.45Å; F36-L42 HydrophobicContact CB-CD2 3.69Å; F36-L42 HydrophobicContact CD2-CD2 4.25Å; F36-L42 HydrophobicContact CG-CD2 4.1Å; F36-F45 AromaticContact CD1-CE1 3.95Å; F36-F45 HydrophobicContact CD1-CE1 3.95Å; F36-F45 AromaticContact CD2-CD1 3.71Å; F36-F45 HydrophobicContact CD2-CD1 3.71Å; F36-F45 AromaticContact CD2-CE1 3.8Å; F36-F45 HydrophobicContact CD2-CE1 3.8Å; F36-F45 HydrophobicContact CE1-CD1 4.46Å; F36-F45 AromaticContact CE1-CE1 3.81Å; F36-F45 HydrophobicContact CE1-CE1 3.81Å; F36-F45 AromaticContact CE2-CD1 3.48Å; F36-F45 HydrophobicContact CE2-CD1 3.48Å; F36-F45 VanDerWaalsContact CE2-CD1 3.48Å; F36-F45 AromaticContact CE2-CE1 3.67Å; F36-F45 HydrophobicContact CE2-CE1 3.67Å; F36-F45 HydrophobicContact CG-CD1 4.31Å; F36-F45 AromaticContact CG-CE1 3.95Å; F36-F45 HydrophobicContact CG-CE1 3.95Å; F36-F45 AromaticContact CZ-CD1 3.9Å; F36-F45 HydrophobicContact CZ-CD1 3.9Å; F36-F45 AromaticContact CZ-CE1 3.67Å; F36-F45 HydrophobicContact CZ-CE1 3.67Å; F36-I50 HydrophobicContact CE2-CG1 4.17Å; F36-I50 HydrophobicContact CE2-CG2 4.15Å; F36-I50 HydrophobicContact CZ-CG2 4.05Å; F36-R53 HydrophobicContact CE1-CB 4.27Å; F36-R53 HydrophobicContact CE2-CB 4.48Å; F36-R53 HydrophobicContact CZ-CB 3.72Å; F36-I54 HydrophobicContact CE1-CG1 3.76Å; F36-I54 HydrophobicContact CZ-CG1 3.84Å; F36-V57 HydrophobicContact CD1-CG2 4.13Å; F36-V57 HydrophobicContact CE1-CG2 3.98Å; F36-L74 HydrophobicContact CD1-CD1 4.25Å; F36-L74 HydrophobicContact CE1-CD1 4.29Å
37Q88.3Confident91.1Very high117 Ų11758.3 Ų58.355%0.54729%0.287SS..THydrogen-bonded Turntrans-55.1-32.6-173-70.6-173.4-33.600115.1S33 Y34 V35 H39S33-Q37 VanDerWaalsContact O-CG 3.29Å; S33-Q37 WeakPolarHBondContact O-CG 3.38Å; S33-Q37 PolarHBondContact O-N 2.88Å; Y34-Q37 WeakPolarHBondContact O-CG 3.27Å; V35-Q37 PolarHBondContact O-N 3.25Å; Q37-H39 VanDerWaalsContact C-N 3.28Å; Q37-H39 PolarHBondContact O-N 2.99Å
38A84.6Confident91Very high75 Ų7562.4 Ų62.462%0.6231%0.308SS*.THydrogen-bonded Turntrans-79.4-8.4-179.600000113.7F36F36-A38 PolarHBondContact O-N 3.37Å; F36-A38 VanDerWaalsContact O-N 3.08Å
39H83.5Confident90.9Very high57 Ų5762.1 Ų62.126%0.26431%0.307SS..  trans-103.3117.7-172.1-68.478.5000111.3F36 Q37 L42 V57 Y70F36-H39 HydrophobicContact CB-CB 4.11Å; F36-H39 PolarHBondContact O-N 3.49Å; Q37-H39 VanDerWaalsContact C-N 3.28Å; Q37-H39 PolarHBondContact O-N 2.99Å; H39-L42 HydrophobicContact CB-CD2 3.63Å; H39-V57 WeakPolarHBondContact NE2-CB 3.36Å; H39-Y70 PolarHBondContact CE1-OH 3.11Å; H39-Y70 VanDerWaalsContact CE1-OH 3.28Å
40Q73.8Confident91Very high177 Ų17757.9 Ų57.983%0.82729%0.29SS*.SBendtrans-77-28.7-180-64.7-65.4-36.100112.7
41R82.9Confident91.1Very high191 Ų19160.5 Ų60.572%0.72131%0.31SS*.  trans-124.2120.2-175.8-67.8172.5178.6-169.84.2109.2Y43R41-Y43 HydrophobicContact CB-CD2 3.96Å; R41-Y43 HydrophobicContact CB-CE2 3.88Å; R41-Y43 HydrophobicContact CG-CE2 3.92Å
42L86.8Confident91Very high13 Ų1366.1 Ų66.17%0.06834%0.336CS..  trans-118.544.6-176.7-59.1177000110.4L32 F36 H39 G44 F45L32-L42 HydrophobicContact CB-CD1 3.94Å; F36-L42 HydrophobicContact CB-CD1 4.45Å; F36-L42 HydrophobicContact CB-CD2 3.69Å; F36-L42 HydrophobicContact CD2-CD2 4.25Å; F36-L42 HydrophobicContact CG-CD2 4.1Å; H39-L42 HydrophobicContact CB-CD2 3.63Å; L42-G44 PolarHBondContact O-N 2.92Å; L42-F45 VanDerWaalsContact C-CD2 3.47Å; L42-F45 HydrophobicContact CB-CB 4.03Å; L42-F45 HydrophobicContact CB-CD1 4.33Å; L42-F45 HydrophobicContact CB-CD2 4.17Å; L42-F45 HydrophobicContact CB-CG 3.93Å; L42-F45 HydrophobicContact CD2-CD1 3.85Å; L42-F45 HydrophobicContact CD2-CE1 3.79Å; L42-F45 HydrophobicContact CD2-CG 4.25Å; L42-F45 HydrophobicContact CD2-CZ 4.18Å; L42-F45 WeakPolarHBondContact O-CB 3.3Å; L42-F45 PolarHBondContact O-N 2.91Å
43Y82.8Confident91Very high180 Ų18068.3 Ų68.371%0.70634%0.343SS*.THydrogen-bonded Turntrans-66.5129-178-66.4-63.8000111.2R41 F45R41-Y43 HydrophobicContact CB-CD2 3.96Å; R41-Y43 HydrophobicContact CB-CE2 3.88Å; R41-Y43 HydrophobicContact CG-CE2 3.92Å; Y43-F45 WeakPolarHBondContact O-CD2 3.45Å; Y43-F45 PolarHBondContact O-N 3.28Å
44G87.1Confident91.2Very high52 Ų5266.1 Ų66.154%0.53633%0.328SS..THydrogen-bonded Turntrans72.710.4-177.200000114.3L42 N49 R53L42-G44 PolarHBondContact O-N 2.92Å; G44-N49 PolarHBondContact O-ND2 3.21Å; G44-R53 PolarHBondContact O-NE 2.82Å; G44-R53 PolarHBondContact O-NH2 3.41Å
45F93Very high91.2Very high28 Ų2866.6 Ų66.612%0.12334%0.336CS..  trans-84.3126.5171.5-73.3-128.1000108.3L32 F36 L42 Y43 R53 V57L32-F45 HydrophobicContact CD1-CB 4.22Å; L32-F45 HydrophobicContact CD2-CB 3.95Å; F36-F45 AromaticContact CD1-CE1 3.95Å; F36-F45 HydrophobicContact CD1-CE1 3.95Å; F36-F45 AromaticContact CD2-CD1 3.71Å; F36-F45 HydrophobicContact CD2-CD1 3.71Å; F36-F45 AromaticContact CD2-CE1 3.8Å; F36-F45 HydrophobicContact CD2-CE1 3.8Å; F36-F45 HydrophobicContact CE1-CD1 4.46Å; F36-F45 AromaticContact CE1-CE1 3.81Å; F36-F45 HydrophobicContact CE1-CE1 3.81Å; F36-F45 AromaticContact CE2-CD1 3.48Å; F36-F45 HydrophobicContact CE2-CD1 3.48Å; F36-F45 VanDerWaalsContact CE2-CD1 3.48Å; F36-F45 AromaticContact CE2-CE1 3.67Å; F36-F45 HydrophobicContact CE2-CE1 3.67Å; F36-F45 HydrophobicContact CG-CD1 4.31Å; F36-F45 AromaticContact CG-CE1 3.95Å; F36-F45 HydrophobicContact CG-CE1 3.95Å; F36-F45 AromaticContact CZ-CD1 3.9Å; F36-F45 HydrophobicContact CZ-CD1 3.9Å; F36-F45 AromaticContact CZ-CE1 3.67Å; F36-F45 HydrophobicContact CZ-CE1 3.67Å; L42-F45 VanDerWaalsContact C-CD2 3.47Å; L42-F45 HydrophobicContact CB-CB 4.03Å; L42-F45 HydrophobicContact CB-CD1 4.33Å; L42-F45 HydrophobicContact CB-CD2 4.17Å; L42-F45 HydrophobicContact CB-CG 3.93Å; L42-F45 HydrophobicContact CD2-CD1 3.85Å; L42-F45 HydrophobicContact CD2-CE1 3.79Å; L42-F45 HydrophobicContact CD2-CG 4.25Å; L42-F45 HydrophobicContact CD2-CZ 4.18Å; L42-F45 WeakPolarHBondContact O-CB 3.3Å; L42-F45 PolarHBondContact O-N 2.91Å; Y43-F45 WeakPolarHBondContact O-CD2 3.45Å; Y43-F45 PolarHBondContact O-N 3.28Å; F45-R53 HydrophobicContact CD1-CB 3.81Å; F45-R53 HydrophobicContact CD1-CG 3.74Å; F45-R53 HydrophobicContact CD2-CG 4.22Å; F45-R53 HydrophobicContact CE1-CB 3.52Å; F45-R53 HydrophobicContact CE1-CG 3.83Å; F45-R53 HydrophobicContact CE2-CG 4.28Å; F45-R53 HydrophobicContact CG-CG 3.95Å; F45-R53 HydrophobicContact CZ-CB 3.99Å; F45-R53 HydrophobicContact CZ-CG 4.09Å; F45-V57 HydrophobicContact CE1-CG1 4.27Å; F45-V57 HydrophobicContact CZ-CG1 3.79Å
46I93.3Very high91.1Very high87 Ų8770.3 Ų70.345%0.44635%0.354SS..  trans-131.1157.1172.959.2168.4000107.8L48 N49 I50I46-L48 HydrophobicContact CD1-CB 4.36Å; I46-L48 PolarHBondContact O-N 3.19Å; I46-L48 VanDerWaalsContact O-N 3.13Å; I46-N49 HydrophobicContact CG1-CB 3.98Å; I46-N49 VanDerWaalsContact CG1-CG 3.49Å; I46-N49 PolarHBondContact N-OD1 3.15Å; I46-N49 PolarHBondContact O-N 2.97Å; I46-N49 PolarHBondContact O-OD1 3.25Å; I46-I50 PolarHBondContact O-N 2.88Å
47L94.6Very high91.1Very high4 Ų472 Ų722%0.02136%0.364CS..G310 helixtrans-58.6-35.3-173.7-60-167.3000113.1D28 I31 L32 N49 I50 Y90 L92 A96D28-L47 HydrophobicContact CB-CD1 4.37Å; D28-L47 HydrophobicContact CB-CD2 4.42Å; D28-L47 HydrophobicContact CB-CG 4.33Å; D28-L47 VanDerWaalsContact OD1-CD1 3.22Å; D28-L47 WeakPolarHBondContact OD1-CD1 3.39Å; I31-L47 HydrophobicContact CB-CD2 3.82Å; I31-L47 HydrophobicContact CD1-CD1 3.78Å; I31-L47 HydrophobicContact CD1-CD2 4.49Å; I31-L47 HydrophobicContact CG2-CD2 3.6Å; L32-L47 HydrophobicContact CD2-CD2 4.07Å; L32-L47 HydrophobicContact CG-CD2 3.85Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3Å; L47-I50 HydrophobicContact CB-CD1 4.44Å; L47-I50 HydrophobicContact CD2-CD1 3.85Å; L47-I50 WeakPolarHBondContact O-CG1 3.45Å; L47-I50 PolarHBondContact O-N 3.41Å; L47-Y90 VanDerWaalsContact CD1-OH 3.28Å; L47-Y90 WeakPolarHBondContact CD1-OH 3.2Å; L47-L92 HydrophobicContact CB-CD1 3.82Å; L47-A96 HydrophobicContact CB-CB 3.74Å; L47-A96 HydrophobicContact CD1-CB 4.07Å; L47-A96 HydrophobicContact CG-CB 4.38Å
48L95.3Very high91.4Very high85 Ų8566.6 Ų66.645%0.44534%0.339SS..G310 helixtrans-69.4-23.4179.9-63.9178.2000113.8I46 L92 A96 P97I46-L48 HydrophobicContact CD1-CB 4.36Å; I46-L48 PolarHBondContact O-N 3.19Å; I46-L48 VanDerWaalsContact O-N 3.13Å; L48-L92 HydrophobicContact CD2-CG 4.34Å; L48-A96 HydrophobicContact CD2-CB 3.98Å; L48-A96 HydrophobicContact CG-CB 4.06Å; L48-P97 HydrophobicContact CD1-CG 4.19Å
49N96.1Very high92Very high24 Ų2465 Ų6513%0.12832%0.322CS..G310 helixtrans-100.64.9179.977.76.6000113.7G44 I46 L47 P51 Q52 R53G44-N49 PolarHBondContact O-ND2 3.21Å; I46-N49 HydrophobicContact CG1-CB 3.98Å; I46-N49 VanDerWaalsContact CG1-CG 3.49Å; I46-N49 PolarHBondContact N-OD1 3.15Å; I46-N49 PolarHBondContact O-N 2.97Å; I46-N49 PolarHBondContact O-OD1 3.25Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3Å; N49-P51 VanDerWaalsContact C-CD 3.5Å; N49-P51 VanDerWaalsContact C-N 3.34Å; N49-Q52 WeakPolarHBondContact O-CB 3.27Å; N49-Q52 PolarHBondContact O-N 3.46Å; N49-R53 HydrophobicContact CB-CG 4.5Å; N49-R53 PolarHBondContact ND2-NE 3.4Å; N49-R53 WeakPolarHBondContact O-CG 3.19Å; N49-R53 PolarHBondContact O-N 3.17Å; N49-R53 VanDerWaalsContact OD1-CG 3.28Å; N49-R53 WeakPolarHBondContact OD1-CG 3.43Å
50I97.1Very high92.5Very high0 Ų066.8 Ų66.80%033%0.33CS..Hα-helixtrans-49.8-47.7178.7-69.3174.8000112.5I31 L32 V35 F36 I46 L47 Q52 R53 I54 F78I31-I50 HydrophobicContact CG2-CD1 3.99Å; L32-I50 HydrophobicContact CD2-CD1 3.9Å; L32-I50 HydrophobicContact CD2-CG1 3.82Å; V35-I50 HydrophobicContact CG1-CG2 4.09Å; F36-I50 HydrophobicContact CE2-CG1 4.17Å; F36-I50 HydrophobicContact CE2-CG2 4.15Å; F36-I50 HydrophobicContact CZ-CG2 4.05Å; I46-I50 PolarHBondContact O-N 2.88Å; L47-I50 HydrophobicContact CB-CD1 4.44Å; L47-I50 HydrophobicContact CD2-CD1 3.85Å; L47-I50 WeakPolarHBondContact O-CG1 3.45Å; L47-I50 PolarHBondContact O-N 3.41Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 3.11Å; I50-R53 PolarHBondContact O-N 3.16Å; I50-R53 VanDerWaalsContact O-N 3.15Å; I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.21Å; I50-I54 VanDerWaalsContact O-CG1 3.32Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 2.68Å; I50-F78 HydrophobicContact CB-CD2 4.44Å; I50-F78 HydrophobicContact CB-CE1 4.44Å; I50-F78 HydrophobicContact CB-CE2 4.13Å; I50-F78 HydrophobicContact CB-CZ 4.11Å; I50-F78 HydrophobicContact CD1-CD2 4.06Å; I50-F78 HydrophobicContact CD1-CE2 3.64Å; I50-F78 HydrophobicContact CD1-CZ 4.32Å; I50-F78 HydrophobicContact CG1-CE2 4.48Å; I50-F78 HydrophobicContact CG2-CB 4.3Å; I50-F78 HydrophobicContact CG2-CD1 3.96Å; I50-F78 HydrophobicContact CG2-CD2 3.71Å; I50-F78 HydrophobicContact CG2-CE1 4.14Å; I50-F78 HydrophobicContact CG2-CE2 3.9Å; I50-F78 HydrophobicContact CG2-CG 3.72Å; I50-F78 HydrophobicContact CG2-CZ 4.09Å
51P96.6Very high93.3Very high71 Ų7164.1 Ų64.146%0.46133%0.328SS..Hα-helixtrans-58.3-42.4179.5-25.935.7000113.1N49 I54 V55 F78N49-P51 VanDerWaalsContact C-CD 3.5Å; N49-P51 VanDerWaalsContact C-N 3.34Å; P51-I54 PolarHBondContact O-N 3.43Å; P51-V55 PolarHBondContact O-N 2.93Å; P51-F78 HydrophobicContact CG-CE1 3.98Å
52Q96.8Very high93.8Very high117 Ų11762.5 Ų62.555%0.54733%0.333SS..Hα-helixtrans-65.7-46175.7-179.9-174.5-12.400110.9N49 I50 I54 V55 E56N49-Q52 WeakPolarHBondContact O-CB 3.27Å; N49-Q52 PolarHBondContact O-N 3.46Å; I50-Q52 VanDerWaalsContact C-N 3.31Å; I50-Q52 PolarHBondContact O-N 3.11Å; Q52-I54 VanDerWaalsContact C-N 3.26Å; Q52-I54 PolarHBondContact O-N 3.01Å; Q52-V55 WeakPolarHBondContact O-CB 3.44Å; Q52-V55 PolarHBondContact O-N 3.15Å; Q52-V55 VanDerWaalsContact O-N 3.08Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.31Å; Q52-E56 PolarHBondContact NE2-OE1 3.37Å; Q52-E56 PolarHBondContact O-N 3.41Å
53R96.6Very high94.1Very high54 Ų5466.5 Ų66.520%0.20436%0.358CS..Hα-helixtrans-62.3-33.1179.7-67.6-55.9-174.4-175.8-0.1112.6F36 G44 F45 N49 I50 E56 V57F36-R53 HydrophobicContact CE1-CB 4.27Å; F36-R53 HydrophobicContact CE2-CB 4.48Å; F36-R53 HydrophobicContact CZ-CB 3.72Å; G44-R53 PolarHBondContact O-NE 2.82Å; G44-R53 PolarHBondContact O-NH2 3.41Å; F45-R53 HydrophobicContact CD1-CB 3.81Å; F45-R53 HydrophobicContact CD1-CG 3.74Å; F45-R53 HydrophobicContact CD2-CG 4.22Å; F45-R53 HydrophobicContact CE1-CB 3.52Å; F45-R53 HydrophobicContact CE1-CG 3.83Å; F45-R53 HydrophobicContact CE2-CG 4.28Å; F45-R53 HydrophobicContact CG-CG 3.95Å; F45-R53 HydrophobicContact CZ-CB 3.99Å; F45-R53 HydrophobicContact CZ-CG 4.09Å; N49-R53 HydrophobicContact CB-CG 4.5Å; N49-R53 PolarHBondContact ND2-NE 3.4Å; N49-R53 WeakPolarHBondContact O-CG 3.19Å; N49-R53 PolarHBondContact O-N 3.17Å; N49-R53 VanDerWaalsContact OD1-CG 3.28Å; N49-R53 WeakPolarHBondContact OD1-CG 3.43Å; I50-R53 PolarHBondContact O-N 3.16Å; I50-R53 VanDerWaalsContact O-N 3.15Å; R53-E56 WeakPolarHBondContact CD-OE2 3.33Å; R53-E56 IonicContact CZ-OE2 2.67Å; R53-E56 IonicContact NE-OE2 2.76Å; R53-E56 IonicContact NH1-OE1 2.74Å; R53-E56 IonicContact NH1-OE2 3.45Å; R53-E56 PolarHBondContact NH1-OE2 3.35Å; R53-E56 PolarHBondContact O-N 3.1Å; R53-V57 WeakPolarHBondContact O-CG1 3.41Å; R53-V57 WeakPolarHBondContact O-CG2 3.44Å; R53-V57 PolarHBondContact O-N 2.83Å
54I97.3Very high94.7Very high2 Ų260.5 Ų60.51%0.0135%0.351CS..Hα-helixtrans-59.5-46.8172.5-72.3170.3000110.7V35 F36 I50 P51 Q52 E56 S58 R71 L74 F78V35-I54 HydrophobicContact CG1-CD1 4.12Å; V35-I54 HydrophobicContact CG1-CG1 4.3Å; F36-I54 HydrophobicContact CE1-CG1 3.76Å; F36-I54 HydrophobicContact CZ-CG1 3.84Å; I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.21Å; I50-I54 VanDerWaalsContact O-CG1 3.32Å; I50-I54 WeakPolarHBondContact O-CG1 3.45Å; I50-I54 PolarHBondContact O-N 2.68Å; P51-I54 PolarHBondContact O-N 3.43Å; Q52-I54 VanDerWaalsContact C-N 3.26Å; Q52-I54 PolarHBondContact O-N 3.01Å; I54-E56 PolarHBondContact O-N 3.24Å; I54-S58 VanDerWaalsContact O-CB 3.28Å; I54-S58 WeakPolarHBondContact O-CB 3.43Å; I54-S58 PolarHBondContact O-N 3.33Å; I54-S58 VanDerWaalsContact O-N 3.12Å; I54-S58 PolarHBondContact O-OG 3.32Å; I54-R71 HydrophobicContact CG2-CG 3.89Å; I54-L74 HydrophobicContact CB-CB 4.45Å; I54-L74 HydrophobicContact CD1-CB 4.08Å; I54-L74 HydrophobicContact CG1-CB 3.87Å; I54-L74 HydrophobicContact CG1-CD1 4.4Å; I54-L74 HydrophobicContact CG2-CB 3.85Å; I54-L74 HydrophobicContact CG2-CD1 4.35Å; I54-F78 HydrophobicContact CD1-CB 4.14Å
55V96.7Very high95.1Very high64 Ų6464.4 Ų64.439%0.38836%0.355SS..Hα-helixtrans-61.4-46176.9177.90000110.9P51 Q52 S58 T59 M66P51-V55 PolarHBondContact O-N 2.93Å; Q52-V55 WeakPolarHBondContact O-CB 3.44Å; Q52-V55 PolarHBondContact O-N 3.15Å; Q52-V55 VanDerWaalsContact O-N 3.08Å; V55-S58 PolarHBondContact O-N 3.24Å; V55-T59 WeakPolarHBondContact O-CB 3.36Å; V55-T59 PolarHBondContact O-N 2.88Å; V55-T59 VanDerWaalsContact O-N 3.16Å; V55-T59 PolarHBondContact O-OG1 3.33Å; V55-M66 HydrophobicContact CG1-SD 4.28Å
56E94.6Very high95.3Very high77 Ų7765.6 Ų65.636%0.3636%0.361SS..Hα-helixtrans-61.8-48.6-178.5-69.6173.8-171.900112.5Q52 R53 I54 S58 T59Q52-E56 WeakPolarHBondContact CG-OE1 3.31Å; Q52-E56 PolarHBondContact NE2-OE1 3.37Å; Q52-E56 PolarHBondContact O-N 3.41Å; R53-E56 WeakPolarHBondContact CD-OE2 3.33Å; R53-E56 IonicContact CZ-OE2 2.67Å; R53-E56 IonicContact NE-OE2 2.76Å; R53-E56 IonicContact NH1-OE1 2.74Å; R53-E56 IonicContact NH1-OE2 3.45Å; R53-E56 PolarHBondContact NH1-OE2 3.35Å; R53-E56 PolarHBondContact O-N 3.1Å; I54-E56 PolarHBondContact O-N 3.24Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.46Å; E56-T59 PolarHBondContact O-N 3.36Å
57V94.9Very high95.5Very high37 Ų3765.2 Ų65.222%0.22436%0.36CS..Hα-helixtrans-72.7-21.8-178.2-58.90000113.3F36 H39 F45 R53 T59 Y70 L74F36-V57 HydrophobicContact CD1-CG2 4.13Å; F36-V57 HydrophobicContact CE1-CG2 3.98Å; H39-V57 WeakPolarHBondContact NE2-CB 3.36Å; F45-V57 HydrophobicContact CE1-CG1 4.27Å; F45-V57 HydrophobicContact CZ-CG1 3.79Å; R53-V57 WeakPolarHBondContact O-CG1 3.41Å; R53-V57 WeakPolarHBondContact O-CG2 3.44Å; R53-V57 PolarHBondContact O-N 2.83Å; V57-T59 VanDerWaalsContact C-N 3.32Å; V57-Y70 HydrophobicContact CG2-CE1 4.36Å; V57-L74 HydrophobicContact CG2-CD1 3.55Å
58S96.1Very high95.6Very high4 Ų469.7 Ų69.73%0.02838%0.381CS..THydrogen-bonded Turntrans-86.8-3174.3-61.50000113I54 V55 E56 D67 Y70 R71I54-S58 VanDerWaalsContact O-CB 3.28Å; I54-S58 WeakPolarHBondContact O-CB 3.43Å; I54-S58 PolarHBondContact O-N 3.33Å; I54-S58 VanDerWaalsContact O-N 3.12Å; I54-S58 PolarHBondContact O-OG 3.32Å; V55-S58 PolarHBondContact O-N 3.24Å; E56-S58 VanDerWaalsContact C-N 3.27Å; E56-S58 PolarHBondContact O-N 3.46Å; S58-D67 PolarHBondContact O-N 3.47Å; S58-Y70 WeakPolarHBondContact OG-CD1 3.49Å; S58-R71 VanDerWaalsContact OG-CA 3.25Å; S58-R71 WeakPolarHBondContact OG-CA 3.41Å; S58-R71 PolarHBondContact OG-N 3.4Å
59T96.2Very high95.7Very high42 Ų4269.2 Ų69.226%0.25839%0.39SS..BIsolated β-bridgetrans-103.7125.6179.7-58.20000110.4V55 E56 V57V55-T59 WeakPolarHBondContact O-CB 3.36Å; V55-T59 PolarHBondContact O-N 2.88Å; V55-T59 VanDerWaalsContact O-N 3.16Å; V55-T59 PolarHBondContact O-OG1 3.33Å; E56-T59 PolarHBondContact O-N 3.36Å; V57-T59 VanDerWaalsContact C-N 3.32Å
60H93.9Very high95.7Very high93 Ų9370.8 Ų70.843%0.43139%0.394SS..  trans-67.2123.4178-175.3-92.8000110.3L62 T63 G64 H65H60-L62 VanDerWaalsContact C-N 3.26Å; H60-L62 PolarHBondContact ND1-N 3.42Å; H60-L62 PolarHBondContact O-N 3.42Å; H60-L62 VanDerWaalsContact O-N 3.15Å; H60-T63 WeakPolarHBondContact CB-OG1 3.42Å; H60-T63 PolarHBondContact ND1-N 2.88Å; H60-T63 PolarHBondContact ND1-OG1 3.33Å; H60-T63 PolarHBondContact O-N 2.84Å; H60-G64 WeakPolarHBondContact O-CA 3.19Å; H60-G64 PolarHBondContact O-N 2.9Å; H60-H65 WeakPolarHBondContact CB-O 3.45Å; H60-H65 PolarHBondContact N-O 3.23Å
61P90.2Very high95.8Very high122 Ų12274.8 Ų74.879%0.79241%0.409SS*.THydrogen-bonded Turntrans-67.4-23.5-165.224.8-35.1000114.2
62L93.1Very high95.8Very high156 Ų15676.2 Ų76.282%0.81741%0.412SS*.THydrogen-bonded Turntrans-96.4-27.8-177.5-58.3176.5000113.5H60H60-L62 VanDerWaalsContact C-N 3.26Å; H60-L62 PolarHBondContact ND1-N 3.42Å; H60-L62 PolarHBondContact O-N 3.42Å; H60-L62 VanDerWaalsContact O-N 3.15Å
63T94.8Very high95.9Very high98 Ų9875.9 Ų75.960%0.60141%0.407SS*.THydrogen-bonded Turntrans-108.9-15-172.958.80000112.3H60 H65H60-T63 WeakPolarHBondContact CB-OG1 3.42Å; H60-T63 PolarHBondContact ND1-N 2.88Å; H60-T63 PolarHBondContact ND1-OG1 3.33Å; H60-T63 PolarHBondContact O-N 2.84Å; T63-H65 PolarHBondContact O-N 3.09Å; T63-H65 VanDerWaalsContact O-N 3.1Å; T63-H65 PolarHBondContact OG1-N 3.36Å
64G94.2Very high96Very high53 Ų5373.4 Ų73.455%0.54640%0.397SS..  trans66.43.4-171.700000113.5H60 M66H60-G64 WeakPolarHBondContact O-CA 3.19Å; H60-G64 PolarHBondContact O-N 2.9Å; G64-M66 PolarHBondContact O-N 3.33Å
65H96.1Very high96Very high134 Ų13475.1 Ų75.162%0.6241%0.41SS*.  trans-71.4127.2179.6-175.9-80.3000109.8H60 T63H60-H65 WeakPolarHBondContact CB-O 3.45Å; H60-H65 PolarHBondContact N-O 3.23Å; T63-H65 PolarHBondContact O-N 3.09Å; T63-H65 VanDerWaalsContact O-N 3.1Å; T63-H65 PolarHBondContact OG1-N 3.36Å
66M96.4Very high96.1Very high53 Ų5375.9 Ų75.926%0.26141%0.412SS..BIsolated β-bridgetrans-92.4126.7-179.2-169162.370.300110.8V55 G64 E68 R71V55-M66 HydrophobicContact CG1-SD 4.28Å; G64-M66 PolarHBondContact O-N 3.33Å; M66-E68 VanDerWaalsContact CE-CD 3.4Å; M66-E68 HydrophobicContact CE-CG 4.34Å; M66-E68 WeakPolarHBondContact CE-OE1 3.33Å; M66-E68 PolarHBondContact O-N 3.43Å; M66-E68 VanDerWaalsContact O-N 3.14Å; M66-R71 VanDerWaalsContact SD-CD 3.52Å
67D97.1Very high96.2Very high80 Ų8073.8 Ų73.843%0.42840%0.401SS..  trans-76.792.7166.5-173.9-22.3000109.1S58 A69 Y70 R71S58-D67 PolarHBondContact O-N 3.47Å; D67-A69 VanDerWaalsContact C-N 3.31Å; D67-A69 PolarHBondContact O-N 3.28Å; D67-A69 PolarHBondContact OD1-N 2.97Å; D67-Y70 PolarHBondContact O-N 3.11Å; D67-Y70 WeakPolarHBondContact OD1-CB 3.48Å; D67-Y70 PolarHBondContact OD1-N 3.36Å; D67-Y70 WeakPolarHBondContact OD2-CB 3.47Å; D67-R71 WeakPolarHBondContact O-CB 3.5Å; D67-R71 PolarHBondContact O-N 3.37Å
68E97.3Very high96.4Very high98 Ų9873.1 Ų73.146%0.45839%0.394SS..Hα-helixtrans-62.1-36.8-179-75.9-72.3-164.800113.2M66 R71 L72M66-E68 VanDerWaalsContact CE-CD 3.4Å; M66-E68 HydrophobicContact CE-CG 4.34Å; M66-E68 WeakPolarHBondContact CE-OE1 3.33Å; M66-E68 PolarHBondContact O-N 3.43Å; M66-E68 VanDerWaalsContact O-N 3.14Å; E68-R71 PolarHBondContact O-N 3.14Å; E68-R71 IonicContact OE1-NH2 3.81Å; E68-R71 PolarHBondContact OE1-NH2 2.87Å; E68-R71 IonicContact OE2-CZ 3.75Å; E68-R71 IonicContact OE2-NE 2.78Å; E68-R71 PolarHBondContact OE2-NE 2.87Å; E68-R71 IonicContact OE2-NH2 3.76Å; E68-R71 PolarHBondContact OE2-NH2 3.15Å; E68-L72 VanDerWaalsContact O-CB 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 PolarHBondContact O-N 3.13Å
69A97.4Very high96.5Very high75 Ų7576.7 Ų76.762%0.6242%0.417SS*.Hα-helixtrans-67.2-43.7179.700000110.5D67 Y73D67-A69 VanDerWaalsContact C-N 3.31Å; D67-A69 PolarHBondContact O-N 3.28Å; D67-A69 PolarHBondContact OD1-N 2.97Å; A69-Y73 WeakPolarHBondContact O-CB 3.28Å; A69-Y73 PolarHBondContact O-N 3.4Å
70Y97.1Very high96.6Very high56 Ų5678.7 Ų78.722%0.2243%0.425CS..Hα-helixtrans-67.9-40.7176.5-170.7-127.2000112.3H39 V57 S58 D67 L72 Y73 L74H39-Y70 PolarHBondContact CE1-OH 3.11Å; H39-Y70 VanDerWaalsContact CE1-OH 3.28Å; V57-Y70 HydrophobicContact CG2-CE1 4.36Å; S58-Y70 WeakPolarHBondContact OG-CD1 3.49Å; D67-Y70 PolarHBondContact O-N 3.11Å; D67-Y70 WeakPolarHBondContact OD1-CB 3.48Å; D67-Y70 PolarHBondContact OD1-N 3.36Å; D67-Y70 WeakPolarHBondContact OD2-CB 3.47Å; Y70-L72 PolarHBondContact O-N 2.94Å; Y70-Y73 HydrophobicContact CD2-CD1 4.12Å; Y70-Y73 HydrophobicContact CE2-CD1 4.11Å; Y70-Y73 WeakPolarHBondContact O-CB 3.27Å; Y70-Y73 PolarHBondContact O-N 3.41Å; Y70-L74 HydrophobicContact CD1-CD1 4.19Å; Y70-L74 HydrophobicContact CD2-CG 4.46Å; Y70-L74 HydrophobicContact CE1-CD1 3.71Å; Y70-L74 HydrophobicContact CE1-CG 4.36Å; Y70-L74 HydrophobicContact CE2-CD1 4.34Å; Y70-L74 HydrophobicContact CE2-CD2 4.1Å; Y70-L74 HydrophobicContact CE2-CG 4.12Å; Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.46Å
71R97.8Very high96.8Very high85 Ų8574.2 Ų74.232%0.32141%0.405SS..Hα-helixtrans-58.3-48.2174.6-173.3-177.470.9115.3-8.1111.6I54 S58 M66 D67 E68 L74 S75I54-R71 HydrophobicContact CG2-CG 3.89Å; S58-R71 VanDerWaalsContact OG-CA 3.25Å; S58-R71 WeakPolarHBondContact OG-CA 3.41Å; S58-R71 PolarHBondContact OG-N 3.4Å; M66-R71 VanDerWaalsContact SD-CD 3.52Å; D67-R71 WeakPolarHBondContact O-CB 3.5Å; D67-R71 PolarHBondContact O-N 3.37Å; E68-R71 PolarHBondContact O-N 3.14Å; E68-R71 IonicContact OE1-NH2 3.81Å; E68-R71 PolarHBondContact OE1-NH2 2.87Å; E68-R71 IonicContact OE2-CZ 3.75Å; E68-R71 IonicContact OE2-NE 2.78Å; E68-R71 PolarHBondContact OE2-NE 2.87Å; E68-R71 IonicContact OE2-NH2 3.76Å; E68-R71 PolarHBondContact OE2-NH2 3.15Å; R71-L74 PolarHBondContact O-N 3.43Å; R71-S75 WeakPolarHBondContact O-CB 3.46Å; R71-S75 PolarHBondContact O-N 2.95Å; R71-S75 PolarHBondContact O-OG 3.05Å
72L98.1Very high97.2Very high100 Ų10069.9 Ų69.952%0.52437%0.374SS..Hα-helixtrans-63.1-43.6178.4-178.461.5000111E68 Y70 L74 S75 N76E68-L72 VanDerWaalsContact O-CB 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 PolarHBondContact O-N 3.13Å; Y70-L72 PolarHBondContact O-N 2.94Å; L72-L74 PolarHBondContact O-N 3.31Å; L72-S75 PolarHBondContact O-N 2.94Å; L72-N76 WeakPolarHBondContact O-CB 3.22Å; L72-N76 VanDerWaalsContact O-CG 3.31Å; L72-N76 PolarHBondContact O-N 2.75Å
73Y97.8Very high97.4Very high111 Ų11167.5 Ų67.544%0.43536%0.359SS..Hα-helixtrans-55.5-51.8175.6170.7-103000112.1A69 Y70 S75 N76 R77A69-Y73 WeakPolarHBondContact O-CB 3.28Å; A69-Y73 PolarHBondContact O-N 3.4Å; Y70-Y73 HydrophobicContact CD2-CD1 4.12Å; Y70-Y73 HydrophobicContact CE2-CD1 4.11Å; Y70-Y73 WeakPolarHBondContact O-CB 3.27Å; Y70-Y73 PolarHBondContact O-N 3.41Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 3.19Å; Y73-N76 PolarHBondContact O-N 2.97Å; Y73-R77 VanDerWaalsContact CE1-CD 3.49Å; Y73-R77 HydrophobicContact CE1-CG 4.47Å; Y73-R77 HydrophobicContact CE2-CG 4.37Å; Y73-R77 VanDerWaalsContact CZ-CD 3.5Å; Y73-R77 WeakPolarHBondContact O-CG 3.29Å; Y73-R77 PolarHBondContact O-N 2.85Å; Y73-R77 VanDerWaalsContact O-N 3.07Å; Y73-R77 PolarHBondContact OH-NH1 3.46Å; Y73-R77 VanDerWaalsContact OH-NH1 3.07Å
74L98.2Very high97.6Very high1 Ų164.1 Ų64.11%0.00534%0.339CS..Hα-helixtrans-65.2-38179-64.5179.6000112.4V35 F36 I54 V57 Y70 R71 L72 R77 F78V35-L74 WeakPolarHBondContact O-CD2 3.39Å; F36-L74 HydrophobicContact CD1-CD1 4.25Å; F36-L74 HydrophobicContact CE1-CD1 4.29Å; I54-L74 HydrophobicContact CB-CB 4.45Å; I54-L74 HydrophobicContact CD1-CB 4.08Å; I54-L74 HydrophobicContact CG1-CB 3.87Å; I54-L74 HydrophobicContact CG1-CD1 4.4Å; I54-L74 HydrophobicContact CG2-CB 3.85Å; I54-L74 HydrophobicContact CG2-CD1 4.35Å; V57-L74 HydrophobicContact CG2-CD1 3.55Å; Y70-L74 HydrophobicContact CD1-CD1 4.19Å; Y70-L74 HydrophobicContact CD2-CG 4.46Å; Y70-L74 HydrophobicContact CE1-CD1 3.71Å; Y70-L74 HydrophobicContact CE1-CG 4.36Å; Y70-L74 HydrophobicContact CE2-CD1 4.34Å; Y70-L74 HydrophobicContact CE2-CD2 4.1Å; Y70-L74 HydrophobicContact CE2-CG 4.12Å; Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.46Å; R71-L74 PolarHBondContact O-N 3.43Å; L72-L74 PolarHBondContact O-N 3.31Å; L74-R77 PolarHBondContact O-N 3.49Å; L74-F78 PolarHBondContact O-N 2.76Å
75S98.2Very high97.8Very high38 Ų3861.6 Ų61.627%0.26631%0.313SS..Hα-helixtrans-63.4-42.9178.2-59.10000111.9R71 L72 Y73 F78 T79R71-S75 WeakPolarHBondContact O-CB 3.46Å; R71-S75 PolarHBondContact O-N 2.95Å; R71-S75 PolarHBondContact O-OG 3.05Å; L72-S75 PolarHBondContact O-N 2.94Å; Y73-S75 VanDerWaalsContact C-N 3.34Å; Y73-S75 PolarHBondContact O-N 3.19Å; S75-F78 PolarHBondContact O-N 2.92Å; S75-T79 WeakPolarHBondContact O-CB 3.31Å; S75-T79 PolarHBondContact O-N 2.84Å; S75-T79 PolarHBondContact O-OG1 3.13Å
76N98.3Very high97.9Very high81 Ų8156.9 Ų56.943%0.43330%0.301SS..Hα-helixtrans-64.2-46.8175.6-71.3-12.9000110.7L72 Y73 F78 T79 D80L72-N76 WeakPolarHBondContact O-CB 3.22Å; L72-N76 VanDerWaalsContact O-CG 3.31Å; L72-N76 PolarHBondContact O-N 2.75Å; Y73-N76 PolarHBondContact O-N 2.97Å; N76-F78 VanDerWaalsContact C-N 3.29Å; N76-F78 PolarHBondContact O-N 2.82Å; N76-T79 PolarHBondContact O-N 3.02Å; N76-T79 VanDerWaalsContact O-N 3.15Å; N76-D80 WeakPolarHBondContact O-CB 3.39Å; N76-D80 PolarHBondContact O-N 3.23Å
77R97.4Very high98Very high33 Ų3361.6 Ų61.613%0.12532%0.32CS..Hα-helixtrans-55.3-44.4175.5-70.3-179.372.777.310.4112.8Y34 Y73 L74 L81Y34-R77 HydrophobicContact CE1-CB 4.3Å; Y34-R77 VanDerWaalsContact O-CZ 3.27Å; Y34-R77 PolarHBondContact O-NE 3.32Å; Y34-R77 PolarHBondContact O-NH2 3.24Å; Y73-R77 VanDerWaalsContact CE1-CD 3.49Å; Y73-R77 HydrophobicContact CE1-CG 4.47Å; Y73-R77 HydrophobicContact CE2-CG 4.37Å; Y73-R77 VanDerWaalsContact CZ-CD 3.5Å; Y73-R77 WeakPolarHBondContact O-CG 3.29Å; Y73-R77 PolarHBondContact O-N 2.85Å; Y73-R77 VanDerWaalsContact O-N 3.07Å; Y73-R77 PolarHBondContact OH-NH1 3.46Å; Y73-R77 VanDerWaalsContact OH-NH1 3.07Å; L74-R77 PolarHBondContact O-N 3.49Å; R77-L81 VanDerWaalsContact O-CB 3.23Å; R77-L81 WeakPolarHBondContact O-CB 3.27Å; R77-L81 PolarHBondContact O-N 3.28Å; R77-L81 VanDerWaalsContact O-N 3.1Å
78F98.3Very high98Very high22 Ų2261.3 Ų61.310%0.09632%0.318CS..Hα-helixtrans-65.4-45.6178.4178-126.2000111.4V35 I50 P51 I54 L74 S75 N76 L81 M82 L92V35-F78 HydrophobicContact CG1-CB 4.3Å; V35-F78 HydrophobicContact CG2-CB 3.95Å; V35-F78 HydrophobicContact CG2-CD2 3.89Å; V35-F78 HydrophobicContact CG2-CG 4.36Å; I50-F78 HydrophobicContact CB-CD2 4.44Å; I50-F78 HydrophobicContact CB-CE1 4.44Å; I50-F78 HydrophobicContact CB-CE2 4.13Å; I50-F78 HydrophobicContact CB-CZ 4.11Å; I50-F78 HydrophobicContact CD1-CD2 4.06Å; I50-F78 HydrophobicContact CD1-CE2 3.64Å; I50-F78 HydrophobicContact CD1-CZ 4.32Å; I50-F78 HydrophobicContact CG1-CE2 4.48Å; I50-F78 HydrophobicContact CG2-CB 4.3Å; I50-F78 HydrophobicContact CG2-CD1 3.96Å; I50-F78 HydrophobicContact CG2-CD2 3.71Å; I50-F78 HydrophobicContact CG2-CE1 4.14Å; I50-F78 HydrophobicContact CG2-CE2 3.9Å; I50-F78 HydrophobicContact CG2-CG 3.72Å; I50-F78 HydrophobicContact CG2-CZ 4.09Å; P51-F78 HydrophobicContact CG-CE1 3.98Å; I54-F78 HydrophobicContact CD1-CB 4.14Å; L74-F78 PolarHBondContact O-N 2.76Å; S75-F78 PolarHBondContact O-N 2.92Å; N76-F78 VanDerWaalsContact C-N 3.29Å; N76-F78 PolarHBondContact O-N 2.82Å; F78-L81 PolarHBondContact O-N 3.18Å; F78-M82 HydrophobicContact CD2-CE 4.26Å; F78-M82 HydrophobicContact CD2-CG 3.8Å; F78-M82 HydrophobicContact CD2-SD 4.49Å; F78-M82 HydrophobicContact CE1-CG 4.34Å; F78-M82 HydrophobicContact CE2-CE 3.88Å; F78-M82 HydrophobicContact CE2-CG 3.42Å; F78-M82 VanDerWaalsContact CE2-CG 3.42Å; F78-M82 HydrophobicContact CE2-SD 3.74Å; F78-M82 HydrophobicContact CG-CG 4.43Å; F78-M82 HydrophobicContact CZ-CG 3.74Å; F78-M82 HydrophobicContact CZ-SD 4.21Å; F78-M82 WeakPolarHBondContact O-CB 3.41Å; F78-M82 VanDerWaalsContact O-CG 3.3Å; F78-M82 WeakPolarHBondContact O-CG 3.44Å; F78-M82 PolarHBondContact O-N 3.05Å; F78-L92 HydrophobicContact CZ-CD2 3.71Å
79T98.3Very high98.1Very high80 Ų8058.2 Ų58.249%0.49131%0.312SS..Hα-helixtrans-61.4-50.2179.1-56.90000111.5S75 N76 L81 M82 E83S75-T79 WeakPolarHBondContact O-CB 3.31Å; S75-T79 PolarHBondContact O-N 2.84Å; S75-T79 PolarHBondContact O-OG1 3.13Å; N76-T79 PolarHBondContact O-N 3.02Å; N76-T79 VanDerWaalsContact O-N 3.15Å; T79-L81 VanDerWaalsContact C-N 3.29Å; T79-L81 PolarHBondContact O-N 3.38Å; T79-M82 PolarHBondContact O-N 2.92Å; T79-E83 PolarHBondContact O-N 2.9Å
80D98.1Very high98.2Very high83 Ų8355.1 Ų55.144%0.44428%0.284SS..Hα-helixtrans-60.6-39.5179.4-64.6-15.2000111.8N76 S84N76-D80 WeakPolarHBondContact O-CB 3.39Å; N76-D80 PolarHBondContact O-N 3.23Å; D80-S84 WeakPolarHBondContact O-CB 3.1Å; D80-S84 PolarHBondContact O-N 3.36Å; D80-S84 PolarHBondContact O-OG 3.1Å
81L98.3Very high98.2Very high0 Ų058.9 Ų58.90%030%0.302CS..Hα-helixtrans-65.9-48.7175.9178.964.4000111I31 Y34 V35 R77 F78 T79 E83 S84 L85 L155I31-L81 HydrophobicContact CB-CD2 4.25Å; I31-L81 HydrophobicContact CG1-CD2 4.25Å; I31-L81 HydrophobicContact CG2-CD2 3.85Å; Y34-L81 HydrophobicContact CD1-CB 3.98Å; Y34-L81 HydrophobicContact CD1-CD1 4.24Å; Y34-L81 HydrophobicContact CD1-CD2 3.57Å; Y34-L81 HydrophobicContact CD1-CG 4.14Å; Y34-L81 HydrophobicContact CE1-CB 3.84Å; Y34-L81 HydrophobicContact CE1-CD1 4.37Å; Y34-L81 HydrophobicContact CE1-CD2 4.29Å; Y34-L81 HydrophobicContact CE1-CG 4.39Å; Y34-L81 HydrophobicContact CG-CD1 4.44Å; Y34-L81 HydrophobicContact CG-CD2 3.98Å; V35-L81 HydrophobicContact CG2-CD2 4.45Å; R77-L81 VanDerWaalsContact O-CB 3.23Å; R77-L81 WeakPolarHBondContact O-CB 3.27Å; R77-L81 PolarHBondContact O-N 3.28Å; R77-L81 VanDerWaalsContact O-N 3.1Å; F78-L81 PolarHBondContact O-N 3.18Å; T79-L81 VanDerWaalsContact C-N 3.29Å; T79-L81 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 2.65Å; L81-S84 WeakPolarHBondContact O-CB 3.32Å; L81-S84 PolarHBondContact O-N 2.82Å; L81-L85 HydrophobicContact CD1-CD1 4.36Å; L81-L85 HydrophobicContact CD1-CG 4.25Å; L81-L85 HydrophobicContact CG-CD1 4.31Å; L81-L85 HydrophobicContact CG-CG 4.49Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.29Å; L81-L155 HydrophobicContact CD1-CD2 3.54Å
82M98.4Very high98.2Very high31 Ų3157 Ų5715%0.15330%0.298CS..Hα-helixtrans-64.1-35.6179.4-70.6-58.2101.200111.9I31 F78 T79 L85 G86 Y90 L92I31-M82 HydrophobicContact CD1-CE 4.38Å; I31-M82 HydrophobicContact CG2-CE 3.8Å; F78-M82 HydrophobicContact CD2-CE 4.26Å; F78-M82 HydrophobicContact CD2-CG 3.8Å; F78-M82 HydrophobicContact CD2-SD 4.49Å; F78-M82 HydrophobicContact CE1-CG 4.34Å; F78-M82 HydrophobicContact CE2-CE 3.88Å; F78-M82 HydrophobicContact CE2-CG 3.42Å; F78-M82 VanDerWaalsContact CE2-CG 3.42Å; F78-M82 HydrophobicContact CE2-SD 3.74Å; F78-M82 HydrophobicContact CG-CG 4.43Å; F78-M82 HydrophobicContact CZ-CG 3.74Å; F78-M82 HydrophobicContact CZ-SD 4.21Å; F78-M82 WeakPolarHBondContact O-CB 3.41Å; F78-M82 VanDerWaalsContact O-CG 3.3Å; F78-M82 WeakPolarHBondContact O-CG 3.44Å; F78-M82 PolarHBondContact O-N 3.05Å; T79-M82 PolarHBondContact O-N 2.92Å; M82-L85 HydrophobicContact CE-CD1 3.81Å; M82-G86 WeakPolarHBondContact O-CA 3.27Å; M82-G86 PolarHBondContact O-N 3.35Å; M82-Y90 HydrophobicContact SD-CD1 4.5Å; M82-Y90 HydrophobicContact SD-CE1 4.27Å; M82-L92 HydrophobicContact SD-CB 4.32Å; M82-L92 HydrophobicContact SD-CD1 4.18Å
83E98.4Very high98.2Very high106 Ų10656.3 Ų56.350%0.49531%0.307SS..Hα-helixtrans-64.4-44.3173.1-164-159.7138.800111.2T79 L81 G86 K87T79-E83 PolarHBondContact O-N 2.9Å; L81-E83 VanDerWaalsContact C-N 3.3Å; L81-E83 PolarHBondContact O-N 2.65Å; E83-G86 PolarHBondContact O-N 3.42Å; E83-K87 WeakPolarHBondContact O-CG 3.43Å; E83-K87 PolarHBondContact O-N 3.18Å; E83-K87 VanDerWaalsContact O-N 3.08Å; E83-K87 VanDerWaalsContact OE1-CE 3.26Å; E83-K87 WeakPolarHBondContact OE1-CE 3.49Å; E83-K87 IonicContact OE1-NZ 2.92Å; E83-K87 PolarHBondContact OE1-NZ 3.27Å
84S98.3Very high98.2Very high27 Ų2755.3 Ų55.319%0.18931%0.309CS..Hα-helixtrans-62.1-44.9177.7-59.80000112D80 L81 G86 K87D80-S84 WeakPolarHBondContact O-CB 3.1Å; D80-S84 PolarHBondContact O-N 3.36Å; D80-S84 PolarHBondContact O-OG 3.1Å; L81-S84 WeakPolarHBondContact O-CB 3.32Å; L81-S84 PolarHBondContact O-N 2.82Å; S84-G86 VanDerWaalsContact C-N 3.34Å; S84-K87 PolarHBondContact O-N 3.43Å
85L98.6Very high98.2Very high0 Ų055.4 Ų55.40%031%0.309CS..Hα-helixtrans-70-33175.6-62.9-175.5000111.6I31 L81 M82 K87 L88 G89 Y90 C151 Y154 L155I31-L85 HydrophobicContact CD1-CD1 3.79Å; I31-L85 HydrophobicContact CG1-CD1 4.01Å; L81-L85 HydrophobicContact CD1-CD1 4.36Å; L81-L85 HydrophobicContact CD1-CG 4.25Å; L81-L85 HydrophobicContact CG-CD1 4.31Å; L81-L85 HydrophobicContact CG-CG 4.49Å; L81-L85 WeakPolarHBondContact O-CG 3.47Å; L81-L85 PolarHBondContact O-N 3.29Å; M82-L85 HydrophobicContact CE-CD1 3.81Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.76Å; L85-L88 HydrophobicContact CD2-CD1 4.36Å; L85-L88 WeakPolarHBondContact O-CA 3.33Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 2.9Å; L85-G89 PolarHBondContact O-N 3.41Å; L85-Y90 HydrophobicContact CB-CD1 4.18Å; L85-Y90 HydrophobicContact CB-CG 4.1Å; L85-Y90 HydrophobicContact CD1-CD1 4.38Å; L85-Y90 VanDerWaalsContact O-CB 3.23Å; L85-Y90 WeakPolarHBondContact O-CB 3.39Å; L85-Y90 PolarHBondContact O-N 2.97Å; L85-C151 HydrophobicContact CD2-CB 4Å; L85-Y154 HydrophobicContact CD2-CD1 3.85Å; L85-Y154 HydrophobicContact CD2-CE1 4.35Å; L85-L155 HydrophobicContact CD2-CD2 4.21Å; L85-L155 HydrophobicContact CD2-CG 4.29Å
86G98.5Very high98.2Very high34 Ų3454 Ų5435%0.35130%0.299SS..Hα-helixtrans-60.2-35.117500000113.1M82 E83 S84 L88 G89 Y90M82-G86 WeakPolarHBondContact O-CA 3.27Å; M82-G86 PolarHBondContact O-N 3.35Å; E83-G86 PolarHBondContact O-N 3.42Å; S84-G86 VanDerWaalsContact C-N 3.34Å; G86-L88 PolarHBondContact O-N 3.36Å; G86-G89 WeakPolarHBondContact O-CA 3.18Å; G86-G89 PolarHBondContact O-N 2.95Å; G86-Y90 WeakPolarHBondContact CA-O 3.28Å
87K98.4Very high98.2Very high153 Ų15352.5 Ų52.567%0.66530%0.295SS*.THydrogen-bonded Turntrans-63.3-23.3172.4-69.3166.7-174.3164.20113.1E83 S84 L85 G89E83-K87 WeakPolarHBondContact O-CG 3.43Å; E83-K87 PolarHBondContact O-N 3.18Å; E83-K87 VanDerWaalsContact O-N 3.08Å; E83-K87 VanDerWaalsContact OE1-CE 3.26Å; E83-K87 WeakPolarHBondContact OE1-CE 3.49Å; E83-K87 IonicContact OE1-NZ 2.92Å; E83-K87 PolarHBondContact OE1-NZ 3.27Å; S84-K87 PolarHBondContact O-N 3.43Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.76Å; K87-G89 VanDerWaalsContact C-N 3.32Å
88L98.2Very high98.2Very high73 Ų7352 Ų5238%0.38229%0.293SS..THydrogen-bonded Turntrans-88.5-1.3172.2-54.9174000112.5L85 G86 Y154L85-L88 HydrophobicContact CD2-CD1 4.36Å; L85-L88 WeakPolarHBondContact O-CA 3.33Å; L85-L88 WeakPolarHBondContact O-CB 3.48Å; L85-L88 PolarHBondContact O-N 2.9Å; G86-L88 PolarHBondContact O-N 3.36Å; L88-Y154 HydrophobicContact CD1-CD1 4.34Å; L88-Y154 HydrophobicContact CD1-CD2 4.37Å; L88-Y154 HydrophobicContact CD1-CG 3.88Å
89G98.4Very high98.2Very high33 Ų3350.9 Ų50.934%0.3429%0.288SS..THydrogen-bonded Turntrans94.41.8-177.400000114.7L85 G86 K87 K91L85-G89 PolarHBondContact O-N 3.41Å; G86-G89 WeakPolarHBondContact O-CA 3.18Å; G86-G89 PolarHBondContact O-N 2.95Å; K87-G89 VanDerWaalsContact C-N 3.32Å; G89-K91 PolarHBondContact O-N 3.27Å
90Y98.6Very high98.2Very high10 Ų1052 Ų524%0.03929%0.288CS..  trans-65.1136.6178.1-168.9-92.8000110.9L27 L47 M82 L85 G86 L92 H95 L147L27-Y90 HydrophobicContact CD2-CD2 4.4Å; L27-Y90 HydrophobicContact CD2-CE2 3.83Å; L47-Y90 VanDerWaalsContact CD1-OH 3.28Å; L47-Y90 WeakPolarHBondContact CD1-OH 3.2Å; M82-Y90 HydrophobicContact SD-CD1 4.5Å; M82-Y90 HydrophobicContact SD-CE1 4.27Å; L85-Y90 HydrophobicContact CB-CD1 4.18Å; L85-Y90 HydrophobicContact CB-CG 4.1Å; L85-Y90 HydrophobicContact CD1-CD1 4.38Å; L85-Y90 VanDerWaalsContact O-CB 3.23Å; L85-Y90 WeakPolarHBondContact O-CB 3.39Å; L85-Y90 PolarHBondContact O-N 2.97Å; G86-Y90 WeakPolarHBondContact CA-O 3.28Å; Y90-L92 HydrophobicContact CE1-CB 4.46Å; Y90-L92 HydrophobicContact CE1-CD1 4.48Å; Y90-H95 HydrophobicContact CD2-CB 3.73Å; Y90-H95 AromaticContact CD2-CG 3.93Å; Y90-H95 HydrophobicContact CE1-CB 4.38Å; Y90-H95 HydrophobicContact CE2-CB 3.27Å; Y90-H95 HydrophobicContact CG-CB 4.46Å; Y90-L147 HydrophobicContact CD2-CD2 4.03Å
91K98.3Very high98.2Very high135 Ų13552.9 Ų52.959%0.58729%0.288SS*.  trans-131.3111.5178.6-63.5177.9-176.5-179.80107.9G89 A93 L94 H95G89-K91 PolarHBondContact O-N 3.27Å; K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.41Å; K91-L94 HydrophobicContact CB-CB 4.11Å; K91-L94 PolarHBondContact O-N 3.35Å; K91-H95 PolarHBondContact N-CE1 3.28Å; K91-H95 PolarHBondContact N-ND1 3.15Å; K91-H95 WeakPolarHBondContact O-CB 3.28Å; K91-H95 PolarHBondContact O-N 2.95Å; K91-H95 PolarHBondContact O-ND1 2.95Å
92L97.6Very high98.2Very high45 Ų4552.9 Ų52.924%0.23629%0.288CS..Hα-helixtrans-51.8-49.5-175.6-179.967.1000112.6L47 L48 F78 M82 Y90 L94 A96L47-L92 HydrophobicContact CB-CD1 3.82Å; L48-L92 HydrophobicContact CD2-CG 4.34Å; F78-L92 HydrophobicContact CZ-CD2 3.71Å; M82-L92 HydrophobicContact SD-CB 4.32Å; M82-L92 HydrophobicContact SD-CD1 4.18Å; Y90-L92 HydrophobicContact CE1-CB 4.46Å; Y90-L92 HydrophobicContact CE1-CD1 4.48Å; L92-L94 PolarHBondContact O-N 3.14Å; L92-A96 HydrophobicContact CD1-CB 4.15Å; L92-A96 VanDerWaalsContact O-CB 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.47Å; L92-A96 PolarHBondContact O-N 3.37Å; L92-A96 VanDerWaalsContact O-N 3.1Å
93A97.1Very high98.1Very high87 Ų8753 Ų5372%0.71929%0.29SS*.Hα-helixtrans-64.4-20.9-177.400000114.4K91K91-A93 VanDerWaalsContact C-N 3.32Å; K91-A93 PolarHBondContact O-N 3.41Å
94L98Very high98.1Very high90 Ų9053.6 Ų53.647%0.47130%0.297SS..Hα-helixtrans-98.2-50178.1177.366.2000111.3K91 L92 P97 F98K91-L94 HydrophobicContact CB-CB 4.11Å; K91-L94 PolarHBondContact O-N 3.35Å; L92-L94 PolarHBondContact O-N 3.14Å; L94-P97 WeakPolarHBondContact O-CD 3.37Å; L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 PolarHBondContact O-N 2.87Å
95H98.5Very high98Very high3 Ų355.4 Ų55.41%0.01431%0.309CS..Hα-helixtrans-85.2-24.7-165.9-61.689.9000112.9Y90 K91 F98 C99 D144Y90-H95 HydrophobicContact CD2-CB 3.73Å; Y90-H95 AromaticContact CD2-CG 3.93Å; Y90-H95 HydrophobicContact CE1-CB 4.38Å; Y90-H95 HydrophobicContact CE2-CB 3.27Å; Y90-H95 HydrophobicContact CG-CB 4.46Å; K91-H95 PolarHBondContact N-CE1 3.28Å; K91-H95 PolarHBondContact N-ND1 3.15Å; K91-H95 WeakPolarHBondContact O-CB 3.28Å; K91-H95 PolarHBondContact O-N 2.95Å; K91-H95 PolarHBondContact O-ND1 2.95Å; H95-F98 PolarHBondContact O-N 3.29Å; H95-C99 WeakPolarHBondContact O-CB 3.49Å; H95-C99 PolarHBondContact O-N 2.91Å; H95-C99 PolarHBondContact O-SG 3.31Å; H95-C99 VanDerWaalsContact O-SG 3.33Å; H95-D144 IonicContact NE2-OD1 3.12Å
96A97.9Very high97.9Very high7 Ų758.1 Ų58.16%0.05832%0.32CS..Hα-helixtrans-65.7-51172.700000112L47 L48 L92 F98 C99 E100L47-A96 HydrophobicContact CB-CB 3.74Å; L47-A96 HydrophobicContact CD1-CB 4.07Å; L47-A96 HydrophobicContact CG-CB 4.38Å; L48-A96 HydrophobicContact CD2-CB 3.98Å; L48-A96 HydrophobicContact CG-CB 4.06Å; L92-A96 HydrophobicContact CD1-CB 4.15Å; L92-A96 VanDerWaalsContact O-CB 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.47Å; L92-A96 PolarHBondContact O-N 3.37Å; L92-A96 VanDerWaalsContact O-N 3.1Å; A96-F98 PolarHBondContact O-N 2.7Å; A96-C99 PolarHBondContact O-N 3.09Å; A96-E100 PolarHBondContact O-N 2.87Å; A96-E100 VanDerWaalsContact O-N 3.1Å
97P98.1Very high97.7Very high51 Ų5157.3 Ų57.333%0.33131%0.312SS..Hα-helixtrans-58.9-35.5171.3-23.731.8000113.3L48 L94 E100 F101L48-P97 HydrophobicContact CD1-CG 4.19Å; L94-P97 WeakPolarHBondContact O-CD 3.37Å; P97-E100 PolarHBondContact O-N 3.33Å; P97-F101 WeakPolarHBondContact O-CB 3.3Å; P97-F101 PolarHBondContact O-N 2.58Å
98F98.5Very high97.5Very high21 Ų2152.8 Ų52.89%0.09229%0.294CS..Hα-helixtrans-63.5-47.4175.7174.9-96.3000112L94 H95 A96 E100 F101 I102 L141 D144 M145 V148L94-F98 WeakPolarHBondContact O-CB 3.4Å; L94-F98 PolarHBondContact O-N 2.87Å; H95-F98 PolarHBondContact O-N 3.29Å; A96-F98 PolarHBondContact O-N 2.7Å; F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 PolarHBondContact O-N 3.05Å; F98-F101 WeakPolarHBondContact O-CB 3.44Å; F98-F101 PolarHBondContact O-N 2.78Å; F98-I102 HydrophobicContact CD1-CG1 4.14Å; F98-I102 HydrophobicContact CD2-CG1 4.38Å; F98-I102 HydrophobicContact CE1-CD1 4.41Å; F98-I102 HydrophobicContact CE1-CG1 3.77Å; F98-I102 HydrophobicContact CE2-CD1 4.08Å; F98-I102 HydrophobicContact CE2-CG1 4.04Å; F98-I102 HydrophobicContact CG-CG1 4.43Å; F98-I102 HydrophobicContact CZ-CD1 3.87Å; F98-I102 HydrophobicContact CZ-CG1 3.72Å; F98-I102 VanDerWaalsContact O-CG1 3.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 2.59Å; F98-L141 HydrophobicContact CE2-CB 4.38Å; F98-L141 HydrophobicContact CE2-CD2 4.03Å; F98-D144 HydrophobicContact CD1-CB 4.21Å; F98-D144 HydrophobicContact CD2-CB 4.18Å; F98-D144 HydrophobicContact CE1-CB 3.77Å; F98-D144 HydrophobicContact CE2-CB 3.73Å; F98-D144 HydrophobicContact CG-CB 4.39Å; F98-D144 HydrophobicContact CZ-CB 3.51Å; F98-M145 HydrophobicContact CE1-CG 4.26Å; F98-M145 HydrophobicContact CE1-SD 3.64Å; F98-M145 HydrophobicContact CZ-CG 3.84Å; F98-M145 HydrophobicContact CZ-SD 3.72Å; F98-V148 HydrophobicContact CD1-CG2 4.05Å; F98-V148 HydrophobicContact CE1-CG2 3.99Å
99C98.3Very high97.2Very high0 Ų049.9 Ų49.90%028%0.279CS..Hα-helixtrans-57.3-47.1175.9-77.20000111.2A24 D28 H95 A96 F101 I102 V103A24-C99 HydrophobicContact CB-CB 3.99Å; D28-C99 WeakPolarHBondContact OD1-CB 3.43Å; D28-C99 PolarHBondContact OD1-SG 2.84Å; H95-C99 WeakPolarHBondContact O-CB 3.49Å; H95-C99 PolarHBondContact O-N 2.91Å; H95-C99 PolarHBondContact O-SG 3.31Å; H95-C99 VanDerWaalsContact O-SG 3.33Å; A96-C99 PolarHBondContact O-N 3.09Å; C99-F101 PolarHBondContact O-N 2.92Å; C99-I102 PolarHBondContact O-N 3.33Å; C99-V103 WeakPolarHBondContact O-CG2 3.28Å; C99-V103 PolarHBondContact O-N 3.5Å
100E97.2Very high96.7Very high102 Ų10256.4 Ų56.448%0.47730%0.298SS..Hα-helixtrans-58-47.5176179.3176.2-168.400111.6A96 P97 F98 I102 V103 N104A96-E100 PolarHBondContact O-N 2.87Å; A96-E100 VanDerWaalsContact O-N 3.1Å; P97-E100 PolarHBondContact O-N 3.33Å; F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 PolarHBondContact O-N 3.05Å; E100-I102 VanDerWaalsContact C-N 3.34Å; E100-I102 PolarHBondContact O-N 3.06Å; E100-V103 PolarHBondContact O-N 3.03Å; E100-N104 WeakPolarHBondContact O-CB 3.42Å; E100-N104 VanDerWaalsContact O-CG 3.26Å; E100-N104 PolarHBondContact O-N 2.95Å; E100-N104 PolarHBondContact O-ND2 3.48Å
101F98Very high96Very high103 Ų10363.6 Ų63.645%0.45233%0.332SS..Hα-helixtrans-57.6-44.7175.6166.7-101.6000112.2P97 F98 C99 N104 S105 L141P97-F101 WeakPolarHBondContact O-CB 3.3Å; P97-F101 PolarHBondContact O-N 2.58Å; F98-F101 WeakPolarHBondContact O-CB 3.44Å; F98-F101 PolarHBondContact O-N 2.78Å; C99-F101 PolarHBondContact O-N 2.92Å; F101-N104 PolarHBondContact O-N 3.18Å; F101-S105 VanDerWaalsContact CE2-OG 3.27Å; F101-S105 WeakPolarHBondContact CE2-OG 3.24Å; F101-S105 WeakPolarHBondContact CZ-OG 3.27Å; F101-S105 VanDerWaalsContact O-CB 3.22Å; F101-S105 WeakPolarHBondContact O-CB 3.41Å; F101-S105 PolarHBondContact O-N 3.35Å; F101-S105 PolarHBondContact O-OG 2.87Å; F101-L141 HydrophobicContact CE1-CD1 4.12Å; F101-L141 HydrophobicContact CE1-CD2 4.24Å
102I98.3Very high95.1Very high0 Ų062.2 Ų62.20%032%0.323CS..Hα-helixtrans-65.4-45.2179.5-67.9-66.7000110.9L20 A24 F98 C99 E100 N104 S105 Y106 L141 M145L20-I102 VanDerWaalsContact C-CG2 3.49Å; L20-I102 HydrophobicContact CB-CG2 4.08Å; L20-I102 VanDerWaalsContact O-CG2 3.3Å; L20-I102 WeakPolarHBondContact O-CG2 3.45Å; A24-I102 HydrophobicContact CB-CB 4.19Å; A24-I102 HydrophobicContact CB-CG2 3.96Å; F98-I102 HydrophobicContact CD1-CG1 4.14Å; F98-I102 HydrophobicContact CD2-CG1 4.38Å; F98-I102 HydrophobicContact CE1-CD1 4.41Å; F98-I102 HydrophobicContact CE1-CG1 3.77Å; F98-I102 HydrophobicContact CE2-CD1 4.08Å; F98-I102 HydrophobicContact CE2-CG1 4.04Å; F98-I102 HydrophobicContact CG-CG1 4.43Å; F98-I102 HydrophobicContact CZ-CD1 3.87Å; F98-I102 HydrophobicContact CZ-CG1 3.72Å; F98-I102 VanDerWaalsContact O-CG1 3.27Å; F98-I102 WeakPolarHBondContact O-CG1 3.49Å; F98-I102 PolarHBondContact O-N 2.59Å; C99-I102 PolarHBondContact O-N 3.33Å; E100-I102 VanDerWaalsContact C-N 3.34Å; E100-I102 PolarHBondContact O-N 3.06Å; I102-N104 PolarHBondContact O-N 3.39Å; I102-S105 PolarHBondContact O-N 3.05Å; I102-Y106 HydrophobicContact CD1-CD2 4.28Å; I102-Y106 HydrophobicContact CD1-CE2 3.95Å; I102-Y106 HydrophobicContact CG2-CD2 4.14Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.15Å; I102-L141 HydrophobicContact CD1-CD1 3.96Å; I102-M145 HydrophobicContact CB-SD 4.4Å; I102-M145 HydrophobicContact CD1-CG 4.47Å; I102-M145 HydrophobicContact CD1-SD 3.82Å; I102-M145 HydrophobicContact CG1-SD 3.75Å; I102-M145 HydrophobicContact CG2-CE 4.42Å; I102-M145 HydrophobicContact CG2-SD 3.87Å
103V97.4Very high94.4Very high32 Ų3260.3 Ų60.319%0.19431%0.314CS..Hα-helixtrans-60.2-46.2176.1170.80000111G21 A24 C99 E100 S105 G107 I108G21-V103 WeakPolarHBondContact O-CG2 3.46Å; A24-V103 HydrophobicContact CB-CG2 4Å; C99-V103 WeakPolarHBondContact O-CG2 3.28Å; C99-V103 PolarHBondContact O-N 3.5Å; E100-V103 PolarHBondContact O-N 3.03Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.32Å; V103-G107 WeakPolarHBondContact O-CA 3.32Å; V103-G107 PolarHBondContact O-N 2.86Å; V103-I108 HydrophobicContact CG1-CG2 4.17Å
104N97Very high93.6Very high120 Ų12066.2 Ų66.264%0.64232%0.317SS*.Hα-helixtrans-67.3-33.5180-71.3-21.3000112.6E100 F101 I102E100-N104 WeakPolarHBondContact O-CB 3.42Å; E100-N104 VanDerWaalsContact O-CG 3.26Å; E100-N104 PolarHBondContact O-N 2.95Å; E100-N104 PolarHBondContact O-ND2 3.48Å; F101-N104 PolarHBondContact O-N 3.18Å; I102-N104 PolarHBondContact O-N 3.39Å
105S97.4Very high92.8Very high64 Ų6468.9 Ų68.945%0.44833%0.325SS..Hα-helixtrans-80.1-42-177.6-60.20000113.2F101 I102 V103F101-S105 VanDerWaalsContact CE2-OG 3.27Å; F101-S105 WeakPolarHBondContact CE2-OG 3.24Å; F101-S105 WeakPolarHBondContact CZ-OG 3.27Å; F101-S105 VanDerWaalsContact O-CB 3.22Å; F101-S105 WeakPolarHBondContact O-CB 3.41Å; F101-S105 PolarHBondContact O-N 3.35Å; F101-S105 PolarHBondContact O-OG 2.87Å; I102-S105 PolarHBondContact O-N 3.05Å; V103-S105 VanDerWaalsContact C-N 3.32Å; V103-S105 PolarHBondContact O-N 3.32Å
106Y96.1Very high91.9Very high57 Ų5772.3 Ų72.322%0.22436%0.361CS..Hα-helixtrans-105.1-19-172.4-65.4-86.5000113.1P17 R18 L20 I102 P138 L141P17-Y106 HydrophobicContact CB-CD1 4.17Å; R18-Y106 VanDerWaalsContact CG-O 3.26Å; R18-Y106 WeakPolarHBondContact CG-O 3.32Å; L20-Y106 HydrophobicContact CB-CD2 4.35Å; L20-Y106 HydrophobicContact CB-CG 4.21Å; L20-Y106 HydrophobicContact CD1-CD1 3.93Å; L20-Y106 HydrophobicContact CD1-CD2 4.42Å; L20-Y106 HydrophobicContact CD1-CE1 3.75Å; L20-Y106 HydrophobicContact CD1-CE2 4.28Å; L20-Y106 HydrophobicContact CD1-CG 4.27Å; I102-Y106 HydrophobicContact CD1-CD2 4.28Å; I102-Y106 HydrophobicContact CD1-CE2 3.95Å; I102-Y106 HydrophobicContact CG2-CD2 4.14Å; I102-Y106 WeakPolarHBondContact O-CD2 3.42Å; I102-Y106 PolarHBondContact O-N 3.15Å; Y106-P138 WeakPolarHBondContact OH-CD 3.4Å; Y106-P138 WeakPolarHBondContact OH-CG 3.48Å; Y106-L141 HydrophobicContact CE2-CD1 4.46Å
107G95.4Very high91.4Very high18 Ų1873.7 Ų73.719%0.18637%0.371CS..  trans68.6166.3-169.900000112.8G21 V103G21-G107 WeakPolarHBondContact CA-O 3.23Å; V103-G107 WeakPolarHBondContact O-CA 3.32Å; V103-G107 PolarHBondContact O-N 2.86Å
108I94.3Very high90.8Very high57 Ų5775.7 Ų75.729%0.29239%0.386SS..  trans-88.7168.1170.763.1172.6000110.9R18 E22 Y25 V103R18-I108 VanDerWaalsContact CD-O 3.32Å; R18-I108 WeakPolarHBondContact CD-O 3.37Å; R18-I108 PolarHBondContact NH1-O 3.31Å; E22-I108 WeakPolarHBondContact OE2-CB 3.35Å; Y25-I108 HydrophobicContact CD1-CG2 4.26Å; Y25-I108 HydrophobicContact CD2-CG2 4.31Å; Y25-I108 HydrophobicContact CG-CG2 3.83Å; V103-I108 HydrophobicContact CG1-CG2 4.17Å
109L91.9Very high90.3Very high13 Ų1378.7 Ų78.77%0.06840%0.4CS..  trans-61.8142.8173.2-71.1175.6000109.5R18 L19 E22 Y123 L164 W166R18-L109 HydrophobicContact CB-CD2 3.9Å; R18-L109 HydrophobicContact CB-CG 4.5Å; L19-L109 HydrophobicContact CD2-CD1 3.82Å; L19-L109 HydrophobicContact CD2-CD2 4.41Å; L19-L109 HydrophobicContact CD2-CG 4.38Å; E22-L109 HydrophobicContact CB-CD1 4.39Å; E22-L109 HydrophobicContact CB-CG 4.16Å; E22-L109 HydrophobicContact CG-CD1 4Å; E22-L109 HydrophobicContact CG-CG 4.17Å; E22-L109 PolarHBondContact OE2-N 3.08Å; L109-Y123 HydrophobicContact CD1-CD2 3.89Å; L109-Y123 HydrophobicContact CD1-CE2 3.82Å; L109-Y123 HydrophobicContact CD2-CE2 4.42Å; L109-L164 HydrophobicContact CD1-CD1 4.32Å; L109-W166 HydrophobicContact CB-CH2 3.48Å; L109-W166 VanDerWaalsContact CB-CH2 3.48Å; L109-W166 HydrophobicContact CB-CZ2 3.51Å; L109-W166 HydrophobicContact CD1-CZ2 3.84Å; L109-W166 HydrophobicContact CG-CZ2 4.31Å; L109-W166 WeakPolarHBondContact O-CH2 3.43Å
110K86.1Confident89.7Confident169 Ų16982 Ų8274%0.73541%0.413SS*.SBendtrans-84.7-29.6179.6-66.7-175177.8-177.10112.5
111E83.8Confident89.3Confident161 Ų16179.7 Ų79.775%0.75241%0.411SS*.SBendtrans-128.8138.1-174.3-67.3178.2-167.300109.4P113E111-P113 WeakPolarHBondContact O-CD 3.5Å
112R80.1Confident89Confident106 Ų10678.4 Ų78.440%0.441%0.406SS..PPolyproline II helixtrans-73.8123.8172.7176.5-176.6-172.3145.320108.7R114 K115 W166R112-R114 PolarHBondContact O-N 3.37Å; R112-K115 VanDerWaalsContact NH2-CE 3.27Å; R112-W166 HydrophobicContact CB-CB 4.45Å; R112-W166 HydrophobicContact CB-CD2 3.91Å; R112-W166 HydrophobicContact CB-CE3 4.28Å; R112-W166 HydrophobicContact CB-CG 4.03Å; R112-W166 HydrophobicContact CG-CB 3.93Å; R112-W166 HydrophobicContact CG-CD2 4.07Å; R112-W166 HydrophobicContact CG-CG 3.66Å; R112-W166 PolarHBondContact NH1-O 3.07Å; R112-W166 PolarHBondContact NH2-O 3.46Å
113P82.6Confident88.7Confident5 Ų579 Ų793%0.03241%0.409CS..PPolyproline II helixtrans-56.1134.7170-22.331.3000110.6E111 K115 Q119 W120 Y123E111-P113 WeakPolarHBondContact O-CD 3.5Å; P113-K115 PolarHBondContact O-N 2.97Å; P113-Q119 HydrophobicContact CB-CG 4.21Å; P113-Q119 HydrophobicContact CG-CG 4.31Å; P113-W120 HydrophobicContact CB-CB 4Å; P113-Y123 HydrophobicContact CG-CD2 3.52Å; P113-Y123 HydrophobicContact CG-CE2 3.82Å
114R81.8Confident88.5Confident212 Ų21278.8 Ų78.880%0.841%0.407SS*.PPolyproline II helixtrans-58.5127.3178.3-174.4177.5177.5-177.7-0.2109.5R112 G116 S117 W120R112-R114 PolarHBondContact O-N 3.37Å; R114-G116 PolarHBondContact O-N 3.38Å; R114-S117 VanDerWaalsContact O-CB 3.27Å; R114-S117 WeakPolarHBondContact O-CB 3.39Å; R114-S117 PolarHBondContact O-N 3.5Å; R114-S117 PolarHBondContact O-OG 2.9Å; R114-W120 WeakPolarHBondContact O-CB 3.45Å
115K80.9Confident88.3Confident145 Ų14576.3 Ų76.363%0.6339%0.393SS*.THydrogen-bonded Turntrans-53.7132.1175.7-72-176.4-179.6178.60109.7R112 P113 S117R112-K115 VanDerWaalsContact NH2-CE 3.27Å; P113-K115 PolarHBondContact O-N 2.97Å; K115-S117 VanDerWaalsContact C-N 3.34Å
116G79.3Confident88.3Confident75 Ų7575.8 Ų75.877%0.77339%0.388SS*.THydrogen-bonded Turntrans83.5-1.3-177.700000115.5R114R114-G116 PolarHBondContact O-N 3.38Å
117S86.3Confident88.3Confident37 Ų3778 Ų7826%0.25940%0.404SS..SBendtrans-75.1158.4169.3650000111.8R114 K115 Q119 W120 A121R114-S117 VanDerWaalsContact O-CB 3.27Å; R114-S117 WeakPolarHBondContact O-CB 3.39Å; R114-S117 PolarHBondContact O-N 3.5Å; R114-S117 PolarHBondContact O-OG 2.9Å; K115-S117 VanDerWaalsContact C-N 3.34Å; S117-Q119 VanDerWaalsContact C-N 3.28Å; S117-Q119 PolarHBondContact O-N 3.39Å; S117-W120 WeakPolarHBondContact O-CB 3.26Å; S117-W120 PolarHBondContact O-N 3.28Å; S117-W120 VanDerWaalsContact O-N 3.17Å; S117-W120 WeakPolarHBondContact OG-CB 3.29Å; S117-W120 PolarHBondContact OG-N 3.08Å; S117-W120 VanDerWaalsContact OG-N 3.16Å; S117-A121 PolarHBondContact O-N 3.45Å; S117-A121 VanDerWaalsContact O-N 3.15Å
118S86.2Confident88.3Confident93 Ų9378.4 Ų78.465%0.6540%0.401SS*.Hα-helixtrans-55.7-44.3172.251.40000111.8W120 A121 E122S118-W120 VanDerWaalsContact C-N 3.32Å; S118-W120 PolarHBondContact O-N 3.24Å; S118-A121 WeakPolarHBondContact O-CB 3.48Å; S118-A121 PolarHBondContact O-N 3.02Å; S118-A121 VanDerWaalsContact O-N 3.11Å; S118-E122 WeakPolarHBondContact O-CG 3.5Å; S118-E122 PolarHBondContact O-N 2.98Å
119Q87Confident88.4Confident83 Ų8375.7 Ų75.739%0.38839%0.387SS..Hα-helixtrans-59.5-41.2176.9-173.8-177.274.600112.3P113 S117 A121 E122 Y123P113-Q119 HydrophobicContact CB-CG 4.21Å; P113-Q119 HydrophobicContact CG-CG 4.31Å; S117-Q119 VanDerWaalsContact C-N 3.28Å; S117-Q119 PolarHBondContact O-N 3.39Å; Q119-A121 VanDerWaalsContact C-N 3.32Å; Q119-A121 PolarHBondContact O-N 3.31Å; Q119-E122 PolarHBondContact O-N 3.41Å; Q119-Y123 HydrophobicContact CG-CD1 4.23Å; Q119-Y123 HydrophobicContact CG-CD2 4.08Å; Q119-Y123 HydrophobicContact CG-CE1 3.79Å; Q119-Y123 HydrophobicContact CG-CE2 3.62Å; Q119-Y123 HydrophobicContact CG-CG 4.35Å; Q119-Y123 VanDerWaalsContact CG-CZ 3.46Å; Q119-Y123 PolarHBondContact NE2-OH 3.08Å; Q119-Y123 WeakPolarHBondContact O-CB 3.34Å; Q119-Y123 WeakPolarHBondContact O-CD1 3.45Å; Q119-Y123 VanDerWaalsContact O-CG 3.28Å; Q119-Y123 PolarHBondContact O-N 2.95Å
120W87.6Confident88.7Confident70 Ų7078 Ų7827%0.26540%0.398SS..Hα-helixtrans-62.8-40.2176.2-176.691.4000111.8P113 R114 S117 S118 N124 P162P113-W120 HydrophobicContact CB-CB 4Å; R114-W120 WeakPolarHBondContact O-CB 3.45Å; S117-W120 WeakPolarHBondContact O-CB 3.26Å; S117-W120 PolarHBondContact O-N 3.28Å; S117-W120 VanDerWaalsContact O-N 3.17Å; S117-W120 WeakPolarHBondContact OG-CB 3.29Å; S117-W120 PolarHBondContact OG-N 3.08Å; S117-W120 VanDerWaalsContact OG-N 3.16Å; S118-W120 VanDerWaalsContact C-N 3.32Å; S118-W120 PolarHBondContact O-N 3.24Å; W120-N124 PolarHBondContact O-N 2.82Å; W120-N124 PolarHBondContact O-ND2 3.36Å; W120-P162 HydrophobicContact CH2-CB 4.44Å; W120-P162 HydrophobicContact CZ2-CB 3.91Å; W120-P162 HydrophobicContact CZ2-CG 4.34Å
121A88.9Confident89.2Confident54 Ų5475.6 Ų75.645%0.44639%0.388SS..Hα-helixtrans-67.1-44.1177.600000111.9S117 S118 Q119 N124 N125S117-A121 PolarHBondContact O-N 3.45Å; S117-A121 VanDerWaalsContact O-N 3.15Å; S118-A121 WeakPolarHBondContact O-CB 3.48Å; S118-A121 PolarHBondContact O-N 3.02Å; S118-A121 VanDerWaalsContact O-N 3.11Å; Q119-A121 VanDerWaalsContact C-N 3.32Å; Q119-A121 PolarHBondContact O-N 3.31Å; A121-N124 CarbonylContact O-C 3.57Å; A121-N124 PolarHBondContact O-N 3.47Å; A121-N125 PolarHBondContact O-N 3.17Å
122E91.2Very high89.7Confident75 Ų7568 Ų6835%0.3535%0.352SS..Hα-helixtrans-60.1-47.2176.2-73.2176.3177.500111.8S118 Q119 N124 N125 F128S118-E122 WeakPolarHBondContact O-CG 3.5Å; S118-E122 PolarHBondContact O-N 2.98Å; Q119-E122 PolarHBondContact O-N 3.41Å; E122-N124 PolarHBondContact O-N 3.28Å; E122-N124 VanDerWaalsContact O-N 3.15Å; E122-N125 WeakPolarHBondContact O-CB 3.48Å; E122-N125 PolarHBondContact O-N 3.47Å; E122-F128 HydrophobicContact CB-CD1 4.13Å; E122-F128 HydrophobicContact CB-CD2 4.26Å; E122-F128 HydrophobicContact CB-CE1 4.21Å; E122-F128 HydrophobicContact CB-CE2 4.32Å; E122-F128 HydrophobicContact CB-CG 4.16Å; E122-F128 HydrophobicContact CB-CZ 4.3Å; E122-F128 HydrophobicContact CG-CD2 4.42Å; E122-F128 WeakPolarHBondContact O-CD1 3.34Å
123Y91.5Very high90.5Very high14 Ų1462.9 Ų62.96%0.05533%0.333CS..Hα-helixtrans-69.5-14.3-177-72.49.7000113.1L19 L109 P113 Q119 F128 L164L19-Y123 HydrophobicContact CD1-CD1 4.01Å; L19-Y123 HydrophobicContact CD1-CE1 3.7Å; L19-Y123 HydrophobicContact CD2-CD1 4.13Å; L19-Y123 HydrophobicContact CD2-CD2 3.77Å; L19-Y123 HydrophobicContact CD2-CE1 4.27Å; L19-Y123 HydrophobicContact CD2-CE2 3.93Å; L19-Y123 HydrophobicContact CD2-CG 3.9Å; L19-Y123 HydrophobicContact CG-CE1 4.47Å; L109-Y123 HydrophobicContact CD1-CD2 3.89Å; L109-Y123 HydrophobicContact CD1-CE2 3.82Å; L109-Y123 HydrophobicContact CD2-CE2 4.42Å; P113-Y123 HydrophobicContact CG-CD2 3.52Å; P113-Y123 HydrophobicContact CG-CE2 3.82Å; Q119-Y123 HydrophobicContact CG-CD1 4.23Å; Q119-Y123 HydrophobicContact CG-CD2 4.08Å; Q119-Y123 HydrophobicContact CG-CE1 3.79Å; Q119-Y123 HydrophobicContact CG-CE2 3.62Å; Q119-Y123 HydrophobicContact CG-CG 4.35Å; Q119-Y123 VanDerWaalsContact CG-CZ 3.46Å; Q119-Y123 PolarHBondContact NE2-OH 3.08Å; Q119-Y123 WeakPolarHBondContact O-CB 3.34Å; Q119-Y123 WeakPolarHBondContact O-CD1 3.45Å; Q119-Y123 VanDerWaalsContact O-CG 3.28Å; Q119-Y123 PolarHBondContact O-N 2.95Å; Y123-F128 AromaticContact CD1-CE1 3.88Å; Y123-F128 HydrophobicContact CD1-CE1 3.88Å; Y123-F128 HydrophobicContact CE1-CE1 4.14Å; Y123-F128 HydrophobicContact CE1-CZ 4.43Å; Y123-L164 HydrophobicContact CD2-CD1 4.21Å; Y123-L164 HydrophobicContact CG-CD1 4.27Å; Y123-L164 WeakPolarHBondContact O-CG 3.3Å
124N92.4Very high91.2Very high27 Ų2767.4 Ų67.414%0.14435%0.354CS..THydrogen-bonded Turntrans-106.712.3173.6-69.9-75000113.1W120 A121 E122 P162 L163 L164W120-N124 PolarHBondContact O-N 2.82Å; W120-N124 PolarHBondContact O-ND2 3.36Å; A121-N124 CarbonylContact O-C 3.57Å; A121-N124 PolarHBondContact O-N 3.47Å; E122-N124 PolarHBondContact O-N 3.28Å; E122-N124 VanDerWaalsContact O-N 3.15Å; N124-P162 WeakPolarHBondContact OD1-CB 3.46Å; N124-L163 PolarHBondContact OD1-N 3.41Å; N124-L164 PolarHBondContact OD1-N 2.9Å
125N94.6Very high91.8Very high67 Ų6762.3 Ų62.336%0.35834%0.343SS..  trans-100.7115.3175.2-178-20.6000110.5A121 E122 D127 F128 L129A121-N125 PolarHBondContact O-N 3.17Å; E122-N125 WeakPolarHBondContact O-CB 3.48Å; E122-N125 PolarHBondContact O-N 3.47Å; N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 2.84Å; N125-D127 WeakPolarHBondContact OD1-CB 3.46Å; N125-D127 PolarHBondContact OD1-N 3.04Å; N125-F128 HydrophobicContact CB-CB 4.03Å; N125-F128 PolarHBondContact O-N 3.39Å; N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.98Å; N125-L129 VanDerWaalsContact O-N 3.13Å
126P96.3Very high92.4Very high53 Ų5357.6 Ų57.634%0.34432%0.324SS..Hα-helixtrans-53.7-42.5177.5-24.731.8000114.2F128 L129 I130 L163P126-F128 VanDerWaalsContact C-N 3.31Å; P126-F128 PolarHBondContact O-N 3.48Å; P126-L129 PolarHBondContact O-N 2.98Å; P126-L129 VanDerWaalsContact O-N 3.15Å; P126-I130 VanDerWaalsContact O-CG1 3.31Å; P126-I130 WeakPolarHBondContact O-CG1 3.3Å; P126-I130 PolarHBondContact O-N 2.86Å; P126-L163 HydrophobicContact CG-CD1 4.08Å
127D96.6Very high93.1Very high105 Ų10554.2 Ų54.256%0.56129%0.289SS*.Hα-helixtrans-66.5-36.2-176.6-64.9-29000111.7N125 K131N125-D127 VanDerWaalsContact C-N 3.32Å; N125-D127 PolarHBondContact O-N 2.84Å; N125-D127 WeakPolarHBondContact OD1-CB 3.46Å; N125-D127 PolarHBondContact OD1-N 3.04Å; D127-K131 WeakPolarHBondContact O-CG 3.46Å; D127-K131 PolarHBondContact O-N 3.34Å
128F95.4Very high93.6Very high26 Ų2655.4 Ų55.411%0.11430%0.295CS..Hα-helixtrans-64.7-46173.2173.6-94.7000110.7F13 L19 E122 Y123 N125 P126 K131 M132F13-F128 HydrophobicContact CE2-CE2 4.46Å; F13-F128 HydrophobicContact CZ-CD2 4.34Å; F13-F128 AromaticContact CZ-CE2 3.99Å; F13-F128 HydrophobicContact CZ-CE2 3.99Å; F13-F128 HydrophobicContact CZ-CZ 4.32Å; L19-F128 HydrophobicContact CD1-CE1 4.22Å; E122-F128 HydrophobicContact CB-CD1 4.13Å; E122-F128 HydrophobicContact CB-CD2 4.26Å; E122-F128 HydrophobicContact CB-CE1 4.21Å; E122-F128 HydrophobicContact CB-CE2 4.32Å; E122-F128 HydrophobicContact CB-CG 4.16Å; E122-F128 HydrophobicContact CB-CZ 4.3Å; E122-F128 HydrophobicContact CG-CD2 4.42Å; E122-F128 WeakPolarHBondContact O-CD1 3.34Å; Y123-F128 AromaticContact CD1-CE1 3.88Å; Y123-F128 HydrophobicContact CD1-CE1 3.88Å; Y123-F128 HydrophobicContact CE1-CE1 4.14Å; Y123-F128 HydrophobicContact CE1-CZ 4.43Å; N125-F128 HydrophobicContact CB-CB 4.03Å; N125-F128 PolarHBondContact O-N 3.39Å; P126-F128 VanDerWaalsContact C-N 3.31Å; P126-F128 PolarHBondContact O-N 3.48Å; F128-K131 PolarHBondContact O-N 2.97Å; F128-M132 WeakPolarHBondContact O-CB 3.47Å; F128-M132 PolarHBondContact O-N 3.43Å
129L96.4Very high94.1Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-67.4-35.9-179-63.7178.5000112.6I23 N125 P126 M132 I133 L149 L163I23-L129 HydrophobicContact CD1-CB 4.42Å; I23-L129 HydrophobicContact CD1-CD1 4.39Å; I23-L129 HydrophobicContact CD1-CD2 4.31Å; N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.98Å; N125-L129 VanDerWaalsContact O-N 3.13Å; P126-L129 PolarHBondContact O-N 2.98Å; P126-L129 VanDerWaalsContact O-N 3.15Å; L129-M132 HydrophobicContact CD2-CE 4.11Å; L129-M132 WeakPolarHBondContact O-CB 3.39Å; L129-M132 PolarHBondContact O-N 3.49Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.27Å; L129-L149 HydrophobicContact CB-CD1 4.15Å; L129-L149 HydrophobicContact CB-CD2 3.68Å; L129-L149 HydrophobicContact CD1-CD1 3.75Å; L129-L163 HydrophobicContact CD1-CD1 3.81Å
130I97.4Very high94.5Very high60 Ų6069 Ų6931%0.30833%0.329SS..Hα-helixtrans-59.9-54.9173.1-70.9165.3000109.8P126 M132 I133 E134 L146 L149P126-I130 VanDerWaalsContact O-CG1 3.31Å; P126-I130 WeakPolarHBondContact O-CG1 3.3Å; P126-I130 PolarHBondContact O-N 2.86Å; I130-M132 PolarHBondContact O-N 3.33Å; I130-I133 PolarHBondContact O-N 2.89Å; I130-I133 VanDerWaalsContact O-N 3.11Å; I130-E134 WeakPolarHBondContact O-CG 3.28Å; I130-E134 PolarHBondContact O-N 3.1Å; I130-L146 HydrophobicContact CB-CD2 4.36Å; I130-L146 HydrophobicContact CG1-CD2 4.2Å; I130-L146 HydrophobicContact CG2-CD2 4.05Å; I130-L149 HydrophobicContact CG1-CD2 3.76Å
131K96.1Very high95Very high120 Ų12067.2 Ų67.252%0.52232%0.324SS..Hα-helixtrans-58.6-34.3177.4-70.1174.4-176.7175.60111.7F13 D127 F128 N135F13-K131 HydrophobicContact CE2-CB 3.89Å; F13-K131 HydrophobicContact CZ-CB 4.19Å; D127-K131 WeakPolarHBondContact O-CG 3.46Å; D127-K131 PolarHBondContact O-N 3.34Å; F128-K131 PolarHBondContact O-N 2.97Å; K131-N135 WeakPolarHBondContact O-CB 3.37Å; K131-N135 VanDerWaalsContact O-CG 3.32Å; K131-N135 PolarHBondContact O-N 3.41Å; K131-N135 VanDerWaalsContact O-N 3.15Å; K131-N135 PolarHBondContact O-ND2 2.72Å
132M95.8Very high95.4Very high0 Ų066.9 Ų66.90%031%0.314CS..Hα-helixtrans-65.4-46.9176.1-175.5-84.2-62.200112.4F13 L19 L20 I23 F128 L129 I130 E134 N135 I136F13-M132 HydrophobicContact CE1-CB 3.46Å; F13-M132 VanDerWaalsContact CE1-CB 3.46Å; F13-M132 HydrophobicContact CE1-CG 3.67Å; F13-M132 HydrophobicContact CZ-CB 3.57Å; F13-M132 HydrophobicContact CZ-CG 4.27Å; L19-M132 HydrophobicContact CB-CE 3.33Å; L19-M132 HydrophobicContact CB-SD 4.03Å; L19-M132 HydrophobicContact CD1-CE 4.08Å; L19-M132 HydrophobicContact CD1-CG 4.23Å; L19-M132 HydrophobicContact CD1-SD 4.49Å; L19-M132 HydrophobicContact CG-CE 4.33Å; L20-M132 HydrophobicContact CD2-CE 4.08Å; L20-M132 HydrophobicContact CD2-SD 3.83Å; L20-M132 HydrophobicContact CG-SD 4.31Å; I23-M132 HydrophobicContact CD1-CE 3.77Å; F128-M132 WeakPolarHBondContact O-CB 3.47Å; F128-M132 PolarHBondContact O-N 3.43Å; L129-M132 HydrophobicContact CD2-CE 4.11Å; L129-M132 WeakPolarHBondContact O-CB 3.39Å; L129-M132 PolarHBondContact O-N 3.49Å; I130-M132 PolarHBondContact O-N 3.33Å; M132-E134 PolarHBondContact O-N 3.37Å; M132-N135 PolarHBondContact O-N 3.37Å; M132-I136 HydrophobicContact CG-CD1 3.74Å; M132-I136 HydrophobicContact CG-CG1 4.46Å; M132-I136 WeakPolarHBondContact O-CB 3.44Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CB 4.46Å; M132-I136 HydrophobicContact SD-CD1 3.97Å
133I97.1Very high95.8Very high0 Ų071.1 Ų71.10%033%0.331CS..Hα-helixtrans-61-46.4176.9-69.8163.2000110.4L20 I23 L129 I130 N135 I136 A137 M145 L146 L149L20-I133 HydrophobicContact CD2-CG1 3.81Å; I23-I133 HydrophobicContact CD1-CD1 4.12Å; I23-I133 HydrophobicContact CD1-CG1 4.44Å; L129-I133 VanDerWaalsContact O-CG1 3.31Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 3.27Å; I130-I133 PolarHBondContact O-N 2.89Å; I130-I133 VanDerWaalsContact O-N 3.11Å; I133-N135 VanDerWaalsContact C-N 3.27Å; I133-N135 PolarHBondContact O-N 3.15Å; I133-I136 PolarHBondContact O-N 3.37Å; I133-A137 HydrophobicContact CG2-CB 4.1Å; I133-A137 WeakPolarHBondContact O-CB 3.23Å; I133-A137 PolarHBondContact O-N 3.01Å; I133-M145 HydrophobicContact CD1-CB 4.3Å; I133-M145 HydrophobicContact CG1-CB 4.41Å; I133-M145 HydrophobicContact CG2-CB 3.64Å; I133-L146 HydrophobicContact CB-CD2 4.19Å; I133-L146 HydrophobicContact CD1-CD2 4.11Å; I133-L146 HydrophobicContact CG2-CD2 4.03Å; I133-L146 HydrophobicContact CG2-CG 3.99Å; I133-L149 HydrophobicContact CD1-CB 4.01Å; I133-L149 HydrophobicContact CD1-CD2 3.73Å; I133-L149 HydrophobicContact CD1-CG 4.48Å
134E95.9Very high96.1Very high99 Ų9972.3 Ų72.346%0.46334%0.338SS..Hα-helixtrans-61.6-34.5-178.7-70.2176157.400113.1I130 M132 Q142I130-E134 WeakPolarHBondContact O-CG 3.28Å; I130-E134 PolarHBondContact O-N 3.1Å; M132-E134 PolarHBondContact O-N 3.37Å; E134-Q142 PolarHBondContact O-NE2 2.91Å
135N94Very high96.4Very high106 Ų10671 Ų7157%0.56733%0.331SS*.Hα-helixtrans-86.4-34-178.3-73.8-48000113.8F13 K131 M132 I133F13-N135 HydrophobicContact CD1-CB 4.2Å; F13-N135 HydrophobicContact CG-CB 4.32Å; K131-N135 WeakPolarHBondContact O-CB 3.37Å; K131-N135 VanDerWaalsContact O-CG 3.32Å; K131-N135 PolarHBondContact O-N 3.41Å; K131-N135 VanDerWaalsContact O-N 3.15Å; K131-N135 PolarHBondContact O-ND2 2.72Å; M132-N135 PolarHBondContact O-N 3.37Å; I133-N135 VanDerWaalsContact C-N 3.27Å; I133-N135 PolarHBondContact O-N 3.15Å
136I93.8Very high96.6Very high45 Ų4570 Ų7023%0.23133%0.326CS..Hα-helixtrans-105.1-38.7-169.5-58.2-177.2000112.4F13 G15 P17 L20 M132 I133F13-I136 HydrophobicContact CD1-CD1 4.34Å; F13-I136 HydrophobicContact CE1-CD1 4.43Å; G15-I136 VanDerWaalsContact C-CD1 3.46Å; G15-I136 WeakPolarHBondContact O-CD1 3.17Å; P17-I136 HydrophobicContact CB-CG2 4.14Å; P17-I136 HydrophobicContact CG-CG2 4.02Å; L20-I136 HydrophobicContact CD1-CG2 4.28Å; M132-I136 HydrophobicContact CG-CD1 3.74Å; M132-I136 HydrophobicContact CG-CG1 4.46Å; M132-I136 WeakPolarHBondContact O-CB 3.44Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CB 4.46Å; M132-I136 HydrophobicContact SD-CD1 3.97Å; I133-I136 PolarHBondContact O-N 3.37Å
137A95.3Very high96.7Very high5 Ų568.8 Ų68.84%0.04132%0.316CS..SBendtrans-72.7136.5-175.200000110.4L20 I133 R139 Q142L20-A137 HydrophobicContact CD1-CB 3.97Å; L20-A137 HydrophobicContact CD2-CB 4.16Å; I133-A137 HydrophobicContact CG2-CB 4.1Å; I133-A137 WeakPolarHBondContact O-CB 3.23Å; I133-A137 PolarHBondContact O-N 3.01Å; A137-R139 PolarHBondContact O-N 2.94Å; A137-Q142 HydrophobicContact CB-CG 4Å; A137-Q142 PolarHBondContact O-NE2 3.12Å
138P96.4Very high96.8Very high61 Ų6163.8 Ų63.840%0.39629%0.29SS..  trans-51.2137.5169.6-26.132.3000111.1Y106 R140 L141 Q142Y106-P138 WeakPolarHBondContact OH-CD 3.4Å; Y106-P138 WeakPolarHBondContact OH-CG 3.48Å; P138-R140 PolarHBondContact O-N 3.15Å; P138-L141 HydrophobicContact CB-CD1 4.31Å; P138-L141 HydrophobicContact CB-CG 4.32Å; P138-L141 HydrophobicContact CG-CD1 4.03Å; P138-L141 PolarHBondContact O-N 3.37Å; P138-Q142 PolarHBondContact O-N 3.38Å
139R96.3Very high96.9Very high226 Ų22662.7 Ų62.785%0.85329%0.285SS*.Hα-helixtrans-48.7-36-175-69.2-174.2179.9-175-0114.2A137 L141A137-R139 PolarHBondContact O-N 2.94Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 2.89Å
140R96.4Very high97.1Very high236 Ų23665.8 Ų65.889%0.89131%0.306SS*.Hα-helixtrans-67.1-22.7179.3-63.7-177.1-178.2178.50.2113.8P138P138-R140 PolarHBondContact O-N 3.15Å
141L97.3Very high97.1Very high32 Ų3262.9 Ų62.917%0.16829%0.292CS..Hα-helixtrans-100.4-16-177.5-52.7-179.3000112.8F98 F101 I102 Y106 P138 R139 K143 D144 M145F98-L141 HydrophobicContact CE2-CB 4.38Å; F98-L141 HydrophobicContact CE2-CD2 4.03Å; F101-L141 HydrophobicContact CE1-CD1 4.12Å; F101-L141 HydrophobicContact CE1-CD2 4.24Å; I102-L141 HydrophobicContact CD1-CD1 3.96Å; Y106-L141 HydrophobicContact CE2-CD1 4.46Å; P138-L141 HydrophobicContact CB-CD1 4.31Å; P138-L141 HydrophobicContact CB-CG 4.32Å; P138-L141 HydrophobicContact CG-CD1 4.03Å; P138-L141 PolarHBondContact O-N 3.37Å; R139-L141 VanDerWaalsContact C-N 3.26Å; R139-L141 PolarHBondContact O-N 2.89Å; L141-K143 PolarHBondContact O-N 2.97Å; L141-D144 PolarHBondContact O-N 2.84Å; L141-M145 WeakPolarHBondContact O-CB 3.02Å; L141-M145 WeakPolarHBondContact O-CG 3.36Å; L141-M145 PolarHBondContact O-N 3.28Å
142Q97.8Very high97.2Very high47 Ų4757.2 Ų57.222%0.2227%0.267CS..Hα-helixtrans-58.7-44.7-170.7-75179.8-0.700113.1E134 A137 P138 D144 M145 L146E134-Q142 PolarHBondContact O-NE2 2.91Å; A137-Q142 HydrophobicContact CB-CG 4Å; A137-Q142 PolarHBondContact O-NE2 3.12Å; P138-Q142 PolarHBondContact O-N 3.38Å; Q142-D144 PolarHBondContact O-N 2.78Å; Q142-M145 PolarHBondContact O-N 3.2Å; Q142-L146 WeakPolarHBondContact O-CB 3.5Å; Q142-L146 VanDerWaalsContact O-CG 3.29Å; Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.44Å
143K98.2Very high97.4Very high164 Ų16458.5 Ų58.571%0.71328%0.275SS*.Hα-helixtrans-58.3-50.8-179-177.2-175.4174.6-176.40111.6L141 L146 L147L141-K143 PolarHBondContact O-N 2.97Å; K143-L146 PolarHBondContact O-N 3.08Å; K143-L147 PolarHBondContact O-N 3.44Å; K143-L147 VanDerWaalsContact O-N 3.09Å
144D98.6Very high97.4Very high39 Ų3962.2 Ų62.221%0.20929%0.29CS..Hα-helixtrans-71.3-34.6-178.4-61.9-43.4000111.1H95 F98 L141 Q142 L147 V148H95-D144 IonicContact NE2-OD1 3.12Å; F98-D144 HydrophobicContact CD1-CB 4.21Å; F98-D144 HydrophobicContact CD2-CB 4.18Å; F98-D144 HydrophobicContact CE1-CB 3.77Å; F98-D144 HydrophobicContact CE2-CB 3.73Å; F98-D144 HydrophobicContact CG-CB 4.39Å; F98-D144 HydrophobicContact CZ-CB 3.51Å; L141-D144 PolarHBondContact O-N 2.84Å; Q142-D144 PolarHBondContact O-N 2.78Å; D144-L147 PolarHBondContact O-N 3.17Å; D144-V148 VanDerWaalsContact O-CG2 3.28Å; D144-V148 WeakPolarHBondContact O-CG2 3.48Å; D144-V148 PolarHBondContact O-N 2.91Å
145M98.6Very high97.5Very high0 Ų057.8 Ų57.80%027%0.269CS..Hα-helixtrans-62.2-43.6172.5-80.2-50.6-54.400113.1L20 I23 F98 I102 I133 L141 Q142 L147 V148 L149L20-M145 HydrophobicContact CB-CE 4.14Å; L20-M145 HydrophobicContact CD2-CE 3.99Å; I23-M145 HydrophobicContact CB-CE 4.33Å; I23-M145 HydrophobicContact CG2-CE 4.18Å; F98-M145 HydrophobicContact CE1-CG 4.26Å; F98-M145 HydrophobicContact CE1-SD 3.64Å; F98-M145 HydrophobicContact CZ-CG 3.84Å; F98-M145 HydrophobicContact CZ-SD 3.72Å; I102-M145 HydrophobicContact CB-SD 4.4Å; I102-M145 HydrophobicContact CD1-CG 4.47Å; I102-M145 HydrophobicContact CD1-SD 3.82Å; I102-M145 HydrophobicContact CG1-SD 3.75Å; I102-M145 HydrophobicContact CG2-CE 4.42Å; I102-M145 HydrophobicContact CG2-SD 3.87Å; I133-M145 HydrophobicContact CD1-CB 4.3Å; I133-M145 HydrophobicContact CG1-CB 4.41Å; I133-M145 HydrophobicContact CG2-CB 3.64Å; L141-M145 WeakPolarHBondContact O-CB 3.02Å; L141-M145 WeakPolarHBondContact O-CG 3.36Å; L141-M145 PolarHBondContact O-N 3.28Å; Q142-M145 PolarHBondContact O-N 3.2Å; M145-L147 VanDerWaalsContact C-N 3.31Å; M145-V148 PolarHBondContact O-N 3.26Å; M145-L149 PolarHBondContact O-N 3.33Å
146L98.6Very high97.6Very high46 Ų4653.6 Ų53.624%0.24125%0.249CC..Hα-helixtrans-64.4-39.4177-72.2171000110.9I130 I133 Q142 K143 L149 S150I130-L146 HydrophobicContact CB-CD2 4.36Å; I130-L146 HydrophobicContact CG1-CD2 4.2Å; I130-L146 HydrophobicContact CG2-CD2 4.05Å; I133-L146 HydrophobicContact CB-CD2 4.19Å; I133-L146 HydrophobicContact CD1-CD2 4.11Å; I133-L146 HydrophobicContact CG2-CD2 4.03Å; I133-L146 HydrophobicContact CG2-CG 3.99Å; Q142-L146 WeakPolarHBondContact O-CB 3.5Å; Q142-L146 VanDerWaalsContact O-CG 3.29Å; Q142-L146 WeakPolarHBondContact O-CG 3.38Å; Q142-L146 PolarHBondContact O-N 3.44Å; K143-L146 PolarHBondContact O-N 3.08Å; L146-L149 PolarHBondContact O-N 3.32Å; L146-S150 PolarHBondContact O-N 2.96Å; L146-S150 PolarHBondContact O-OG 2.76Å; L146-S150 VanDerWaalsContact O-OG 3.09Å
147L98.8Very high97.8Very high28 Ų2856.8 Ų56.815%0.14727%0.27CS..Hα-helixtrans-62.7-45.8174.7-171.1156.4000111.8Y90 K143 D144 M145 L149 S150 C151Y90-L147 HydrophobicContact CD2-CD2 4.03Å; K143-L147 PolarHBondContact O-N 3.44Å; K143-L147 VanDerWaalsContact O-N 3.09Å; D144-L147 PolarHBondContact O-N 3.17Å; M145-L147 VanDerWaalsContact C-N 3.31Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 3.22Å; L147-S150 WeakPolarHBondContact O-CB 3.25Å; L147-S150 PolarHBondContact O-N 3.03Å; L147-C151 PolarHBondContact O-N 2.95Å; L147-C151 PolarHBondContact O-SG 3.36Å
148V98.7Very high97.7Very high0 Ų061 Ų610%029%0.288CS..Hα-helixtrans-57.7-44.4174.7167.30000110.4I23 L27 F98 D144 M145 C151 L152I23-V148 HydrophobicContact CG2-CG1 3.84Å; L27-V148 HydrophobicContact CB-CG1 4.32Å; L27-V148 HydrophobicContact CD2-CB 4.24Å; L27-V148 HydrophobicContact CD2-CG1 3.7Å; L27-V148 HydrophobicContact CD2-CG2 4.31Å; F98-V148 HydrophobicContact CD1-CG2 4.05Å; F98-V148 HydrophobicContact CE1-CG2 3.99Å; D144-V148 VanDerWaalsContact O-CG2 3.28Å; D144-V148 WeakPolarHBondContact O-CG2 3.48Å; D144-V148 PolarHBondContact O-N 2.91Å; M145-V148 PolarHBondContact O-N 3.26Å; V148-C151 WeakPolarHBondContact O-CB 3.42Å; V148-C151 PolarHBondContact O-N 3.37Å; V148-L152 PolarHBondContact O-N 2.91Å
149L98.7Very high97.6Very high3 Ų360.7 Ų60.72%0.01628%0.283CS..Hα-helixtrans-62.3-43.9175.1177.661000111.9I23 L129 I130 I133 M145 L146 L147 C151 L152 C153I23-L149 HydrophobicContact CD1-CD1 4.42Å; I23-L149 HydrophobicContact CG2-CB 4.3Å; I23-L149 HydrophobicContact CG2-CD1 4.46Å; L129-L149 HydrophobicContact CB-CD1 4.15Å; L129-L149 HydrophobicContact CB-CD2 3.68Å; L129-L149 HydrophobicContact CD1-CD1 3.75Å; I130-L149 HydrophobicContact CG1-CD2 3.76Å; I133-L149 HydrophobicContact CD1-CB 4.01Å; I133-L149 HydrophobicContact CD1-CD2 3.73Å; I133-L149 HydrophobicContact CD1-CG 4.48Å; M145-L149 PolarHBondContact O-N 3.33Å; L146-L149 PolarHBondContact O-N 3.32Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 3.22Å; L149-C151 VanDerWaalsContact C-N 3.29Å; L149-C151 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 3.38Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L149-C153 PolarHBondContact O-N 3.1Å; L149-C153 PolarHBondContact O-SG 2.75Å; L149-C153 VanDerWaalsContact O-SG 3.33Å
150S98.7Very high97.5Very high64 Ų6459.2 Ų59.245%0.44828%0.283SS..Hα-helixtrans-58.5-41.3175.7-60.70000112L146 L147 C153 Y154L146-S150 PolarHBondContact O-N 2.96Å; L146-S150 PolarHBondContact O-OG 2.76Å; L146-S150 VanDerWaalsContact O-OG 3.09Å; L147-S150 WeakPolarHBondContact O-CB 3.25Å; L147-S150 PolarHBondContact O-N 3.03Å; S150-C153 PolarHBondContact O-N 3.45Å; S150-Y154 PolarHBondContact O-N 2.67Å
151C98.8Very high97.4Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-64.2-43.1175.1-65.70000111.8L27 L85 L147 V148 L149 Y154 L155L27-C151 HydrophobicContact CD1-CB 3.79Å; L27-C151 HydrophobicContact CD2-CB 3.91Å; L85-C151 HydrophobicContact CD2-CB 4Å; L147-C151 PolarHBondContact O-N 2.95Å; L147-C151 PolarHBondContact O-SG 3.36Å; V148-C151 WeakPolarHBondContact O-CB 3.42Å; V148-C151 PolarHBondContact O-N 3.37Å; L149-C151 VanDerWaalsContact C-N 3.29Å; L149-C151 PolarHBondContact O-N 3.14Å; C151-Y154 WeakPolarHBondContact O-CB 3.26Å; C151-Y154 PolarHBondContact O-N 2.87Å; C151-L155 WeakPolarHBondContact O-CG 3.42Å; C151-L155 PolarHBondContact O-N 3.43Å
152L98.6Very high97.2Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-62-43.6176.3179.459.2000111.6I23 Q26 R30 V148 L149 L155 S156 L163 L164I23-L152 HydrophobicContact CG2-CD2 4.16Å; Q26-L152 HydrophobicContact CB-CD1 3.93Å; Q26-L152 HydrophobicContact CB-CD2 3.99Å; R30-L152 VanDerWaalsContact NE-CD1 3.33Å; V148-L152 PolarHBondContact O-N 2.91Å; L149-L152 PolarHBondContact O-N 3.38Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 2.8Å; L152-S156 VanDerWaalsContact O-CB 3.24Å; L152-S156 WeakPolarHBondContact O-CB 3.41Å; L152-S156 PolarHBondContact O-N 2.92Å; L152-L163 HydrophobicContact CG-CD2 4.07Å; L152-L164 HydrophobicContact CD2-CD2 4.47Å
153C98.3Very high97Very high27 Ų2752.4 Ų52.418%0.18226%0.263CS..Hα-helixtrans-60.8-42.8175-70.50000112.4L149 S150 S156 T157 L163L149-C153 PolarHBondContact O-N 3.1Å; L149-C153 PolarHBondContact O-SG 2.75Å; L149-C153 VanDerWaalsContact O-SG 3.33Å; S150-C153 PolarHBondContact O-N 3.45Å; C153-S156 PolarHBondContact O-N 3.47Å; C153-T157 PolarHBondContact O-N 3.49Å; C153-T157 PolarHBondContact O-OG1 3.43Å; C153-L163 HydrophobicContact CB-CD2 4.23Å; C153-L163 VanDerWaalsContact SG-CD2 3.57Å
154Y98.4Very high96.7Very high78 Ų7844.7 Ų44.731%0.30623%0.229SC..Hα-helixtrans-59.3-48.1175.3171.7-96.7000111.3L85 L88 S150 C151 T157 K158L85-Y154 HydrophobicContact CD2-CD1 3.85Å; L85-Y154 HydrophobicContact CD2-CE1 4.35Å; L88-Y154 HydrophobicContact CD1-CD1 4.34Å; L88-Y154 HydrophobicContact CD1-CD2 4.37Å; L88-Y154 HydrophobicContact CD1-CG 3.88Å; S150-Y154 PolarHBondContact O-N 2.67Å; C151-Y154 WeakPolarHBondContact O-CB 3.26Å; C151-Y154 PolarHBondContact O-N 2.87Å; Y154-T157 PolarHBondContact O-N 2.75Å; Y154-K158 HydrophobicContact CE1-CD 4.16Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 2.97Å
155L97.6Very high95.8Very high6 Ų644.3 Ų44.33%0.03123%0.232CC..Hα-helixtrans-68.7-36.9179.2-63.1-176.2000112.9L27 R30 I31 L81 L85 C151 L152 T157 K158 D159L27-L155 HydrophobicContact CD1-CD1 3.79Å; R30-L155 HydrophobicContact CB-CD1 4Å; I31-L155 HydrophobicContact CG1-CD1 3.95Å; L81-L155 HydrophobicContact CD1-CD2 3.54Å; L85-L155 HydrophobicContact CD2-CD2 4.21Å; L85-L155 HydrophobicContact CD2-CG 4.29Å; C151-L155 WeakPolarHBondContact O-CG 3.42Å; C151-L155 PolarHBondContact O-N 3.43Å; L152-L155 PolarHBondContact O-N 2.8Å; L155-T157 VanDerWaalsContact C-N 3.33Å; L155-T157 PolarHBondContact O-N 2.91Å; L155-K158 PolarHBondContact O-N 3.42Å; L155-K158 VanDerWaalsContact O-N 3.17Å; L155-D159 PolarHBondContact O-N 3.27Å; L155-D159 VanDerWaalsContact O-OD1 3.1Å
156S96.9Very high94.4Very high19 Ų1950 Ų5013%0.13325%0.253CS..Hα-helixtrans-60.9-40.1174.5171.10000112.9R30 L152 C153 D159 K160 K161R30-S156 VanDerWaalsContact NH1-CA 3.28Å; L152-S156 VanDerWaalsContact O-CB 3.24Å; L152-S156 WeakPolarHBondContact O-CB 3.41Å; L152-S156 PolarHBondContact O-N 2.92Å; C153-S156 PolarHBondContact O-N 3.47Å; S156-D159 WeakPolarHBondContact CA-OD1 3.45Å; S156-D159 VanDerWaalsContact O-OD1 3.09Å; S156-K160 WeakPolarHBondContact O-CA 3.48Å; S156-K160 PolarHBondContact O-N 2.83Å; S156-K161 WeakPolarHBondContact CB-O 3.36Å; S156-K161 PolarHBondContact O-N 2.79Å; S156-K161 PolarHBondContact OG-O 2.74Å
157T96.1Very high94.2Very high112 Ų11250.2 Ų50.269%0.68725%0.254SS*.Hα-helixtrans-66.1-44172.6-56.80000111.1C153 Y154 L155C153-T157 PolarHBondContact O-N 3.49Å; C153-T157 PolarHBondContact O-OG1 3.43Å; Y154-T157 PolarHBondContact O-N 2.75Å; L155-T157 VanDerWaalsContact C-N 3.33Å; L155-T157 PolarHBondContact O-N 2.91Å
158K94.4Very high94Very high92 Ų9251.4 Ų51.440%0.426%0.26SS..Hα-helixtrans-67.1-38.8-177-167.3173.8-174174.30112.9Y154 L155Y154-K158 HydrophobicContact CE1-CD 4.16Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 2.97Å; L155-K158 PolarHBondContact O-N 3.42Å; L155-K158 VanDerWaalsContact O-N 3.17Å
159D94.3Very high93.7Very high56 Ų5654.2 Ų54.230%0.29927%0.274SS..Hα-helixtrans-95.6-5.4-178.772.112.4000114.3R30 L155 S156 K161R30-D159 IonicContact CZ-OD2 3.75Å; R30-D159 IonicContact NH1-OD1 3.54Å; R30-D159 PolarHBondContact NH1-OD1 3.36Å; R30-D159 IonicContact NH1-OD2 2.65Å; R30-D159 PolarHBondContact NH1-OD2 2.8Å; L155-D159 PolarHBondContact O-N 3.27Å; L155-D159 VanDerWaalsContact O-OD1 3.1Å; S156-D159 WeakPolarHBondContact CA-OD1 3.45Å; S156-D159 VanDerWaalsContact O-OD1 3.09Å; D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact OD1-CB 3.27Å; D159-K161 WeakPolarHBondContact OD1-CB 3.33Å; D159-K161 PolarHBondContact OD1-N 2.83Å
160K94.4Very high93.4Very high194 Ų19457.2 Ų57.284%0.84329%0.289SS*.THydrogen-bonded Turntrans58.430.1-178.5-54.4-179.6-179.6179.70113.7S156S156-K160 WeakPolarHBondContact O-CA 3.48Å; S156-K160 PolarHBondContact O-N 2.83Å
161K93.7Very high93.1Very high113 Ų11356.8 Ų56.849%0.49128%0.279SS..  trans-106.9147.1176.5-62.4178.2-178.8178.30111.3S156 D159S156-K161 WeakPolarHBondContact CB-O 3.36Å; S156-K161 PolarHBondContact O-N 2.79Å; S156-K161 PolarHBondContact OG-O 2.74Å; D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact OD1-CB 3.27Å; D159-K161 WeakPolarHBondContact OD1-CB 3.33Å; D159-K161 PolarHBondContact OD1-N 2.83Å
162P93.7Very high92.7Very high52 Ų5260.6 Ų60.634%0.33830%0.298SS..  trans-58.2143.6176.127.8-37.2000110.9R30 W120 N124 L164 A165R30-P162 PolarHBondContact NH2-O 3.36Å; W120-P162 HydrophobicContact CH2-CB 4.44Å; W120-P162 HydrophobicContact CZ2-CB 3.91Å; W120-P162 HydrophobicContact CZ2-CG 4.34Å; N124-P162 WeakPolarHBondContact OD1-CB 3.46Å; P162-L164 VanDerWaalsContact C-N 3.3Å; P162-L164 CarbonylContact O-C 3.6Å; P162-L164 PolarHBondContact O-N 3Å; P162-A165 PolarHBondContact O-N 3.3Å
163L93.8Very high92.3Very high7 Ų764.9 Ų64.94%0.03732%0.319CS..SBendtrans-45.8-48.6-175.8-69.6172.3000113.7R30 N124 P126 L129 L152 C153 A165R30-L163 PolarHBondContact NH2-O 3.19Å; N124-L163 PolarHBondContact OD1-N 3.41Å; P126-L163 HydrophobicContact CG-CD1 4.08Å; L129-L163 HydrophobicContact CD1-CD1 3.81Å; L152-L163 HydrophobicContact CG-CD2 4.07Å; C153-L163 HydrophobicContact CB-CD2 4.23Å; C153-L163 VanDerWaalsContact SG-CD2 3.57Å; L163-A165 PolarHBondContact O-N 3.07Å
164L91.2Very high91.9Very high2 Ų267.8 Ų67.81%0.0133%0.33CS..SBendtrans-98.292.9173.7-48.2-169.3000108.5L19 E22 Q26 L109 Y123 N124 L152 P162L19-L164 HydrophobicContact CD2-CD1 3.83Å; E22-L164 HydrophobicContact CG-CD1 3.94Å; E22-L164 HydrophobicContact CG-CD2 4.01Å; E22-L164 HydrophobicContact CG-CG 4.44Å; Q26-L164 HydrophobicContact CG-CD2 4.02Å; L109-L164 HydrophobicContact CD1-CD1 4.32Å; Y123-L164 HydrophobicContact CD2-CD1 4.21Å; Y123-L164 HydrophobicContact CG-CD1 4.27Å; Y123-L164 WeakPolarHBondContact O-CG 3.3Å; N124-L164 PolarHBondContact OD1-N 2.9Å; L152-L164 HydrophobicContact CD2-CD2 4.47Å; P162-L164 VanDerWaalsContact C-N 3.3Å; P162-L164 CarbonylContact O-C 3.6Å; P162-L164 PolarHBondContact O-N 3Å
165A80.6Confident91.3Very high31 Ų3167 Ų6726%0.25633%0.332SS..  trans-95.4114.5179.900000109.4Q26 P162 L163Q26-A165 PolarHBondContact NE2-O 2.96Å; Q26-A165 VanDerWaalsContact OE1-N 3.17Å; Q26-A165 PolarHBondContact OE1-O 2.85Å; Q26-A165 VanDerWaalsContact OE1-O 3.05Å; P162-A165 PolarHBondContact O-N 3.3Å; L163-A165 PolarHBondContact O-N 3.07Å
166W69.2Low90.8Very high120 Ų12072.5 Ų72.546%0.45536%0.359SS..  trans-105.90174.5-57.980.6000110.4L109 R112L109-W166 HydrophobicContact CB-CH2 3.48Å; L109-W166 VanDerWaalsContact CB-CH2 3.48Å; L109-W166 HydrophobicContact CB-CZ2 3.51Å; L109-W166 HydrophobicContact CD1-CZ2 3.84Å; L109-W166 HydrophobicContact CG-CZ2 4.31Å; L109-W166 WeakPolarHBondContact O-CH2 3.43Å; R112-W166 HydrophobicContact CB-CB 4.45Å; R112-W166 HydrophobicContact CB-CD2 3.91Å; R112-W166 HydrophobicContact CB-CE3 4.28Å; R112-W166 HydrophobicContact CB-CG 4.03Å; R112-W166 HydrophobicContact CG-CB 3.93Å; R112-W166 HydrophobicContact CG-CD2 4.07Å; R112-W166 HydrophobicContact CG-CG 3.66Å; R112-W166 PolarHBondContact NH1-O 3.07Å; R112-W166 PolarHBondContact NH2-O 3.46Å

Retrieved 166 of 166 residues in 35.8 ms (Link to these results)

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