A0A087XPH0_POEFO Loading...

Synaptogyrin

AlphaFold DB , UniProt , Accession A0A087XPH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M34.9Very low48.4Very low239 Ų23987.5 Ų87.5100%1.17754%0.54SS*.  087.60-82.6172.2159.900106.4
2D43.3Very low48.9Very low160 Ų16087.8 Ų87.886%0.85654%0.541SS*.  trans-95.2106-176.7-63.6-27.5000108.3V4D2-V4 PolarHBondContact O-N 3.35Å; D2-V4 VanDerWaalsContact O-N 3.15Å
3G42.8Very low49Very low69 Ų6987.5 Ų87.571%0.71157%0.566SS**  trans-58.3115.1174.600000110.5G5G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.16Å
4V49.1Very low49.6Very low112 Ų11288.9 Ų88.968%0.67957%0.573SS**  trans-74.685.9173.3-178.80000107.5D2 M178D2-V4 PolarHBondContact O-N 3.35Å; D2-V4 VanDerWaalsContact O-N 3.15Å; V4-M178 VanDerWaalsContact O-CG 3.3Å; V4-M178 WeakPolarHBondContact O-CG 3.02Å
5G50.1Low50.4Low14 Ų1489.6 Ų89.614%0.14459%0.589CS.*  trans-60.4150.1172.300000112.4G3 F7 G175G3-G5 VanDerWaalsContact C-N 3.29Å; G3-G5 PolarHBondContact O-N 3.16Å; G5-F7 PolarHBondContact O-N 3.42Å; G5-G175 CarbonylContact C-O 3.13Å; G5-G175 VanDerWaalsContact C-O 3.23Å
6S56.1Low51.4Low19 Ų1987.1 Ų87.113%0.13357%0.571CS.*SBendtrans-59.436.8177.1179.20000116.4G8 G175 D177 F181S6-G8 PolarHBondContact O-N 3.02Å; S6-G175 CarbonylContact C-O 3.6Å; S6-G175 VanDerWaalsContact CA-O 3.3Å; S6-G175 WeakPolarHBondContact CA-O 3.35Å; S6-G175 PolarHBondContact N-O 3.17Å; S6-D177 WeakPolarHBondContact CB-O 3.26Å; S6-F181 VanDerWaalsContact CA-CE2 3.5Å; S6-F181 VanDerWaalsContact CB-CE2 3.5Å; S6-F181 WeakPolarHBondContact OG-CD2 3.47Å; S6-F181 WeakPolarHBondContact OG-CE2 3.28Å
7F55.1Low53Low12 Ų1286.4 Ų86.45%0.05356%0.561CS.*  trans-82.82.4165.3-68.6-81.3000112.2G5 A9 V98 R101 K102 V105 Y172 G175 T176G5-F7 PolarHBondContact O-N 3.42Å; F7-A9 PolarHBondContact O-N 2.89Å; F7-V98 HydrophobicContact CB-CB 4.12Å; F7-V98 HydrophobicContact CB-CG1 3.56Å; F7-V98 HydrophobicContact CB-CG2 4.38Å; F7-R101 HydrophobicContact CB-CB 4.35Å; F7-R101 HydrophobicContact CD1-CB 3.82Å; F7-R101 HydrophobicContact CG-CB 4.36Å; F7-R101 PolarHBondContact O-NH1 3.41Å; F7-K102 HydrophobicContact CD2-CB 4.12Å; F7-K102 HydrophobicContact CE2-CB 3.9Å; F7-K102 HydrophobicContact CE2-CD 4.37Å; F7-K102 HydrophobicContact CE2-CG 3.97Å; F7-K102 HydrophobicContact CZ-CB 4.19Å; F7-K102 HydrophobicContact CZ-CG 4.33Å; F7-V105 HydrophobicContact CE1-CG2 4.27Å; F7-Y172 HydrophobicContact CZ-CD2 4.32Å; F7-G175 WeakPolarHBondContact CD2-O 3.2Å; F7-G175 VanDerWaalsContact CE2-C 3.48Å; F7-G175 VanDerWaalsContact CE2-O 3.32Å; F7-G175 WeakPolarHBondContact CE2-O 3.35Å; F7-G175 PolarHBondContact N-O 3.13Å; F7-T176 HydrophobicContact CE2-CG2 4.08Å
8G50.6Low54.2Low48 Ų4887.1 Ų87.150%0.49557%0.566SS.*  trans-81.21.5-171.500000117.3S6 G10S6-G8 PolarHBondContact O-N 3.02Å; G8-G10 PolarHBondContact O-N 2.98Å
9A53.1Low55.3Low50 Ų5088.3 Ų88.341%0.41357%0.565SS.*  trans-55.2118.5176.700000110.1F7 R101 F181F7-A9 PolarHBondContact O-N 2.89Å; A9-R101 PolarHBondContact O-NH1 3.14Å; A9-R101 PolarHBondContact O-NH2 2.98Å; A9-F181 HydrophobicContact CB-CZ 3.93Å
10G51.3Low56.2Low57 Ų5788 Ų8859%0.58856%0.563SS**  trans-56.3159.9-173.200000113.5G8 T12G8-G10 PolarHBondContact O-N 2.98Å; G10-T12 PolarHBondContact O-N 3.05Å
11R46Very low57.2Low182 Ų18284.7 Ų84.769%0.68754%0.54SS*.  trans-57.898.4177-170.9177.6177.3134.9-4.5109.4G13R11-G13 PolarHBondContact O-N 3.11Å; R11-G13 VanDerWaalsContact O-N 3.11Å
12T54.2Low59.1Low91 Ų9176 Ų7656%0.55851%0.506SS*.  trans-71106.4171.221.40000107.6G10 T14G10-T12 PolarHBondContact O-N 3.05Å; T12-T14 PolarHBondContact O-N 2.88Å
13G50.7Low60.8Low84 Ų8475.6 Ų75.687%0.86650%0.496SS*.  trans-67.56.4176.800000114.2R11R11-G13 PolarHBondContact O-N 3.11Å; R11-G13 VanDerWaalsContact O-N 3.11Å
14T56.6Low62.8Low108 Ų10876.3 Ų76.366%0.66348%0.481SS*.SBendtrans-79.6127.5175.318.90000110.5T12 V16T12-T14 PolarHBondContact O-N 2.88Å; T14-V16 PolarHBondContact O-N 3.32Å
15A61.8Low64.7Low99 Ų9974.1 Ų74.182%0.81847%0.469SS*.PPolyproline II helixtrans-55.3133.8172.400000109.8D17A15-D17 PolarHBondContact O-N 2.99Å; A15-D17 VanDerWaalsContact O-N 3.17Å
16V66.3Low66.5Low49 Ų4974.5 Ų74.530%0.29747%0.467SS..PPolyproline II helixtrans-62.2117.9177-179.90000108.2T14 P18 F21T14-V16 PolarHBondContact O-N 3.32Å; V16-P18 WeakPolarHBondContact O-CD 3.3Å; V16-F21 HydrophobicContact CG1-CB 3.83Å; V16-F21 HydrophobicContact CG1-CD2 4.22Å; V16-F21 HydrophobicContact CG1-CG 4.22Å
17D79Confident68.2Low76 Ų7673.9 Ų73.941%0.40646%0.463SS..  trans-63.5114.4171.4170.626.3000109.4A15 I19 T20 F21A15-D17 PolarHBondContact O-N 2.99Å; A15-D17 VanDerWaalsContact O-N 3.17Å; D17-I19 PolarHBondContact O-N 3.31Å; D17-I19 PolarHBondContact OD1-N 3.33Å; D17-I19 VanDerWaalsContact OD1-N 3.15Å; D17-T20 PolarHBondContact O-N 3.34Å; D17-T20 VanDerWaalsContact OD2-CB 3.3Å; D17-T20 WeakPolarHBondContact OD2-CB 3.49Å; D17-T20 PolarHBondContact OD2-N 3.26Å; D17-T20 VanDerWaalsContact OD2-N 3.14Å; D17-T20 PolarHBondContact OD2-OG1 2.96Å; D17-F21 PolarHBondContact O-N 2.8Å
18P74.1Confident70Confident98 Ų9877.3 Ų77.364%0.63648%0.481SS*.Hα-helixtrans-59.3-32.3-177-2334000113V16 A22V16-P18 WeakPolarHBondContact O-CD 3.3Å; P18-A22 VanDerWaalsContact O-CB 3.32Å; P18-A22 WeakPolarHBondContact O-CB 3.35Å; P18-A22 PolarHBondContact O-N 3.13Å
19I75.4Confident72.1Confident110 Ų11076.9 Ų76.956%0.56447%0.467SS*.Hα-helixtrans-72.7-44.4-177.2-61.2175.4000110D17 A22 K23D17-I19 PolarHBondContact O-N 3.31Å; D17-I19 PolarHBondContact OD1-N 3.33Å; D17-I19 VanDerWaalsContact OD1-N 3.15Å; I19-A22 PolarHBondContact O-N 2.82Å; I19-K23 WeakPolarHBondContact O-CG 3.42Å; I19-K23 PolarHBondContact O-N 2.81Å
20T74.7Confident74.1Confident83 Ų8374.6 Ų74.651%0.50945%0.448SS..Hα-helixtrans-66.4-38.1176.1-61.20000111.6D17 K23D17-T20 PolarHBondContact O-N 3.34Å; D17-T20 VanDerWaalsContact OD2-CB 3.3Å; D17-T20 WeakPolarHBondContact OD2-CB 3.49Å; D17-T20 PolarHBondContact OD2-N 3.26Å; D17-T20 VanDerWaalsContact OD2-N 3.14Å; D17-T20 PolarHBondContact OD2-OG1 2.96Å; T20-K23 PolarHBondContact O-N 3.47Å
21F75.2Confident76.2Confident18 Ų1875 Ų758%0.07944%0.438CS..Hα-helixtrans-64.1-42174.8-179.4-100.7000112.7V16 D17 K23 Q24 T27 F86 D89V16-F21 HydrophobicContact CG1-CB 3.83Å; V16-F21 HydrophobicContact CG1-CD2 4.22Å; V16-F21 HydrophobicContact CG1-CG 4.22Å; D17-F21 PolarHBondContact O-N 2.8Å; F21-K23 VanDerWaalsContact C-N 3.25Å; F21-K23 PolarHBondContact O-N 3.4Å; F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.32Å; F21-T27 HydrophobicContact CD1-CG2 4.06Å; F21-T27 HydrophobicContact CE1-CG2 3.72Å; F21-T27 HydrophobicContact CZ-CG2 4.28Å; F21-T27 WeakPolarHBondContact O-CB 3.05Å; F21-T27 PolarHBondContact O-OG1 3.49Å; F21-F86 HydrophobicContact CE1-CE2 4.08Å; F21-F86 AromaticContact CE1-CZ 3.96Å; F21-F86 HydrophobicContact CE1-CZ 3.96Å; F21-D89 HydrophobicContact CE2-CB 4.16Å; F21-D89 HydrophobicContact CZ-CB 3.97Å
22A76.4Confident78.6Confident56 Ų5669.4 Ų69.446%0.46342%0.422SS..Hα-helixtrans-64.3-29.3178.100000113P18 I19 Q24 I28P18-A22 VanDerWaalsContact O-CB 3.32Å; P18-A22 WeakPolarHBondContact O-CB 3.35Å; P18-A22 PolarHBondContact O-N 3.13Å; I19-A22 PolarHBondContact O-N 2.82Å; A22-Q24 VanDerWaalsContact C-N 3.3Å; A22-Q24 PolarHBondContact O-N 2.78Å; A22-I28 WeakPolarHBondContact O-CG1 3.37Å
23K79.3Confident80.7Confident152 Ų15265 Ų6566%0.66140%0.395SS*.THydrogen-bonded Turntrans-78.8-9.7177.8-71.9177.6179.8-179.70113.9I19 T20 F21I19-K23 WeakPolarHBondContact O-CG 3.42Å; I19-K23 PolarHBondContact O-N 2.81Å; T20-K23 PolarHBondContact O-N 3.47Å; F21-K23 VanDerWaalsContact C-N 3.25Å; F21-K23 PolarHBondContact O-N 3.4Å
24Q84Confident82.9Confident84 Ų8465.6 Ų65.639%0.39337%0.371SS..SBendtrans-65.9131.5179.9-66.7-178.6-5.300110.2F21 A22 Q26 T27 I28F21-Q24 WeakPolarHBondContact O-CB 3.36Å; F21-Q24 PolarHBondContact O-N 3.32Å; A22-Q24 VanDerWaalsContact C-N 3.3Å; A22-Q24 PolarHBondContact O-N 2.78Å; Q24-Q26 PolarHBondContact O-N 3.34Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å; Q24-T27 WeakPolarHBondContact O-CB 3.3Å; Q24-T27 PolarHBondContact O-N 3.04Å; Q24-I28 PolarHBondContact O-N 3.15Å
25P88.7Confident84.9Confident66 Ų6663.8 Ų63.843%0.42936%0.357SS..Hα-helixtrans-55.6-33.7179.7-27.834.4000113.7L29P25-L29 WeakPolarHBondContact O-CB 3.48Å; P25-L29 WeakPolarHBondContact O-CG 2.8Å; P25-L29 PolarHBondContact O-N 3.06Å
26Q88.9Confident86.6Confident23 Ų2360.5 Ų60.511%0.10732%0.324CS..Hα-helixtrans-65.1-45.5176.1-171.7-179.7-3.800111.4Q24 I28 L29 R30 D89 E108 L164 R167Q24-Q26 PolarHBondContact O-N 3.34Å; Q24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-I28 PolarHBondContact O-N 3.4Å; Q26-L29 PolarHBondContact O-N 3.17Å; Q26-R30 WeakPolarHBondContact O-CB 3.27Å; Q26-R30 PolarHBondContact O-N 2.86Å; Q26-D89 PolarHBondContact NE2-OD1 3.26Å; Q26-E108 PolarHBondContact NE2-OE1 3.34Å; Q26-E108 PolarHBondContact NE2-OE2 3.45Å; Q26-L164 HydrophobicContact CG-CD2 4.28Å; Q26-R167 HydrophobicContact CG-CB 4.48Å
27T90.4Very high88.2Confident6 Ų658.2 Ų58.24%0.03731%0.31CS..Hα-helixtrans-62-43.3177.2-51.30000111.5F21 Q24 R30 V31 F86F21-T27 HydrophobicContact CD1-CG2 4.06Å; F21-T27 HydrophobicContact CE1-CG2 3.72Å; F21-T27 HydrophobicContact CZ-CG2 4.28Å; F21-T27 WeakPolarHBondContact O-CB 3.05Å; F21-T27 PolarHBondContact O-OG1 3.49Å; Q24-T27 WeakPolarHBondContact O-CB 3.3Å; Q24-T27 PolarHBondContact O-N 3.04Å; T27-R30 WeakPolarHBondContact O-CB 3.32Å; T27-R30 PolarHBondContact O-N 3.33Å; T27-V31 WeakPolarHBondContact O-CG2 3.33Å; T27-V31 PolarHBondContact O-N 3.24Å; T27-F86 HydrophobicContact CG2-CE2 3.86Å
28I92.9Very high89.1Confident83 Ų8357.5 Ų57.543%0.42631%0.306SS..Hα-helixtrans-60.8-49176.9-63.1169.2000110.4A22 Q24 Q26 R30 V31 L32A22-I28 WeakPolarHBondContact O-CG1 3.37Å; Q24-I28 PolarHBondContact O-N 3.15Å; Q26-I28 PolarHBondContact O-N 3.4Å; I28-R30 VanDerWaalsContact C-N 3.26Å; I28-R30 PolarHBondContact O-N 3.48Å; I28-V31 PolarHBondContact O-N 2.97Å; I28-L32 HydrophobicContact CG2-CD1 4.17Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 2.97Å
29L94.6Very high90.2Very high39 Ų3954.8 Ų54.820%0.20429%0.287CS..Hα-helixtrans-60-36.9176.4-75170.9000112.1P25 Q26 S33 T160 L164 R167P25-L29 WeakPolarHBondContact O-CB 3.48Å; P25-L29 WeakPolarHBondContact O-CG 2.8Å; P25-L29 PolarHBondContact O-N 3.06Å; Q26-L29 PolarHBondContact O-N 3.17Å; L29-S33 WeakPolarHBondContact O-CB 3.42Å; L29-S33 PolarHBondContact O-N 3.35Å; L29-S33 PolarHBondContact O-OG 3.35Å; L29-T160 HydrophobicContact CD2-CG2 4.41Å; L29-L164 HydrophobicContact CB-CD2 3.81Å; L29-L164 HydrophobicContact CB-CG 4.11Å; L29-R167 HydrophobicContact CD1-CG 4.02Å
30R94.9Very high91.3Very high2 Ų249.5 Ų49.51%0.00826%0.261CS..Hα-helixtrans-65-46.4177-164.282.680.8-164.12.8111.4Q26 T27 I28 S33 W34 F86 D89 E108 L164Q26-R30 WeakPolarHBondContact O-CB 3.27Å; Q26-R30 PolarHBondContact O-N 2.86Å; T27-R30 WeakPolarHBondContact O-CB 3.32Å; T27-R30 PolarHBondContact O-N 3.33Å; I28-R30 VanDerWaalsContact C-N 3.26Å; I28-R30 PolarHBondContact O-N 3.48Å; R30-S33 PolarHBondContact O-N 3.03Å; R30-W34 WeakPolarHBondContact O-CB 3.2Å; R30-W34 PolarHBondContact O-N 3.49Å; R30-F86 HydrophobicContact CG-CB 4.14Å; R30-F86 HydrophobicContact CG-CD2 4.25Å; R30-D89 IonicContact CZ-OD2 3.11Å; R30-D89 VanDerWaalsContact CZ-OD2 3.31Å; R30-D89 IonicContact NE-OD2 3.22Å; R30-D89 PolarHBondContact NE-OD2 2.93Å; R30-D89 VanDerWaalsContact NE-OD2 3.11Å; R30-D89 VanDerWaalsContact NH2-CG 3.27Å; R30-D89 IonicContact NH2-OD1 2.66Å; R30-D89 PolarHBondContact NH2-OD1 2.78Å; R30-D89 IonicContact NH2-OD2 3.17Å; R30-D89 PolarHBondContact NH2-OD2 3.33Å; R30-E108 IonicContact CZ-OE1 3.31Å; R30-E108 IonicContact NH1-OE1 2.64Å; R30-E108 PolarHBondContact NH1-OE1 3.48Å; R30-E108 IonicContact NH2-OE1 3.57Å; R30-E108 PolarHBondContact NH2-OE1 2.86Å; R30-E108 IonicContact NH2-OE2 3.23Å; R30-L164 HydrophobicContact CB-CD2 4.35Å
31V95.7Very high92.4Very high65 Ų6548 Ų4839%0.39425%0.247SC..Hα-helixtrans-63.1-43.5177.2172.60000110.8T27 I28 W34 I35 F86T27-V31 WeakPolarHBondContact O-CG2 3.33Å; T27-V31 PolarHBondContact O-N 3.24Å; I28-V31 PolarHBondContact O-N 2.97Å; V31-W34 WeakPolarHBondContact O-CB 2.99Å; V31-W34 PolarHBondContact O-N 3.19Å; V31-I35 HydrophobicContact CG1-CD1 3.96Å; V31-I35 WeakPolarHBondContact O-CG1 3.3Å; V31-I35 PolarHBondContact O-N 3.38Å; V31-F86 HydrophobicContact CG2-CE2 4.36Å
32L96.9Very high93.5Very high65 Ų6548.4 Ų48.434%0.3425%0.254SS..Hα-helixtrans-61.6-46175.5-69.3175.1000111.9I28 W34 I35 F36 T160I28-L32 HydrophobicContact CG2-CD1 4.17Å; I28-L32 WeakPolarHBondContact O-CG 3.36Å; I28-L32 PolarHBondContact O-N 2.97Å; L32-W34 VanDerWaalsContact C-N 3.27Å; L32-W34 PolarHBondContact O-N 2.83Å; L32-I35 PolarHBondContact O-N 3Å; L32-F36 HydrophobicContact CB-CE2 4.42Å; L32-F36 HydrophobicContact CB-CZ 4.41Å; L32-F36 HydrophobicContact CD2-CZ 4.44Å; L32-F36 WeakPolarHBondContact O-CD1 3.32Å; L32-F36 WeakPolarHBondContact O-CG 3.41Å; L32-F36 PolarHBondContact O-N 3.35Å; L32-T160 HydrophobicContact CB-CG2 4.04Å
33S97.4Very high94.5Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-59.7-40.1176.7-56.40000111.4L29 R30 S37 C82 T160 L164L29-S33 WeakPolarHBondContact O-CB 3.42Å; L29-S33 PolarHBondContact O-N 3.35Å; L29-S33 PolarHBondContact O-OG 3.35Å; R30-S33 PolarHBondContact O-N 3.03Å; S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.33Å; S33-S37 PolarHBondContact O-N 3.2Å; S33-S37 PolarHBondContact O-OG 3.35Å; S33-C82 VanDerWaalsContact CB-SG 3.58Å; S33-T160 WeakPolarHBondContact OG-CB 3.32Å; S33-T160 PolarHBondContact OG-OG1 3.47Å; S33-L164 WeakPolarHBondContact OG-CD1 3.12Å
34W98Very high95.3Very high96 Ų9639.3 Ų39.336%0.36421%0.206SC..Hα-helixtrans-63.6-48176.3-173.790.2000111.6R30 V31 L32 F36 S37 L38 L79 C82 S83R30-W34 WeakPolarHBondContact O-CB 3.2Å; R30-W34 PolarHBondContact O-N 3.49Å; V31-W34 WeakPolarHBondContact O-CB 2.99Å; V31-W34 PolarHBondContact O-N 3.19Å; L32-W34 VanDerWaalsContact C-N 3.27Å; L32-W34 PolarHBondContact O-N 2.83Å; W34-F36 PolarHBondContact O-N 3.2Å; W34-S37 PolarHBondContact O-N 3.18Å; W34-L38 HydrophobicContact CH2-CD2 3.84Å; W34-L38 HydrophobicContact CZ3-CD2 3.81Å; W34-L38 WeakPolarHBondContact O-CB 3.35Å; W34-L38 PolarHBondContact O-N 2.97Å; W34-L79 HydrophobicContact CD2-CD1 3.81Å; W34-L79 VanDerWaalsContact CE2-CD1 3.49Å; W34-L79 HydrophobicContact CG-CD1 3.87Å; W34-L79 HydrophobicContact CZ2-CD1 4.06Å; W34-L79 VanDerWaalsContact NE1-CD1 3.32Å; W34-L79 WeakPolarHBondContact O-CD1 3.26Å; W34-C82 HydrophobicContact CB-CB 3.95Å; W34-C82 HydrophobicContact CG-CB 4.33Å; W34-S83 PolarHBondContact NE1-OG 3.43Å; W34-S83 VanDerWaalsContact NE1-OG 3.15Å
35I98.3Very high95.8Very high70 Ų7038.6 Ų38.636%0.35921%0.207SC..Hα-helixtrans-60.9-46.4177-67.1168.1000110.5V31 L32 S37 L38 V39V31-I35 HydrophobicContact CG1-CD1 3.96Å; V31-I35 WeakPolarHBondContact O-CG1 3.3Å; V31-I35 PolarHBondContact O-N 3.38Å; L32-I35 PolarHBondContact O-N 3Å; I35-S37 PolarHBondContact O-N 3.32Å; I35-L38 WeakPolarHBondContact O-CB 3.47Å; I35-L38 PolarHBondContact O-N 3.15Å; I35-V39 HydrophobicContact CG2-CG2 4.41Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.97Å
36F98.3Very high96Very high30 Ų3041.5 Ų41.513%0.13222%0.219CC..Hα-helixtrans-64.9-41.4-179.1-61.1-13.3000111.6L32 W34 L38 V39 V40 F153 F156 S157 T160L32-F36 HydrophobicContact CB-CE2 4.42Å; L32-F36 HydrophobicContact CB-CZ 4.41Å; L32-F36 HydrophobicContact CD2-CZ 4.44Å; L32-F36 WeakPolarHBondContact O-CD1 3.32Å; L32-F36 WeakPolarHBondContact O-CG 3.41Å; L32-F36 PolarHBondContact O-N 3.35Å; W34-F36 PolarHBondContact O-N 3.2Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.21Å; F36-V39 PolarHBondContact O-N 3Å; F36-V40 WeakPolarHBondContact O-CG2 3.41Å; F36-V40 PolarHBondContact O-N 2.61Å; F36-F153 HydrophobicContact CB-CD1 4.17Å; F36-F153 AromaticContact CD1-CD1 3.41Å; F36-F153 HydrophobicContact CD1-CD1 3.41Å; F36-F153 VanDerWaalsContact CD1-CD1 3.41Å; F36-F153 AromaticContact CD1-CE1 3.63Å; F36-F153 HydrophobicContact CD1-CE1 3.63Å; F36-F153 AromaticContact CE1-CD1 3.98Å; F36-F153 HydrophobicContact CE1-CD1 3.98Å; F36-F153 AromaticContact CE1-CE1 3.82Å; F36-F153 HydrophobicContact CE1-CE1 3.82Å; F36-F153 AromaticContact CG-CD1 3.94Å; F36-F153 HydrophobicContact CG-CD1 3.94Å; F36-F156 HydrophobicContact CD2-CB 3.8Å; F36-F156 HydrophobicContact CE2-CB 3.58Å; F36-F156 HydrophobicContact CG-CB 4.49Å; F36-F156 HydrophobicContact CZ-CB 4.13Å; F36-S157 VanDerWaalsContact CB-OG 3.3Å; F36-S157 WeakPolarHBondContact CB-OG 3.42Å; F36-T160 HydrophobicContact CD2-CG2 3.92Å; F36-T160 HydrophobicContact CE2-CG2 3.48Å; F36-T160 VanDerWaalsContact CE2-CG2 3.48Å
37S98.3Very high96.1Very high0 Ų045.7 Ų45.70%024%0.239CC..Hα-helixtrans-60.1-42.8174-54.90000111.7S33 W34 I35 V40 F41 G75 Y119S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.33Å; S33-S37 PolarHBondContact O-N 3.2Å; S33-S37 PolarHBondContact O-OG 3.35Å; W34-S37 PolarHBondContact O-N 3.18Å; I35-S37 PolarHBondContact O-N 3.32Å; S37-V40 PolarHBondContact O-N 3.21Å; S37-F41 WeakPolarHBondContact O-CB 3.48Å; S37-F41 PolarHBondContact O-N 3.14Å; S37-G75 WeakPolarHBondContact CB-O 3.49Å; S37-Y119 WeakPolarHBondContact CA-OH 3.11Å; S37-Y119 WeakPolarHBondContact CB-OH 3.32Å; S37-Y119 PolarHBondContact OG-OH 3.2Å
38L98.2Very high96Very high61 Ų6145.4 Ų45.432%0.31924%0.237SC..Hα-helixtrans-61.7-45.9176.3-178.663000111.5W34 I35 F36 F41 A42 L79W34-L38 HydrophobicContact CH2-CD2 3.84Å; W34-L38 HydrophobicContact CZ3-CD2 3.81Å; W34-L38 WeakPolarHBondContact O-CB 3.35Å; W34-L38 PolarHBondContact O-N 2.97Å; I35-L38 WeakPolarHBondContact O-CB 3.47Å; I35-L38 PolarHBondContact O-N 3.15Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.21Å; L38-F41 PolarHBondContact O-N 2.97Å; L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.48Å; L38-L79 HydrophobicContact CB-CD1 3.76Å; L38-L79 HydrophobicContact CD1-CD1 4.37Å; L38-L79 HydrophobicContact CD1-CD2 4.11Å
39V98.3Very high95.9Very high41 Ų4144.9 Ų44.925%0.24823%0.23CC..Hα-helixtrans-63.2-44.7179.7174.60000110.9I35 F36 S43 A149 F153I35-V39 HydrophobicContact CG2-CG2 4.41Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 2.97Å; F36-V39 PolarHBondContact O-N 3Å; V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 3.42Å; V39-S43 PolarHBondContact O-OG 3.05Å; V39-A149 HydrophobicContact CG1-CB 4.43Å; V39-F153 HydrophobicContact CB-CB 4.38Å; V39-F153 HydrophobicContact CB-CD1 4.24Å; V39-F153 HydrophobicContact CB-CD2 4.2Å; V39-F153 HydrophobicContact CB-CG 4.01Å; V39-F153 HydrophobicContact CG1-CB 4.18Å; V39-F153 HydrophobicContact CG1-CD1 4.26Å; V39-F153 HydrophobicContact CG1-CD2 3.36Å; V39-F153 HydrophobicContact CG1-CE2 3.71Å; V39-F153 HydrophobicContact CG1-CG 3.66Å; V39-F153 HydrophobicContact CG1-CZ 4.28Å; V39-F153 HydrophobicContact CG2-CD1 4.49Å; V39-F153 HydrophobicContact CG2-CE1 4.42Å
40V98.3Very high95.5Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-60.4-48.5176.8174.20000110.9F36 S37 S43 I44 Y119 F153F36-V40 WeakPolarHBondContact O-CG2 3.41Å; F36-V40 PolarHBondContact O-N 2.61Å; S37-V40 PolarHBondContact O-N 3.21Å; V40-S43 PolarHBondContact O-OG 3.29Å; V40-S43 VanDerWaalsContact O-OG 3.12Å; V40-I44 HydrophobicContact CG1-CD1 4.19Å; V40-I44 WeakPolarHBondContact O-CD1 3.22Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 2.96Å; V40-Y119 HydrophobicContact CG2-CE1 4.47Å; V40-F153 HydrophobicContact CG2-CB 3.73Å
41F98.2Very high95Very high50 Ų5046.3 Ų46.322%0.21924%0.238CC..Hα-helixtrans-62.6-53.1178.9168.5-109.6000112.3S37 L38 I44 V45 V72 L76S37-F41 WeakPolarHBondContact O-CB 3.48Å; S37-F41 PolarHBondContact O-N 3.14Å; L38-F41 PolarHBondContact O-N 2.97Å; F41-I44 PolarHBondContact O-N 3.33Å; F41-V45 HydrophobicContact CD2-CG2 3.93Å; F41-V45 HydrophobicContact CE2-CG2 3.56Å; F41-V45 HydrophobicContact CZ-CG2 4.02Å; F41-V45 WeakPolarHBondContact O-CG2 3.25Å; F41-V45 PolarHBondContact O-N 2.95Å; F41-V72 HydrophobicContact CD2-CG1 4.04Å; F41-V72 HydrophobicContact CE2-CG1 4.03Å; F41-L76 HydrophobicContact CD2-CB 3.79Å; F41-L76 HydrophobicContact CD2-CD1 4.38Å; F41-L76 HydrophobicContact CE1-CD1 4.49Å; F41-L76 HydrophobicContact CE2-CB 4.04Å; F41-L76 HydrophobicContact CE2-CD1 4.08Å; F41-L76 HydrophobicContact CE2-CD2 4.27Å; F41-L76 HydrophobicContact CE2-CG 4.36Å; F41-L76 HydrophobicContact CG-CB 4.44Å; F41-L76 HydrophobicContact CZ-CD1 4.15Å
42A97.6Very high94.1Very high28 Ų2845.2 Ų45.223%0.23123%0.23CC..Hα-helixtrans-68-38.9-173.300000112.4L38 I44 N46L38-A42 WeakPolarHBondContact O-CB 3.42Å; L38-A42 PolarHBondContact O-N 3.48Å; A42-I44 VanDerWaalsContact C-N 3.35Å; A42-I44 PolarHBondContact O-N 3.39Å; A42-N46 VanDerWaalsContact O-CB 3.28Å; A42-N46 WeakPolarHBondContact O-CB 3.26Å; A42-N46 PolarHBondContact O-N 3.35Å; A42-N46 PolarHBondContact O-ND2 2.87Å; A42-N46 VanDerWaalsContact O-ND2 3.14Å
43S96.5Very high92.9Very high16 Ų1646.1 Ų46.111%0.11226%0.256CS..Hα-helixtrans-61.5-43.1177.455.10000111.7V39 V40 E47 G48V39-S43 WeakPolarHBondContact O-CB 3.43Å; V39-S43 PolarHBondContact O-N 3.42Å; V39-S43 PolarHBondContact O-OG 3.05Å; V40-S43 PolarHBondContact O-OG 3.29Å; V40-S43 VanDerWaalsContact O-OG 3.12Å; S43-E47 PolarHBondContact O-N 3.5Å; S43-E47 VanDerWaalsContact O-N 3.09Å; S43-G48 PolarHBondContact O-N 3.21Å; S43-G48 VanDerWaalsContact O-N 3.16Å
44I96.3Very high91.6Very high1 Ų149.1 Ų49.11%0.00528%0.277CS..Hα-helixtrans-72.5-41.6-179.6-58.6170.3000111.6V40 F41 A42 G48 F61 C68 V72 L126 A150V40-I44 HydrophobicContact CG1-CD1 4.19Å; V40-I44 WeakPolarHBondContact O-CD1 3.22Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 2.96Å; F41-I44 PolarHBondContact O-N 3.33Å; A42-I44 VanDerWaalsContact C-N 3.35Å; A42-I44 PolarHBondContact O-N 3.39Å; I44-G48 WeakPolarHBondContact O-CA 3.41Å; I44-G48 PolarHBondContact O-N 2.91Å; I44-F61 HydrophobicContact CG1-CE2 4.4Å; I44-C68 HydrophobicContact CG2-CB 3.75Å; I44-V72 HydrophobicContact CB-CG2 3.92Å; I44-V72 HydrophobicContact CG2-CG2 3.55Å; I44-L126 HydrophobicContact CD1-CD2 4.18Å; I44-A150 HydrophobicContact CD1-CB 4Å; I44-A150 HydrophobicContact CG1-CB 3.78Å
45V95.8Very high90.5Very high69 Ų6953.8 Ų53.842%0.41830%0.302SS..Hα-helixtrans-70-39.3-178.1172.70000112.3F41 V72F41-V45 HydrophobicContact CD2-CG2 3.93Å; F41-V45 HydrophobicContact CE2-CG2 3.56Å; F41-V45 HydrophobicContact CZ-CG2 4.02Å; F41-V45 WeakPolarHBondContact O-CG2 3.25Å; F41-V45 PolarHBondContact O-N 2.95Å; V45-V72 HydrophobicContact CG2-CG1 4.31Å; V45-V72 HydrophobicContact CG2-CG2 3.84Å
46N93.3Very high89.5Confident127 Ų12759.6 Ų59.668%0.67932%0.32SS*.Hα-helixtrans-81.5-42.6-176.3-67.4-33.2000112.6A42A42-N46 VanDerWaalsContact O-CB 3.28Å; A42-N46 WeakPolarHBondContact O-CB 3.26Å; A42-N46 PolarHBondContact O-N 3.35Å; A42-N46 PolarHBondContact O-ND2 2.87Å; A42-N46 VanDerWaalsContact O-ND2 3.14Å
47E90.3Very high88.9Confident110 Ų11063.2 Ų63.251%0.51434%0.34SS..Hα-helixtrans-131.3-0.1-169.2-70.7-175.8-158.300113.7S43 Y49 G143 A146S43-E47 PolarHBondContact O-N 3.5Å; S43-E47 VanDerWaalsContact O-N 3.09Å; E47-Y49 PolarHBondContact O-N 3.28Å; E47-G143 WeakPolarHBondContact O-CA 3.03Å; E47-A146 HydrophobicContact CB-CB 3.48Å; E47-A146 VanDerWaalsContact CB-CB 3.48Å
48G87.8Confident88.5Confident1 Ų166.2 Ų66.21%0.0135%0.354CS..SBendtrans-76.9-5.3179.500000114.2S43 I44 C59 V60 C68S43-G48 PolarHBondContact O-N 3.21Å; S43-G48 VanDerWaalsContact O-N 3.16Å; I44-G48 WeakPolarHBondContact O-CA 3.41Å; I44-G48 PolarHBondContact O-N 2.91Å; G48-C59 CarbonylContact O-C 3.59Å; G48-C59 WeakPolarHBondContact O-CA 3.37Å; G48-V60 WeakPolarHBondContact O-CB 3.39Å; G48-V60 WeakPolarHBondContact O-CG1 3.36Å; G48-V60 PolarHBondContact O-N 3.08Å; G48-C68 PolarHBondContact O-SG 3.25Å
49Y90.3Very high88.2Confident71 Ų7163.5 Ų63.528%0.27834%0.34SS..EExtended strand (participates in β ladder)trans-119.7120.4177.8-68.8-88.7000110.8E47 H58 C59 C68 N69E47-Y49 PolarHBondContact O-N 3.28Å; Y49-H58 CarbonylContact C-O 3.52Å; Y49-H58 WeakPolarHBondContact CA-O 3.45Å; Y49-C59 HydrophobicContact CD1-CB 4.45Å; Y49-C59 HydrophobicContact CE1-CB 4.2Å; Y49-C68 HydrophobicContact CE1-CB 4.2Å; Y49-C68 HydrophobicContact CE2-CB 4.11Å; Y49-C68 WeakPolarHBondContact OH-CB 3.46Å; Y49-N69 PolarHBondContact OH-OD1 3.42Å
50V87.2Confident88Confident3 Ų361.7 Ų61.72%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-112.9146.9-174-67.70000111.2L52 H58 Q142V50-L52 HydrophobicContact CB-CD1 4.36Å; V50-L52 HydrophobicContact CG2-CD1 3.6Å; V50-H58 WeakPolarHBondContact CG2-O 3.41Å; V50-H58 PolarHBondContact N-O 2.87Å; V50-H58 PolarHBondContact O-N 3.03Å; V50-Q142 HydrophobicContact CG1-CB 4.3Å; V50-Q142 HydrophobicContact CG1-CG 4.25Å; V50-Q142 WeakPolarHBondContact CG1-O 3.41Å
51N84.4Confident87.8Confident68 Ų6861.7 Ų61.736%0.36433%0.329SS..EExtended strand (participates in β ladder)trans-98.8121174.2-174.1-30.6000109.6G53 S54N51-G53 PolarHBondContact O-N 3.46Å; N51-G53 PolarHBondContact OD1-N 2.86Å; N51-S54 PolarHBondContact ND2-O 3.46Å; N51-S54 PolarHBondContact OD1-N 3.21Å; N51-S54 PolarHBondContact OD1-O 3.13Å
52L77.1Confident87.6Confident42 Ų4261.4 Ų61.422%0.2233%0.33CS..  trans-100.750.8179.3-7279.3000111.6V50 S54 H58 D137V50-L52 HydrophobicContact CB-CD1 4.36Å; V50-L52 HydrophobicContact CG2-CD1 3.6Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.21Å; L52-H58 HydrophobicContact CD1-CB 4.17Å; L52-D137 HydrophobicContact CD2-CB 4.26Å
53G71.5Confident87.3Confident85 Ų8565.8 Ų65.888%0.87634%0.34SS*.SBendtrans67.327.3179.900000114N51N51-G53 PolarHBondContact O-N 3.46Å; N51-G53 PolarHBondContact OD1-N 2.86Å
54S69.2Low87.2Confident63 Ų6367.1 Ų67.144%0.44135%0.346SS..SBendtrans-132.3163.8179.7-179.50000109.6N51 L52 R56N51-S54 PolarHBondContact ND2-O 3.46Å; N51-S54 PolarHBondContact OD1-N 3.21Å; N51-S54 PolarHBondContact OD1-O 3.13Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 3.21Å; S54-R56 PolarHBondContact O-N 3.38Å
55E74.8Confident87.1Confident194 Ų19468.4 Ų68.491%0.90736%0.36SS*.SBendtrans-69.8-9.5175-74.6-173.8155.200113.3
56R78.8Confident87.1Confident191 Ų19170.4 Ų70.472%0.72137%0.368SS*.SBendtrans-101131.3-177.3-65.5-167.3176.9172.10.4112.7S54S54-R56 PolarHBondContact O-N 3.38Å
57L84.9Confident87.3Confident106 Ų10664.3 Ų64.356%0.55534%0.336SS*.EExtended strand (participates in β ladder)trans-79.4136.9169.8-92.377.3000110.6
58H89.7Confident87.6Confident63 Ų6359.1 Ų59.129%0.29231%0.311SS..EExtended strand (participates in β ladder)trans-117.6142.4177.4-69.3-70.2000110.9Y49 V50 L52 V60 R63Y49-H58 CarbonylContact C-O 3.52Å; Y49-H58 WeakPolarHBondContact CA-O 3.45Å; V50-H58 WeakPolarHBondContact CG2-O 3.41Å; V50-H58 PolarHBondContact N-O 2.87Å; V50-H58 PolarHBondContact O-N 3.03Å; L52-H58 HydrophobicContact CD1-CB 4.17Å; H58-V60 PolarHBondContact O-N 2.84Å; H58-R63 HydrophobicContact CB-CB 4.46Å; H58-R63 HydrophobicContact CB-CG 4.34Å
59C93.1Very high88.1Confident4 Ų463.3 Ų63.33%0.02733%0.334CS..EExtended strand (participates in β ladder)trans-60.1134.7173176.20000110.6G48 Y49 F61 R63 N64 C68G48-C59 CarbonylContact O-C 3.59Å; G48-C59 WeakPolarHBondContact O-CA 3.37Å; Y49-C59 HydrophobicContact CD1-CB 4.45Å; Y49-C59 HydrophobicContact CE1-CB 4.2Å; C59-F61 PolarHBondContact O-N 3.49Å; C59-F61 PolarHBondContact SG-N 2.94Å; C59-R63 WeakPolarHBondContact O-CA 3.34Å; C59-R63 PolarHBondContact O-N 3.22Å; C59-R63 VanDerWaalsContact O-N 3.16Å; C59-N64 WeakPolarHBondContact CB-O 3.39Å; C59-N64 PolarHBondContact SG-O 2.94Å; C59-C68 VanDerWaalsContact CA-SG 3.54Å; C59-C68 HydrophobicContact CB-CB 3.82Å; C59-C68 WeakPolarHBondContact CB-SG 3.38Å; C59-C68 WeakPolarHBondContact SG-CB 3.35Å; C59-C68 PolarHBondContact SG-N 3.01Å; C59-C68 VanDerWaalsContact SG-N 3.4Å; C59-C68 CovalentContact SG-SG 2.02Å; C59-C68 PolarHBondContact SG-SG 3.35Å
60V93.4Very high88.5Confident4 Ų462.4 Ų62.42%0.02433%0.33CS..THydrogen-bonded Turntrans-61.4-2518070.50000112.5G48 H58 N62 W130 T133 L138 A147G48-V60 WeakPolarHBondContact O-CB 3.39Å; G48-V60 WeakPolarHBondContact O-CG1 3.36Å; G48-V60 PolarHBondContact O-N 3.08Å; H58-V60 PolarHBondContact O-N 2.84Å; V60-N62 PolarHBondContact O-N 3.41Å; V60-N62 VanDerWaalsContact O-N 3.13Å; V60-W130 HydrophobicContact CG2-CZ3 3.98Å; V60-T133 WeakPolarHBondContact O-CG2 3.1Å; V60-L138 HydrophobicContact CG2-CD2 4.06Å; V60-A147 HydrophobicContact CG1-CB 3.82Å; V60-A147 HydrophobicContact CG2-CB 4.12Å
61F94.1Very high89Confident0 Ų062.2 Ų62.20%033%0.329CS..THydrogen-bonded Turntrans-8385.1178-63.9-69.6000111.7I44 C59 R63 N64 A67 L126 Q129 W130 A147 A150 I151I44-F61 HydrophobicContact CG1-CE2 4.4Å; C59-F61 PolarHBondContact O-N 3.49Å; C59-F61 PolarHBondContact SG-N 2.94Å; F61-R63 PolarHBondContact O-N 3.43Å; F61-R63 VanDerWaalsContact O-N 3.11Å; F61-N64 WeakPolarHBondContact O-CB 3.33Å; F61-N64 PolarHBondContact O-N 3.42Å; F61-A67 HydrophobicContact CB-CB 3.67Å; F61-A67 HydrophobicContact CD2-CB 4.44Å; F61-A67 HydrophobicContact CG-CB 4.3Å; F61-L126 HydrophobicContact CD1-CB 4.3Å; F61-L126 HydrophobicContact CD1-CG 4.4Å; F61-L126 WeakPolarHBondContact CD1-O 3.35Å; F61-L126 HydrophobicContact CD2-CG 4.25Å; F61-L126 HydrophobicContact CE1-CB 3.92Å; F61-L126 HydrophobicContact CE1-CD2 4.34Å; F61-L126 HydrophobicContact CE1-CG 4.06Å; F61-L126 HydrophobicContact CE2-CD2 3.83Å; F61-L126 HydrophobicContact CE2-CG 3.9Å; F61-L126 HydrophobicContact CG-CG 4.5Å; F61-L126 HydrophobicContact CZ-CB 4.1Å; F61-L126 HydrophobicContact CZ-CD2 3.67Å; F61-L126 HydrophobicContact CZ-CG 3.8Å; F61-Q129 HydrophobicContact CB-CB 3.79Å; F61-W130 HydrophobicContact CD1-CB 4.01Å; F61-W130 HydrophobicContact CD1-CE3 4.44Å; F61-W130 HydrophobicContact CE1-CB 4.17Å; F61-A147 HydrophobicContact CE1-CB 3.84Å; F61-A147 HydrophobicContact CZ-CB 3.87Å; F61-A150 HydrophobicContact CZ-CB 4.17Å; F61-I151 HydrophobicContact CE1-CD1 3.89Å; F61-I151 HydrophobicContact CE1-CG1 4.02Å; F61-I151 HydrophobicContact CZ-CG1 4.42Å
62N93.5Very high89.6Confident43 Ų4360.3 Ų60.323%0.2332%0.32CS..THydrogen-bonded Turntrans50.638.3175.9-178.537.3000112.9V60 N64 Q129 R132 T133V60-N62 PolarHBondContact O-N 3.41Å; V60-N62 VanDerWaalsContact O-N 3.13Å; N62-N64 PolarHBondContact O-N 3.38Å; N62-Q129 HydrophobicContact CB-CB 4.39Å; N62-Q129 VanDerWaalsContact CB-O 3.28Å; N62-Q129 WeakPolarHBondContact CB-O 3.37Å; N62-Q129 PolarHBondContact ND2-NE2 3.1Å; N62-R132 HydrophobicContact CB-CB 4.43Å; N62-T133 PolarHBondContact N-OG1 2.98Å
63R91.9Very high90.6Very high121 Ų12163.4 Ų63.446%0.45733%0.332SS..THydrogen-bonded Turntrans54.118.4-178-52.2-179.5-173.3-170.5-1.5114.3H58 C59 F61 D137H58-R63 HydrophobicContact CB-CB 4.46Å; H58-R63 HydrophobicContact CB-CG 4.34Å; C59-R63 WeakPolarHBondContact O-CA 3.34Å; C59-R63 PolarHBondContact O-N 3.22Å; C59-R63 VanDerWaalsContact O-N 3.16Å; F61-R63 PolarHBondContact O-N 3.43Å; F61-R63 VanDerWaalsContact O-N 3.11Å; R63-D137 IonicContact CZ-OD1 2.62Å; R63-D137 VanDerWaalsContact CZ-OD1 3.22Å; R63-D137 IonicContact NE-OD1 3.86Å; R63-D137 PolarHBondContact NE-OD1 2.95Å; R63-D137 IonicContact NE-OD2 2.9Å; R63-D137 IonicContact NH2-OD1 3.22Å; R63-D137 PolarHBondContact NH2-OD1 3.1Å
64N93.6Very high91.9Very high43 Ų4359.3 Ų59.323%0.2329%0.29CS..  trans-93.3105.4-177.8-174.2-5.7000109.8C59 F61 N62 D66 A67 Q129C59-N64 WeakPolarHBondContact CB-O 3.39Å; C59-N64 PolarHBondContact SG-O 2.94Å; F61-N64 WeakPolarHBondContact O-CB 3.33Å; F61-N64 PolarHBondContact O-N 3.42Å; N62-N64 PolarHBondContact O-N 3.38Å; N64-D66 PolarHBondContact O-N 3.46Å; N64-D66 WeakPolarHBondContact OD1-CB 3.36Å; N64-D66 PolarHBondContact OD1-N 2.86Å; N64-A67 HydrophobicContact CB-CB 4.33Å; N64-A67 WeakPolarHBondContact O-CB 3.43Å; N64-A67 PolarHBondContact O-N 3.11Å; N64-A67 VanDerWaalsContact O-N 3.11Å; N64-Q129 VanDerWaalsContact CB-NE2 3.27Å; N64-Q129 PolarHBondContact ND2-NE2 2.67Å
65G94.1Very high93.3Very high29 Ų2956.3 Ų56.330%0.29927%0.269SS..Hα-helixtrans-57-32.9177.800000113.2A67 C68 N69G65-A67 PolarHBondContact O-N 3.28Å; G65-C68 PolarHBondContact O-N 3.05Å; G65-N69 WeakPolarHBondContact O-CB 3.45Å; G65-N69 VanDerWaalsContact O-CG 3.26Å; G65-N69 PolarHBondContact O-N 3.34Å; G65-N69 PolarHBondContact O-ND2 3.5Å
66D96.8Very high94.4Very high110 Ų11050.1 Ų50.159%0.58824%0.242SC*.Hα-helixtrans-65.3-30.3-179.9-60.1-30.3000112N64 Y70N64-D66 PolarHBondContact O-N 3.46Å; N64-D66 WeakPolarHBondContact OD1-CB 3.36Å; N64-D66 PolarHBondContact OD1-N 2.86Å; D66-Y70 WeakPolarHBondContact O-CB 3.33Å; D66-Y70 PolarHBondContact O-N 3.15Å
67A96.8Very high95.4Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-68.4-48176.900000111.9F61 N64 G65 Y70 G71 F125 Q129F61-A67 HydrophobicContact CB-CB 3.67Å; F61-A67 HydrophobicContact CD2-CB 4.44Å; F61-A67 HydrophobicContact CG-CB 4.3Å; N64-A67 HydrophobicContact CB-CB 4.33Å; N64-A67 WeakPolarHBondContact O-CB 3.43Å; N64-A67 PolarHBondContact O-N 3.11Å; N64-A67 VanDerWaalsContact O-N 3.11Å; G65-A67 PolarHBondContact O-N 3.28Å; A67-Y70 PolarHBondContact O-N 2.87Å; A67-G71 PolarHBondContact O-N 3.4Å; A67-F125 VanDerWaalsContact CA-CE1 3.45Å; A67-F125 HydrophobicContact CB-CD1 4.46Å; A67-F125 HydrophobicContact CB-CE1 3.92Å; A67-F125 HydrophobicContact CB-CZ 4.04Å; A67-Q129 HydrophobicContact CB-CB 4.36Å; A67-Q129 HydrophobicContact CB-CG 4.04Å
68C96.8Very high96Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-64.7-45175.2-75.30000111.2I44 G48 Y49 C59 G65 Y70 G71 V72I44-C68 HydrophobicContact CG2-CB 3.75Å; G48-C68 PolarHBondContact O-SG 3.25Å; Y49-C68 HydrophobicContact CE1-CB 4.2Å; Y49-C68 HydrophobicContact CE2-CB 4.11Å; Y49-C68 WeakPolarHBondContact OH-CB 3.46Å; C59-C68 VanDerWaalsContact CA-SG 3.54Å; C59-C68 HydrophobicContact CB-CB 3.82Å; C59-C68 WeakPolarHBondContact CB-SG 3.38Å; C59-C68 WeakPolarHBondContact SG-CB 3.35Å; C59-C68 PolarHBondContact SG-N 3.01Å; C59-C68 VanDerWaalsContact SG-N 3.4Å; C59-C68 CovalentContact SG-SG 2.02Å; C59-C68 PolarHBondContact SG-SG 3.35Å; G65-C68 PolarHBondContact O-N 3.05Å; C68-Y70 VanDerWaalsContact C-N 3.33Å; C68-Y70 PolarHBondContact O-N 2.96Å; C68-G71 PolarHBondContact O-N 3.34Å; C68-V72 WeakPolarHBondContact O-CB 3.42Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.4Å; C68-V72 PolarHBondContact O-N 3.19Å
69N97.8Very high96.3Very high90 Ų9036.1 Ų36.148%0.48119%0.185SC..Hα-helixtrans-60.8-41.8178.1-73.3-29.2000111.9Y49 G65 V72 F73Y49-N69 PolarHBondContact OH-OD1 3.42Å; G65-N69 WeakPolarHBondContact O-CB 3.45Å; G65-N69 VanDerWaalsContact O-CG 3.26Å; G65-N69 PolarHBondContact O-N 3.34Å; G65-N69 PolarHBondContact O-ND2 3.5Å; N69-V72 PolarHBondContact O-N 3.47Å; N69-F73 VanDerWaalsContact O-CB 3.31Å; N69-F73 WeakPolarHBondContact O-CB 3.33Å; N69-F73 PolarHBondContact O-N 2.93Å
70Y98.3Very high96.6Very high51 Ų5141.1 Ų41.120%0.221%0.211CC..Hα-helixtrans-62.1-49.5175.8-174.5-87.5000111.5D66 A67 C68 V72 F73 V74 L118 V121 F125 L126D66-Y70 WeakPolarHBondContact O-CB 3.33Å; D66-Y70 PolarHBondContact O-N 3.15Å; A67-Y70 PolarHBondContact O-N 2.87Å; C68-Y70 VanDerWaalsContact C-N 3.33Å; C68-Y70 PolarHBondContact O-N 2.96Å; Y70-V72 PolarHBondContact O-N 3.43Å; Y70-F73 PolarHBondContact O-N 3.44Å; Y70-V74 HydrophobicContact CD1-CG2 4.07Å; Y70-V74 HydrophobicContact CE1-CG2 3.54Å; Y70-V74 HydrophobicContact CE2-CG2 4.32Å; Y70-V74 WeakPolarHBondContact O-CG2 3.39Å; Y70-V74 PolarHBondContact O-N 3.24Å; Y70-L118 PolarHBondContact OH-O 2.9Å; Y70-V121 HydrophobicContact CE1-CG1 4.27Å; Y70-V121 HydrophobicContact CE2-CG1 4.36Å; Y70-V121 WeakPolarHBondContact OH-CB 3.43Å; Y70-V121 WeakPolarHBondContact OH-CG1 3.15Å; Y70-F125 HydrophobicContact CD1-CD1 4.25Å; Y70-F125 HydrophobicContact CG-CD1 4.18Å; Y70-L126 HydrophobicContact CD1-CD1 4.42Å
71G97.6Very high96.7Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-61.7-40.9177.800000113A67 C68 G75A67-G71 PolarHBondContact O-N 3.4Å; C68-G71 PolarHBondContact O-N 3.34Å; G71-G75 PolarHBondContact O-N 3.48Å
72V98.3Very high96.8Very high28 Ų2841.4 Ų41.417%0.1721%0.214CC..Hα-helixtrans-62.4-46.2174.4168.40000111F41 I44 V45 C68 N69 Y70 G75 L76F41-V72 HydrophobicContact CD2-CG1 4.04Å; F41-V72 HydrophobicContact CE2-CG1 4.03Å; I44-V72 HydrophobicContact CB-CG2 3.92Å; I44-V72 HydrophobicContact CG2-CG2 3.55Å; V45-V72 HydrophobicContact CG2-CG1 4.31Å; V45-V72 HydrophobicContact CG2-CG2 3.84Å; C68-V72 WeakPolarHBondContact O-CB 3.42Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.4Å; C68-V72 PolarHBondContact O-N 3.19Å; N69-V72 PolarHBondContact O-N 3.47Å; Y70-V72 PolarHBondContact O-N 3.43Å; V72-G75 PolarHBondContact O-N 2.92Å; V72-L76 WeakPolarHBondContact O-CB 3.28Å; V72-L76 PolarHBondContact O-N 2.82Å
73F98.5Very high96.9Very high106 Ų10641.7 Ų41.747%0.46522%0.219SC..Hα-helixtrans-60.1-50.9178.4172.4-98.2000111.4N69 Y70 G75 L76 V77 W115N69-F73 VanDerWaalsContact O-CB 3.31Å; N69-F73 WeakPolarHBondContact O-CB 3.33Å; N69-F73 PolarHBondContact O-N 2.93Å; Y70-F73 PolarHBondContact O-N 3.44Å; F73-G75 VanDerWaalsContact C-N 3.35Å; F73-G75 PolarHBondContact O-N 3.34Å; F73-L76 PolarHBondContact O-N 2.95Å; F73-V77 HydrophobicContact CD2-CG2 3.95Å; F73-V77 HydrophobicContact CE2-CG2 3.73Å; F73-V77 HydrophobicContact CZ-CG2 4.2Å; F73-V77 WeakPolarHBondContact O-CB 3.33Å; F73-V77 WeakPolarHBondContact O-CG2 3.19Å; F73-V77 PolarHBondContact O-N 3.47Å; F73-W115 HydrophobicContact CE1-CH2 4.01Å; F73-W115 HydrophobicContact CZ-CH2 4.39Å
74V98.4Very high97.1Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-65.2-39.1-179.5176.90000111.3Y70 G78 W115 L118 Y119Y70-V74 HydrophobicContact CD1-CG2 4.07Å; Y70-V74 HydrophobicContact CE1-CG2 3.54Å; Y70-V74 HydrophobicContact CE2-CG2 4.32Å; Y70-V74 WeakPolarHBondContact O-CG2 3.39Å; Y70-V74 PolarHBondContact O-N 3.24Å; V74-G78 PolarHBondContact O-N 3.04Å; V74-G78 VanDerWaalsContact O-N 3.13Å; V74-W115 HydrophobicContact CB-CZ2 4.48Å; V74-W115 HydrophobicContact CG1-CZ2 4.27Å; V74-W115 WeakPolarHBondContact O-CZ2 3.38Å; V74-W115 PolarHBondContact O-NE1 3.24Å; V74-L118 HydrophobicContact CG2-CB 4.32Å; V74-Y119 HydrophobicContact CG1-CD1 3.68Å; V74-Y119 HydrophobicContact CG1-CD2 4.06Å; V74-Y119 HydrophobicContact CG1-CE1 3.6Å; V74-Y119 HydrophobicContact CG1-CE2 3.99Å; V74-Y119 HydrophobicContact CG1-CG 3.9Å; V74-Y119 PolarHBondContact O-OH 2.86Å
75G98.2Very high97.2Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-65.6-50.8175.300000112.9S37 G71 V72 F73 G78 L79S37-G75 WeakPolarHBondContact CB-O 3.49Å; G71-G75 PolarHBondContact O-N 3.48Å; V72-G75 PolarHBondContact O-N 2.92Å; F73-G75 VanDerWaalsContact C-N 3.35Å; F73-G75 PolarHBondContact O-N 3.34Å; G75-G78 PolarHBondContact O-N 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 3.37Å
76L98.5Very high97.1Very high64 Ų6441.1 Ų41.134%0.33521%0.21SC..Hα-helixtrans-68.4-48.3-174.8179.760000112.4F41 V72 F73 G78 L79 L80F41-L76 HydrophobicContact CD2-CB 3.79Å; F41-L76 HydrophobicContact CD2-CD1 4.38Å; F41-L76 HydrophobicContact CE1-CD1 4.49Å; F41-L76 HydrophobicContact CE2-CB 4.04Å; F41-L76 HydrophobicContact CE2-CD1 4.08Å; F41-L76 HydrophobicContact CE2-CD2 4.27Å; F41-L76 HydrophobicContact CE2-CG 4.36Å; F41-L76 HydrophobicContact CG-CB 4.44Å; F41-L76 HydrophobicContact CZ-CD1 4.15Å; V72-L76 WeakPolarHBondContact O-CB 3.28Å; V72-L76 PolarHBondContact O-N 2.82Å; F73-L76 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.3Å; L76-G78 PolarHBondContact O-N 3.32Å; L76-L79 WeakPolarHBondContact O-CB 3.22Å; L76-L79 PolarHBondContact O-N 2.9Å; L76-L80 HydrophobicContact CD1-CD1 4.5Å; L76-L80 HydrophobicContact CG-CD1 4.43Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 2.64Å
77V98.5Very high96.9Very high43 Ų4341.1 Ų41.126%0.26121%0.209SC..Hα-helixtrans-68.1-35.4179.4175.80000110.4F73 L79 L80 A81 F111 W115F73-V77 HydrophobicContact CD2-CG2 3.95Å; F73-V77 HydrophobicContact CE2-CG2 3.73Å; F73-V77 HydrophobicContact CZ-CG2 4.2Å; F73-V77 WeakPolarHBondContact O-CB 3.33Å; F73-V77 WeakPolarHBondContact O-CG2 3.19Å; F73-V77 PolarHBondContact O-N 3.47Å; V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.95Å; V77-L80 PolarHBondContact O-N 2.79Å; V77-A81 VanDerWaalsContact O-CB 3.22Å; V77-A81 WeakPolarHBondContact O-CB 3.41Å; V77-A81 PolarHBondContact O-N 3.17Å; V77-F111 HydrophobicContact CG1-CZ 4.37Å; V77-W115 HydrophobicContact CB-CH2 3.35Å; V77-W115 HydrophobicContact CB-CZ2 3.54Å; V77-W115 HydrophobicContact CB-CZ3 4.33Å; V77-W115 HydrophobicContact CG1-CH2 3.2Å; V77-W115 HydrophobicContact CG1-CZ2 3.7Å; V77-W115 HydrophobicContact CG1-CZ3 3.69Å; V77-W115 HydrophobicContact CG2-CH2 4.34Å
78G97.7Very high96.6Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-60.4-42172.600000112.6V74 G75 L76 C82 W115V74-G78 PolarHBondContact O-N 3.04Å; V74-G78 VanDerWaalsContact O-N 3.13Å; G75-G78 PolarHBondContact O-N 3.31Å; L76-G78 VanDerWaalsContact C-N 3.3Å; L76-G78 PolarHBondContact O-N 3.32Å; G78-C82 WeakPolarHBondContact O-CB 3.39Å; G78-C82 PolarHBondContact O-N 3.25Å; G78-C82 PolarHBondContact O-SG 2.96Å; G78-C82 VanDerWaalsContact O-SG 3.37Å; G78-W115 VanDerWaalsContact N-CZ2 3.28Å
79L97.4Very high96.2Very high22 Ų2244.1 Ų44.112%0.11523%0.225CC..Hα-helixtrans-61.5-51.1176-170.674.2000111.6W34 L38 G75 L76 V77 C82 S83W34-L79 HydrophobicContact CD2-CD1 3.81Å; W34-L79 VanDerWaalsContact CE2-CD1 3.49Å; W34-L79 HydrophobicContact CG-CD1 3.87Å; W34-L79 HydrophobicContact CZ2-CD1 4.06Å; W34-L79 VanDerWaalsContact NE1-CD1 3.32Å; W34-L79 WeakPolarHBondContact O-CD1 3.26Å; L38-L79 HydrophobicContact CB-CD1 3.76Å; L38-L79 HydrophobicContact CD1-CD1 4.37Å; L38-L79 HydrophobicContact CD1-CD2 4.11Å; G75-L79 WeakPolarHBondContact O-CB 3.31Å; G75-L79 PolarHBondContact O-N 3.37Å; L76-L79 WeakPolarHBondContact O-CB 3.22Å; L76-L79 PolarHBondContact O-N 2.9Å; V77-L79 VanDerWaalsContact C-N 3.33Å; V77-L79 PolarHBondContact O-N 2.95Å; L79-C82 PolarHBondContact O-N 2.66Å; L79-S83 PolarHBondContact O-N 3.31Å; L79-S83 PolarHBondContact O-OG 3.23Å
80L98.1Very high95.7Very high109 Ų10944.7 Ų44.757%0.57122%0.221SC*.Hα-helixtrans-63.5-42.8179.9-67.4175.5000111.8L76 V77 S83 F84L76-L80 HydrophobicContact CD1-CD1 4.5Å; L76-L80 HydrophobicContact CG-CD1 4.43Å; L76-L80 WeakPolarHBondContact O-CG 3.48Å; L76-L80 PolarHBondContact O-N 2.64Å; V77-L80 PolarHBondContact O-N 2.79Å; L80-S83 PolarHBondContact O-N 2.9Å; L80-F84 PolarHBondContact O-N 3.26Å
81A96.9Very high95.1Very high10 Ų1047.7 Ų47.78%0.08324%0.235CC..Hα-helixtrans-63.3-44.2176.300000111.4V77 S83 F84 F85 F111 W161V77-A81 VanDerWaalsContact O-CB 3.22Å; V77-A81 WeakPolarHBondContact O-CB 3.41Å; V77-A81 PolarHBondContact O-N 3.17Å; A81-S83 VanDerWaalsContact C-N 3.31Å; A81-S83 PolarHBondContact O-N 2.87Å; A81-F84 PolarHBondContact O-N 3.41Å; A81-F85 HydrophobicContact CB-CD2 4.35Å; A81-F85 HydrophobicContact CB-CE2 4.35Å; A81-F85 WeakPolarHBondContact O-CD2 3.32Å; A81-F85 PolarHBondContact O-N 2.87Å; A81-F111 HydrophobicContact CB-CD1 4.13Å; A81-F111 HydrophobicContact CB-CE1 3.22Å; A81-F111 HydrophobicContact CB-CE2 4.2Å; A81-F111 HydrophobicContact CB-CZ 3.26Å; A81-W161 HydrophobicContact CB-CH2 4.17Å
82C95.6Very high94.4Very high1 Ų149.5 Ų49.51%0.00724%0.243CC..Hα-helixtrans-57.1-44.3174.2-810000111.9S33 W34 G78 L79 F86 W161S33-C82 VanDerWaalsContact CB-SG 3.58Å; W34-C82 HydrophobicContact CB-CB 3.95Å; W34-C82 HydrophobicContact CG-CB 4.33Å; G78-C82 WeakPolarHBondContact O-CB 3.39Å; G78-C82 PolarHBondContact O-N 3.25Å; G78-C82 PolarHBondContact O-SG 2.96Å; G78-C82 VanDerWaalsContact O-SG 3.37Å; L79-C82 PolarHBondContact O-N 2.66Å; C82-F86 WeakPolarHBondContact O-CB 3.41Å; C82-F86 PolarHBondContact O-N 2.84Å; C82-W161 WeakPolarHBondContact SG-CZ2 3.38Å
83S95.6Very high93.4Very high48 Ų4850 Ų5034%0.33625%0.247SC..Hα-helixtrans-62.8-44.1176.2-650000112.4W34 L79 L80 A81 F86 L87W34-S83 PolarHBondContact NE1-OG 3.43Å; W34-S83 VanDerWaalsContact NE1-OG 3.15Å; L79-S83 PolarHBondContact O-N 3.31Å; L79-S83 PolarHBondContact O-OG 3.23Å; L80-S83 PolarHBondContact O-N 2.9Å; A81-S83 VanDerWaalsContact C-N 3.31Å; A81-S83 PolarHBondContact O-N 2.87Å; S83-F86 PolarHBondContact O-N 3.13Å; S83-L87 WeakPolarHBondContact O-CG 3.4Å; S83-L87 PolarHBondContact O-N 2.86Å; S83-L87 VanDerWaalsContact O-N 3.13Å
84F96.1Very high92.4Very high104 Ų10447.7 Ų47.746%0.45625%0.245SC..Hα-helixtrans-60.6-50.5176.4170.4-105.6000111.9L80 A81 F86 L87 L88 L107L80-F84 PolarHBondContact O-N 3.26Å; A81-F84 PolarHBondContact O-N 3.41Å; F84-F86 VanDerWaalsContact C-N 3.34Å; F84-F86 PolarHBondContact O-N 3.37Å; F84-L87 WeakPolarHBondContact O-CB 3.36Å; F84-L87 PolarHBondContact O-N 2.87Å; F84-L88 HydrophobicContact CD1-CD1 3.96Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.29Å; F84-L88 HydrophobicContact CE1-CG 4.06Å; F84-L88 HydrophobicContact CE2-CD1 4.27Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CE2-CG 4.23Å; F84-L88 HydrophobicContact CZ-CD1 3.48Å; F84-L88 VanDerWaalsContact CZ-CD1 3.48Å; F84-L88 HydrophobicContact CZ-CD2 4.2Å; F84-L88 HydrophobicContact CZ-CG 3.93Å; F84-L88 PolarHBondContact O-N 2.9Å; F84-L107 HydrophobicContact CE1-CD2 4.21Å
85F94.7Very high91.5Very high4 Ų449.7 Ų49.72%0.01826%0.255CS..Hα-helixtrans-68.9-31.9-179.7-75.4-67.4000113.2A81 L87 L88 D89 L107 E108 F111A81-F85 HydrophobicContact CB-CD2 4.35Å; A81-F85 HydrophobicContact CB-CE2 4.35Å; A81-F85 WeakPolarHBondContact O-CD2 3.32Å; A81-F85 PolarHBondContact O-N 2.87Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 2.94Å; F85-L88 HydrophobicContact CD1-CD1 3.83Å; F85-L88 HydrophobicContact CE1-CD1 4.18Å; F85-L88 WeakPolarHBondContact O-CB 3.5Å; F85-L88 PolarHBondContact O-N 3.34Å; F85-D89 VanDerWaalsContact O-CG 3.25Å; F85-D89 PolarHBondContact O-N 3.31Å; F85-L107 HydrophobicContact CE1-CD2 3.34Å; F85-L107 HydrophobicContact CZ-CD2 3.35Å; F85-E108 HydrophobicContact CD1-CB 4.11Å; F85-E108 HydrophobicContact CD1-CG 4.09Å; F85-E108 VanDerWaalsContact CE1-CA 3.5Å; F85-E108 HydrophobicContact CE1-CB 3.71Å; F85-E108 HydrophobicContact CE1-CG 4.06Å; F85-E108 HydrophobicContact CZ-CB 4.45Å; F85-F111 HydrophobicContact CD2-CD1 4.47Å; F85-F111 HydrophobicContact CE2-CB 3.91Å; F85-F111 AromaticContact CE2-CD1 3.52Å; F85-F111 HydrophobicContact CE2-CD1 3.52Å; F85-F111 HydrophobicContact CE2-CD2 4.48Å; F85-F111 HydrophobicContact CE2-CE1 4.21Å; F85-F111 AromaticContact CE2-CG 3.7Å; F85-F111 HydrophobicContact CE2-CG 3.7Å; F85-F111 HydrophobicContact CZ-CB 3.7Å; F85-F111 HydrophobicContact CZ-CD1 4.22Å; F85-F111 AromaticContact CZ-CG 3.97Å; F85-F111 HydrophobicContact CZ-CG 3.97Å
86F92.8Very high90.4Very high74 Ų7454.1 Ų54.133%0.32529%0.286SS..Hα-helixtrans-60.3-43.3171.3-176.6-87.3000111.4F21 T27 R30 V31 C82 S83 F84 D89 Y90F21-F86 HydrophobicContact CE1-CE2 4.08Å; F21-F86 AromaticContact CE1-CZ 3.96Å; F21-F86 HydrophobicContact CE1-CZ 3.96Å; T27-F86 HydrophobicContact CG2-CE2 3.86Å; R30-F86 HydrophobicContact CG-CB 4.14Å; R30-F86 HydrophobicContact CG-CD2 4.25Å; V31-F86 HydrophobicContact CG2-CE2 4.36Å; C82-F86 WeakPolarHBondContact O-CB 3.41Å; C82-F86 PolarHBondContact O-N 2.84Å; S83-F86 PolarHBondContact O-N 3.13Å; F84-F86 VanDerWaalsContact C-N 3.34Å; F84-F86 PolarHBondContact O-N 3.37Å; F86-D89 PolarHBondContact O-N 3.49Å; F86-Y90 PolarHBondContact O-N 3.07Å
87L91.9Very high89.5Confident109 Ų10952.8 Ų52.857%0.57128%0.282SS*.Hα-helixtrans-65.7-39174.5-68.4174.2000111.9S83 F84 F85 Y90 K91S83-L87 WeakPolarHBondContact O-CG 3.4Å; S83-L87 PolarHBondContact O-N 2.86Å; S83-L87 VanDerWaalsContact O-N 3.13Å; F84-L87 WeakPolarHBondContact O-CB 3.36Å; F84-L87 PolarHBondContact O-N 2.87Å; F85-L87 VanDerWaalsContact C-N 3.32Å; F85-L87 PolarHBondContact O-N 2.94Å; L87-Y90 PolarHBondContact O-N 2.9Å; L87-K91 PolarHBondContact O-N 3.33Å
88L91Very high88.6Confident47 Ų4753.3 Ų53.325%0.24629%0.286CS..Hα-helixtrans-61.3-43173.7-73.2-177.2000111.9F84 F85 K91 F92F84-L88 HydrophobicContact CD1-CD1 3.96Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.29Å; F84-L88 HydrophobicContact CE1-CG 4.06Å; F84-L88 HydrophobicContact CE2-CD1 4.27Å; F84-L88 HydrophobicContact CE2-CD2 4.39Å; F84-L88 HydrophobicContact CE2-CG 4.23Å; F84-L88 HydrophobicContact CZ-CD1 3.48Å; F84-L88 VanDerWaalsContact CZ-CD1 3.48Å; F84-L88 HydrophobicContact CZ-CD2 4.2Å; F84-L88 HydrophobicContact CZ-CG 3.93Å; F84-L88 PolarHBondContact O-N 2.9Å; F85-L88 HydrophobicContact CD1-CD1 3.83Å; F85-L88 HydrophobicContact CE1-CD1 4.18Å; F85-L88 WeakPolarHBondContact O-CB 3.5Å; F85-L88 PolarHBondContact O-N 3.34Å; L88-K91 CarbonylContact O-C 3.23Å; L88-K91 PolarHBondContact O-N 3.2Å; L88-F92 WeakPolarHBondContact O-CA 3.31Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 PolarHBondContact O-N 3.33Å
89D88.7Confident87.9Confident16 Ų1661 Ų619%0.08632%0.319CS..Hα-helixtrans-61.3-45.7175.9-68.9-32000111.1F21 Q26 R30 F85 F86 K91 F92 K171F21-D89 HydrophobicContact CE2-CB 4.16Å; F21-D89 HydrophobicContact CZ-CB 3.97Å; Q26-D89 PolarHBondContact NE2-OD1 3.26Å; R30-D89 IonicContact CZ-OD2 3.11Å; R30-D89 VanDerWaalsContact CZ-OD2 3.31Å; R30-D89 IonicContact NE-OD2 3.22Å; R30-D89 PolarHBondContact NE-OD2 2.93Å; R30-D89 VanDerWaalsContact NE-OD2 3.11Å; R30-D89 VanDerWaalsContact NH2-CG 3.27Å; R30-D89 IonicContact NH2-OD1 2.66Å; R30-D89 PolarHBondContact NH2-OD1 2.78Å; R30-D89 IonicContact NH2-OD2 3.17Å; R30-D89 PolarHBondContact NH2-OD2 3.33Å; F85-D89 VanDerWaalsContact O-CG 3.25Å; F85-D89 PolarHBondContact O-N 3.31Å; F86-D89 PolarHBondContact O-N 3.49Å; D89-K91 VanDerWaalsContact C-N 3.3Å; D89-K91 PolarHBondContact O-N 3.01Å; D89-F92 VanDerWaalsContact O-CB 3.27Å; D89-F92 WeakPolarHBondContact O-CB 3.36Å; D89-F92 PolarHBondContact O-N 3.08Å; D89-K171 IonicContact OD1-NZ 3.91Å
90Y86.3Confident87.3Confident103 Ų10363.7 Ų63.740%0.40433%0.333SS..Hα-helixtrans-61.8-37.4178.5179.9-106.2000112.6F86 L87F86-Y90 PolarHBondContact O-N 3.07Å; L87-Y90 PolarHBondContact O-N 2.9Å
91K85.8Confident86.8Confident113 Ų11359.4 Ų59.449%0.49131%0.31SS..Hα-helixtrans-92-0.1178.7-63.7-59.3-173.3-178.40113.8L87 L88 D89 S93 S94L87-K91 PolarHBondContact O-N 3.33Å; L88-K91 CarbonylContact O-C 3.23Å; L88-K91 PolarHBondContact O-N 3.2Å; D89-K91 VanDerWaalsContact C-N 3.3Å; D89-K91 PolarHBondContact O-N 3.01Å; K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.13Å; K91-S94 WeakPolarHBondContact O-CB 3.22Å; K91-S94 PolarHBondContact O-N 3.04Å
92F83.9Confident86.4Confident39 Ų3962.9 Ų62.917%0.17132%0.323CS..G310 helixtrans-59.4-40.9-171.4-166.3-96.8000112.6L88 D89 S94 I95 R101 V105 K171L88-F92 WeakPolarHBondContact O-CA 3.31Å; L88-F92 WeakPolarHBondContact O-CB 3.39Å; L88-F92 PolarHBondContact O-N 3.33Å; D89-F92 VanDerWaalsContact O-CB 3.27Å; D89-F92 WeakPolarHBondContact O-CB 3.36Å; D89-F92 PolarHBondContact O-N 3.08Å; F92-S94 VanDerWaalsContact C-N 3.25Å; F92-S94 PolarHBondContact O-N 2.94Å; F92-I95 HydrophobicContact CD2-CD1 4.37Å; F92-I95 PolarHBondContact O-N 3.47Å; F92-R101 HydrophobicContact CE1-CG 4.47Å; F92-R101 HydrophobicContact CE2-CB 4.34Å; F92-R101 HydrophobicContact CE2-CG 4.43Å; F92-R101 HydrophobicContact CZ-CB 3.98Å; F92-R101 HydrophobicContact CZ-CG 4.11Å; F92-V105 HydrophobicContact CE2-CG2 3.76Å; F92-V105 HydrophobicContact CZ-CG2 3.78Å; F92-K171 VanDerWaalsContact CE1-CE 3.41Å
93S77.3Confident86.2Confident37 Ų3769.6 Ų69.626%0.25935%0.352SS..G310 helixtrans-65.4-2717759.10000113.3K91 I95 R101K91-S93 VanDerWaalsContact C-N 3.31Å; K91-S93 PolarHBondContact O-N 3.13Å; S93-I95 VanDerWaalsContact C-N 3.33Å; S93-R101 PolarHBondContact O-NH2 2.95Å
94S76.8Confident86Confident59 Ų5968.3 Ų68.341%0.41334%0.344SS..G310 helixtrans-79-15.5-179.1-59.80000113.4K91 F92 S96K91-S94 WeakPolarHBondContact O-CB 3.22Å; K91-S94 PolarHBondContact O-N 3.04Å; F92-S94 VanDerWaalsContact C-N 3.25Å; F92-S94 PolarHBondContact O-N 2.94Å; S94-S96 PolarHBondContact O-N 3.47Å
95I79.3Confident85.8Confident41 Ų4163.3 Ų63.321%0.2132%0.322CS..  trans-71.7118.4177.8-57.5174.1000108.2F92 S93 D100 R101F92-I95 HydrophobicContact CD2-CD1 4.37Å; F92-I95 PolarHBondContact O-N 3.47Å; S93-I95 VanDerWaalsContact C-N 3.33Å; I95-D100 HydrophobicContact CG2-CB 3.99Å; I95-R101 HydrophobicContact CB-CG 3.92Å; I95-R101 HydrophobicContact CG2-CG 3.68Å; I95-R101 PolarHBondContact O-NE 3.33Å; I95-R101 PolarHBondContact O-NH2 2.73Å
96S75.6Confident85.8Confident93 Ų9367.8 Ų67.865%0.6534%0.344SS*.  trans-84.9-22178.152.30000113.5S94S94-S96 PolarHBondContact O-N 3.47Å
97S80.1Confident85.9Confident37 Ų3768.7 Ų68.726%0.25935%0.352SS..  trans-88.6116.3-175.2172.50000111.7K99 D100 R101S97-K99 PolarHBondContact O-N 2.98Å; S97-D100 WeakPolarHBondContact CB-OD2 3.32Å; S97-D100 PolarHBondContact O-N 3.26Å; S97-D100 VanDerWaalsContact O-N 3.13Å; S97-D100 VanDerWaalsContact OG-CG 3.32Å; S97-D100 PolarHBondContact OG-N 2.83Å; S97-D100 PolarHBondContact OG-OD2 2.81Å; S97-R101 PolarHBondContact O-N 2.88Å
98V79.3Confident86.1Confident54 Ų5463.8 Ų63.833%0.32733%0.326SS..Hα-helixtrans-52.6-41.7171.7173.20000111.2F7 D100 R101 K102F7-V98 HydrophobicContact CB-CB 4.12Å; F7-V98 HydrophobicContact CB-CG1 3.56Å; F7-V98 HydrophobicContact CB-CG2 4.38Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.13Å; V98-R101 PolarHBondContact O-N 3.46Å; V98-K102 PolarHBondContact O-N 3.39Å
99K83Confident86.3Confident162 Ų16263.4 Ų63.470%0.70432%0.324SS*.Hα-helixtrans-64.4-40.5-179.9-66.2179.2-178.3176.80111.3S97 K102 K103S97-K99 PolarHBondContact O-N 2.98Å; K99-K102 PolarHBondContact O-N 3.43Å; K99-K103 WeakPolarHBondContact O-CG 3.41Å; K99-K103 PolarHBondContact O-N 3.48Å
100D85.5Confident86.7Confident78 Ų7864.9 Ų64.942%0.41734%0.343SS..Hα-helixtrans-76.2-36.6-178.4-59.8-33000111.8I95 S97 V98 K102 K103 A104I95-D100 HydrophobicContact CG2-CB 3.99Å; S97-D100 WeakPolarHBondContact CB-OD2 3.32Å; S97-D100 PolarHBondContact O-N 3.26Å; S97-D100 VanDerWaalsContact O-N 3.13Å; S97-D100 VanDerWaalsContact OG-CG 3.32Å; S97-D100 PolarHBondContact OG-N 2.83Å; S97-D100 PolarHBondContact OG-OD2 2.81Å; V98-D100 VanDerWaalsContact C-N 3.34Å; V98-D100 PolarHBondContact O-N 3.13Å; D100-K102 PolarHBondContact O-N 3.47Å; D100-K103 PolarHBondContact O-N 3.44Å; D100-A104 WeakPolarHBondContact O-CB 3.37Å; D100-A104 PolarHBondContact O-N 3.46Å
101R87Confident87.3Confident19 Ų1962.7 Ų62.77%0.07234%0.335CS..Hα-helixtrans-57.3-47.8169.7-71.7179.2177.2176.8-3111.4F7 A9 F92 S93 I95 S97 V98 K103 A104 V105F7-R101 HydrophobicContact CB-CB 4.35Å; F7-R101 HydrophobicContact CD1-CB 3.82Å; F7-R101 HydrophobicContact CG-CB 4.36Å; F7-R101 PolarHBondContact O-NH1 3.41Å; A9-R101 PolarHBondContact O-NH1 3.14Å; A9-R101 PolarHBondContact O-NH2 2.98Å; F92-R101 HydrophobicContact CE1-CG 4.47Å; F92-R101 HydrophobicContact CE2-CB 4.34Å; F92-R101 HydrophobicContact CE2-CG 4.43Å; F92-R101 HydrophobicContact CZ-CB 3.98Å; F92-R101 HydrophobicContact CZ-CG 4.11Å; S93-R101 PolarHBondContact O-NH2 2.95Å; I95-R101 HydrophobicContact CB-CG 3.92Å; I95-R101 HydrophobicContact CG2-CG 3.68Å; I95-R101 PolarHBondContact O-NE 3.33Å; I95-R101 PolarHBondContact O-NH2 2.73Å; S97-R101 PolarHBondContact O-N 2.88Å; V98-R101 PolarHBondContact O-N 3.46Å; R101-K103 PolarHBondContact O-N 3.43Å; R101-A104 PolarHBondContact O-N 3.39Å; R101-V105 WeakPolarHBondContact O-CG2 3.28Å; R101-V105 PolarHBondContact O-N 2.99Å
102K88.4Confident87.9Confident83 Ų8357.3 Ų57.336%0.36131%0.312SS..Hα-helixtrans-61.2-45177.8-175.5177.3179.4176.30112F7 V98 K99 D100 V105 M106 Y172F7-K102 HydrophobicContact CD2-CB 4.12Å; F7-K102 HydrophobicContact CE2-CB 3.9Å; F7-K102 HydrophobicContact CE2-CD 4.37Å; F7-K102 HydrophobicContact CE2-CG 3.97Å; F7-K102 HydrophobicContact CZ-CB 4.19Å; F7-K102 HydrophobicContact CZ-CG 4.33Å; V98-K102 PolarHBondContact O-N 3.39Å; K99-K102 PolarHBondContact O-N 3.43Å; D100-K102 PolarHBondContact O-N 3.47Å; K102-V105 PolarHBondContact O-N 3.34Å; K102-M106 PolarHBondContact O-N 2.66Å; K102-Y172 HydrophobicContact CD-CE2 4.45Å; K102-Y172 WeakPolarHBondContact CE-OH 3.15Å; K102-Y172 HydrophobicContact CG-CE2 3.94Å
103K90.4Very high88.5Confident142 Ų14256.8 Ų56.862%0.61732%0.318SS*.Hα-helixtrans-62.7-43.5176.9-75.7176.2-179178.30112.1K99 D100 R101 V105 M106 L107K99-K103 WeakPolarHBondContact O-CG 3.41Å; K99-K103 PolarHBondContact O-N 3.48Å; D100-K103 PolarHBondContact O-N 3.44Å; R101-K103 PolarHBondContact O-N 3.43Å; K103-V105 VanDerWaalsContact C-N 3.34Å; K103-V105 PolarHBondContact O-N 2.94Å; K103-M106 PolarHBondContact O-N 3.38Å; K103-L107 VanDerWaalsContact O-CB 3.32Å; K103-L107 WeakPolarHBondContact O-CB 3.34Å; K103-L107 PolarHBondContact O-N 3.06Å
104A91.9Very high89.5Confident20 Ų2060.5 Ų60.517%0.16533%0.33CS..Hα-helixtrans-60.3-44.6177.700000111.5D100 R101 L107 E108D100-A104 WeakPolarHBondContact O-CB 3.37Å; D100-A104 PolarHBondContact O-N 3.46Å; R101-A104 PolarHBondContact O-N 3.39Å; A104-L107 PolarHBondContact O-N 2.88Å; A104-E108 PolarHBondContact O-N 3.4Å
105V92.7Very high90.6Very high0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-67.5-40.9177.2179.20000111.8F7 F92 R101 K102 K103 L107 E108 I109 A168 K171 Y172F7-V105 HydrophobicContact CE1-CG2 4.27Å; F92-V105 HydrophobicContact CE2-CG2 3.76Å; F92-V105 HydrophobicContact CZ-CG2 3.78Å; R101-V105 WeakPolarHBondContact O-CG2 3.28Å; R101-V105 PolarHBondContact O-N 2.99Å; K102-V105 PolarHBondContact O-N 3.34Å; K103-V105 VanDerWaalsContact C-N 3.34Å; K103-V105 PolarHBondContact O-N 2.94Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 2.84Å; V105-E108 WeakPolarHBondContact O-CB 3.42Å; V105-E108 PolarHBondContact O-N 2.96Å; V105-I109 HydrophobicContact CG1-CD1 4.17Å; V105-I109 WeakPolarHBondContact O-CG1 3.36Å; V105-I109 PolarHBondContact O-N 2.88Å; V105-A168 WeakPolarHBondContact CG1-O 3.22Å; V105-K171 HydrophobicContact CG1-CG 4.5Å; V105-K171 HydrophobicContact CG2-CD 4.02Å; V105-K171 HydrophobicContact CG2-CG 4.18Å; V105-Y172 HydrophobicContact CG1-CD2 4.29Å
106M93.4Very high91.5Very high97 Ų9757.1 Ų57.148%0.47831%0.307SS..Hα-helixtrans-61.7-42.3174.2-83.9-137.7-162.200112.5K102 K103 E108 I109 G110 Y172K102-M106 PolarHBondContact O-N 2.66Å; K103-M106 PolarHBondContact O-N 3.38Å; M106-E108 VanDerWaalsContact C-N 3.28Å; M106-E108 PolarHBondContact O-N 2.75Å; M106-I109 PolarHBondContact O-N 3.14Å; M106-G110 PolarHBondContact O-N 3.34Å; M106-Y172 HydrophobicContact CE-CE2 3.88Å; M106-Y172 WeakPolarHBondContact CE-OH 3.35Å; M106-Y172 HydrophobicContact CG-CD2 4.28Å; M106-Y172 HydrophobicContact CG-CE2 3.87Å
107L95.8Very high92.6Very high94 Ų9458.3 Ų58.349%0.49230%0.301SS..Hα-helixtrans-61.9-40.5176.3-176.6148.3000110.4F84 F85 K103 A104 V105 F111F84-L107 HydrophobicContact CE1-CD2 4.21Å; F85-L107 HydrophobicContact CE1-CD2 3.34Å; F85-L107 HydrophobicContact CZ-CD2 3.35Å; K103-L107 VanDerWaalsContact O-CB 3.32Å; K103-L107 WeakPolarHBondContact O-CB 3.34Å; K103-L107 PolarHBondContact O-N 3.06Å; A104-L107 PolarHBondContact O-N 2.88Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 2.84Å; L107-F111 VanDerWaalsContact O-CB 3.25Å; L107-F111 WeakPolarHBondContact O-CB 3.47Å; L107-F111 PolarHBondContact O-N 2.87Å
108E95.4Very high93.5Very high5 Ų557.6 Ų57.62%0.02329%0.294CS..Hα-helixtrans-61.7-49.6174.5-173.8176.7179.600112.1Q26 R30 F85 A104 V105 M106 G110 F111 S112 A168Q26-E108 PolarHBondContact NE2-OE1 3.34Å; Q26-E108 PolarHBondContact NE2-OE2 3.45Å; R30-E108 IonicContact CZ-OE1 3.31Å; R30-E108 IonicContact NH1-OE1 2.64Å; R30-E108 PolarHBondContact NH1-OE1 3.48Å; R30-E108 IonicContact NH2-OE1 3.57Å; R30-E108 PolarHBondContact NH2-OE1 2.86Å; R30-E108 IonicContact NH2-OE2 3.23Å; F85-E108 HydrophobicContact CD1-CB 4.11Å; F85-E108 HydrophobicContact CD1-CG 4.09Å; F85-E108 VanDerWaalsContact CE1-CA 3.5Å; F85-E108 HydrophobicContact CE1-CB 3.71Å; F85-E108 HydrophobicContact CE1-CG 4.06Å; F85-E108 HydrophobicContact CZ-CB 4.45Å; A104-E108 PolarHBondContact O-N 3.4Å; V105-E108 WeakPolarHBondContact O-CB 3.42Å; V105-E108 PolarHBondContact O-N 2.96Å; M106-E108 VanDerWaalsContact C-N 3.28Å; M106-E108 PolarHBondContact O-N 2.75Å; E108-G110 PolarHBondContact O-N 3.49Å; E108-F111 PolarHBondContact O-N 3.33Å; E108-S112 VanDerWaalsContact O-CB 3.26Å; E108-S112 WeakPolarHBondContact O-CB 3.34Å; E108-S112 PolarHBondContact O-N 3.49Å; E108-S112 PolarHBondContact O-OG 2.93Å; E108-A168 HydrophobicContact CB-CB 4.33Å; E108-A168 HydrophobicContact CG-CB 3.86Å
109I96.6Very high94.4Very high40 Ų4055 Ų5521%0.20528%0.279CS..Hα-helixtrans-57.2-49.7177.8-67.1166.4000110.9V105 M106 S112 G113 T165 A168 V169 Y172V105-I109 HydrophobicContact CG1-CD1 4.17Å; V105-I109 WeakPolarHBondContact O-CG1 3.36Å; V105-I109 PolarHBondContact O-N 2.88Å; M106-I109 PolarHBondContact O-N 3.14Å; I109-S112 PolarHBondContact O-OG 3.47Å; I109-G113 PolarHBondContact O-N 2.91Å; I109-T165 HydrophobicContact CG2-CG2 4.5Å; I109-A168 HydrophobicContact CG1-CB 3.55Å; I109-V169 HydrophobicContact CD1-CG2 3.97Å; I109-V169 HydrophobicContact CG1-CG2 3.98Å; I109-V169 HydrophobicContact CG2-CG2 3.91Å; I109-Y172 HydrophobicContact CD1-CD2 4.47Å; I109-Y172 HydrophobicContact CD1-CG 4.09Å
110G97.3Very high95.1Very high46 Ų4652.3 Ų52.347%0.47427%0.267SS..Hα-helixtrans-63.2-48.1-177.500000111.6M106 E108 F114M106-G110 PolarHBondContact O-N 3.34Å; E108-G110 PolarHBondContact O-N 3.49Å; G110-F114 VanDerWaalsContact O-CB 3.28Å; G110-F114 WeakPolarHBondContact O-CB 3.26Å; G110-F114 PolarHBondContact O-N 3.27Å; G110-F114 VanDerWaalsContact O-N 3.08Å
111F98Very high95.8Very high57 Ų5750.8 Ų50.825%0.2526%0.26CS..Hα-helixtrans-66-50.1179.6-171.1-81.2000111.3V77 A81 F85 L107 E108 G113 F114 W115 W161V77-F111 HydrophobicContact CG1-CZ 4.37Å; A81-F111 HydrophobicContact CB-CD1 4.13Å; A81-F111 HydrophobicContact CB-CE1 3.22Å; A81-F111 HydrophobicContact CB-CE2 4.2Å; A81-F111 HydrophobicContact CB-CZ 3.26Å; F85-F111 HydrophobicContact CD2-CD1 4.47Å; F85-F111 HydrophobicContact CE2-CB 3.91Å; F85-F111 AromaticContact CE2-CD1 3.52Å; F85-F111 HydrophobicContact CE2-CD1 3.52Å; F85-F111 HydrophobicContact CE2-CD2 4.48Å; F85-F111 HydrophobicContact CE2-CE1 4.21Å; F85-F111 AromaticContact CE2-CG 3.7Å; F85-F111 HydrophobicContact CE2-CG 3.7Å; F85-F111 HydrophobicContact CZ-CB 3.7Å; F85-F111 HydrophobicContact CZ-CD1 4.22Å; F85-F111 AromaticContact CZ-CG 3.97Å; F85-F111 HydrophobicContact CZ-CG 3.97Å; L107-F111 VanDerWaalsContact O-CB 3.25Å; L107-F111 WeakPolarHBondContact O-CB 3.47Å; L107-F111 PolarHBondContact O-N 2.87Å; E108-F111 PolarHBondContact O-N 3.33Å; F111-G113 VanDerWaalsContact C-N 3.34Å; F111-G113 PolarHBondContact O-N 3.45Å; F111-F114 PolarHBondContact O-N 2.91Å; F111-W115 HydrophobicContact CD1-CB 4.28Å; F111-W115 HydrophobicContact CE1-CB 4Å; F111-W115 AromaticContact CE1-CD2 3.86Å; F111-W115 HydrophobicContact CE1-CD2 3.86Å; F111-W115 AromaticContact CE1-CE3 3.91Å; F111-W115 HydrophobicContact CE1-CE3 3.91Å; F111-W115 AromaticContact CE1-CG 3.89Å; F111-W115 HydrophobicContact CE1-CG 3.89Å; F111-W115 HydrophobicContact CE2-CE3 4.15Å; F111-W115 HydrophobicContact CE2-CZ3 4.49Å; F111-W115 AromaticContact CZ-CD2 3.87Å; F111-W115 HydrophobicContact CZ-CD2 3.87Å; F111-W115 AromaticContact CZ-CE3 3.52Å; F111-W115 HydrophobicContact CZ-CE3 3.52Å; F111-W115 HydrophobicContact CZ-CG 4.38Å; F111-W115 HydrophobicContact CZ-CZ3 4.03Å; F111-W115 VanDerWaalsContact O-CB 3.26Å; F111-W115 WeakPolarHBondContact O-CB 3.47Å; F111-W115 PolarHBondContact O-N 3.37Å; F111-W161 HydrophobicContact CD1-CH2 4.23Å; F111-W161 AromaticContact CD1-CZ3 3.8Å; F111-W161 HydrophobicContact CD1-CZ3 3.8Å; F111-W161 AromaticContact CE1-CH2 3.72Å; F111-W161 HydrophobicContact CE1-CH2 3.72Å; F111-W161 AromaticContact CE1-CZ3 3.73Å; F111-W161 HydrophobicContact CE1-CZ3 3.73Å
112S97.6Very high96.3Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-66-37.2-175.469.40000112.3E108 I109 W115 T116 T165E108-S112 VanDerWaalsContact O-CB 3.26Å; E108-S112 WeakPolarHBondContact O-CB 3.34Å; E108-S112 PolarHBondContact O-N 3.49Å; E108-S112 PolarHBondContact O-OG 2.93Å; I109-S112 PolarHBondContact O-OG 3.47Å; S112-W115 PolarHBondContact O-N 2.93Å; S112-T116 PolarHBondContact O-N 3.33Å; S112-T116 PolarHBondContact O-OG1 3.14Å; S112-T165 WeakPolarHBondContact CB-OG1 3.38Å; S112-T165 PolarHBondContact O-OG1 3Å; S112-T165 VanDerWaalsContact OG-CA 3.22Å; S112-T165 WeakPolarHBondContact OG-CA 3.37Å; S112-T165 WeakPolarHBondContact OG-CB 3.42Å; S112-T165 PolarHBondContact OG-N 2.81Å; S112-T165 PolarHBondContact OG-OG1 3.28Å
113G97.9Very high96.8Very high29 Ų2948.7 Ų48.730%0.29925%0.252SS..Hα-helixtrans-65.7-47175.500000111.7I109 F111 W115 T116 F117 T165I109-G113 PolarHBondContact O-N 2.91Å; F111-G113 VanDerWaalsContact C-N 3.34Å; F111-G113 PolarHBondContact O-N 3.45Å; G113-W115 VanDerWaalsContact C-N 3.33Å; G113-W115 PolarHBondContact O-N 3.48Å; G113-T116 WeakPolarHBondContact O-CB 3.35Å; G113-T116 PolarHBondContact O-N 2.94Å; G113-F117 PolarHBondContact O-N 3.27Å; G113-T165 WeakPolarHBondContact CA-OG1 3.36Å; G113-T165 PolarHBondContact N-OG1 3.22Å; G113-T165 VanDerWaalsContact N-OG1 3.14Å
114F98.6Very high97.2Very high115 Ų11544.5 Ų44.550%0.50424%0.24SC..Hα-helixtrans-62.6-41.1175.6-178.9-113.5000112G110 F111 T116 F117 L118G110-F114 VanDerWaalsContact O-CB 3.28Å; G110-F114 WeakPolarHBondContact O-CB 3.26Å; G110-F114 PolarHBondContact O-N 3.27Å; G110-F114 VanDerWaalsContact O-N 3.08Å; F111-F114 PolarHBondContact O-N 2.91Å; F114-T116 VanDerWaalsContact C-N 3.34Å; F114-T116 PolarHBondContact O-N 3.45Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 PolarHBondContact O-N 3.47Å; F114-F117 VanDerWaalsContact O-N 3.16Å; F114-L118 HydrophobicContact CD1-CD1 4.08Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.52Å; F114-L118 HydrophobicContact CE1-CD2 4.44Å; F114-L118 HydrophobicContact CE1-CG 4.02Å; F114-L118 HydrophobicContact CE2-CD2 4.41Å; F114-L118 HydrophobicContact CZ-CD1 3.94Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å; F114-L118 HydrophobicContact CZ-CG 4.07Å; F114-L118 PolarHBondContact O-N 3.46Å
115W98.2Very high97.5Very high7 Ų746.3 Ų46.33%0.02724%0.244CC..Hα-helixtrans-68.6-33.4-179.6-147-101.8000112.8F73 V74 V77 G78 F111 S112 G113 F117 L118 Y119 W161F73-W115 HydrophobicContact CE1-CH2 4.01Å; F73-W115 HydrophobicContact CZ-CH2 4.39Å; V74-W115 HydrophobicContact CB-CZ2 4.48Å; V74-W115 HydrophobicContact CG1-CZ2 4.27Å; V74-W115 WeakPolarHBondContact O-CZ2 3.38Å; V74-W115 PolarHBondContact O-NE1 3.24Å; V77-W115 HydrophobicContact CB-CH2 3.35Å; V77-W115 HydrophobicContact CB-CZ2 3.54Å; V77-W115 HydrophobicContact CB-CZ3 4.33Å; V77-W115 HydrophobicContact CG1-CH2 3.2Å; V77-W115 HydrophobicContact CG1-CZ2 3.7Å; V77-W115 HydrophobicContact CG1-CZ3 3.69Å; V77-W115 HydrophobicContact CG2-CH2 4.34Å; G78-W115 VanDerWaalsContact N-CZ2 3.28Å; F111-W115 HydrophobicContact CD1-CB 4.28Å; F111-W115 HydrophobicContact CE1-CB 4Å; F111-W115 AromaticContact CE1-CD2 3.86Å; F111-W115 HydrophobicContact CE1-CD2 3.86Å; F111-W115 AromaticContact CE1-CE3 3.91Å; F111-W115 HydrophobicContact CE1-CE3 3.91Å; F111-W115 AromaticContact CE1-CG 3.89Å; F111-W115 HydrophobicContact CE1-CG 3.89Å; F111-W115 HydrophobicContact CE2-CE3 4.15Å; F111-W115 HydrophobicContact CE2-CZ3 4.49Å; F111-W115 AromaticContact CZ-CD2 3.87Å; F111-W115 HydrophobicContact CZ-CD2 3.87Å; F111-W115 AromaticContact CZ-CE3 3.52Å; F111-W115 HydrophobicContact CZ-CE3 3.52Å; F111-W115 HydrophobicContact CZ-CG 4.38Å; F111-W115 HydrophobicContact CZ-CZ3 4.03Å; F111-W115 VanDerWaalsContact O-CB 3.26Å; F111-W115 WeakPolarHBondContact O-CB 3.47Å; F111-W115 PolarHBondContact O-N 3.37Å; S112-W115 PolarHBondContact O-N 2.93Å; G113-W115 VanDerWaalsContact C-N 3.33Å; G113-W115 PolarHBondContact O-N 3.48Å; W115-F117 VanDerWaalsContact C-N 3.3Å; W115-F117 PolarHBondContact O-N 2.89Å; W115-L118 HydrophobicContact CD2-CD1 4.4Å; W115-L118 HydrophobicContact CE3-CD1 3.71Å; W115-L118 HydrophobicContact CH2-CD1 4.01Å; W115-L118 HydrophobicContact CZ3-CD1 3.48Å; W115-L118 VanDerWaalsContact CZ3-CD1 3.48Å; W115-L118 PolarHBondContact O-N 2.72Å; W115-Y119 AromaticContact CD1-CD2 3.45Å; W115-Y119 VanDerWaalsContact CD1-CD2 3.45Å; W115-Y119 AromaticContact CD1-CE2 3.25Å; W115-Y119 HydrophobicContact CG-CD2 4.46Å; W115-Y119 HydrophobicContact CG-CE2 4.5Å; W115-Y119 AromaticContact NE1-CD2 3.74Å; W115-Y119 AromaticContact NE1-CE2 3.18Å; W115-Y119 AromaticContact NE1-CZ 3.99Å; W115-Y119 PolarHBondContact O-N 2.96Å; W115-W161 HydrophobicContact CB-CD2 4.11Å; W115-W161 HydrophobicContact CB-CE3 3.74Å; W115-W161 HydrophobicContact CB-CH2 4.37Å; W115-W161 HydrophobicContact CB-CZ3 3.89Å; W115-W161 AromaticContact CD1-CD2 3.69Å; W115-W161 AromaticContact CD1-CE2 3.36Å; W115-W161 AromaticContact CD1-CH2 3.73Å; W115-W161 AromaticContact CD1-CZ2 3.37Å; W115-W161 AromaticContact CD1-NE1 3.87Å; W115-W161 HydrophobicContact CG-CD2 4.24Å; W115-W161 HydrophobicContact CG-CE3 4.16Å; W115-W161 HydrophobicContact CG-CH2 4.06Å; W115-W161 HydrophobicContact CG-CZ2 4.14Å; W115-W161 HydrophobicContact CG-CZ3 4.08Å; W115-W161 AromaticContact NE1-CZ2 3.89Å
116T98.6Very high97.7Very high21 Ų2146.3 Ų46.313%0.12924%0.244CC..Hα-helixtrans-56-46.7170-57.50000110.9S112 G113 F114 Y119 F120 I158 W161 A162S112-T116 PolarHBondContact O-N 3.33Å; S112-T116 PolarHBondContact O-OG1 3.14Å; G113-T116 WeakPolarHBondContact O-CB 3.35Å; G113-T116 PolarHBondContact O-N 2.94Å; F114-T116 VanDerWaalsContact C-N 3.34Å; F114-T116 PolarHBondContact O-N 3.45Å; T116-Y119 PolarHBondContact O-N 2.96Å; T116-F120 PolarHBondContact O-N 3.37Å; T116-I158 HydrophobicContact CG2-CG2 3.94Å; T116-W161 VanDerWaalsContact OG1-CB 3.28Å; T116-W161 WeakPolarHBondContact OG1-CB 3.35Å; T116-W161 PolarHBondContact OG1-O 3.27Å; T116-A162 HydrophobicContact CG2-CB 3.96Å; T116-A162 PolarHBondContact OG1-N 3.4Å
117F98.6Very high97.9Very high119 Ų11943.2 Ų43.252%0.52223%0.234SC..Hα-helixtrans-63.3-42.8177171.7-101.4000112G113 F114 W115 Y119 F120 V121G113-F117 PolarHBondContact O-N 3.27Å; F114-F117 WeakPolarHBondContact O-CB 3.41Å; F114-F117 PolarHBondContact O-N 3.47Å; F114-F117 VanDerWaalsContact O-N 3.16Å; W115-F117 VanDerWaalsContact C-N 3.3Å; W115-F117 PolarHBondContact O-N 2.89Å; F117-Y119 VanDerWaalsContact C-N 3.33Å; F117-Y119 PolarHBondContact O-N 3.44Å; F117-F120 WeakPolarHBondContact O-CB 3.5Å; F117-F120 PolarHBondContact O-N 3.29Å; F117-F120 VanDerWaalsContact O-N 3.14Å; F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CD2-CG2 4.5Å; F117-V121 HydrophobicContact CE1-CG2 3.91Å; F117-V121 HydrophobicContact CE2-CG2 4Å; F117-V121 HydrophobicContact CZ-CG2 3.68Å; F117-V121 WeakPolarHBondContact O-CG2 3.28Å; F117-V121 PolarHBondContact O-N 3.03Å
118L98.6Very high98Very high21 Ų2142.6 Ų42.611%0.1123%0.231CC..Hα-helixtrans-64.1-36.4177.4-67-172.7000113Y70 V74 F114 W115 V121 S122Y70-L118 PolarHBondContact OH-O 2.9Å; V74-L118 HydrophobicContact CG2-CB 4.32Å; F114-L118 HydrophobicContact CD1-CD1 4.08Å; F114-L118 HydrophobicContact CD1-CG 4.4Å; F114-L118 HydrophobicContact CE1-CD1 3.52Å; F114-L118 HydrophobicContact CE1-CD2 4.44Å; F114-L118 HydrophobicContact CE1-CG 4.02Å; F114-L118 HydrophobicContact CE2-CD2 4.41Å; F114-L118 HydrophobicContact CZ-CD1 3.94Å; F114-L118 HydrophobicContact CZ-CD2 4.02Å; F114-L118 HydrophobicContact CZ-CG 4.07Å; F114-L118 PolarHBondContact O-N 3.46Å; W115-L118 HydrophobicContact CD2-CD1 4.4Å; W115-L118 HydrophobicContact CE3-CD1 3.71Å; W115-L118 HydrophobicContact CH2-CD1 4.01Å; W115-L118 HydrophobicContact CZ3-CD1 3.48Å; W115-L118 VanDerWaalsContact CZ3-CD1 3.48Å; W115-L118 PolarHBondContact O-N 2.72Å; L118-V121 PolarHBondContact O-N 3.28Å; L118-S122 WeakPolarHBondContact O-CB 3.41Å; L118-S122 PolarHBondContact O-N 2.9Å
119Y98.6Very high98.1Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-66.8-36.5171.9-92.6-64.9000112.9S37 V40 V74 W115 T116 F117 S122 F123 S157 W161S37-Y119 WeakPolarHBondContact CA-OH 3.11Å; S37-Y119 WeakPolarHBondContact CB-OH 3.32Å; S37-Y119 PolarHBondContact OG-OH 3.2Å; V40-Y119 HydrophobicContact CG2-CE1 4.47Å; V74-Y119 HydrophobicContact CG1-CD1 3.68Å; V74-Y119 HydrophobicContact CG1-CD2 4.06Å; V74-Y119 HydrophobicContact CG1-CE1 3.6Å; V74-Y119 HydrophobicContact CG1-CE2 3.99Å; V74-Y119 HydrophobicContact CG1-CG 3.9Å; V74-Y119 PolarHBondContact O-OH 2.86Å; W115-Y119 AromaticContact CD1-CD2 3.45Å; W115-Y119 VanDerWaalsContact CD1-CD2 3.45Å; W115-Y119 AromaticContact CD1-CE2 3.25Å; W115-Y119 HydrophobicContact CG-CD2 4.46Å; W115-Y119 HydrophobicContact CG-CE2 4.5Å; W115-Y119 AromaticContact NE1-CD2 3.74Å; W115-Y119 AromaticContact NE1-CE2 3.18Å; W115-Y119 AromaticContact NE1-CZ 3.99Å; W115-Y119 PolarHBondContact O-N 2.96Å; T116-Y119 PolarHBondContact O-N 2.96Å; F117-Y119 VanDerWaalsContact C-N 3.33Å; F117-Y119 PolarHBondContact O-N 3.44Å; Y119-S122 WeakPolarHBondContact O-CB 3.38Å; Y119-S122 PolarHBondContact O-N 2.83Å; Y119-F123 WeakPolarHBondContact O-CB 3.2Å; Y119-F123 PolarHBondContact O-N 3.24Å; Y119-S157 VanDerWaalsContact CE1-CB 3.47Å; Y119-S157 WeakPolarHBondContact CE1-OG 3.38Å; Y119-S157 VanDerWaalsContact CG-CB 3.46Å; Y119-W161 AromaticContact CD2-CD1 3.58Å; Y119-W161 HydrophobicContact CD2-CG 4.21Å; Y119-W161 AromaticContact CD2-NE1 3.7Å; Y119-W161 AromaticContact CE2-CD1 3.58Å; Y119-W161 AromaticContact CE2-CE2 3.89Å; Y119-W161 HydrophobicContact CE2-CG 4.42Å; Y119-W161 HydrophobicContact CE2-CZ2 4.49Å; Y119-W161 AromaticContact CE2-NE1 3.19Å
120F98.7Very high98.1Very high105 Ų10543.8 Ų43.846%0.46123%0.233SC..Hα-helixtrans-61-47.8172.2173.7-100000111.1T116 F117 S122 F123 C124 I158T116-F120 PolarHBondContact O-N 3.37Å; F117-F120 WeakPolarHBondContact O-CB 3.5Å; F117-F120 PolarHBondContact O-N 3.29Å; F117-F120 VanDerWaalsContact O-N 3.14Å; F120-S122 VanDerWaalsContact C-N 3.3Å; F120-S122 PolarHBondContact O-N 3.4Å; F120-F123 PolarHBondContact O-N 3.41Å; F120-C124 PolarHBondContact O-N 3.44Å; F120-C124 PolarHBondContact O-SG 3.47Å; F120-C124 VanDerWaalsContact O-SG 3.38Å; F120-I158 HydrophobicContact CB-CD1 4.09Å; F120-I158 HydrophobicContact CB-CG1 4.28Å; F120-I158 HydrophobicContact CD2-CD1 4.15Å
121V98.6Very high98Very high46 Ų4645.9 Ų45.928%0.27924%0.241SC..Hα-helixtrans-61.4-39.4174.3175.40000111.2Y70 F117 L118 C124 F125Y70-V121 HydrophobicContact CE1-CG1 4.27Å; Y70-V121 HydrophobicContact CE2-CG1 4.36Å; Y70-V121 WeakPolarHBondContact OH-CB 3.43Å; Y70-V121 WeakPolarHBondContact OH-CG1 3.15Å; F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CD2-CG2 4.5Å; F117-V121 HydrophobicContact CE1-CG2 3.91Å; F117-V121 HydrophobicContact CE2-CG2 4Å; F117-V121 HydrophobicContact CZ-CG2 3.68Å; F117-V121 WeakPolarHBondContact O-CG2 3.28Å; F117-V121 PolarHBondContact O-N 3.03Å; L118-V121 PolarHBondContact O-N 3.28Å; V121-C124 PolarHBondContact O-N 3.47Å; V121-F125 WeakPolarHBondContact O-CB 3.49Å; V121-F125 PolarHBondContact O-N 2.89Å
122S98.3Very high97.8Very high0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-57.2-53.5175.1-167.80000111.4L118 Y119 F120 C124 F125 L126 S154L118-S122 WeakPolarHBondContact O-CB 3.41Å; L118-S122 PolarHBondContact O-N 2.9Å; Y119-S122 WeakPolarHBondContact O-CB 3.38Å; Y119-S122 PolarHBondContact O-N 2.83Å; F120-S122 VanDerWaalsContact C-N 3.3Å; F120-S122 PolarHBondContact O-N 3.4Å; S122-C124 PolarHBondContact O-N 3.37Å; S122-F125 PolarHBondContact O-N 2.95Å; S122-L126 WeakPolarHBondContact O-CB 3.45Å; S122-L126 VanDerWaalsContact O-CD1 3.29Å; S122-L126 WeakPolarHBondContact O-CD1 3.31Å; S122-L126 PolarHBondContact O-N 3.42Å; S122-S154 PolarHBondContact OG-OG 3.38Å
123F98.6Very high97.5Very high59 Ų5951.3 Ų51.326%0.25926%0.262SS..Hα-helixtrans-56.4-52.3178.9167.8-108.2000111.3Y119 F120 F125 A127 I151 F155 I158Y119-F123 WeakPolarHBondContact O-CB 3.2Å; Y119-F123 PolarHBondContact O-N 3.24Å; F120-F123 PolarHBondContact O-N 3.41Å; F123-F125 PolarHBondContact O-N 3.01Å; F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 3.33Å; F123-I151 HydrophobicContact CD2-CG2 3.81Å; F123-I151 HydrophobicContact CE2-CG2 3.75Å; F123-F155 HydrophobicContact CD1-CD2 4.38Å; F123-F155 HydrophobicContact CD2-CB 3.66Å; F123-F155 HydrophobicContact CD2-CD2 4.48Å; F123-F155 HydrophobicContact CD2-CG 4.5Å; F123-F155 HydrophobicContact CE1-CD2 4.22Å; F123-F155 HydrophobicContact CE2-CB 3.9Å; F123-F155 HydrophobicContact CE2-CD2 4.32Å; F123-F155 HydrophobicContact CE2-CG 4.4Å; F123-F155 HydrophobicContact CG-CB 4.15Å; F123-F155 HydrophobicContact CG-CD2 4.49Å; F123-F155 HydrophobicContact CZ-CD2 4.19Å; F123-I158 HydrophobicContact CB-CD1 4.17Å
124C98.5Very high96.9Very high53 Ų5356.5 Ų56.536%0.35828%0.277SS..Hα-helixtrans-61.2-44.6-179.6-68.10000112.1F120 V121 S122 N128F120-C124 PolarHBondContact O-N 3.44Å; F120-C124 PolarHBondContact O-SG 3.47Å; F120-C124 VanDerWaalsContact O-SG 3.38Å; V121-C124 PolarHBondContact O-N 3.47Å; S122-C124 PolarHBondContact O-N 3.37Å; C124-N128 WeakPolarHBondContact O-CB 3.3Å; C124-N128 PolarHBondContact O-N 3.06Å
125F98.3Very high96Very high59 Ų5956.6 Ų56.626%0.25929%0.286SS..Hα-helixtrans-69.4-49-176.5-176.4-143000111.9A67 Y70 V121 S122 F123 A127 N128 Q129A67-F125 VanDerWaalsContact CA-CE1 3.45Å; A67-F125 HydrophobicContact CB-CD1 4.46Å; A67-F125 HydrophobicContact CB-CE1 3.92Å; A67-F125 HydrophobicContact CB-CZ 4.04Å; Y70-F125 HydrophobicContact CD1-CD1 4.25Å; Y70-F125 HydrophobicContact CG-CD1 4.18Å; V121-F125 WeakPolarHBondContact O-CB 3.49Å; V121-F125 PolarHBondContact O-N 2.89Å; S122-F125 PolarHBondContact O-N 2.95Å; F123-F125 PolarHBondContact O-N 3.01Å; F125-A127 PolarHBondContact O-N 3.44Å; F125-N128 PolarHBondContact O-N 3.16Å; F125-Q129 HydrophobicContact CD2-CG 3.91Å; F125-Q129 HydrophobicContact CE2-CG 3.66Å; F125-Q129 HydrophobicContact CZ-CG 4.3Å; F125-Q129 VanDerWaalsContact O-CG 3.3Å; F125-Q129 WeakPolarHBondContact O-CG 3.16Å; F125-Q129 PolarHBondContact O-N 3.45Å
126L98Very high94.9Very high0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-63.7-42.6178.2-85.762.6000110.9I44 F61 Y70 S122 N128 Q129 W130 A150 I151I44-L126 HydrophobicContact CD1-CD2 4.18Å; F61-L126 HydrophobicContact CD1-CB 4.3Å; F61-L126 HydrophobicContact CD1-CG 4.4Å; F61-L126 WeakPolarHBondContact CD1-O 3.35Å; F61-L126 HydrophobicContact CD2-CG 4.25Å; F61-L126 HydrophobicContact CE1-CB 3.92Å; F61-L126 HydrophobicContact CE1-CD2 4.34Å; F61-L126 HydrophobicContact CE1-CG 4.06Å; F61-L126 HydrophobicContact CE2-CD2 3.83Å; F61-L126 HydrophobicContact CE2-CG 3.9Å; F61-L126 HydrophobicContact CG-CG 4.5Å; F61-L126 HydrophobicContact CZ-CB 4.1Å; F61-L126 HydrophobicContact CZ-CD2 3.67Å; F61-L126 HydrophobicContact CZ-CG 3.8Å; Y70-L126 HydrophobicContact CD1-CD1 4.42Å; S122-L126 WeakPolarHBondContact O-CB 3.45Å; S122-L126 VanDerWaalsContact O-CD1 3.29Å; S122-L126 WeakPolarHBondContact O-CD1 3.31Å; S122-L126 PolarHBondContact O-N 3.42Å; L126-N128 PolarHBondContact O-N 3.37Å; L126-Q129 PolarHBondContact O-N 3.16Å; L126-W130 WeakPolarHBondContact O-CB 3.38Å; L126-W130 PolarHBondContact O-N 3.44Å; L126-A150 HydrophobicContact CD2-CB 4.11Å; L126-I151 HydrophobicContact CB-CG1 3.87Å
127A97.9Very high93.9Very high31 Ų3163 Ų6326%0.25632%0.32SS..Hα-helixtrans-63.6-41.7177.500000112.3F123 F125 W130 S131 I151F123-A127 WeakPolarHBondContact O-CB 3.41Å; F123-A127 PolarHBondContact O-N 3.33Å; F125-A127 PolarHBondContact O-N 3.44Å; A127-W130 PolarHBondContact O-N 2.94Å; A127-S131 PolarHBondContact O-N 3.18Å; A127-I151 HydrophobicContact CB-CG2 4.22Å
128N97.9Very high93Very high82 Ų8258 Ų5844%0.43930%0.299SS..Hα-helixtrans-65.6-39.3176.5178.172.3000112.4C124 F125 L126 S131 R132C124-N128 WeakPolarHBondContact O-CB 3.3Å; C124-N128 PolarHBondContact O-N 3.06Å; F125-N128 PolarHBondContact O-N 3.16Å; L126-N128 PolarHBondContact O-N 3.37Å; N128-S131 PolarHBondContact O-OG 2.92Å; N128-R132 WeakPolarHBondContact O-CG 3.11Å
129Q96.8Very high91.7Very high10 Ų1059.1 Ų59.15%0.04731%0.308CS..Hα-helixtrans-71.4-38.7176.1-67.2-64110.600111F61 N62 N64 A67 F125 L126 S131 R132 T133F61-Q129 HydrophobicContact CB-CB 3.79Å; N62-Q129 HydrophobicContact CB-CB 4.39Å; N62-Q129 VanDerWaalsContact CB-O 3.28Å; N62-Q129 WeakPolarHBondContact CB-O 3.37Å; N62-Q129 PolarHBondContact ND2-NE2 3.1Å; N64-Q129 VanDerWaalsContact CB-NE2 3.27Å; N64-Q129 PolarHBondContact ND2-NE2 2.67Å; A67-Q129 HydrophobicContact CB-CB 4.36Å; A67-Q129 HydrophobicContact CB-CG 4.04Å; F125-Q129 HydrophobicContact CD2-CG 3.91Å; F125-Q129 HydrophobicContact CE2-CG 3.66Å; F125-Q129 HydrophobicContact CZ-CG 4.3Å; F125-Q129 VanDerWaalsContact O-CG 3.3Å; F125-Q129 WeakPolarHBondContact O-CG 3.16Å; F125-Q129 PolarHBondContact O-N 3.45Å; L126-Q129 PolarHBondContact O-N 3.16Å; Q129-S131 PolarHBondContact O-N 3.47Å; Q129-R132 PolarHBondContact O-N 3.43Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 3.36Å
130W95.9Very high90.6Very high59 Ų5967.4 Ų67.422%0.22335%0.351CS..Hα-helixtrans-61.4-44.2175.4-178.4-114000112.6V60 F61 L126 A127 R132 T133 L138 A144 A147 R148 I151V60-W130 HydrophobicContact CG2-CZ3 3.98Å; F61-W130 HydrophobicContact CD1-CB 4.01Å; F61-W130 HydrophobicContact CD1-CE3 4.44Å; F61-W130 HydrophobicContact CE1-CB 4.17Å; L126-W130 WeakPolarHBondContact O-CB 3.38Å; L126-W130 PolarHBondContact O-N 3.44Å; A127-W130 PolarHBondContact O-N 2.94Å; W130-R132 PolarHBondContact O-N 3.45Å; W130-R132 VanDerWaalsContact O-N 3.15Å; W130-T133 VanDerWaalsContact O-CB 3.28Å; W130-T133 WeakPolarHBondContact O-CB 3.36Å; W130-T133 PolarHBondContact O-N 3.09Å; W130-T133 PolarHBondContact O-OG1 2.65Å; W130-L138 HydrophobicContact CH2-CD2 3.72Å; W130-L138 HydrophobicContact CZ3-CD1 4.38Å; W130-L138 HydrophobicContact CZ3-CD2 3.92Å; W130-A144 HydrophobicContact CH2-CB 3.84Å; W130-A144 HydrophobicContact CZ2-CB 4.39Å; W130-A147 HydrophobicContact CD2-CB 4.22Å; W130-A147 HydrophobicContact CE3-CB 3.65Å; W130-A147 HydrophobicContact CH2-CB 4.1Å; W130-A147 HydrophobicContact CZ3-CB 3.59Å; W130-R148 HydrophobicContact CZ2-CG 4.31Å; W130-I151 HydrophobicContact CB-CD1 3.56Å; W130-I151 HydrophobicContact CD2-CD1 4.45Å; W130-I151 HydrophobicContact CG-CD1 3.64Å
131S95.2Very high89.6Confident91 Ų9167.7 Ų67.764%0.63636%0.357SS*.Hα-helixtrans-62.6-23.9178.971.80000113.8A127 N128 Q129A127-S131 PolarHBondContact O-N 3.18Å; N128-S131 PolarHBondContact O-OG 2.92Å; Q129-S131 PolarHBondContact O-N 3.47Å
132R93.9Very high88.8Confident146 Ų14670.8 Ų70.855%0.55137%0.369SS*.THydrogen-bonded Turntrans-92.3-3.8177.7-64.5173.667.1-171.24.9113.4N62 N128 Q129 W130N62-R132 HydrophobicContact CB-CB 4.43Å; N128-R132 WeakPolarHBondContact O-CG 3.11Å; Q129-R132 PolarHBondContact O-N 3.43Å; W130-R132 PolarHBondContact O-N 3.45Å; W130-R132 VanDerWaalsContact O-N 3.15Å
133T91.1Very high88.1Confident24 Ų2471 Ų7115%0.14737%0.371CS..  trans-77129.7-177.6-53.80000109.9V60 N62 Q129 W130 D137 L138V60-T133 WeakPolarHBondContact O-CG2 3.1Å; N62-T133 PolarHBondContact N-OG1 2.98Å; Q129-T133 PolarHBondContact O-N 3.12Å; Q129-T133 PolarHBondContact O-OG1 3.36Å; W130-T133 VanDerWaalsContact O-CB 3.28Å; W130-T133 WeakPolarHBondContact O-CB 3.36Å; W130-T133 PolarHBondContact O-N 3.09Å; W130-T133 PolarHBondContact O-OG1 2.65Å; T133-D137 HydrophobicContact CG2-CB 4.31Å; T133-L138 HydrophobicContact CG2-CD1 3.33Å
134K86Confident87.7Confident139 Ų13968.6 Ų68.660%0.60436%0.362SS*.  trans-88.9150.8-177.1-59.7178-177.7175.60110.7N136 D137K134-N136 PolarHBondContact O-N 2.96Å; K134-D137 PolarHBondContact N-OD2 3.2Å; K134-D137 WeakPolarHBondContact O-CA 3.39Å; K134-D137 VanDerWaalsContact O-CB 3.28Å; K134-D137 WeakPolarHBondContact O-CB 3.48Å; K134-D137 PolarHBondContact O-N 3Å
135V78.9Confident87.4Confident117 Ų11771.8 Ų71.871%0.70938%0.375SS*.G310 helixtrans-58.3-36.3176.6-178.70000111.9D137 L138V135-D137 PolarHBondContact O-N 2.69Å; V135-D137 VanDerWaalsContact O-N 3.14Å; V135-L138 PolarHBondContact O-N 2.9Å
136N75.8Confident87.2Confident142 Ų14269.2 Ų69.276%0.75937%0.365SS*.G310 helixtrans-65.1-15.8176.3-60.6-13.2000113.2K134K134-N136 PolarHBondContact O-N 2.96Å
137D77.7Confident87Confident19 Ų1969.2 Ų69.210%0.10237%0.365CS..G310 helixtrans-88.5-9.2178.1-55.1-26.2000112.4L52 R63 T133 K134 V135 P139L52-D137 HydrophobicContact CD2-CB 4.26Å; R63-D137 IonicContact CZ-OD1 2.62Å; R63-D137 VanDerWaalsContact CZ-OD1 3.22Å; R63-D137 IonicContact NE-OD1 3.86Å; R63-D137 PolarHBondContact NE-OD1 2.95Å; R63-D137 IonicContact NE-OD2 2.9Å; R63-D137 IonicContact NH2-OD1 3.22Å; R63-D137 PolarHBondContact NH2-OD1 3.1Å; T133-D137 HydrophobicContact CG2-CB 4.31Å; K134-D137 PolarHBondContact N-OD2 3.2Å; K134-D137 WeakPolarHBondContact O-CA 3.39Å; K134-D137 VanDerWaalsContact O-CB 3.28Å; K134-D137 WeakPolarHBondContact O-CB 3.48Å; K134-D137 PolarHBondContact O-N 3Å; V135-D137 PolarHBondContact O-N 2.69Å; V135-D137 VanDerWaalsContact O-N 3.14Å; D137-P139 WeakPolarHBondContact O-CD 3.46Å
138L78.8Confident87Confident14 Ų1474.9 Ų74.97%0.07338%0.38CS..SBendtrans-119.678.1176.2-71.595000110.8V60 W130 T133 V135 L140 N141 A144V60-L138 HydrophobicContact CG2-CD2 4.06Å; W130-L138 HydrophobicContact CH2-CD2 3.72Å; W130-L138 HydrophobicContact CZ3-CD1 4.38Å; W130-L138 HydrophobicContact CZ3-CD2 3.92Å; T133-L138 HydrophobicContact CG2-CD1 3.33Å; V135-L138 PolarHBondContact O-N 2.9Å; L138-L140 PolarHBondContact O-N 3.3Å; L138-N141 PolarHBondContact O-N 3.24Å; L138-N141 VanDerWaalsContact O-N 3.13Å; L138-A144 HydrophobicContact CD2-CB 3.74Å
139P72.5Confident86.9Confident46 Ų4672.2 Ų72.230%0.29937%0.37SS..G310 helixtrans-55.9128.7170.624.9-32.4000109.4D137 N141 Q142D137-P139 WeakPolarHBondContact O-CD 3.46Å; P139-N141 PolarHBondContact O-N 3.27Å; P139-N141 VanDerWaalsContact O-N 3.17Å; P139-Q142 WeakPolarHBondContact O-CB 3.32Å; P139-Q142 PolarHBondContact O-N 3.22Å; P139-Q142 VanDerWaalsContact O-N 3.17Å
140L75.6Confident87Confident173 Ų17371.8 Ų71.891%0.90637%0.367SS*.G310 helixtrans58.323.1-179-73.372.7000115.2L138 Q142L138-L140 PolarHBondContact O-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.28Å; L140-Q142 VanDerWaalsContact O-N 3.15Å
141N77.1Confident87.1Confident111 Ų11169.9 Ų69.959%0.59436%0.362SS*.G310 helixtrans56.223.5-173.6-72.5-33.6000113.9L138 P139 G143 A144L138-N141 PolarHBondContact O-N 3.24Å; L138-N141 VanDerWaalsContact O-N 3.13Å; P139-N141 PolarHBondContact O-N 3.27Å; P139-N141 VanDerWaalsContact O-N 3.17Å; N141-G143 PolarHBondContact O-N 2.92Å; N141-A144 HydrophobicContact CB-CB 4.3Å; N141-A144 VanDerWaalsContact O-CB 3.29Å; N141-A144 WeakPolarHBondContact O-CB 3.49Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.15Å
142Q80.9Confident87.3Confident112 Ų11267.4 Ų67.452%0.52335%0.346SS..THydrogen-bonded Turntrans-60.6130.5179.4-168.9172.3-5.100110.5V50 P139 L140 A144V50-Q142 HydrophobicContact CG1-CB 4.3Å; V50-Q142 HydrophobicContact CG1-CG 4.25Å; V50-Q142 WeakPolarHBondContact CG1-O 3.41Å; P139-Q142 WeakPolarHBondContact O-CB 3.32Å; P139-Q142 PolarHBondContact O-N 3.22Å; P139-Q142 VanDerWaalsContact O-N 3.17Å; L140-Q142 PolarHBondContact O-N 3.28Å; L140-Q142 VanDerWaalsContact O-N 3.15Å; Q142-A144 PolarHBondContact O-N 3.23Å
143G84.6Confident87.5Confident5 Ų563.1 Ų63.15%0.05233%0.332CS..THydrogen-bonded Turntrans76.5-1.2-179.600000115.6E47 N141 D145 A146 A147E47-G143 WeakPolarHBondContact O-CA 3.03Å; N141-G143 PolarHBondContact O-N 2.92Å; G143-D145 PolarHBondContact O-N 3.3Å; G143-A146 PolarHBondContact O-N 3.11Å; G143-A147 WeakPolarHBondContact O-CB 3.35Å; G143-A147 PolarHBondContact O-N 2.86Å
144A90.7Very high87.8Confident7 Ų762 Ų626%0.05833%0.325CS..Hα-helixtrans-64.1-42.1178.900000112.4W130 L138 N141 Q142 A147 R148W130-A144 HydrophobicContact CH2-CB 3.84Å; W130-A144 HydrophobicContact CZ2-CB 4.39Å; L138-A144 HydrophobicContact CD2-CB 3.74Å; N141-A144 HydrophobicContact CB-CB 4.3Å; N141-A144 VanDerWaalsContact O-CB 3.29Å; N141-A144 WeakPolarHBondContact O-CB 3.49Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.15Å; Q142-A144 PolarHBondContact O-N 3.23Å; A144-A147 PolarHBondContact O-N 2.74Å; A144-R148 VanDerWaalsContact O-CG 3.26Å; A144-R148 WeakPolarHBondContact O-CG 3.34Å; A144-R148 PolarHBondContact O-N 2.8Å
145D92Very high88.4Confident120 Ų12059.5 Ų59.564%0.64231%0.314SS*.Hα-helixtrans-68.8-39.9178.3-69.2-25.1000111.3G143 R148 A149G143-D145 PolarHBondContact O-N 3.3Å; D145-R148 PolarHBondContact O-N 2.83Å; D145-A149 WeakPolarHBondContact O-CB 3.04Å; D145-A149 PolarHBondContact O-N 2.88Å
146A93.2Very high89.3Confident5 Ų558 Ų584%0.04130%0.298CS..Hα-helixtrans-61.3-44.217300000112.4E47 G143 R148 A149 A150E47-A146 HydrophobicContact CB-CB 3.48Å; E47-A146 VanDerWaalsContact CB-CB 3.48Å; G143-A146 PolarHBondContact O-N 3.11Å; A146-R148 PolarHBondContact O-N 3.33Å; A146-A149 PolarHBondContact O-N 2.9Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.19Å
147A95.2Very high90.4Very high1 Ų151.2 Ų51.21%0.00826%0.262CS..Hα-helixtrans-61.3-44.6176.300000111.7V60 F61 W130 G143 A144 A150 I151V60-A147 HydrophobicContact CG1-CB 3.82Å; V60-A147 HydrophobicContact CG2-CB 4.12Å; F61-A147 HydrophobicContact CE1-CB 3.84Å; F61-A147 HydrophobicContact CZ-CB 3.87Å; W130-A147 HydrophobicContact CD2-CB 4.22Å; W130-A147 HydrophobicContact CE3-CB 3.65Å; W130-A147 HydrophobicContact CH2-CB 4.1Å; W130-A147 HydrophobicContact CZ3-CB 3.59Å; G143-A147 WeakPolarHBondContact O-CB 3.35Å; G143-A147 PolarHBondContact O-N 2.86Å; A144-A147 PolarHBondContact O-N 2.74Å; A147-A150 PolarHBondContact O-N 3.4Å; A147-I151 VanDerWaalsContact O-CG1 3.31Å; A147-I151 WeakPolarHBondContact O-CG1 3.18Å; A147-I151 PolarHBondContact O-N 3.47Å
148R96.2Very high91.4Very high149 Ų14951.7 Ų51.756%0.56226%0.264SS*.Hα-helixtrans-64.3-42.1176.6-72.2170.4178.4-170.4-0.7111.9W130 A144 D145 A146 I151 A152W130-R148 HydrophobicContact CZ2-CG 4.31Å; A144-R148 VanDerWaalsContact O-CG 3.26Å; A144-R148 WeakPolarHBondContact O-CG 3.34Å; A144-R148 PolarHBondContact O-N 2.8Å; D145-R148 PolarHBondContact O-N 2.83Å; A146-R148 PolarHBondContact O-N 3.33Å; R148-I151 PolarHBondContact O-N 3.32Å; R148-A152 WeakPolarHBondContact O-CB 3.29Å; R148-A152 PolarHBondContact O-N 3.44Å
149A97.4Very high92.3Very high27 Ų2756 Ų5622%0.22329%0.286CS..Hα-helixtrans-60.5-50.3174.600000110.7V39 D145 A146 I151 A152 F153V39-A149 HydrophobicContact CG1-CB 4.43Å; D145-A149 WeakPolarHBondContact O-CB 3.04Å; D145-A149 PolarHBondContact O-N 2.88Å; A146-A149 PolarHBondContact O-N 2.9Å; A149-I151 VanDerWaalsContact C-N 3.29Å; A149-I151 PolarHBondContact O-N 3.44Å; A149-A152 PolarHBondContact O-N 2.02Å; A149-F153 HydrophobicContact CB-CD2 4.36Å; A149-F153 WeakPolarHBondContact O-CB 3.42Å; A149-F153 VanDerWaalsContact O-CD2 3.27Å; A149-F153 WeakPolarHBondContact O-CD2 3.33Å; A149-F153 PolarHBondContact O-N 3.43Å
150A97.9Very high93.5Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-56.2-41.3177.900000112.7I44 F61 L126 A146 A147 S154I44-A150 HydrophobicContact CD1-CB 4Å; I44-A150 HydrophobicContact CG1-CB 3.78Å; F61-A150 HydrophobicContact CZ-CB 4.17Å; L126-A150 HydrophobicContact CD2-CB 4.11Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.19Å; A147-A150 PolarHBondContact O-N 3.4Å; A150-S154 VanDerWaalsContact O-CB 3.23Å; A150-S154 WeakPolarHBondContact O-CB 3.23Å; A150-S154 PolarHBondContact O-N 3.17Å; A150-S154 PolarHBondContact O-OG 3Å
151I98.3Very high94.6Very high20 Ų2046 Ų4610%0.10323%0.232CC..Hα-helixtrans-65.9-52.9175.9-67.4163000111.2F61 F123 L126 A127 W130 A147 R148 A149 F153 S154 F155F61-I151 HydrophobicContact CE1-CD1 3.89Å; F61-I151 HydrophobicContact CE1-CG1 4.02Å; F61-I151 HydrophobicContact CZ-CG1 4.42Å; F123-I151 HydrophobicContact CD2-CG2 3.81Å; F123-I151 HydrophobicContact CE2-CG2 3.75Å; L126-I151 HydrophobicContact CB-CG1 3.87Å; A127-I151 HydrophobicContact CB-CG2 4.22Å; W130-I151 HydrophobicContact CB-CD1 3.56Å; W130-I151 HydrophobicContact CD2-CD1 4.45Å; W130-I151 HydrophobicContact CG-CD1 3.64Å; A147-I151 VanDerWaalsContact O-CG1 3.31Å; A147-I151 WeakPolarHBondContact O-CG1 3.18Å; A147-I151 PolarHBondContact O-N 3.47Å; R148-I151 PolarHBondContact O-N 3.32Å; A149-I151 VanDerWaalsContact C-N 3.29Å; A149-I151 PolarHBondContact O-N 3.44Å; I151-F153 PolarHBondContact O-N 3.25Å; I151-S154 WeakPolarHBondContact O-CB 3.49Å; I151-S154 PolarHBondContact O-N 2.84Å; I151-F155 PolarHBondContact O-N 3.32Å
152A98.4Very high95.6Very high38 Ų3842.6 Ų42.631%0.31422%0.218SC..Hα-helixtrans-62.4-45.3-175.600000111.9R148 A149 S154 F155 F156R148-A152 WeakPolarHBondContact O-CB 3.29Å; R148-A152 PolarHBondContact O-N 3.44Å; A149-A152 PolarHBondContact O-N 2.02Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 3.42Å; A152-F155 WeakPolarHBondContact O-CB 3.37Å; A152-F155 PolarHBondContact O-N 3.14Å; A152-F155 VanDerWaalsContact O-N 3.17Å; A152-F156 HydrophobicContact CB-CE2 4.39Å; A152-F156 WeakPolarHBondContact O-CD2 3.38Å; A152-F156 WeakPolarHBondContact O-CG 3.32Å; A152-F156 PolarHBondContact O-N 2.87Å
153F98.4Very high96.4Very high56 Ų5638.1 Ų38.125%0.24620%0.203CC..Hα-helixtrans-73.7-25.2179.1-76.2-83.4000112.8F36 V39 V40 A149 I151 F156 S157F36-F153 HydrophobicContact CB-CD1 4.17Å; F36-F153 AromaticContact CD1-CD1 3.41Å; F36-F153 HydrophobicContact CD1-CD1 3.41Å; F36-F153 VanDerWaalsContact CD1-CD1 3.41Å; F36-F153 AromaticContact CD1-CE1 3.63Å; F36-F153 HydrophobicContact CD1-CE1 3.63Å; F36-F153 AromaticContact CE1-CD1 3.98Å; F36-F153 HydrophobicContact CE1-CD1 3.98Å; F36-F153 AromaticContact CE1-CE1 3.82Å; F36-F153 HydrophobicContact CE1-CE1 3.82Å; F36-F153 AromaticContact CG-CD1 3.94Å; F36-F153 HydrophobicContact CG-CD1 3.94Å; V39-F153 HydrophobicContact CB-CB 4.38Å; V39-F153 HydrophobicContact CB-CD1 4.24Å; V39-F153 HydrophobicContact CB-CD2 4.2Å; V39-F153 HydrophobicContact CB-CG 4.01Å; V39-F153 HydrophobicContact CG1-CB 4.18Å; V39-F153 HydrophobicContact CG1-CD1 4.26Å; V39-F153 HydrophobicContact CG1-CD2 3.36Å; V39-F153 HydrophobicContact CG1-CE2 3.71Å; V39-F153 HydrophobicContact CG1-CG 3.66Å; V39-F153 HydrophobicContact CG1-CZ 4.28Å; V39-F153 HydrophobicContact CG2-CD1 4.49Å; V39-F153 HydrophobicContact CG2-CE1 4.42Å; V40-F153 HydrophobicContact CG2-CB 3.73Å; A149-F153 HydrophobicContact CB-CD2 4.36Å; A149-F153 WeakPolarHBondContact O-CB 3.42Å; A149-F153 VanDerWaalsContact O-CD2 3.27Å; A149-F153 WeakPolarHBondContact O-CD2 3.33Å; A149-F153 PolarHBondContact O-N 3.43Å; I151-F153 PolarHBondContact O-N 3.25Å; F153-F156 HydrophobicContact CD1-CD2 4.12Å; F153-F156 HydrophobicContact CE1-CD2 4.37Å; F153-F156 HydrophobicContact CG-CD2 4.48Å; F153-S157 VanDerWaalsContact O-CB 3.31Å; F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.41Å; F153-S157 PolarHBondContact O-OG 3.35Å
154S98.5Very high97Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-63.9-42.1166.4-66.70000111.2S122 A150 I151 A152 S157 I158S122-S154 PolarHBondContact OG-OG 3.38Å; A150-S154 VanDerWaalsContact O-CB 3.23Å; A150-S154 WeakPolarHBondContact O-CB 3.23Å; A150-S154 PolarHBondContact O-N 3.17Å; A150-S154 PolarHBondContact O-OG 3Å; I151-S154 WeakPolarHBondContact O-CB 3.49Å; I151-S154 PolarHBondContact O-N 2.84Å; A152-S154 VanDerWaalsContact C-N 3.34Å; A152-S154 PolarHBondContact O-N 3.42Å; S154-S157 WeakPolarHBondContact O-CB 3.31Å; S154-S157 PolarHBondContact O-N 2.95Å; S154-I158 PolarHBondContact O-N 3.5Å
155F98.5Very high97.3Very high87 Ų8738.8 Ų38.838%0.38221%0.205SC..Hα-helixtrans-63.4-47.8175.2175.2-101.9000112.3F123 I151 A152 S157 I158 I159F123-F155 HydrophobicContact CD1-CD2 4.38Å; F123-F155 HydrophobicContact CD2-CB 3.66Å; F123-F155 HydrophobicContact CD2-CD2 4.48Å; F123-F155 HydrophobicContact CD2-CG 4.5Å; F123-F155 HydrophobicContact CE1-CD2 4.22Å; F123-F155 HydrophobicContact CE2-CB 3.9Å; F123-F155 HydrophobicContact CE2-CD2 4.32Å; F123-F155 HydrophobicContact CE2-CG 4.4Å; F123-F155 HydrophobicContact CG-CB 4.15Å; F123-F155 HydrophobicContact CG-CD2 4.49Å; F123-F155 HydrophobicContact CZ-CD2 4.19Å; I151-F155 PolarHBondContact O-N 3.32Å; A152-F155 WeakPolarHBondContact O-CB 3.37Å; A152-F155 PolarHBondContact O-N 3.14Å; A152-F155 VanDerWaalsContact O-N 3.17Å; F155-S157 PolarHBondContact O-N 3.33Å; F155-I158 HydrophobicContact CD2-CD1 4.17Å; F155-I158 VanDerWaalsContact O-CB 3.31Å; F155-I158 WeakPolarHBondContact O-CB 3.4Å; F155-I158 PolarHBondContact O-N 2.89Å; F155-I158 VanDerWaalsContact O-N 3.1Å; F155-I159 HydrophobicContact CE1-CD1 4.19Å; F155-I159 HydrophobicContact CZ-CD1 4.48Å
156F98.3Very high97.5Very high86 Ų8637 Ų3738%0.37720%0.198SC..Hα-helixtrans-63.8-29.9177.3-58.8-32.2000112.9F36 A152 F153 I158 I159 T160F36-F156 HydrophobicContact CD2-CB 3.8Å; F36-F156 HydrophobicContact CE2-CB 3.58Å; F36-F156 HydrophobicContact CG-CB 4.49Å; F36-F156 HydrophobicContact CZ-CB 4.13Å; A152-F156 HydrophobicContact CB-CE2 4.39Å; A152-F156 WeakPolarHBondContact O-CD2 3.38Å; A152-F156 WeakPolarHBondContact O-CG 3.32Å; A152-F156 PolarHBondContact O-N 2.87Å; F153-F156 HydrophobicContact CD1-CD2 4.12Å; F153-F156 HydrophobicContact CE1-CD2 4.37Å; F153-F156 HydrophobicContact CG-CD2 4.48Å; F156-I158 VanDerWaalsContact C-N 3.3Å; F156-I158 PolarHBondContact O-N 3.41Å; F156-I159 PolarHBondContact O-N 2.96Å; F156-T160 PolarHBondContact O-N 2.79Å; F156-T160 PolarHBondContact O-OG1 2.88Å
157S98.4Very high97.6Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-62.1-36.8173.7-64.20000111.9F36 Y119 F153 S154 F155 I159 T160 W161F36-S157 VanDerWaalsContact CB-OG 3.3Å; F36-S157 WeakPolarHBondContact CB-OG 3.42Å; Y119-S157 VanDerWaalsContact CE1-CB 3.47Å; Y119-S157 WeakPolarHBondContact CE1-OG 3.38Å; Y119-S157 VanDerWaalsContact CG-CB 3.46Å; F153-S157 VanDerWaalsContact O-CB 3.31Å; F153-S157 WeakPolarHBondContact O-CB 3.48Å; F153-S157 PolarHBondContact O-N 3.41Å; F153-S157 PolarHBondContact O-OG 3.35Å; S154-S157 WeakPolarHBondContact O-CB 3.31Å; S154-S157 PolarHBondContact O-N 2.95Å; F155-S157 PolarHBondContact O-N 3.33Å; S157-I159 VanDerWaalsContact C-N 3.27Å; S157-I159 PolarHBondContact O-N 3.35Å; S157-T160 WeakPolarHBondContact CA-OG1 3.39Å; S157-T160 PolarHBondContact O-N 2.71Å; S157-T160 PolarHBondContact O-OG1 3.33Å; S157-T160 VanDerWaalsContact O-OG1 3.1Å; S157-W161 WeakPolarHBondContact O-CB 3.44Å; S157-W161 PolarHBondContact O-N 2.88Å
158I98.6Very high97.5Very high29 Ų2941.4 Ų41.415%0.14921%0.214CC..Hα-helixtrans-54.7-47.4176.2-56.3164.4000110.4T116 F120 F123 S154 F155 F156 A162T116-I158 HydrophobicContact CG2-CG2 3.94Å; F120-I158 HydrophobicContact CB-CD1 4.09Å; F120-I158 HydrophobicContact CB-CG1 4.28Å; F120-I158 HydrophobicContact CD2-CD1 4.15Å; F123-I158 HydrophobicContact CB-CD1 4.17Å; S154-I158 PolarHBondContact O-N 3.5Å; F155-I158 HydrophobicContact CD2-CD1 4.17Å; F155-I158 VanDerWaalsContact O-CB 3.31Å; F155-I158 WeakPolarHBondContact O-CB 3.4Å; F155-I158 PolarHBondContact O-N 2.89Å; F155-I158 VanDerWaalsContact O-N 3.1Å; F156-I158 VanDerWaalsContact C-N 3.3Å; F156-I158 PolarHBondContact O-N 3.41Å; I158-A162 WeakPolarHBondContact O-CB 3.27Å; I158-A162 PolarHBondContact O-N 2.87Å
159I97.9Very high97.3Very high105 Ų10536.9 Ų36.954%0.53820%0.203SC..Hα-helixtrans-65.8-44.4-176.8-56.6174.8000110.7F155 F156 S157 G163F155-I159 HydrophobicContact CE1-CD1 4.19Å; F155-I159 HydrophobicContact CZ-CD1 4.48Å; F156-I159 PolarHBondContact O-N 2.96Å; S157-I159 VanDerWaalsContact C-N 3.27Å; S157-I159 PolarHBondContact O-N 3.35Å; I159-G163 PolarHBondContact O-N 3.34Å
160T97.8Very high97.1Very high9 Ų939.6 Ų39.66%0.05521%0.211CC..Hα-helixtrans-71.9-40.9-176.6480000112.6L29 L32 S33 F36 F156 S157 G163 L164L29-T160 HydrophobicContact CD2-CG2 4.41Å; L32-T160 HydrophobicContact CB-CG2 4.04Å; S33-T160 WeakPolarHBondContact OG-CB 3.32Å; S33-T160 PolarHBondContact OG-OG1 3.47Å; F36-T160 HydrophobicContact CD2-CG2 3.92Å; F36-T160 HydrophobicContact CE2-CG2 3.48Å; F36-T160 VanDerWaalsContact CE2-CG2 3.48Å; F156-T160 PolarHBondContact O-N 2.79Å; F156-T160 PolarHBondContact O-OG1 2.88Å; S157-T160 WeakPolarHBondContact CA-OG1 3.39Å; S157-T160 PolarHBondContact O-N 2.71Å; S157-T160 PolarHBondContact O-OG1 3.33Å; S157-T160 VanDerWaalsContact O-OG1 3.1Å; T160-G163 PolarHBondContact O-N 3.43Å; T160-L164 WeakPolarHBondContact O-CG 3.4Å; T160-L164 PolarHBondContact O-N 3.48Å
161W98.3Very high96.6Very high0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-69-36.2174.4-76.291.7000112.6A81 C82 F111 W115 T116 Y119 S157 G163 L164 T165A81-W161 HydrophobicContact CB-CH2 4.17Å; C82-W161 WeakPolarHBondContact SG-CZ2 3.38Å; F111-W161 HydrophobicContact CD1-CH2 4.23Å; F111-W161 AromaticContact CD1-CZ3 3.8Å; F111-W161 HydrophobicContact CD1-CZ3 3.8Å; F111-W161 AromaticContact CE1-CH2 3.72Å; F111-W161 HydrophobicContact CE1-CH2 3.72Å; F111-W161 AromaticContact CE1-CZ3 3.73Å; F111-W161 HydrophobicContact CE1-CZ3 3.73Å; W115-W161 HydrophobicContact CB-CD2 4.11Å; W115-W161 HydrophobicContact CB-CE3 3.74Å; W115-W161 HydrophobicContact CB-CH2 4.37Å; W115-W161 HydrophobicContact CB-CZ3 3.89Å; W115-W161 AromaticContact CD1-CD2 3.69Å; W115-W161 AromaticContact CD1-CE2 3.36Å; W115-W161 AromaticContact CD1-CH2 3.73Å; W115-W161 AromaticContact CD1-CZ2 3.37Å; W115-W161 AromaticContact CD1-NE1 3.87Å; W115-W161 HydrophobicContact CG-CD2 4.24Å; W115-W161 HydrophobicContact CG-CE3 4.16Å; W115-W161 HydrophobicContact CG-CH2 4.06Å; W115-W161 HydrophobicContact CG-CZ2 4.14Å; W115-W161 HydrophobicContact CG-CZ3 4.08Å; W115-W161 AromaticContact NE1-CZ2 3.89Å; T116-W161 VanDerWaalsContact OG1-CB 3.28Å; T116-W161 WeakPolarHBondContact OG1-CB 3.35Å; T116-W161 PolarHBondContact OG1-O 3.27Å; Y119-W161 AromaticContact CD2-CD1 3.58Å; Y119-W161 HydrophobicContact CD2-CG 4.21Å; Y119-W161 AromaticContact CD2-NE1 3.7Å; Y119-W161 AromaticContact CE2-CD1 3.58Å; Y119-W161 AromaticContact CE2-CE2 3.89Å; Y119-W161 HydrophobicContact CE2-CG 4.42Å; Y119-W161 HydrophobicContact CE2-CZ2 4.49Å; Y119-W161 AromaticContact CE2-NE1 3.19Å; S157-W161 WeakPolarHBondContact O-CB 3.44Å; S157-W161 PolarHBondContact O-N 2.88Å; W161-G163 VanDerWaalsContact C-N 3.35Å; W161-L164 HydrophobicContact CD2-CD1 4.47Å; W161-L164 HydrophobicContact CE3-CD1 4.28Å; W161-L164 PolarHBondContact O-N 3.39Å; W161-T165 PolarHBondContact O-N 3.04Å; W161-T165 PolarHBondContact O-OG1 3.03Å
162A98.1Very high96.2Very high38 Ų3843 Ų4331%0.31422%0.224SC..Hα-helixtrans-62.3-44.5170.300000110.9T116 I158 L164 T165 V166T116-A162 HydrophobicContact CG2-CB 3.96Å; T116-A162 PolarHBondContact OG1-N 3.4Å; I158-A162 WeakPolarHBondContact O-CB 3.27Å; I158-A162 PolarHBondContact O-N 2.87Å; A162-L164 PolarHBondContact O-N 3.23Å; A162-T165 WeakPolarHBondContact O-CB 3.36Å; A162-T165 PolarHBondContact O-N 2.92Å; A162-T165 VanDerWaalsContact O-N 3.14Å; A162-V166 WeakPolarHBondContact O-CG2 3.37Å; A162-V166 PolarHBondContact O-N 3.26Å
163G97.4Very high95.7Very high19 Ų1946 Ų4620%0.19623%0.234CC..Hα-helixtrans-58.1-44.2174.400000112.8I159 T160 W161 T165 V166 R167I159-G163 PolarHBondContact O-N 3.34Å; T160-G163 PolarHBondContact O-N 3.43Å; W161-G163 VanDerWaalsContact C-N 3.35Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.17Å; G163-V166 PolarHBondContact O-N 3.47Å; G163-R167 WeakPolarHBondContact O-CG 3.35Å; G163-R167 PolarHBondContact O-N 3.28Å
164L96.8Very high95Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-59.7-43.3173.5-75.5173.2000111.6Q26 L29 R30 S33 T160 W161 A162 V166 R167 A168Q26-L164 HydrophobicContact CG-CD2 4.28Å; L29-L164 HydrophobicContact CB-CD2 3.81Å; L29-L164 HydrophobicContact CB-CG 4.11Å; R30-L164 HydrophobicContact CB-CD2 4.35Å; S33-L164 WeakPolarHBondContact OG-CD1 3.12Å; T160-L164 WeakPolarHBondContact O-CG 3.4Å; T160-L164 PolarHBondContact O-N 3.48Å; W161-L164 HydrophobicContact CD2-CD1 4.47Å; W161-L164 HydrophobicContact CE3-CD1 4.28Å; W161-L164 PolarHBondContact O-N 3.39Å; A162-L164 PolarHBondContact O-N 3.23Å; L164-V166 PolarHBondContact O-N 2.97Å; L164-R167 PolarHBondContact O-N 2.84Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.38Å
165T97.4Very high94Very high25 Ų2548.6 Ų48.615%0.15325%0.251CS..Hα-helixtrans-60.3-47.2176.9-51.50000111.4I109 S112 G113 W161 A162 G163 R167 A168 V169I109-T165 HydrophobicContact CG2-CG2 4.5Å; S112-T165 WeakPolarHBondContact CB-OG1 3.38Å; S112-T165 PolarHBondContact O-OG1 3Å; S112-T165 VanDerWaalsContact OG-CA 3.22Å; S112-T165 WeakPolarHBondContact OG-CA 3.37Å; S112-T165 WeakPolarHBondContact OG-CB 3.42Å; S112-T165 PolarHBondContact OG-N 2.81Å; S112-T165 PolarHBondContact OG-OG1 3.28Å; G113-T165 WeakPolarHBondContact CA-OG1 3.36Å; G113-T165 PolarHBondContact N-OG1 3.22Å; G113-T165 VanDerWaalsContact N-OG1 3.14Å; W161-T165 PolarHBondContact O-N 3.04Å; W161-T165 PolarHBondContact O-OG1 3.03Å; A162-T165 WeakPolarHBondContact O-CB 3.36Å; A162-T165 PolarHBondContact O-N 2.92Å; A162-T165 VanDerWaalsContact O-N 3.14Å; G163-T165 VanDerWaalsContact C-N 3.32Å; G163-T165 PolarHBondContact O-N 3.17Å; T165-R167 PolarHBondContact O-N 3.05Å; T165-A168 PolarHBondContact O-N 3.03Å; T165-V169 VanDerWaalsContact O-CG2 3.32Å; T165-V169 WeakPolarHBondContact O-CG2 3.22Å; T165-V169 PolarHBondContact O-N 3.5Å
166V96.8Very high92.7Very high83 Ų8346.8 Ų46.850%0.50325%0.248SC..Hα-helixtrans-60.5-44.8176.9172.50000111A162 G163 L164 V169 Q170A162-V166 WeakPolarHBondContact O-CG2 3.37Å; A162-V166 PolarHBondContact O-N 3.26Å; G163-V166 PolarHBondContact O-N 3.47Å; L164-V166 PolarHBondContact O-N 2.97Å; V166-V169 PolarHBondContact O-N 2.94Å; V166-Q170 HydrophobicContact CG1-CG 4.49Å; V166-Q170 VanDerWaalsContact O-CG 3.32Å; V166-Q170 WeakPolarHBondContact O-CG 3.39Å; V166-Q170 PolarHBondContact O-N 3.16Å
167R94.3Very high91.2Very high98 Ų9846 Ų4637%0.3725%0.247SC..Hα-helixtrans-63.3-41.2176.9-70.2-57.6-171.1177.83.2112.3Q26 L29 G163 L164 T165 Q170 K171Q26-R167 HydrophobicContact CG-CB 4.48Å; L29-R167 HydrophobicContact CD1-CG 4.02Å; G163-R167 WeakPolarHBondContact O-CG 3.35Å; G163-R167 PolarHBondContact O-N 3.28Å; L164-R167 PolarHBondContact O-N 2.84Å; T165-R167 PolarHBondContact O-N 3.05Å; R167-Q170 PolarHBondContact O-N 3.11Å; R167-K171 WeakPolarHBondContact O-CB 3.47Å; R167-K171 PolarHBondContact O-N 3.18Å
168A93.1Very high89.2Confident0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-65.4-39.717700000111.5V105 E108 I109 L164 T165 K171 Y172V105-A168 WeakPolarHBondContact CG1-O 3.22Å; E108-A168 HydrophobicContact CB-CB 4.33Å; E108-A168 HydrophobicContact CG-CB 3.86Å; I109-A168 HydrophobicContact CG1-CB 3.55Å; L164-A168 WeakPolarHBondContact O-CB 3.43Å; L164-A168 PolarHBondContact O-N 3.38Å; T165-A168 PolarHBondContact O-N 3.03Å; A168-K171 PolarHBondContact O-N 3.46Å; A168-Y172 WeakPolarHBondContact O-CB 3.31Å; A168-Y172 PolarHBondContact O-N 3.13Å
169V93.8Very high87.1Confident55 Ų5553.3 Ų53.333%0.33329%0.288SS..Hα-helixtrans-64.2-45.7172.9171.80000111.1I109 T165 V166 K171 Y172 L173I109-V169 HydrophobicContact CD1-CG2 3.97Å; I109-V169 HydrophobicContact CG1-CG2 3.98Å; I109-V169 HydrophobicContact CG2-CG2 3.91Å; T165-V169 VanDerWaalsContact O-CG2 3.32Å; T165-V169 WeakPolarHBondContact O-CG2 3.22Å; T165-V169 PolarHBondContact O-N 3.5Å; V166-V169 PolarHBondContact O-N 2.94Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.92Å; V169-Y172 WeakPolarHBondContact O-CB 3.2Å; V169-Y172 PolarHBondContact O-N 2.95Å; V169-Y172 VanDerWaalsContact O-N 3.13Å; V169-L173 HydrophobicContact CG1-CD1 3.97Å; V169-L173 HydrophobicContact CG1-CG 4.28Å; V169-L173 WeakPolarHBondContact O-CG 3.3Å; V169-L173 PolarHBondContact O-N 2.98Å
170Q91.4Very high84.7Confident83 Ų8351.9 Ų51.939%0.38828%0.281SS..Hα-helixtrans-57.4-45.8174.6-73.8174.8-10.500111.4V166 R167 Y172 L173 L174V166-Q170 HydrophobicContact CG1-CG 4.49Å; V166-Q170 VanDerWaalsContact O-CG 3.32Å; V166-Q170 WeakPolarHBondContact O-CG 3.39Å; V166-Q170 PolarHBondContact O-N 3.16Å; R167-Q170 PolarHBondContact O-N 3.11Å; Q170-Y172 VanDerWaalsContact C-N 3.3Å; Q170-Y172 PolarHBondContact O-N 3.35Å; Q170-L173 PolarHBondContact O-N 3.49Å; Q170-L174 WeakPolarHBondContact O-CB 3.43Å; Q170-L174 WeakPolarHBondContact O-CG 3.39Å; Q170-L174 PolarHBondContact O-N 3.44Å
171K88.9Confident82.4Confident42 Ų4255 Ų5518%0.18329%0.294CS..Hα-helixtrans-61-38.7175.9-175.2177.2179.5179.90111.9D89 F92 V105 R167 A168 V169 G175D89-K171 IonicContact OD1-NZ 3.91Å; F92-K171 VanDerWaalsContact CE1-CE 3.41Å; V105-K171 HydrophobicContact CG1-CG 4.5Å; V105-K171 HydrophobicContact CG2-CD 4.02Å; V105-K171 HydrophobicContact CG2-CG 4.18Å; R167-K171 WeakPolarHBondContact O-CB 3.47Å; R167-K171 PolarHBondContact O-N 3.18Å; A168-K171 PolarHBondContact O-N 3.46Å; V169-K171 VanDerWaalsContact C-N 3.31Å; V169-K171 PolarHBondContact O-N 2.92Å; K171-G175 PolarHBondContact O-N 2.98Å
172Y89.1Confident80.1Confident51 Ų5159.1 Ų59.120%0.232%0.319CS..Hα-helixtrans-65.6-48.7175.1-178.7-97000111.8F7 K102 V105 M106 I109 A168 V169 Q170 G175 T176F7-Y172 HydrophobicContact CZ-CD2 4.32Å; K102-Y172 HydrophobicContact CD-CE2 4.45Å; K102-Y172 WeakPolarHBondContact CE-OH 3.15Å; K102-Y172 HydrophobicContact CG-CE2 3.94Å; V105-Y172 HydrophobicContact CG1-CD2 4.29Å; M106-Y172 HydrophobicContact CE-CE2 3.88Å; M106-Y172 WeakPolarHBondContact CE-OH 3.35Å; M106-Y172 HydrophobicContact CG-CD2 4.28Å; M106-Y172 HydrophobicContact CG-CE2 3.87Å; I109-Y172 HydrophobicContact CD1-CD2 4.47Å; I109-Y172 HydrophobicContact CD1-CG 4.09Å; A168-Y172 WeakPolarHBondContact O-CB 3.31Å; A168-Y172 PolarHBondContact O-N 3.13Å; V169-Y172 WeakPolarHBondContact O-CB 3.2Å; V169-Y172 PolarHBondContact O-N 2.95Å; V169-Y172 VanDerWaalsContact O-N 3.13Å; Q170-Y172 VanDerWaalsContact C-N 3.3Å; Q170-Y172 PolarHBondContact O-N 3.35Å; Y172-G175 CarbonylContact O-C 3.55Å; Y172-G175 PolarHBondContact O-N 3.49Å; Y172-T176 HydrophobicContact CD1-CG2 4.38Å; Y172-T176 HydrophobicContact CE1-CG2 3.98Å; Y172-T176 HydrophobicContact CE2-CG2 4.33Å; Y172-T176 WeakPolarHBondContact O-CG2 3.11Å; Y172-T176 PolarHBondContact O-N 2.81Å; Y172-T176 PolarHBondContact O-OG1 3.21Å
173L87.8Confident77.6Confident101 Ų10161 Ų6153%0.52933%0.326SS..Hα-helixtrans-61.6-47.9-179.4-67.9173.7000111.4V169 Q170 G175 T176 D177V169-L173 HydrophobicContact CG1-CD1 3.97Å; V169-L173 HydrophobicContact CG1-CG 4.28Å; V169-L173 WeakPolarHBondContact O-CG 3.3Å; V169-L173 PolarHBondContact O-N 2.98Å; Q170-L173 PolarHBondContact O-N 3.49Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 3.38Å; L173-T176 WeakPolarHBondContact CA-OG1 3.29Å; L173-T176 CarbonylContact O-C 3.56Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 VanDerWaalsContact O-N 3.08Å; L173-T176 PolarHBondContact O-OG1 3.17Å; L173-D177 PolarHBondContact O-N 3.3Å
174L84.3Confident75.2Confident101 Ų10166.2 Ų66.253%0.52935%0.346SS..Hα-helixtrans-61.9-38.3175-70.1168.4000112.2Q170 T176 D177 L180Q170-L174 WeakPolarHBondContact O-CB 3.43Å; Q170-L174 WeakPolarHBondContact O-CG 3.39Å; Q170-L174 PolarHBondContact O-N 3.44Å; L174-T176 VanDerWaalsContact C-N 3.26Å; L174-T176 PolarHBondContact O-N 3.17Å; L174-D177 PolarHBondContact O-N 3.15Å; L174-L180 HydrophobicContact CD2-CD1 4.39Å
175G77.1Confident72.7Confident8 Ų873.4 Ų73.48%0.08238%0.379CS..Hα-helixtrans-70.3-19.8175.100000113.8G5 S6 F7 K171 Y172 L173G5-G175 CarbonylContact C-O 3.13Å; G5-G175 VanDerWaalsContact C-O 3.23Å; S6-G175 CarbonylContact C-O 3.6Å; S6-G175 VanDerWaalsContact CA-O 3.3Å; S6-G175 WeakPolarHBondContact CA-O 3.35Å; S6-G175 PolarHBondContact N-O 3.17Å; F7-G175 WeakPolarHBondContact CD2-O 3.2Å; F7-G175 VanDerWaalsContact CE2-C 3.48Å; F7-G175 VanDerWaalsContact CE2-O 3.32Å; F7-G175 WeakPolarHBondContact CE2-O 3.35Å; F7-G175 PolarHBondContact N-O 3.13Å; K171-G175 PolarHBondContact O-N 2.98Å; Y172-G175 CarbonylContact O-C 3.55Å; Y172-G175 PolarHBondContact O-N 3.49Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 3.38Å
176T72.4Confident70.2Confident49 Ų4979.9 Ų79.930%0.30141%0.41SS..Hα-helixtrans-93.7-18.5173.653.10000113.8F7 Y172 L173 L174 M178F7-T176 HydrophobicContact CE2-CG2 4.08Å; Y172-T176 HydrophobicContact CD1-CG2 4.38Å; Y172-T176 HydrophobicContact CE1-CG2 3.98Å; Y172-T176 HydrophobicContact CE2-CG2 4.33Å; Y172-T176 WeakPolarHBondContact O-CG2 3.11Å; Y172-T176 PolarHBondContact O-N 2.81Å; Y172-T176 PolarHBondContact O-OG1 3.21Å; L173-T176 WeakPolarHBondContact CA-OG1 3.29Å; L173-T176 CarbonylContact O-C 3.56Å; L173-T176 PolarHBondContact O-N 2.94Å; L173-T176 VanDerWaalsContact O-N 3.08Å; L173-T176 PolarHBondContact O-OG1 3.17Å; L174-T176 VanDerWaalsContact C-N 3.26Å; L174-T176 PolarHBondContact O-N 3.17Å; T176-M178 PolarHBondContact O-N 3.15Å
177D66.7Low67.7Low70 Ų7083 Ų8337%0.37442%0.424SS..  trans-73.7109.2-178.4-162.7-20.7000110.5S6 L173 L174 T179S6-D177 WeakPolarHBondContact CB-O 3.26Å; L173-D177 PolarHBondContact O-N 3.3Å; L174-D177 PolarHBondContact O-N 3.15Å; D177-T179 VanDerWaalsContact CG-OG1 3.3Å; D177-T179 PolarHBondContact O-N 3.02Å; D177-T179 WeakPolarHBondContact OD1-CB 3.28Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.28Å; D177-T179 PolarHBondContact OD1-N 3.22Å; D177-T179 PolarHBondContact OD1-OG1 3.41Å
178M55.3Low65.2Low103 Ų10380.8 Ų80.851%0.50743%0.431SS..THydrogen-bonded Turntrans-72.4-17.7-179.1-71.1-163.756.300113.3V4 T176 L180 F181V4-M178 VanDerWaalsContact O-CG 3.3Å; V4-M178 WeakPolarHBondContact O-CG 3.02Å; T176-M178 PolarHBondContact O-N 3.15Å; M178-L180 VanDerWaalsContact C-N 3.25Å; M178-L180 PolarHBondContact O-N 3.35Å; M178-F181 PolarHBondContact O-N 2.62Å
179T54.3Low62.7Low79 Ų7985.6 Ų85.649%0.48547%0.471SS..Hα-helixtrans-71.2-22.6-17363.90000112.9D177 F181 T182 T183D177-T179 VanDerWaalsContact CG-OG1 3.3Å; D177-T179 PolarHBondContact O-N 3.02Å; D177-T179 WeakPolarHBondContact OD1-CB 3.28Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.28Å; D177-T179 PolarHBondContact OD1-N 3.22Å; D177-T179 PolarHBondContact OD1-OG1 3.41Å; T179-F181 VanDerWaalsContact C-N 3.26Å; T179-F181 PolarHBondContact O-N 2.84Å; T179-T182 WeakPolarHBondContact CA-OG1 3.38Å; T179-T182 PolarHBondContact O-N 3.3Å; T179-T182 PolarHBondContact O-OG1 3.25Å; T179-T183 PolarHBondContact O-N 3.5Å; T179-T183 PolarHBondContact O-OG1 3.34Å
180L48.9Very low60Low75 Ų7587 Ų8739%0.39349%0.488SS..Hα-helixtrans-66-29.4-178.8-138.8156.3000112L174 M178L174-L180 HydrophobicContact CD2-CD1 4.39Å; M178-L180 VanDerWaalsContact C-N 3.25Å; M178-L180 PolarHBondContact O-N 3.35Å
181F49Very low57.4Low75 Ų7588.1 Ų88.133%0.32950%0.502SS..Hα-helixtrans-89.4-17.8174.4-74.7-60.2000114.8S6 A9 M178 T179 H185S6-F181 VanDerWaalsContact CA-CE2 3.5Å; S6-F181 VanDerWaalsContact CB-CE2 3.5Å; S6-F181 WeakPolarHBondContact OG-CD2 3.47Å; S6-F181 WeakPolarHBondContact OG-CE2 3.28Å; A9-F181 HydrophobicContact CB-CZ 3.93Å; M178-F181 PolarHBondContact O-N 2.62Å; T179-F181 VanDerWaalsContact C-N 3.26Å; T179-F181 PolarHBondContact O-N 2.84Å; F181-H185 PolarHBondContact O-ND1 3.49Å
182T49.7Very low55Low87 Ų8792.7 Ų92.753%0.53453%0.534SS..Hα-helixtrans-79.3-28174.251.90000112.2T179T179-T182 WeakPolarHBondContact CA-OG1 3.38Å; T179-T182 PolarHBondContact O-N 3.3Å; T179-T182 PolarHBondContact O-OG1 3.25Å
183T45.7Very low52.6Low76 Ų7697.3 Ų97.347%0.46656%0.558SS.*Hα-helixtrans-81.4-34.2-179.5-44.20000112.4T179 H185 M186 D187T179-T183 PolarHBondContact O-N 3.5Å; T179-T183 PolarHBondContact O-OG1 3.34Å; T183-H185 PolarHBondContact O-N 2.95Å; T183-M186 PolarHBondContact O-N 3.07Å; T183-D187 PolarHBondContact O-N 3.14Å
184E46.1Very low50.1Low130 Ų13098 Ų9861%0.60757%0.568SS**THydrogen-bonded Turntrans-67.5-16.1175-66.9-170.6177.800113.4
185H45.3Very low47.7Very low150 Ų150102.5 Ų102.569%0.69458%0.579SS**THydrogen-bonded Turntrans-88.5-3.5170.3-82.275.7000114.1F181 T183F181-H185 PolarHBondContact O-ND1 3.49Å; T183-H185 PolarHBondContact O-N 2.95Å
186M43.6Very low45.8Very low161 Ų161107.8 Ų107.879%0.79361%0.612SS**THydrogen-bonded Turntrans-110.5-16.9-179.5-70.6-67.5-17100114T183T183-M186 PolarHBondContact O-N 3.07Å
187D44.2Very low44Very low150 Ų150110.6 Ų110.680%0.80263%0.634SS**SBendtrans-108.811.6-177.6-83.9-22.5000115.4T183T183-D187 PolarHBondContact O-N 3.14Å
188G42.2Very low42.8Very low51 Ų51114.7 Ų114.753%0.52666%0.656SS.*SBendtrans-16294.517900000114
189A40.6Very low41.7Very low100 Ų100114.7 Ų114.783%0.82667%0.666SS**  trans52.7127.9161.200000117.4
190A37.3Very low41Very low85 Ų85117.5 Ų117.570%0.70269%0.685SS**  trans-45.2133.9169.600000111.2T192A190-T192 PolarHBondContact O-N 2.89Å
191P38Very low40.1Very low106 Ų106117.8 Ų117.869%0.68871%0.707SS**  trans-62.5112.1-179.423-30.2000109.1Q193P191-Q193 PolarHBondContact O-N 3.25Å
192T37.9Very low39.3Very low138 Ų138118.4 Ų118.485%0.84773%0.734SS**  trans-66.9102170.240.50000108.3A190A190-T192 PolarHBondContact O-N 2.89Å
193Q37.9Very low38.3Very low149 Ų149117.9 Ų117.970%0.69675%0.746SS**  trans-60.6132.9172.1-81.4-74.8-46.200110.5P191 Y195P191-Q193 PolarHBondContact O-N 3.25Å; Q193-Y195 VanDerWaalsContact C-N 3.28Å; Q193-Y195 PolarHBondContact O-N 3.27Å; Q193-Y195 VanDerWaalsContact O-N 3.13Å
194P34.7Very low38Very low114 Ų114120.5 Ų120.574%0.7476%0.764SS**SBendtrans-88.954.9-179.336.4-34000111.8
195Y34.4Very low37.8Very low197 Ų197119 Ų11977%0.77377%0.774SS**SBendtrans-125.1129.9168.2-92.5-82.9000110.6Q193 S197Q193-Y195 VanDerWaalsContact C-N 3.28Å; Q193-Y195 PolarHBondContact O-N 3.27Å; Q193-Y195 VanDerWaalsContact O-N 3.13Å; Y195-S197 PolarHBondContact O-N 3.15Å; Y195-S197 VanDerWaalsContact O-N 3.17Å
196P37Very low37.1Very low119 Ų119121.3 Ų121.377%0.77379%0.785SS**  trans-70.7112.117627.2-29.7000109.5N198P196-N198 PolarHBondContact O-N 3Å
197S35.9Very low36.9Very low108 Ų108119.5 Ų119.576%0.75578%0.784SS**  trans-80.8107.5169-175.90000109Y195Y195-S197 PolarHBondContact O-N 3.15Å; Y195-S197 VanDerWaalsContact O-N 3.17Å
198N40.4Very low36.3Very low156 Ų156118.6 Ų118.683%0.83478%0.784SS**  trans-87.7104.2164.6-94.68.2000108P196P196-N198 PolarHBondContact O-N 3Å
199S33.6Very low35.7Very low103 Ų103124.7 Ų124.772%0.7280%0.798SS**  trans-159126.4161.5-70.80000110.6
200P37.8Very low35.4Very low137 Ų137124.1 Ų124.189%0.8979%0.793SS**  trans-93.5139.3178.432-23.2000111.6
201G31.1Very low35.5Very low82 Ų82131.2 Ų131.285%0.84580%0.804SS**  trans124.3125.3165.600000114.2
202G31.9Very low35.5Very low88 Ų88135.6 Ų135.691%0.90782%0.815SS**  trans-87.1168.2-175.600000115.8
203G28.8Very low35.7Very low75 Ų75134.1 Ų134.177%0.77381%0.81SS**  trans154.2140.4172.100000111.8
204P39.1Very low36Very low131 Ų131131.9 Ų131.985%0.85181%0.809SS**  trans-90.4145.7-161.535.6-33.5000114.8
205A41.5Very low36.3Very low99 Ų99132 Ų13282%0.81881%0.81SS**  trans19118.6156.200000120.1
206E30.7Very low36.5Very low198 Ų198131.9 Ų131.993%0.92581%0.814SS**  trans-146.6135.5144.8-111.1178.7179.400111.1
207T39.5Very low36.5Very low124 Ų124132.8 Ų132.876%0.76182%0.817SS**  trans-77.8130.7173.846.10000110.6
208T32.3Very low36.6Very low131 Ų131135.6 Ų135.680%0.80482%0.818SS**  166.5142.9124.332.20000114
209E30.3Very low36.6Very low178 Ų178135.6 Ų135.683%0.83282%0.818SS**  trans74.1112.4147.2-69.6-170.6156.900123.2
210A33.8Very low36.8Very low88 Ų88137.1 Ų137.173%0.72782%0.818SS**  44.7125.6121.300000121.5
211Y39.2Very low36.9Very low234 Ų234137.5 Ų137.592%0.91882%0.818SS**  trans61.5100.6160.4-89-92.2000117.7
212Q36.9Very low37.3Very low199 Ų199138 Ų13893%0.9381%0.814SS**  trans-126.8112.1156-90.8-171.8-24.100111.2
213S43.5Very low37.8Very low106 Ų106139.6 Ų139.674%0.74181%0.809SS**PPolyproline II helixtrans-73.9148.5157.648.70000110.3
214P44.2Very low38.6Very low102 Ų102142.8 Ų142.866%0.66281%0.813SS**PPolyproline II helixtrans-77.3154-177.430.7-31.7000112.5
215P39.9Very low38.6Very low118 Ų118147 Ų14777%0.76681%0.814SS**PPolyproline II helixtrans-85.7128.3-177.433.6-29.5000110.6
216F38.6Very low39Very low194 Ų194150.5 Ų150.585%0.85181%0.813SS**  trans-109115.5160.3-78.3-81.5000108.5
217T37.7Very low39.6Very low137 Ų137147.2 Ų147.284%0.8481%0.807SS**  trans-107.5101.6164.2-31.40000106.6
218E39Very low39.8Very low168 Ų168145.6 Ų145.679%0.78580%0.798SS**  trans-119.5104.5166.9-133.7-177.4167.400108.3N220E218-N220 PolarHBondContact O-N 2.92Å
219N39.2Very low40.2Very low155 Ų155147.1 Ų147.183%0.82980%0.799SS**  trans-72.2107.2163.8-102.5-11.5000107.5
220N36.9Very low41Very low135 Ų135152.4 Ų152.472%0.72281%0.814SS**  trans-152.5113.4156.4-102.7-48.3000110.5E218 A222E218-N220 PolarHBondContact O-N 2.92Å; N220-A222 PolarHBondContact O-N 3.13Å; N220-A222 VanDerWaalsContact O-N 3.16Å
221T41.6Very low41.4Very low145 Ų145155.7 Ų155.789%0.8982%0.818SS**  trans-56.8107165.811.70000109.5
222A38.2Very low41.5Very low93 Ų93151.5 Ų151.577%0.76981%0.813SS**PPolyproline II helixtrans-89.6136.5172.800000111N220N220-A222 PolarHBondContact O-N 3.13Å; N220-A222 VanDerWaalsContact O-N 3.16Å
223P43Very low41.8Very low122 Ų122148.9 Ų148.979%0.79281%0.807SS**PPolyproline II helixtrans-76.2151.7177.330.5-32.3000112.4
224T46.4Very low41.7Very low141 Ų141151.4 Ų151.487%0.86581%0.811SS**PPolyproline II helixtrans-57.6129.1-179.6-24.40000112
225Y38.5Very low41.5Very low219 Ų219154.5 Ų154.586%0.85982%0.82SS**  trans-116.5113.6167.8-146.7-91000109.6
226Q49.9Very low41.6Very low173 Ų173156.9 Ų156.981%0.80882%0.823SS**PPolyproline II helixtrans-86.9145170.4-82.4-164.8-46.300110.7
227V42.2Very low41.9Very low130 Ų130154.3 Ų154.379%0.78882%0.821SS**PPolyproline II helixtrans-92.1130.9175.11790000109.7
228P44.9Very low42.2Very low90 Ų90155.6 Ų155.658%0.58482%0.82SS**PPolyproline II helixtrans-76.4140.4171.7-11.927.7000112.1Y230P228-Y230 HydrophobicContact CB-CE2 4.02Å
229I40.9Very low42.4Very low162 Ų162154.6 Ų154.683%0.83182%0.823SS**PPolyproline II helixtrans-88.3127.9173.5-34.3174.2000107.7
230Y47.6Very low42.7Very low290 Ų290154.5 Ų154.5100%1.13782%0.822SS**  trans-136.10154.2-52.9-75.1000108.2P228P228-Y230 HydrophobicContact CB-CE2 4.02Å

Retrieved 230 of 230 residues in 364.5 ms (Link to these results)

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