A0A087XWG7_POEFO Loading...

Aquaporin 10b

AlphaFold DB , UniProt , Accession A0A087XWG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 298 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
1V57.1Low76.9Confident150 Ų150136.9 Ų136.991%0.90964%0.642SS**  0-59.60-168.90000112.4R3 M4 E5V1-R3 PolarHBondContact O-N 3.02Å; V1-M4 PolarHBondContact O-N 2.66Å; V1-E5 VanDerWaalsContact CG1-OE1 3.32Å; V1-E5 WeakPolarHBondContact CG1-OE1 3.36Å; V1-E5 PolarHBondContact O-N 3.47Å
2C69.6Low77.8Confident74 Ų74140.6 Ų140.650%0.565%0.645SS.*Hα-helixtrans-67.8-21-168.3-158.40000118.1R6C2-R6 WeakPolarHBondContact O-CG 3.1Å; C2-R6 PolarHBondContact O-NE 3.4Å; C2-R6 PolarHBondContact SG-NH2 2.62Å
3R76.5Confident78.9Confident210 Ų210134.9 Ų134.979%0.79262%0.622SS**Hα-helixtrans-84.8-40.1178.4-164.9177.2-175.3-174.61.6112.5V1 R6 L7V1-R3 PolarHBondContact O-N 3.02Å; R3-R6 PolarHBondContact O-N 2.93Å; R3-L7 WeakPolarHBondContact O-CG 3.44Å; R3-L7 PolarHBondContact O-N 2.95Å; R3-L7 VanDerWaalsContact O-N 3.11Å
4M78.3Confident79.7Confident124 Ų124142.4 Ų142.461%0.61164%0.642SS**Hα-helixtrans-66.4-45.6176.9-174.561.481.600110.7V1 R6 L7 L8V1-M4 PolarHBondContact O-N 2.66Å; M4-R6 VanDerWaalsContact C-N 3.31Å; M4-R6 PolarHBondContact O-N 3.34Å; M4-L7 WeakPolarHBondContact O-CB 3.5Å; M4-L7 PolarHBondContact O-N 2.88Å; M4-L7 VanDerWaalsContact O-N 3.11Å; M4-L8 HydrophobicContact CG-CD1 3.98Å; M4-L8 HydrophobicContact CG-CG 4.29Å; M4-L8 WeakPolarHBondContact O-CG 3.42Å; M4-L8 PolarHBondContact O-N 2.96Å; M4-L8 HydrophobicContact SD-CG 4.36Å
5E80.1Confident80.8Confident95 Ų95138.7 Ų138.744%0.44463%0.63SS.*Hα-helixtrans-59.4-39.8175.8-72.7177.1173.200112.9V1 L7 L8 R9V1-E5 VanDerWaalsContact CG1-OE1 3.32Å; V1-E5 WeakPolarHBondContact CG1-OE1 3.36Å; V1-E5 PolarHBondContact O-N 3.47Å; E5-L7 VanDerWaalsContact C-N 3.35Å; E5-L8 PolarHBondContact O-N 3.1Å; E5-R9 WeakPolarHBondContact O-CB 3.45Å; E5-R9 VanDerWaalsContact O-CG 3.29Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.37Å
6R77.6Confident81.7Confident161 Ų161134.1 Ų134.161%0.60862%0.619SS**Hα-helixtrans-64.8-38.2175.6-84.5-174.7-94.8-179.1-12.4112.3C2 R3 M4 R10C2-R6 WeakPolarHBondContact O-CG 3.1Å; C2-R6 PolarHBondContact O-NE 3.4Å; C2-R6 PolarHBondContact SG-NH2 2.62Å; R3-R6 PolarHBondContact O-N 2.93Å; M4-R6 VanDerWaalsContact C-N 3.31Å; M4-R6 PolarHBondContact O-N 3.34Å; R6-R10 WeakPolarHBondContact O-CG 3.24Å; R6-R10 PolarHBondContact O-N 3.14Å
7L78.8Confident82.5Confident86 Ų86128.5 Ų128.545%0.4560%0.595SS.*Hα-helixtrans-67.8-47.5174.4-73.3164.8000111.3R3 M4 E5 R9 R10 C11R3-L7 WeakPolarHBondContact O-CG 3.44Å; R3-L7 PolarHBondContact O-N 2.95Å; R3-L7 VanDerWaalsContact O-N 3.11Å; M4-L7 WeakPolarHBondContact O-CB 3.5Å; M4-L7 PolarHBondContact O-N 2.88Å; M4-L7 VanDerWaalsContact O-N 3.11Å; E5-L7 VanDerWaalsContact C-N 3.35Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.25Å; L7-R10 WeakPolarHBondContact O-CA 3.46Å; L7-R10 WeakPolarHBondContact O-CB 3.47Å; L7-R10 PolarHBondContact O-N 3.32Å; L7-C11 PolarHBondContact O-N 3.46Å
8L83.4Confident83.3Confident107 Ų107124.5 Ų124.556%0.5658%0.581SS**Hα-helixtrans-61.5-37.7178.1-68174.3000112.4M4 E5 R10 C11 R12M4-L8 HydrophobicContact CG-CD1 3.98Å; M4-L8 HydrophobicContact CG-CG 4.29Å; M4-L8 WeakPolarHBondContact O-CG 3.42Å; M4-L8 PolarHBondContact O-N 2.96Å; M4-L8 HydrophobicContact SD-CG 4.36Å; E5-L8 PolarHBondContact O-N 3.1Å; L8-R10 VanDerWaalsContact C-N 3.25Å; L8-R10 PolarHBondContact O-N 3.5Å; L8-C11 CarbonylContact O-C 3.56Å; L8-C11 PolarHBondContact O-N 3.08Å; L8-C11 VanDerWaalsContact O-N 3.1Å; L8-R12 PolarHBondContact O-N 2.89Å; L8-R12 VanDerWaalsContact O-N 3.14Å
9R78.5Confident84.1Confident188 Ų188123.7 Ų123.771%0.70957%0.572SS**Hα-helixtrans-62.2-31.7173.3-77.9-178.8-173.1-156.83.7112.7E5 L7 R12E5-R9 WeakPolarHBondContact O-CB 3.45Å; E5-R9 VanDerWaalsContact O-CG 3.29Å; E5-R9 WeakPolarHBondContact O-CG 3.33Å; E5-R9 PolarHBondContact O-N 3.37Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.25Å; R9-R12 WeakPolarHBondContact O-CB 3.38Å; R9-R12 PolarHBondContact O-N 2.96Å
10R82.1Confident84.8Confident210 Ų210118.9 Ų118.979%0.79255%0.55SS*.Hα-helixtrans-71.6-31.1174.2-69.7175.7-179.6-175.6-1.5112R6 L7 L8 R12R6-R10 WeakPolarHBondContact O-CG 3.24Å; R6-R10 PolarHBondContact O-N 3.14Å; L7-R10 WeakPolarHBondContact O-CA 3.46Å; L7-R10 WeakPolarHBondContact O-CB 3.47Å; L7-R10 PolarHBondContact O-N 3.32Å; L8-R10 VanDerWaalsContact C-N 3.25Å; L8-R10 PolarHBondContact O-N 3.5Å; R10-R12 VanDerWaalsContact C-N 3.28Å
11C84Confident85.5Confident101 Ų101113.3 Ų113.368%0.68252%0.524SS*.THydrogen-bonded Turntrans-81.3-3.5174.3-57.50000113.6L7 L8 I13L7-C11 PolarHBondContact O-N 3.46Å; L8-C11 CarbonylContact O-C 3.56Å; L8-C11 PolarHBondContact O-N 3.08Å; L8-C11 VanDerWaalsContact O-N 3.1Å; C11-I13 PolarHBondContact O-N 3.2Å; C11-I13 VanDerWaalsContact O-N 3.14Å
12R87.4Confident87.4Confident181 Ų181110 Ų11068%0.68350%0.501SS*.  trans-68.3113.8-177.2-170.7179.774165.83.7110.7L8 R9 R10 R14L8-R12 PolarHBondContact O-N 2.89Å; L8-R12 VanDerWaalsContact O-N 3.14Å; R9-R12 WeakPolarHBondContact O-CB 3.38Å; R9-R12 PolarHBondContact O-N 2.96Å; R10-R12 VanDerWaalsContact C-N 3.28Å; R12-R14 PolarHBondContact O-N 3.02Å
13I92.2Very high88.8Confident67 Ų67107 Ų10734%0.34448%0.482SS..  trans-61.9129.9172.4-63.3167.2000109.1C11 N15 V18 R19 L22C11-I13 PolarHBondContact O-N 3.2Å; C11-I13 VanDerWaalsContact O-N 3.14Å; I13-N15 HydrophobicContact CG2-CB 4.47Å; I13-V18 HydrophobicContact CD1-CG1 4.08Å; I13-V18 HydrophobicContact CG2-CB 3.84Å; I13-V18 HydrophobicContact CG2-CG1 3.8Å; I13-R19 HydrophobicContact CB-CG 4.01Å; I13-R19 HydrophobicContact CG2-CG 4.11Å; I13-R19 VanDerWaalsContact O-CD 3.27Å; I13-R19 WeakPolarHBondContact O-CD 3.46Å; I13-L22 HydrophobicContact CD1-CD1 3.23Å
14R90.9Very high89.9Confident239 Ų23997 Ų9790%0.90244%0.444SS*.  trans-84.3-33.8-177.8-66.3-175.9180-174.6-0.6113R12 S16R12-R14 PolarHBondContact O-N 3.02Å; R14-S16 PolarHBondContact O-N 3.41Å
15N95.1Very high90.8Very high87 Ų8791.8 Ų91.847%0.46542%0.42SS..  trans-70.3121.8-179.7-175.2-58.7000110I13 L17 V18 R19I13-N15 HydrophobicContact CG2-CB 4.47Å; N15-L17 WeakPolarHBondContact OD1-CA 3.28Å; N15-L17 VanDerWaalsContact OD1-CB 3.32Å; N15-L17 WeakPolarHBondContact OD1-CB 3.46Å; N15-L17 PolarHBondContact OD1-N 2.87Å; N15-V18 HydrophobicContact CB-CB 4.22Å; N15-V18 HydrophobicContact CB-CG2 3.95Å; N15-V18 PolarHBondContact O-N 3.2Å; N15-V18 PolarHBondContact OD1-N 3.02Å; N15-V18 VanDerWaalsContact OD1-N 3.07Å; N15-R19 WeakPolarHBondContact O-CG 3.35Å; N15-R19 PolarHBondContact O-N 3.32Å
16S95.1Very high91.7Very high65 Ų6591.4 Ų91.446%0.45542%0.42SS..Hα-helixtrans-63.1-46.1-179480000112.2R14 V18 R19 E20R14-S16 PolarHBondContact O-N 3.41Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.76Å; S16-R19 WeakPolarHBondContact O-CB 3.34Å; S16-R19 PolarHBondContact O-N 3.12Å; S16-R19 VanDerWaalsContact O-N 3.08Å; S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.28Å
17L96.3Very high92.7Very high39 Ų3983.7 Ų83.720%0.20439%0.391CS..Hα-helixtrans-57.4-43.6178.7176.560.2000111.8N15 R19 E20 C21 K96 F99 Y100N15-L17 WeakPolarHBondContact OD1-CA 3.28Å; N15-L17 VanDerWaalsContact OD1-CB 3.32Å; N15-L17 WeakPolarHBondContact OD1-CB 3.46Å; N15-L17 PolarHBondContact OD1-N 2.87Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.04Å; L17-E20 PolarHBondContact O-N 2.89Å; L17-C21 WeakPolarHBondContact O-CB 3.43Å; L17-C21 PolarHBondContact O-N 3.41Å; L17-C21 PolarHBondContact O-SG 2.96Å; L17-K96 HydrophobicContact CD1-CB 4.18Å; L17-K96 HydrophobicContact CD1-CD 4.16Å; L17-K96 HydrophobicContact CD1-CG 3.87Å; L17-F99 HydrophobicContact CD1-CB 4.19Å; L17-F99 HydrophobicContact CD2-CD2 3.83Å; L17-F99 HydrophobicContact CD2-CE2 4.13Å; L17-F99 HydrophobicContact CD2-CG 4.06Å; L17-Y100 HydrophobicContact CD1-CD2 4.48Å; L17-Y100 HydrophobicContact CD1-CE2 4.34Å
18V97.2Very high93.7Very high57 Ų5779.6 Ų79.635%0.34537%0.37SS..Hα-helixtrans-64.5-39.9177.9179.20000111.1I13 N15 S16 C21 L22I13-V18 HydrophobicContact CD1-CG1 4.08Å; I13-V18 HydrophobicContact CG2-CB 3.84Å; I13-V18 HydrophobicContact CG2-CG1 3.8Å; N15-V18 HydrophobicContact CB-CB 4.22Å; N15-V18 HydrophobicContact CB-CG2 3.95Å; N15-V18 PolarHBondContact O-N 3.2Å; N15-V18 PolarHBondContact OD1-N 3.02Å; N15-V18 VanDerWaalsContact OD1-N 3.07Å; S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact O-N 2.76Å; V18-C21 PolarHBondContact O-N 3.03Å; V18-L22 HydrophobicContact CG1-CD1 4.16Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.3Å
19R97.6Very high94.4Very high109 Ų10977.2 Ų77.241%0.41135%0.354SS..Hα-helixtrans-62.4-44.6175.7-70.7172.957.8-142.6-5.6111.9I13 N15 S16 L17 L22 A23 V73I13-R19 HydrophobicContact CB-CG 4.01Å; I13-R19 HydrophobicContact CG2-CG 4.11Å; I13-R19 VanDerWaalsContact O-CD 3.27Å; I13-R19 WeakPolarHBondContact O-CD 3.46Å; N15-R19 WeakPolarHBondContact O-CG 3.35Å; N15-R19 PolarHBondContact O-N 3.32Å; S16-R19 WeakPolarHBondContact O-CB 3.34Å; S16-R19 PolarHBondContact O-N 3.12Å; S16-R19 VanDerWaalsContact O-N 3.08Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.04Å; R19-L22 PolarHBondContact O-N 3.48Å; R19-A23 WeakPolarHBondContact O-CB 3.47Å; R19-A23 PolarHBondContact O-N 3.4Å; R19-V73 HydrophobicContact CB-CG1 3.99Å
20E98.3Very high95.4Very high27 Ų2769.6 Ų69.613%0.12633%0.326CS..Hα-helixtrans-61.2-48.3176.6-69.7166.9-16600111.1S16 L17 L22 A23 E24 V73 S74 K96 Y100S16-E20 WeakPolarHBondContact O-CG 3.36Å; S16-E20 PolarHBondContact O-N 3.28Å; L17-E20 PolarHBondContact O-N 2.89Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.9Å; E20-A23 WeakPolarHBondContact O-CB 3.39Å; E20-A23 PolarHBondContact O-N 2.88Å; E20-A23 VanDerWaalsContact O-N 3.11Å; E20-E24 WeakPolarHBondContact O-CG 3.4Å; E20-E24 PolarHBondContact O-N 3.25Å; E20-V73 WeakPolarHBondContact CG-O 3.47Å; E20-S74 WeakPolarHBondContact O-CB 3.46Å; E20-K96 IonicContact OE1-NZ 3.71Å; E20-K96 PolarHBondContact OE1-NZ 3.19Å; E20-K96 WeakPolarHBondContact OE2-CD 3.48Å; E20-K96 VanDerWaalsContact OE2-CE 3.32Å; E20-K96 WeakPolarHBondContact OE2-CE 3.47Å; E20-K96 IonicContact OE2-NZ 3.11Å; E20-K96 PolarHBondContact OE2-NZ 3.15Å; E20-Y100 HydrophobicContact CB-CE2 3.79Å; E20-Y100 WeakPolarHBondContact CB-OH 3.43Å; E20-Y100 PolarHBondContact OE2-OH 3.09Å
21C98.4Very high96.2Very high3 Ų359.9 Ų59.92%0.0229%0.29CS..Hα-helixtrans-60-41.2178.3-71.20000112.6L17 V18 A23 E24 C25 F103L17-C21 WeakPolarHBondContact O-CB 3.43Å; L17-C21 PolarHBondContact O-N 3.41Å; L17-C21 PolarHBondContact O-SG 2.96Å; V18-C21 PolarHBondContact O-N 3.03Å; C21-A23 VanDerWaalsContact C-N 3.35Å; C21-E24 PolarHBondContact O-N 3.08Å; C21-C25 WeakPolarHBondContact O-CB 3.35Å; C21-C25 PolarHBondContact O-N 3.49Å; C21-F103 HydrophobicContact CB-CB 4.06Å; C21-F103 HydrophobicContact CB-CD1 4Å; C21-F103 HydrophobicContact CB-CD2 3.52Å; C21-F103 HydrophobicContact CB-CE1 4.32Å; C21-F103 HydrophobicContact CB-CE2 3.88Å; C21-F103 HydrophobicContact CB-CG 3.59Å; C21-F103 HydrophobicContact CB-CZ 4.26Å; C21-F103 WeakPolarHBondContact O-CB 3.48Å
22L98.4Very high96.9Very high80 Ų8055 Ų5542%0.41926%0.258SS..Hα-helixtrans-67.5-35.8175.5-70.7173.5000112.4I13 V18 R19 E20 C25 L26 F103I13-L22 HydrophobicContact CD1-CD1 3.23Å; V18-L22 HydrophobicContact CG1-CD1 4.16Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.3Å; R19-L22 PolarHBondContact O-N 3.48Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 2.9Å; L22-C25 PolarHBondContact O-N 3.24Å; L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 3.15Å; L22-F103 HydrophobicContact CD2-CE1 4.09Å
23A98.6Very high97.5Very high11 Ų1148.4 Ų48.49%0.09124%0.236CC..Hα-helixtrans-67-42.5174.300000111.6R19 E20 C21 L26 G27 S70 V73R19-A23 WeakPolarHBondContact O-CB 3.47Å; R19-A23 PolarHBondContact O-N 3.4Å; E20-A23 WeakPolarHBondContact O-CB 3.39Å; E20-A23 PolarHBondContact O-N 2.88Å; E20-A23 VanDerWaalsContact O-N 3.11Å; C21-A23 VanDerWaalsContact C-N 3.35Å; A23-L26 PolarHBondContact O-N 3.37Å; A23-G27 PolarHBondContact O-N 3Å; A23-S70 WeakPolarHBondContact O-CB 3.37Å; A23-V73 HydrophobicContact CB-CB 3.75Å; A23-V73 HydrophobicContact CB-CG1 3.92Å
24E98.8Very high97.8Very high0 Ų049.6 Ų49.60%024%0.238CC..Hα-helixtrans-59.7-46.5172.4-72.8-64120.900111.8E20 C21 L26 G27 V28 S74 A76 H77 L78 Y100 Q104E20-E24 WeakPolarHBondContact O-CG 3.4Å; E20-E24 PolarHBondContact O-N 3.25Å; C21-E24 PolarHBondContact O-N 3.08Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 2.94Å; E24-G27 PolarHBondContact O-N 3.36Å; E24-V28 WeakPolarHBondContact O-CG2 3.27Å; E24-V28 PolarHBondContact O-N 3.48Å; E24-S74 WeakPolarHBondContact OE1-CB 3.27Å; E24-S74 PolarHBondContact OE1-OG 3.3Å; E24-A76 WeakPolarHBondContact OE1-CA 3.44Å; E24-A76 PolarHBondContact OE1-N 3.2Å; E24-H77 PolarHBondContact OE1-N 3.25Å; E24-L78 WeakPolarHBondContact OE2-CA 3.35Å; E24-L78 PolarHBondContact OE2-N 3.39Å; E24-Y100 HydrophobicContact CG-CD1 3.49Å; E24-Y100 VanDerWaalsContact CG-CD1 3.49Å; E24-Y100 HydrophobicContact CG-CE1 3.53Å; E24-Y100 HydrophobicContact CG-CG 4.1Å; E24-Q104 HydrophobicContact CB-CG 4.1Å; E24-Q104 PolarHBondContact OE2-NE2 3.44Å
25C98.9Very high98.2Very high15 Ų1538.2 Ų38.210%0.10120%0.195CC..Hα-helixtrans-56.7-46.6175.9-178.80000111.7C21 L22 Y29 F103 G107C21-C25 WeakPolarHBondContact O-CB 3.35Å; C21-C25 PolarHBondContact O-N 3.49Å; L22-C25 PolarHBondContact O-N 3.24Å; C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 3.25Å; C25-F103 WeakPolarHBondContact CA-O 3.44Å; C25-F103 HydrophobicContact CB-CB 4.24Å; C25-F103 HydrophobicContact CB-CD1 4.01Å; C25-G107 WeakPolarHBondContact O-CA 3.41Å; C25-G107 VanDerWaalsContact SG-CA 3.52Å
26L98.8Very high98.3Very high86 Ų8634.1 Ų34.145%0.4517%0.173SC..Hα-helixtrans-67.8-41179.2-178.760.9000112.1L22 A23 E24 Y29 I30 V69L22-L26 WeakPolarHBondContact O-CB 3.44Å; L22-L26 PolarHBondContact O-N 3.15Å; A23-L26 PolarHBondContact O-N 3.37Å; E24-L26 VanDerWaalsContact C-N 3.33Å; E24-L26 PolarHBondContact O-N 2.94Å; L26-Y29 HydrophobicContact CD1-CD1 4.34Å; L26-Y29 WeakPolarHBondContact O-CB 3.23Å; L26-Y29 PolarHBondContact O-N 2.98Å; L26-I30 HydrophobicContact CD1-CG1 4.48Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.7Å; L26-V69 HydrophobicContact CD2-CB 4.49Å; L26-V69 HydrophobicContact CG-CG2 4.23Å
27G98.9Very high98.5Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-63.5-43.7178.100000112.2A23 E24 I30 L31 G66A23-G27 PolarHBondContact O-N 3Å; E24-G27 PolarHBondContact O-N 3.36Å; G27-I30 PolarHBondContact O-N 3.11Å; G27-L31 PolarHBondContact O-N 2.77Å; G27-G66 WeakPolarHBondContact O-CA 3.36Å
28V98.9Very high98.6Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-70.3-35.9176-177.30000111.5E24 I30 L31 I32 L78 Q104 A108E24-V28 WeakPolarHBondContact O-CG2 3.27Å; E24-V28 PolarHBondContact O-N 3.48Å; V28-I30 VanDerWaalsContact C-N 3.32Å; V28-I30 PolarHBondContact O-N 3.36Å; V28-L31 WeakPolarHBondContact O-CB 3.34Å; V28-L31 PolarHBondContact O-N 3.11Å; V28-I32 HydrophobicContact CG1-CG1 4.21Å; V28-I32 WeakPolarHBondContact O-CG1 3.49Å; V28-I32 PolarHBondContact O-N 3.36Å; V28-L78 HydrophobicContact CG2-CB 3.88Å; V28-L78 HydrophobicContact CG2-CD2 4.11Å; V28-L78 VanDerWaalsContact CG2-O 3.3Å; V28-L78 WeakPolarHBondContact CG2-O 3.12Å; V28-Q104 VanDerWaalsContact CG1-O 3.3Å; V28-Q104 WeakPolarHBondContact CG1-O 3.29Å; V28-Q104 HydrophobicContact CG2-CB 3.92Å; V28-Q104 HydrophobicContact CG2-CG 3.87Å; V28-A108 HydrophobicContact CG1-CB 3.61Å
29Y98.9Very high98.7Very high57 Ų5729 Ų2922%0.22414%0.144CC..Hα-helixtrans-55.4-47.9171.8172.7-91.1000111.5C25 L26 I32 L33 G107 L110 T114C25-Y29 WeakPolarHBondContact O-CB 3.41Å; C25-Y29 PolarHBondContact O-N 3.25Å; L26-Y29 HydrophobicContact CD1-CD1 4.34Å; L26-Y29 WeakPolarHBondContact O-CB 3.23Å; L26-Y29 PolarHBondContact O-N 2.98Å; Y29-I32 PolarHBondContact O-N 3.17Å; Y29-L33 HydrophobicContact CE1-CB 4.46Å; Y29-L33 HydrophobicContact CE1-CD2 3.89Å; Y29-L33 WeakPolarHBondContact O-CB 3.33Å; Y29-L33 PolarHBondContact O-N 3.07Å; Y29-G107 WeakPolarHBondContact CA-O 3.26Å; Y29-L110 HydrophobicContact CD2-CB 3.96Å; Y29-L110 HydrophobicContact CE2-CB 4.36Å; Y29-T114 WeakPolarHBondContact CE2-OG1 3.45Å; Y29-T114 WeakPolarHBondContact OH-CG2 3.49Å; Y29-T114 PolarHBondContact OH-OG1 3Å
30I98.9Very high98.8Very high27 Ų2723.9 Ų23.914%0.13812%0.124CC..Hα-helixtrans-63.7-42.1177.8-69.3-61.6000111.7L26 G27 V28 I32 L33 F34 F65 V69L26-I30 HydrophobicContact CD1-CG1 4.48Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 2.7Å; G27-I30 PolarHBondContact O-N 3.11Å; V28-I30 VanDerWaalsContact C-N 3.32Å; V28-I30 PolarHBondContact O-N 3.36Å; I30-I32 PolarHBondContact O-N 3.41Å; I30-L33 PolarHBondContact O-N 2.97Å; I30-F34 HydrophobicContact CG2-CD2 3.75Å; I30-F34 HydrophobicContact CG2-CE2 3.69Å; I30-F34 WeakPolarHBondContact O-CD2 3.41Å; I30-F34 PolarHBondContact O-N 3.38Å; I30-F65 HydrophobicContact CG2-CB 3.85Å; I30-V69 HydrophobicContact CG1-CG2 4.17Å
31L98.8Very high98.8Very high6 Ų626.4 Ų26.43%0.03114%0.136CC..Hα-helixtrans-55.1-50.9174168.757.6000111.6G27 V28 G35 F59 V63G27-L31 PolarHBondContact O-N 2.77Å; V28-L31 WeakPolarHBondContact O-CB 3.34Å; V28-L31 PolarHBondContact O-N 3.11Å; L31-G35 PolarHBondContact O-N 3Å; L31-F59 HydrophobicContact CD1-CD1 4.05Å; L31-V63 HydrophobicContact CD1-CB 4.37Å; L31-V63 HydrophobicContact CD1-CG2 3.32Å; L31-V63 HydrophobicContact CD2-CG2 4.23Å; L31-V63 HydrophobicContact CG-CG2 4.34Å
32I98.9Very high98.8Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-73.6-38.7-177.3-61.8-51.7000112.2V28 Y29 I30 F34 C36 A108 A112 R214 P218V28-I32 HydrophobicContact CG1-CG1 4.21Å; V28-I32 WeakPolarHBondContact O-CG1 3.49Å; V28-I32 PolarHBondContact O-N 3.36Å; Y29-I32 PolarHBondContact O-N 3.17Å; I30-I32 PolarHBondContact O-N 3.41Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.13Å; I32-C36 HydrophobicContact CG2-CB 4.2Å; I32-C36 VanDerWaalsContact O-CB 3.26Å; I32-C36 WeakPolarHBondContact O-CB 3.04Å; I32-C36 PolarHBondContact O-N 2.91Å; I32-A108 HydrophobicContact CD1-CB 4.47Å; I32-A108 HydrophobicContact CG1-CB 3.77Å; I32-A112 HydrophobicContact CG2-CB 4.24Å; I32-R214 HydrophobicContact CD1-CB 3.91Å; I32-R214 HydrophobicContact CD1-CG 3.57Å; I32-P218 HydrophobicContact CD1-CG 4.36Å; I32-P218 HydrophobicContact CG2-CG 4.16Å
33L98.9Very high98.8Very high42 Ų4224.4 Ų24.422%0.2213%0.127CC..Hα-helixtrans-54.7-50.6177.3178.565.2000111Y29 I30 G37 T114 V115Y29-L33 HydrophobicContact CE1-CB 4.46Å; Y29-L33 HydrophobicContact CE1-CD2 3.89Å; Y29-L33 WeakPolarHBondContact O-CB 3.33Å; Y29-L33 PolarHBondContact O-N 3.07Å; I30-L33 PolarHBondContact O-N 2.97Å; L33-G37 WeakPolarHBondContact O-CA 3.48Å; L33-G37 PolarHBondContact O-N 3.32Å; L33-G37 VanDerWaalsContact O-N 3.08Å; L33-T114 HydrophobicContact CD1-CG2 3.8Å; L33-V115 HydrophobicContact CD1-CG2 4.13Å
34F98.8Very high98.8Very high92 Ų9225.1 Ų25.140%0.40413%0.13SC..Hα-helixtrans-78.4-43.6-179.7-65.8-48000112.5I30 I32 T38I30-F34 HydrophobicContact CG2-CD2 3.75Å; I30-F34 HydrophobicContact CG2-CE2 3.69Å; I30-F34 WeakPolarHBondContact O-CD2 3.41Å; I30-F34 PolarHBondContact O-N 3.38Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.13Å; F34-T38 WeakPolarHBondContact O-CG2 3.18Å; F34-T38 PolarHBondContact O-N 3.19Å; F34-T38 PolarHBondContact O-OG1 3.08Å
35G98.8Very high98.8Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-58.7-64.7177.800000112.2L31 G37 T38 V39 F59L31-G35 PolarHBondContact O-N 3Å; G35-G37 VanDerWaalsContact C-N 3.29Å; G35-G37 PolarHBondContact O-N 2.64Å; G35-T38 PolarHBondContact O-N 3.08Å; G35-T38 VanDerWaalsContact O-N 3.17Å; G35-T38 PolarHBondContact O-OG1 2.66Å; G35-V39 PolarHBondContact O-N 3.47Å; G35-F59 VanDerWaalsContact C-CE2 3.47Å; G35-F59 VanDerWaalsContact C-CZ 3.46Å; G35-F59 WeakPolarHBondContact O-CE2 3.23Å
36C98.9Very high98.7Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-65.2-31.4179.5-680000112.5I32 T38 V39 A40 V115 I142 F143I32-C36 HydrophobicContact CG2-CB 4.2Å; I32-C36 VanDerWaalsContact O-CB 3.26Å; I32-C36 WeakPolarHBondContact O-CB 3.04Å; I32-C36 PolarHBondContact O-N 2.91Å; C36-T38 VanDerWaalsContact C-N 3.34Å; C36-T38 PolarHBondContact O-N 3.37Å; C36-V39 PolarHBondContact O-N 2.93Å; C36-A40 WeakPolarHBondContact O-CB 3.45Å; C36-A40 PolarHBondContact O-N 3.24Å; C36-V115 HydrophobicContact CB-CB 4.48Å; C36-V115 HydrophobicContact CB-CG1 4.23Å; C36-V115 HydrophobicContact CB-CG2 4.2Å; C36-I142 WeakPolarHBondContact CB-O 3.22Å; C36-I142 PolarHBondContact SG-O 2.99Å; C36-F143 PolarHBondContact SG-O 3.02Å
37G98.9Very high98.7Very high10 Ų1033.3 Ų33.310%0.10317%0.167CC..Hα-helixtrans-59.1-43172.800000112.5L33 G35 A40 Q41L33-G37 WeakPolarHBondContact O-CA 3.48Å; L33-G37 PolarHBondContact O-N 3.32Å; L33-G37 VanDerWaalsContact O-N 3.08Å; G35-G37 VanDerWaalsContact C-N 3.29Å; G35-G37 PolarHBondContact O-N 2.64Å; G37-A40 PolarHBondContact O-N 2.94Å; G37-Q41 WeakPolarHBondContact O-CB 3.43Å; G37-Q41 PolarHBondContact O-N 3.18Å
38T98.8Very high98.7Very high31 Ų3141.4 Ų41.419%0.1920%0.202CC..Hα-helixtrans-66.1-38.6173.958.20000112.8F34 G35 C36 Q41 V42F34-T38 WeakPolarHBondContact O-CG2 3.18Å; F34-T38 PolarHBondContact O-N 3.19Å; F34-T38 PolarHBondContact O-OG1 3.08Å; G35-T38 PolarHBondContact O-N 3.08Å; G35-T38 VanDerWaalsContact O-N 3.17Å; G35-T38 PolarHBondContact O-OG1 2.66Å; C36-T38 VanDerWaalsContact C-N 3.34Å; C36-T38 PolarHBondContact O-N 3.37Å; T38-Q41 PolarHBondContact O-N 3.18Å; T38-V42 WeakPolarHBondContact O-CG2 3.22Å; T38-V42 PolarHBondContact O-N 3.27Å
39V98.8Very high98.6Very high14 Ų1446.6 Ų46.69%0.08523%0.229CC..Hα-helixtrans-64.5-42.2175.1-169.70000110.9G35 C36 V42 T43 I55 F59 I142G35-V39 PolarHBondContact O-N 3.47Å; C36-V39 PolarHBondContact O-N 2.93Å; V39-V42 PolarHBondContact O-N 2.93Å; V39-T43 VanDerWaalsContact O-CB 3.25Å; V39-T43 WeakPolarHBondContact O-CB 3.46Å; V39-T43 PolarHBondContact O-N 3.47Å; V39-T43 PolarHBondContact O-OG1 3.5Å; V39-I55 HydrophobicContact CG1-CD1 4.41Å; V39-I55 HydrophobicContact CG2-CD1 4.35Å; V39-I55 HydrophobicContact CG2-CG1 4.29Å; V39-I55 HydrophobicContact CG2-CG2 3.65Å; V39-F59 HydrophobicContact CG2-CE2 3.75Å; V39-F59 HydrophobicContact CG2-CZ 4.47Å; V39-I142 HydrophobicContact CG1-CB 4.46Å; V39-I142 HydrophobicContact CG1-CG1 4.39Å
40A98.9Very high98.5Very high0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-58.6-49.5175.800000110.4C36 G37 V42 T43 T44 V115 Y119 I142C36-A40 WeakPolarHBondContact O-CB 3.45Å; C36-A40 PolarHBondContact O-N 3.24Å; G37-A40 PolarHBondContact O-N 2.94Å; A40-V42 PolarHBondContact O-N 3.02Å; A40-T43 PolarHBondContact O-N 3.34Å; A40-T44 WeakPolarHBondContact O-CB 3.45Å; A40-T44 WeakPolarHBondContact O-CG2 3.4Å; A40-T44 PolarHBondContact O-N 3.41Å; A40-T44 PolarHBondContact O-OG1 3.5Å; A40-V115 HydrophobicContact CB-CG1 3.99Å; A40-Y119 HydrophobicContact CB-CD1 3.76Å; A40-Y119 HydrophobicContact CB-CD2 3.78Å; A40-Y119 HydrophobicContact CB-CE1 4.06Å; A40-Y119 HydrophobicContact CB-CE2 4.07Å; A40-Y119 HydrophobicContact CB-CG 3.63Å; A40-I142 HydrophobicContact CB-CD1 4.41Å; A40-I142 HydrophobicContact CB-CG2 3.62Å
41Q98.8Very high98.5Very high80 Ų8049.1 Ų49.137%0.37425%0.247SC..Hα-helixtrans-57.8-48.7178.1-175.2167.3-74.500112.5G37 T38 S45 N49 Y119G37-Q41 WeakPolarHBondContact O-CB 3.43Å; G37-Q41 PolarHBondContact O-N 3.18Å; T38-Q41 PolarHBondContact O-N 3.18Å; Q41-S45 WeakPolarHBondContact O-CB 3.27Å; Q41-S45 PolarHBondContact O-N 3.5Å; Q41-S45 VanDerWaalsContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 2.82Å; Q41-N49 HydrophobicContact CG-CB 3.97Å; Q41-N49 PolarHBondContact NE2-O 3.47Å; Q41-Y119 HydrophobicContact CB-CE1 4.19Å
42V98.8Very high98.4Very high10 Ų1053.5 Ų53.56%0.06126%0.263CS..Hα-helixtrans-63.7-46.2179.7174.40000110.6T38 V39 A40 S45 Q46 E47 I55T38-V42 WeakPolarHBondContact O-CG2 3.22Å; T38-V42 PolarHBondContact O-N 3.27Å; V39-V42 PolarHBondContact O-N 2.93Å; A40-V42 PolarHBondContact O-N 3.02Å; V42-S45 PolarHBondContact O-OG 3Å; V42-Q46 PolarHBondContact O-N 3.43Å; V42-E47 HydrophobicContact CG1-CG 3.96Å; V42-E47 PolarHBondContact O-N 2.86Å; V42-I55 HydrophobicContact CB-CD1 4.13Å; V42-I55 HydrophobicContact CB-CG1 4.27Å; V42-I55 HydrophobicContact CG1-CD1 4.13Å; V42-I55 HydrophobicContact CG2-CD1 4.26Å; V42-I55 HydrophobicContact CG2-CG1 3.89Å
43T98.6Very high98.4Very high31 Ų3158.2 Ų58.219%0.1929%0.288CS..Hα-helixtrans-65.2-56.4-177.4-54.20000111.5V39 A40 S45 Q46 Y126 I142V39-T43 VanDerWaalsContact O-CB 3.25Å; V39-T43 WeakPolarHBondContact O-CB 3.46Å; V39-T43 PolarHBondContact O-N 3.47Å; V39-T43 PolarHBondContact O-OG1 3.5Å; A40-T43 PolarHBondContact O-N 3.34Å; T43-S45 VanDerWaalsContact C-N 3.3Å; T43-S45 PolarHBondContact O-N 3.06Å; T43-Q46 PolarHBondContact O-N 2.93Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T43-Y126 HydrophobicContact CG2-CD1 4.24Å; T43-Y126 HydrophobicContact CG2-CE1 3.66Å; T43-Y126 WeakPolarHBondContact O-CE2 3.48Å; T43-I142 HydrophobicContact CG2-CD1 4.18Å; T43-I142 HydrophobicContact CG2-CG1 4.19Å
44T98.5Very high98.4Very high26 Ų2658.4 Ų58.416%0.1629%0.293CS..Hα-helixtrans-73.9-22.4-172.965.90000112.8A40 Q46 A122 I123 I142A40-T44 WeakPolarHBondContact O-CB 3.45Å; A40-T44 WeakPolarHBondContact O-CG2 3.4Å; A40-T44 PolarHBondContact O-N 3.41Å; A40-T44 PolarHBondContact O-OG1 3.5Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; T44-A122 HydrophobicContact CG2-CB 4.05Å; T44-I123 HydrophobicContact CG2-CG1 4Å; T44-I142 HydrophobicContact CG2-CD1 4.37Å
45S98.4Very high98.4Very high18 Ų1855.1 Ų55.113%0.12628%0.279CS..THydrogen-bonded Turntrans-85.5-3.3172.473.20000113.8Q41 V42 T43 E47 K48 N49Q41-S45 WeakPolarHBondContact O-CB 3.27Å; Q41-S45 PolarHBondContact O-N 3.5Å; Q41-S45 VanDerWaalsContact O-N 3.12Å; Q41-S45 PolarHBondContact O-OG 2.82Å; V42-S45 PolarHBondContact O-OG 3Å; T43-S45 VanDerWaalsContact C-N 3.3Å; T43-S45 PolarHBondContact O-N 3.06Å; S45-E47 VanDerWaalsContact C-N 3.31Å; S45-E47 PolarHBondContact O-N 3.46Å; S45-K48 WeakPolarHBondContact O-CB 3.24Å; S45-K48 WeakPolarHBondContact O-CG 3.29Å; S45-K48 PolarHBondContact O-N 2.9Å; S45-N49 PolarHBondContact OG-N 2.61Å; S45-N49 VanDerWaalsContact OG-N 3.11Å
46Q97.8Very high98.4Very high128 Ų12855.1 Ų55.160%0.59828%0.279SS*.THydrogen-bonded Turntrans53.351.1-174.1-59.4171.146.800110.8V42 T43 T44 K48 Y126V42-Q46 PolarHBondContact O-N 3.43Å; T43-Q46 PolarHBondContact O-N 2.93Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T44-Q46 VanDerWaalsContact C-N 3.32Å; Q46-K48 PolarHBondContact O-N 3.4Å; Q46-Y126 HydrophobicContact CG-CD2 4Å; Q46-Y126 HydrophobicContact CG-CE2 3.82Å
47E97.8Very high98.3Very high128 Ų12858.7 Ų58.760%0.59830%0.298SS*.THydrogen-bonded Turntrans63.27.3179-54.9-179.4-156.100116V42 S45 N49 G50V42-E47 HydrophobicContact CG1-CG 3.96Å; V42-E47 PolarHBondContact O-N 2.86Å; S45-E47 VanDerWaalsContact C-N 3.31Å; S45-E47 PolarHBondContact O-N 3.46Å; E47-N49 VanDerWaalsContact C-N 3.33Å; E47-N49 PolarHBondContact O-N 2.85Å; E47-G50 CarbonylContact C-O 3.39Å; E47-G50 VanDerWaalsContact CA-O 3.22Å; E47-G50 WeakPolarHBondContact CA-O 3.17Å; E47-G50 VanDerWaalsContact O-O 3.06Å
48K97.9Very high98.3Very high170 Ų17058.6 Ų58.674%0.73930%0.297SS*.THydrogen-bonded Turntrans-69.9-30.5176.6-65.8176.8-175.6174.10112.8S45 Q46S45-K48 WeakPolarHBondContact O-CB 3.24Å; S45-K48 WeakPolarHBondContact O-CG 3.29Å; S45-K48 PolarHBondContact O-N 2.9Å; Q46-K48 PolarHBondContact O-N 3.4Å
49N97.6Very high98.3Very high108 Ų10857.4 Ų57.458%0.57829%0.289SS*.THydrogen-bonded Turntrans-114.427.8-177.6-63.3-33.1000112.8Q41 S45 E47Q41-N49 HydrophobicContact CG-CB 3.97Å; Q41-N49 PolarHBondContact NE2-O 3.47Å; S45-N49 PolarHBondContact OG-N 2.61Å; S45-N49 VanDerWaalsContact OG-N 3.11Å; E47-N49 VanDerWaalsContact C-N 3.33Å; E47-N49 PolarHBondContact O-N 2.85Å
50G97.8Very high98.3Very high14 Ų1456.9 Ų56.914%0.14429%0.286CS..  trans153.6168.2173.900000112.6E47E47-G50 CarbonylContact C-O 3.39Å; E47-G50 VanDerWaalsContact CA-O 3.22Å; E47-G50 WeakPolarHBondContact CA-O 3.17Å; E47-G50 VanDerWaalsContact O-O 3.06Å
51Q97.8Very high98.3Very high124 Ų12460.9 Ų60.958%0.57931%0.307SS*.  trans-134-176.9-178.9-67.8-179.2-17.900110.7L53 S54 I55Q51-L53 VanDerWaalsContact C-N 3.25Å; Q51-L53 PolarHBondContact O-N 3.36Å; Q51-S54 PolarHBondContact N-OG 2.9Å; Q51-S54 VanDerWaalsContact N-OG 3.1Å; Q51-S54 WeakPolarHBondContact O-CA 3.33Å; Q51-S54 WeakPolarHBondContact O-CB 3.16Å; Q51-S54 PolarHBondContact O-N 3.29Å; Q51-I55 PolarHBondContact O-N 2.96Å
52Y97.7Very high98.3Very high98 Ų9857.1 Ų57.138%0.38429%0.289SS..Hα-helixtrans-50.1-43.7176.6-175.2-103000113.1S54 I55 N56 G199 G203Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 3.14Å; Y52-I55 WeakPolarHBondContact O-CA 3.46Å; Y52-I55 WeakPolarHBondContact O-CB 3.46Å; Y52-I55 PolarHBondContact O-N 3.24Å; Y52-N56 WeakPolarHBondContact CD1-OD1 3.23Å; Y52-N56 WeakPolarHBondContact CE1-OD1 3.47Å; Y52-N56 PolarHBondContact O-N 2.92Å; Y52-N56 PolarHBondContact O-OD1 2.88Å; Y52-N56 VanDerWaalsContact O-OD1 3.04Å; Y52-N56 PolarHBondContact OH-ND2 3.02Å; Y52-G199 PolarHBondContact OH-O 3.32Å; Y52-G203 VanDerWaalsContact OH-C 3.23Å; Y52-G203 WeakPolarHBondContact OH-CA 3.46Å
53L98.3Very high98.3Very high99 Ų9957.7 Ų57.752%0.51829%0.293SS..Hα-helixtrans-60.2-36.2175.8-179.361000112.6Q51 I55 N56 L57 V200Q51-L53 VanDerWaalsContact C-N 3.25Å; Q51-L53 PolarHBondContact O-N 3.36Å; L53-I55 VanDerWaalsContact C-N 3.3Å; L53-I55 PolarHBondContact O-N 3.42Å; L53-N56 PolarHBondContact O-N 3.47Å; L53-L57 HydrophobicContact CG-CD1 4.21Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 3.07Å; L53-V200 HydrophobicContact CD1-CG1 3.95Å
54S98.3Very high98.3Very high45 Ų4556.5 Ų56.532%0.31529%0.286SS..Hα-helixtrans-64.3-35.7175.3-47.30000111.7Q51 Y52 G58Q51-S54 PolarHBondContact N-OG 2.9Å; Q51-S54 VanDerWaalsContact N-OG 3.1Å; Q51-S54 WeakPolarHBondContact O-CA 3.33Å; Q51-S54 WeakPolarHBondContact O-CB 3.16Å; Q51-S54 PolarHBondContact O-N 3.29Å; Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 3.14Å; S54-G58 PolarHBondContact O-N 3.37Å
55I98.7Very high98.4Very high23 Ų2360.2 Ų60.212%0.11830%0.3CS..Hα-helixtrans-65.4-45.9173.5-62.1171.5000110.2V39 V42 Q51 Y52 L53 L57 G58 F59V39-I55 HydrophobicContact CG1-CD1 4.41Å; V39-I55 HydrophobicContact CG2-CD1 4.35Å; V39-I55 HydrophobicContact CG2-CG1 4.29Å; V39-I55 HydrophobicContact CG2-CG2 3.65Å; V42-I55 HydrophobicContact CB-CD1 4.13Å; V42-I55 HydrophobicContact CB-CG1 4.27Å; V42-I55 HydrophobicContact CG1-CD1 4.13Å; V42-I55 HydrophobicContact CG2-CD1 4.26Å; V42-I55 HydrophobicContact CG2-CG1 3.89Å; Q51-I55 PolarHBondContact O-N 2.96Å; Y52-I55 WeakPolarHBondContact O-CA 3.46Å; Y52-I55 WeakPolarHBondContact O-CB 3.46Å; Y52-I55 PolarHBondContact O-N 3.24Å; L53-I55 VanDerWaalsContact C-N 3.3Å; L53-I55 PolarHBondContact O-N 3.42Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.16Å; I55-G58 PolarHBondContact O-N 3.28Å; I55-F59 HydrophobicContact CG2-CD2 3.87Å; I55-F59 HydrophobicContact CG2-CE2 4.02Å; I55-F59 WeakPolarHBondContact O-CD2 3.45Å; I55-F59 PolarHBondContact O-N 3.28Å
56N98.7Very high98.4Very high1 Ų159.3 Ų59.31%0.00529%0.294CS..Hα-helixtrans-61.7-43.1178.1-53.3126.2000111.6Y52 L53 A60 L196 G199 V200 Y208Y52-N56 WeakPolarHBondContact CD1-OD1 3.23Å; Y52-N56 WeakPolarHBondContact CE1-OD1 3.47Å; Y52-N56 PolarHBondContact O-N 2.92Å; Y52-N56 PolarHBondContact O-OD1 2.88Å; Y52-N56 VanDerWaalsContact O-OD1 3.04Å; Y52-N56 PolarHBondContact OH-ND2 3.02Å; L53-N56 PolarHBondContact O-N 3.47Å; N56-A60 VanDerWaalsContact O-CB 3.24Å; N56-A60 WeakPolarHBondContact O-CB 3.15Å; N56-A60 PolarHBondContact O-N 2.86Å; N56-L196 HydrophobicContact CB-CD1 3.79Å; N56-G199 VanDerWaalsContact ND2-C 3.29Å; N56-G199 WeakPolarHBondContact ND2-CA 3.4Å; N56-G199 PolarHBondContact ND2-O 2.88Å; N56-V200 HydrophobicContact CB-CG1 3.95Å; N56-Y208 WeakPolarHBondContact CA-OH 3.39Å; N56-Y208 VanDerWaalsContact ND2-CE1 3.3Å; N56-Y208 WeakPolarHBondContact ND2-CE1 3.38Å; N56-Y208 PolarHBondContact ND2-OH 3.26Å; N56-Y208 VanDerWaalsContact ND2-OH 3.12Å
57L98.7Very high98.4Very high75 Ų7553.9 Ų53.939%0.39327%0.269SS..Hα-helixtrans-63.3-41.4174.4-74.2169.3000112.2L53 I55 A60 L61 L196L53-L57 HydrophobicContact CG-CD1 4.21Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 3.07Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.16Å; L57-A60 PolarHBondContact O-N 2.99Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 3.39Å; L57-L196 HydrophobicContact CD2-CD1 3.99Å; L57-L196 HydrophobicContact CD2-CD2 4.04Å; L57-L196 HydrophobicContact CG-CD1 4.25Å
58G98.7Very high98.4Very high7 Ų752.9 Ų52.97%0.07226%0.263CS..Hα-helixtrans-59.6-48.4177.200000112.8S54 I55 G62S54-G58 PolarHBondContact O-N 3.37Å; I55-G58 PolarHBondContact O-N 3.28Å; G58-G62 PolarHBondContact O-N 2.88Å
59F98.8Very high98.4Very high6 Ų648.1 Ų48.13%0.02625%0.248CC..Hα-helixtrans-66.2-42.4175.1-86.7-79.2000112.5L31 G35 V39 I55 G62 V63 V195 Y208 R214L31-F59 HydrophobicContact CD1-CD1 4.05Å; G35-F59 VanDerWaalsContact C-CE2 3.47Å; G35-F59 VanDerWaalsContact C-CZ 3.46Å; G35-F59 WeakPolarHBondContact O-CE2 3.23Å; V39-F59 HydrophobicContact CG2-CE2 3.75Å; V39-F59 HydrophobicContact CG2-CZ 4.47Å; I55-F59 HydrophobicContact CG2-CD2 3.87Å; I55-F59 HydrophobicContact CG2-CE2 4.02Å; I55-F59 WeakPolarHBondContact O-CD2 3.45Å; I55-F59 PolarHBondContact O-N 3.28Å; F59-G62 PolarHBondContact O-N 3.3Å; F59-V63 WeakPolarHBondContact O-CG2 3.32Å; F59-V63 PolarHBondContact O-N 3.46Å; F59-V195 HydrophobicContact CB-CG1 4.46Å; F59-Y208 HydrophobicContact CB-CE2 4.24Å; F59-Y208 HydrophobicContact CG-CE2 4.37Å; F59-R214 HydrophobicContact CE1-CG 4.19Å; F59-R214 VanDerWaalsContact CZ-CZ 3.43Å
60A98.8Very high98.5Very high4 Ų443 Ų433%0.03322%0.22CC..Hα-helixtrans-60.3-49.4178.600000112.2N56 L57 G62 V63 T64 G192 L196N56-A60 VanDerWaalsContact O-CB 3.24Å; N56-A60 WeakPolarHBondContact O-CB 3.15Å; N56-A60 PolarHBondContact O-N 2.86Å; L57-A60 PolarHBondContact O-N 2.99Å; A60-G62 VanDerWaalsContact C-N 3.33Å; A60-V63 PolarHBondContact O-N 3.22Å; A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.32Å; A60-G192 VanDerWaalsContact CB-O 3.3Å; A60-G192 WeakPolarHBondContact CB-O 3.36Å; A60-G192 VanDerWaalsContact O-CA 3.28Å; A60-G192 WeakPolarHBondContact O-CA 3.29Å; A60-L196 HydrophobicContact CB-CB 3.66Å; A60-L196 HydrophobicContact CB-CD1 4.3Å; A60-L196 HydrophobicContact CB-CG 4.46Å
61L98.8Very high98.4Very high84 Ų8446.1 Ų46.144%0.4423%0.228SC..Hα-helixtrans-69.1-33.6176.6-67176.3000111.8L57 V63 T64 F65L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 WeakPolarHBondContact O-CG 3.32Å; L57-L61 PolarHBondContact O-N 3.39Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 2.94Å; L61-T64 PolarHBondContact O-N 2.83Å; L61-F65 HydrophobicContact CB-CD2 4.46Å; L61-F65 VanDerWaalsContact O-CD2 3.24Å; L61-F65 WeakPolarHBondContact O-CD2 3.1Å; L61-F65 PolarHBondContact O-N 3.28Å
62G98.8Very high98.3Very high0 Ų044.1 Ų44.10%024%0.24CC..Hα-helixtrans-56.8-44.1170.100000112.4G58 F59 A60 G66G58-G62 PolarHBondContact O-N 2.88Å; F59-G62 PolarHBondContact O-N 3.3Å; A60-G62 VanDerWaalsContact C-N 3.33Å; G62-G66 WeakPolarHBondContact O-CA 3.25Å; G62-G66 PolarHBondContact O-N 3.48Å
63V98.8Very high98.2Very high22 Ų2242.3 Ų42.313%0.13324%0.24CC..Hα-helixtrans-65.7-49.4173.4171.40000110.8L31 F59 A60 L61 F65 G66 V67 A191 V195L31-V63 HydrophobicContact CD1-CB 4.37Å; L31-V63 HydrophobicContact CD1-CG2 3.32Å; L31-V63 HydrophobicContact CD2-CG2 4.23Å; L31-V63 HydrophobicContact CG-CG2 4.34Å; F59-V63 WeakPolarHBondContact O-CG2 3.32Å; F59-V63 PolarHBondContact O-N 3.46Å; A60-V63 PolarHBondContact O-N 3.22Å; L61-V63 VanDerWaalsContact C-N 3.32Å; L61-V63 PolarHBondContact O-N 2.94Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 3.42Å; V63-G66 PolarHBondContact O-N 3.2Å; V63-G66 VanDerWaalsContact O-N 3.16Å; V63-V67 HydrophobicContact CG1-CG2 4.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.43Å; V63-V67 PolarHBondContact O-N 3.36Å; V63-A191 HydrophobicContact CG1-CB 4.25Å; V63-V195 HydrophobicContact CB-CG2 4.47Å; V63-V195 HydrophobicContact CG1-CG2 4.34Å; V63-V195 HydrophobicContact CG2-CB 4.43Å; V63-V195 HydrophobicContact CG2-CG1 4.28Å; V63-V195 HydrophobicContact CG2-CG2 4.04Å
64T98.8Very high98.2Very high6 Ų638 Ų384%0.03722%0.217CC..Hα-helixtrans-52.3-52179.1-63.20000111.9A60 L61 V67 F68 P188 L189 G192A60-T64 PolarHBondContact O-N 3.42Å; A60-T64 PolarHBondContact O-OG1 3.32Å; L61-T64 PolarHBondContact O-N 2.83Å; T64-V67 PolarHBondContact O-N 2.8Å; T64-F68 HydrophobicContact CG2-CD2 3.82Å; T64-F68 HydrophobicContact CG2-CE2 3.58Å; T64-F68 VanDerWaalsContact O-CD2 3.24Å; T64-F68 WeakPolarHBondContact O-CD2 3.5Å; T64-F68 PolarHBondContact O-N 3.46Å; T64-P188 WeakPolarHBondContact CA-O 3.32Å; T64-P188 HydrophobicContact CG2-CB 4.49Å; T64-P188 PolarHBondContact OG1-O 3.47Å; T64-L189 HydrophobicContact CG2-CD1 4.49Å; T64-G192 WeakPolarHBondContact OG1-CA 3.45Å
65F98.8Very high98.1Very high104 Ų10437.9 Ų37.946%0.45622%0.224SC..Hα-helixtrans-73.3-33.7179.8-72.2-64000112.5I30 L61 V63 V67 F68 V69I30-F65 HydrophobicContact CG2-CB 3.85Å; L61-F65 HydrophobicContact CB-CD2 4.46Å; L61-F65 VanDerWaalsContact O-CD2 3.24Å; L61-F65 WeakPolarHBondContact O-CD2 3.1Å; L61-F65 PolarHBondContact O-N 3.28Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 3.42Å; F65-V67 VanDerWaalsContact C-N 3.26Å; F65-V67 PolarHBondContact O-N 3.46Å; F65-F68 HydrophobicContact CD1-CD2 4.14Å; F65-F68 PolarHBondContact O-N 3.43Å; F65-V69 WeakPolarHBondContact O-CG1 3.35Å; F65-V69 WeakPolarHBondContact O-CG2 3.41Å; F65-V69 PolarHBondContact O-N 3.24Å
66G98.7Very high98Very high0 Ų037.4 Ų37.40%022%0.224CC..Hα-helixtrans-56.3-42.217100000111.9G27 G62 V63 V69 S70 L78G27-G66 WeakPolarHBondContact O-CA 3.36Å; G62-G66 WeakPolarHBondContact O-CA 3.25Å; G62-G66 PolarHBondContact O-N 3.48Å; V63-G66 PolarHBondContact O-N 3.2Å; V63-G66 VanDerWaalsContact O-N 3.16Å; G66-V69 VanDerWaalsContact O-CG2 3.26Å; G66-V69 WeakPolarHBondContact O-CG2 3.25Å; G66-S70 PolarHBondContact O-N 3.23Å; G66-S70 PolarHBondContact O-OG 3.39Å; G66-L78 VanDerWaalsContact C-CD1 3.44Å
67V98.6Very high98Very high13 Ų1338.4 Ų38.48%0.07923%0.228CC..Hα-helixtrans-68.5-47.1175.1176.40000110.5V63 T64 F65 V69 S70 R71 A76 L78 P188 A191V63-V67 HydrophobicContact CG1-CG2 4.29Å; V63-V67 WeakPolarHBondContact O-CG2 3.43Å; V63-V67 PolarHBondContact O-N 3.36Å; T64-V67 PolarHBondContact O-N 2.8Å; F65-V67 VanDerWaalsContact C-N 3.26Å; F65-V67 PolarHBondContact O-N 3.46Å; V67-V69 VanDerWaalsContact C-N 3.3Å; V67-V69 PolarHBondContact O-N 2.84Å; V67-S70 PolarHBondContact O-N 3.04Å; V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.48Å; V67-R71 WeakPolarHBondContact O-CB 3.3Å; V67-R71 PolarHBondContact O-N 2.84Å; V67-A76 HydrophobicContact CB-CB 4.13Å; V67-A76 HydrophobicContact CG1-CB 3.88Å; V67-A76 HydrophobicContact CG2-CB 4.13Å; V67-L78 HydrophobicContact CG2-CD1 3.93Å; V67-P188 HydrophobicContact CB-CB 3.99Å; V67-P188 HydrophobicContact CG1-CB 3.74Å; V67-P188 HydrophobicContact CG1-CG 3.76Å; V67-A191 HydrophobicContact CG2-CB 4.44Å
68F98.3Very high98Very high107 Ų10735.2 Ų35.247%0.46921%0.211SC..Hα-helixtrans-55.6-41.5178.3-84.1-58.4000113.3T64 F65 S70 P188T64-F68 HydrophobicContact CG2-CD2 3.82Å; T64-F68 HydrophobicContact CG2-CE2 3.58Å; T64-F68 VanDerWaalsContact O-CD2 3.24Å; T64-F68 WeakPolarHBondContact O-CD2 3.5Å; T64-F68 PolarHBondContact O-N 3.46Å; F65-F68 HydrophobicContact CD1-CD2 4.14Å; F65-F68 PolarHBondContact O-N 3.43Å; F68-S70 VanDerWaalsContact C-N 3.35Å; F68-S70 PolarHBondContact O-N 2.82Å; F68-P188 HydrophobicContact CD1-CB 4.03Å; F68-P188 HydrophobicContact CD1-CG 3.83Å; F68-P188 HydrophobicContact CD2-CB 3.88Å; F68-P188 HydrophobicContact CE1-CB 3.9Å; F68-P188 HydrophobicContact CE1-CG 3.64Å; F68-P188 HydrophobicContact CE2-CB 3.75Å; F68-P188 HydrophobicContact CE2-CG 4.42Å; F68-P188 HydrophobicContact CG-CB 4.02Å; F68-P188 HydrophobicContact CG-CG 4.28Å; F68-P188 HydrophobicContact CZ-CB 3.75Å; F68-P188 HydrophobicContact CZ-CG 3.96Å
69V98.1Very high98Very high70 Ų7035.2 Ų35.242%0.42421%0.21SC..Hα-helixtrans-75.6-20.6-176.7-61.10000114L26 I30 F65 G66 V67L26-V69 HydrophobicContact CD2-CB 4.49Å; L26-V69 HydrophobicContact CG-CG2 4.23Å; I30-V69 HydrophobicContact CG1-CG2 4.17Å; F65-V69 WeakPolarHBondContact O-CG1 3.35Å; F65-V69 WeakPolarHBondContact O-CG2 3.41Å; F65-V69 PolarHBondContact O-N 3.24Å; G66-V69 VanDerWaalsContact O-CG2 3.26Å; G66-V69 WeakPolarHBondContact O-CG2 3.25Å; V67-V69 VanDerWaalsContact C-N 3.3Å; V67-V69 PolarHBondContact O-N 2.84Å
70S98Very high98Very high0 Ų035.3 Ų35.30%021%0.211CC..Hα-helixtrans-120-25-168.462.30000114.6A23 G66 V67 F68 G72 V73 S74 A76A23-S70 WeakPolarHBondContact O-CB 3.37Å; G66-S70 PolarHBondContact O-N 3.23Å; G66-S70 PolarHBondContact O-OG 3.39Å; V67-S70 PolarHBondContact O-N 3.04Å; F68-S70 VanDerWaalsContact C-N 3.35Å; F68-S70 PolarHBondContact O-N 2.82Å; S70-G72 PolarHBondContact O-N 3.08Å; S70-V73 PolarHBondContact O-N 2.89Å; S70-S74 PolarHBondContact O-N 3.4Å; S70-S74 PolarHBondContact O-OG 2.73Å; S70-A76 WeakPolarHBondContact OG-CB 3.45Å
71R96.1Very high98Very high80 Ų8035.1 Ų35.130%0.30221%0.209SC..Hα-helixtrans-54.8-45.6-170.1178-178.7171.7114.9-1.9113.4V67 V73 G75 A76 D184 Q187V67-R71 HydrophobicContact CG1-CB 4.02Å; V67-R71 HydrophobicContact CG1-CG 4.48Å; V67-R71 WeakPolarHBondContact O-CB 3.3Å; V67-R71 PolarHBondContact O-N 2.84Å; R71-V73 PolarHBondContact O-N 2.89Å; R71-V73 VanDerWaalsContact O-N 3.08Å; R71-G75 WeakPolarHBondContact O-CA 3.13Å; R71-G75 PolarHBondContact O-N 3.1Å; R71-A76 HydrophobicContact CB-CB 3.85Å; R71-D184 IonicContact NH2-OD1 2.7Å; R71-D184 PolarHBondContact NH2-OD1 3.3Å; R71-Q187 VanDerWaalsContact NH2-CD 3.31Å
72G95.4Very high98Very high82 Ų8231.9 Ų31.985%0.84519%0.193SC*.Hα-helixtrans-66.8-8.4-177.800000114.9S70S70-G72 PolarHBondContact O-N 3.08Å
73V96.8Very high98Very high60 Ų6031.9 Ų31.936%0.36419%0.193SC..Hα-helixtrans-116.7-50.8179.7-176.70000111.8R19 E20 A23 S70 R71R19-V73 HydrophobicContact CB-CG1 3.99Å; E20-V73 WeakPolarHBondContact CG-O 3.47Å; A23-V73 HydrophobicContact CB-CB 3.75Å; A23-V73 HydrophobicContact CB-CG1 3.92Å; S70-V73 PolarHBondContact O-N 2.89Å; R71-V73 PolarHBondContact O-N 2.89Å; R71-V73 VanDerWaalsContact O-N 3.08Å
74S97Very high98Very high8 Ų832.6 Ų32.66%0.05620%0.196CC..Hα-helixtrans-103.1-13.7-173.864.30000115.3E20 E24 S70 A76 Y100E20-S74 WeakPolarHBondContact O-CB 3.46Å; E24-S74 WeakPolarHBondContact OE1-CB 3.27Å; E24-S74 PolarHBondContact OE1-OG 3.3Å; S70-S74 PolarHBondContact O-N 3.4Å; S70-S74 PolarHBondContact O-OG 2.73Å; S74-A76 VanDerWaalsContact C-N 3.3Å; S74-A76 PolarHBondContact OG-N 3.37Å; S74-Y100 PolarHBondContact O-OH 3.32Å
75G96.3Very high98Very high44 Ų4432.3 Ų32.345%0.45419%0.194SC..  trans86.5-5.4-163.600000114R71R71-G75 WeakPolarHBondContact O-CA 3.13Å; R71-G75 PolarHBondContact O-N 3.1Å
76A97.9Very high98Very high13 Ų1328.9 Ų28.911%0.10718%0.18CC..  trans54.660.6179.400000114.1E24 V67 S70 R71 S74 L78E24-A76 WeakPolarHBondContact OE1-CA 3.44Å; E24-A76 PolarHBondContact OE1-N 3.2Å; V67-A76 HydrophobicContact CB-CB 4.13Å; V67-A76 HydrophobicContact CG1-CB 3.88Å; V67-A76 HydrophobicContact CG2-CB 4.13Å; S70-A76 WeakPolarHBondContact OG-CB 3.45Å; R71-A76 HydrophobicContact CB-CB 3.85Å; S74-A76 VanDerWaalsContact C-N 3.3Å; S74-A76 PolarHBondContact OG-N 3.37Å; A76-L78 HydrophobicContact CB-CD2 4.5Å; A76-L78 HydrophobicContact CB-CG 4.31Å
77H98.6Very high98Very high21 Ų2128.9 Ų28.910%0.09718%0.181CC..  trans-70.9-44.8175.8-64-173.4000111E24 N79 V82 T83 L86 H92 Y100E24-H77 PolarHBondContact OE1-N 3.25Å; H77-N79 WeakPolarHBondContact O-CB 3.31Å; H77-N79 PolarHBondContact O-N 2.88Å; H77-V82 HydrophobicContact CB-CG1 4.33Å; H77-T83 VanDerWaalsContact CB-OG1 3.31Å; H77-T83 WeakPolarHBondContact CB-OG1 3.5Å; H77-T83 WeakPolarHBondContact ND1-CA 3.31Å; H77-T83 WeakPolarHBondContact ND1-CG2 3.3Å; H77-T83 PolarHBondContact ND1-OG1 3.35Å; H77-L86 WeakPolarHBondContact NE2-CD1 3.32Å; H77-H92 AromaticContact CE1-CD2 3.87Å; H77-H92 AromaticContact CE1-CE1 3.58Å; H77-H92 AromaticContact CE1-CG 3.58Å; H77-H92 AromaticContact CE1-ND1 3.41Å; H77-H92 PolarHBondContact CE1-ND1 3.02Å; H77-H92 AromaticContact CE1-NE2 3.88Å; H77-H92 AromaticContact NE2-ND1 3.94Å; H77-Y100 HydrophobicContact CB-CD1 4.41Å; H77-Y100 AromaticContact CE1-CE1 3.91Å; H77-Y100 AromaticContact ND1-CD1 3.63Å; H77-Y100 AromaticContact ND1-CE1 3.69Å
78L98.7Very high97.9Very high8 Ų831.6 Ų31.64%0.04220%0.197CC..  trans56.35176.4-47.7-173.7000115.2E24 V28 G66 V67 A76 N211E24-L78 WeakPolarHBondContact OE2-CA 3.35Å; E24-L78 PolarHBondContact OE2-N 3.39Å; V28-L78 HydrophobicContact CG2-CB 3.88Å; V28-L78 HydrophobicContact CG2-CD2 4.11Å; V28-L78 VanDerWaalsContact CG2-O 3.3Å; V28-L78 WeakPolarHBondContact CG2-O 3.12Å; G66-L78 VanDerWaalsContact C-CD1 3.44Å; V67-L78 HydrophobicContact CG2-CD1 3.93Å; A76-L78 HydrophobicContact CB-CD2 4.5Å; A76-L78 HydrophobicContact CB-CG 4.31Å; L78-N211 PolarHBondContact O-ND2 2.71Å
79N98.8Very high97.7Very high7 Ų728.6 Ų28.64%0.03719%0.186CC..SBendtrans-153123.4-167.8-176.9-15.1000109.4H77 A81 V82 T83 L210 N211 P212H77-N79 WeakPolarHBondContact O-CB 3.31Å; H77-N79 PolarHBondContact O-N 2.88Å; N79-A81 VanDerWaalsContact C-N 3.27Å; N79-A81 PolarHBondContact O-N 3.32Å; N79-A81 WeakPolarHBondContact OD1-CB 3.06Å; N79-A81 PolarHBondContact OD1-N 3.44Å; N79-V82 HydrophobicContact CB-CB 3.99Å; N79-V82 HydrophobicContact CB-CG2 3.73Å; N79-V82 PolarHBondContact O-N 2.85Å; N79-T83 PolarHBondContact O-N 2.82Å; N79-T83 PolarHBondContact O-OG1 3.42Å; N79-L210 PolarHBondContact ND2-O 3.5Å; N79-N211 HydrophobicContact CB-CB 4.28Å; N79-N211 VanDerWaalsContact CG-CG 3.45Å; N79-N211 WeakPolarHBondContact ND2-CB 3.45Å; N79-N211 WeakPolarHBondContact OD1-CA 3.45Å; N79-P212 VanDerWaalsContact OD1-CD 3.3Å; N79-P212 WeakPolarHBondContact OD1-CD 3.35Å
80P98.9Very high97.6Very high8 Ų828.4 Ų28.45%0.05220%0.198CC..Hα-helixtrans-57.7-36.1175.2-29.237000113.6T83 L84 T101 Q104 N211 P212 A213P80-T83 PolarHBondContact O-N 3.08Å; P80-L84 VanDerWaalsContact O-CB 3.31Å; P80-L84 WeakPolarHBondContact O-CB 3.44Å; P80-L84 PolarHBondContact O-N 3.35Å; P80-T101 HydrophobicContact CB-CG2 4.03Å; P80-T101 HydrophobicContact CG-CG2 3.93Å; P80-Q104 VanDerWaalsContact CG-OE1 3.28Å; P80-Q104 VanDerWaalsContact N-OE1 3.08Å; P80-N211 VanDerWaalsContact CD-OD1 3.31Å; P80-N211 WeakPolarHBondContact CD-OD1 3.31Å; P80-P212 HydrophobicContact CB-CB 4.15Å; P80-P212 HydrophobicContact CB-CG 4.18Å; P80-P212 HydrophobicContact CG-CB 4.05Å; P80-A213 HydrophobicContact CG-CB 3.86Å
81A98.8Very high97.5Very high0 Ų033.5 Ų33.50%022%0.217CC..Hα-helixtrans-67.3-37.2177.600000112.2N79 S85 T164 P246N79-A81 VanDerWaalsContact C-N 3.27Å; N79-A81 PolarHBondContact O-N 3.32Å; N79-A81 WeakPolarHBondContact OD1-CB 3.06Å; N79-A81 PolarHBondContact OD1-N 3.44Å; A81-S85 WeakPolarHBondContact O-CB 3.18Å; A81-S85 PolarHBondContact O-N 2.96Å; A81-S85 PolarHBondContact O-OG 2.94Å; A81-T164 HydrophobicContact CB-CG2 4.27Å; A81-P246 HydrophobicContact CB-CB 4.16Å; A81-P246 WeakPolarHBondContact CB-O 3.42Å
82V98.7Very high97.6Very high16 Ų1630.4 Ų30.410%0.09721%0.206CC..Hα-helixtrans-66.9-46.7173.4174.70000110.3H77 N79 L84 S85 L86 L168H77-V82 HydrophobicContact CB-CG1 4.33Å; N79-V82 HydrophobicContact CB-CB 3.99Å; N79-V82 HydrophobicContact CB-CG2 3.73Å; N79-V82 PolarHBondContact O-N 2.85Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.72Å; V82-S85 PolarHBondContact O-N 3.32Å; V82-L86 HydrophobicContact CG1-CD1 4Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 WeakPolarHBondContact O-CG 3.22Å; V82-L86 PolarHBondContact O-N 2.92Å; V82-L168 HydrophobicContact CB-CD1 4.45Å; V82-L168 HydrophobicContact CG1-CD1 4.44Å; V82-L168 HydrophobicContact CG2-CD1 4.07Å; V82-L168 HydrophobicContact CG2-CD2 3.81Å
83T98.8Very high97.7Very high0 Ų029.9 Ų29.90%019%0.188CC..Hα-helixtrans-59.1-45.3178.9-50.90000111.3H77 N79 P80 L86 C87 L97 Y100 Q104H77-T83 VanDerWaalsContact CB-OG1 3.31Å; H77-T83 WeakPolarHBondContact CB-OG1 3.5Å; H77-T83 WeakPolarHBondContact ND1-CA 3.31Å; H77-T83 WeakPolarHBondContact ND1-CG2 3.3Å; H77-T83 PolarHBondContact ND1-OG1 3.35Å; N79-T83 PolarHBondContact O-N 2.82Å; N79-T83 PolarHBondContact O-OG1 3.42Å; P80-T83 PolarHBondContact O-N 3.08Å; T83-L86 PolarHBondContact O-N 3.47Å; T83-C87 PolarHBondContact O-N 2.62Å; T83-C87 PolarHBondContact O-SG 3.12Å; T83-C87 VanDerWaalsContact O-SG 3.4Å; T83-L97 HydrophobicContact CG2-CB 4.49Å; T83-L97 HydrophobicContact CG2-CD1 3.49Å; T83-L97 VanDerWaalsContact CG2-CD1 3.49Å; T83-Y100 HydrophobicContact CG2-CD1 4.15Å; T83-Y100 HydrophobicContact CG2-CG 4.28Å; T83-Q104 PolarHBondContact OG1-NE2 3.26Å; T83-Q104 VanDerWaalsContact OG1-NE2 3.07Å
84L98.8Very high97.8Very high37 Ų3733.7 Ų33.719%0.19420%0.196CC..Hα-helixtrans-60.7-46.2175.8176.264.2000111.8P80 V82 L86 C87 V88 W94 L97 C247 L251P80-L84 VanDerWaalsContact O-CB 3.31Å; P80-L84 WeakPolarHBondContact O-CB 3.44Å; P80-L84 PolarHBondContact O-N 3.35Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.72Å; L84-L86 VanDerWaalsContact C-N 3.35Å; L84-L86 PolarHBondContact O-N 3.26Å; L84-C87 WeakPolarHBondContact O-CB 3.34Å; L84-C87 PolarHBondContact O-N 3.26Å; L84-C87 VanDerWaalsContact O-N 3.14Å; L84-V88 PolarHBondContact O-N 3.08Å; L84-W94 HydrophobicContact CD1-CH2 4.02Å; L84-W94 HydrophobicContact CD1-CZ3 3.83Å; L84-L97 HydrophobicContact CB-CD1 4.32Å; L84-L97 HydrophobicContact CD1-CD2 3.94Å; L84-C247 HydrophobicContact CD2-CB 3.78Å; L84-L251 HydrophobicContact CD2-CD1 4.37Å; L84-L251 HydrophobicContact CG-CD2 4.48Å
85S98.3Very high97.8Very high1 Ų140.5 Ų40.51%0.00723%0.229CC..Hα-helixtrans-63.1-42.1-178.8-55.50000111.5A81 V82 C87 V88 L89 G250A81-S85 WeakPolarHBondContact O-CB 3.18Å; A81-S85 PolarHBondContact O-N 2.96Å; A81-S85 PolarHBondContact O-OG 2.94Å; V82-S85 PolarHBondContact O-N 3.32Å; S85-C87 VanDerWaalsContact C-N 3.32Å; S85-C87 PolarHBondContact O-N 3.48Å; S85-V88 PolarHBondContact O-N 3.48Å; S85-L89 WeakPolarHBondContact O-CG 3.5Å; S85-L89 PolarHBondContact O-N 2.81Å; S85-G250 VanDerWaalsContact OG-C 3.28Å
86L98.1Very high97.9Very high31 Ų3140.6 Ų40.616%0.16222%0.216CC..Hα-helixtrans-66.2-32.2174.6-65.8174.8000112.7H77 V82 T83 L84 G90 R91 H92H77-L86 WeakPolarHBondContact NE2-CD1 3.32Å; V82-L86 HydrophobicContact CG1-CD1 4Å; V82-L86 HydrophobicContact CG1-CG 4.41Å; V82-L86 WeakPolarHBondContact O-CG 3.22Å; V82-L86 PolarHBondContact O-N 2.92Å; T83-L86 PolarHBondContact O-N 3.47Å; L84-L86 VanDerWaalsContact C-N 3.35Å; L84-L86 PolarHBondContact O-N 3.26Å; L86-G90 PolarHBondContact O-N 3.26Å; L86-R91 HydrophobicContact CB-CB 4.39Å; L86-R91 HydrophobicContact CD2-CB 4.17Å; L86-R91 CarbonylContact O-C 3.6Å; L86-R91 WeakPolarHBondContact O-CA 3.47Å; L86-R91 PolarHBondContact O-N 3.48Å; L86-H92 HydrophobicContact CB-CB 3.87Å; L86-H92 PolarHBondContact O-N 3.11Å; L86-H92 VanDerWaalsContact O-N 3.07Å
87C98.3Very high97.9Very high1 Ų141.4 Ų41.41%0.00722%0.219CC..Hα-helixtrans-64.9-43.4171.3-76.80000112.4T83 L84 S85 L89 G90 H92 W94T83-C87 PolarHBondContact O-N 2.62Å; T83-C87 PolarHBondContact O-SG 3.12Å; T83-C87 VanDerWaalsContact O-SG 3.4Å; L84-C87 WeakPolarHBondContact O-CB 3.34Å; L84-C87 PolarHBondContact O-N 3.26Å; L84-C87 VanDerWaalsContact O-N 3.14Å; S85-C87 VanDerWaalsContact C-N 3.32Å; S85-C87 PolarHBondContact O-N 3.48Å; C87-L89 VanDerWaalsContact C-N 3.29Å; C87-L89 PolarHBondContact O-N 3.45Å; C87-G90 PolarHBondContact O-N 2.88Å; C87-H92 WeakPolarHBondContact CA-O 3.4Å; C87-H92 PolarHBondContact SG-O 2.6Å; C87-W94 HydrophobicContact CB-CD2 3.73Å; C87-W94 HydrophobicContact CB-CE3 3.85Å; C87-W94 HydrophobicContact CB-CG 4.32Å; C87-W94 HydrophobicContact CB-CH2 4.02Å; C87-W94 HydrophobicContact CB-CZ2 3.89Å; C87-W94 HydrophobicContact CB-CZ3 4Å; C87-W94 PolarHBondContact O-NE1 3.36Å
88V97.4Very high97.9Very high70 Ų7044.1 Ų44.142%0.42424%0.238SC..Hα-helixtrans-63.3-36.4177.4170.60000111.7L84 S85 G90 W94 L251L84-V88 PolarHBondContact O-N 3.08Å; S85-V88 PolarHBondContact O-N 3.48Å; V88-G90 PolarHBondContact O-N 3.05Å; V88-W94 HydrophobicContact CB-CZ2 4.48Å; V88-W94 HydrophobicContact CG2-CH2 3.61Å; V88-W94 HydrophobicContact CG2-CZ2 3.77Å; V88-L251 HydrophobicContact CB-CD2 3.82Å; V88-L251 HydrophobicContact CG1-CD2 4.1Å; V88-L251 HydrophobicContact CG2-CD2 3.54Å
89L94.5Very high97.9Very high44 Ų4448.4 Ų48.423%0.2326%0.257CS..THydrogen-bonded Turntrans-73.7-4.5173.6-68.1179.2000114.7S85 C87 R91 L172 T254 E258S85-L89 WeakPolarHBondContact O-CG 3.5Å; S85-L89 PolarHBondContact O-N 2.81Å; C87-L89 VanDerWaalsContact C-N 3.29Å; C87-L89 PolarHBondContact O-N 3.45Å; L89-R91 HydrophobicContact CB-CB 4.45Å; L89-R91 HydrophobicContact CB-CG 3.9Å; L89-R91 PolarHBondContact O-N 2.99Å; L89-L172 HydrophobicContact CD1-CD1 4.37Å; L89-L172 HydrophobicContact CD1-CD2 4.08Å; L89-T254 HydrophobicContact CD1-CG2 3.43Å; L89-T254 VanDerWaalsContact CD1-CG2 3.43Å; L89-T254 HydrophobicContact CD2-CG2 3.5Å; L89-T254 HydrophobicContact CG-CG2 3.48Å; L89-T254 VanDerWaalsContact CG-CG2 3.48Å; L89-E258 WeakPolarHBondContact CD1-OE1 3.3Å; L89-E258 HydrophobicContact CD2-CG 3.69Å; L89-E258 VanDerWaalsContact CD2-OE1 3.32Å; L89-E258 WeakPolarHBondContact CD2-OE1 3.31Å
90G95.7Very high97.9Very high66 Ų6648.2 Ų48.268%0.6826%0.256SS*.THydrogen-bonded Turntrans7010.6-172.700000114.2L86 C87 V88L86-G90 PolarHBondContact O-N 3.26Å; C87-G90 PolarHBondContact O-N 2.88Å; V88-G90 PolarHBondContact O-N 3.05Å
91R95.4Very high97.9Very high106 Ų10649.4 Ų49.440%0.426%0.263SS..SBendtrans-84.8-10.5177.6-61.1-179.5-170.6-174.61.4112.8L86 L89 E258 E262L86-R91 HydrophobicContact CB-CB 4.39Å; L86-R91 HydrophobicContact CD2-CB 4.17Å; L86-R91 CarbonylContact O-C 3.6Å; L86-R91 WeakPolarHBondContact O-CA 3.47Å; L86-R91 PolarHBondContact O-N 3.48Å; L89-R91 HydrophobicContact CB-CB 4.45Å; L89-R91 HydrophobicContact CB-CG 3.9Å; L89-R91 PolarHBondContact O-N 2.99Å; R91-E258 IonicContact CZ-OE1 3.25Å; R91-E258 VanDerWaalsContact CZ-OE1 3.25Å; R91-E258 IonicContact NE-OE1 3.99Å; R91-E258 IonicContact NH1-OE1 3.63Å; R91-E258 IonicContact NH2-OE1 2.69Å; R91-E258 PolarHBondContact NH2-OE1 2.9Å; R91-E258 IonicContact NH2-OE2 3.6Å; R91-E262 IonicContact CZ-OE1 3.75Å; R91-E262 IonicContact CZ-OE2 3.48Å; R91-E262 IonicContact NH1-OE2 3.34Å; R91-E262 PolarHBondContact NH1-OE2 3.31Å; R91-E262 IonicContact NH2-OE1 2.79Å; R91-E262 PolarHBondContact NH2-OE1 3.32Å; R91-E262 IonicContact NH2-OE2 2.74Å; R91-E262 PolarHBondContact NH2-OE2 3.5Å
92H97.6Very high97.9Very high15 Ų1555.6 Ų55.67%0.06929%0.29CS..SBendtrans-141.2137175.9-167.272.5000112.6H77 L86 C87 W94 K96 Y100H77-H92 AromaticContact CE1-CD2 3.87Å; H77-H92 AromaticContact CE1-CE1 3.58Å; H77-H92 AromaticContact CE1-CG 3.58Å; H77-H92 AromaticContact CE1-ND1 3.41Å; H77-H92 PolarHBondContact CE1-ND1 3.02Å; H77-H92 AromaticContact CE1-NE2 3.88Å; H77-H92 AromaticContact NE2-ND1 3.94Å; L86-H92 HydrophobicContact CB-CB 3.87Å; L86-H92 PolarHBondContact O-N 3.11Å; L86-H92 VanDerWaalsContact O-N 3.07Å; C87-H92 WeakPolarHBondContact CA-O 3.4Å; C87-H92 PolarHBondContact SG-O 2.6Å; H92-W94 PolarHBondContact O-N 2.71Å; H92-K96 VanDerWaalsContact NE2-CB 3.31Å; H92-K96 WeakPolarHBondContact NE2-CB 3.31Å; H92-Y100 AromaticContact CE1-CE1 3.83Å; H92-Y100 AromaticContact CE1-CE2 3.88Å; H92-Y100 AromaticContact CE1-CZ 3.56Å; H92-Y100 AromaticContact NE2-CE2 3.97Å; H92-Y100 AromaticContact NE2-CZ 3.97Å
93P98Very high97.9Very high71 Ų7157.1 Ų57.146%0.46130%0.295SS..  trans-66.6128.1-179.4-18.630.6000112.8M95 K96P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.14Å; P93-K96 HydrophobicContact CB-CG 4.23Å; P93-K96 HydrophobicContact CG-CD 4.21Å; P93-K96 HydrophobicContact CG-CG 4.47Å; P93-K96 WeakPolarHBondContact O-CB 3.12Å; P93-K96 PolarHBondContact O-N 2.91Å
94W98.3Very high97.9Very high140 Ų14057.1 Ų57.153%0.5330%0.295SS..G310 helixtrans-53.5-35.4178.5-75.696.2000114.3L84 C87 V88 H92 K96 L97L84-W94 HydrophobicContact CD1-CH2 4.02Å; L84-W94 HydrophobicContact CD1-CZ3 3.83Å; C87-W94 HydrophobicContact CB-CD2 3.73Å; C87-W94 HydrophobicContact CB-CE3 3.85Å; C87-W94 HydrophobicContact CB-CG 4.32Å; C87-W94 HydrophobicContact CB-CH2 4.02Å; C87-W94 HydrophobicContact CB-CZ2 3.89Å; C87-W94 HydrophobicContact CB-CZ3 4Å; C87-W94 PolarHBondContact O-NE1 3.36Å; V88-W94 HydrophobicContact CB-CZ2 4.48Å; V88-W94 HydrophobicContact CG2-CH2 3.61Å; V88-W94 HydrophobicContact CG2-CZ2 3.77Å; H92-W94 PolarHBondContact O-N 2.71Å; W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.17Å; W94-L97 HydrophobicContact CE3-CD2 4.05Å; W94-L97 HydrophobicContact CZ3-CD2 4.01Å; W94-L97 WeakPolarHBondContact O-CB 3.43Å; W94-L97 PolarHBondContact O-N 2.87Å
95M97.6Very high97.9Very high152 Ų15257.2 Ų57.275%0.74930%0.295SS*.G310 helixtrans-63.3-21.5178.9-67.8-56.5-62.500113.6P93 F99P93-M95 PolarHBondContact O-N 2.88Å; P93-M95 VanDerWaalsContact O-N 3.14Å; M95-F99 WeakPolarHBondContact O-CD2 3.3Å; M95-F99 WeakPolarHBondContact O-CE2 3.43Å
96K98.4Very high97.9Very high45 Ų4561.3 Ų61.320%0.19631%0.313CS..G310 helixtrans-86.3-24.6179.5-63.5-168.3176.4-175.70113.1L17 E20 H92 P93 W94 F99 Y100L17-K96 HydrophobicContact CD1-CB 4.18Å; L17-K96 HydrophobicContact CD1-CD 4.16Å; L17-K96 HydrophobicContact CD1-CG 3.87Å; E20-K96 IonicContact OE1-NZ 3.71Å; E20-K96 PolarHBondContact OE1-NZ 3.19Å; E20-K96 WeakPolarHBondContact OE2-CD 3.48Å; E20-K96 VanDerWaalsContact OE2-CE 3.32Å; E20-K96 WeakPolarHBondContact OE2-CE 3.47Å; E20-K96 IonicContact OE2-NZ 3.11Å; E20-K96 PolarHBondContact OE2-NZ 3.15Å; H92-K96 VanDerWaalsContact NE2-CB 3.31Å; H92-K96 WeakPolarHBondContact NE2-CB 3.31Å; P93-K96 HydrophobicContact CB-CG 4.23Å; P93-K96 HydrophobicContact CG-CD 4.21Å; P93-K96 HydrophobicContact CG-CG 4.47Å; P93-K96 WeakPolarHBondContact O-CB 3.12Å; P93-K96 PolarHBondContact O-N 2.91Å; W94-K96 PolarHBondContact O-N 3.32Å; W94-K96 VanDerWaalsContact O-N 3.17Å; K96-F99 PolarHBondContact O-N 3.45Å; K96-F99 VanDerWaalsContact O-N 3.09Å; K96-Y100 HydrophobicContact CB-CD2 4.11Å; K96-Y100 HydrophobicContact CB-CE2 4.23Å; K96-Y100 HydrophobicContact CD-CE2 4.26Å; K96-Y100 PolarHBondContact O-N 3.27Å
97L98.4Very high98Very high30 Ų3059.8 Ų59.816%0.15731%0.306CS..Hα-helixtrans-48.8-50.8-178.1175.963.4000114.4T83 L84 W94 F99 Y100 T101T83-L97 HydrophobicContact CG2-CB 4.49Å; T83-L97 HydrophobicContact CG2-CD1 3.49Å; T83-L97 VanDerWaalsContact CG2-CD1 3.49Å; L84-L97 HydrophobicContact CB-CD1 4.32Å; L84-L97 HydrophobicContact CD1-CD2 3.94Å; W94-L97 HydrophobicContact CE3-CD2 4.05Å; W94-L97 HydrophobicContact CZ3-CD2 4.01Å; W94-L97 WeakPolarHBondContact O-CB 3.43Å; W94-L97 PolarHBondContact O-N 2.87Å; L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.23Å; L97-Y100 PolarHBondContact O-N 3.32Å; L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 2.89Å
98P98.4Very high98Very high78 Ų7859.8 Ų59.851%0.50631%0.305SS..Hα-helixtrans-65.6-35.3-179.224-34000112.5F102P98-F102 WeakPolarHBondContact O-CB 3.36Å; P98-F102 PolarHBondContact O-N 2.96Å
99F98.6Very high98.1Very high99 Ų9958.4 Ų58.443%0.43429%0.294SS..Hα-helixtrans-71.6-45.3178.8-59.8-79000111.6L17 M95 K96 L97 T101 F102 F103L17-F99 HydrophobicContact CD1-CB 4.19Å; L17-F99 HydrophobicContact CD2-CD2 3.83Å; L17-F99 HydrophobicContact CD2-CE2 4.13Å; L17-F99 HydrophobicContact CD2-CG 4.06Å; M95-F99 WeakPolarHBondContact O-CD2 3.3Å; M95-F99 WeakPolarHBondContact O-CE2 3.43Å; K96-F99 PolarHBondContact O-N 3.45Å; K96-F99 VanDerWaalsContact O-N 3.09Å; L97-F99 VanDerWaalsContact C-N 3.32Å; L97-F99 PolarHBondContact O-N 3.23Å; F99-T101 VanDerWaalsContact C-N 3.34Å; F99-T101 PolarHBondContact O-N 2.83Å; F99-F102 PolarHBondContact O-N 3.42Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 2.95Å
100Y98.8Very high98.3Very high3 Ų359.3 Ų59.31%0.01230%0.299CS..Hα-helixtrans-56.9-49.9173.2-92.2-124.7000110.7L17 E20 E24 S74 H77 T83 H92 K96 L97 F102 F103 Q104L17-Y100 HydrophobicContact CD1-CD2 4.48Å; L17-Y100 HydrophobicContact CD1-CE2 4.34Å; E20-Y100 HydrophobicContact CB-CE2 3.79Å; E20-Y100 WeakPolarHBondContact CB-OH 3.43Å; E20-Y100 PolarHBondContact OE2-OH 3.09Å; E24-Y100 HydrophobicContact CG-CD1 3.49Å; E24-Y100 VanDerWaalsContact CG-CD1 3.49Å; E24-Y100 HydrophobicContact CG-CE1 3.53Å; E24-Y100 HydrophobicContact CG-CG 4.1Å; S74-Y100 PolarHBondContact O-OH 3.32Å; H77-Y100 HydrophobicContact CB-CD1 4.41Å; H77-Y100 AromaticContact CE1-CE1 3.91Å; H77-Y100 AromaticContact ND1-CD1 3.63Å; H77-Y100 AromaticContact ND1-CE1 3.69Å; T83-Y100 HydrophobicContact CG2-CD1 4.15Å; T83-Y100 HydrophobicContact CG2-CG 4.28Å; H92-Y100 AromaticContact CE1-CE1 3.83Å; H92-Y100 AromaticContact CE1-CE2 3.88Å; H92-Y100 AromaticContact CE1-CZ 3.56Å; H92-Y100 AromaticContact NE2-CE2 3.97Å; H92-Y100 AromaticContact NE2-CZ 3.97Å; K96-Y100 HydrophobicContact CB-CD2 4.11Å; K96-Y100 HydrophobicContact CB-CE2 4.23Å; K96-Y100 HydrophobicContact CD-CE2 4.26Å; K96-Y100 PolarHBondContact O-N 3.27Å; L97-Y100 PolarHBondContact O-N 3.32Å; Y100-F102 PolarHBondContact O-N 3.33Å; Y100-F103 PolarHBondContact O-N 3.31Å; Y100-Q104 WeakPolarHBondContact O-CB 3.27Å; Y100-Q104 VanDerWaalsContact O-CD 3.31Å; Y100-Q104 WeakPolarHBondContact O-CG 3.36Å; Y100-Q104 PolarHBondContact O-N 3.35Å
101T98.8Very high98.4Very high33 Ų3356.2 Ų56.220%0.20227%0.266CS..Hα-helixtrans-58.4-46.4-179.9-60.60000111.7P80 L97 F99 Q104 I105P80-T101 HydrophobicContact CB-CG2 4.03Å; P80-T101 HydrophobicContact CG-CG2 3.93Å; L97-T101 VanDerWaalsContact O-CB 3.31Å; L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 PolarHBondContact O-N 3.35Å; L97-T101 PolarHBondContact O-OG1 2.89Å; F99-T101 VanDerWaalsContact C-N 3.34Å; F99-T101 PolarHBondContact O-N 2.83Å; T101-Q104 PolarHBondContact O-N 3.5Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 VanDerWaalsContact O-CG1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.43Å; T101-I105 PolarHBondContact O-N 3.26Å
102F98.8Very high98.6Very high130 Ų13051.1 Ų51.157%0.5725%0.247SC*.Hα-helixtrans-60.3-48.9177.7176-94.6000112.1P98 F99 Y100 I105 F106P98-F102 WeakPolarHBondContact O-CB 3.36Å; P98-F102 PolarHBondContact O-N 2.96Å; F99-F102 PolarHBondContact O-N 3.42Å; Y100-F102 PolarHBondContact O-N 3.33Å; F102-I105 PolarHBondContact O-N 3.43Å; F102-F106 WeakPolarHBondContact O-CB 3.48Å; F102-F106 PolarHBondContact O-N 3.39Å
103F98.8Very high98.7Very high47 Ų4751.4 Ų51.421%0.20625%0.252CS..Hα-helixtrans-72.1-29.3-178.2-85.8-94.6000113.2C21 L22 C25 F99 Y100 G107C21-F103 HydrophobicContact CB-CB 4.06Å; C21-F103 HydrophobicContact CB-CD1 4Å; C21-F103 HydrophobicContact CB-CD2 3.52Å; C21-F103 HydrophobicContact CB-CE1 4.32Å; C21-F103 HydrophobicContact CB-CE2 3.88Å; C21-F103 HydrophobicContact CB-CG 3.59Å; C21-F103 HydrophobicContact CB-CZ 4.26Å; C21-F103 WeakPolarHBondContact O-CB 3.48Å; L22-F103 HydrophobicContact CD2-CE1 4.09Å; C25-F103 WeakPolarHBondContact CA-O 3.44Å; C25-F103 HydrophobicContact CB-CB 4.24Å; C25-F103 HydrophobicContact CB-CD1 4.01Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 2.95Å; Y100-F103 PolarHBondContact O-N 3.31Å; F103-G107 PolarHBondContact O-N 2.85Å
104Q98.9Very high98.7Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-63.5-49.5169.7-71.8160.6-3.200110.5E24 V28 P80 T83 Y100 T101 F106 G107 A108 A213E24-Q104 HydrophobicContact CB-CG 4.1Å; E24-Q104 PolarHBondContact OE2-NE2 3.44Å; V28-Q104 VanDerWaalsContact CG1-O 3.3Å; V28-Q104 WeakPolarHBondContact CG1-O 3.29Å; V28-Q104 HydrophobicContact CG2-CB 3.92Å; V28-Q104 HydrophobicContact CG2-CG 3.87Å; P80-Q104 VanDerWaalsContact CG-OE1 3.28Å; P80-Q104 VanDerWaalsContact N-OE1 3.08Å; T83-Q104 PolarHBondContact OG1-NE2 3.26Å; T83-Q104 VanDerWaalsContact OG1-NE2 3.07Å; Y100-Q104 WeakPolarHBondContact O-CB 3.27Å; Y100-Q104 VanDerWaalsContact O-CD 3.31Å; Y100-Q104 WeakPolarHBondContact O-CG 3.36Å; Y100-Q104 PolarHBondContact O-N 3.35Å; T101-Q104 PolarHBondContact O-N 3.5Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 2.69Å; Q104-G107 PolarHBondContact O-N 3.08Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.92Å; Q104-A213 HydrophobicContact CB-CB 3.74Å
105I98.9Very high98.7Very high39 Ų3943.5 Ų43.520%0.222%0.218CC..Hα-helixtrans-60.5-43.3176.2-69.4165.8000110.7T101 F102 A108 F109 A213 F216T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 VanDerWaalsContact O-CG1 3.3Å; T101-I105 WeakPolarHBondContact O-CG1 3.43Å; T101-I105 PolarHBondContact O-N 3.26Å; F102-I105 PolarHBondContact O-N 3.43Å; I105-A108 WeakPolarHBondContact O-CB 3.37Å; I105-A108 PolarHBondContact O-N 3.07Å; I105-F109 WeakPolarHBondContact O-CB 3.46Å; I105-F109 PolarHBondContact O-N 2.91Å; I105-A213 HydrophobicContact CG1-CB 3.92Å; I105-F216 HydrophobicContact CD1-CD1 4.24Å; I105-F216 HydrophobicContact CG2-CD1 3.96Å; I105-F216 HydrophobicContact CG2-CE1 4.49Å
106F98.9Very high98.8Very high87 Ų8736.7 Ų36.738%0.38219%0.186SC..Hα-helixtrans-63.9-43.7178.5-174.1-115.7000112F102 Q104 A108 F109 L110F102-F106 WeakPolarHBondContact O-CB 3.48Å; F102-F106 PolarHBondContact O-N 3.39Å; Q104-F106 VanDerWaalsContact C-N 3.32Å; Q104-F106 PolarHBondContact O-N 2.69Å; F106-A108 VanDerWaalsContact C-N 3.31Å; F106-A108 PolarHBondContact O-N 2.93Å; F106-F109 WeakPolarHBondContact O-CB 3.35Å; F106-F109 PolarHBondContact O-N 3.21Å; F106-L110 HydrophobicContact CD1-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CD1 3.54Å; F106-L110 HydrophobicContact CE1-CG 4.23Å; F106-L110 HydrophobicContact CE2-CD2 4.42Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CZ-CD1 3.82Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 4.12Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.08Å
107G98.9Very high98.8Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-59.7-41.3173.100000112.5C25 Y29 F103 Q104 L110 G111C25-G107 WeakPolarHBondContact O-CA 3.41Å; C25-G107 VanDerWaalsContact SG-CA 3.52Å; Y29-G107 WeakPolarHBondContact CA-O 3.26Å; F103-G107 PolarHBondContact O-N 2.85Å; Q104-G107 PolarHBondContact O-N 3.08Å; G107-L110 PolarHBondContact O-N 3.18Å; G107-G111 PolarHBondContact O-N 3.39Å
108A98.9Very high98.8Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-65.7-42.817700000112.6V28 I32 Q104 I105 F106 G111 A112 A213 P218V28-A108 HydrophobicContact CG1-CB 3.61Å; I32-A108 HydrophobicContact CD1-CB 4.47Å; I32-A108 HydrophobicContact CG1-CB 3.77Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.92Å; I105-A108 WeakPolarHBondContact O-CB 3.37Å; I105-A108 PolarHBondContact O-N 3.07Å; F106-A108 VanDerWaalsContact C-N 3.31Å; F106-A108 PolarHBondContact O-N 2.93Å; A108-G111 PolarHBondContact O-N 3.35Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 2.81Å; A108-A213 WeakPolarHBondContact CB-O 3.37Å; A108-P218 HydrophobicContact CB-CG 4.35Å
109F98.9Very high98.8Very high42 Ų4245.2 Ų45.218%0.18422%0.221CC..Hα-helixtrans-59.1-47.2173.8172.8-86.1000111.6I105 F106 G111 A112 A113 F220 F221 I224I105-F109 WeakPolarHBondContact O-CB 3.46Å; I105-F109 PolarHBondContact O-N 2.91Å; F106-F109 WeakPolarHBondContact O-CB 3.35Å; F106-F109 PolarHBondContact O-N 3.21Å; F109-G111 PolarHBondContact O-N 3.46Å; F109-A112 PolarHBondContact O-N 3.01Å; F109-A113 WeakPolarHBondContact O-CB 3.29Å; F109-A113 PolarHBondContact O-N 3.49Å; F109-F220 AromaticContact CD2-CD1 3.9Å; F109-F220 HydrophobicContact CD2-CD1 3.9Å; F109-F220 AromaticContact CE2-CD1 3.85Å; F109-F220 HydrophobicContact CE2-CD1 3.85Å; F109-F220 HydrophobicContact CE2-CE1 4.36Å; F109-F221 HydrophobicContact CD2-CB 3.73Å; F109-F221 HydrophobicContact CE2-CB 3.86Å; F109-F221 HydrophobicContact CE2-CD2 4.44Å; F109-I224 HydrophobicContact CE2-CD1 3.51Å; F109-I224 HydrophobicContact CE2-CG1 4.27Å; F109-I224 HydrophobicContact CZ-CD1 3.44Å; F109-I224 VanDerWaalsContact CZ-CD1 3.44Å
110L98.9Very high98.8Very high63 Ų6347 Ų4733%0.3323%0.226SC..Hα-helixtrans-64.1-40.7177.7-69.7179.9000111.9Y29 F106 G107 A112 A113 T114Y29-L110 HydrophobicContact CD2-CB 3.96Å; Y29-L110 HydrophobicContact CE2-CB 4.36Å; F106-L110 HydrophobicContact CD1-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CD1 3.54Å; F106-L110 HydrophobicContact CE1-CG 4.23Å; F106-L110 HydrophobicContact CE2-CD2 4.42Å; F106-L110 HydrophobicContact CE2-CG 4.35Å; F106-L110 HydrophobicContact CZ-CD1 3.82Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 HydrophobicContact CZ-CG 4.12Å; F106-L110 WeakPolarHBondContact O-CG 3.24Å; F106-L110 PolarHBondContact O-N 3.08Å; G107-L110 PolarHBondContact O-N 3.18Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.48Å; L110-A113 PolarHBondContact O-N 2.95Å; L110-T114 PolarHBondContact O-N 3.35Å; L110-T114 PolarHBondContact O-OG1 3.27Å; L110-T114 VanDerWaalsContact O-OG1 3.13Å
111G98.9Very high98.8Very high0 Ų052.9 Ų52.90%026%0.257CS..Hα-helixtrans-60.7-44.1175.800000111.8G107 A108 F109 T114 V115G107-G111 PolarHBondContact O-N 3.39Å; A108-G111 PolarHBondContact O-N 3.35Å; F109-G111 PolarHBondContact O-N 3.46Å; G111-T114 PolarHBondContact O-N 3.35Å; G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å
112A98.9Very high98.8Very high0 Ų052.9 Ų52.90%026%0.261CS..Hα-helixtrans-63.9-43.9175.900000112.1I32 A108 F109 L110 T114 V115 G116 F143 P218 F221I32-A112 HydrophobicContact CG2-CB 4.24Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 2.81Å; F109-A112 PolarHBondContact O-N 3.01Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3.48Å; A112-T114 VanDerWaalsContact C-N 3.34Å; A112-T114 PolarHBondContact O-N 3.35Å; A112-V115 PolarHBondContact O-N 3.44Å; A112-G116 PolarHBondContact O-N 2.99Å; A112-F143 HydrophobicContact CB-CD1 3.88Å; A112-F143 WeakPolarHBondContact O-CE1 3.36Å; A112-P218 HydrophobicContact CB-CB 3.65Å; A112-P218 HydrophobicContact CB-CG 3.97Å; A112-F221 HydrophobicContact CB-CB 4.07Å; A112-F221 HydrophobicContact CB-CD1 3.79Å; A112-F221 HydrophobicContact CB-CG 4.05Å
113A98.9Very high98.8Very high20 Ų2046.9 Ų46.917%0.16524%0.235CC..Hα-helixtrans-60.3-43.3175.900000111.8F109 L110 G116 L117 F221F109-A113 WeakPolarHBondContact O-CB 3.29Å; F109-A113 PolarHBondContact O-N 3.49Å; L110-A113 PolarHBondContact O-N 2.95Å; A113-G116 PolarHBondContact O-N 3.2Å; A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 2.98Å; A113-F221 HydrophobicContact CB-CD2 3.81Å; A113-F221 HydrophobicContact CB-CE2 3.77Å; A113-F221 HydrophobicContact CB-CZ 4.49Å
114T98.9Very high98.8Very high44 Ų4447.1 Ų47.127%0.2724%0.238SC..Hα-helixtrans-60.7-46174.6-60.90000111.6Y29 L33 L110 G111 A112 G116 L117 Q118Y29-T114 WeakPolarHBondContact CE2-OG1 3.45Å; Y29-T114 WeakPolarHBondContact OH-CG2 3.49Å; Y29-T114 PolarHBondContact OH-OG1 3Å; L33-T114 HydrophobicContact CD1-CG2 3.8Å; L110-T114 PolarHBondContact O-N 3.35Å; L110-T114 PolarHBondContact O-OG1 3.27Å; L110-T114 VanDerWaalsContact O-OG1 3.13Å; G111-T114 PolarHBondContact O-N 3.35Å; A112-T114 VanDerWaalsContact C-N 3.34Å; A112-T114 PolarHBondContact O-N 3.35Å; T114-G116 VanDerWaalsContact C-N 3.35Å; T114-G116 PolarHBondContact O-N 2.71Å; T114-L117 PolarHBondContact O-N 3.36Å; T114-Q118 VanDerWaalsContact O-CB 3.25Å; T114-Q118 WeakPolarHBondContact O-CB 3.46Å; T114-Q118 PolarHBondContact O-N 2.94Å
115V98.9Very high98.8Very high2 Ų252 Ų521%0.01227%0.272CS..Hα-helixtrans-63.3-42.1177.7171.80000111L33 C36 A40 G111 A112 L117 Q118 Y119 I142 F143L33-V115 HydrophobicContact CD1-CG2 4.13Å; C36-V115 HydrophobicContact CB-CB 4.48Å; C36-V115 HydrophobicContact CB-CG1 4.23Å; C36-V115 HydrophobicContact CB-CG2 4.2Å; A40-V115 HydrophobicContact CB-CG1 3.99Å; G111-V115 WeakPolarHBondContact O-CG2 3.41Å; G111-V115 PolarHBondContact O-N 2.95Å; A112-V115 PolarHBondContact O-N 3.44Å; V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 PolarHBondContact O-N 3.17Å; V115-Q118 PolarHBondContact O-N 3.45Å; V115-Y119 HydrophobicContact CG1-CD2 4.14Å; V115-Y119 WeakPolarHBondContact O-CB 3.33Å; V115-Y119 PolarHBondContact O-N 3.38Å; V115-I142 HydrophobicContact CG1-CG2 4.42Å; V115-F143 HydrophobicContact CB-CE1 4.23Å; V115-F143 HydrophobicContact CG1-CE1 4.06Å
116G98.7Very high98.8Very high8 Ų852.6 Ų52.68%0.08227%0.272CS..Hα-helixtrans-61.2-38.417700000112.8A112 A113 T114 Y120A112-G116 PolarHBondContact O-N 2.99Å; A113-G116 PolarHBondContact O-N 3.2Å; T114-G116 VanDerWaalsContact C-N 3.35Å; T114-G116 PolarHBondContact O-N 2.71Å; G116-Y120 VanDerWaalsContact O-CA 3.29Å; G116-Y120 WeakPolarHBondContact O-CA 3.5Å; G116-Y120 WeakPolarHBondContact O-CB 3.36Å; G116-Y120 PolarHBondContact O-N 3.32Å; G116-Y120 VanDerWaalsContact O-N 3.09Å
117L98.7Very high98.7Very high136 Ų13648.7 Ų48.771%0.71226%0.256SS*.Hα-helixtrans-70.4-46.1172.8-69.6171.7000111.8A113 T114 V115 Y119 Y120A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 2.98Å; T114-L117 PolarHBondContact O-N 3.36Å; V115-L117 VanDerWaalsContact C-N 3.31Å; V115-L117 PolarHBondContact O-N 3.17Å; L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 PolarHBondContact O-N 3Å; L117-Y120 WeakPolarHBondContact O-CB 3.45Å; L117-Y120 PolarHBondContact O-N 3.01Å
118Q98.7Very high98.7Very high149 Ų14952 Ų5270%0.69629%0.29SS*.Hα-helixtrans-61.8-35.6-178.4-178.36534.600112.5T114 V115T114-Q118 VanDerWaalsContact O-CB 3.25Å; T114-Q118 WeakPolarHBondContact O-CB 3.46Å; T114-Q118 PolarHBondContact O-N 2.94Å; V115-Q118 PolarHBondContact O-N 3.45Å
119Y98.7Very high98.5Very high48 Ų4854.2 Ų54.219%0.18831%0.313CS..THydrogen-bonded Turntrans-106.414.5-179-77-96.2000113.2A40 Q41 V115 L117 D121 A122 I123A40-Y119 HydrophobicContact CB-CD1 3.76Å; A40-Y119 HydrophobicContact CB-CD2 3.78Å; A40-Y119 HydrophobicContact CB-CE1 4.06Å; A40-Y119 HydrophobicContact CB-CE2 4.07Å; A40-Y119 HydrophobicContact CB-CG 3.63Å; Q41-Y119 HydrophobicContact CB-CE1 4.19Å; V115-Y119 HydrophobicContact CG1-CD2 4.14Å; V115-Y119 WeakPolarHBondContact O-CB 3.33Å; V115-Y119 PolarHBondContact O-N 3.38Å; L117-Y119 VanDerWaalsContact C-N 3.28Å; L117-Y119 PolarHBondContact O-N 3Å; Y119-D121 PolarHBondContact O-N 3.17Å; Y119-A122 HydrophobicContact CD1-CB 4.17Å; Y119-A122 PolarHBondContact O-N 3.14Å; Y119-A122 VanDerWaalsContact O-N 3.08Å; Y119-I123 WeakPolarHBondContact O-CB 3.27Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 3.41Å
120Y98.6Very high98.5Very high137 Ų13758.7 Ų58.754%0.53733%0.334SS..Hα-helixtrans-51.4-54.6-173.3-178-99.5000112.9G116 L117 A122 I123 L124G116-Y120 VanDerWaalsContact O-CA 3.29Å; G116-Y120 WeakPolarHBondContact O-CA 3.5Å; G116-Y120 WeakPolarHBondContact O-CB 3.36Å; G116-Y120 PolarHBondContact O-N 3.32Å; G116-Y120 VanDerWaalsContact O-N 3.09Å; L117-Y120 WeakPolarHBondContact O-CB 3.45Å; L117-Y120 PolarHBondContact O-N 3.01Å; Y120-A122 VanDerWaalsContact C-N 3.32Å; Y120-A122 PolarHBondContact O-N 3.38Å; Y120-I123 PolarHBondContact O-N 3.08Å; Y120-L124 HydrophobicContact CD1-CD1 4.02Å; Y120-L124 HydrophobicContact CE1-CD1 3.39Å; Y120-L124 HydrophobicContact CE1-CG 4.39Å; Y120-L124 HydrophobicContact CE2-CD1 4.08Å; Y120-L124 VanDerWaalsContact CZ-CD1 3.43Å; Y120-L124 WeakPolarHBondContact O-CG 3.47Å; Y120-L124 PolarHBondContact O-N 2.92Å
121D98.6Very high98.4Very high125 Ų12557.9 Ų57.967%0.66833%0.33SS*.Hα-helixtrans-64.5-37.2-179.7-64.5-28.9000112.2Y119 S125Y119-D121 PolarHBondContact O-N 3.17Å; D121-S125 WeakPolarHBondContact O-CB 3.32Å; D121-S125 PolarHBondContact O-N 3.12Å
122A98.7Very high98.4Very high33 Ų3359.8 Ų59.827%0.27334%0.342SS..Hα-helixtrans-68.8-40.5179.200000111.7T44 Y119 Y120 Y126T44-A122 HydrophobicContact CG2-CB 4.05Å; Y119-A122 HydrophobicContact CD1-CB 4.17Å; Y119-A122 PolarHBondContact O-N 3.14Å; Y119-A122 VanDerWaalsContact O-N 3.08Å; Y120-A122 VanDerWaalsContact C-N 3.32Å; Y120-A122 PolarHBondContact O-N 3.38Å; A122-Y126 VanDerWaalsContact O-CB 3.23Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.03Å
123I98.8Very high98.3Very high5 Ų560.3 Ų60.33%0.02635%0.345CS..Hα-helixtrans-64.1-47.8175.8-72.2168.6000109.8T44 Y119 Y120 Y126 S127 L131 T139 I142 F143 W227T44-I123 HydrophobicContact CG2-CG1 4Å; Y119-I123 WeakPolarHBondContact O-CB 3.27Å; Y119-I123 WeakPolarHBondContact O-CG1 3.49Å; Y119-I123 PolarHBondContact O-N 3.41Å; Y120-I123 PolarHBondContact O-N 3.08Å; I123-Y126 PolarHBondContact O-N 3.27Å; I123-S127 VanDerWaalsContact O-CB 3.23Å; I123-S127 WeakPolarHBondContact O-CB 3.35Å; I123-S127 PolarHBondContact O-N 3.22Å; I123-S127 PolarHBondContact O-OG 3.04Å; I123-L131 HydrophobicContact CG2-CD2 3.84Å; I123-T139 HydrophobicContact CG2-CG2 4.13Å; I123-I142 HydrophobicContact CD1-CD1 4.28Å; I123-I142 HydrophobicContact CG1-CD1 4Å; I123-F143 HydrophobicContact CD1-CE2 4.29Å; I123-F143 HydrophobicContact CD1-CZ 3.96Å; I123-W227 HydrophobicContact CG2-CH2 4.42Å; I123-W227 HydrophobicContact CG2-CZ2 4.2Å
124L98.6Very high98.2Very high51 Ų5164.1 Ų64.127%0.26737%0.366SS..Hα-helixtrans-66.2-41.7179.1-68.7-175.6000112.3Y120 S127 G128 G129 L131Y120-L124 HydrophobicContact CD1-CD1 4.02Å; Y120-L124 HydrophobicContact CE1-CD1 3.39Å; Y120-L124 HydrophobicContact CE1-CG 4.39Å; Y120-L124 HydrophobicContact CE2-CD1 4.08Å; Y120-L124 VanDerWaalsContact CZ-CD1 3.43Å; Y120-L124 WeakPolarHBondContact O-CG 3.47Å; Y120-L124 PolarHBondContact O-N 2.92Å; L124-S127 PolarHBondContact O-N 3.44Å; L124-S127 PolarHBondContact O-OG 3.29Å; L124-G128 PolarHBondContact O-N 3.02Å; L124-G129 PolarHBondContact O-N 3.2Å; L124-L131 HydrophobicContact CD2-CD2 4.12Å
125S98.6Very high98Very high104 Ų10464.9 Ų64.973%0.72738%0.383SS*.Hα-helixtrans-62-47.3176.6-177.20000111.8D121D121-S125 WeakPolarHBondContact O-CB 3.32Å; D121-S125 PolarHBondContact O-N 3.12Å
126Y98.4Very high97.8Very high50 Ų5073.9 Ų73.920%0.19643%0.425CS..Hα-helixtrans-64.5-41177.9171.2-103.4000112.8T43 Q46 A122 I123 Q136 T139T43-Y126 HydrophobicContact CG2-CD1 4.24Å; T43-Y126 HydrophobicContact CG2-CE1 3.66Å; T43-Y126 WeakPolarHBondContact O-CE2 3.48Å; Q46-Y126 HydrophobicContact CG-CD2 4Å; Q46-Y126 HydrophobicContact CG-CE2 3.82Å; A122-Y126 VanDerWaalsContact O-CB 3.23Å; A122-Y126 WeakPolarHBondContact O-CB 3.43Å; A122-Y126 PolarHBondContact O-N 3.03Å; I123-Y126 PolarHBondContact O-N 3.27Å; Y126-Q136 PolarHBondContact OH-O 3.22Å; Y126-Q136 VanDerWaalsContact OH-O 3.08Å; Y126-T139 HydrophobicContact CD1-CG2 3.61Å; Y126-T139 HydrophobicContact CE1-CG2 3.89Å
127S97.9Very high97.7Very high6 Ų676.2 Ų76.24%0.04244%0.437CS..Hα-helixtrans-86.6-4.3-175.364.10000114.9I123 L124 G129 Q130I123-S127 VanDerWaalsContact O-CB 3.23Å; I123-S127 WeakPolarHBondContact O-CB 3.35Å; I123-S127 PolarHBondContact O-N 3.22Å; I123-S127 PolarHBondContact O-OG 3.04Å; L124-S127 PolarHBondContact O-N 3.44Å; L124-S127 PolarHBondContact O-OG 3.29Å; S127-G129 PolarHBondContact O-N 3.46Å; S127-Q130 VanDerWaalsContact CB-O 3.24Å; S127-Q130 WeakPolarHBondContact CB-O 3.47Å; S127-Q130 PolarHBondContact O-N 2.87Å
128G97.5Very high97.7Very high69 Ų6970.8 Ų70.871%0.71141%0.412SS*.THydrogen-bonded Turntrans63.627.5-171.400000112.9L124 Q130L124-G128 PolarHBondContact O-N 3.02Å; G128-Q130 VanDerWaalsContact C-N 3.34Å
129G96.6Very high97.7Very high47 Ų4763.7 Ų63.749%0.48538%0.379SS..THydrogen-bonded Turntrans81.23.5-177.300000115.4L124 S127L124-G129 PolarHBondContact O-N 3.2Å; S127-G129 PolarHBondContact O-N 3.46Å
130Q97.3Very high97.7Very high135 Ų13561.4 Ų61.463%0.63137%0.37SS*.  trans-105.1112-178.4-64.5-169.2-0.800112.4S127 G128 T132S127-Q130 VanDerWaalsContact CB-O 3.24Å; S127-Q130 WeakPolarHBondContact CB-O 3.47Å; S127-Q130 PolarHBondContact O-N 2.87Å; G128-Q130 VanDerWaalsContact C-N 3.34Å; Q130-T132 HydrophobicContact CB-CG2 4.24Å; Q130-T132 PolarHBondContact O-N 2.83Å; Q130-T132 VanDerWaalsContact O-N 3.12Å
131L98.3Very high97.7Very high47 Ų4756.7 Ų56.725%0.24636%0.364CS..  trans-8391.7179.8-56.5-175.3000110.6I123 L124 W227I123-L131 HydrophobicContact CG2-CD2 3.84Å; L124-L131 HydrophobicContact CD2-CD2 4.12Å; L131-W227 VanDerWaalsContact C-CD1 3.44Å; L131-W227 HydrophobicContact CB-CD2 3.78Å; L131-W227 HydrophobicContact CB-CE3 4.25Å; L131-W227 HydrophobicContact CB-CG 4.01Å; L131-W227 HydrophobicContact CB-CZ2 4.19Å; L131-W227 HydrophobicContact CD1-CD2 4.31Å; L131-W227 HydrophobicContact CD1-CE3 3.94Å; L131-W227 HydrophobicContact CD1-CH2 3.98Å; L131-W227 HydrophobicContact CD1-CZ2 4.34Å; L131-W227 HydrophobicContact CD1-CZ3 3.75Å; L131-W227 HydrophobicContact CD2-CH2 3.91Å; L131-W227 HydrophobicContact CD2-CZ2 3.69Å; L131-W227 HydrophobicContact CG-CD2 4.49Å; L131-W227 HydrophobicContact CG-CH2 4.38Å; L131-W227 HydrophobicContact CG-CZ2 4.27Å
132T98.1Very high97.7Very high40 Ų4050.8 Ų50.825%0.24533%0.332CS..  trans-112.8154.2-175.860.60000113.2Q130 A138 T139 A140 W227Q130-T132 HydrophobicContact CB-CG2 4.24Å; Q130-T132 PolarHBondContact O-N 2.83Å; Q130-T132 VanDerWaalsContact O-N 3.12Å; T132-A138 WeakPolarHBondContact OG1-CA 3.38Å; T132-T139 PolarHBondContact O-N 2.95Å; T132-A140 PolarHBondContact O-N 3Å; T132-W227 VanDerWaalsContact O-CD1 3.29Å; T132-W227 PolarHBondContact O-NE1 3.33Å
133V97.9Very high97.7Very high11 Ų1149.2 Ų49.27%0.06732%0.319CS..SBendtrans-90.8-34.2-179.3-177.10000112.3A140 Y146 W227 D230 V231 A234V133-A140 HydrophobicContact CB-CB 4.17Å; V133-A140 HydrophobicContact CG1-CB 4.12Å; V133-A140 HydrophobicContact CG2-CB 3.98Å; V133-Y146 HydrophobicContact CG1-CD1 3.96Å; V133-Y146 HydrophobicContact CG1-CE1 3.34Å; V133-Y146 HydrophobicContact CG1-CE2 4.24Å; V133-W227 HydrophobicContact CG2-CB 4.3Å; V133-D230 HydrophobicContact CB-CB 4.16Å; V133-D230 HydrophobicContact CG2-CB 3.7Å; V133-V231 HydrophobicContact CG2-CG1 3.71Å; V133-A234 HydrophobicContact CG1-CB 3.55Å
134T95.7Very high97.7Very high100 Ų10049 Ų4961%0.61332%0.318SS*.SBendtrans-130.9155.4-179.356.70000110.4A234T134-A234 HydrophobicContact CG2-CB 4.3Å
135G94.9Very high97.7Very high60 Ų6047 Ų4762%0.61931%0.308SS*.SBendtrans113.7174-177.700000112.5T137 A138G135-T137 PolarHBondContact O-N 3.1Å; G135-A138 VanDerWaalsContact O-CB 3.28Å; G135-A138 WeakPolarHBondContact O-CB 3.2Å; G135-A138 PolarHBondContact O-N 2.88Å
136Q94.5Very high97.6Very high190 Ų19044 Ų4489%0.88828%0.281SS*.THydrogen-bonded Turntrans-64.9-27.4-171.2-67.6-179.3-6.200114Y126Y126-Q136 PolarHBondContact OH-O 3.22Å; Y126-Q136 VanDerWaalsContact OH-O 3.08Å
137T97.1Very high97.6Very high57 Ų5742.7 Ų42.735%0.3528%0.278SS..THydrogen-bonded Turntrans-112.421-179.956.40000112.1G135G135-T137 PolarHBondContact O-N 3.1Å
138A98Very high97.6Very high22 Ų2243.7 Ų43.718%0.18229%0.287CS..  trans-62.8139179.300000111.7T132 G135T132-A138 WeakPolarHBondContact OG1-CA 3.38Å; G135-A138 VanDerWaalsContact O-CB 3.28Å; G135-A138 WeakPolarHBondContact O-CB 3.2Å; G135-A138 PolarHBondContact O-N 2.88Å
139T98.7Very high97.5Very high0 Ų050.2 Ų50.20%030%0.299CS..  trans-123.6-10.5-173.4470000113.3I123 Y126 T132 G141 I142 W227I123-T139 HydrophobicContact CG2-CG2 4.13Å; Y126-T139 HydrophobicContact CD1-CG2 3.61Å; Y126-T139 HydrophobicContact CE1-CG2 3.89Å; T132-T139 PolarHBondContact O-N 2.95Å; T139-G141 PolarHBondContact O-N 3.42Å; T139-I142 HydrophobicContact CG2-CD1 4.25Å; T139-I142 VanDerWaalsContact O-CB 3.27Å; T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 WeakPolarHBondContact O-CG1 3.34Å; T139-I142 PolarHBondContact O-N 3.14Å; T139-I142 VanDerWaalsContact O-N 3.08Å; T139-W227 WeakPolarHBondContact OG1-CZ2 3.38Å; T139-W227 PolarHBondContact OG1-NE1 2.88Å
140A98.5Very high97.4Very high0 Ų055.3 Ų55.30%031%0.305CS..G310 helixtrans-61.1-29.3177.300000112.7T132 V133 I142 F143 S144 Y146 W227T132-A140 PolarHBondContact O-N 3Å; V133-A140 HydrophobicContact CB-CB 4.17Å; V133-A140 HydrophobicContact CG1-CB 4.12Å; V133-A140 HydrophobicContact CG2-CB 3.98Å; A140-I142 PolarHBondContact O-N 3.17Å; A140-F143 PolarHBondContact O-N 3.22Å; A140-F143 VanDerWaalsContact O-N 3.08Å; A140-S144 PolarHBondContact O-N 3.09Å; A140-Y146 HydrophobicContact CB-CE2 3.73Å; A140-W227 HydrophobicContact CB-CG 4.26Å
141G98.3Very high97.5Very high39 Ų3949.6 Ų49.640%0.40228%0.278SS..G310 helixtrans-63.1-14.7176.600000114.6T139 F143 S144T139-G141 PolarHBondContact O-N 3.42Å; G141-F143 PolarHBondContact O-N 2.91Å; G141-S144 WeakPolarHBondContact CA-O 3.38Å
142I98.8Very high97.4Very high1 Ų150.3 Ų50.31%0.00529%0.287CS..G310 helixtrans-61.5-37.3171-66.8170.5000110.9C36 V39 A40 T43 T44 V115 I123 T139 A140C36-I142 WeakPolarHBondContact CB-O 3.22Å; C36-I142 PolarHBondContact SG-O 2.99Å; V39-I142 HydrophobicContact CG1-CB 4.46Å; V39-I142 HydrophobicContact CG1-CG1 4.39Å; A40-I142 HydrophobicContact CB-CD1 4.41Å; A40-I142 HydrophobicContact CB-CG2 3.62Å; T43-I142 HydrophobicContact CG2-CD1 4.18Å; T43-I142 HydrophobicContact CG2-CG1 4.19Å; T44-I142 HydrophobicContact CG2-CD1 4.37Å; V115-I142 HydrophobicContact CG1-CG2 4.42Å; I123-I142 HydrophobicContact CD1-CD1 4.28Å; I123-I142 HydrophobicContact CG1-CD1 4Å; T139-I142 HydrophobicContact CG2-CD1 4.25Å; T139-I142 VanDerWaalsContact O-CB 3.27Å; T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 WeakPolarHBondContact O-CG1 3.34Å; T139-I142 PolarHBondContact O-N 3.14Å; T139-I142 VanDerWaalsContact O-N 3.08Å; A140-I142 PolarHBondContact O-N 3.17Å
143F98.8Very high97.4Very high0 Ų050.6 Ų50.60%029%0.287CS..THydrogen-bonded Turntrans-100.9-47.9-167.2-60-75.3000111.7C36 A112 V115 I123 A140 G141 R214 P218 F221 T222 W227C36-F143 PolarHBondContact SG-O 3.02Å; A112-F143 HydrophobicContact CB-CD1 3.88Å; A112-F143 WeakPolarHBondContact O-CE1 3.36Å; V115-F143 HydrophobicContact CB-CE1 4.23Å; V115-F143 HydrophobicContact CG1-CE1 4.06Å; I123-F143 HydrophobicContact CD1-CE2 4.29Å; I123-F143 HydrophobicContact CD1-CZ 3.96Å; A140-F143 PolarHBondContact O-N 3.22Å; A140-F143 VanDerWaalsContact O-N 3.08Å; G141-F143 PolarHBondContact O-N 2.91Å; F143-R214 PolarHBondContact O-NH1 3.37Å; F143-P218 HydrophobicContact CB-CB 3.8Å; F143-P218 VanDerWaalsContact O-CB 3.23Å; F143-P218 WeakPolarHBondContact O-CB 3.22Å; F143-F221 HydrophobicContact CD1-CD1 4.08Å; F143-F221 HydrophobicContact CD1-CE1 4.1Å; F143-F221 HydrophobicContact CE1-CD1 4.21Å; F143-F221 AromaticContact CE1-CE1 3.76Å; F143-F221 HydrophobicContact CE1-CE1 3.76Å; F143-F221 HydrophobicContact CE2-CE1 4.4Å; F143-F221 HydrophobicContact CG-CD1 4.41Å; F143-F221 AromaticContact CZ-CE1 3.92Å; F143-F221 HydrophobicContact CZ-CE1 3.92Å; F143-T222 HydrophobicContact CB-CG2 3.66Å; F143-T222 HydrophobicContact CD2-CG2 3.27Å; F143-T222 HydrophobicContact CE2-CG2 4.06Å; F143-T222 HydrophobicContact CG-CG2 3.6Å; F143-W227 AromaticContact CE2-CH2 3.85Å; F143-W227 HydrophobicContact CE2-CH2 3.85Å; F143-W227 AromaticContact CE2-CZ2 3.97Å; F143-W227 HydrophobicContact CE2-CZ2 3.97Å
144S98.4Very high97.4Very high1 Ų152.7 Ų52.71%0.00731%0.311CS..SBendtrans-127.6161.4-175.3-61.60000111.9A140 G141 Y146 D215 R219A140-S144 PolarHBondContact O-N 3.09Å; G141-S144 WeakPolarHBondContact CA-O 3.38Å; S144-Y146 WeakPolarHBondContact O-CD2 3.36Å; S144-D215 PolarHBondContact OG-O 2.79Å; S144-R219 WeakPolarHBondContact OG-CA 3.16Å; S144-R219 VanDerWaalsContact OG-CB 3.29Å; S144-R219 WeakPolarHBondContact OG-CB 3.42Å; S144-R219 PolarHBondContact OG-N 2.85Å
145T98.6Very high97.5Very high7 Ų749.2 Ų49.24%0.04330%0.295CS..  trans-79.9145.2-179.664.90000111.5S206 A209 D215 R219 W238T145-S206 WeakPolarHBondContact CB-O 3.38Å; T145-A209 HydrophobicContact CG2-CB 3.73Å; T145-D215 WeakPolarHBondContact CB-OD2 3.35Å; T145-D215 PolarHBondContact N-OD2 3.39Å; T145-D215 PolarHBondContact OG1-OD2 3.37Å; T145-R219 PolarHBondContact O-NH2 3.41Å; T145-W238 PolarHBondContact O-NE1 3.47Å; T145-W238 PolarHBondContact OG1-NE1 2.98Å
146Y98.4Very high97.7Very high42 Ų4246.3 Ų46.317%0.16527%0.265CS..  trans-134.5143.3169.6-64.2-86.6000107.6V133 A140 S144 R219 V231 A234V133-Y146 HydrophobicContact CG1-CD1 3.96Å; V133-Y146 HydrophobicContact CG1-CE1 3.34Å; V133-Y146 HydrophobicContact CG1-CE2 4.24Å; A140-Y146 HydrophobicContact CB-CE2 3.73Å; S144-Y146 WeakPolarHBondContact O-CD2 3.36Å; Y146-R219 PolarHBondContact OH-NH1 3.29Å; Y146-V231 WeakPolarHBondContact OH-CA 3.28Å; Y146-V231 WeakPolarHBondContact OH-CB 3.24Å; Y146-A234 HydrophobicContact CD1-CB 3.86Å; Y146-A234 HydrophobicContact CE1-CB 3.89Å
147P97.9Very high97.9Very high22 Ų2239.8 Ų39.814%0.14323%0.234CC..  trans-73.7149.4-175.831.7-32.4000109.9L151 W238P147-L151 HydrophobicContact CB-CB 4.38Å; P147-L151 HydrophobicContact CB-CD2 3.97Å; P147-W238 HydrophobicContact CB-CD2 4.11Å; P147-W238 HydrophobicContact CB-CE3 3.94Å; P147-W238 HydrophobicContact CB-CZ3 4.14Å; P147-W238 VanDerWaalsContact CD-CG 3.47Å; P147-W238 HydrophobicContact CG-CB 4.19Å; P147-W238 HydrophobicContact CG-CD2 3.86Å; P147-W238 HydrophobicContact CG-CE3 3.86Å; P147-W238 HydrophobicContact CG-CG 4.02Å
148A97.2Very high97.9Very high27 Ų2741.9 Ų41.922%0.22324%0.242CC..  trans-58150.4169.900000110.9Y150 L151 N205A148-Y150 HydrophobicContact CB-CD1 3.98Å; A148-Y150 HydrophobicContact CB-CE1 3.5Å; A148-Y150 VanDerWaalsContact CB-CE1 3.5Å; A148-Y150 HydrophobicContact CB-CE2 4.25Å; A148-Y150 PolarHBondContact O-N 3.47Å; A148-Y150 VanDerWaalsContact O-N 3.15Å; A148-L151 HydrophobicContact CB-CB 4.5Å; A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 3.21Å; A148-N205 WeakPolarHBondContact CB-O 3.25Å; A148-N205 PolarHBondContact N-O 3.41Å
149E95.1Very high98Very high206 Ų20641.6 Ų41.696%0.96324%0.238SC*.THydrogen-bonded Turntrans-57.9-34.8-172.9-64.6-174.3168.200113.5L151E149-L151 VanDerWaalsContact C-N 3.33Å
150Y96Very high98Very high154 Ų15441.7 Ų41.760%0.60424%0.238SC*.THydrogen-bonded Turntrans-77.2-16.3179.261.3-101.7000113.8A148 N205A148-Y150 HydrophobicContact CB-CD1 3.98Å; A148-Y150 HydrophobicContact CB-CE1 3.5Å; A148-Y150 VanDerWaalsContact CB-CE1 3.5Å; A148-Y150 HydrophobicContact CB-CE2 4.25Å; A148-Y150 PolarHBondContact O-N 3.47Å; A148-Y150 VanDerWaalsContact O-N 3.15Å; Y150-N205 PolarHBondContact OH-OD1 2.89Å
151L97.6Very high98Very high16 Ų1642.6 Ų42.68%0.08424%0.244CC..  trans-78.9129.1-168.5-170.568.3000110.3P147 A148 E149 N205 R236P147-L151 HydrophobicContact CB-CB 4.38Å; P147-L151 HydrophobicContact CB-CD2 3.97Å; A148-L151 HydrophobicContact CB-CB 4.5Å; A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 3.21Å; E149-L151 VanDerWaalsContact C-N 3.33Å; L151-N205 HydrophobicContact CD1-CB 4.14Å; L151-N205 HydrophobicContact CD2-CB 3.93Å; L151-N205 WeakPolarHBondContact CD2-O 3.33Å; L151-R236 PolarHBondContact O-NH2 3.32Å
152S97.7Very high98Very high62 Ų6244.8 Ų44.843%0.43425%0.245SC..  trans-75.2155.9172.271.90000111.4G154 G155 G156 R236S152-G154 VanDerWaalsContact C-N 3.31Å; S152-G154 PolarHBondContact O-N 2.84Å; S152-G155 PolarHBondContact O-N 3.37Å; S152-G155 PolarHBondContact OG-N 3.3Å; S152-G156 PolarHBondContact O-N 3.4Å; S152-R236 VanDerWaalsContact CA-NH2 3.26Å
153L97.3Very high98Very high46 Ų4644.9 Ų44.924%0.24125%0.246CC..Hα-helixtrans-58.4-43.8174.6-82.4173000111.8G156 F157 G235 R236 W238 V241L153-G156 PolarHBondContact O-N 3.49Å; L153-F157 WeakPolarHBondContact O-CB 3.3Å; L153-F157 PolarHBondContact O-N 2.93Å; L153-G235 WeakPolarHBondContact CD2-O 3.34Å; L153-R236 HydrophobicContact CD1-CB 3.75Å; L153-R236 WeakPolarHBondContact CD1-O 3.46Å; L153-R236 HydrophobicContact CD2-CB 4.43Å; L153-R236 HydrophobicContact CG-CB 4.08Å; L153-W238 HydrophobicContact CD2-CE3 4.27Å; L153-V241 HydrophobicContact CD2-CG2 4.31Å
154G98.1Very high98Very high54 Ų5444.9 Ų44.956%0.55725%0.246SC*.Hα-helixtrans-64.7-40.1177.100000112.7S152 F157 L158S152-G154 VanDerWaalsContact C-N 3.31Å; S152-G154 PolarHBondContact O-N 2.84Å; G154-F157 PolarHBondContact O-N 3.39Å; G154-L158 PolarHBondContact O-N 2.86Å
155G98.1Very high98Very high27 Ų2745.4 Ų45.428%0.27825%0.251SS..Hα-helixtrans-63-46.1174.500000112.1S152 F157 L158 D159S152-G155 PolarHBondContact O-N 3.37Å; S152-G155 PolarHBondContact OG-N 3.3Å; G155-F157 VanDerWaalsContact C-N 3.34Å; G155-F157 PolarHBondContact O-N 3.33Å; G155-L158 PolarHBondContact O-N 3.43Å; G155-D159 WeakPolarHBondContact O-CB 3.11Å; G155-D159 PolarHBondContact O-N 3.26Å
156G98.1Very high98Very high0 Ų046.7 Ų46.70%026%0.262CS..Hα-helixtrans-68-31176.700000113.9S152 L153 Q160S152-G156 PolarHBondContact O-N 3.4Å; L153-G156 PolarHBondContact O-N 3.49Å; G156-Q160 WeakPolarHBondContact O-CG 3.37Å; G156-Q160 PolarHBondContact O-N 3.39Å
157F98.7Very high98Very high53 Ų5345.2 Ų45.223%0.23226%0.257CS..Hα-helixtrans-64.3-48171.3-174.1-85.9000111.4L153 G154 G155 D159 Q160 V161 W240 V241 V244 A245 I248L153-F157 WeakPolarHBondContact O-CB 3.3Å; L153-F157 PolarHBondContact O-N 2.93Å; G154-F157 PolarHBondContact O-N 3.39Å; G155-F157 VanDerWaalsContact C-N 3.34Å; G155-F157 PolarHBondContact O-N 3.33Å; F157-D159 PolarHBondContact O-N 3.33Å; F157-Q160 PolarHBondContact O-N 3.43Å; F157-V161 HydrophobicContact CD1-CG2 4.07Å; F157-V161 HydrophobicContact CE1-CG2 3.84Å; F157-V161 HydrophobicContact CZ-CG2 4.48Å; F157-V161 WeakPolarHBondContact O-CG2 3.39Å; F157-V161 PolarHBondContact O-N 2.92Å; F157-W240 AromaticContact CD2-CH2 3.95Å; F157-W240 HydrophobicContact CD2-CH2 3.95Å; F157-W240 AromaticContact CD2-CZ3 3.71Å; F157-W240 HydrophobicContact CD2-CZ3 3.71Å; F157-W240 HydrophobicContact CE2-CH2 4.31Å; F157-W240 AromaticContact CE2-CZ3 3.73Å; F157-W240 HydrophobicContact CE2-CZ3 3.73Å; F157-V241 HydrophobicContact CB-CG1 4.18Å; F157-V241 HydrophobicContact CD2-CG1 4.2Å; F157-V244 HydrophobicContact CE2-CG1 4.25Å; F157-A245 HydrophobicContact CD1-CB 4.45Å; F157-A245 HydrophobicContact CD2-CB 3.7Å; F157-A245 HydrophobicContact CE2-CB 3.78Å; F157-A245 HydrophobicContact CG-CB 4.07Å; F157-A245 HydrophobicContact CZ-CB 4.24Å; F157-I248 HydrophobicContact CE1-CD1 4.39Å; F157-I248 HydrophobicContact CZ-CD1 3.66Å
158L98.6Very high98Very high100 Ų10044.3 Ų44.352%0.52425%0.251SS..Hα-helixtrans-62-43.1176.3-179.662.1000111.8G154 G155 Q160 V161 I162G154-L158 PolarHBondContact O-N 2.86Å; G155-L158 PolarHBondContact O-N 3.43Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-Q160 PolarHBondContact O-N 3.13Å; L158-V161 PolarHBondContact O-N 3.33Å; L158-I162 HydrophobicContact CD1-CD1 3.91Å; L158-I162 HydrophobicContact CD1-CG1 4.04Å; L158-I162 HydrophobicContact CD2-CD1 4.4Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 HydrophobicContact CG-CG1 4.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 2.86Å
159D98.6Very high98.1Very high17 Ų1745.9 Ų45.99%0.09126%0.255CS..Hα-helixtrans-53.6-49.3175-179.279.2000111.7G155 F157 V161 I162 G163 N205 S206G155-D159 WeakPolarHBondContact O-CB 3.11Å; G155-D159 PolarHBondContact O-N 3.26Å; F157-D159 PolarHBondContact O-N 3.33Å; D159-V161 PolarHBondContact O-N 3.48Å; D159-I162 PolarHBondContact O-N 2.94Å; D159-G163 PolarHBondContact O-N 2.94Å; D159-N205 WeakPolarHBondContact OD1-CB 3.44Å; D159-N205 PolarHBondContact OD1-ND2 3.23Å; D159-S206 PolarHBondContact OD2-OG 3.42Å
160Q98.6Very high98.2Very high1 Ų138.3 Ų38.31%0.00522%0.224CC..Hα-helixtrans-67.8-34.1177.5-72.4-58.8-5500113.4G156 F157 L158 T164 S206 W238 V241 A245 P246G156-Q160 WeakPolarHBondContact O-CG 3.37Å; G156-Q160 PolarHBondContact O-N 3.39Å; F157-Q160 PolarHBondContact O-N 3.43Å; L158-Q160 VanDerWaalsContact C-N 3.35Å; L158-Q160 PolarHBondContact O-N 3.13Å; Q160-T164 WeakPolarHBondContact O-CB 3.38Å; Q160-T164 PolarHBondContact O-N 3.43Å; Q160-T164 VanDerWaalsContact O-N 3.1Å; Q160-T164 PolarHBondContact O-OG1 3.23Å; Q160-S206 PolarHBondContact NE2-OG 2.92Å; Q160-W238 HydrophobicContact CG-CH2 4.18Å; Q160-W238 HydrophobicContact CG-CZ2 4.28Å; Q160-V241 HydrophobicContact CB-CG1 4.46Å; Q160-V241 HydrophobicContact CG-CG1 4.2Å; Q160-A245 HydrophobicContact CB-CB 3.58Å; Q160-P246 HydrophobicContact CB-CG 4.48Å
161V98.8Very high98.2Very high19 Ų1933.2 Ų33.212%0.11521%0.207CC..Hα-helixtrans-64-51173.2167.90000110.5F157 L158 D159 T164 A165 A245 I248 G249F157-V161 HydrophobicContact CD1-CG2 4.07Å; F157-V161 HydrophobicContact CE1-CG2 3.84Å; F157-V161 HydrophobicContact CZ-CG2 4.48Å; F157-V161 WeakPolarHBondContact O-CG2 3.39Å; F157-V161 PolarHBondContact O-N 2.92Å; L158-V161 PolarHBondContact O-N 3.33Å; D159-V161 PolarHBondContact O-N 3.48Å; V161-T164 PolarHBondContact O-N 3.3Å; V161-A165 WeakPolarHBondContact O-CB 3.47Å; V161-A165 PolarHBondContact O-N 2.99Å; V161-A245 HydrophobicContact CG2-CB 3.86Å; V161-I248 HydrophobicContact CG2-CB 4.37Å; V161-I248 HydrophobicContact CG2-CG2 4.33Å; V161-G249 WeakPolarHBondContact O-CA 3.1Å
162I98.8Very high98.2Very high86 Ų8633 Ų3344%0.44121%0.206SC..Hα-helixtrans-65.2-45.9-177.6-61.4170.5000110.3L158 D159 T164 A165 A166 M202L158-I162 HydrophobicContact CD1-CD1 3.91Å; L158-I162 HydrophobicContact CD1-CG1 4.04Å; L158-I162 HydrophobicContact CD2-CD1 4.4Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 HydrophobicContact CG-CG1 4.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.48Å; L158-I162 PolarHBondContact O-N 2.86Å; D159-I162 PolarHBondContact O-N 2.94Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 3.06Å; I162-A165 PolarHBondContact O-N 3.07Å; I162-A166 PolarHBondContact O-N 3.03Å; I162-M202 HydrophobicContact CB-CE 3.96Å; I162-M202 HydrophobicContact CG2-CE 3.51Å
163G98.6Very high98.1Very high2 Ų231.2 Ų31.22%0.02120%0.195CC..Hα-helixtrans-59.9-42.2179.400000112.1D159 A166 L167D159-G163 PolarHBondContact O-N 2.94Å; G163-A166 PolarHBondContact O-N 3.33Å; G163-L167 PolarHBondContact O-N 3.47Å
164T98.8Very high98Very high0 Ų030 Ų300%019%0.189CC..Hα-helixtrans-77-30.5-179.2-44.40000112.4A81 Q160 V161 I162 L167 L168 P246A81-T164 HydrophobicContact CB-CG2 4.27Å; Q160-T164 WeakPolarHBondContact O-CB 3.38Å; Q160-T164 PolarHBondContact O-N 3.43Å; Q160-T164 VanDerWaalsContact O-N 3.1Å; Q160-T164 PolarHBondContact O-OG1 3.23Å; V161-T164 PolarHBondContact O-N 3.3Å; I162-T164 VanDerWaalsContact C-N 3.31Å; I162-T164 PolarHBondContact O-N 3.06Å; T164-L167 WeakPolarHBondContact O-CB 3.31Å; T164-L167 PolarHBondContact O-N 2.96Å; T164-L168 HydrophobicContact CG2-CD2 4.02Å; T164-L168 PolarHBondContact O-N 3.4Å; T164-P246 HydrophobicContact CG2-CB 3.92Å; T164-P246 WeakPolarHBondContact CG2-O 3.48Å; T164-P246 WeakPolarHBondContact OG1-CA 3.46Å; T164-P246 WeakPolarHBondContact OG1-CB 3.5Å
165A98.8Very high97.8Very high12 Ų1229.1 Ų29.110%0.09918%0.181CC..Hα-helixtrans-61.7-46.1169.300000111.7V161 I162 L167 L168 L169 G249 V252 G253V161-A165 WeakPolarHBondContact O-CB 3.47Å; V161-A165 PolarHBondContact O-N 2.99Å; I162-A165 PolarHBondContact O-N 3.07Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 2.87Å; A165-L168 PolarHBondContact O-N 3.44Å; A165-L169 VanDerWaalsContact O-CB 3.29Å; A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 PolarHBondContact O-N 3.14Å; A165-G249 WeakPolarHBondContact CA-O 3.42Å; A165-G249 VanDerWaalsContact CB-O 3.29Å; A165-G249 WeakPolarHBondContact CB-O 3.42Å; A165-G249 PolarHBondContact N-O 3.37Å; A165-V252 HydrophobicContact CB-CG1 4.45Å; A165-G253 WeakPolarHBondContact O-CA 3.43Å
166A98.6Very high97.6Very high34 Ų3428.4 Ų28.428%0.28117%0.17SC..Hα-helixtrans-60.8-41.517500000111.7I162 G163 C170 I198I162-A166 PolarHBondContact O-N 3.03Å; G163-A166 PolarHBondContact O-N 3.33Å; A166-C170 WeakPolarHBondContact O-CB 3.38Å; A166-C170 PolarHBondContact O-N 3.03Å; A166-C170 VanDerWaalsContact O-N 3.08Å; A166-C170 PolarHBondContact O-SG 3.46Å; A166-C170 VanDerWaalsContact O-SG 3.38Å; A166-I198 HydrophobicContact CB-CD1 4.47Å
167L98.6Very high97.3Very high12 Ų1232.4 Ų32.46%0.06319%0.189CC..Hα-helixtrans-57-54.8174.7177.964.7000111.4G163 T164 A165 L169 C170 I171 T194 V195 I198 L210G163-L167 PolarHBondContact O-N 3.47Å; T164-L167 WeakPolarHBondContact O-CB 3.31Å; T164-L167 PolarHBondContact O-N 2.96Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 2.87Å; L167-L169 PolarHBondContact O-N 3.05Å; L167-C170 PolarHBondContact O-N 3.19Å; L167-I171 HydrophobicContact CD1-CG1 3.94Å; L167-I171 HydrophobicContact CG-CG1 4.37Å; L167-I171 WeakPolarHBondContact O-CB 3.36Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.97Å; L167-T194 HydrophobicContact CD1-CG2 3.79Å; L167-V195 HydrophobicContact CD1-CG2 3.89Å; L167-I198 HydrophobicContact CB-CD1 3.76Å; L167-I198 HydrophobicContact CD1-CD1 4.26Å; L167-L210 HydrophobicContact CD2-CB 4.13Å
168L98.4Very high97Very high2 Ų235.6 Ų35.61%0.0120%0.2CC..Hα-helixtrans-67.7-37.7-175.6-93.5-63.7000112.5V82 T164 A165 I171 L172V82-L168 HydrophobicContact CB-CD1 4.45Å; V82-L168 HydrophobicContact CG1-CD1 4.44Å; V82-L168 HydrophobicContact CG2-CD1 4.07Å; V82-L168 HydrophobicContact CG2-CD2 3.81Å; T164-L168 HydrophobicContact CG2-CD2 4.02Å; T164-L168 PolarHBondContact O-N 3.4Å; A165-L168 PolarHBondContact O-N 3.44Å; L168-I171 PolarHBondContact O-N 2.99Å; L168-L172 WeakPolarHBondContact O-CB 3.21Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.44Å; L168-L172 PolarHBondContact O-N 2.72Å
169L97.7Very high96.7Very high60 Ų6034.3 Ų34.331%0.31419%0.193SC..Hα-helixtrans-58.7-50.6175.2-174.4160000110.9A165 L167 A173 I256 Y257A165-L169 VanDerWaalsContact O-CB 3.29Å; A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 PolarHBondContact O-N 3.14Å; L167-L169 PolarHBondContact O-N 3.05Å; L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 3.07Å; L169-I256 HydrophobicContact CD1-CG2 3.84Å; L169-Y257 HydrophobicContact CG-CD2 4.46Å
170C97.8Very high96.2Very high47 Ų4737.6 Ų37.632%0.31821%0.214SC..Hα-helixtrans-66.6-40.3179.5-71.40000112.5A166 L167 A173 V174 T194A166-C170 WeakPolarHBondContact O-CB 3.38Å; A166-C170 PolarHBondContact O-N 3.03Å; A166-C170 VanDerWaalsContact O-N 3.08Å; A166-C170 PolarHBondContact O-SG 3.46Å; A166-C170 VanDerWaalsContact O-SG 3.38Å; L167-C170 PolarHBondContact O-N 3.19Å; C170-A173 PolarHBondContact O-N 2.92Å; C170-V174 WeakPolarHBondContact O-CB 3.3Å; C170-V174 VanDerWaalsContact O-CG2 3.28Å; C170-V174 WeakPolarHBondContact O-CG2 3.46Å; C170-V174 PolarHBondContact O-N 2.82Å; C170-T194 HydrophobicContact CB-CG2 3.46Å; C170-T194 VanDerWaalsContact CB-CG2 3.46Å
171I96.8Very high95.7Very high48 Ų4841.7 Ų41.725%0.24624%0.243CC..Hα-helixtrans-65.3-41.3178.9-69.7-66.8000111.4L167 L168 V174 G175 A191L167-I171 HydrophobicContact CD1-CG1 3.94Å; L167-I171 HydrophobicContact CG-CG1 4.37Å; L167-I171 WeakPolarHBondContact O-CB 3.36Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 2.97Å; L168-I171 PolarHBondContact O-N 2.99Å; I171-V174 PolarHBondContact O-N 3.18Å; I171-G175 PolarHBondContact O-N 3.34Å; I171-A191 HydrophobicContact CD1-CB 3.6Å
172L96.4Very high95.4Very high12 Ų1242.2 Ų42.26%0.06325%0.245CC..Hα-helixtrans-64-45.7173.8-71174.2000111L89 L168 V174 G175 D176 T254 Y257L89-L172 HydrophobicContact CD1-CD1 4.37Å; L89-L172 HydrophobicContact CD1-CD2 4.08Å; L168-L172 WeakPolarHBondContact O-CB 3.21Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.44Å; L168-L172 PolarHBondContact O-N 2.72Å; L172-V174 VanDerWaalsContact C-N 3.28Å; L172-V174 PolarHBondContact O-N 2.81Å; L172-G175 CarbonylContact O-C 3.6Å; L172-G175 PolarHBondContact O-N 3.35Å; L172-G175 VanDerWaalsContact O-N 3.08Å; L172-D176 WeakPolarHBondContact O-CB 3.41Å; L172-D176 PolarHBondContact O-N 2.78Å; L172-T254 HydrophobicContact CD1-CG2 3.9Å; L172-Y257 HydrophobicContact CB-CD1 3.56Å; L172-Y257 HydrophobicContact CB-CE1 3.93Å; L172-Y257 HydrophobicContact CB-CG 3.94Å; L172-Y257 HydrophobicContact CD1-CD1 4.09Å; L172-Y257 HydrophobicContact CD1-CG 4.36Å; L172-Y257 HydrophobicContact CG-CD1 4.45Å
173A96.2Very high95.2Very high23 Ų2340.7 Ų40.719%0.1924%0.24CC..Hα-helixtrans-58.7-37.5176.900000113.4L169 C170 Y257L169-A173 WeakPolarHBondContact O-CB 3.5Å; L169-A173 PolarHBondContact O-N 3.07Å; C170-A173 PolarHBondContact O-N 2.92Å; A173-Y257 HydrophobicContact CB-CD2 4.21Å; A173-Y257 HydrophobicContact CB-CE2 3.55Å
174V95.5Very high94.8Very high20 Ų2045.4 Ų45.412%0.12127%0.265CS..Hα-helixtrans-71.8-33.6176.6166.40000112.2C170 I171 L172 I182 Q187 L190C170-V174 WeakPolarHBondContact O-CB 3.3Å; C170-V174 VanDerWaalsContact O-CG2 3.28Å; C170-V174 WeakPolarHBondContact O-CG2 3.46Å; C170-V174 PolarHBondContact O-N 2.82Å; I171-V174 PolarHBondContact O-N 3.18Å; L172-V174 VanDerWaalsContact C-N 3.28Å; L172-V174 PolarHBondContact O-N 2.81Å; V174-I182 HydrophobicContact CB-CD1 4.5Å; V174-I182 HydrophobicContact CG1-CD1 4.44Å; V174-I182 HydrophobicContact CG2-CD1 4.42Å; V174-Q187 HydrophobicContact CG1-CB 3.97Å; V174-Q187 HydrophobicContact CG1-CG 3.85Å; V174-L190 HydrophobicContact CG1-CB 3.93Å; V174-L190 HydrophobicContact CG1-CD1 4.12Å; V174-L190 HydrophobicContact CG2-CB 3.94Å; V174-L190 HydrophobicContact CG2-CD1 4.25Å
175G92.7Very high94.5Very high37 Ų3753.3 Ų53.338%0.38130%0.296SS..Hα-helixtrans-83-18.2179.400000114.2I171 L172 Q177I171-G175 PolarHBondContact O-N 3.34Å; L172-G175 CarbonylContact O-C 3.6Å; L172-G175 PolarHBondContact O-N 3.35Å; L172-G175 VanDerWaalsContact O-N 3.08Å; G175-Q177 PolarHBondContact O-N 2.89Å
176D94.1Very high94.3Very high12 Ų1255.9 Ų55.96%0.06431%0.308CS..  trans-80.2103.8-174.5-164.7-25.2000112.5L172 R178 N179 Y257 H265L172-D176 WeakPolarHBondContact O-CB 3.41Å; L172-D176 PolarHBondContact O-N 2.78Å; D176-R178 PolarHBondContact O-N 2.94Å; D176-R178 WeakPolarHBondContact OD1-CA 3.39Å; D176-R178 WeakPolarHBondContact OD1-CB 3.47Å; D176-R178 PolarHBondContact OD1-N 3.25Å; D176-N179 HydrophobicContact CB-CB 4.08Å; D176-N179 PolarHBondContact O-N 3.17Å; D176-N179 PolarHBondContact OD1-N 3.37Å; D176-Y257 HydrophobicContact CB-CE1 4.23Å; D176-Y257 VanDerWaalsContact CB-OH 3.28Å; D176-Y257 WeakPolarHBondContact CB-OH 3.48Å; D176-Y257 PolarHBondContact OD2-OH 3.38Å; D176-H265 IonicContact OD1-CE1 3.98Å; D176-H265 IonicContact OD2-CE1 2.79Å; D176-H265 PolarHBondContact OD2-CE1 3.39Å; D176-H265 IonicContact OD2-ND1 3.64Å
177Q91.9Very high94.2Very high84 Ų8454.9 Ų54.939%0.39330%0.297SS..THydrogen-bonded Turntrans-68.8-16.3178.6-63.3-58.1-43.600114G175 S181 I182 Q187G175-Q177 PolarHBondContact O-N 2.89Å; Q177-S181 PolarHBondContact OE1-OG 2.84Å; Q177-I182 PolarHBondContact NE2-O 3.42Å; Q177-Q187 VanDerWaalsContact NE2-NE2 3.17Å
178R92.8Very high94.1Very high120 Ų12054.4 Ų54.445%0.45330%0.295SS..THydrogen-bonded Turntrans-88.3-16.3177.8-61.5-174.9-66.7161-5112.9D176 E262 H265D176-R178 PolarHBondContact O-N 2.94Å; D176-R178 WeakPolarHBondContact OD1-CA 3.39Å; D176-R178 WeakPolarHBondContact OD1-CB 3.47Å; D176-R178 PolarHBondContact OD1-N 3.25Å; R178-E262 IonicContact CZ-OE1 2.8Å; R178-E262 IonicContact NH2-OE1 3.47Å; R178-E262 PolarHBondContact NH2-OE1 3.2Å; R178-H265 HydrophobicContact CB-CB 4.46Å; R178-H265 WeakPolarHBondContact CB-ND1 3.42Å
179N92.5Very high94.1Very high72 Ų7258.7 Ų58.739%0.38532%0.317SS..THydrogen-bonded Turntrans-81.8-88.2173.9177.214.6000110.4D176 Y257D176-N179 HydrophobicContact CB-CB 4.08Å; D176-N179 PolarHBondContact O-N 3.17Å; D176-N179 PolarHBondContact OD1-N 3.37Å; N179-Y257 PolarHBondContact ND2-OH 2.89Å
180T87.4Confident94.1Very high86 Ų8658.6 Ų58.653%0.52832%0.317SS..SBendtrans-117.9118.3169.7-62.10000106.3I182T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 HydrophobicContact CG2-CG1 4.21Å; T180-I182 PolarHBondContact O-N 3Å
181S89.3Confident94.1Very high88 Ų8856.8 Ų56.862%0.61531%0.305SS*.  trans-70.493.6178.2-176.90000110.1Q177Q177-S181 PolarHBondContact OE1-OG 2.84Å
182I91.9Very high94.2Very high29 Ų2954.6 Ų54.615%0.14929%0.294CS..  trans-85.4127.5177.3-63.2175.3000108.3V174 Q177 T180 D184 L186 Q187 L190V174-I182 HydrophobicContact CB-CD1 4.5Å; V174-I182 HydrophobicContact CG1-CD1 4.44Å; V174-I182 HydrophobicContact CG2-CD1 4.42Å; Q177-I182 PolarHBondContact NE2-O 3.42Å; T180-I182 VanDerWaalsContact C-N 3.33Å; T180-I182 HydrophobicContact CG2-CG1 4.21Å; T180-I182 PolarHBondContact O-N 3Å; I182-D184 PolarHBondContact O-N 3.5Å; I182-L186 HydrophobicContact CG2-CB 4.04Å; I182-Q187 HydrophobicContact CG2-CG 4.2Å; I182-L190 HydrophobicContact CD1-CD1 3.69Å; I182-L190 HydrophobicContact CG2-CD1 3.75Å
183P93.9Very high94.3Very high54 Ų5456.2 Ų56.235%0.35131%0.31SS..  trans-52.9130.8175-25.532.2000112Y185 L186P183-Y185 HydrophobicContact CB-CD1 3.84Å; P183-Y185 HydrophobicContact CB-CE1 3.34Å; P183-Y185 HydrophobicContact CB-CE2 4.3Å; P183-Y185 HydrophobicContact CB-CG 4.5Å; P183-Y185 HydrophobicContact CG-CE1 4.32Å; P183-Y185 PolarHBondContact O-N 3.05Å; P183-L186 HydrophobicContact CG-CD1 4.31Å; P183-L186 WeakPolarHBondContact O-CB 3.25Å; P183-L186 PolarHBondContact O-N 3.39Å
184D90.7Very high94.4Very high102 Ų10255.7 Ų55.755%0.54530%0.304SS..THydrogen-bonded Turntrans-53.8-32.3-172.1-78.3-34.1000114.3R71 I182 L186 Q187R71-D184 IonicContact NH2-OD1 2.7Å; R71-D184 PolarHBondContact NH2-OD1 3.3Å; I182-D184 PolarHBondContact O-N 3.5Å; D184-L186 VanDerWaalsContact C-N 3.26Å; D184-L186 PolarHBondContact O-N 3.47Å; D184-Q187 PolarHBondContact O-N 2.9Å; D184-Q187 PolarHBondContact OD1-NE2 3.17Å
185Y92.4Very high94.6Very high166 Ų16655.5 Ų55.565%0.65130%0.303SS*.THydrogen-bonded Turntrans-71-17.4179.562.9-99.1000113.8P183P183-Y185 HydrophobicContact CB-CD1 3.84Å; P183-Y185 HydrophobicContact CB-CE1 3.34Å; P183-Y185 HydrophobicContact CB-CE2 4.3Å; P183-Y185 HydrophobicContact CB-CG 4.5Å; P183-Y185 HydrophobicContact CG-CE1 4.32Å; P183-Y185 PolarHBondContact O-N 3.05Å
186L95.9Very high94.9Very high66 Ų6656 Ų5635%0.34630%0.297SS..THydrogen-bonded Turntrans-89.2-22.2176.3-66.6-179000113.2I182 P183 D184 P188 L189 L190I182-L186 HydrophobicContact CG2-CB 4.04Å; P183-L186 HydrophobicContact CG-CD1 4.31Å; P183-L186 WeakPolarHBondContact O-CB 3.25Å; P183-L186 PolarHBondContact O-N 3.39Å; D184-L186 VanDerWaalsContact C-N 3.26Å; D184-L186 PolarHBondContact O-N 3.47Å; L186-P188 VanDerWaalsContact C-CD 3.44Å; L186-P188 VanDerWaalsContact C-N 3.35Å; L186-L189 WeakPolarHBondContact O-CB 3.4Å; L186-L189 PolarHBondContact O-N 3.03Å; L186-L190 PolarHBondContact O-N 3.5Å; L186-L190 VanDerWaalsContact O-N 3.13Å
187Q94.8Very high95.1Very high13 Ų1359.4 Ų59.46%0.06132%0.317CS..Hα-helixtrans-56.6-38.9-176.9-65.1179.423.100113.9R71 V174 Q177 I182 D184 L189 L190 A191R71-Q187 VanDerWaalsContact NH2-CD 3.31Å; V174-Q187 HydrophobicContact CG1-CB 3.97Å; V174-Q187 HydrophobicContact CG1-CG 3.85Å; Q177-Q187 VanDerWaalsContact NE2-NE2 3.17Å; I182-Q187 HydrophobicContact CG2-CG 4.2Å; D184-Q187 PolarHBondContact O-N 2.9Å; D184-Q187 PolarHBondContact OD1-NE2 3.17Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 2.93Å; Q187-L190 PolarHBondContact O-N 3.42Å; Q187-A191 PolarHBondContact O-N 2.94Å
188P97.6Very high95.4Very high2 Ų255.7 Ų55.71%0.01330%0.3CS..Hα-helixtrans-59.4-40.8174.3-25.135.8000113.2T64 V67 F68 L186 A191 G192T64-P188 WeakPolarHBondContact CA-O 3.32Å; T64-P188 HydrophobicContact CG2-CB 4.49Å; T64-P188 PolarHBondContact OG1-O 3.47Å; V67-P188 HydrophobicContact CB-CB 3.99Å; V67-P188 HydrophobicContact CG1-CB 3.74Å; V67-P188 HydrophobicContact CG1-CG 3.76Å; F68-P188 HydrophobicContact CD1-CB 4.03Å; F68-P188 HydrophobicContact CD1-CG 3.83Å; F68-P188 HydrophobicContact CD2-CB 3.88Å; F68-P188 HydrophobicContact CE1-CB 3.9Å; F68-P188 HydrophobicContact CE1-CG 3.64Å; F68-P188 HydrophobicContact CE2-CB 3.75Å; F68-P188 HydrophobicContact CE2-CG 4.42Å; F68-P188 HydrophobicContact CG-CB 4.02Å; F68-P188 HydrophobicContact CG-CG 4.28Å; F68-P188 HydrophobicContact CZ-CB 3.75Å; F68-P188 HydrophobicContact CZ-CG 3.96Å; L186-P188 VanDerWaalsContact C-CD 3.44Å; L186-P188 VanDerWaalsContact C-N 3.35Å; P188-A191 PolarHBondContact O-N 2.95Å; P188-G192 PolarHBondContact O-N 3.42Å
189L98.1Very high95.7Very high91 Ų9150 Ų5048%0.47628%0.279SS..Hα-helixtrans-66-40.8178.6-179.964.3000111.4T64 L186 Q187 G192 A193T64-L189 HydrophobicContact CG2-CD1 4.49Å; L186-L189 WeakPolarHBondContact O-CB 3.4Å; L186-L189 PolarHBondContact O-N 3.03Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 2.93Å; L189-G192 PolarHBondContact O-N 3.41Å; L189-A193 PolarHBondContact O-N 2.89Å
190L98.1Very high95.9Very high59 Ų5950 Ų5031%0.30928%0.281SS..Hα-helixtrans-72-31.1179-64.1176000112.8V174 I182 L186 Q187 A193 T194V174-L190 HydrophobicContact CG1-CB 3.93Å; V174-L190 HydrophobicContact CG1-CD1 4.12Å; V174-L190 HydrophobicContact CG2-CB 3.94Å; V174-L190 HydrophobicContact CG2-CD1 4.25Å; I182-L190 HydrophobicContact CD1-CD1 3.69Å; I182-L190 HydrophobicContact CG2-CD1 3.75Å; L186-L190 PolarHBondContact O-N 3.5Å; L186-L190 VanDerWaalsContact O-N 3.13Å; Q187-L190 PolarHBondContact O-N 3.42Å; L190-A193 PolarHBondContact O-N 3.27Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 3.5Å
191A98.2Very high96.4Very high9 Ų949.6 Ų49.67%0.07428%0.282CS..Hα-helixtrans-61.6-44.8169.600000111.1V63 V67 I171 Q187 P188 T194 V195V63-A191 HydrophobicContact CG1-CB 4.25Å; V67-A191 HydrophobicContact CG2-CB 4.44Å; I171-A191 HydrophobicContact CD1-CB 3.6Å; Q187-A191 PolarHBondContact O-N 2.94Å; P188-A191 PolarHBondContact O-N 2.95Å; A191-T194 WeakPolarHBondContact O-CB 3.31Å; A191-T194 PolarHBondContact O-N 3.28Å; A191-V195 PolarHBondContact O-N 3.4Å
192G98.5Very high96.8Very high1 Ų147.4 Ų47.41%0.0126%0.263CS..Hα-helixtrans-63.7-41.9172.300000113.2A60 T64 P188 L189 T194 V195 L196A60-G192 VanDerWaalsContact CB-O 3.3Å; A60-G192 WeakPolarHBondContact CB-O 3.36Å; A60-G192 VanDerWaalsContact O-CA 3.28Å; A60-G192 WeakPolarHBondContact O-CA 3.29Å; T64-G192 WeakPolarHBondContact OG1-CA 3.45Å; P188-G192 PolarHBondContact O-N 3.42Å; L189-G192 PolarHBondContact O-N 3.41Å; G192-T194 VanDerWaalsContact C-N 3.28Å; G192-T194 PolarHBondContact O-N 2.99Å; G192-V195 PolarHBondContact O-N 2.91Å; G192-V195 VanDerWaalsContact O-N 3.12Å; G192-L196 PolarHBondContact O-N 3.11Å
193A98.6Very high97Very high47 Ų4746.2 Ų46.239%0.38826%0.257SS..Hα-helixtrans-61.5-36.5176.700000112.5L189 L190 L196 V197L189-A193 PolarHBondContact O-N 2.89Å; L190-A193 PolarHBondContact O-N 3.27Å; A193-L196 WeakPolarHBondContact O-CB 3.41Å; A193-L196 PolarHBondContact O-N 3Å; A193-V197 PolarHBondContact O-N 2.87Å
194T98.5Very high97.1Very high12 Ų1247.6 Ų47.67%0.07427%0.268CS..Hα-helixtrans-60.5-45.6172.8-59.30000111L167 C170 L190 A191 G192 V197 I198L167-T194 HydrophobicContact CD1-CG2 3.79Å; C170-T194 HydrophobicContact CB-CG2 3.46Å; C170-T194 VanDerWaalsContact CB-CG2 3.46Å; L190-T194 PolarHBondContact O-N 3.47Å; L190-T194 PolarHBondContact O-OG1 3.5Å; A191-T194 WeakPolarHBondContact O-CB 3.31Å; A191-T194 PolarHBondContact O-N 3.28Å; G192-T194 VanDerWaalsContact C-N 3.28Å; G192-T194 PolarHBondContact O-N 2.99Å; T194-V197 VanDerWaalsContact O-CG1 3.25Å; T194-V197 WeakPolarHBondContact O-CG1 3.43Å; T194-V197 PolarHBondContact O-N 2.86Å; T194-I198 HydrophobicContact CG2-CD1 4.01Å; T194-I198 WeakPolarHBondContact O-CD1 3.19Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.41Å; T194-I198 PolarHBondContact O-N 3.24Å; T194-I198 VanDerWaalsContact O-N 3.14Å
195V98.6Very high97.5Very high15 Ų1545 Ų459%0.09126%0.255CS..Hα-helixtrans-68.5-36.6178172.20000111.5F59 V63 L167 A191 G192 G199F59-V195 HydrophobicContact CB-CG1 4.46Å; V63-V195 HydrophobicContact CB-CG2 4.47Å; V63-V195 HydrophobicContact CG1-CG2 4.34Å; V63-V195 HydrophobicContact CG2-CB 4.43Å; V63-V195 HydrophobicContact CG2-CG1 4.28Å; V63-V195 HydrophobicContact CG2-CG2 4.04Å; L167-V195 HydrophobicContact CD1-CG2 3.89Å; A191-V195 PolarHBondContact O-N 3.4Å; G192-V195 PolarHBondContact O-N 2.91Å; G192-V195 VanDerWaalsContact O-N 3.12Å; V195-G199 PolarHBondContact O-N 3.38Å
196L98.7Very high97.6Very high48 Ų4837.2 Ų37.225%0.25122%0.224SC..Hα-helixtrans-59.4-52.5174.3-178.458.6000111N56 L57 A60 G192 A193 I198 G199 V200N56-L196 HydrophobicContact CB-CD1 3.79Å; L57-L196 HydrophobicContact CD2-CD1 3.99Å; L57-L196 HydrophobicContact CD2-CD2 4.04Å; L57-L196 HydrophobicContact CG-CD1 4.25Å; A60-L196 HydrophobicContact CB-CB 3.66Å; A60-L196 HydrophobicContact CB-CD1 4.3Å; A60-L196 HydrophobicContact CB-CG 4.46Å; G192-L196 PolarHBondContact O-N 3.11Å; A193-L196 WeakPolarHBondContact O-CB 3.41Å; A193-L196 PolarHBondContact O-N 3Å; L196-I198 VanDerWaalsContact C-N 3.32Å; L196-I198 PolarHBondContact O-N 3.12Å; L196-G199 PolarHBondContact O-N 2.84Å; L196-G199 VanDerWaalsContact O-N 3.17Å; L196-V200 HydrophobicContact CD1-CG1 4.15Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.36Å
197V98.4Very high97.6Very high83 Ų8335.2 Ų35.250%0.50322%0.22SC..Hα-helixtrans-64-38.7-176.671.50000111.3A193 T194 V200 S201A193-V197 PolarHBondContact O-N 2.87Å; T194-V197 VanDerWaalsContact O-CG1 3.25Å; T194-V197 WeakPolarHBondContact O-CG1 3.43Å; T194-V197 PolarHBondContact O-N 2.86Å; V197-V200 WeakPolarHBondContact O-CG2 3.29Å; V197-S201 VanDerWaalsContact O-CB 3.31Å; V197-S201 WeakPolarHBondContact O-CB 3.4Å; V197-S201 PolarHBondContact O-N 2.95Å; V197-S201 VanDerWaalsContact O-N 3.08Å; V197-S201 PolarHBondContact O-OG 2.91Å
198I98.5Very high97.7Very high6 Ų635.1 Ų35.13%0.03122%0.219CC..Hα-helixtrans-64.2-44.9174.4-64.7164.6000110.5A166 L167 T194 L196 V200 S201 M202 L210A166-I198 HydrophobicContact CB-CD1 4.47Å; L167-I198 HydrophobicContact CB-CD1 3.76Å; L167-I198 HydrophobicContact CD1-CD1 4.26Å; T194-I198 HydrophobicContact CG2-CD1 4.01Å; T194-I198 WeakPolarHBondContact O-CD1 3.19Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.41Å; T194-I198 PolarHBondContact O-N 3.24Å; T194-I198 VanDerWaalsContact O-N 3.14Å; L196-I198 VanDerWaalsContact C-N 3.32Å; L196-I198 PolarHBondContact O-N 3.12Å; I198-V200 PolarHBondContact O-N 3.47Å; I198-S201 PolarHBondContact O-N 3.39Å; I198-M202 HydrophobicContact CG2-CB 4.29Å; I198-M202 HydrophobicContact CG2-SD 4.21Å; I198-M202 WeakPolarHBondContact O-CA 3.18Å; I198-M202 WeakPolarHBondContact O-CB 3.39Å; I198-M202 PolarHBondContact O-N 2.91Å; I198-L210 HydrophobicContact CB-CD1 4.32Å; I198-L210 HydrophobicContact CD1-CD1 4.21Å; I198-L210 HydrophobicContact CG2-CD1 3.71Å; I198-L210 HydrophobicContact CG2-CD2 4.06Å; I198-L210 HydrophobicContact CG2-CG 4.43Å
199G98.3Very high97.7Very high0 Ų035.2 Ų35.20%022%0.22CC..Hα-helixtrans-59.8-44.1179.400000113.2Y52 N56 V195 L196 G203Y52-G199 PolarHBondContact OH-O 3.32Å; N56-G199 VanDerWaalsContact ND2-C 3.29Å; N56-G199 WeakPolarHBondContact ND2-CA 3.4Å; N56-G199 PolarHBondContact ND2-O 2.88Å; V195-G199 PolarHBondContact O-N 3.38Å; L196-G199 PolarHBondContact O-N 2.84Å; L196-G199 VanDerWaalsContact O-N 3.17Å; G199-G203 WeakPolarHBondContact O-CA 3.41Å; G199-G203 PolarHBondContact O-N 2.97Å
200V98.2Very high97.6Very high73 Ų7331.2 Ų31.244%0.44220%0.199SC..Hα-helixtrans-76.7-24.6-179.2-58.20000113.5L53 N56 L196 V197 I198L53-V200 HydrophobicContact CD1-CG1 3.95Å; N56-V200 HydrophobicContact CB-CG1 3.95Å; L196-V200 HydrophobicContact CD1-CG1 4.15Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.36Å; V197-V200 WeakPolarHBondContact O-CG2 3.29Å; I198-V200 PolarHBondContact O-N 3.47Å
201S98.1Very high97.7Very high78 Ų7828.9 Ų28.955%0.54519%0.187SC..Hα-helixtrans-101.8-25.2-175.960.80000114.6V197 I198V197-S201 VanDerWaalsContact O-CB 3.31Å; V197-S201 WeakPolarHBondContact O-CB 3.4Å; V197-S201 PolarHBondContact O-N 2.95Å; V197-S201 VanDerWaalsContact O-N 3.08Å; V197-S201 PolarHBondContact O-OG 2.91Å; I198-S201 PolarHBondContact O-N 3.39Å
202M97.1Very high97.7Very high42 Ų4228.6 Ų28.621%0.20718%0.184CC..Hα-helixtrans-133.33.8-170.1-53.7176.272.900113.3I162 I198I162-M202 HydrophobicContact CB-CE 3.96Å; I162-M202 HydrophobicContact CG2-CE 3.51Å; I198-M202 HydrophobicContact CG2-CB 4.29Å; I198-M202 HydrophobicContact CG2-SD 4.21Å; I198-M202 WeakPolarHBondContact O-CA 3.18Å; I198-M202 WeakPolarHBondContact O-CB 3.39Å; I198-M202 PolarHBondContact O-N 2.91Å
203G96.4Very high97.7Very high3 Ų328.5 Ų28.53%0.03118%0.183CC..  trans-86.2-14.6-170.100000116.4Y52 G199 N205 G207 Y208Y52-G203 VanDerWaalsContact OH-C 3.23Å; Y52-G203 WeakPolarHBondContact OH-CA 3.46Å; G199-G203 WeakPolarHBondContact O-CA 3.41Å; G199-G203 PolarHBondContact O-N 2.97Å; G203-N205 PolarHBondContact O-N 3.11Å; G203-G207 VanDerWaalsContact O-CA 3.25Å; G203-G207 WeakPolarHBondContact O-CA 3.3Å; G203-G207 PolarHBondContact O-N 3.48Å; G203-Y208 VanDerWaalsContact CA-CD1 3.46Å
204S96Very high97.7Very high84 Ų8427 Ų2759%0.58717%0.167SC*.THydrogen-bonded Turntrans-68-29.9-174.758.40000114.3
205N97.6Very high97.7Very high48 Ų4826.5 Ų26.526%0.25716%0.164SC..THydrogen-bonded Turntrans-68.5-53.8-178-74.1-31.7000111.1A148 Y150 L151 D159 G203A148-N205 WeakPolarHBondContact CB-O 3.25Å; A148-N205 PolarHBondContact N-O 3.41Å; Y150-N205 PolarHBondContact OH-OD1 2.89Å; L151-N205 HydrophobicContact CD1-CB 4.14Å; L151-N205 HydrophobicContact CD2-CB 3.93Å; L151-N205 WeakPolarHBondContact CD2-O 3.33Å; D159-N205 WeakPolarHBondContact OD1-CB 3.44Å; D159-N205 PolarHBondContact OD1-ND2 3.23Å; G203-N205 PolarHBondContact O-N 3.11Å
206S96.1Very high97.7Very high1 Ų128.5 Ų28.51%0.00717%0.172CC..THydrogen-bonded Turntrans-143.215.2-167.772.10000114.9T145 D159 Q160 Y208T145-S206 WeakPolarHBondContact CB-O 3.38Å; D159-S206 PolarHBondContact OD2-OG 3.42Å; Q160-S206 PolarHBondContact NE2-OG 2.92Å; S206-Y208 PolarHBondContact O-N 2.87Å
207G95Very high97.7Very high25 Ų2526.2 Ų26.226%0.25816%0.16SC..  trans74.621.3174.500000114.9G203 A209G203-G207 VanDerWaalsContact O-CA 3.25Å; G203-G207 WeakPolarHBondContact O-CA 3.3Å; G203-G207 PolarHBondContact O-N 3.48Å; G207-A209 PolarHBondContact O-N 2.89Å
208Y97.1Very high97.8Very high11 Ų1122.3 Ų22.34%0.04314%0.136CC..  trans42.158.2173.962.9-79.1000113.2N56 F59 G203 S206 L210N56-Y208 WeakPolarHBondContact CA-OH 3.39Å; N56-Y208 VanDerWaalsContact ND2-CE1 3.3Å; N56-Y208 WeakPolarHBondContact ND2-CE1 3.38Å; N56-Y208 PolarHBondContact ND2-OH 3.26Å; N56-Y208 VanDerWaalsContact ND2-OH 3.12Å; F59-Y208 HydrophobicContact CB-CE2 4.24Å; F59-Y208 HydrophobicContact CG-CE2 4.37Å; G203-Y208 VanDerWaalsContact CA-CD1 3.46Å; S206-Y208 PolarHBondContact O-N 2.87Å; Y208-L210 HydrophobicContact CD2-CD1 4.29Å; Y208-L210 WeakPolarHBondContact O-CG 3.24Å; Y208-L210 PolarHBondContact O-N 2.77Å
209A96.8Very high97.8Very high3 Ų322 Ų223%0.02514%0.135CC..  trans-57.5-51-178.900000112.2T145 G207 N211 R214 D215 P242T145-A209 HydrophobicContact CG2-CB 3.73Å; G207-A209 PolarHBondContact O-N 2.89Å; A209-N211 PolarHBondContact O-N 2.59Å; A209-R214 WeakPolarHBondContact O-CD 3.48Å; A209-D215 HydrophobicContact CB-CB 4.39Å; A209-P242 HydrophobicContact CB-CB 3.76Å; A209-P242 HydrophobicContact CB-CG 4.14Å
210L97.5Very high97.8Very high7 Ų726.4 Ų26.44%0.03715%0.154CC..  trans57.1-11.8173-51.6171.7000116.8N79 L167 I198 Y208N79-L210 PolarHBondContact ND2-O 3.5Å; L167-L210 HydrophobicContact CD2-CB 4.13Å; I198-L210 HydrophobicContact CB-CD1 4.32Å; I198-L210 HydrophobicContact CD1-CD1 4.21Å; I198-L210 HydrophobicContact CG2-CD1 3.71Å; I198-L210 HydrophobicContact CG2-CD2 4.06Å; I198-L210 HydrophobicContact CG2-CG 4.43Å; Y208-L210 HydrophobicContact CD2-CD1 4.29Å; Y208-L210 WeakPolarHBondContact O-CG 3.24Å; Y208-L210 PolarHBondContact O-N 2.77Å
211N98.7Very high97.8Very high11 Ų1124 Ų246%0.05914%0.138CC..  trans-147.6110.9-164175.6-15.8000108.6L78 N79 P80 A209 A213 R214 D215L78-N211 PolarHBondContact O-ND2 2.71Å; N79-N211 HydrophobicContact CB-CB 4.28Å; N79-N211 VanDerWaalsContact CG-CG 3.45Å; N79-N211 WeakPolarHBondContact ND2-CB 3.45Å; N79-N211 WeakPolarHBondContact OD1-CA 3.45Å; P80-N211 VanDerWaalsContact CD-OD1 3.31Å; P80-N211 WeakPolarHBondContact CD-OD1 3.31Å; A209-N211 PolarHBondContact O-N 2.59Å; N211-A213 VanDerWaalsContact C-N 3.28Å; N211-A213 PolarHBondContact O-N 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.38Å; N211-A213 PolarHBondContact OD1-N 3.31Å; N211-R214 HydrophobicContact CB-CB 3.73Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 VanDerWaalsContact O-N 3.15Å; N211-R214 PolarHBondContact OD1-N 2.93Å; N211-D215 PolarHBondContact O-N 2.74Å
212P98.9Very high97.9Very high2 Ų220.3 Ų20.31%0.01311%0.112CC..Hα-helixtrans-56.8-37.2179.5-29.937.4000114.5N79 P80 D215 F216 P242 L243 P246N79-P212 VanDerWaalsContact OD1-CD 3.3Å; N79-P212 WeakPolarHBondContact OD1-CD 3.35Å; P80-P212 HydrophobicContact CB-CB 4.15Å; P80-P212 HydrophobicContact CB-CG 4.18Å; P80-P212 HydrophobicContact CG-CB 4.05Å; P212-D215 PolarHBondContact O-N 3.29Å; P212-F216 WeakPolarHBondContact O-CB 3.38Å; P212-F216 PolarHBondContact O-N 2.87Å; P212-P242 WeakPolarHBondContact CA-O 3.32Å; P212-L243 HydrophobicContact CB-CD1 3.74Å; P212-P246 HydrophobicContact CG-CB 4.25Å
213A98.8Very high97.9Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-68.8-40178.400000112P80 Q104 I105 A108 N211 D215 G217 P218P80-A213 HydrophobicContact CG-CB 3.86Å; Q104-A213 HydrophobicContact CB-CB 3.74Å; I105-A213 HydrophobicContact CG1-CB 3.92Å; A108-A213 WeakPolarHBondContact CB-O 3.37Å; N211-A213 VanDerWaalsContact C-N 3.28Å; N211-A213 PolarHBondContact O-N 3.4Å; N211-A213 WeakPolarHBondContact OD1-CB 3.38Å; N211-A213 PolarHBondContact OD1-N 3.31Å; A213-D215 PolarHBondContact O-N 2.69Å; A213-G217 PolarHBondContact O-N 3.45Å; A213-G217 VanDerWaalsContact O-N 3.14Å; A213-P218 WeakPolarHBondContact O-CD 3.39Å
214R98.7Very high98Very high15 Ų1528 Ų286%0.05715%0.145CC..Hα-helixtrans-63.5-25.3178.9173.4-92.3178.7-88.59.1113.4I32 F59 F143 A209 N211 P218I32-R214 HydrophobicContact CD1-CB 3.91Å; I32-R214 HydrophobicContact CD1-CG 3.57Å; F59-R214 HydrophobicContact CE1-CG 4.19Å; F59-R214 VanDerWaalsContact CZ-CZ 3.43Å; F143-R214 PolarHBondContact O-NH1 3.37Å; A209-R214 WeakPolarHBondContact O-CD 3.48Å; N211-R214 HydrophobicContact CB-CB 3.73Å; N211-R214 PolarHBondContact O-N 2.99Å; N211-R214 VanDerWaalsContact O-N 3.15Å; N211-R214 PolarHBondContact OD1-N 2.93Å; R214-P218 WeakPolarHBondContact O-CD 3.2Å; R214-P218 WeakPolarHBondContact O-CG 3.37Å
215D98.8Very high98.1Very high2 Ų225.9 Ų25.91%0.01113%0.132CC..Hα-helixtrans-96.8-51.4177.2-168.9-92.4000112.1S144 T145 A209 N211 P212 A213 R219 P242S144-D215 PolarHBondContact OG-O 2.79Å; T145-D215 WeakPolarHBondContact CB-OD2 3.35Å; T145-D215 PolarHBondContact N-OD2 3.39Å; T145-D215 PolarHBondContact OG1-OD2 3.37Å; A209-D215 HydrophobicContact CB-CB 4.39Å; N211-D215 PolarHBondContact O-N 2.74Å; P212-D215 PolarHBondContact O-N 3.29Å; A213-D215 PolarHBondContact O-N 2.69Å; D215-R219 VanDerWaalsContact CG-NH2 3.29Å; D215-R219 VanDerWaalsContact O-CB 3.24Å; D215-R219 WeakPolarHBondContact O-CB 3.49Å; D215-R219 PolarHBondContact O-N 3.34Å; D215-R219 IonicContact OD1-CZ 3.27Å; D215-R219 VanDerWaalsContact OD1-CZ 3.27Å; D215-R219 IonicContact OD1-NE 3Å; D215-R219 PolarHBondContact OD1-NE 2.91Å; D215-R219 IonicContact OD1-NH2 2.7Å; D215-R219 PolarHBondContact OD1-NH2 3.18Å; D215-R219 IonicContact OD2-NH2 3.11Å; D215-R219 PolarHBondContact OD2-NH2 3.43Å; D215-R219 VanDerWaalsContact OD2-NH2 3.11Å; D215-P242 HydrophobicContact CB-CB 3.64Å; D215-P242 HydrophobicContact CB-CG 4.36Å
216F98.8Very high98.1Very high56 Ų5626 Ų2625%0.24615%0.145CC..Hα-helixtrans-70.5-41.5-171.3-174.8-100.5000113.3I105 P212 R219 F220 F232I105-F216 HydrophobicContact CD1-CD1 4.24Å; I105-F216 HydrophobicContact CG2-CD1 3.96Å; I105-F216 HydrophobicContact CG2-CE1 4.49Å; P212-F216 WeakPolarHBondContact O-CB 3.38Å; P212-F216 PolarHBondContact O-N 2.87Å; F216-R219 PolarHBondContact O-N 3.38Å; F216-F220 WeakPolarHBondContact O-CB 3.39Å; F216-F220 PolarHBondContact O-N 2.85Å; F216-F232 HydrophobicContact CE2-CE1 4.19Å
217G98.8Very high98.2Very high1 Ų126.9 Ų26.91%0.0115%0.148CC..Hα-helixtrans-59.3-53.7178.800000112.5A213 R219 F220 F221A213-G217 PolarHBondContact O-N 3.45Å; A213-G217 VanDerWaalsContact O-N 3.14Å; G217-R219 VanDerWaalsContact C-N 3.28Å; G217-R219 PolarHBondContact O-N 3.16Å; G217-F220 PolarHBondContact O-N 3.32Å; G217-F221 PolarHBondContact O-N 3.34Å
218P98.9Very high98.3Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-64.4-28.4175.2-24.837000113.8I32 A108 A112 F143 A213 R214 F221 T222I32-P218 HydrophobicContact CD1-CG 4.36Å; I32-P218 HydrophobicContact CG2-CG 4.16Å; A108-P218 HydrophobicContact CB-CG 4.35Å; A112-P218 HydrophobicContact CB-CB 3.65Å; A112-P218 HydrophobicContact CB-CG 3.97Å; F143-P218 HydrophobicContact CB-CB 3.8Å; F143-P218 VanDerWaalsContact O-CB 3.23Å; F143-P218 WeakPolarHBondContact O-CB 3.22Å; A213-P218 WeakPolarHBondContact O-CD 3.39Å; R214-P218 WeakPolarHBondContact O-CD 3.2Å; R214-P218 WeakPolarHBondContact O-CG 3.37Å; P218-F221 WeakPolarHBondContact O-CB 3.37Å; P218-F221 PolarHBondContact O-N 2.89Å; P218-T222 PolarHBondContact O-N 2.96Å; P218-T222 PolarHBondContact O-OG1 3.25Å; P218-T222 VanDerWaalsContact O-OG1 3.13Å
219R98.8Very high98.4Very high1 Ų129.8 Ų29.80%0.00417%0.165CC..Hα-helixtrans-69.2-42176.3-169.3179.9-62.3-76.5-3.9110.7S144 T145 Y146 D215 F216 G217 F221 T222 Y223 V231 F232S144-R219 WeakPolarHBondContact OG-CA 3.16Å; S144-R219 VanDerWaalsContact OG-CB 3.29Å; S144-R219 WeakPolarHBondContact OG-CB 3.42Å; S144-R219 PolarHBondContact OG-N 2.85Å; T145-R219 PolarHBondContact O-NH2 3.41Å; Y146-R219 PolarHBondContact OH-NH1 3.29Å; D215-R219 VanDerWaalsContact CG-NH2 3.29Å; D215-R219 VanDerWaalsContact O-CB 3.24Å; D215-R219 WeakPolarHBondContact O-CB 3.49Å; D215-R219 PolarHBondContact O-N 3.34Å; D215-R219 IonicContact OD1-CZ 3.27Å; D215-R219 VanDerWaalsContact OD1-CZ 3.27Å; D215-R219 IonicContact OD1-NE 3Å; D215-R219 PolarHBondContact OD1-NE 2.91Å; D215-R219 IonicContact OD1-NH2 2.7Å; D215-R219 PolarHBondContact OD1-NH2 3.18Å; D215-R219 IonicContact OD2-NH2 3.11Å; D215-R219 PolarHBondContact OD2-NH2 3.43Å; D215-R219 VanDerWaalsContact OD2-NH2 3.11Å; F216-R219 PolarHBondContact O-N 3.38Å; G217-R219 VanDerWaalsContact C-N 3.28Å; G217-R219 PolarHBondContact O-N 3.16Å; R219-F221 VanDerWaalsContact C-N 3.33Å; R219-T222 WeakPolarHBondContact CA-OG1 3.45Å; R219-T222 PolarHBondContact O-N 2.79Å; R219-T222 PolarHBondContact O-OG1 3.08Å; R219-Y223 PolarHBondContact O-N 3.03Å; R219-V231 WeakPolarHBondContact CD-O 3.37Å; R219-V231 HydrophobicContact CG-CB 4.14Å; R219-V231 HydrophobicContact CG-CG2 4.09Å; R219-V231 PolarHBondContact NH1-O 3.07Å; R219-F232 VanDerWaalsContact CD-CE1 3.44Å; R219-F232 HydrophobicContact CG-CD1 4.25Å; R219-F232 HydrophobicContact CG-CE1 3.79Å; R219-F232 HydrophobicContact CG-CZ 4.09Å
220F98.8Very high98.4Very high91 Ų9133.5 Ų33.540%0.39918%0.184SC..Hα-helixtrans-66.1-37174.3-171.4-112.2000111.7F109 F216 G217 Y223 I224F109-F220 AromaticContact CD2-CD1 3.9Å; F109-F220 HydrophobicContact CD2-CD1 3.9Å; F109-F220 AromaticContact CE2-CD1 3.85Å; F109-F220 HydrophobicContact CE2-CD1 3.85Å; F109-F220 HydrophobicContact CE2-CE1 4.36Å; F216-F220 WeakPolarHBondContact O-CB 3.39Å; F216-F220 PolarHBondContact O-N 2.85Å; G217-F220 PolarHBondContact O-N 3.32Å; F220-Y223 HydrophobicContact CD2-CD1 4.43Å; F220-Y223 HydrophobicContact CE2-CD1 4.28Å; F220-Y223 WeakPolarHBondContact O-CB 3.47Å; F220-Y223 PolarHBondContact O-N 3Å; F220-I224 HydrophobicContact CE1-CG2 4.43Å; F220-I224 HydrophobicContact CE2-CG2 4.48Å; F220-I224 HydrophobicContact CZ-CG2 4.23Å; F220-I224 PolarHBondContact O-N 3.33Å
221F98.8Very high98.5Very high23 Ų2333.1 Ų33.110%0.10118%0.182CC..Hα-helixtrans-58.9-51.3170.7166.4-105.6000112.1F109 A112 A113 F143 G217 P218 R219 Y223 I224 A225F109-F221 HydrophobicContact CD2-CB 3.73Å; F109-F221 HydrophobicContact CE2-CB 3.86Å; F109-F221 HydrophobicContact CE2-CD2 4.44Å; A112-F221 HydrophobicContact CB-CB 4.07Å; A112-F221 HydrophobicContact CB-CD1 3.79Å; A112-F221 HydrophobicContact CB-CG 4.05Å; A113-F221 HydrophobicContact CB-CD2 3.81Å; A113-F221 HydrophobicContact CB-CE2 3.77Å; A113-F221 HydrophobicContact CB-CZ 4.49Å; F143-F221 HydrophobicContact CD1-CD1 4.08Å; F143-F221 HydrophobicContact CD1-CE1 4.1Å; F143-F221 HydrophobicContact CE1-CD1 4.21Å; F143-F221 AromaticContact CE1-CE1 3.76Å; F143-F221 HydrophobicContact CE1-CE1 3.76Å; F143-F221 HydrophobicContact CE2-CE1 4.4Å; F143-F221 HydrophobicContact CG-CD1 4.41Å; F143-F221 AromaticContact CZ-CE1 3.92Å; F143-F221 HydrophobicContact CZ-CE1 3.92Å; G217-F221 PolarHBondContact O-N 3.34Å; P218-F221 WeakPolarHBondContact O-CB 3.37Å; P218-F221 PolarHBondContact O-N 2.89Å; R219-F221 VanDerWaalsContact C-N 3.33Å; F221-Y223 VanDerWaalsContact C-N 3.3Å; F221-Y223 PolarHBondContact O-N 3.11Å; F221-I224 WeakPolarHBondContact O-CG1 3.39Å; F221-I224 PolarHBondContact O-N 3.22Å; F221-A225 HydrophobicContact CD2-CB 4.31Å; F221-A225 HydrophobicContact CE1-CB 4.28Å; F221-A225 HydrophobicContact CE2-CB 3.83Å; F221-A225 HydrophobicContact CZ-CB 3.82Å; F221-A225 WeakPolarHBondContact O-CB 3.34Å; F221-A225 PolarHBondContact O-N 3.33Å
222T98.8Very high98.4Very high0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-64.2-34.9-179.145.60000112.9F143 P218 R219 I224 A225 G226 W227F143-T222 HydrophobicContact CB-CG2 3.66Å; F143-T222 HydrophobicContact CD2-CG2 3.27Å; F143-T222 HydrophobicContact CE2-CG2 4.06Å; F143-T222 HydrophobicContact CG-CG2 3.6Å; P218-T222 PolarHBondContact O-N 2.96Å; P218-T222 PolarHBondContact O-OG1 3.25Å; P218-T222 VanDerWaalsContact O-OG1 3.13Å; R219-T222 WeakPolarHBondContact CA-OG1 3.45Å; R219-T222 PolarHBondContact O-N 2.79Å; R219-T222 PolarHBondContact O-OG1 3.08Å; T222-I224 PolarHBondContact O-N 3.43Å; T222-A225 PolarHBondContact O-N 3.28Å; T222-G226 PolarHBondContact O-N 3.16Å; T222-W227 HydrophobicContact CG2-CD2 4.09Å; T222-W227 HydrophobicContact CG2-CE3 3.98Å; T222-W227 HydrophobicContact CG2-CZ3 4.32Å; T222-W227 WeakPolarHBondContact O-CB 3.26Å; T222-W227 PolarHBondContact O-N 3.31Å; T222-W227 VanDerWaalsContact O-N 3.11Å
223Y98.7Very high98.4Very high110 Ų11042.6 Ų42.643%0.43122%0.218SC..Iπ-helixtrans-54.3-52.6171.2175.7-111.3000112R219 F220 F221 V231 F232R219-Y223 PolarHBondContact O-N 3.03Å; F220-Y223 HydrophobicContact CD2-CD1 4.43Å; F220-Y223 HydrophobicContact CE2-CD1 4.28Å; F220-Y223 WeakPolarHBondContact O-CB 3.47Å; F220-Y223 PolarHBondContact O-N 3Å; F221-Y223 VanDerWaalsContact C-N 3.3Å; F221-Y223 PolarHBondContact O-N 3.11Å; Y223-V231 HydrophobicContact CD2-CG2 4.31Å; Y223-F232 HydrophobicContact CD1-CE2 4.43Å; Y223-F232 HydrophobicContact CD2-CD2 4.11Å; Y223-F232 AromaticContact CD2-CE2 3.85Å; Y223-F232 HydrophobicContact CD2-CE2 3.85Å; Y223-F232 HydrophobicContact CG-CD2 4.47Å; Y223-F232 AromaticContact CG-CE2 3.76Å; Y223-F232 HydrophobicContact CG-CE2 3.76Å
224I98.3Very high98.3Very high96 Ų9643.4 Ų43.449%0.49223%0.225SC..Iπ-helixtrans-74.3-27.1-178.165.3164.8000113F109 F220 F221 T222 G226F109-I224 HydrophobicContact CE2-CD1 3.51Å; F109-I224 HydrophobicContact CE2-CG1 4.27Å; F109-I224 HydrophobicContact CZ-CD1 3.44Å; F109-I224 VanDerWaalsContact CZ-CD1 3.44Å; F220-I224 HydrophobicContact CE1-CG2 4.43Å; F220-I224 HydrophobicContact CE2-CG2 4.48Å; F220-I224 HydrophobicContact CZ-CG2 4.23Å; F220-I224 PolarHBondContact O-N 3.33Å; F221-I224 WeakPolarHBondContact O-CG1 3.39Å; F221-I224 PolarHBondContact O-N 3.22Å; T222-I224 PolarHBondContact O-N 3.43Å; I224-G226 VanDerWaalsContact C-N 3.31Å; I224-G226 PolarHBondContact O-N 2.92Å
225A97.9Very high98.1Very high40 Ų4044 Ų4433%0.33124%0.235SC..Iπ-helixtrans-84.4-3.3-173.200000113.7F221 T222 W227F221-A225 HydrophobicContact CD2-CB 4.31Å; F221-A225 HydrophobicContact CE1-CB 4.28Å; F221-A225 HydrophobicContact CE2-CB 3.83Å; F221-A225 HydrophobicContact CZ-CB 3.82Å; F221-A225 WeakPolarHBondContact O-CB 3.34Å; F221-A225 PolarHBondContact O-N 3.33Å; T222-A225 PolarHBondContact O-N 3.28Å; A225-W227 HydrophobicContact CB-CE3 4.07Å; A225-W227 HydrophobicContact CB-CZ3 3.81Å
226G97.6Very high98Very high51 Ų5151 Ų5153%0.52626%0.262SS..Iπ-helixtrans117.84.816900000116.3T222 I224 G228T222-G226 PolarHBondContact O-N 3.16Å; I224-G226 VanDerWaalsContact C-N 3.31Å; I224-G226 PolarHBondContact O-N 2.92Å; G226-G228 PolarHBondContact O-N 3.32Å
227W98.4Very high97.9Very high20 Ų2049.1 Ų49.18%0.07626%0.258CS..Iπ-helixtrans-74.9-13171.3-78.6-97.1000113.2I123 L131 T132 V133 T139 A140 F143 T222 A225 V231I123-W227 HydrophobicContact CG2-CH2 4.42Å; I123-W227 HydrophobicContact CG2-CZ2 4.2Å; L131-W227 VanDerWaalsContact C-CD1 3.44Å; L131-W227 HydrophobicContact CB-CD2 3.78Å; L131-W227 HydrophobicContact CB-CE3 4.25Å; L131-W227 HydrophobicContact CB-CG 4.01Å; L131-W227 HydrophobicContact CB-CZ2 4.19Å; L131-W227 HydrophobicContact CD1-CD2 4.31Å; L131-W227 HydrophobicContact CD1-CE3 3.94Å; L131-W227 HydrophobicContact CD1-CH2 3.98Å; L131-W227 HydrophobicContact CD1-CZ2 4.34Å; L131-W227 HydrophobicContact CD1-CZ3 3.75Å; L131-W227 HydrophobicContact CD2-CH2 3.91Å; L131-W227 HydrophobicContact CD2-CZ2 3.69Å; L131-W227 HydrophobicContact CG-CD2 4.49Å; L131-W227 HydrophobicContact CG-CH2 4.38Å; L131-W227 HydrophobicContact CG-CZ2 4.27Å; T132-W227 VanDerWaalsContact O-CD1 3.29Å; T132-W227 PolarHBondContact O-NE1 3.33Å; V133-W227 HydrophobicContact CG2-CB 4.3Å; T139-W227 WeakPolarHBondContact OG1-CZ2 3.38Å; T139-W227 PolarHBondContact OG1-NE1 2.88Å; A140-W227 HydrophobicContact CB-CG 4.26Å; F143-W227 AromaticContact CE2-CH2 3.85Å; F143-W227 HydrophobicContact CE2-CH2 3.85Å; F143-W227 AromaticContact CE2-CZ2 3.97Å; F143-W227 HydrophobicContact CE2-CZ2 3.97Å; T222-W227 HydrophobicContact CG2-CD2 4.09Å; T222-W227 HydrophobicContact CG2-CE3 3.98Å; T222-W227 HydrophobicContact CG2-CZ3 4.32Å; T222-W227 WeakPolarHBondContact O-CB 3.26Å; T222-W227 PolarHBondContact O-N 3.31Å; T222-W227 VanDerWaalsContact O-N 3.11Å; A225-W227 HydrophobicContact CB-CE3 4.07Å; A225-W227 HydrophobicContact CB-CZ3 3.81Å; W227-V231 HydrophobicContact CB-CG1 3.6Å
228G97.5Very high97.9Very high26 Ų2649 Ų4927%0.26826%0.257SS..  trans78.4-170.3174.100000114.4G226 D230 V231G226-G228 PolarHBondContact O-N 3.32Å; G228-D230 PolarHBondContact O-N 2.96Å; G228-V231 WeakPolarHBondContact O-CG2 3.47Å; G228-V231 PolarHBondContact O-N 2.92Å
229D97.8Very high97.8Very high70 Ų7053.3 Ų53.337%0.37427%0.273SS..THydrogen-bonded Turntrans-69-16.4-177.255.9-39.6000113.8V231 F232 R233D229-V231 PolarHBondContact O-N 3.29Å; D229-V231 VanDerWaalsContact O-N 3.14Å; D229-F232 PolarHBondContact O-N 2.93Å; D229-R233 PolarHBondContact O-N 3.13Å; D229-R233 IonicContact OD2-CZ 2.81Å; D229-R233 IonicContact OD2-NE 3.47Å; D229-R233 PolarHBondContact OD2-NE 3.46Å; D229-R233 IonicContact OD2-NH1 2.66Å; D229-R233 PolarHBondContact OD2-NH1 3.23Å; D229-R233 IonicContact OD2-NH2 3.02Å; D229-R233 PolarHBondContact OD2-NH2 3.44Å
230D97.6Very high97.8Very high81 Ų8157.9 Ų57.943%0.43329%0.29SS..Hα-helixtrans-59.2-25.2176.4-76.9-18.3000113V133 G228 F232 R233 A234V133-D230 HydrophobicContact CB-CB 4.16Å; V133-D230 HydrophobicContact CG2-CB 3.7Å; G228-D230 PolarHBondContact O-N 2.96Å; D230-F232 PolarHBondContact O-N 3.08Å; D230-F232 VanDerWaalsContact O-N 3.1Å; D230-R233 PolarHBondContact O-N 3.34Å; D230-A234 WeakPolarHBondContact O-CB 3.28Å; D230-A234 PolarHBondContact O-N 3Å
231V98.4Very high97.8Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-61.6-21.2175-53.70000112.5V133 Y146 R219 Y223 W227 G228 D229V133-V231 HydrophobicContact CG2-CG1 3.71Å; Y146-V231 WeakPolarHBondContact OH-CA 3.28Å; Y146-V231 WeakPolarHBondContact OH-CB 3.24Å; R219-V231 WeakPolarHBondContact CD-O 3.37Å; R219-V231 HydrophobicContact CG-CB 4.14Å; R219-V231 HydrophobicContact CG-CG2 4.09Å; R219-V231 PolarHBondContact NH1-O 3.07Å; Y223-V231 HydrophobicContact CD2-CG2 4.31Å; W227-V231 HydrophobicContact CB-CG1 3.6Å; G228-V231 WeakPolarHBondContact O-CG2 3.47Å; G228-V231 PolarHBondContact O-N 2.92Å; D229-V231 PolarHBondContact O-N 3.29Å; D229-V231 VanDerWaalsContact O-N 3.14Å
232F98.4Very high97.8Very high48 Ų4852.4 Ų52.421%0.21127%0.267CS..Hα-helixtrans-106.2-7175.1-62.9-71.7000113.4F216 R219 Y223 D229 D230 W239F216-F232 HydrophobicContact CE2-CE1 4.19Å; R219-F232 VanDerWaalsContact CD-CE1 3.44Å; R219-F232 HydrophobicContact CG-CD1 4.25Å; R219-F232 HydrophobicContact CG-CE1 3.79Å; R219-F232 HydrophobicContact CG-CZ 4.09Å; Y223-F232 HydrophobicContact CD1-CE2 4.43Å; Y223-F232 HydrophobicContact CD2-CD2 4.11Å; Y223-F232 AromaticContact CD2-CE2 3.85Å; Y223-F232 HydrophobicContact CD2-CE2 3.85Å; Y223-F232 HydrophobicContact CG-CD2 4.47Å; Y223-F232 AromaticContact CG-CE2 3.76Å; Y223-F232 HydrophobicContact CG-CE2 3.76Å; D229-F232 PolarHBondContact O-N 2.93Å; D230-F232 PolarHBondContact O-N 3.08Å; D230-F232 VanDerWaalsContact O-N 3.1Å; F232-W239 HydrophobicContact CB-CG 4.4Å; F232-W239 HydrophobicContact CD1-CB 3.76Å; F232-W239 AromaticContact CD1-CD2 4Å; F232-W239 HydrophobicContact CD1-CD2 4Å; F232-W239 HydrophobicContact CD1-CE3 4.43Å; F232-W239 AromaticContact CD1-CG 3.69Å; F232-W239 HydrophobicContact CD1-CG 3.69Å; F232-W239 HydrophobicContact CE1-CB 4.45Å
233R97.6Very high97.8Very high164 Ų16455.4 Ų55.462%0.61928%0.282SS*.Hα-helixtrans-104.3-31.2179.6-65.3-178.6171.3162.67.8113.5D229 D230 G237D229-R233 PolarHBondContact O-N 3.13Å; D229-R233 IonicContact OD2-CZ 2.81Å; D229-R233 IonicContact OD2-NE 3.47Å; D229-R233 PolarHBondContact OD2-NE 3.46Å; D229-R233 IonicContact OD2-NH1 2.66Å; D229-R233 PolarHBondContact OD2-NH1 3.23Å; D229-R233 IonicContact OD2-NH2 3.02Å; D229-R233 PolarHBondContact OD2-NH2 3.44Å; D230-R233 PolarHBondContact O-N 3.34Å; R233-G237 PolarHBondContact O-N 2.87Å
234A97.1Very high97.8Very high16 Ų1653.1 Ų53.113%0.13228%0.279CS..Hα-helixtrans-57.1150.8-178.900000112.4V133 T134 Y146 D230 R236 G237 W238V133-A234 HydrophobicContact CG1-CB 3.55Å; T134-A234 HydrophobicContact CG2-CB 4.3Å; Y146-A234 HydrophobicContact CD1-CB 3.86Å; Y146-A234 HydrophobicContact CE1-CB 3.89Å; D230-A234 WeakPolarHBondContact O-CB 3.28Å; D230-A234 PolarHBondContact O-N 3Å; A234-R236 VanDerWaalsContact C-N 3.3Å; A234-R236 PolarHBondContact O-N 3.47Å; A234-G237 PolarHBondContact O-N 2.7Å; A234-W238 WeakPolarHBondContact O-CB 3.28Å; A234-W238 PolarHBondContact O-N 3.11Å
235G95.3Very high97.8Very high27 Ų2748.5 Ų48.528%0.27826%0.256SS..Hα-helixtrans66.727.6-178.400000114.3L153L153-G235 WeakPolarHBondContact CD2-O 3.34Å
236R96.1Very high97.8Very high151 Ų15146.6 Ų46.657%0.5724%0.24SC*.Hα-helixtrans61.744.8-172.7-57.7168.2-67.6-149.4-15.4112.3L151 S152 L153 A234L151-R236 PolarHBondContact O-NH2 3.32Å; S152-R236 VanDerWaalsContact CA-NH2 3.26Å; L153-R236 HydrophobicContact CD1-CB 3.75Å; L153-R236 WeakPolarHBondContact CD1-O 3.46Å; L153-R236 HydrophobicContact CD2-CB 4.43Å; L153-R236 HydrophobicContact CG-CB 4.08Å; A234-R236 VanDerWaalsContact C-N 3.3Å; A234-R236 PolarHBondContact O-N 3.47Å
237G96.3Very high97.9Very high15 Ų1545.6 Ų45.616%0.15523%0.225CC..Hα-helixtrans73.546.3-176.600000112.5R233 A234 W239 W240R233-G237 PolarHBondContact O-N 2.87Å; A234-G237 PolarHBondContact O-N 2.7Å; G237-W239 PolarHBondContact O-N 2.8Å; G237-W240 PolarHBondContact O-NE1 3.07Å; G237-W240 VanDerWaalsContact O-NE1 3.08Å
238W98.3Very high97.9Very high0 Ų048.1 Ų48.10%024%0.239CC..G310 helixtrans-59-29.4-174.9173.4-110.7000114.8T145 P147 L153 Q160 A234 W240 V241 P242T145-W238 PolarHBondContact O-NE1 3.47Å; T145-W238 PolarHBondContact OG1-NE1 2.98Å; P147-W238 HydrophobicContact CB-CD2 4.11Å; P147-W238 HydrophobicContact CB-CE3 3.94Å; P147-W238 HydrophobicContact CB-CZ3 4.14Å; P147-W238 VanDerWaalsContact CD-CG 3.47Å; P147-W238 HydrophobicContact CG-CB 4.19Å; P147-W238 HydrophobicContact CG-CD2 3.86Å; P147-W238 HydrophobicContact CG-CE3 3.86Å; P147-W238 HydrophobicContact CG-CG 4.02Å; L153-W238 HydrophobicContact CD2-CE3 4.27Å; Q160-W238 HydrophobicContact CG-CH2 4.18Å; Q160-W238 HydrophobicContact CG-CZ2 4.28Å; A234-W238 WeakPolarHBondContact O-CB 3.28Å; A234-W238 PolarHBondContact O-N 3.11Å; W238-W240 PolarHBondContact O-N 3.38Å; W238-V241 HydrophobicContact CD2-CB 4.25Å; W238-V241 HydrophobicContact CE3-CB 3.87Å; W238-V241 HydrophobicContact CE3-CG1 4.22Å; W238-V241 HydrophobicContact CE3-CG2 3.96Å; W238-V241 HydrophobicContact CH2-CB 4.08Å; W238-V241 HydrophobicContact CH2-CG1 3.58Å; W238-V241 HydrophobicContact CZ2-CB 4.43Å; W238-V241 HydrophobicContact CZ2-CG1 4.2Å; W238-V241 HydrophobicContact CZ3-CB 3.78Å; W238-V241 HydrophobicContact CZ3-CG1 3.59Å; W238-V241 HydrophobicContact CZ3-CG2 4.03Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 3.05Å; W238-P242 HydrophobicContact CZ2-CG 4.02Å; W238-P242 WeakPolarHBondContact O-CD 3.32Å
239W98.3Very high98Very high90 Ų9046.9 Ų46.934%0.34123%0.226SC..G310 helixtrans-50.8-30.7-167.872-85.3000116.2F232 G237 L243F232-W239 HydrophobicContact CB-CG 4.4Å; F232-W239 HydrophobicContact CD1-CB 3.76Å; F232-W239 AromaticContact CD1-CD2 4Å; F232-W239 HydrophobicContact CD1-CD2 4Å; F232-W239 HydrophobicContact CD1-CE3 4.43Å; F232-W239 AromaticContact CD1-CG 3.69Å; F232-W239 HydrophobicContact CD1-CG 3.69Å; F232-W239 HydrophobicContact CE1-CB 4.45Å; G237-W239 PolarHBondContact O-N 2.8Å; W239-L243 HydrophobicContact CZ3-CD2 4.02Å
240W98.4Very high98Very high96 Ų9643.5 Ų43.536%0.36421%0.208SC..G310 helixtrans-81.4-20.7-178.768-94.2000112.4F157 G237 W238 L243 V244F157-W240 AromaticContact CD2-CH2 3.95Å; F157-W240 HydrophobicContact CD2-CH2 3.95Å; F157-W240 AromaticContact CD2-CZ3 3.71Å; F157-W240 HydrophobicContact CD2-CZ3 3.71Å; F157-W240 HydrophobicContact CE2-CH2 4.31Å; F157-W240 AromaticContact CE2-CZ3 3.73Å; F157-W240 HydrophobicContact CE2-CZ3 3.73Å; G237-W240 PolarHBondContact O-NE1 3.07Å; G237-W240 VanDerWaalsContact O-NE1 3.08Å; W238-W240 PolarHBondContact O-N 3.38Å; W240-L243 WeakPolarHBondContact O-CB 3.31Å; W240-L243 PolarHBondContact O-N 3.08Å; W240-L243 VanDerWaalsContact O-N 3.17Å; W240-V244 HydrophobicContact CE3-CB 4.29Å; W240-V244 HydrophobicContact CE3-CG2 4.26Å; W240-V244 PolarHBondContact O-N 3.3Å
241V98.7Very high98Very high0 Ų042 Ų420%020%0.2CC..Hα-helixtrans-64.6-52.5-179.5176.30000110.5L153 F157 Q160 W238 L243 V244 A245 P246L153-V241 HydrophobicContact CD2-CG2 4.31Å; F157-V241 HydrophobicContact CB-CG1 4.18Å; F157-V241 HydrophobicContact CD2-CG1 4.2Å; Q160-V241 HydrophobicContact CB-CG1 4.46Å; Q160-V241 HydrophobicContact CG-CG1 4.2Å; W238-V241 HydrophobicContact CD2-CB 4.25Å; W238-V241 HydrophobicContact CE3-CB 3.87Å; W238-V241 HydrophobicContact CE3-CG1 4.22Å; W238-V241 HydrophobicContact CE3-CG2 3.96Å; W238-V241 HydrophobicContact CH2-CB 4.08Å; W238-V241 HydrophobicContact CH2-CG1 3.58Å; W238-V241 HydrophobicContact CZ2-CB 4.43Å; W238-V241 HydrophobicContact CZ2-CG1 4.2Å; W238-V241 HydrophobicContact CZ3-CB 3.78Å; W238-V241 HydrophobicContact CZ3-CG1 3.59Å; W238-V241 HydrophobicContact CZ3-CG2 4.03Å; W238-V241 WeakPolarHBondContact O-CB 3.4Å; W238-V241 PolarHBondContact O-N 3.05Å; V241-L243 PolarHBondContact O-N 3.05Å; V241-V244 PolarHBondContact O-N 3Å; V241-A245 HydrophobicContact CG1-CB 4.16Å; V241-A245 WeakPolarHBondContact O-CB 3.49Å; V241-A245 PolarHBondContact O-N 3.22Å; V241-P246 VanDerWaalsContact O-CD 3.27Å; V241-P246 WeakPolarHBondContact O-CD 3.48Å
242P98.3Very high98Very high0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-62.1-12.2173.1-25.136.5000115.4A209 P212 D215 W238 P246A209-P242 HydrophobicContact CB-CB 3.76Å; A209-P242 HydrophobicContact CB-CG 4.14Å; P212-P242 WeakPolarHBondContact CA-O 3.32Å; D215-P242 HydrophobicContact CB-CB 3.64Å; D215-P242 HydrophobicContact CB-CG 4.36Å; W238-P242 HydrophobicContact CZ2-CG 4.02Å; W238-P242 WeakPolarHBondContact O-CD 3.32Å; P242-P246 WeakPolarHBondContact O-CD 3.4Å; P242-P246 VanDerWaalsContact O-CG 3.27Å; P242-P246 WeakPolarHBondContact O-CG 3.33Å
243L98.3Very high98Very high62 Ų6242.5 Ų42.533%0.32521%0.207SC..Hα-helixtrans-89.1-41.2176.8-17858.3000111.7P212 W239 W240 V241 C247P212-L243 HydrophobicContact CB-CD1 3.74Å; W239-L243 HydrophobicContact CZ3-CD2 4.02Å; W240-L243 WeakPolarHBondContact O-CB 3.31Å; W240-L243 PolarHBondContact O-N 3.08Å; W240-L243 VanDerWaalsContact O-N 3.17Å; V241-L243 PolarHBondContact O-N 3.05Å; L243-C247 PolarHBondContact O-SG 3.48Å; L243-C247 VanDerWaalsContact O-SG 3.42Å
244V98.6Very high98Very high62 Ų6234.8 Ų34.838%0.37618%0.178SC..Hα-helixtrans-98.3-48.7-172179.60000112.7F157 W240 V241 C247 I248F157-V244 HydrophobicContact CE2-CG1 4.25Å; W240-V244 HydrophobicContact CE3-CB 4.29Å; W240-V244 HydrophobicContact CE3-CG2 4.26Å; W240-V244 PolarHBondContact O-N 3.3Å; V241-V244 PolarHBondContact O-N 3Å; V244-C247 WeakPolarHBondContact O-CB 3.43Å; V244-C247 PolarHBondContact O-N 2.65Å; V244-C247 VanDerWaalsContact O-N 3.16Å; V244-I248 HydrophobicContact CG1-CD1 4.06Å; V244-I248 PolarHBondContact O-N 2.99Å
245A98.8Very high98Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-60.4-41.5-175.900000112.9F157 Q160 V161 V241 C247 I248 G249F157-A245 HydrophobicContact CD1-CB 4.45Å; F157-A245 HydrophobicContact CD2-CB 3.7Å; F157-A245 HydrophobicContact CE2-CB 3.78Å; F157-A245 HydrophobicContact CG-CB 4.07Å; F157-A245 HydrophobicContact CZ-CB 4.24Å; Q160-A245 HydrophobicContact CB-CB 3.58Å; V161-A245 HydrophobicContact CG2-CB 3.86Å; V241-A245 HydrophobicContact CG1-CB 4.16Å; V241-A245 WeakPolarHBondContact O-CB 3.49Å; V241-A245 PolarHBondContact O-N 3.22Å; A245-C247 VanDerWaalsContact C-N 3.31Å; A245-C247 PolarHBondContact O-N 3.21Å; A245-I248 PolarHBondContact O-N 2.97Å; A245-G249 PolarHBondContact O-N 2.91Å
246P98.8Very high98.1Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-60.7-36.8175.5-31.941.5000114.2A81 Q160 T164 P212 V241 P242 I248 G249 G250A81-P246 HydrophobicContact CB-CB 4.16Å; A81-P246 WeakPolarHBondContact CB-O 3.42Å; Q160-P246 HydrophobicContact CB-CG 4.48Å; T164-P246 HydrophobicContact CG2-CB 3.92Å; T164-P246 WeakPolarHBondContact CG2-O 3.48Å; T164-P246 WeakPolarHBondContact OG1-CA 3.46Å; T164-P246 WeakPolarHBondContact OG1-CB 3.5Å; P212-P246 HydrophobicContact CG-CB 4.25Å; V241-P246 VanDerWaalsContact O-CD 3.27Å; V241-P246 WeakPolarHBondContact O-CD 3.48Å; P242-P246 WeakPolarHBondContact O-CD 3.4Å; P242-P246 VanDerWaalsContact O-CG 3.27Å; P242-P246 WeakPolarHBondContact O-CG 3.33Å; P246-I248 VanDerWaalsContact C-N 3.34Å; P246-I248 PolarHBondContact O-N 3.22Å; P246-G249 PolarHBondContact O-N 3.47Å; P246-G250 PolarHBondContact O-N 2.87Å
247C98.7Very high98.2Very high30 Ų3033.1 Ų33.120%0.20317%0.17CC..Hα-helixtrans-62.6-42.9176-67.60000111.4L84 L243 V244 A245 L251L84-C247 HydrophobicContact CD2-CB 3.78Å; L243-C247 PolarHBondContact O-SG 3.48Å; L243-C247 VanDerWaalsContact O-SG 3.42Å; V244-C247 WeakPolarHBondContact O-CB 3.43Å; V244-C247 PolarHBondContact O-N 2.65Å; V244-C247 VanDerWaalsContact O-N 3.16Å; A245-C247 VanDerWaalsContact C-N 3.31Å; A245-C247 PolarHBondContact O-N 3.21Å; C247-L251 VanDerWaalsContact O-CG 3.3Å; C247-L251 WeakPolarHBondContact O-CG 3.35Å; C247-L251 PolarHBondContact O-N 3.27Å
248I98.8Very high98.2Very high72 Ų7234.3 Ų34.337%0.36917%0.172SC..Hα-helixtrans-68-47.3176.8-62.8169.5000110.5F157 V161 V244 A245 P246 G250 L251 V252F157-I248 HydrophobicContact CE1-CD1 4.39Å; F157-I248 HydrophobicContact CZ-CD1 3.66Å; V161-I248 HydrophobicContact CG2-CB 4.37Å; V161-I248 HydrophobicContact CG2-CG2 4.33Å; V244-I248 HydrophobicContact CG1-CD1 4.06Å; V244-I248 PolarHBondContact O-N 2.99Å; A245-I248 PolarHBondContact O-N 2.97Å; P246-I248 VanDerWaalsContact C-N 3.34Å; P246-I248 PolarHBondContact O-N 3.22Å; I248-G250 VanDerWaalsContact C-N 3.33Å; I248-G250 PolarHBondContact O-N 3.01Å; I248-L251 PolarHBondContact O-N 3.24Å; I248-V252 HydrophobicContact CG2-CG2 4.34Å; I248-V252 WeakPolarHBondContact O-CG2 3.16Å; I248-V252 PolarHBondContact O-N 3.04Å
249G98.7Very high98.1Very high0 Ų040.1 Ų40.10%020%0.2CC..Hα-helixtrans-57.2-46177.300000112.2V161 A165 A245 P246 L251 V252 G253V161-G249 WeakPolarHBondContact O-CA 3.1Å; A165-G249 WeakPolarHBondContact CA-O 3.42Å; A165-G249 VanDerWaalsContact CB-O 3.29Å; A165-G249 WeakPolarHBondContact CB-O 3.42Å; A165-G249 PolarHBondContact N-O 3.37Å; A245-G249 PolarHBondContact O-N 2.91Å; P246-G249 PolarHBondContact O-N 3.47Å; G249-L251 PolarHBondContact O-N 3.29Å; G249-V252 PolarHBondContact O-N 3.37Å; G249-G253 PolarHBondContact O-N 3.31Å
250G98.6Very high98Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-57-48.617700000112.4S85 P246 I248 V252 G253 T254S85-G250 VanDerWaalsContact OG-C 3.28Å; P246-G250 PolarHBondContact O-N 2.87Å; I248-G250 VanDerWaalsContact C-N 3.33Å; I248-G250 PolarHBondContact O-N 3.01Å; G250-V252 PolarHBondContact O-N 3.41Å; G250-G253 PolarHBondContact O-N 3.45Å; G250-T254 VanDerWaalsContact O-CB 3.29Å; G250-T254 WeakPolarHBondContact O-CB 3.49Å; G250-T254 PolarHBondContact O-N 3.28Å; G250-T254 PolarHBondContact O-OG1 2.82Å; G250-T254 VanDerWaalsContact O-OG1 3.07Å
251L98.4Very high97.9Very high49 Ų4939.3 Ų39.326%0.25721%0.211SC..Hα-helixtrans-61.2-43.7176.3-66.5174.6000112.4L84 V88 C247 I248 G249 T254 L255L84-L251 HydrophobicContact CD2-CD1 4.37Å; L84-L251 HydrophobicContact CG-CD2 4.48Å; V88-L251 HydrophobicContact CB-CD2 3.82Å; V88-L251 HydrophobicContact CG1-CD2 4.1Å; V88-L251 HydrophobicContact CG2-CD2 3.54Å; C247-L251 VanDerWaalsContact O-CG 3.3Å; C247-L251 WeakPolarHBondContact O-CG 3.35Å; C247-L251 PolarHBondContact O-N 3.27Å; I248-L251 PolarHBondContact O-N 3.24Å; G249-L251 PolarHBondContact O-N 3.29Å; L251-T254 PolarHBondContact O-N 2.84Å; L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 3.4Å
252V98.5Very high97.6Very high59 Ų5940.3 Ų40.336%0.35822%0.215SC..Hα-helixtrans-62.1-49.9177.51700000111A165 I248 G249 G250 T254 L255 I256A165-V252 HydrophobicContact CB-CG1 4.45Å; I248-V252 HydrophobicContact CG2-CG2 4.34Å; I248-V252 WeakPolarHBondContact O-CG2 3.16Å; I248-V252 PolarHBondContact O-N 3.04Å; G249-V252 PolarHBondContact O-N 3.37Å; G250-V252 PolarHBondContact O-N 3.41Å; V252-T254 VanDerWaalsContact C-N 3.29Å; V252-T254 PolarHBondContact O-N 3.14Å; V252-L255 PolarHBondContact O-N 2.99Å; V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.42Å; V252-I256 VanDerWaalsContact O-CG1 3.24Å; V252-I256 WeakPolarHBondContact O-CG1 3.46Å; V252-I256 PolarHBondContact O-N 3.4Å
253G98.3Very high97.4Very high0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-60.8-40.1178.900000112.5A165 G249 G250 I256 Y257A165-G253 WeakPolarHBondContact O-CA 3.43Å; G249-G253 PolarHBondContact O-N 3.31Å; G250-G253 PolarHBondContact O-N 3.45Å; G253-I256 PolarHBondContact O-N 3.37Å; G253-Y257 PolarHBondContact O-N 2.85Å; G253-Y257 VanDerWaalsContact O-N 3.08Å
254T97.3Very high97.2Very high2 Ų248.7 Ų48.71%0.01226%0.26CS..Hα-helixtrans-60.9-52.1173.4-72.10000112.4L89 L172 G250 L251 V252 I256 Y257 E258L89-T254 HydrophobicContact CD1-CG2 3.43Å; L89-T254 VanDerWaalsContact CD1-CG2 3.43Å; L89-T254 HydrophobicContact CD2-CG2 3.5Å; L89-T254 HydrophobicContact CG-CG2 3.48Å; L89-T254 VanDerWaalsContact CG-CG2 3.48Å; L172-T254 HydrophobicContact CD1-CG2 3.9Å; G250-T254 VanDerWaalsContact O-CB 3.29Å; G250-T254 WeakPolarHBondContact O-CB 3.49Å; G250-T254 PolarHBondContact O-N 3.28Å; G250-T254 PolarHBondContact O-OG1 2.82Å; G250-T254 VanDerWaalsContact O-OG1 3.07Å; L251-T254 PolarHBondContact O-N 2.84Å; V252-T254 VanDerWaalsContact C-N 3.29Å; V252-T254 PolarHBondContact O-N 3.14Å; T254-I256 VanDerWaalsContact C-N 3.29Å; T254-I256 PolarHBondContact O-N 3.46Å; T254-Y257 PolarHBondContact O-N 3.01Å; T254-E258 HydrophobicContact CG2-CG 4.43Å; T254-E258 VanDerWaalsContact O-CG 3.31Å; T254-E258 WeakPolarHBondContact O-CG 3.46Å; T254-E258 PolarHBondContact O-N 3.5Å
255L96.9Very high96.9Very high84 Ų8447.5 Ų47.544%0.4425%0.25SC..Hα-helixtrans-61.1-38.4179.2-70.5172.1000112.2L251 V252 E258 M259L251-L255 WeakPolarHBondContact O-CB 3.24Å; L251-L255 VanDerWaalsContact O-CG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.27Å; L251-L255 PolarHBondContact O-N 3.4Å; V252-L255 PolarHBondContact O-N 2.99Å; L255-E258 PolarHBondContact O-N 2.79Å; L255-M259 WeakPolarHBondContact O-CB 3.49Å; L255-M259 VanDerWaalsContact O-CG 3.29Å; L255-M259 WeakPolarHBondContact O-CG 3.37Å; L255-M259 PolarHBondContact O-N 3.43Å
256I98Very high96.3Very high70 Ų7051.7 Ų51.736%0.35929%0.285SS..Hα-helixtrans-60.2-47.7175.6-70.9167.9000110.6L169 V252 G253 T254 L260L169-I256 HydrophobicContact CD1-CG2 3.84Å; V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.42Å; V252-I256 VanDerWaalsContact O-CG1 3.24Å; V252-I256 WeakPolarHBondContact O-CG1 3.46Å; V252-I256 PolarHBondContact O-N 3.4Å; G253-I256 PolarHBondContact O-N 3.37Å; T254-I256 VanDerWaalsContact C-N 3.29Å; T254-I256 PolarHBondContact O-N 3.46Å; I256-L260 HydrophobicContact CG2-CD1 3.88Å; I256-L260 HydrophobicContact CG2-CG 4.47Å; I256-L260 VanDerWaalsContact O-CB 3.28Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 WeakPolarHBondContact O-CG 3.35Å; I256-L260 PolarHBondContact O-N 3.31Å
257Y97.6Very high95.2Very high5 Ų557.2 Ų57.22%0.0232%0.323CS..Hα-helixtrans-63.2-46.2-180-175.2-100.9000112.1L169 L172 A173 D176 N179 G253 T254 M259 V261 E262L169-Y257 HydrophobicContact CG-CD2 4.46Å; L172-Y257 HydrophobicContact CB-CD1 3.56Å; L172-Y257 HydrophobicContact CB-CE1 3.93Å; L172-Y257 HydrophobicContact CB-CG 3.94Å; L172-Y257 HydrophobicContact CD1-CD1 4.09Å; L172-Y257 HydrophobicContact CD1-CG 4.36Å; L172-Y257 HydrophobicContact CG-CD1 4.45Å; A173-Y257 HydrophobicContact CB-CD2 4.21Å; A173-Y257 HydrophobicContact CB-CE2 3.55Å; D176-Y257 HydrophobicContact CB-CE1 4.23Å; D176-Y257 VanDerWaalsContact CB-OH 3.28Å; D176-Y257 WeakPolarHBondContact CB-OH 3.48Å; D176-Y257 PolarHBondContact OD2-OH 3.38Å; N179-Y257 PolarHBondContact ND2-OH 2.89Å; G253-Y257 PolarHBondContact O-N 2.85Å; G253-Y257 VanDerWaalsContact O-N 3.08Å; T254-Y257 PolarHBondContact O-N 3.01Å; Y257-M259 PolarHBondContact O-N 3.29Å; Y257-V261 HydrophobicContact CD2-CB 4.04Å; Y257-V261 HydrophobicContact CD2-CG2 4.03Å; Y257-V261 HydrophobicContact CE2-CB 3.74Å; Y257-V261 HydrophobicContact CE2-CG1 3.75Å; Y257-V261 HydrophobicContact CE2-CG2 3.95Å; Y257-V261 WeakPolarHBondContact O-CA 3.29Å; Y257-V261 WeakPolarHBondContact O-CB 3.4Å; Y257-V261 PolarHBondContact O-N 3.1Å; Y257-E262 HydrophobicContact CD1-CB 4.39Å; Y257-E262 HydrophobicContact CE1-CB 4.16Å; Y257-E262 PolarHBondContact O-N 2.88Å; Y257-E262 VanDerWaalsContact O-N 3.11Å
258E95.3Very high93.6Very high40 Ų4059.5 Ų59.519%0.18733%0.333CS..Hα-helixtrans-60.9-47-179.6-66.4-74.6169.300111.8L89 R91 T254 L255 E262 V263L89-E258 WeakPolarHBondContact CD1-OE1 3.3Å; L89-E258 HydrophobicContact CD2-CG 3.69Å; L89-E258 VanDerWaalsContact CD2-OE1 3.32Å; L89-E258 WeakPolarHBondContact CD2-OE1 3.31Å; R91-E258 IonicContact CZ-OE1 3.25Å; R91-E258 VanDerWaalsContact CZ-OE1 3.25Å; R91-E258 IonicContact NE-OE1 3.99Å; R91-E258 IonicContact NH1-OE1 3.63Å; R91-E258 IonicContact NH2-OE1 2.69Å; R91-E258 PolarHBondContact NH2-OE1 2.9Å; R91-E258 IonicContact NH2-OE2 3.6Å; T254-E258 HydrophobicContact CG2-CG 4.43Å; T254-E258 VanDerWaalsContact O-CG 3.31Å; T254-E258 WeakPolarHBondContact O-CG 3.46Å; T254-E258 PolarHBondContact O-N 3.5Å; L255-E258 PolarHBondContact O-N 2.79Å; E258-E262 VanDerWaalsContact CD-OE2 3.26Å; E258-E262 PolarHBondContact O-N 3.25Å; E258-E262 VanDerWaalsContact OE1-OE2 3.04Å; E258-V263 WeakPolarHBondContact O-CB 3.34Å; E258-V263 WeakPolarHBondContact O-CG1 3.43Å; E258-V263 PolarHBondContact O-N 3.22Å
259M96.4Very high91.6Very high122 Ų12259.2 Ų59.260%0.60134%0.337SS*.Hα-helixtrans-74.5-32.6-176.2-69.8-176.3-178.300113.7L255 Y257 V263 H264L255-M259 WeakPolarHBondContact O-CB 3.49Å; L255-M259 VanDerWaalsContact O-CG 3.29Å; L255-M259 WeakPolarHBondContact O-CG 3.37Å; L255-M259 PolarHBondContact O-N 3.43Å; Y257-M259 PolarHBondContact O-N 3.29Å; M259-V263 WeakPolarHBondContact O-CG1 3.5Å; M259-H264 PolarHBondContact O-NE2 2.94Å
260L97.3Very high89.7Confident120 Ų12064.9 Ų64.963%0.62837%0.374SS*.Hα-helixtrans-101-17-173.7-59.7-173.1000114I256 H264I256-L260 HydrophobicContact CG2-CD1 3.88Å; I256-L260 HydrophobicContact CG2-CG 4.47Å; I256-L260 VanDerWaalsContact O-CB 3.28Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 WeakPolarHBondContact O-CG 3.35Å; I256-L260 PolarHBondContact O-N 3.31Å; L260-H264 PolarHBondContact O-CD2 3.2Å
261V96.2Very high87.7Confident48 Ų4873.6 Ų73.629%0.29142%0.415SS..THydrogen-bonded Turntrans-127.9-62.2-177.4-175.20000110.5Y257 V263 H264Y257-V261 HydrophobicContact CD2-CB 4.04Å; Y257-V261 HydrophobicContact CD2-CG2 4.03Å; Y257-V261 HydrophobicContact CE2-CB 3.74Å; Y257-V261 HydrophobicContact CE2-CG1 3.75Å; Y257-V261 HydrophobicContact CE2-CG2 3.95Å; Y257-V261 WeakPolarHBondContact O-CA 3.29Å; Y257-V261 WeakPolarHBondContact O-CB 3.4Å; Y257-V261 PolarHBondContact O-N 3.1Å; V261-V263 PolarHBondContact O-N 3.37Å; V261-H264 PolarHBondContact O-N 3.14Å
262E92.3Very high85.6Confident21 Ų2176.3 Ų76.310%0.09843%0.43CS..G310 helixtrans-66.3-37.7-165.4-167.7165.9168.400113.4R91 R178 Y257 E258 H264 H265R91-E262 IonicContact CZ-OE1 3.75Å; R91-E262 IonicContact CZ-OE2 3.48Å; R91-E262 IonicContact NH1-OE2 3.34Å; R91-E262 PolarHBondContact NH1-OE2 3.31Å; R91-E262 IonicContact NH2-OE1 2.79Å; R91-E262 PolarHBondContact NH2-OE1 3.32Å; R91-E262 IonicContact NH2-OE2 2.74Å; R91-E262 PolarHBondContact NH2-OE2 3.5Å; R178-E262 IonicContact CZ-OE1 2.8Å; R178-E262 IonicContact NH2-OE1 3.47Å; R178-E262 PolarHBondContact NH2-OE1 3.2Å; Y257-E262 HydrophobicContact CD1-CB 4.39Å; Y257-E262 HydrophobicContact CE1-CB 4.16Å; Y257-E262 PolarHBondContact O-N 2.88Å; Y257-E262 VanDerWaalsContact O-N 3.11Å; E258-E262 VanDerWaalsContact CD-OE2 3.26Å; E258-E262 PolarHBondContact O-N 3.25Å; E258-E262 VanDerWaalsContact OE1-OE2 3.04Å; E262-H264 PolarHBondContact O-N 3.36Å; E262-H265 PolarHBondContact O-N 2.89Å
263V94.3Very high83.2Confident102 Ų10279.6 Ų79.662%0.61844%0.441SS*.G310 helixtrans-67.1-17.1176.1740000113.2E258 M259 V261E258-V263 WeakPolarHBondContact O-CB 3.34Å; E258-V263 WeakPolarHBondContact O-CG1 3.43Å; E258-V263 PolarHBondContact O-N 3.22Å; M259-V263 WeakPolarHBondContact O-CG1 3.5Å; V261-V263 PolarHBondContact O-N 3.37Å
264H94.1Very high80.7Confident137 Ų13784.5 Ų84.563%0.63447%0.473SS*.G310 helixtrans-97.61.8-179.2-63.2-47.3000113.6M259 L260 V261 E262M259-H264 PolarHBondContact O-NE2 2.94Å; L260-H264 PolarHBondContact O-CD2 3.2Å; V261-H264 PolarHBondContact O-N 3.14Å; E262-H264 PolarHBondContact O-N 3.36Å
265H92.4Very high77.9Confident36 Ų3689.3 Ų89.317%0.16751%0.507CS..SBendtrans-60.6141.4170.6-70.4157.1000111.4D176 R178 E262 S267D176-H265 IonicContact OD1-CE1 3.98Å; D176-H265 IonicContact OD2-CE1 2.79Å; D176-H265 PolarHBondContact OD2-CE1 3.39Å; D176-H265 IonicContact OD2-ND1 3.64Å; R178-H265 HydrophobicContact CB-CB 4.46Å; R178-H265 WeakPolarHBondContact CB-ND1 3.42Å; E262-H265 PolarHBondContact O-N 2.89Å; H265-S267 PolarHBondContact O-N 3.35Å
266A85.9Confident75.1Confident89 Ų8991.3 Ų91.374%0.73653%0.526SS*.PPolyproline II helixtrans-56135.9174.600000109.6L268A266-L268 PolarHBondContact O-N 3.37Å
267S74.8Confident72.3Confident116 Ų11696.5 Ų96.581%0.81155%0.549SS*.PPolyproline II helixtrans-57.7129.117340.70000109.4H265 S269H265-S267 PolarHBondContact O-N 3.35Å; S267-S269 PolarHBondContact O-N 2.99Å
268L66.3Low69.4Low77 Ų77104.2 Ų104.240%0.40359%0.585SS.*PPolyproline II helixtrans-55.9136.8175.1-67.1167.8000109.4A266 D272 Q273A266-L268 PolarHBondContact O-N 3.37Å; L268-D272 HydrophobicContact CB-CB 4.26Å; L268-D272 HydrophobicContact CD2-CB 4.11Å; L268-Q273 HydrophobicContact CB-CG 4.3Å
269S57.1Low66.6Low67 Ų67108.6 Ų108.647%0.46962%0.615SS.*PPolyproline II helixtrans-52.3147.6165.9-60.60000109S267 E271 D272S267-S269 PolarHBondContact O-N 2.99Å; S269-E271 PolarHBondContact O-N 2.89Å; S269-D272 PolarHBondContact O-N 3.44Å
270P57.5Low63.6Low119 Ų119108.7 Ų108.777%0.77362%0.623SS**THydrogen-bonded Turntrans-53.2-24.1179.1-25.433.2000113.9
271E56.4Low60.7Low182 Ų182110 Ų11085%0.8563%0.625SS**THydrogen-bonded Turntrans-75-22178.1-64.1175.116900113.8S269S269-E271 PolarHBondContact O-N 2.89Å
272D55.6Low57.8Low106 Ų106110.6 Ų110.657%0.56764%0.635SS**SBendtrans-105.33.4-176.9-66.2-45.3000113.2L268 S269 P274L268-D272 HydrophobicContact CB-CB 4.26Å; L268-D272 HydrophobicContact CD2-CB 4.11Å; S269-D272 PolarHBondContact O-N 3.44Å; D272-P274 WeakPolarHBondContact O-CD 3.4Å
273Q46.9Very low55.2Low129 Ų129117.5 Ų117.560%0.60367%0.665SS**SBendtrans-73.8124.7176.2-69.9-170.22.600110.5L268 S275L268-Q273 HydrophobicContact CB-CG 4.3Å; Q273-S275 PolarHBondContact O-N 2.85Å
274P46.3Very low52.3Low103 Ų103115.9 Ų115.967%0.66966%0.658SS**  trans-62.6122.8164.624.9-29.4000108D272 C276D272-P274 WeakPolarHBondContact O-CD 3.4Å; P274-C276 PolarHBondContact O-N 3.11Å
275S37.8Very low49.6Very low103 Ų103115.2 Ų115.272%0.7266%0.659SS**  trans-58.194.7-174.555.40000111.7Q273 Q277Q273-S275 PolarHBondContact O-N 2.85Å; S275-Q277 PolarHBondContact O-N 3.11Å
276C39.1Very low47.1Very low126 Ų126121.2 Ų121.285%0.85169%0.687SS**  trans-79.851167.9-75.70000110.6P274P274-C276 PolarHBondContact O-N 3.11Å
277Q38.7Very low44.9Very low178 Ų178124.4 Ų124.483%0.83269%0.691SS**  trans-152.986.9172.3-76-170.3-25.400109S275S275-Q277 PolarHBondContact O-N 3.11Å
278E37.2Very low43.2Very low167 Ų167127.8 Ų127.878%0.7869%0.691SS**SBendtrans-158.40.2158.8-119.1175.8-15400115.5
279T35.3Very low41.8Very low133 Ų133127.3 Ų127.382%0.81670%0.704SS**SBendtrans-96.1-7.4-176.9-9.50000115.4
280T35.3Very low40.9Very low124 Ų124130.4 Ų130.476%0.76172%0.72SS**SBendtrans-103.3-31.7-176.9-37.50000113.3S284T280-S284 PolarHBondContact O-OG 3.47Å
281E35Very low40Very low146 Ų146133.5 Ų133.568%0.68272%0.724SS**Hα-helixtrans-75.6-28.9-178.1-76.1-169.8149.900113.9K283 S284 L285E281-K283 VanDerWaalsContact C-N 3.28Å; E281-K283 PolarHBondContact O-N 3.33Å; E281-S284 WeakPolarHBondContact CA-OG 3.32Å; E281-S284 PolarHBondContact O-N 3.43Å; E281-S284 PolarHBondContact O-OG 3.33Å; E281-L285 PolarHBondContact O-N 3.47Å
282A34.9Very low39.1Very low61 Ų61130.3 Ų130.350%0.50472%0.719SS.*Hα-helixtrans-63.4-30.6179.900000113.1
283K38.1Very low38.1Very low166 Ų166131.1 Ų131.172%0.72273%0.733SS**Hα-helixtrans-80-25177.8-87.7-178174.9177.50114E281E281-K283 VanDerWaalsContact C-N 3.28Å; E281-K283 PolarHBondContact O-N 3.33Å
284S33.7Very low37.8Very low68 Ų68131.6 Ų131.648%0.47675%0.745SS.*Hα-helixtrans-81.8-24.917733.70000113.4T280 E281T280-S284 PolarHBondContact O-OG 3.47Å; E281-S284 WeakPolarHBondContact CA-OG 3.32Å; E281-S284 PolarHBondContact O-N 3.43Å; E281-S284 PolarHBondContact O-OG 3.33Å
285L37.8Very low37.3Very low124 Ų124129.8 Ų129.865%0.64975%0.745SS**Hα-helixtrans-83.2-32.7178.4-84.1151.7000112.9E281 L287 K288E281-L285 PolarHBondContact O-N 3.47Å; L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 3Å; L285-K288 PolarHBondContact O-N 3.23Å
286E39.4Very low37.1Very low162 Ų162135 Ų13576%0.75776%0.755SS**Hα-helixtrans-68.9-24.6177.1-77-168.2155.800113.9
287L39.4Very low37.1Very low156 Ų156135.2 Ų135.282%0.81776%0.758SS**THydrogen-bonded Turntrans-82-11.7178-102.5104.5000114.9L285L285-L287 VanDerWaalsContact C-N 3.31Å; L285-L287 PolarHBondContact O-N 3Å
288K38.9Very low37Very low187 Ų187135.1 Ų135.181%0.81379%0.788SS**THydrogen-bonded Turntrans-96.2-4.1179.8-77.2-175.8175.91790114.1L285L285-K288 PolarHBondContact O-N 3.23Å
289G37.8Very low37Very low66 Ų66133.6 Ų133.668%0.6879%0.788SS**SBendtrans-96.94.7-169.600000117.2
290V38.8Very low37.1Very low132 Ų132133.6 Ų133.680%0.879%0.787SS**  trans-120.385.1-176.6-171.40000110.8
291E38.2Very low37.2Very low185 Ų185134.1 Ų134.186%0.86479%0.788SS**  trans-100.6131.5154.4-78.9-171.6166.800109S293E291-S293 PolarHBondContact O-N 3.2Å
292P37.4Very low37.3Very low114 Ų114133.4 Ų133.474%0.7479%0.794SS**  trans-80.8119.1179.630.4-30.3000110.8V294P292-V294 PolarHBondContact O-N 3.25Å
293S35Very low37.5Very low123 Ų123137.9 Ų137.986%0.8681%0.812SS**  trans-70.9108.6169.950.60000110.5E291E291-S293 PolarHBondContact O-N 3.2Å
294V38.8Very low37.4Very low139 Ų139136.1 Ų136.184%0.84282%0.818SS**  trans-71.1130170.6175.40000109.3P292P292-V294 PolarHBondContact O-N 3.25Å
295G36.7Very low37.7Very low66 Ų66140.9 Ų140.968%0.6884%0.843SS**  trans-67157.8-176.100000115.3
296K34.6Very low37.7Very low211 Ų211142.2 Ų142.292%0.91786%0.858SS**  trans-139.5107.9157.9-76.9-173.4176.9177.10109
297S37.7Very low37.6Very low131 Ų131140.6 Ų140.692%0.91687%0.866SS**  trans-95.2130.1152.4-86.70000107.8
298A37.5Very low37.4Very low177 Ų177139.2 Ų139.2100%1.46387%0.871SS**  trans-122.20147.200000106.4

Retrieved 298 of 298 residues in 828.2 ms (Link to these results)

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