A0A087YGG9_POEFO Loading...

Limb and CNS expressed 1

AlphaFold DB , UniProt , Accession A0A087YGG9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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
1V75.2Confident91.9Very high160 Ų16054.1 Ų54.197%0.9730%0.3SS*.  01270-1770000109.3V3 I6V1-V3 HydrophobicContact CG1-CG2 4.37Å; V1-V3 PolarHBondContact O-N 3.15Å; V1-V3 VanDerWaalsContact O-N 3.11Å; V1-I6 HydrophobicContact CG1-CD1 3.51Å
2N91.3Very high91.7Very high113 Ų11358.7 Ų58.760%0.60432%0.317SS*.  trans-81.280.7178.1-178.17.7000110.7V4 G5 I6N2-V4 VanDerWaalsContact C-N 3.31Å; N2-V4 PolarHBondContact O-N 3.4Å; N2-G5 PolarHBondContact O-N 3.33Å; N2-G5 PolarHBondContact OD1-N 3.39Å; N2-G5 VanDerWaalsContact OD1-N 3.15Å; N2-I6 WeakPolarHBondContact O-CG1 3.47Å; N2-I6 PolarHBondContact O-N 3.41Å; N2-I6 VanDerWaalsContact O-N 3.15Å
3V94.6Very high91.5Very high15 Ų1564.2 Ų64.29%0.09134%0.34CS..Hα-helixtrans-63.6-36-175.3-179.80000112.6V1 I6 L7 A68 R69 L72V1-V3 HydrophobicContact CG1-CG2 4.37Å; V1-V3 PolarHBondContact O-N 3.15Å; V1-V3 VanDerWaalsContact O-N 3.11Å; V3-I6 PolarHBondContact O-N 3.39Å; V3-L7 PolarHBondContact O-N 3.48Å; V3-A68 HydrophobicContact CG1-CB 4.32Å; V3-R69 HydrophobicContact CG1-CB 3.95Å; V3-L72 HydrophobicContact CG1-CD2 4Å
4V94.7Very high91Very high19 Ų1963.2 Ų63.212%0.11533%0.331CS..Hα-helixtrans-60.4-50.5177.3176.80000109.7N2 I6 L7 H8 R64 R65 A68N2-V4 VanDerWaalsContact C-N 3.31Å; N2-V4 PolarHBondContact O-N 3.4Å; V4-I6 VanDerWaalsContact C-N 3.33Å; V4-I6 PolarHBondContact O-N 3.22Å; V4-L7 PolarHBondContact O-N 2.97Å; V4-H8 PolarHBondContact O-CD2 3.34Å; V4-H8 VanDerWaalsContact O-CD2 3.28Å; V4-H8 PolarHBondContact O-N 3.26Å; V4-H8 VanDerWaalsContact O-N 3.1Å; V4-R64 HydrophobicContact CG2-CG 4.43Å; V4-R65 HydrophobicContact CG2-CG 4.27Å; V4-A68 HydrophobicContact CG2-CB 3.82Å
5G94.3Very high90.2Very high19 Ų1963 Ų6320%0.19633%0.328CS..Hα-helixtrans-60.9-39177.400000113.5N2 L7 H8 N9N2-G5 PolarHBondContact O-N 3.33Å; N2-G5 PolarHBondContact OD1-N 3.39Å; N2-G5 VanDerWaalsContact OD1-N 3.15Å; G5-L7 PolarHBondContact O-N 3.38Å; G5-H8 PolarHBondContact O-N 3.04Å; G5-N9 WeakPolarHBondContact O-CB 3.45Å; G5-N9 PolarHBondContact O-N 3.17Å; G5-N9 PolarHBondContact O-OD1 3.22Å
6I95.9Very high89.3Confident75 Ų7566.6 Ų66.639%0.38535%0.354SS..Hα-helixtrans-63.8-41.7177.5-63.8165.6000111.3V1 N2 V3 V4 N9 F10 L72V1-I6 HydrophobicContact CG1-CD1 3.51Å; N2-I6 WeakPolarHBondContact O-CG1 3.47Å; N2-I6 PolarHBondContact O-N 3.41Å; N2-I6 VanDerWaalsContact O-N 3.15Å; V3-I6 PolarHBondContact O-N 3.39Å; V4-I6 VanDerWaalsContact C-N 3.33Å; V4-I6 PolarHBondContact O-N 3.22Å; I6-N9 PolarHBondContact O-N 3.39Å; I6-F10 WeakPolarHBondContact O-CB 3.35Å; I6-F10 PolarHBondContact O-N 2.71Å; I6-L72 HydrophobicContact CB-CD2 4.11Å; I6-L72 HydrophobicContact CG2-CD1 4.05Å; I6-L72 HydrophobicContact CG2-CD2 3.64Å
7L95.5Very high88.5Confident0 Ų067.2 Ų67.20%037%0.37CS..Hα-helixtrans-63.4-44.6177.2-179.365.8000112V3 V4 G5 F10 W11 L27 V43 L45 A68 A71 L72V3-L7 PolarHBondContact O-N 3.48Å; V4-L7 PolarHBondContact O-N 2.97Å; G5-L7 PolarHBondContact O-N 3.38Å; L7-F10 PolarHBondContact O-N 3.03Å; L7-W11 PolarHBondContact O-N 3.03Å; L7-W11 VanDerWaalsContact O-N 3.15Å; L7-L27 HydrophobicContact CD2-CD1 4.13Å; L7-L27 HydrophobicContact CD2-CD2 4.19Å; L7-L27 HydrophobicContact CG-CD1 3.77Å; L7-L27 HydrophobicContact CG-CD2 4.26Å; L7-V43 HydrophobicContact CD2-CG1 4.14Å; L7-L45 HydrophobicContact CD1-CD2 4.32Å; L7-A68 HydrophobicContact CD2-CB 4.23Å; L7-A71 HydrophobicContact CD1-CB 4.44Å; L7-A71 HydrophobicContact CD2-CB 3.79Å; L7-L72 HydrophobicContact CB-CB 4.37Å; L7-L72 HydrophobicContact CB-CD1 4.46Å; L7-L72 HydrophobicContact CD1-CB 3.99Å; L7-L72 HydrophobicContact CD1-CD1 4.16Å
8H93.8Very high87.3Confident47 Ų4770.8 Ų70.822%0.21838%0.384CS..Hα-helixtrans-58.5-52.4175.1-84.6-85.7000111.2V4 G5 F10 W11 E12 L27 Y29V4-H8 PolarHBondContact O-CD2 3.34Å; V4-H8 VanDerWaalsContact O-CD2 3.28Å; V4-H8 PolarHBondContact O-N 3.26Å; V4-H8 VanDerWaalsContact O-N 3.1Å; G5-H8 PolarHBondContact O-N 3.04Å; H8-F10 VanDerWaalsContact C-N 3.27Å; H8-F10 PolarHBondContact O-N 3.18Å; H8-W11 PolarHBondContact O-N 3.32Å; H8-W11 VanDerWaalsContact O-N 3.17Å; H8-E12 WeakPolarHBondContact O-CB 3.43Å; H8-E12 WeakPolarHBondContact O-CG 3.48Å; H8-E12 PolarHBondContact O-N 3.24Å; H8-L27 HydrophobicContact CB-CD1 4.36Å; H8-Y29 AromaticContact NE2-CE2 3.44Å; H8-Y29 WeakPolarHBondContact NE2-CE2 3.26Å
9N92.9Very high85.4Confident87 Ų8773.7 Ų73.747%0.46541%0.406SS..Hα-helixtrans-57.9-40179.7-68.8-7000112.3G5 I6 Q13G5-N9 WeakPolarHBondContact O-CB 3.45Å; G5-N9 PolarHBondContact O-N 3.17Å; G5-N9 PolarHBondContact O-OD1 3.22Å; I6-N9 PolarHBondContact O-N 3.39Å; N9-Q13 WeakPolarHBondContact O-CB 3.44Å; N9-Q13 VanDerWaalsContact O-CG 3.26Å; N9-Q13 WeakPolarHBondContact O-CG 3.43Å; N9-Q13 PolarHBondContact O-N 3.22Å
10F92.5Very high83.7Confident41 Ų4172.8 Ų72.818%0.1842%0.415CS..Hα-helixtrans-60.5-50177.4173.8-89.2000111.7I6 L7 H8 Q13 K14 L76 E79I6-F10 WeakPolarHBondContact O-CB 3.35Å; I6-F10 PolarHBondContact O-N 2.71Å; L7-F10 PolarHBondContact O-N 3.03Å; H8-F10 VanDerWaalsContact C-N 3.27Å; H8-F10 PolarHBondContact O-N 3.18Å; F10-Q13 PolarHBondContact O-N 3.11Å; F10-K14 HydrophobicContact CE1-CD 4.28Å; F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 3.15Å; F10-K14 VanDerWaalsContact O-N 3.07Å; F10-L76 HydrophobicContact CD2-CD2 3.79Å; F10-L76 HydrophobicContact CE2-CD2 3.7Å; F10-E79 HydrophobicContact CE2-CG 4.26Å; F10-E79 HydrophobicContact CZ-CG 3.76Å
11W90.6Very high82.2Confident19 Ų1973.5 Ų73.57%0.07242%0.424CS..Hα-helixtrans-73.8-30.2-177.7-80.2100.8000113.1L7 H8 K14 Q15 L27 L45 P46 S75L7-W11 PolarHBondContact O-N 3.03Å; L7-W11 VanDerWaalsContact O-N 3.15Å; H8-W11 PolarHBondContact O-N 3.32Å; H8-W11 VanDerWaalsContact O-N 3.17Å; W11-K14 HydrophobicContact CE3-CD 4.03Å; W11-K14 HydrophobicContact CH2-CD 4.41Å; W11-K14 HydrophobicContact CZ3-CD 3.85Å; W11-Q15 VanDerWaalsContact O-CG 3.26Å; W11-Q15 WeakPolarHBondContact O-CG 3.48Å; W11-Q15 PolarHBondContact O-N 3.28Å; W11-Q15 PolarHBondContact O-NE2 2.59Å; W11-Q15 VanDerWaalsContact O-NE2 3.15Å; W11-L27 HydrophobicContact CB-CD1 4.45Å; W11-L27 HydrophobicContact CG-CD2 4.3Å; W11-L45 HydrophobicContact CZ2-CB 4.11Å; W11-L45 HydrophobicContact CZ2-CD1 3.82Å; W11-L45 HydrophobicContact CZ2-CD2 4.44Å; W11-L45 HydrophobicContact CZ2-CG 4.36Å; W11-P46 HydrophobicContact CD2-CG 3.95Å; W11-P46 HydrophobicContact CE3-CB 3.84Å; W11-P46 HydrophobicContact CE3-CG 3.58Å; W11-P46 HydrophobicContact CG-CG 4.35Å; W11-P46 HydrophobicContact CZ3-CB 3.85Å; W11-P46 HydrophobicContact CZ3-CG 4.08Å; W11-S75 PolarHBondContact NE1-OG 3.1Å
12E89.7Confident80.8Confident109 Ų10974.7 Ų74.751%0.50942%0.419SS..Hα-helixtrans-63.7-48.8170.8-77176.3-170.400111.5H8 K14 Q15 T16H8-E12 WeakPolarHBondContact O-CB 3.43Å; H8-E12 WeakPolarHBondContact O-CG 3.48Å; H8-E12 PolarHBondContact O-N 3.24Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 2.98Å; E12-Q15 PolarHBondContact O-N 3.46Å; E12-T16 PolarHBondContact O-N 2.89Å; E12-T16 VanDerWaalsContact O-N 3.17Å
13Q88.6Confident78.8Confident131 Ų13173.5 Ų73.561%0.61242%0.416SS*.Hα-helixtrans-60.4-42.5177.5-72.9173.321.600111.6N9 F10 Q15 T16 A17N9-Q13 WeakPolarHBondContact O-CB 3.44Å; N9-Q13 VanDerWaalsContact O-CG 3.26Å; N9-Q13 WeakPolarHBondContact O-CG 3.43Å; N9-Q13 PolarHBondContact O-N 3.22Å; F10-Q13 PolarHBondContact O-N 3.11Å; Q13-Q15 VanDerWaalsContact C-N 3.28Å; Q13-Q15 PolarHBondContact O-N 3.17Å; Q13-T16 PolarHBondContact O-N 3.15Å; Q13-T16 PolarHBondContact O-OG1 3.19Å; Q13-A17 PolarHBondContact O-N 3.07Å
14K84.9Confident76.8Confident50 Ų5080.3 Ų80.322%0.21745%0.452CS..Hα-helixtrans-60.9-36.7178.9-171.1172176.1177.30112.6F10 W11 E12 A17 Q18 E79F10-K14 HydrophobicContact CE1-CD 4.28Å; F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 3.15Å; F10-K14 VanDerWaalsContact O-N 3.07Å; W11-K14 HydrophobicContact CE3-CD 4.03Å; W11-K14 HydrophobicContact CH2-CD 4.41Å; W11-K14 HydrophobicContact CZ3-CD 3.85Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 2.98Å; K14-A17 PolarHBondContact O-N 3.48Å; K14-Q18 PolarHBondContact O-N 2.74Å; K14-E79 WeakPolarHBondContact CE-OE1 3.49Å; K14-E79 IonicContact NZ-OE1 2.91Å; K14-E79 PolarHBondContact NZ-OE1 3.28Å
15Q78.1Confident75.1Confident60 Ų6081.7 Ų81.728%0.2846%0.462SS..Hα-helixtrans-68.4-43.1176-71.316847.600112.4W11 E12 Q13 A17 Q18 S25W11-Q15 VanDerWaalsContact O-CG 3.26Å; W11-Q15 WeakPolarHBondContact O-CG 3.48Å; W11-Q15 PolarHBondContact O-N 3.28Å; W11-Q15 PolarHBondContact O-NE2 2.59Å; W11-Q15 VanDerWaalsContact O-NE2 3.15Å; E12-Q15 PolarHBondContact O-N 3.46Å; Q13-Q15 VanDerWaalsContact C-N 3.28Å; Q13-Q15 PolarHBondContact O-N 3.17Å; Q15-A17 PolarHBondContact O-N 3.41Å; Q15-Q18 CarbonylContact O-C 3.39Å; Q15-Q18 PolarHBondContact O-N 3.42Å; Q15-S25 VanDerWaalsContact CD-CB 3.46Å; Q15-S25 PolarHBondContact NE2-O 3.14Å; Q15-S25 PolarHBondContact OE1-OG 3.15Å
16T76.8Confident74.5Confident121 Ų12187.2 Ų87.274%0.74249%0.487SS*.Hα-helixtrans-61.1-27.2177.561.30000112.7E12 Q13E12-T16 PolarHBondContact O-N 2.89Å; E12-T16 VanDerWaalsContact O-N 3.17Å; Q13-T16 PolarHBondContact O-N 3.15Å; Q13-T16 PolarHBondContact O-OG1 3.19Å
17A75.1Confident74.3Confident77 Ų7784.4 Ų84.464%0.63647%0.472SS*.Hα-helixtrans-81.3-16.4176.600000114.3Q13 K14 Q15Q13-A17 PolarHBondContact O-N 3.07Å; K14-A17 PolarHBondContact O-N 3.48Å; Q15-A17 PolarHBondContact O-N 3.41Å
18Q67.2Low74.2Confident131 Ų13188.9 Ų88.961%0.61250%0.496SS*.  trans-135.878.2-178-66-167.74.500112.3K14 Q15 G20K14-Q18 PolarHBondContact O-N 2.74Å; Q15-Q18 CarbonylContact O-C 3.39Å; Q15-Q18 PolarHBondContact O-N 3.42Å; Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 2.86Å
19P51.5Low74.2Confident126 Ų12688.8 Ų88.882%0.81849%0.494SS*.THydrogen-bonded Turntrans-78.953.1-170.832-36.1000114.7
20G51.8Low74.2Confident56 Ų5687.1 Ų87.158%0.57748%0.483SS*.THydrogen-bonded Turntrans-1480.6178.600000116.6Q18 H22Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 2.86Å; G20-H22 PolarHBondContact O-N 3.34Å
21S50.8Low74Confident87 Ų8788.1 Ų88.161%0.60850%0.495SS*.  trans-89.990.4179-172.80000110.3T23S21-T23 PolarHBondContact O-N 3.2Å
22H45.7Very low73.5Confident185 Ų18589 Ų8986%0.85651%0.507SS*.  trans-80.123.1-177.7-72.1-71.9000115.3G20G20-H22 PolarHBondContact O-N 3.34Å
23T48.9Very low72.6Confident89 Ų8989.5 Ų89.555%0.54652%0.519SS..SBendtrans-96.9128.8171.843.40000110S21 S25S21-T23 PolarHBondContact O-N 3.2Å; T23-S25 WeakPolarHBondContact O-CA 3.26Å; T23-S25 PolarHBondContact O-N 3.29Å
24D54.3Low71.1Confident158 Ų15887.6 Ų87.685%0.84552%0.518SS*.  trans-1999-179.1-77.4-40.2000113.4L26D24-L26 PolarHBondContact O-N 3.2Å
25S58.5Low70.2Confident48 Ų4891.8 Ų91.834%0.33655%0.551SS.*  trans-83.218.6-160.790.10000113.8Q15 T23Q15-S25 VanDerWaalsContact CD-CB 3.46Å; Q15-S25 PolarHBondContact NE2-O 3.14Å; Q15-S25 PolarHBondContact OE1-OG 3.15Å; T23-S25 WeakPolarHBondContact O-CA 3.26Å; T23-S25 PolarHBondContact O-N 3.29Å
26L81.4Confident69.9Low135 Ų13590 Ų9071%0.70755%0.548SS*.SBendtrans-107.6133.5-175.7-76.7132.8000110.9D24 L28D24-L26 PolarHBondContact O-N 3.2Å; L26-L28 PolarHBondContact O-N 3.47Å
27L91.6Very high70.1Confident16 Ų1688 Ų888%0.08454%0.537CS..  trans-57.5120.5165.9-69.5162.7000109L7 H8 W11 Y29 V43 L45L7-L27 HydrophobicContact CD2-CD1 4.13Å; L7-L27 HydrophobicContact CD2-CD2 4.19Å; L7-L27 HydrophobicContact CG-CD1 3.77Å; L7-L27 HydrophobicContact CG-CD2 4.26Å; H8-L27 HydrophobicContact CB-CD1 4.36Å; W11-L27 HydrophobicContact CB-CD1 4.45Å; W11-L27 HydrophobicContact CG-CD2 4.3Å; L27-Y29 HydrophobicContact CB-CE2 4.13Å; L27-V43 HydrophobicContact CD2-CG1 4.3Å; L27-L45 HydrophobicContact CD2-CD2 3.32Å
28L93.4Very high70.8Confident93 Ų9387.8 Ų87.849%0.48753%0.529SS..EExtended strand (participates in β ladder)trans-96.2124.5178177.963.7000109.6L26 E30 V43 T44L26-L28 PolarHBondContact O-N 3.47Å; L28-E30 HydrophobicContact CD1-CG 4.45Å; L28-E30 HydrophobicContact CD2-CG 4.28Å; L28-E30 WeakPolarHBondContact CD2-OE2 3.46Å; L28-E30 HydrophobicContact CG-CG 4.07Å; L28-V43 CarbonylContact O-C 3.47Å; L28-V43 VanDerWaalsContact O-CA 3.31Å; L28-V43 WeakPolarHBondContact O-CA 3.37Å; L28-T44 PolarHBondContact N-O 3.09Å; L28-T44 VanDerWaalsContact N-O 3.11Å; L28-T44 PolarHBondContact O-N 2.97Å
29Y94.4Very high72Confident45 Ų4584.2 Ų84.218%0.17651%0.511CS..EExtended strand (participates in β ladder)trans-107.1126.2173.9-75-92.2000110H8 L27 Y42 V43 R64 A68H8-Y29 AromaticContact NE2-CE2 3.44Å; H8-Y29 WeakPolarHBondContact NE2-CE2 3.26Å; L27-Y29 HydrophobicContact CB-CE2 4.13Å; Y29-Y42 WeakPolarHBondContact CA-O 3.3Å; Y29-V43 HydrophobicContact CD1-CG2 3.53Å; Y29-V43 HydrophobicContact CE1-CB 4.29Å; Y29-V43 HydrophobicContact CE1-CG1 4.12Å; Y29-V43 HydrophobicContact CE1-CG2 3.24Å; Y29-V43 HydrophobicContact CE2-CG1 4.47Å; Y29-V43 HydrophobicContact CG-CG2 4.49Å; Y29-R64 HydrophobicContact CD1-CG 3.66Å; Y29-R64 HydrophobicContact CE1-CG 3.72Å; Y29-A68 HydrophobicContact CE1-CB 4.29Å
30E93.3Very high74.1Confident53 Ų5379.3 Ų79.325%0.24848%0.478CS..EExtended strand (participates in β ladder)trans-124.6129.1178.5-69.5165.283.800109.1L28 C41 Y42 K219L28-E30 HydrophobicContact CD1-CG 4.45Å; L28-E30 HydrophobicContact CD2-CG 4.28Å; L28-E30 WeakPolarHBondContact CD2-OE2 3.46Å; L28-E30 HydrophobicContact CG-CG 4.07Å; E30-C41 CarbonylContact O-C 3.55Å; E30-C41 VanDerWaalsContact O-CA 3.32Å; E30-C41 WeakPolarHBondContact O-CA 3.38Å; E30-Y42 PolarHBondContact N-O 3.37Å; E30-Y42 PolarHBondContact O-N 3.44Å; E30-K219 VanDerWaalsContact CD-CE 3.43Å; E30-K219 VanDerWaalsContact OE1-CE 3.3Å; E30-K219 WeakPolarHBondContact OE1-CE 3.14Å; E30-K219 IonicContact OE1-NZ 2.66Å; E30-K219 PolarHBondContact OE1-NZ 3.35Å; E30-K219 WeakPolarHBondContact OE2-CE 3.22Å; E30-K219 IonicContact OE2-NZ 3.17Å; E30-K219 PolarHBondContact OE2-NZ 2.87Å
31S88.2Confident76.1Confident62 Ų6276.7 Ų76.743%0.43445%0.451SS..EExtended strand (participates in β ladder)trans-107.6131.6174.6-61.60000108.7V40S31-V40 WeakPolarHBondContact CA-O 3.41Å
32A79.5Confident78.3Confident38 Ų3873.8 Ų73.831%0.31443%0.427SS..PPolyproline II helixtrans-61.9140.7173.900000109.6V40A32-V40 HydrophobicContact CB-CB 4.1Å; A32-V40 PolarHBondContact N-O 2.92Å
33P71Confident80.7Confident118 Ų11865 Ų6577%0.76639%0.386SS*.PPolyproline II helixtrans-61.3146-179.922.8-30.8000111.1
34P57.5Low82.9Confident92 Ų9261.3 Ų61.360%0.59736%0.363SS*.PPolyproline II helixtrans-78.6146.9-169.930.5-32.7000112.1
35P65.6Low84.7Confident138 Ų13854 Ų5490%0.89632%0.324SS*.SBend-116.83.4127.234.4-30000112.6
36G71.6Confident86.1Confident21 Ų2152.9 Ų52.922%0.21632%0.316CS..SBendtrans134.8-174.7-174.500000111.1
37P81.6Confident86.2Confident80 Ų8048.4 Ų48.452%0.51930%0.303SS..SBendtrans-61.2149.4174.426.3-33.6000111.6Y39P37-Y39 HydrophobicContact CB-CD2 4.11Å; P37-Y39 HydrophobicContact CB-CE2 3.99Å; P37-Y39 HydrophobicContact CG-CE2 4.48Å
38P89.1Confident86Confident72 Ų7248 Ų4847%0.46830%0.302SS..SBendcis-82.3132.75.432.5-34.9000113.6V56 C57P38-V56 HydrophobicContact CB-CG1 3.86Å; P38-C57 WeakPolarHBondContact CA-O 3.31Å
39Y92.8Very high86Confident57 Ų5743.8 Ų43.822%0.22428%0.28CS..PPolyproline II helixtrans-76.7142.7179.1-67.3-83.3000111.9P37 N53 C57 D58 T59 Q60P37-Y39 HydrophobicContact CB-CD2 4.11Å; P37-Y39 HydrophobicContact CB-CE2 3.99Å; P37-Y39 HydrophobicContact CG-CE2 4.48Å; Y39-N53 PolarHBondContact O-ND2 3.3Å; Y39-C57 PolarHBondContact N-O 3.46Å; Y39-D58 VanDerWaalsContact CD2-C 3.4Å; Y39-D58 VanDerWaalsContact CD2-O 3.32Å; Y39-D58 WeakPolarHBondContact CD2-O 3.33Å; Y39-D58 WeakPolarHBondContact CE2-O 3.47Å; Y39-T59 VanDerWaalsContact CD2-CA 3.49Å; Y39-Q60 HydrophobicContact CD1-CB 4.44Å; Y39-Q60 HydrophobicContact CD1-CG 3.34Å; Y39-Q60 HydrophobicContact CE1-CG 3.66Å; Y39-Q60 HydrophobicContact CG-CG 3.99Å
40V94.4Very high86Confident22 Ų2241.6 Ų41.613%0.13327%0.272CS..  trans-123.9131.8178.4-176.50000110.1S31 A32 Y42 N53S31-V40 WeakPolarHBondContact CA-O 3.41Å; A32-V40 HydrophobicContact CB-CB 4.1Å; A32-V40 PolarHBondContact N-O 2.92Å; V40-Y42 HydrophobicContact CG1-CD2 4.4Å; V40-Y42 HydrophobicContact CG1-CE1 3.95Å; V40-Y42 HydrophobicContact CG1-CE2 3.71Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.45Å; V40-N53 VanDerWaalsContact CA-OD1 3.27Å; V40-N53 WeakPolarHBondContact CA-OD1 3.25Å
41C95.4Very high86.2Confident1 Ų139.2 Ų39.21%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-131.5136.8174.3-175.80000109.5E30 G52 N53 A63 R64 A67E30-C41 CarbonylContact O-C 3.55Å; E30-C41 VanDerWaalsContact O-CA 3.32Å; E30-C41 WeakPolarHBondContact O-CA 3.38Å; C41-G52 VanDerWaalsContact O-CA 3.23Å; C41-G52 WeakPolarHBondContact O-CA 3.36Å; C41-N53 PolarHBondContact N-OD1 2.99Å; C41-N53 PolarHBondContact O-N 3.44Å; C41-N53 VanDerWaalsContact O-N 3.1Å; C41-N53 PolarHBondContact O-OD1 3.11Å; C41-A63 HydrophobicContact CB-CB 3.86Å; C41-R64 HydrophobicContact CB-CB 4.44Å; C41-A67 HydrophobicContact CB-CB 4.36Å; C41-A67 WeakPolarHBondContact O-CB 3.32Å
42Y96.5Very high86.5Confident26 Ų2636.4 Ų36.410%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-111.7148.8173.8-54.3-75.5000109.8Y29 E30 V40 F51 L205 L215Y29-Y42 WeakPolarHBondContact CA-O 3.3Å; E30-Y42 PolarHBondContact N-O 3.37Å; E30-Y42 PolarHBondContact O-N 3.44Å; V40-Y42 HydrophobicContact CG1-CD2 4.4Å; V40-Y42 HydrophobicContact CG1-CE1 3.95Å; V40-Y42 HydrophobicContact CG1-CE2 3.71Å; V40-Y42 VanDerWaalsContact CG1-CZ 3.45Å; Y42-F51 CarbonylContact C-O 3.53Å; Y42-F51 VanDerWaalsContact CA-O 3.28Å; Y42-F51 WeakPolarHBondContact CA-O 3.09Å; Y42-L205 HydrophobicContact CE1-CD1 4.17Å; Y42-L215 HydrophobicContact CD1-CD1 3.81Å; Y42-L215 HydrophobicContact CE1-CD1 3.88Å
43V96.3Very high87.3Confident0 Ų034.6 Ų34.60%023%0.227CC..EExtended strand (participates in β ladder)trans-129.3119.1175.9-173.30000107.7L7 L27 L28 Y29 L45 C50 F51 A67 A71L7-V43 HydrophobicContact CD2-CG1 4.14Å; L27-V43 HydrophobicContact CD2-CG1 4.3Å; L28-V43 CarbonylContact O-C 3.47Å; L28-V43 VanDerWaalsContact O-CA 3.31Å; L28-V43 WeakPolarHBondContact O-CA 3.37Å; Y29-V43 HydrophobicContact CD1-CG2 3.53Å; Y29-V43 HydrophobicContact CE1-CB 4.29Å; Y29-V43 HydrophobicContact CE1-CG1 4.12Å; Y29-V43 HydrophobicContact CE1-CG2 3.24Å; Y29-V43 HydrophobicContact CE2-CG1 4.47Å; Y29-V43 HydrophobicContact CG-CG2 4.49Å; V43-L45 HydrophobicContact CG1-CD2 4.37Å; V43-C50 CarbonylContact O-C 3.47Å; V43-C50 WeakPolarHBondContact O-CA 3.33Å; V43-F51 PolarHBondContact N-O 3.25Å; V43-F51 PolarHBondContact O-N 3.47Å; V43-A67 HydrophobicContact CG2-CB 3.69Å; V43-A71 HydrophobicContact CB-CB 4.26Å; V43-A71 HydrophobicContact CG1-CB 4.15Å
44T94.3Very high88.3Confident12 Ų1234.1 Ų34.17%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-100.8123.5172.8-54.10000108.5L28 G48 S49L28-T44 PolarHBondContact N-O 3.09Å; L28-T44 VanDerWaalsContact N-O 3.11Å; L28-T44 PolarHBondContact O-N 2.97Å; T44-G48 WeakPolarHBondContact CG2-O 3.37Å; T44-S49 WeakPolarHBondContact CA-O 3.26Å
45L92.8Very high89.9Confident5 Ų534.2 Ų34.23%0.02620%0.201CC..PPolyproline II helixtrans-81.6156.7179.1-60.8-174.9000110.9L7 W11 L27 V43 G47 G48 S49 F51 A71 S75 L131L7-L45 HydrophobicContact CD1-CD2 4.32Å; W11-L45 HydrophobicContact CZ2-CB 4.11Å; W11-L45 HydrophobicContact CZ2-CD1 3.82Å; W11-L45 HydrophobicContact CZ2-CD2 4.44Å; W11-L45 HydrophobicContact CZ2-CG 4.36Å; L27-L45 HydrophobicContact CD2-CD2 3.32Å; V43-L45 HydrophobicContact CG1-CD2 4.37Å; L45-G47 PolarHBondContact O-N 3.31Å; L45-G48 PolarHBondContact O-N 3.09Å; L45-S49 PolarHBondContact N-O 2.89Å; L45-F51 HydrophobicContact CD1-CD2 4Å; L45-F51 HydrophobicContact CD1-CE2 3.51Å; L45-F51 HydrophobicContact CG-CD2 4.18Å; L45-F51 HydrophobicContact CG-CE2 4.09Å; L45-A71 HydrophobicContact CD2-CB 4.03Å; L45-S75 WeakPolarHBondContact CD1-OG 3.04Å; L45-L131 HydrophobicContact CD1-CD1 4.47Å
46P87.6Confident91.1Very high25 Ų2533.1 Ų33.116%0.16219%0.192CC..THydrogen-bonded Turntrans-53.4131.2163.9-2434.7000110.2W11W11-P46 HydrophobicContact CD2-CG 3.95Å; W11-P46 HydrophobicContact CE3-CB 3.84Å; W11-P46 HydrophobicContact CE3-CG 3.58Å; W11-P46 HydrophobicContact CG-CG 4.35Å; W11-P46 HydrophobicContact CZ3-CB 3.85Å; W11-P46 HydrophobicContact CZ3-CG 4.08Å
47G82.8Confident92.1Very high41 Ų4132.5 Ų32.542%0.42318%0.184SC..THydrogen-bonded Turntrans91.2-0.9-171.500000114.9L45L45-G47 PolarHBondContact O-N 3.31Å
48G88.9Confident92.7Very high7 Ų733.9 Ų33.97%0.07219%0.187CC..SBendtrans101.1-20.7162.300000116.2T44 L45 C50 E135 R216T44-G48 WeakPolarHBondContact CG2-O 3.37Å; L45-G48 PolarHBondContact O-N 3.09Å; G48-C50 PolarHBondContact O-N 2.93Å; G48-E135 WeakPolarHBondContact CA-OE2 3.2Å; G48-R216 WeakPolarHBondContact O-CD 3.49Å; G48-R216 WeakPolarHBondContact O-CG 3.46Å; G48-R216 PolarHBondContact O-NE 3.05Å; G48-R216 VanDerWaalsContact O-NE 3.11Å
49S92.1Very high92.9Very high4 Ų433.2 Ų33.23%0.02818%0.181CC..  trans-55.4135.9178-56.20000112.1T44 L45 L131 Q134T44-S49 WeakPolarHBondContact CA-O 3.26Å; L45-S49 PolarHBondContact N-O 2.89Å; S49-L131 WeakPolarHBondContact OG-CD2 3.29Å; S49-Q134 PolarHBondContact OG-OE1 3.47Å
50C95.3Very high92.9Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-122.9135.2-174-169.50000111.5V43 G48 E214 L215 R216V43-C50 CarbonylContact O-C 3.47Å; V43-C50 WeakPolarHBondContact O-CA 3.33Å; G48-C50 PolarHBondContact O-N 2.93Å; C50-E214 PolarHBondContact N-OE1 3.46Å; C50-L215 HydrophobicContact CB-CB 4.3Å; C50-L215 WeakPolarHBondContact O-CB 3.13Å; C50-L215 PolarHBondContact O-N 3.04Å; C50-R216 HydrophobicContact CB-CB 4Å
51F96.2Very high92.8Very high3 Ų337 Ų371%0.01321%0.21CC..EExtended strand (participates in β ladder)trans-131.7153.9179.2-58.1-80.9000110.5Y42 V43 L45 V70 A71 N74 L131Y42-F51 CarbonylContact C-O 3.53Å; Y42-F51 VanDerWaalsContact CA-O 3.28Å; Y42-F51 WeakPolarHBondContact CA-O 3.09Å; V43-F51 PolarHBondContact N-O 3.25Å; V43-F51 PolarHBondContact O-N 3.47Å; L45-F51 HydrophobicContact CD1-CD2 4Å; L45-F51 HydrophobicContact CD1-CE2 3.51Å; L45-F51 HydrophobicContact CG-CD2 4.18Å; L45-F51 HydrophobicContact CG-CE2 4.09Å; F51-V70 HydrophobicContact CB-CB 4.46Å; F51-V70 HydrophobicContact CB-CG1 4.05Å; F51-V70 HydrophobicContact CD1-CG1 3.88Å; F51-V70 HydrophobicContact CG-CG1 4.23Å; F51-A71 HydrophobicContact CB-CB 4.25Å; F51-A71 HydrophobicContact CD2-CB 4.04Å; F51-A71 HydrophobicContact CG-CB 4.41Å; F51-N74 HydrophobicContact CE1-CB 3.89Å; F51-N74 VanDerWaalsContact CE1-CG 3.46Å; F51-N74 WeakPolarHBondContact CE1-ND2 3.14Å; F51-N74 HydrophobicContact CE2-CB 4.15Å; F51-N74 HydrophobicContact CZ-CB 3.61Å; F51-L131 HydrophobicContact CZ-CD2 4.2Å
52G96.3Very high92.8Very high3 Ų340.4 Ų40.43%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-132.8165.817900000112.1C41 Y54 L215C41-G52 VanDerWaalsContact O-CA 3.23Å; C41-G52 WeakPolarHBondContact O-CA 3.36Å; G52-Y54 PolarHBondContact O-N 3.49Å; G52-L215 VanDerWaalsContact N-CD1 3.31Å
53N95.1Very high92.7Very high0 Ų039.2 Ų39.20%022%0.221CC..  trans-61.4128.5169.162.6-61.1000108.9Y39 V40 C41 K55 A63 D66 A67 R209Y39-N53 PolarHBondContact O-ND2 3.3Å; V40-N53 VanDerWaalsContact CA-OD1 3.27Å; V40-N53 WeakPolarHBondContact CA-OD1 3.25Å; C41-N53 PolarHBondContact N-OD1 2.99Å; C41-N53 PolarHBondContact O-N 3.44Å; C41-N53 VanDerWaalsContact O-N 3.1Å; C41-N53 PolarHBondContact O-OD1 3.11Å; N53-K55 PolarHBondContact ND2-O 3.39Å; N53-A63 HydrophobicContact CB-CB 4.39Å; N53-A63 WeakPolarHBondContact CB-O 3.06Å; N53-D66 WeakPolarHBondContact CA-OD2 3.35Å; N53-D66 HydrophobicContact CB-CB 3.85Å; N53-A67 HydrophobicContact CB-CB 4.33Å; N53-R209 PolarHBondContact ND2-NH1 2.89Å; N53-R209 VanDerWaalsContact O-CD 3.23Å; N53-R209 WeakPolarHBondContact O-CD 3.49Å; N53-R209 WeakPolarHBondContact O-CG 3.33Å; N53-R209 PolarHBondContact O-NH1 3.08Å
54Y91.8Very high92.7Very high107 Ų10744.2 Ų44.242%0.4224%0.24SC..  trans-93.4-22.1177.877.7-79.2000111G52 D66 V70 R209G52-Y54 PolarHBondContact O-N 3.49Å; Y54-D66 WeakPolarHBondContact CD1-OD2 3.46Å; Y54-D66 PolarHBondContact N-OD2 2.73Å; Y54-D66 VanDerWaalsContact N-OD2 3.09Å; Y54-V70 HydrophobicContact CD1-CG2 3.81Å; Y54-V70 HydrophobicContact CE1-CG2 4.32Å; Y54-R209 WeakPolarHBondContact CB-O 3.32Å
55K91.5Very high92.8Very high95 Ų9549.6 Ų49.641%0.41326%0.259SS..SBendtrans-80155.9176.3-60.3-175.8-174.6-177.10112.2N53 D66N53-K55 PolarHBondContact ND2-O 3.39Å; K55-D66 PolarHBondContact N-OD2 3Å
56V91.3Very high92.9Very high115 Ų11549.6 Ų49.670%0.69726%0.259SS*.  trans-71125.1163.6-176.80000107.1P38P38-V56 HydrophobicContact CB-CG1 3.86Å
57C93.1Very high93.4Very high7 Ų748.4 Ų48.45%0.04725%0.251CS..  trans-126.3134.5-176.1-63.60000110.2P38 Y39 E62 A63P38-C57 WeakPolarHBondContact CA-O 3.31Å; Y39-C57 PolarHBondContact N-O 3.46Å; C57-E62 HydrophobicContact CB-CB 3.91Å; C57-A63 HydrophobicContact CB-CB 3.94Å
58D93Very high94Very high109 Ų10946.5 Ų46.558%0.58323%0.231SC*.SBendtrans-92.6-7.9-175.9-63-39.2000112.4Y39 E62Y39-D58 VanDerWaalsContact CD2-C 3.4Å; Y39-D58 VanDerWaalsContact CD2-O 3.32Å; Y39-D58 WeakPolarHBondContact CD2-O 3.33Å; Y39-D58 WeakPolarHBondContact CE2-O 3.47Å; D58-E62 PolarHBondContact N-OE2 3.21Å
59T93.4Very high94.4Very high58 Ų5850.5 Ų50.536%0.35624%0.244SC..SBendtrans-135.7153.4173.766.50000112.2Y39 A61 E62 A63Y39-T59 VanDerWaalsContact CD2-CA 3.49Å; T59-A61 PolarHBondContact O-N 2.7Å; T59-E62 PolarHBondContact N-OE2 3.43Å; T59-E62 PolarHBondContact O-N 3.12Å; T59-E62 WeakPolarHBondContact OG1-CB 3.4Å; T59-E62 WeakPolarHBondContact OG1-CG 3.42Å; T59-E62 PolarHBondContact OG1-N 2.96Å; T59-E62 VanDerWaalsContact OG1-N 3.14Å; T59-A63 PolarHBondContact O-N 2.94Å
60Q92.8Very high94.5Very high99 Ų9951 Ų5146%0.46325%0.248SC..Hα-helixtrans-58.7-37.2172.6-69.5-177.4-16.200112Y39 E62 A63 R64Y39-Q60 HydrophobicContact CD1-CB 4.44Å; Y39-Q60 HydrophobicContact CD1-CG 3.34Å; Y39-Q60 HydrophobicContact CE1-CG 3.66Å; Y39-Q60 HydrophobicContact CG-CG 3.99Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 3.27Å; Q60-A63 PolarHBondContact O-N 2.66Å; Q60-R64 WeakPolarHBondContact O-CB 3.32Å; Q60-R64 PolarHBondContact O-N 3.48Å
61A93.6Very high94.5Very high60 Ų6051 Ų5150%0.49625%0.248SC..Hα-helixtrans-66-35.5178.400000112.5T59 R65T59-A61 PolarHBondContact O-N 2.7Å; A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 VanDerWaalsContact O-CG 3.25Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.29Å; A61-R65 VanDerWaalsContact O-N 3.09Å; A61-R65 PolarHBondContact O-NE 3.2Å
62E94.7Very high94.5Very high73 Ų7351.8 Ų51.834%0.34125%0.252SS..Hα-helixtrans-68.2-47.8172.4-77.5168.917900112.1C57 D58 T59 Q60 R64 R65 D66C57-E62 HydrophobicContact CB-CB 3.91Å; D58-E62 PolarHBondContact N-OE2 3.21Å; T59-E62 PolarHBondContact N-OE2 3.43Å; T59-E62 PolarHBondContact O-N 3.12Å; T59-E62 WeakPolarHBondContact OG1-CB 3.4Å; T59-E62 WeakPolarHBondContact OG1-CG 3.42Å; T59-E62 PolarHBondContact OG1-N 2.96Å; T59-E62 VanDerWaalsContact OG1-N 3.14Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 3.27Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.38Å; E62-R65 VanDerWaalsContact CG-NH2 3.34Å; E62-R65 PolarHBondContact O-N 3.11Å; E62-D66 WeakPolarHBondContact O-CB 3.42Å; E62-D66 PolarHBondContact O-N 3.21Å
63A94.9Very high94.4Very high0 Ų057.3 Ų57.30%028%0.278CS..Hα-helixtrans-56.7-46.7176.900000110.7C41 N53 C57 T59 Q60 R65 D66 A67C41-A63 HydrophobicContact CB-CB 3.86Å; N53-A63 HydrophobicContact CB-CB 4.39Å; N53-A63 WeakPolarHBondContact CB-O 3.06Å; C57-A63 HydrophobicContact CB-CB 3.94Å; T59-A63 PolarHBondContact O-N 2.94Å; Q60-A63 PolarHBondContact O-N 2.66Å; A63-R65 PolarHBondContact O-N 2.87Å; A63-D66 PolarHBondContact O-N 2.99Å; A63-A67 WeakPolarHBondContact O-CB 3.37Å; A63-A67 PolarHBondContact O-N 3.33Å
64R95.7Very high94.2Very high106 Ų10660.1 Ų60.140%0.429%0.293SS..Hα-helixtrans-60.5-44.6177.1-174.4175.8178.7-160.6-1.5112.7V4 Y29 C41 Q60 E62 A68V4-R64 HydrophobicContact CG2-CG 4.43Å; Y29-R64 HydrophobicContact CD1-CG 3.66Å; Y29-R64 HydrophobicContact CE1-CG 3.72Å; C41-R64 HydrophobicContact CB-CB 4.44Å; Q60-R64 WeakPolarHBondContact O-CB 3.32Å; Q60-R64 PolarHBondContact O-N 3.48Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.38Å; R64-A68 VanDerWaalsContact O-CB 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.45Å; R64-A68 PolarHBondContact O-N 3.18Å
65R96.2Very high94.3Very high125 Ų12555 Ų5547%0.47227%0.273SS..Hα-helixtrans-65.8-38178.3-76.6-176.8-62.9170.32.4112.2V4 A61 E62 A63 R69V4-R65 HydrophobicContact CG2-CG 4.27Å; A61-R65 WeakPolarHBondContact O-CB 3.39Å; A61-R65 VanDerWaalsContact O-CG 3.25Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.29Å; A61-R65 VanDerWaalsContact O-N 3.09Å; A61-R65 PolarHBondContact O-NE 3.2Å; E62-R65 VanDerWaalsContact CG-NH2 3.34Å; E62-R65 PolarHBondContact O-N 3.11Å; A63-R65 PolarHBondContact O-N 2.87Å; R65-R69 PolarHBondContact O-N 3.09Å; R65-R69 VanDerWaalsContact O-N 3.11Å
66D95.8Very high94.3Very high5 Ų554.7 Ų54.73%0.02728%0.275CS..Hα-helixtrans-71-44.6178.7-165.665.2000111.7N53 Y54 K55 E62 A63 A68 R69 V70N53-D66 WeakPolarHBondContact CA-OD2 3.35Å; N53-D66 HydrophobicContact CB-CB 3.85Å; Y54-D66 WeakPolarHBondContact CD1-OD2 3.46Å; Y54-D66 PolarHBondContact N-OD2 2.73Å; Y54-D66 VanDerWaalsContact N-OD2 3.09Å; K55-D66 PolarHBondContact N-OD2 3Å; E62-D66 WeakPolarHBondContact O-CB 3.42Å; E62-D66 PolarHBondContact O-N 3.21Å; A63-D66 PolarHBondContact O-N 2.99Å; D66-A68 VanDerWaalsContact C-N 3.35Å; D66-A68 PolarHBondContact O-N 3.07Å; D66-R69 WeakPolarHBondContact O-CB 3.44Å; D66-R69 PolarHBondContact O-N 3.3Å; D66-R69 VanDerWaalsContact O-N 3.09Å; D66-R69 IonicContact OD1-NH1 2.92Å; D66-R69 PolarHBondContact OD1-NH1 2.89Å; D66-V70 PolarHBondContact O-N 2.91Å; D66-V70 VanDerWaalsContact O-N 3.14Å
67A96.6Very high94.3Very high0 Ų051.8 Ų51.80%026%0.258CS..Hα-helixtrans-59.6-44.7174.400000111.7C41 V43 N53 A63 R69 V70 A71C41-A67 HydrophobicContact CB-CB 4.36Å; C41-A67 WeakPolarHBondContact O-CB 3.32Å; V43-A67 HydrophobicContact CG2-CB 3.69Å; N53-A67 HydrophobicContact CB-CB 4.33Å; A63-A67 WeakPolarHBondContact O-CB 3.37Å; A63-A67 PolarHBondContact O-N 3.33Å; A67-R69 VanDerWaalsContact C-N 3.26Å; A67-R69 PolarHBondContact O-N 3.09Å; A67-V70 PolarHBondContact O-N 3.22Å; A67-A71 WeakPolarHBondContact O-CB 3.35Å; A67-A71 PolarHBondContact O-N 3.46Å
68A96.5Very high94.1Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-61.5-32.9175.200000112.9V3 V4 L7 Y29 R64 D66 L72V3-A68 HydrophobicContact CG1-CB 4.32Å; V4-A68 HydrophobicContact CG2-CB 3.82Å; L7-A68 HydrophobicContact CD2-CB 4.23Å; Y29-A68 HydrophobicContact CE1-CB 4.29Å; R64-A68 VanDerWaalsContact O-CB 3.3Å; R64-A68 WeakPolarHBondContact O-CB 3.45Å; R64-A68 PolarHBondContact O-N 3.18Å; D66-A68 VanDerWaalsContact C-N 3.35Å; D66-A68 PolarHBondContact O-N 3.07Å; A68-L72 VanDerWaalsContact O-CB 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.23Å; A68-L72 PolarHBondContact O-N 3.38Å
69R95.8Very high93.9Very high91 Ų9150.2 Ų50.234%0.34325%0.247SC..Hα-helixtrans-65.8-46.7175.7-174.8-174.4-67.5110.21.5111.7V3 R65 D66 A67 A71 L72 M73V3-R69 HydrophobicContact CG1-CB 3.95Å; R65-R69 PolarHBondContact O-N 3.09Å; R65-R69 VanDerWaalsContact O-N 3.11Å; D66-R69 WeakPolarHBondContact O-CB 3.44Å; D66-R69 PolarHBondContact O-N 3.3Å; D66-R69 VanDerWaalsContact O-N 3.09Å; D66-R69 IonicContact OD1-NH1 2.92Å; D66-R69 PolarHBondContact OD1-NH1 2.89Å; A67-R69 VanDerWaalsContact C-N 3.26Å; A67-R69 PolarHBondContact O-N 3.09Å; R69-A71 VanDerWaalsContact C-N 3.33Å; R69-L72 PolarHBondContact O-N 3.18Å; R69-M73 HydrophobicContact CG-SD 4.32Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 3.38Å
70V95.4Very high93.7Very high16 Ų1651.5 Ų51.510%0.09725%0.251CS..Hα-helixtrans-61.3-46.2177.2178.90000110.1F51 Y54 D66 A67 L72 M73 N74F51-V70 HydrophobicContact CB-CB 4.46Å; F51-V70 HydrophobicContact CB-CG1 4.05Å; F51-V70 HydrophobicContact CD1-CG1 3.88Å; F51-V70 HydrophobicContact CG-CG1 4.23Å; Y54-V70 HydrophobicContact CD1-CG2 3.81Å; Y54-V70 HydrophobicContact CE1-CG2 4.32Å; D66-V70 PolarHBondContact O-N 2.91Å; D66-V70 VanDerWaalsContact O-N 3.14Å; A67-V70 PolarHBondContact O-N 3.22Å; V70-L72 PolarHBondContact O-N 3.14Å; V70-M73 PolarHBondContact O-N 2.97Å; V70-N74 PolarHBondContact O-N 2.79Å; V70-N74 PolarHBondContact O-ND2 2.87Å
71A95.1Very high93.4Very high0 Ų051.6 Ų51.60%026%0.26CS..Hα-helixtrans-61.4-43178.200000112.3L7 V43 L45 F51 A67 R69 N74 S75L7-A71 HydrophobicContact CD1-CB 4.44Å; L7-A71 HydrophobicContact CD2-CB 3.79Å; V43-A71 HydrophobicContact CB-CB 4.26Å; V43-A71 HydrophobicContact CG1-CB 4.15Å; L45-A71 HydrophobicContact CD2-CB 4.03Å; F51-A71 HydrophobicContact CB-CB 4.25Å; F51-A71 HydrophobicContact CD2-CB 4.04Å; F51-A71 HydrophobicContact CG-CB 4.41Å; A67-A71 WeakPolarHBondContact O-CB 3.35Å; A67-A71 PolarHBondContact O-N 3.46Å; R69-A71 VanDerWaalsContact C-N 3.33Å; A71-N74 PolarHBondContact O-N 3.1Å; A71-S75 WeakPolarHBondContact O-CB 3.28Å; A71-S75 PolarHBondContact O-N 3.05Å; A71-S75 PolarHBondContact O-OG 3.25Å
72L95.1Very high93Very high19 Ų1953.6 Ų53.610%0.09927%0.269CS..Hα-helixtrans-64.9-44.6177.3178.662.4000112.3V3 I6 L7 A68 R69 V70 N74 S75 L76V3-L72 HydrophobicContact CG1-CD2 4Å; I6-L72 HydrophobicContact CB-CD2 4.11Å; I6-L72 HydrophobicContact CG2-CD1 4.05Å; I6-L72 HydrophobicContact CG2-CD2 3.64Å; L7-L72 HydrophobicContact CB-CB 4.37Å; L7-L72 HydrophobicContact CB-CD1 4.46Å; L7-L72 HydrophobicContact CD1-CB 3.99Å; L7-L72 HydrophobicContact CD1-CD1 4.16Å; A68-L72 VanDerWaalsContact O-CB 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.23Å; A68-L72 PolarHBondContact O-N 3.38Å; R69-L72 PolarHBondContact O-N 3.18Å; V70-L72 PolarHBondContact O-N 3.14Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.99Å; L72-S75 PolarHBondContact O-N 2.98Å; L72-L76 HydrophobicContact CD1-CD1 3.95Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CG-CD1 3.98Å; L72-L76 HydrophobicContact CG-CG 4.43Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å
73M94.3Very high92.8Very high118 Ų11856.3 Ų56.358%0.58128%0.277SS*.Hα-helixtrans-58.6-47.2176.6-76.8176155.500111.1R69 V70 S75 L76 V77R69-M73 HydrophobicContact CG-SD 4.32Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 3.38Å; V70-M73 PolarHBondContact O-N 2.97Å; M73-S75 PolarHBondContact O-N 2.73Å; M73-L76 PolarHBondContact O-N 2.81Å; M73-V77 WeakPolarHBondContact O-CB 3.31Å; M73-V77 WeakPolarHBondContact O-CG2 3.47Å; M73-V77 PolarHBondContact O-N 3.5Å
74N92.6Very high92.6Very high59 Ų5961.9 Ų61.932%0.31630%0.297SS..Hα-helixtrans-64.5-40.2177.2-78.6-79.8000112F51 V70 A71 L72 N78F51-N74 HydrophobicContact CE1-CB 3.89Å; F51-N74 VanDerWaalsContact CE1-CG 3.46Å; F51-N74 WeakPolarHBondContact CE1-ND2 3.14Å; F51-N74 HydrophobicContact CE2-CB 4.15Å; F51-N74 HydrophobicContact CZ-CB 3.61Å; V70-N74 PolarHBondContact O-N 2.79Å; V70-N74 PolarHBondContact O-ND2 2.87Å; A71-N74 PolarHBondContact O-N 3.1Å; L72-N74 VanDerWaalsContact C-N 3.34Å; L72-N74 PolarHBondContact O-N 2.99Å; N74-N78 WeakPolarHBondContact O-CB 3.46Å; N74-N78 PolarHBondContact O-N 2.74Å
75S92.3Very high92.5Very high0 Ų056.9 Ų56.90%028%0.279CS..Hα-helixtrans-60.2-49177.6-57.30000111.6W11 L45 A71 L72 M73 N78W11-S75 PolarHBondContact NE1-OG 3.1Å; L45-S75 WeakPolarHBondContact CD1-OG 3.04Å; A71-S75 WeakPolarHBondContact O-CB 3.28Å; A71-S75 PolarHBondContact O-N 3.05Å; A71-S75 PolarHBondContact O-OG 3.25Å; L72-S75 PolarHBondContact O-N 2.98Å; M73-S75 PolarHBondContact O-N 2.73Å; S75-N78 PolarHBondContact O-N 2.92Å
76L92.3Very high92.4Very high88 Ų8853.8 Ų53.846%0.46127%0.274SS..Hα-helixtrans-67.6-44.6-179.9-69.6171.5000112.3F10 L72 M73 N78 E79F10-L76 HydrophobicContact CD2-CD2 3.79Å; F10-L76 HydrophobicContact CE2-CD2 3.7Å; L72-L76 HydrophobicContact CD1-CD1 3.95Å; L72-L76 HydrophobicContact CD1-CG 4.01Å; L72-L76 HydrophobicContact CG-CD1 3.98Å; L72-L76 HydrophobicContact CG-CG 4.43Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.88Å; M73-L76 PolarHBondContact O-N 2.81Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 2.82Å; L76-E79 PolarHBondContact O-N 3.35Å
77V90.8Very high92.3Very high55 Ų5556.2 Ų56.233%0.33329%0.294SS..Hα-helixtrans-62.9-37.4-180169.60000110.6M73 E79 L80 R83M73-V77 WeakPolarHBondContact O-CB 3.31Å; M73-V77 WeakPolarHBondContact O-CG2 3.47Å; M73-V77 PolarHBondContact O-N 3.5Å; V77-E79 PolarHBondContact O-N 2.92Å; V77-L80 HydrophobicContact CG1-CD1 4.47Å; V77-L80 VanDerWaalsContact O-CB 3.31Å; V77-L80 WeakPolarHBondContact O-CB 3.47Å; V77-L80 WeakPolarHBondContact O-CG 3.38Å; V77-L80 PolarHBondContact O-N 3.5Å; V77-L80 VanDerWaalsContact O-N 3.12Å; V77-R83 HydrophobicContact CG1-CG 4.14Å; V77-R83 WeakPolarHBondContact O-CG 3.42Å
78N89.7Confident92.1Very high11 Ų1164 Ų646%0.05933%0.331CS..Hα-helixtrans-68-18.5-178.6-170.672.7000114N74 S75 L76 L80 T129 M130 L131N74-N78 WeakPolarHBondContact O-CB 3.46Å; N74-N78 PolarHBondContact O-N 2.74Å; S75-N78 PolarHBondContact O-N 2.92Å; L76-N78 VanDerWaalsContact C-N 3.26Å; L76-N78 PolarHBondContact O-N 2.82Å; N78-L80 VanDerWaalsContact C-N 3.3Å; N78-T129 WeakPolarHBondContact ND2-CB 3.44Å; N78-T129 PolarHBondContact ND2-OG1 3.32Å; N78-T129 WeakPolarHBondContact O-CG2 3.49Å; N78-T129 WeakPolarHBondContact OD1-CB 3.09Å; N78-M130 PolarHBondContact OD1-N 3.42Å; N78-L131 HydrophobicContact CB-CD1 3.65Å; N78-L131 HydrophobicContact CB-CG 3.94Å; N78-L131 WeakPolarHBondContact ND2-CD1 3.35Å; N78-L131 WeakPolarHBondContact OD1-CG 3.45Å; N78-L131 PolarHBondContact OD1-N 3.19Å
79E88.9Confident92Very high72 Ų7267.2 Ų67.234%0.33635%0.345SS..THydrogen-bonded Turntrans-77.8-14.1173.3-63.8-54.4135.700113.5F10 K14 L76 V77F10-E79 HydrophobicContact CE2-CG 4.26Å; F10-E79 HydrophobicContact CZ-CG 3.76Å; K14-E79 WeakPolarHBondContact CE-OE1 3.49Å; K14-E79 IonicContact NZ-OE1 2.91Å; K14-E79 PolarHBondContact NZ-OE1 3.28Å; L76-E79 PolarHBondContact O-N 3.35Å; V77-E79 PolarHBondContact O-N 2.92Å
80L88.6Confident91.8Very high84 Ų8463 Ų6344%0.4433%0.329SS..SBendtrans-65.8140.2-179.2-61.9175.3000110.5V77 N78 C82 R83V77-L80 HydrophobicContact CG1-CD1 4.47Å; V77-L80 VanDerWaalsContact O-CB 3.31Å; V77-L80 WeakPolarHBondContact O-CB 3.47Å; V77-L80 WeakPolarHBondContact O-CG 3.38Å; V77-L80 PolarHBondContact O-N 3.5Å; V77-L80 VanDerWaalsContact O-N 3.12Å; N78-L80 VanDerWaalsContact C-N 3.3Å; L80-C82 PolarHBondContact O-N 3.46Å; L80-C82 VanDerWaalsContact O-N 3.09Å; L80-R83 HydrophobicContact CB-CG 4.32Å; L80-R83 WeakPolarHBondContact O-CB 3.47Å; L80-R83 PolarHBondContact O-N 3.38Å
81P86.6Confident91.7Very high101 Ų10166.1 Ų66.166%0.65635%0.348SS*.G310 helixtrans-54.8-33.1179.7-27.935000113.9R83 R84P81-R83 PolarHBondContact O-N 2.75Å; P81-R84 PolarHBondContact O-N 3.29Å
82C86.1Confident91.5Very high103 Ų10371.9 Ų71.970%0.69638%0.375SS*.G310 helixtrans-70.2-5.6177.264.10000114.5L80L80-C82 PolarHBondContact O-N 3.46Å; L80-C82 VanDerWaalsContact O-N 3.09Å
83R89.1Confident91.2Very high130 Ų13071.6 Ų71.649%0.49137%0.374SS..G310 helixtrans-101.14.5174.7-60.7-52.2-170.6166.40.6113.5V77 L80 P81 M130V77-R83 HydrophobicContact CG1-CG 4.14Å; V77-R83 WeakPolarHBondContact O-CG 3.42Å; L80-R83 HydrophobicContact CB-CG 4.32Å; L80-R83 WeakPolarHBondContact O-CB 3.47Å; L80-R83 PolarHBondContact O-N 3.38Å; P81-R83 PolarHBondContact O-N 2.75Å; R83-M130 PolarHBondContact O-N 2.77Å
84R91.8Very high91Very high116 Ų11666.7 Ų66.744%0.43835%0.351SS..BIsolated β-bridgetrans-79.8148.1170.6-65.9-176.1179.3-96.5-2.4110.7P81 T86 G127 R128P81-R84 PolarHBondContact O-N 3.29Å; R84-T86 PolarHBondContact O-N 2.83Å; R84-G127 WeakPolarHBondContact CD-O 3.48Å; R84-G127 PolarHBondContact NH1-O 3.18Å; R84-R128 CarbonylContact C-O 3.6Å; R84-R128 WeakPolarHBondContact CA-O 3.07Å
85I93.6Very high90.8Very high1 Ų168 Ų681%0.00536%0.358CS..  trans-74.1105.6174.4-64.9165000107.6F89 I90 L122 G127 R128 M130 F133I85-F89 HydrophobicContact CB-CD1 4.47Å; I85-F89 HydrophobicContact CG1-CD1 4.4Å; I85-F89 HydrophobicContact CG1-CE1 4.32Å; I85-F89 HydrophobicContact CG2-CD1 4.09Å; I85-I90 HydrophobicContact CG2-CD1 3.99Å; I85-I90 HydrophobicContact CG2-CG1 3.83Å; I85-L122 HydrophobicContact CG2-CD2 4.46Å; I85-G127 PolarHBondContact O-N 2.93Å; I85-R128 PolarHBondContact N-O 2.89Å; I85-M130 HydrophobicContact CD1-SD 4.05Å; I85-M130 HydrophobicContact CG1-SD 3.83Å; I85-F133 HydrophobicContact CD1-CB 3.74Å; I85-F133 HydrophobicContact CD1-CD2 4.49Å; I85-F133 HydrophobicContact CD1-CG 4.05Å
86T93.6Very high90.6Very high60 Ų6072.5 Ų72.537%0.36838%0.379SS..  trans-103.4162.7178.965.30000111R84 E88 F89 I90R84-T86 PolarHBondContact O-N 2.83Å; T86-E88 PolarHBondContact O-N 3.25Å; T86-F89 WeakPolarHBondContact O-CB 3.41Å; T86-F89 PolarHBondContact O-N 2.97Å; T86-F89 VanDerWaalsContact O-N 3.09Å; T86-F89 WeakPolarHBondContact OG1-CB 3.32Å; T86-F89 PolarHBondContact OG1-N 3Å; T86-F89 VanDerWaalsContact OG1-N 3.09Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.47Å; T86-I90 PolarHBondContact O-N 2.92Å
87A93.8Very high90.3Very high56 Ų5669.6 Ų69.646%0.46337%0.368SS..Hα-helixtrans-54.6-42173.500000112.1F89 I90 T91A87-F89 PolarHBondContact O-N 3.37Å; A87-I90 PolarHBondContact O-N 3.32Å; A87-T91 PolarHBondContact O-N 2.82Å; A87-T91 PolarHBondContact O-OG1 2.91Å
88E93.3Very high89.9Confident163 Ų16367.4 Ų67.476%0.76236%0.355SS*.Hα-helixtrans-60.7-44.3175.4-64.9177.2178.900112.3T86 I90 T91 H92T86-E88 PolarHBondContact O-N 3.25Å; E88-I90 VanDerWaalsContact C-N 3.32Å; E88-I90 PolarHBondContact O-N 3.06Å; E88-T91 PolarHBondContact O-N 2.87Å; E88-H92 WeakPolarHBondContact O-CB 3.46Å; E88-H92 PolarHBondContact O-N 2.58Å
89F92.8Very high89.4Confident68 Ų6872.6 Ų72.630%0.29839%0.388SS..Hα-helixtrans-60.8-41.9175.3173.4-91.8000111.7I85 T86 A87 H92 S93 L122 M130I85-F89 HydrophobicContact CB-CD1 4.47Å; I85-F89 HydrophobicContact CG1-CD1 4.4Å; I85-F89 HydrophobicContact CG1-CE1 4.32Å; I85-F89 HydrophobicContact CG2-CD1 4.09Å; T86-F89 WeakPolarHBondContact O-CB 3.41Å; T86-F89 PolarHBondContact O-N 2.97Å; T86-F89 VanDerWaalsContact O-N 3.09Å; T86-F89 WeakPolarHBondContact OG1-CB 3.32Å; T86-F89 PolarHBondContact OG1-N 3Å; T86-F89 VanDerWaalsContact OG1-N 3.09Å; A87-F89 PolarHBondContact O-N 3.37Å; F89-H92 PolarHBondContact O-N 2.83Å; F89-S93 WeakPolarHBondContact CE1-OG 3.24Å; F89-S93 WeakPolarHBondContact CZ-OG 3.38Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.27Å; F89-S93 PolarHBondContact O-N 2.76Å; F89-S93 PolarHBondContact O-OG 3.17Å; F89-L122 HydrophobicContact CE1-CD2 4.06Å; F89-M130 HydrophobicContact CE1-SD 3.92Å; F89-M130 HydrophobicContact CZ-CE 4.39Å; F89-M130 HydrophobicContact CZ-SD 3.68Å
90I92.9Very high88.8Confident2 Ų275.9 Ų75.91%0.0140%0.403CS..Hα-helixtrans-62.3-50.6178-63.3179.6000110I85 T86 A87 E88 H92 S93 L94 L122 Q123 M126I85-I90 HydrophobicContact CG2-CD1 3.99Å; I85-I90 HydrophobicContact CG2-CG1 3.83Å; T86-I90 VanDerWaalsContact O-CG1 3.31Å; T86-I90 WeakPolarHBondContact O-CG1 3.47Å; T86-I90 PolarHBondContact O-N 2.92Å; A87-I90 PolarHBondContact O-N 3.32Å; E88-I90 VanDerWaalsContact C-N 3.32Å; E88-I90 PolarHBondContact O-N 3.06Å; I90-H92 PolarHBondContact O-N 2.71Å; I90-S93 PolarHBondContact O-N 2.87Å; I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.47Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.3Å; I90-L122 HydrophobicContact CD1-CB 4.06Å; I90-L122 HydrophobicContact CG1-CB 3.93Å; I90-L122 HydrophobicContact CG1-CD1 4.43Å; I90-L122 HydrophobicContact CG2-CB 4.24Å; I90-L122 HydrophobicContact CG2-CD1 4.22Å; I90-Q123 HydrophobicContact CD1-CG 4.23Å; I90-M126 HydrophobicContact CD1-CE 3.95Å
91T91.8Very high87.6Confident82 Ų8273.6 Ų73.650%0.50339%0.394SS..Hα-helixtrans-57.7-47.4178.3-58.40000111.6A87 E88 S93 L94 N95A87-T91 PolarHBondContact O-N 2.82Å; A87-T91 PolarHBondContact O-OG1 2.91Å; E88-T91 PolarHBondContact O-N 2.87Å; T91-S93 PolarHBondContact O-N 3.39Å; T91-L94 PolarHBondContact O-N 2.68Å; T91-N95 VanDerWaalsContact O-CG 3.22Å; T91-N95 PolarHBondContact O-N 3.43Å; T91-N95 PolarHBondContact O-ND2 3.39Å
92H91.1Very high86.1Confident122 Ų12276.1 Ų76.157%0.56541%0.407SS*.Hα-helixtrans-61.4-46.1177.7-178.4-80.1000112.1E88 F89 I90 L94 N95 Q96E88-H92 WeakPolarHBondContact O-CB 3.46Å; E88-H92 PolarHBondContact O-N 2.58Å; F89-H92 PolarHBondContact O-N 2.83Å; I90-H92 PolarHBondContact O-N 2.71Å; H92-L94 VanDerWaalsContact C-N 3.33Å; H92-L94 PolarHBondContact O-N 2.79Å; H92-N95 PolarHBondContact O-N 2.84Å; H92-Q96 PolarHBondContact O-N 2.86Å
93S90.3Very high84.4Confident12 Ų1273.9 Ų73.98%0.08439%0.391CS..Hα-helixtrans-63.4-38.3-179.5-620000112.5F89 I90 T91 A97F89-S93 WeakPolarHBondContact CE1-OG 3.24Å; F89-S93 WeakPolarHBondContact CZ-OG 3.38Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.27Å; F89-S93 PolarHBondContact O-N 2.76Å; F89-S93 PolarHBondContact O-OG 3.17Å; I90-S93 PolarHBondContact O-N 2.87Å; T91-S93 PolarHBondContact O-N 3.39Å; S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.95Å
94L89.7Confident82.6Confident16 Ų1672.1 Ų72.18%0.08440%0.396CS..Hα-helixtrans-68.9-41.6176.6-69.3171.6000111.8I90 T91 H92 Q96 A97 A98 I115 Y118I90-L94 HydrophobicContact CG2-CD1 3.72Å; I90-L94 HydrophobicContact CG2-CG 4.26Å; I90-L94 WeakPolarHBondContact O-CB 3.47Å; I90-L94 VanDerWaalsContact O-CG 3.27Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.3Å; T91-L94 PolarHBondContact O-N 2.68Å; H92-L94 VanDerWaalsContact C-N 3.33Å; H92-L94 PolarHBondContact O-N 2.79Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; L94-Q96 PolarHBondContact O-N 3.26Å; L94-A97 PolarHBondContact O-N 3.19Å; L94-A98 VanDerWaalsContact O-CB 3.31Å; L94-A98 WeakPolarHBondContact O-CB 3.23Å; L94-A98 PolarHBondContact O-N 2.8Å; L94-I115 HydrophobicContact CD2-CG2 3.98Å; L94-Y118 HydrophobicContact CD2-CD1 3.75Å; L94-Y118 HydrophobicContact CD2-CE1 4.41Å
95N87.7Confident80.8Confident86 Ų8670.7 Ų70.746%0.4640%0.4SS..Hα-helixtrans-62.3-42.2176.2-70.4-17.9000111.6T91 H92 A98 T99T91-N95 VanDerWaalsContact O-CG 3.22Å; T91-N95 PolarHBondContact O-N 3.43Å; T91-N95 PolarHBondContact O-ND2 3.39Å; H92-N95 PolarHBondContact O-N 2.84Å; N95-A98 PolarHBondContact O-N 3.11Å; N95-T99 PolarHBondContact O-N 3.09Å; N95-T99 PolarHBondContact O-OG1 2.94Å
96Q88.2Confident78.8Confident94 Ų9479.7 Ų79.744%0.43944%0.442SS..Hα-helixtrans-62.6-48.5175-174.9177.8-8.600111.2H92 L94 A98 T99 E100H92-Q96 PolarHBondContact O-N 2.86Å; L94-Q96 VanDerWaalsContact C-N 3.33Å; L94-Q96 PolarHBondContact O-N 3.26Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.46Å; Q96-T99 PolarHBondContact O-N 3.49Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.1Å; Q96-E100 PolarHBondContact NE2-OE1 2.88Å; Q96-E100 PolarHBondContact O-N 3.29Å
97A86.2Confident76.8Confident28 Ų2879.8 Ų79.823%0.23144%0.44CS..Hα-helixtrans-60.7-37.2177.900000112.5S93 L94 T99 S101 Y118S93-A97 WeakPolarHBondContact O-CB 3.38Å; S93-A97 PolarHBondContact O-N 2.95Å; L94-A97 PolarHBondContact O-N 3.19Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-S101 WeakPolarHBondContact O-CB 3.48Å; A97-S101 PolarHBondContact O-N 3.09Å; A97-Y118 HydrophobicContact CB-CD1 4.34Å; A97-Y118 HydrophobicContact CB-CE1 4.38Å
98A81.4Confident74.9Confident9 Ų979 Ų797%0.07443%0.432CS..Hα-helixtrans-70.9-26.5176.200000113L94 N95 Q96 V105 I115L94-A98 VanDerWaalsContact O-CB 3.31Å; L94-A98 WeakPolarHBondContact O-CB 3.23Å; L94-A98 PolarHBondContact O-N 2.8Å; N95-A98 PolarHBondContact O-N 3.11Å; Q96-A98 VanDerWaalsContact C-N 3.28Å; Q96-A98 PolarHBondContact O-N 3.46Å; A98-V105 HydrophobicContact CB-CG2 4.03Å; A98-I115 HydrophobicContact CB-CD1 3.92Å
99T81.2Confident73.1Confident120 Ų12077.3 Ų77.374%0.73644%0.436SS*.Hα-helixtrans-78.8-36.4176.1-52.20000111.5N95 Q96 A97N95-T99 PolarHBondContact O-N 3.09Å; N95-T99 PolarHBondContact O-OG1 2.94Å; Q96-T99 PolarHBondContact O-N 3.49Å; A97-T99 VanDerWaalsContact C-N 3.32Å
100E75.4Confident71.9Confident141 Ų14176.8 Ų76.866%0.65944%0.436SS*.Hα-helixtrans-80.5-28.7178.6-68.9174.4-16900112.5Q96Q96-E100 WeakPolarHBondContact CG-OE1 3.1Å; Q96-E100 PolarHBondContact NE2-OE1 2.88Å; Q96-E100 PolarHBondContact O-N 3.29Å
101S63.8Low70.4Confident36 Ų3679.8 Ų79.825%0.25246%0.457SS..SBendtrans-81.7126.6172.8-173.60000108.9A97 V103A97-S101 WeakPolarHBondContact O-CB 3.48Å; A97-S101 PolarHBondContact O-N 3.09Å; S101-V103 PolarHBondContact O-N 3.16Å; S101-V103 WeakPolarHBondContact OG-CG2 3.26Å
102T54.1Low69.2Low153 Ų15378.9 Ų78.994%0.93946%0.455SS*.SBendtrans-6829.8175.547.60000113.6
103V51.3Low68.6Low57 Ų5773.8 Ų73.835%0.34543%0.432SS..SBendtrans-123.1130.1-170.7-163.90000107.8S101S101-V103 PolarHBondContact O-N 3.16Å; S101-V103 WeakPolarHBondContact OG-CG2 3.26Å
104P50.6Low67.9Low93 Ų9376.7 Ų76.760%0.60445%0.453SS*.  trans-62148.2-171.721.6-31.6000114.2E106P104-E106 VanDerWaalsContact C-N 3.26Å; P104-E106 PolarHBondContact O-N 2.96Å
105V53.5Low67.6Low85 Ų8576.3 Ų76.352%0.51545%0.451SS..G310 helixtrans-64.5-20.1-171.2-176.10000114A98 D107A98-V105 HydrophobicContact CB-CG2 4.03Å; V105-D107 PolarHBondContact O-N 3.22Å; V105-D107 VanDerWaalsContact O-N 3.08Å
106E51.3Low67.4Low190 Ų19072.4 Ų72.489%0.88843%0.431SS*.G310 helixtrans-68.7-4.7-176.7-74.7-175.3148.500114.8P104P104-E106 VanDerWaalsContact C-N 3.26Å; P104-E106 PolarHBondContact O-N 2.96Å
107D52.9Low67.1Low62 Ų6269 Ų6933%0.33242%0.416SS..G310 helixtrans-98.87.7-176.4-102.2-16.9000115.1V105 C109 D110 T113V105-D107 PolarHBondContact O-N 3.22Å; V105-D107 VanDerWaalsContact O-N 3.08Å; D107-C109 PolarHBondContact O-N 2.92Å; D107-D110 PolarHBondContact O-N 3.31Å; D107-D110 VanDerWaalsContact O-N 3.17Å; D107-T113 HydrophobicContact CB-CG2 3.58Å; D107-T113 PolarHBondContact O-OG1 2.67Å; D107-T113 WeakPolarHBondContact OD2-CG2 2.99Å
108S53.6Low67.1Low41 Ų4170.4 Ų70.429%0.28742%0.416SS..THydrogen-bonded Turntrans-66.8-19.3-178.366.80000114.4G116S108-G116 WeakPolarHBondContact O-CA 2.99Å
109C56Low67.5Low126 Ų12671 Ų7185%0.85142%0.42SS*.THydrogen-bonded Turntrans-93.5-13.3177.7-65.90000112.8D107 S111D107-C109 PolarHBondContact O-N 2.92Å; C109-S111 PolarHBondContact O-N 3.18Å
110D66.3Low67.7Low57 Ų5768.3 Ų68.331%0.30540%0.4SS..  trans-85.9107.6176.1-179.617.3000110.3D107 S112 T113 G116D107-D110 PolarHBondContact O-N 3.31Å; D107-D110 VanDerWaalsContact O-N 3.17Å; D110-S112 VanDerWaalsContact CG-OG 3.27Å; D110-S112 PolarHBondContact O-N 3.14Å; D110-S112 WeakPolarHBondContact OD1-CA 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.14Å; D110-S112 PolarHBondContact OD1-OG 3.28Å; D110-S112 WeakPolarHBondContact OD2-CB 3.3Å; D110-S112 PolarHBondContact OD2-OG 3.39Å; D110-T113 HydrophobicContact CB-CG2 4.15Å; D110-T113 PolarHBondContact O-N 2.95Å; D110-T113 PolarHBondContact O-OG1 3.2Å; D110-G116 WeakPolarHBondContact O-CA 3.34Å
111S62.3Low68.3Low65 Ų6562 Ų6246%0.45537%0.371SS..THydrogen-bonded Turntrans-56.8-15.6172.565.90000113.6C109 T113 T117C109-S111 PolarHBondContact O-N 3.18Å; S111-T113 VanDerWaalsContact C-N 3.28Å; S111-T117 PolarHBondContact O-OG1 2.97Å
112S65.6Low69.6Low64 Ų6460.3 Ų60.345%0.44836%0.359SS..THydrogen-bonded Turntrans-83.57.1172.9112.10000113.9D110 R159D110-S112 VanDerWaalsContact CG-OG 3.27Å; D110-S112 PolarHBondContact O-N 3.14Å; D110-S112 WeakPolarHBondContact OD1-CA 3.23Å; D110-S112 WeakPolarHBondContact OD1-CB 3.43Å; D110-S112 PolarHBondContact OD1-N 3.14Å; D110-S112 PolarHBondContact OD1-OG 3.28Å; D110-S112 WeakPolarHBondContact OD2-CB 3.3Å; D110-S112 PolarHBondContact OD2-OG 3.39Å; S112-R159 PolarHBondContact O-NH1 3.06Å; S112-R159 PolarHBondContact O-NH2 2.96Å
113T78.9Confident71.3Confident15 Ų1557.4 Ų57.49%0.09234%0.335CS..SBendtrans-108.3162.9166.572.40000112.3D107 D110 S111 I115 G116 T117D107-T113 HydrophobicContact CB-CG2 3.58Å; D107-T113 PolarHBondContact O-OG1 2.67Å; D107-T113 WeakPolarHBondContact OD2-CG2 2.99Å; D110-T113 HydrophobicContact CB-CG2 4.15Å; D110-T113 PolarHBondContact O-N 2.95Å; D110-T113 PolarHBondContact O-OG1 3.2Å; S111-T113 VanDerWaalsContact C-N 3.28Å; T113-I115 VanDerWaalsContact C-N 3.27Å; T113-G116 PolarHBondContact OG1-N 3.16Å; T113-T117 WeakPolarHBondContact O-CB 3.32Å; T113-T117 PolarHBondContact O-N 3.09Å; T113-T117 PolarHBondContact O-OG1 2.8Å
114S76.8Confident73.1Confident73 Ų7358 Ų5851%0.5134%0.341SS..Hα-helixtrans-62.6-37.217245.60000111.5Y118S114-Y118 WeakPolarHBondContact O-CB 3.38Å; S114-Y118 PolarHBondContact O-N 3.08Å
115I83.4Confident75Confident8 Ų855 Ų554%0.04132%0.319CS..Hα-helixtrans-69-46.3178.7-61.6172.9000110.4L94 A98 T113 T117 Y118 S119L94-I115 HydrophobicContact CD2-CG2 3.98Å; A98-I115 HydrophobicContact CB-CD1 3.92Å; T113-I115 VanDerWaalsContact C-N 3.27Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 3.43Å; I115-Y118 PolarHBondContact O-N 3.02Å; I115-S119 WeakPolarHBondContact O-CB 3.46Å; I115-S119 PolarHBondContact O-N 3.33Å
116G82.9Confident76.9Confident4 Ų455.4 Ų55.44%0.04132%0.316CS..Hα-helixtrans-65.3-34.6176.200000113.1S108 D110 T113 S119 L120S108-G116 WeakPolarHBondContact O-CA 2.99Å; D110-G116 WeakPolarHBondContact O-CA 3.34Å; T113-G116 PolarHBondContact OG1-N 3.16Å; G116-S119 WeakPolarHBondContact O-CB 3.43Å; G116-S119 PolarHBondContact O-N 3.07Å; G116-L120 PolarHBondContact O-N 3.37Å
117T82.2Confident78.8Confident22 Ų2247.9 Ų47.914%0.13529%0.289CS..Hα-helixtrans-63.1-45.7170.4-70.60000112.1S111 T113 I115 S119 L120 L121 R159 I163S111-T117 PolarHBondContact O-OG1 2.97Å; T113-T117 WeakPolarHBondContact O-CB 3.32Å; T113-T117 PolarHBondContact O-N 3.09Å; T113-T117 PolarHBondContact O-OG1 2.8Å; I115-T117 VanDerWaalsContact C-N 3.32Å; I115-T117 PolarHBondContact O-N 3.43Å; T117-S119 VanDerWaalsContact C-N 3.31Å; T117-S119 PolarHBondContact O-N 3.08Å; T117-L120 PolarHBondContact O-N 3.3Å; T117-L121 HydrophobicContact CG2-CD1 4.28Å; T117-L121 WeakPolarHBondContact O-CG 3.31Å; T117-L121 PolarHBondContact O-N 3.49Å; T117-R159 WeakPolarHBondContact OG1-CD 3.48Å; T117-I163 HydrophobicContact CG2-CD1 3.49Å; T117-I163 VanDerWaalsContact CG2-CD1 3.49Å; T117-I163 HydrophobicContact CG2-CG1 4.19Å
118Y86.4Confident80.6Confident58 Ų5850.8 Ų50.823%0.22730%0.295CS..Hα-helixtrans-62.3-39.8176.4-179.3-129.3000111.8L94 A97 S114 I115 L121 L122 F133 M137L94-Y118 HydrophobicContact CD2-CD1 3.75Å; L94-Y118 HydrophobicContact CD2-CE1 4.41Å; A97-Y118 HydrophobicContact CB-CD1 4.34Å; A97-Y118 HydrophobicContact CB-CE1 4.38Å; S114-Y118 WeakPolarHBondContact O-CB 3.38Å; S114-Y118 PolarHBondContact O-N 3.08Å; I115-Y118 PolarHBondContact O-N 3.02Å; Y118-L121 PolarHBondContact O-N 3.19Å; Y118-L122 HydrophobicContact CD1-CD1 4.14Å; Y118-L122 HydrophobicContact CD2-CD1 4.36Å; Y118-L122 HydrophobicContact CD2-CG 4.28Å; Y118-L122 HydrophobicContact CE1-CD1 3.67Å; Y118-L122 HydrophobicContact CE2-CD1 3.91Å; Y118-L122 HydrophobicContact CE2-CD2 4.26Å; Y118-L122 HydrophobicContact CE2-CG 3.89Å; Y118-L122 HydrophobicContact CG-CD1 4.46Å; Y118-L122 WeakPolarHBondContact O-CG 3.4Å; Y118-L122 PolarHBondContact O-N 3.42Å; Y118-F133 HydrophobicContact CE2-CE1 4.24Å; Y118-F133 HydrophobicContact CE2-CZ 4.06Å; Y118-M137 HydrophobicContact CE2-SD 4.44Å
119S88.4Confident82.3Confident22 Ų2249 Ų4915%0.15428%0.283CS..Hα-helixtrans-57.3-51.8172.9-177.40000111.5I115 G116 T117 L121 L122 Q123I115-S119 WeakPolarHBondContact O-CB 3.46Å; I115-S119 PolarHBondContact O-N 3.33Å; G116-S119 WeakPolarHBondContact O-CB 3.43Å; G116-S119 PolarHBondContact O-N 3.07Å; T117-S119 VanDerWaalsContact C-N 3.31Å; T117-S119 PolarHBondContact O-N 3.08Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 PolarHBondContact O-N 2.91Å; S119-L122 PolarHBondContact O-N 3.45Å; S119-Q123 WeakPolarHBondContact O-CB 3.45Å; S119-Q123 WeakPolarHBondContact O-CG 3.43Å; S119-Q123 PolarHBondContact O-N 3.04Å
120L86.1Confident83.8Confident63 Ų6345.7 Ų45.733%0.3326%0.256SS..Hα-helixtrans-62.3-39-178.8-168.5137000112.4G116 T117 S124 I163G116-L120 PolarHBondContact O-N 3.37Å; T117-L120 PolarHBondContact O-N 3.3Å; L120-S124 PolarHBondContact O-N 2.96Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L120-I163 HydrophobicContact CD2-CD1 4.43Å; L120-I163 HydrophobicContact CD2-CG2 4.43Å
121L88.2Confident84.6Confident8 Ų843.8 Ų43.84%0.04225%0.245CC..Hα-helixtrans-61.2-52173.7-78.2171.4000111.5T117 Y118 S119 Q123 S124 Y125 F133 M136 F140 I163T117-L121 HydrophobicContact CG2-CD1 4.28Å; T117-L121 WeakPolarHBondContact O-CG 3.31Å; T117-L121 PolarHBondContact O-N 3.49Å; Y118-L121 PolarHBondContact O-N 3.19Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 PolarHBondContact O-N 2.91Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.42Å; L121-S124 PolarHBondContact O-N 3.39Å; L121-S124 VanDerWaalsContact O-N 3.16Å; L121-S124 PolarHBondContact O-OG 2.9Å; L121-Y125 WeakPolarHBondContact O-CD2 3.42Å; L121-Y125 PolarHBondContact O-N 3.43Å; L121-F133 HydrophobicContact CB-CE2 4.16Å; L121-M136 HydrophobicContact CD2-CG 4.11Å; L121-M136 HydrophobicContact CD2-SD 4.48Å; L121-F140 HydrophobicContact CD2-CE2 4.5Å; L121-I163 HydrophobicContact CD2-CG1 4.44Å; L121-I163 HydrophobicContact CD2-CG2 3.6Å; L121-I163 HydrophobicContact CG-CG2 4.37Å
122L90.6Very high85.8Confident0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-60.1-41.5178.6-77.9175.9000112.6I85 F89 I90 Y118 S119 S124 Y125 M126 F133I85-L122 HydrophobicContact CG2-CD2 4.46Å; F89-L122 HydrophobicContact CE1-CD2 4.06Å; I90-L122 HydrophobicContact CD1-CB 4.06Å; I90-L122 HydrophobicContact CG1-CB 3.93Å; I90-L122 HydrophobicContact CG1-CD1 4.43Å; I90-L122 HydrophobicContact CG2-CB 4.24Å; I90-L122 HydrophobicContact CG2-CD1 4.22Å; Y118-L122 HydrophobicContact CD1-CD1 4.14Å; Y118-L122 HydrophobicContact CD2-CD1 4.36Å; Y118-L122 HydrophobicContact CD2-CG 4.28Å; Y118-L122 HydrophobicContact CE1-CD1 3.67Å; Y118-L122 HydrophobicContact CE2-CD1 3.91Å; Y118-L122 HydrophobicContact CE2-CD2 4.26Å; Y118-L122 HydrophobicContact CE2-CG 3.89Å; Y118-L122 HydrophobicContact CG-CD1 4.46Å; Y118-L122 WeakPolarHBondContact O-CG 3.4Å; Y118-L122 PolarHBondContact O-N 3.42Å; S119-L122 PolarHBondContact O-N 3.45Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.89Å; L122-Y125 CarbonylContact O-C 3.58Å; L122-Y125 PolarHBondContact O-N 3.23Å; L122-M126 PolarHBondContact O-N 2.95Å; L122-F133 HydrophobicContact CD2-CD1 4.29Å; L122-F133 HydrophobicContact CD2-CE1 3.7Å; L122-F133 HydrophobicContact CD2-CE2 4.13Å; L122-F133 HydrophobicContact CD2-CZ 3.61Å; L122-F133 HydrophobicContact CG-CZ 4.11Å
123Q90.4Very high86.8Confident92 Ų9241.5 Ų41.543%0.4322%0.22SC..Hα-helixtrans-59.6-39.7176.7-70.6-76.6-7.700111.5I90 S119 L121 Y125 M126I90-Q123 HydrophobicContact CD1-CG 4.23Å; S119-Q123 WeakPolarHBondContact O-CB 3.45Å; S119-Q123 WeakPolarHBondContact O-CG 3.43Å; S119-Q123 PolarHBondContact O-N 3.04Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.42Å; Q123-Y125 PolarHBondContact O-N 3.18Å; Q123-M126 WeakPolarHBondContact O-CB 3.34Å; Q123-M126 PolarHBondContact O-N 3.35Å; Q123-M126 VanDerWaalsContact O-N 3.14Å
124S88.9Confident87.3Confident69 Ų6943 Ų4348%0.48323%0.226SC..Hα-helixtrans-66.9-16.417774.40000114.2L120 L121 L122L120-S124 PolarHBondContact O-N 2.96Å; L120-S124 VanDerWaalsContact O-N 3.09Å; L121-S124 PolarHBondContact O-N 3.39Å; L121-S124 VanDerWaalsContact O-N 3.16Å; L121-S124 PolarHBondContact O-OG 2.9Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 2.89Å
125Y90.7Very high87.8Confident32 Ų3241.1 Ų41.113%0.12521%0.209CC..THydrogen-bonded Turntrans-107.414.4176.6-79.2-102.1000112.8L121 L122 Q123 G127 R128 E132 F133 M136L121-Y125 WeakPolarHBondContact O-CD2 3.42Å; L121-Y125 PolarHBondContact O-N 3.43Å; L122-Y125 CarbonylContact O-C 3.58Å; L122-Y125 PolarHBondContact O-N 3.23Å; Q123-Y125 PolarHBondContact O-N 3.18Å; Y125-G127 PolarHBondContact O-N 2.8Å; Y125-R128 HydrophobicContact CD1-CB 4.2Å; Y125-R128 HydrophobicContact CD1-CG 4.46Å; Y125-R128 VanDerWaalsContact O-CB 3.24Å; Y125-R128 WeakPolarHBondContact O-CB 3.46Å; Y125-R128 PolarHBondContact O-N 3.21Å; Y125-E132 HydrophobicContact CD1-CB 4.47Å; Y125-E132 HydrophobicContact CE1-CB 4.41Å; Y125-E132 WeakPolarHBondContact CE1-O 3.4Å; Y125-F133 HydrophobicContact CD1-CB 4Å; Y125-F133 HydrophobicContact CD1-CD2 4.11Å; Y125-F133 AromaticContact CD2-CD2 3.72Å; Y125-F133 HydrophobicContact CD2-CD2 3.72Å; Y125-F133 HydrophobicContact CD2-CE2 4.25Å; Y125-F133 HydrophobicContact CE2-CD2 4.24Å; Y125-F133 HydrophobicContact CG-CB 4.32Å; Y125-F133 AromaticContact CG-CD2 3.68Å; Y125-F133 HydrophobicContact CG-CD2 3.68Å; Y125-F133 HydrophobicContact CG-CG 4.47Å; Y125-M136 HydrophobicContact CE2-CE 3.92Å; Y125-M136 VanDerWaalsContact OH-CE 3.27Å; Y125-M136 WeakPolarHBondContact OH-CE 3.38Å
126M93Very high88.1Confident93 Ų9341.2 Ų41.246%0.45821%0.21SC..THydrogen-bonded Turntrans-56.1133.3178-170.2178.3-63.600111.5I90 L122 Q123 R128I90-M126 HydrophobicContact CD1-CE 3.95Å; L122-M126 PolarHBondContact O-N 2.95Å; Q123-M126 WeakPolarHBondContact O-CB 3.34Å; Q123-M126 PolarHBondContact O-N 3.35Å; Q123-M126 VanDerWaalsContact O-N 3.14Å; M126-R128 PolarHBondContact O-N 3.4Å
127G91.4Very high88.4Confident31 Ų3143.5 Ų43.532%0.3222%0.22SC..THydrogen-bonded Turntrans77.8-11.4-175.900000114.6R84 I85 Y125R84-G127 WeakPolarHBondContact CD-O 3.48Å; R84-G127 PolarHBondContact NH1-O 3.18Å; I85-G127 PolarHBondContact O-N 2.93Å; Y125-G127 PolarHBondContact O-N 2.8Å
128R90.9Very high88.9Confident123 Ų12342.6 Ų42.646%0.46422%0.215SC..SBendtrans-82.6166.3172.9-56-167-176.1-152.43.8111.2R84 I85 Y125 M126 E132R84-R128 CarbonylContact C-O 3.6Å; R84-R128 WeakPolarHBondContact CA-O 3.07Å; I85-R128 PolarHBondContact N-O 2.89Å; Y125-R128 HydrophobicContact CD1-CB 4.2Å; Y125-R128 HydrophobicContact CD1-CG 4.46Å; Y125-R128 VanDerWaalsContact O-CB 3.24Å; Y125-R128 WeakPolarHBondContact O-CB 3.46Å; Y125-R128 PolarHBondContact O-N 3.21Å; M126-R128 PolarHBondContact O-N 3.4Å; R128-E132 HydrophobicContact CB-CB 4.42Å
129T89Confident89.2Confident5 Ų540 Ų403%0.03120%0.204CC..BIsolated β-bridgetrans-86.2159.6179.968.20000112.1N78 L131 E132 F133N78-T129 WeakPolarHBondContact ND2-CB 3.44Å; N78-T129 PolarHBondContact ND2-OG1 3.32Å; N78-T129 WeakPolarHBondContact O-CG2 3.49Å; N78-T129 WeakPolarHBondContact OD1-CB 3.09Å; T129-L131 VanDerWaalsContact C-N 3.3Å; T129-L131 PolarHBondContact O-N 3.2Å; T129-E132 WeakPolarHBondContact CB-OE2 3.48Å; T129-E132 PolarHBondContact N-OE2 3.45Å; T129-E132 PolarHBondContact O-N 2.78Å; T129-E132 WeakPolarHBondContact OG1-CG 3.27Å; T129-E132 PolarHBondContact OG1-OE2 3.36Å; T129-F133 PolarHBondContact O-N 2.73Å
130M86.4Confident89.4Confident56 Ų5640.2 Ų40.228%0.27620%0.203SC..Hα-helixtrans-62.7-33.9177.5-77.2-57.9-5800113.2N78 R83 I85 F89 E132 F133 Q134N78-M130 PolarHBondContact OD1-N 3.42Å; R83-M130 PolarHBondContact O-N 2.77Å; I85-M130 HydrophobicContact CD1-SD 4.05Å; I85-M130 HydrophobicContact CG1-SD 3.83Å; F89-M130 HydrophobicContact CE1-SD 3.92Å; F89-M130 HydrophobicContact CZ-CE 4.39Å; F89-M130 HydrophobicContact CZ-SD 3.68Å; M130-E132 VanDerWaalsContact C-N 3.3Å; M130-E132 PolarHBondContact O-N 3.25Å; M130-F133 HydrophobicContact CE-CD1 3.84Å; M130-F133 PolarHBondContact O-N 2.88Å; M130-F133 HydrophobicContact SD-CD1 4.38Å; M130-Q134 VanDerWaalsContact O-CG 3.32Å; M130-Q134 WeakPolarHBondContact O-CG 3.48Å; M130-Q134 PolarHBondContact O-N 3.39Å
131L84.6Confident89.7Confident17 Ų1741.2 Ų41.29%0.08921%0.206CC..Hα-helixtrans-62-37.4175.4-65.1-179.1000111.9L45 S49 F51 N78 T129 F133 Q134L45-L131 HydrophobicContact CD1-CD1 4.47Å; S49-L131 WeakPolarHBondContact OG-CD2 3.29Å; F51-L131 HydrophobicContact CZ-CD2 4.2Å; N78-L131 HydrophobicContact CB-CD1 3.65Å; N78-L131 HydrophobicContact CB-CG 3.94Å; N78-L131 WeakPolarHBondContact ND2-CD1 3.35Å; N78-L131 WeakPolarHBondContact OD1-CG 3.45Å; N78-L131 PolarHBondContact OD1-N 3.19Å; T129-L131 VanDerWaalsContact C-N 3.3Å; T129-L131 PolarHBondContact O-N 3.2Å; L131-F133 VanDerWaalsContact C-N 3.3Å; L131-F133 PolarHBondContact O-N 2.87Å; L131-Q134 VanDerWaalsContact CD2-OE1 3.23Å; L131-Q134 WeakPolarHBondContact O-CB 3.5Å; L131-Q134 PolarHBondContact O-N 3.34Å
132E85.7Confident90.1Very high77 Ų7740.8 Ų40.836%0.3620%0.204SC..Hα-helixtrans-67.1-34.6176.2-68.1165.89700111.9Y125 R128 T129 M130Y125-E132 HydrophobicContact CD1-CB 4.47Å; Y125-E132 HydrophobicContact CE1-CB 4.41Å; Y125-E132 WeakPolarHBondContact CE1-O 3.4Å; R128-E132 HydrophobicContact CB-CB 4.42Å; T129-E132 WeakPolarHBondContact CB-OE2 3.48Å; T129-E132 PolarHBondContact N-OE2 3.45Å; T129-E132 PolarHBondContact O-N 2.78Å; T129-E132 WeakPolarHBondContact OG1-CG 3.27Å; T129-E132 PolarHBondContact OG1-OE2 3.36Å; M130-E132 VanDerWaalsContact C-N 3.3Å; M130-E132 PolarHBondContact O-N 3.25Å
133F88.3Confident90.3Very high3 Ų340.9 Ų40.91%0.01320%0.204CC..Hα-helixtrans-74.3-25.8176.3-177.1-113.9000112.9I85 Y118 L121 L122 Y125 T129 M130 L131 E135 M136 M137I85-F133 HydrophobicContact CD1-CB 3.74Å; I85-F133 HydrophobicContact CD1-CD2 4.49Å; I85-F133 HydrophobicContact CD1-CG 4.05Å; Y118-F133 HydrophobicContact CE2-CE1 4.24Å; Y118-F133 HydrophobicContact CE2-CZ 4.06Å; L121-F133 HydrophobicContact CB-CE2 4.16Å; L122-F133 HydrophobicContact CD2-CD1 4.29Å; L122-F133 HydrophobicContact CD2-CE1 3.7Å; L122-F133 HydrophobicContact CD2-CE2 4.13Å; L122-F133 HydrophobicContact CD2-CZ 3.61Å; L122-F133 HydrophobicContact CG-CZ 4.11Å; Y125-F133 HydrophobicContact CD1-CB 4Å; Y125-F133 HydrophobicContact CD1-CD2 4.11Å; Y125-F133 AromaticContact CD2-CD2 3.72Å; Y125-F133 HydrophobicContact CD2-CD2 3.72Å; Y125-F133 HydrophobicContact CD2-CE2 4.25Å; Y125-F133 HydrophobicContact CE2-CD2 4.24Å; Y125-F133 HydrophobicContact CG-CB 4.32Å; Y125-F133 AromaticContact CG-CD2 3.68Å; Y125-F133 HydrophobicContact CG-CD2 3.68Å; Y125-F133 HydrophobicContact CG-CG 4.47Å; T129-F133 PolarHBondContact O-N 2.73Å; M130-F133 HydrophobicContact CE-CD1 3.84Å; M130-F133 PolarHBondContact O-N 2.88Å; M130-F133 HydrophobicContact SD-CD1 4.38Å; L131-F133 VanDerWaalsContact C-N 3.3Å; L131-F133 PolarHBondContact O-N 2.87Å; F133-E135 PolarHBondContact O-N 2.95Å; F133-M136 WeakPolarHBondContact O-CB 3.35Å; F133-M136 PolarHBondContact O-N 3.42Å; F133-M137 HydrophobicContact CD1-CG 3.61Å; F133-M137 HydrophobicContact CD1-SD 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.22Å; F133-M137 HydrophobicContact CE1-SD 3.48Å; F133-M137 WeakPolarHBondContact CE1-SD 3.49Å; F133-M137 HydrophobicContact CE2-CG 4.34Å; F133-M137 HydrophobicContact CE2-SD 4.25Å; F133-M137 HydrophobicContact CG-CG 4.32Å; F133-M137 HydrophobicContact CZ-CG 3.64Å; F133-M137 HydrophobicContact CZ-SD 3.36Å; F133-M137 WeakPolarHBondContact CZ-SD 3.37Å; F133-M137 PolarHBondContact O-N 3.49Å; F133-M137 VanDerWaalsContact O-N 3.14Å
134Q87.9Confident90.4Very high46 Ų4643.1 Ų43.122%0.21521%0.214CC..Hα-helixtrans-63.4-35.9-175.5-86.6177.6-500114.2S49 M130 L131 M136 M137 T138S49-Q134 PolarHBondContact OG-OE1 3.47Å; M130-Q134 VanDerWaalsContact O-CG 3.32Å; M130-Q134 WeakPolarHBondContact O-CG 3.48Å; M130-Q134 PolarHBondContact O-N 3.39Å; L131-Q134 VanDerWaalsContact CD2-OE1 3.23Å; L131-Q134 WeakPolarHBondContact O-CB 3.5Å; L131-Q134 PolarHBondContact O-N 3.34Å; Q134-M136 VanDerWaalsContact C-N 3.32Å; Q134-M136 PolarHBondContact O-N 2.92Å; Q134-M137 PolarHBondContact O-N 3.41Å; Q134-T138 WeakPolarHBondContact O-CB 3.38Å; Q134-T138 PolarHBondContact O-N 3.46Å; Q134-T138 PolarHBondContact O-OG1 3.47Å
135E87.5Confident90.7Very high35 Ų3541.8 Ų41.816%0.16420%0.199CC..Hα-helixtrans-60.4-46.5178.2-175.369.3-177.800110.2G48 F133 M137 T138 V139 L171 R216G48-E135 WeakPolarHBondContact CA-OE2 3.2Å; F133-E135 PolarHBondContact O-N 2.95Å; E135-M137 PolarHBondContact O-N 3.4Å; E135-T138 PolarHBondContact O-N 2.91Å; E135-V139 WeakPolarHBondContact O-CG2 3.16Å; E135-V139 PolarHBondContact O-N 2.89Å; E135-L171 WeakPolarHBondContact OE1-CB 3.37Å; E135-L171 PolarHBondContact OE1-N 3.44Å; E135-R216 IonicContact OE2-NE 2.58Å
136M89.4Confident90.8Very high10 Ų1040.3 Ų40.35%0.04919%0.193CC..Hα-helixtrans-58.5-48.2175.5-173.168.371.100111.7L121 Y125 F133 Q134 T138 V139 F140L121-M136 HydrophobicContact CD2-CG 4.11Å; L121-M136 HydrophobicContact CD2-SD 4.48Å; Y125-M136 HydrophobicContact CE2-CE 3.92Å; Y125-M136 VanDerWaalsContact OH-CE 3.27Å; Y125-M136 WeakPolarHBondContact OH-CE 3.38Å; F133-M136 WeakPolarHBondContact O-CB 3.35Å; F133-M136 PolarHBondContact O-N 3.42Å; Q134-M136 VanDerWaalsContact C-N 3.32Å; Q134-M136 PolarHBondContact O-N 2.92Å; M136-T138 VanDerWaalsContact C-N 3.26Å; M136-T138 PolarHBondContact O-N 3.27Å; M136-V139 PolarHBondContact O-N 3.39Å; M136-F140 HydrophobicContact CG-CD2 4.03Å; M136-F140 HydrophobicContact CG-CE2 4.2Å; M136-F140 WeakPolarHBondContact O-CD2 3.44Å; M136-F140 PolarHBondContact O-N 3.1Å; M136-F140 HydrophobicContact SD-CD2 3.97Å; M136-F140 HydrophobicContact SD-CE2 3.65Å
137M89.9Confident90.8Very high51 Ų5136.9 Ų36.925%0.25118%0.181SC..Hα-helixtrans-60.5-40179.3-72.5-55.2-57.500111.5Y118 F133 Q134 E135 F140 Q141Y118-M137 HydrophobicContact CE2-SD 4.44Å; F133-M137 HydrophobicContact CD1-CG 3.61Å; F133-M137 HydrophobicContact CD1-SD 4.43Å; F133-M137 HydrophobicContact CE1-CG 3.22Å; F133-M137 HydrophobicContact CE1-SD 3.48Å; F133-M137 WeakPolarHBondContact CE1-SD 3.49Å; F133-M137 HydrophobicContact CE2-CG 4.34Å; F133-M137 HydrophobicContact CE2-SD 4.25Å; F133-M137 HydrophobicContact CG-CG 4.32Å; F133-M137 HydrophobicContact CZ-CG 3.64Å; F133-M137 HydrophobicContact CZ-SD 3.36Å; F133-M137 WeakPolarHBondContact CZ-SD 3.37Å; F133-M137 PolarHBondContact O-N 3.49Å; F133-M137 VanDerWaalsContact O-N 3.14Å; Q134-M137 PolarHBondContact O-N 3.41Å; E135-M137 PolarHBondContact O-N 3.4Å; M137-F140 PolarHBondContact O-N 2.99Å; M137-Q141 WeakPolarHBondContact O-CB 3.48Å; M137-Q141 WeakPolarHBondContact O-CG 3.42Å; M137-Q141 PolarHBondContact O-N 3.27Å
138T93Very high90.9Very high4 Ų436.5 Ų36.53%0.02517%0.172CC..Hα-helixtrans-64.8-44.5178.2-56.40000111.5Q134 E135 M136 F140 Q141 L142 L171 R216 F217Q134-T138 WeakPolarHBondContact O-CB 3.38Å; Q134-T138 PolarHBondContact O-N 3.46Å; Q134-T138 PolarHBondContact O-OG1 3.47Å; E135-T138 PolarHBondContact O-N 2.91Å; M136-T138 VanDerWaalsContact C-N 3.26Å; M136-T138 PolarHBondContact O-N 3.27Å; T138-F140 VanDerWaalsContact C-N 3.34Å; T138-F140 PolarHBondContact O-N 3.42Å; T138-Q141 PolarHBondContact O-N 3.44Å; T138-L142 HydrophobicContact CG2-CD1 4.02Å; T138-L142 HydrophobicContact CG2-CG 4.38Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.05Å; T138-L171 HydrophobicContact CG2-CD2 4.45Å; T138-R216 HydrophobicContact CG2-CB 4.46Å; T138-R216 HydrophobicContact CG2-CG 3.9Å; T138-F217 HydrophobicContact CG2-CB 4.07Å
139V93.2Very high91Very high2 Ų232.8 Ų32.81%0.01216%0.162CC..Hα-helixtrans-56-49.7174.8168.90000110.4E135 M136 Q141 L142 L143 Y166 L171 M175E135-V139 WeakPolarHBondContact O-CG2 3.16Å; E135-V139 PolarHBondContact O-N 2.89Å; M136-V139 PolarHBondContact O-N 3.39Å; V139-Q141 PolarHBondContact O-N 2.98Å; V139-L142 PolarHBondContact O-N 2.89Å; V139-L143 HydrophobicContact CG1-CD1 3.76Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 VanDerWaalsContact O-CG 3.24Å; V139-L143 WeakPolarHBondContact O-CG 3.29Å; V139-L143 PolarHBondContact O-N 3.36Å; V139-Y166 HydrophobicContact CG1-CD1 4.16Å; V139-Y166 HydrophobicContact CG1-CG 4.4Å; V139-L171 HydrophobicContact CG2-CB 4.21Å; V139-M175 HydrophobicContact CG1-CE 3.97Å; V139-M175 HydrophobicContact CG1-SD 4.01Å; V139-M175 HydrophobicContact CG2-SD 4.41Å
140F91.8Very high91.1Very high27 Ų2738.2 Ų38.212%0.11819%0.185CC..Hα-helixtrans-66.7-35.9179.8-86.5-79.3000113.6L121 M136 M137 T138 H144 L149 V162 I163L121-F140 HydrophobicContact CD2-CE2 4.5Å; M136-F140 HydrophobicContact CG-CD2 4.03Å; M136-F140 HydrophobicContact CG-CE2 4.2Å; M136-F140 WeakPolarHBondContact O-CD2 3.44Å; M136-F140 PolarHBondContact O-N 3.1Å; M136-F140 HydrophobicContact SD-CD2 3.97Å; M136-F140 HydrophobicContact SD-CE2 3.65Å; M137-F140 PolarHBondContact O-N 2.99Å; T138-F140 VanDerWaalsContact C-N 3.34Å; T138-F140 PolarHBondContact O-N 3.42Å; F140-H144 WeakPolarHBondContact O-CB 3.3Å; F140-H144 PolarHBondContact O-N 3.23Å; F140-L149 HydrophobicContact CD1-CD1 4.14Å; F140-L149 HydrophobicContact CD1-CD2 4.22Å; F140-L149 HydrophobicContact CE1-CD2 4.22Å; F140-V162 HydrophobicContact CE1-CG1 4.09Å; F140-V162 HydrophobicContact CZ-CG1 4.49Å; F140-I163 HydrophobicContact CZ-CG1 4.1Å
141Q93.3Very high91.3Very high84 Ų8437.5 Ų37.539%0.39319%0.188SC..Hα-helixtrans-63.6-42.2173.6-75.1171.7-30.500111.6M137 T138 V139 H144 W145 F217M137-Q141 WeakPolarHBondContact O-CB 3.48Å; M137-Q141 WeakPolarHBondContact O-CG 3.42Å; M137-Q141 PolarHBondContact O-N 3.27Å; T138-Q141 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-N 2.98Å; Q141-H144 PolarHBondContact O-N 3.41Å; Q141-W145 VanDerWaalsContact O-CB 3.3Å; Q141-W145 WeakPolarHBondContact O-CB 3.34Å; Q141-W145 PolarHBondContact O-N 3.16Å; Q141-F217 HydrophobicContact CB-CD2 3.59Å; Q141-F217 HydrophobicContact CB-CE2 3.64Å; Q141-F217 HydrophobicContact CB-CG 4.4Å; Q141-F217 HydrophobicContact CB-CZ 4.48Å
142L96.1Very high91.7Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-66.6-44.5176.7-71170000111.8T138 V139 H144 W145 N146 L171 M179 F217 E220 K221 I224T138-L142 HydrophobicContact CG2-CD1 4.02Å; T138-L142 HydrophobicContact CG2-CG 4.38Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.05Å; V139-L142 PolarHBondContact O-N 2.89Å; L142-H144 PolarHBondContact O-N 3.46Å; L142-W145 HydrophobicContact CD2-CE3 3.96Å; L142-W145 HydrophobicContact CD2-CZ3 4.25Å; L142-W145 PolarHBondContact O-N 3.26Å; L142-N146 PolarHBondContact O-N 2.78Å; L142-N146 PolarHBondContact O-OD1 2.93Å; L142-L171 HydrophobicContact CD1-CD1 3.7Å; L142-L171 HydrophobicContact CD1-CD2 3.61Å; L142-L171 HydrophobicContact CD1-CG 4.34Å; L142-M179 HydrophobicContact CB-CE 3.82Å; L142-M179 HydrophobicContact CB-SD 4.03Å; L142-F217 HydrophobicContact CD2-CD2 3.86Å; L142-F217 HydrophobicContact CD2-CE2 3.82Å; L142-F217 HydrophobicContact CG-CD2 3.99Å; L142-F217 HydrophobicContact CG-CE2 4.18Å; L142-E220 HydrophobicContact CD1-CB 3.88Å; L142-E220 HydrophobicContact CD2-CB 4.34Å; L142-K221 HydrophobicContact CD2-CB 4.42Å; L142-I224 HydrophobicContact CD1-CD1 4.37Å; L142-I224 HydrophobicContact CD2-CD1 4.18Å
143L93.9Very high91.9Very high2 Ų242.8 Ų42.81%0.0121%0.206CC..Hα-helixtrans-63.3-31.8176.2-67.8168.4000112.7V139 N146 G147 T148 L149 Y166 M179V139-L143 HydrophobicContact CG1-CD1 3.76Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 VanDerWaalsContact O-CG 3.24Å; V139-L143 WeakPolarHBondContact O-CG 3.29Å; V139-L143 PolarHBondContact O-N 3.36Å; L143-N146 VanDerWaalsContact C-OD1 3.32Å; L143-N146 VanDerWaalsContact CA-OD1 3.24Å; L143-N146 WeakPolarHBondContact CA-OD1 3.24Å; L143-N146 PolarHBondContact O-OD1 3.31Å; L143-G147 PolarHBondContact O-N 3.38Å; L143-T148 HydrophobicContact CD2-CG2 3.74Å; L143-T148 PolarHBondContact O-N 3.18Å; L143-L149 HydrophobicContact CB-CD1 4.36Å; L143-L149 HydrophobicContact CB-CD2 3.87Å; L143-L149 HydrophobicContact CB-CG 3.72Å; L143-L149 HydrophobicContact CD1-CD2 4.29Å; L143-L149 PolarHBondContact O-N 3.1Å; L143-Y166 HydrophobicContact CD1-CD1 3.68Å; L143-Y166 HydrophobicContact CD1-CD2 3.57Å; L143-Y166 HydrophobicContact CD1-CE1 3.76Å; L143-Y166 HydrophobicContact CD1-CE2 3.66Å; L143-Y166 HydrophobicContact CD1-CG 3.58Å; L143-Y166 HydrophobicContact CD2-CD1 4.48Å; L143-Y166 HydrophobicContact CD2-CE1 3.77Å; L143-Y166 HydrophobicContact CD2-CE2 4.24Å; L143-Y166 HydrophobicContact CG-CE1 4.38Å; L143-M179 HydrophobicContact CD2-CE 3.61Å; L143-M179 HydrophobicContact CG-CE 3.98Å
144H92.4Very high92.2Very high138 Ų13848.7 Ų48.764%0.63923%0.233SC*.Hα-helixtrans-69.8-52.5172.5179.871.6000110.5F140 Q141 L142 G147 L149F140-H144 WeakPolarHBondContact O-CB 3.3Å; F140-H144 PolarHBondContact O-N 3.23Å; Q141-H144 PolarHBondContact O-N 3.41Å; L142-H144 PolarHBondContact O-N 3.46Å; H144-G147 PolarHBondContact O-N 2.97Å; H144-L149 HydrophobicContact CB-CD1 3.91Å
145W95.3Very high92.5Very high42 Ų4254.3 Ų54.316%0.15926%0.257CS..Hα-helixtrans-60.3-46.6-177.4163.667.9000112.7Q141 L142 G147 W183 E197 F217 K221 I224 L225Q141-W145 VanDerWaalsContact O-CB 3.3Å; Q141-W145 WeakPolarHBondContact O-CB 3.34Å; Q141-W145 PolarHBondContact O-N 3.16Å; L142-W145 HydrophobicContact CD2-CE3 3.96Å; L142-W145 HydrophobicContact CD2-CZ3 4.25Å; L142-W145 PolarHBondContact O-N 3.26Å; W145-G147 PolarHBondContact O-N 3.28Å; W145-W183 HydrophobicContact CD2-CZ2 4.49Å; W145-W183 AromaticContact CE2-CZ2 3.61Å; W145-W183 AromaticContact CH2-CD1 3.98Å; W145-W183 AromaticContact CH2-CE2 3.67Å; W145-W183 AromaticContact CH2-CZ2 3.94Å; W145-W183 HydrophobicContact CH2-CZ2 3.94Å; W145-W183 AromaticContact CH2-NE1 3.06Å; W145-W183 AromaticContact CZ2-CE2 3.52Å; W145-W183 HydrophobicContact CZ2-CH2 4.31Å; W145-W183 AromaticContact CZ2-CZ2 3.28Å; W145-W183 HydrophobicContact CZ2-CZ2 3.28Å; W145-W183 AromaticContact CZ2-NE1 3.43Å; W145-W183 AromaticContact CZ3-NE1 3.57Å; W145-W183 AromaticContact NE1-CZ2 3.92Å; W145-E197 HydrophobicContact CZ2-CG 4.01Å; W145-E197 PolarHBondContact NE1-OE1 3.5Å; W145-F217 HydrophobicContact CB-CE2 4.45Å; W145-F217 HydrophobicContact CB-CZ 4.4Å; W145-K221 HydrophobicContact CD2-CD 4.26Å; W145-K221 HydrophobicContact CD2-CG 4.09Å; W145-K221 VanDerWaalsContact CE2-CE 3.46Å; W145-K221 HydrophobicContact CE3-CG 4.24Å; W145-K221 HydrophobicContact CH2-CB 4.48Å; W145-K221 HydrophobicContact CH2-CG 3.65Å; W145-K221 HydrophobicContact CZ2-CD 4.08Å; W145-K221 HydrophobicContact CZ2-CG 3.5Å; W145-K221 VanDerWaalsContact CZ2-CG 3.5Å; W145-K221 HydrophobicContact CZ3-CG 4.03Å; W145-K221 VanDerWaalsContact NE1-CE 3.25Å; W145-I224 HydrophobicContact CH2-CG2 4.47Å; W145-I224 HydrophobicContact CZ3-CD1 4.49Å; W145-I224 HydrophobicContact CZ3-CG2 4.37Å; W145-L225 HydrophobicContact CH2-CD1 4.04Å; W145-L225 HydrophobicContact CH2-CD2 3.9Å; W145-L225 HydrophobicContact CH2-CG 3.77Å; W145-L225 HydrophobicContact CZ2-CD1 3.83Å; W145-L225 HydrophobicContact CZ2-CD2 3.91Å; W145-L225 HydrophobicContact CZ2-CG 3.98Å
146N94.8Very high92.6Very high1 Ų161.2 Ų61.21%0.00529%0.289CS..THydrogen-bonded Turntrans-76-5.1177.691.4-42.2000112.2L142 L143 T148 M179 D182 R186L142-N146 PolarHBondContact O-N 2.78Å; L142-N146 PolarHBondContact O-OD1 2.93Å; L143-N146 VanDerWaalsContact C-OD1 3.32Å; L143-N146 VanDerWaalsContact CA-OD1 3.24Å; L143-N146 WeakPolarHBondContact CA-OD1 3.24Å; L143-N146 PolarHBondContact O-OD1 3.31Å; N146-T148 PolarHBondContact ND2-OG1 3.37Å; N146-T148 WeakPolarHBondContact OD1-CB 3.41Å; N146-T148 PolarHBondContact OD1-N 2.99Å; N146-T148 PolarHBondContact OD1-OG1 2.95Å; N146-M179 HydrophobicContact CB-CG 4.48Å; N146-D182 PolarHBondContact ND2-OD2 3.03Å; N146-R186 PolarHBondContact O-NH2 2.79Å
147G92.6Very high92.6Very high20 Ų2063.1 Ų63.121%0.20630%0.303CS..SBendtrans82.14.4176.400000115.6L143 H144 W145 L149 K150 A151L143-G147 PolarHBondContact O-N 3.38Å; H144-G147 PolarHBondContact O-N 2.97Å; W145-G147 PolarHBondContact O-N 3.28Å; G147-L149 VanDerWaalsContact C-N 3.28Å; G147-L149 PolarHBondContact O-N 2.88Å; G147-K150 WeakPolarHBondContact O-CB 3.39Å; G147-K150 PolarHBondContact O-N 3.01Å; G147-K150 VanDerWaalsContact O-N 3.08Å; G147-A151 PolarHBondContact O-N 3.42Å
148T93.6Very high92.5Very high23 Ų2363.4 Ų63.414%0.14131%0.31CS..Hα-helixtrans-57.9-40.2175.5-65.20000111.7L143 N146 K150 A151 L152L143-T148 HydrophobicContact CD2-CG2 3.74Å; L143-T148 PolarHBondContact O-N 3.18Å; N146-T148 PolarHBondContact ND2-OG1 3.37Å; N146-T148 WeakPolarHBondContact OD1-CB 3.41Å; N146-T148 PolarHBondContact OD1-N 2.99Å; N146-T148 PolarHBondContact OD1-OG1 2.95Å; T148-K150 VanDerWaalsContact C-N 3.28Å; T148-K150 PolarHBondContact O-N 3.3Å; T148-A151 PolarHBondContact O-N 3.36Å; T148-L152 HydrophobicContact CG2-CD1 3.82Å; T148-L152 HydrophobicContact CG2-CG 4.21Å; T148-L152 WeakPolarHBondContact O-CG 3.36Å; T148-L152 PolarHBondContact O-N 2.93Å
149L91.8Very high92.2Very high45 Ų4568.5 Ų68.524%0.23633%0.329CS..Hα-helixtrans-62.3-36.2176.6-64.7-174.1000112.5F140 L143 H144 G147 R153 V162F140-L149 HydrophobicContact CD1-CD1 4.14Å; F140-L149 HydrophobicContact CD1-CD2 4.22Å; F140-L149 HydrophobicContact CE1-CD2 4.22Å; L143-L149 HydrophobicContact CB-CD1 4.36Å; L143-L149 HydrophobicContact CB-CD2 3.87Å; L143-L149 HydrophobicContact CB-CG 3.72Å; L143-L149 HydrophobicContact CD1-CD2 4.29Å; L143-L149 PolarHBondContact O-N 3.1Å; H144-L149 HydrophobicContact CB-CD1 3.91Å; G147-L149 VanDerWaalsContact C-N 3.28Å; G147-L149 PolarHBondContact O-N 2.88Å; L149-R153 WeakPolarHBondContact O-CB 3.21Å; L149-R153 PolarHBondContact O-N 3.03Å; L149-V162 HydrophobicContact CD2-CG1 3.95Å
150K91.1Very high91.7Very high120 Ų12072.1 Ų72.152%0.52235%0.346SS..Hα-helixtrans-65.1-46.5175.6179.2179.7175-175.20110.6G147 T148 L152 R153 E154G147-K150 WeakPolarHBondContact O-CB 3.39Å; G147-K150 PolarHBondContact O-N 3.01Å; G147-K150 VanDerWaalsContact O-N 3.08Å; T148-K150 VanDerWaalsContact C-N 3.28Å; T148-K150 PolarHBondContact O-N 3.3Å; K150-L152 PolarHBondContact O-N 3.2Å; K150-R153 WeakPolarHBondContact O-CB 3.48Å; K150-R153 PolarHBondContact O-N 3.48Å; K150-E154 WeakPolarHBondContact CE-OE1 3.4Å; K150-E154 WeakPolarHBondContact CG-OE1 3.47Å; K150-E154 WeakPolarHBondContact O-CG 3.25Å; K150-E154 PolarHBondContact O-N 3.28Å
151A92.3Very high91.5Very high40 Ų4074.4 Ų74.433%0.33137%0.365SS..Hα-helixtrans-63.7-39.3178.600000112.7G147 T148 R153 E154 K155G147-A151 PolarHBondContact O-N 3.42Å; T148-A151 PolarHBondContact O-N 3.36Å; A151-R153 VanDerWaalsContact C-N 3.35Å; A151-E154 PolarHBondContact O-N 3.09Å; A151-K155 WeakPolarHBondContact O-CG 3.27Å; A151-K155 PolarHBondContact O-N 3.22Å
152L92.8Very high91.3Very high37 Ų3771.2 Ų71.219%0.19435%0.351CS..Hα-helixtrans-65.3-39.3175.3-70.9170.3000111.7T148 K150 K155 Q156 C157 V162 Y166T148-L152 HydrophobicContact CG2-CD1 3.82Å; T148-L152 HydrophobicContact CG2-CG 4.21Å; T148-L152 WeakPolarHBondContact O-CG 3.36Å; T148-L152 PolarHBondContact O-N 2.93Å; K150-L152 PolarHBondContact O-N 3.2Å; L152-K155 CarbonylContact O-C 3.57Å; L152-K155 PolarHBondContact O-N 3.11Å; L152-Q156 PolarHBondContact O-N 3.5Å; L152-C157 HydrophobicContact CB-CB 4.11Å; L152-C157 HydrophobicContact CD2-CB 4.36Å; L152-C157 WeakPolarHBondContact O-CB 3.47Å; L152-C157 PolarHBondContact O-N 2.84Å; L152-V162 HydrophobicContact CB-CG2 4.36Å; L152-V162 HydrophobicContact CD1-CG1 4.06Å; L152-V162 HydrophobicContact CD1-CG2 3.97Å; L152-Y166 HydrophobicContact CD1-CE2 4.04Å
153R89.8Confident90.9Very high169 Ų16971.6 Ų71.664%0.63835%0.353SS*.Hα-helixtrans-62.8-42.4173.9-176.6-178.264.5-162.21.1111.9L149 K150 A151 K155 Q156L149-R153 WeakPolarHBondContact O-CB 3.21Å; L149-R153 PolarHBondContact O-N 3.03Å; K150-R153 WeakPolarHBondContact O-CB 3.48Å; K150-R153 PolarHBondContact O-N 3.48Å; A151-R153 VanDerWaalsContact C-N 3.35Å; R153-K155 VanDerWaalsContact C-N 3.26Å; R153-K155 PolarHBondContact O-N 3.47Å; R153-Q156 PolarHBondContact O-N 3.46Å
154E93.4Very high90.6Very high127 Ų12774.4 Ų74.459%0.59337%0.371SS*.Hα-helixtrans-64.2-31.8176.3-72.4166.2-175.900112.2K150 A151 Q156K150-E154 WeakPolarHBondContact CE-OE1 3.4Å; K150-E154 WeakPolarHBondContact CG-OE1 3.47Å; K150-E154 WeakPolarHBondContact O-CG 3.25Å; K150-E154 PolarHBondContact O-N 3.28Å; A151-E154 PolarHBondContact O-N 3.09Å; E154-Q156 PolarHBondContact O-N 3.47Å
155K94.1Very high90.5Very high163 Ų16373.4 Ų73.471%0.70936%0.362SS*.THydrogen-bonded Turntrans-80.48.3171.7-68.1178.1179.7-178.90114.1A151 L152 R153 C157A151-K155 WeakPolarHBondContact O-CG 3.27Å; A151-K155 PolarHBondContact O-N 3.22Å; L152-K155 CarbonylContact O-C 3.57Å; L152-K155 PolarHBondContact O-N 3.11Å; R153-K155 VanDerWaalsContact C-N 3.26Å; R153-K155 PolarHBondContact O-N 3.47Å; K155-C157 PolarHBondContact O-N 2.96Å
156Q90.9Very high90.2Very high180 Ų18072.9 Ų72.984%0.84136%0.36SS*.THydrogen-bonded Turntrans56.628.7-178.8-55.6-179.5-2.400113.7L152 R153 E154 S158L152-Q156 PolarHBondContact O-N 3.5Å; R153-Q156 PolarHBondContact O-N 3.46Å; E154-Q156 PolarHBondContact O-N 3.47Å; Q156-S158 PolarHBondContact O-N 3.33Å
157C89.5Confident89.7Confident51 Ų5175.2 Ų75.235%0.34538%0.377SS..  trans-66.3130.8171.5-59.60000109.5L152 K155 V162L152-C157 HydrophobicContact CB-CB 4.11Å; L152-C157 HydrophobicContact CD2-CB 4.36Å; L152-C157 WeakPolarHBondContact O-CB 3.47Å; L152-C157 PolarHBondContact O-N 2.84Å; K155-C157 PolarHBondContact O-N 2.96Å; C157-V162 HydrophobicContact CB-CG2 4.02Å
158S88.1Confident89.2Confident57 Ų5781.9 Ų81.940%0.39940%0.402SS..  trans-67.1143.7177.279.40000110.5Q156 Q160 S161 V162Q156-S158 PolarHBondContact O-N 3.33Å; S158-Q160 PolarHBondContact O-N 2.88Å; S158-S161 PolarHBondContact O-N 2.91Å; S158-S161 VanDerWaalsContact OG-CB 3.29Å; S158-S161 WeakPolarHBondContact OG-CB 3.47Å; S158-S161 PolarHBondContact OG-N 2.7Å; S158-S161 VanDerWaalsContact OG-N 3.08Å; S158-S161 PolarHBondContact OG-OG 2.84Å; S158-V162 WeakPolarHBondContact O-CG2 3.28Å; S158-V162 PolarHBondContact O-N 2.94Å; S158-V162 VanDerWaalsContact O-N 3.13Å
159R84.8Confident88.6Confident111 Ų11185.2 Ų85.242%0.41941%0.412SS..Hα-helixtrans-57.4-40.6176.7-67.9-168.8-177.384.6-21.1111.4S112 T117 S161 V162 I163S112-R159 PolarHBondContact O-NH1 3.06Å; S112-R159 PolarHBondContact O-NH2 2.96Å; T117-R159 WeakPolarHBondContact OG1-CD 3.48Å; R159-S161 PolarHBondContact O-N 3.31Å; R159-V162 PolarHBondContact O-N 3.37Å; R159-I163 WeakPolarHBondContact O-CD1 3.41Å; R159-I163 VanDerWaalsContact O-CG1 3.26Å; R159-I163 WeakPolarHBondContact O-CG1 3.34Å; R159-I163 PolarHBondContact O-N 2.99Å
160Q83.8Confident88.1Confident78 Ų7885 Ų8536%0.36442%0.42SS..Hα-helixtrans-60.2-45178.1-169.360.245.800112.4S158 V162 I163 T164S158-Q160 PolarHBondContact O-N 2.88Å; Q160-V162 VanDerWaalsContact C-N 3.32Å; Q160-V162 PolarHBondContact O-N 3.12Å; Q160-I163 PolarHBondContact O-N 3.48Å; Q160-T164 WeakPolarHBondContact O-CB 3.36Å; Q160-T164 PolarHBondContact O-N 3.31Å; Q160-T164 PolarHBondContact O-OG1 3.44Å
161S88.1Confident87.9Confident75 Ų7579.8 Ų79.852%0.52440%0.398SS..Hα-helixtrans-64.7-38.4178-65.50000111.8S158 R159 Y165S158-S161 PolarHBondContact O-N 2.91Å; S158-S161 VanDerWaalsContact OG-CB 3.29Å; S158-S161 WeakPolarHBondContact OG-CB 3.47Å; S158-S161 PolarHBondContact OG-N 2.7Å; S158-S161 VanDerWaalsContact OG-N 3.08Å; S158-S161 PolarHBondContact OG-OG 2.84Å; R159-S161 PolarHBondContact O-N 3.31Å; S161-Y165 VanDerWaalsContact O-CB 3.26Å; S161-Y165 WeakPolarHBondContact O-CB 3.45Å; S161-Y165 PolarHBondContact O-N 3.43Å
162V89.4Confident87.8Confident17 Ų1780.6 Ų80.610%0.10340%0.397CS..Hα-helixtrans-64-45.3175.7176.80000110.9F140 L149 L152 C157 S158 R159 Q160 Y165 Y166F140-V162 HydrophobicContact CE1-CG1 4.09Å; F140-V162 HydrophobicContact CZ-CG1 4.49Å; L149-V162 HydrophobicContact CD2-CG1 3.95Å; L152-V162 HydrophobicContact CB-CG2 4.36Å; L152-V162 HydrophobicContact CD1-CG1 4.06Å; L152-V162 HydrophobicContact CD1-CG2 3.97Å; C157-V162 HydrophobicContact CB-CG2 4.02Å; S158-V162 WeakPolarHBondContact O-CG2 3.28Å; S158-V162 PolarHBondContact O-N 2.94Å; S158-V162 VanDerWaalsContact O-N 3.13Å; R159-V162 PolarHBondContact O-N 3.37Å; Q160-V162 VanDerWaalsContact C-N 3.32Å; Q160-V162 PolarHBondContact O-N 3.12Å; V162-Y165 PolarHBondContact O-N 3.23Å; V162-Y166 HydrophobicContact CG1-CD2 3.7Å; V162-Y166 HydrophobicContact CG1-CE2 3.94Å; V162-Y166 WeakPolarHBondContact O-CD2 3.48Å; V162-Y166 PolarHBondContact O-N 3.49Å
163I87Confident87.7Confident8 Ų884.1 Ų84.14%0.04141%0.412CS..Hα-helixtrans-59.1-52.9175-65.9160.7000110.8T117 L120 L121 F140 R159 Q160 Y165 Y166 S167T117-I163 HydrophobicContact CG2-CD1 3.49Å; T117-I163 VanDerWaalsContact CG2-CD1 3.49Å; T117-I163 HydrophobicContact CG2-CG1 4.19Å; L120-I163 HydrophobicContact CD2-CD1 4.43Å; L120-I163 HydrophobicContact CD2-CG2 4.43Å; L121-I163 HydrophobicContact CD2-CG1 4.44Å; L121-I163 HydrophobicContact CD2-CG2 3.6Å; L121-I163 HydrophobicContact CG-CG2 4.37Å; F140-I163 HydrophobicContact CZ-CG1 4.1Å; R159-I163 WeakPolarHBondContact O-CD1 3.41Å; R159-I163 VanDerWaalsContact O-CG1 3.26Å; R159-I163 WeakPolarHBondContact O-CG1 3.34Å; R159-I163 PolarHBondContact O-N 2.99Å; Q160-I163 PolarHBondContact O-N 3.48Å; I163-Y165 VanDerWaalsContact C-N 3.26Å; I163-Y165 PolarHBondContact O-N 2.7Å; I163-Y166 PolarHBondContact O-N 3.27Å; I163-S167 WeakPolarHBondContact O-CA 3.15Å; I163-S167 WeakPolarHBondContact O-CB 3.43Å; I163-S167 PolarHBondContact O-N 2.89Å; I163-S167 PolarHBondContact O-OG 3.35Å
164T87.3Confident87.8Confident61 Ų6179.5 Ų79.537%0.37441%0.406SS..Hα-helixtrans-57.7-42.2179.6-59.40000111.4Q160 S167Q160-T164 WeakPolarHBondContact O-CB 3.36Å; Q160-T164 PolarHBondContact O-N 3.31Å; Q160-T164 PolarHBondContact O-OG1 3.44Å; T164-S167 WeakPolarHBondContact CA-OG 3.26Å; T164-S167 PolarHBondContact O-OG 3.43Å
165Y89.4Confident87.8Confident116 Ų11674.2 Ų74.246%0.45538%0.382SS..Hα-helixtrans-65.6-50179.6-179.1-95.6000113.1S161 V162 I163 R169S161-Y165 VanDerWaalsContact O-CB 3.26Å; S161-Y165 WeakPolarHBondContact O-CB 3.45Å; S161-Y165 PolarHBondContact O-N 3.43Å; V162-Y165 PolarHBondContact O-N 3.23Å; I163-Y165 VanDerWaalsContact C-N 3.26Å; I163-Y165 PolarHBondContact O-N 2.7Å; Y165-R169 WeakPolarHBondContact O-CG 3.35Å; Y165-R169 PolarHBondContact OH-NH1 2.98Å
166Y89.4Confident87.9Confident32 Ų3268.5 Ų68.513%0.12536%0.356CS..Hα-helixtrans-81.2-21-177.1-73.4-70.3000113.2V139 L143 L152 V162 I163 Q168 R169 M175V139-Y166 HydrophobicContact CG1-CD1 4.16Å; V139-Y166 HydrophobicContact CG1-CG 4.4Å; L143-Y166 HydrophobicContact CD1-CD1 3.68Å; L143-Y166 HydrophobicContact CD1-CD2 3.57Å; L143-Y166 HydrophobicContact CD1-CE1 3.76Å; L143-Y166 HydrophobicContact CD1-CE2 3.66Å; L143-Y166 HydrophobicContact CD1-CG 3.58Å; L143-Y166 HydrophobicContact CD2-CD1 4.48Å; L143-Y166 HydrophobicContact CD2-CE1 3.77Å; L143-Y166 HydrophobicContact CD2-CE2 4.24Å; L143-Y166 HydrophobicContact CG-CE1 4.38Å; L152-Y166 HydrophobicContact CD1-CE2 4.04Å; V162-Y166 HydrophobicContact CG1-CD2 3.7Å; V162-Y166 HydrophobicContact CG1-CE2 3.94Å; V162-Y166 WeakPolarHBondContact O-CD2 3.48Å; V162-Y166 PolarHBondContact O-N 3.49Å; I163-Y166 PolarHBondContact O-N 3.27Å; Y166-Q168 PolarHBondContact O-N 2.9Å; Y166-R169 CarbonylContact O-C 3.51Å; Y166-R169 PolarHBondContact O-N 3.34Å; Y166-R169 VanDerWaalsContact O-N 3.1Å; Y166-M175 HydrophobicContact CD1-CE 3.74Å; Y166-M175 HydrophobicContact CE1-CE 3.94Å
167S83.9Confident88.1Confident50 Ų5061.7 Ų61.735%0.3533%0.328SS..Hα-helixtrans-66.7-23.5176.958.70000114.6I163 T164I163-S167 WeakPolarHBondContact O-CA 3.15Å; I163-S167 WeakPolarHBondContact O-CB 3.43Å; I163-S167 PolarHBondContact O-N 2.89Å; I163-S167 PolarHBondContact O-OG 3.35Å; T164-S167 WeakPolarHBondContact CA-OG 3.26Å; T164-S167 PolarHBondContact O-OG 3.43Å
168Q82.5Confident88.4Confident159 Ų15962.2 Ų62.274%0.74333%0.332SS*.THydrogen-bonded Turntrans-92.3-5.5177.1-62.3174.91.600112.1Y166Y166-Q168 PolarHBondContact O-N 2.9Å
169R81.8Confident88.8Confident94 Ų9459.6 Ų59.636%0.35531%0.314SS..  trans-119.1112.3-175.7-60.7-177.983.9122.84.4109.2Y165 Y166 M175Y165-R169 WeakPolarHBondContact O-CG 3.35Å; Y165-R169 PolarHBondContact OH-NH1 2.98Å; Y166-R169 CarbonylContact O-C 3.51Å; Y166-R169 PolarHBondContact O-N 3.34Å; Y166-R169 VanDerWaalsContact O-N 3.1Å; R169-M175 HydrophobicContact CB-CE 4.48Å
170G80.3Confident89.4Confident39 Ų3954.3 Ų54.340%0.40229%0.294SS..  trans-67.2178.1168.100000111.7D172G170-D172 VanDerWaalsContact C-N 3.32Å; G170-D172 PolarHBondContact O-N 3.26Å
171L87.3Confident90Very high11 Ų1155.8 Ų55.86%0.05830%0.304CS..SBendtrans-7785.4174.6-171.159.5000110.8E135 T138 V139 L142 M175 R176 E220E135-L171 WeakPolarHBondContact OE1-CB 3.37Å; E135-L171 PolarHBondContact OE1-N 3.44Å; T138-L171 HydrophobicContact CG2-CD2 4.45Å; V139-L171 HydrophobicContact CG2-CB 4.21Å; L142-L171 HydrophobicContact CD1-CD1 3.7Å; L142-L171 HydrophobicContact CD1-CD2 3.61Å; L142-L171 HydrophobicContact CD1-CG 4.34Å; L171-M175 HydrophobicContact CD1-CB 4.43Å; L171-M175 HydrophobicContact CD1-CG 4.18Å; L171-M175 HydrophobicContact CD1-SD 3.61Å; L171-R176 PolarHBondContact O-NH2 3.29Å; L171-E220 HydrophobicContact CD2-CB 3.89Å; L171-E220 HydrophobicContact CD2-CG 3.3Å; L171-E220 WeakPolarHBondContact CD2-OE2 3.15Å
172D89.3Confident90.3Very high58 Ų5855.4 Ų55.431%0.3130%0.296SS..  trans-95.7173-177.17015.7000113.4G170 S174 M175 R176G170-D172 VanDerWaalsContact C-N 3.32Å; G170-D172 PolarHBondContact O-N 3.26Å; D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 WeakPolarHBondContact OD1-CB 3.28Å; D172-S174 PolarHBondContact OD1-N 3.31Å; D172-M175 PolarHBondContact O-N 3.04Å; D172-M175 WeakPolarHBondContact OD1-CB 3.32Å; D172-M175 PolarHBondContact OD1-N 2.85Å; D172-R176 PolarHBondContact O-N 3.42Å; D172-R176 VanDerWaalsContact O-N 3.1Å
173E91Very high90.6Very high110 Ų11055 Ų5551%0.51429%0.292SS..Hα-helixtrans-62.1-33.8179.4-172.854.3-145.900112.7R176 S177E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE2-NH1 2.73Å; E173-S177 VanDerWaalsContact O-CB 3.28Å; E173-S177 WeakPolarHBondContact O-CB 3.47Å; E173-S177 PolarHBondContact O-N 2.89Å; E173-S177 PolarHBondContact O-OG 3.49Å; E173-S177 PolarHBondContact OE1-OG 2.9Å
174S93Very high91.1Very high73 Ų7355.4 Ų55.451%0.5130%0.295SS..Hα-helixtrans-65.3-41.4177.8-178.80000111.3D172 S178D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 WeakPolarHBondContact OD1-CB 3.28Å; D172-S174 PolarHBondContact OD1-N 3.31Å; S174-S178 WeakPolarHBondContact O-CB 3.49Å; S174-S178 PolarHBondContact O-N 2.99Å
175M93.3Very high91.4Very high15 Ų1553.8 Ų53.87%0.07429%0.29CS..Hα-helixtrans-66-46.6176.8-169.9178.4-58.600110.5V139 Y166 R169 L171 D172 S177 S178 M179V139-M175 HydrophobicContact CG1-CE 3.97Å; V139-M175 HydrophobicContact CG1-SD 4.01Å; V139-M175 HydrophobicContact CG2-SD 4.41Å; Y166-M175 HydrophobicContact CD1-CE 3.74Å; Y166-M175 HydrophobicContact CE1-CE 3.94Å; R169-M175 HydrophobicContact CB-CE 4.48Å; L171-M175 HydrophobicContact CD1-CB 4.43Å; L171-M175 HydrophobicContact CD1-CG 4.18Å; L171-M175 HydrophobicContact CD1-SD 3.61Å; D172-M175 PolarHBondContact O-N 3.04Å; D172-M175 WeakPolarHBondContact OD1-CB 3.32Å; D172-M175 PolarHBondContact OD1-N 2.85Å; M175-S177 PolarHBondContact O-N 3.29Å; M175-S178 PolarHBondContact O-N 2.93Å; M175-M179 HydrophobicContact CG-CE 3.72Å; M175-M179 HydrophobicContact CG-SD 4.4Å; M175-M179 VanDerWaalsContact O-CG 3.32Å; M175-M179 WeakPolarHBondContact O-CG 3.41Å; M175-M179 PolarHBondContact O-N 3.36Å; M175-M179 HydrophobicContact SD-CE 3.89Å
176R95.8Very high91.6Very high43 Ų4352.3 Ų52.316%0.16228%0.283CS..Hα-helixtrans-57.7-49176.3-68.5-174.2-168.788.115.7111.8L171 D172 E173 S178 M179 A180 E220 I224L171-R176 PolarHBondContact O-NH2 3.29Å; D172-R176 PolarHBondContact O-N 3.42Å; D172-R176 VanDerWaalsContact O-N 3.1Å; E173-R176 PolarHBondContact O-N 3.35Å; E173-R176 IonicContact OE2-NH1 2.73Å; R176-S178 PolarHBondContact O-N 3.31Å; R176-M179 PolarHBondContact O-N 3.1Å; R176-A180 WeakPolarHBondContact O-CB 3.46Å; R176-A180 PolarHBondContact O-N 2.84Å; R176-E220 IonicContact CZ-OE1 3.45Å; R176-E220 IonicContact CZ-OE2 2.77Å; R176-E220 IonicContact NE-OE1 3.85Å; R176-E220 PolarHBondContact NE-OE1 2.91Å; R176-E220 IonicContact NE-OE2 3.99Å; R176-E220 PolarHBondContact NE-OE2 2.91Å; R176-E220 IonicContact NH2-OE1 3.83Å; R176-E220 PolarHBondContact NH2-OE1 3.04Å; R176-E220 IonicContact NH2-OE2 3.52Å; R176-E220 PolarHBondContact NH2-OE2 2.89Å; R176-I224 HydrophobicContact CB-CG1 4.22Å; R176-I224 HydrophobicContact CG-CG1 4.17Å
177S95.5Very high91.9Very high37 Ų3752.6 Ų52.626%0.25929%0.286SS..Hα-helixtrans-61.9-42.9178.5-74.30000112.1E173 M175 M179 A180 L181E173-S177 VanDerWaalsContact O-CB 3.28Å; E173-S177 WeakPolarHBondContact O-CB 3.47Å; E173-S177 PolarHBondContact O-N 2.89Å; E173-S177 PolarHBondContact O-OG 3.49Å; E173-S177 PolarHBondContact OE1-OG 2.9Å; M175-S177 PolarHBondContact O-N 3.29Å; S177-M179 PolarHBondContact O-N 3.28Å; S177-A180 PolarHBondContact O-N 3.27Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 2.86Å
178S95Very high92.3Very high63 Ų6358 Ų5844%0.44131%0.305SS..Hα-helixtrans-60.1-45.4175.4-176.90000111.9S174 M175 R176 A180 L181 D182S174-S178 WeakPolarHBondContact O-CB 3.49Å; S174-S178 PolarHBondContact O-N 2.99Å; M175-S178 PolarHBondContact O-N 2.93Å; R176-S178 PolarHBondContact O-N 3.31Å; S178-A180 VanDerWaalsContact C-N 3.33Å; S178-L181 PolarHBondContact O-N 3.46Å; S178-D182 PolarHBondContact O-N 3.23Å; S178-D182 VanDerWaalsContact O-N 3.16Å
179M96.6Very high92.9Very high2 Ų259.2 Ų59.21%0.0131%0.308CS..Hα-helixtrans-67.4-35.8178.7-65.6-176.8175.900111.7L142 L143 N146 M175 R176 S177 D182 W183 I224L142-M179 HydrophobicContact CB-CE 3.82Å; L142-M179 HydrophobicContact CB-SD 4.03Å; L143-M179 HydrophobicContact CD2-CE 3.61Å; L143-M179 HydrophobicContact CG-CE 3.98Å; N146-M179 HydrophobicContact CB-CG 4.48Å; M175-M179 HydrophobicContact CG-CE 3.72Å; M175-M179 HydrophobicContact CG-SD 4.4Å; M175-M179 VanDerWaalsContact O-CG 3.32Å; M175-M179 WeakPolarHBondContact O-CG 3.41Å; M175-M179 PolarHBondContact O-N 3.36Å; M175-M179 HydrophobicContact SD-CE 3.89Å; R176-M179 PolarHBondContact O-N 3.1Å; S177-M179 PolarHBondContact O-N 3.28Å; M179-D182 WeakPolarHBondContact O-CB 3.39Å; M179-D182 PolarHBondContact O-N 3.15Å; M179-W183 VanDerWaalsContact O-CD1 3.26Å; M179-W183 PolarHBondContact O-N 3.41Å; M179-W183 VanDerWaalsContact O-N 3.11Å; M179-I224 HydrophobicContact CB-CD1 4.3Å; M179-I224 HydrophobicContact CB-CG2 3.66Å; M179-I224 HydrophobicContact SD-CD1 3.64Å
180A97.3Very high93.6Very high0 Ų056.9 Ų56.90%031%0.309CS..Hα-helixtrans-63.9-41.3175.800000111.9R176 S177 S178 D182 W183 L184 I224 L227 A228R176-A180 WeakPolarHBondContact O-CB 3.46Å; R176-A180 PolarHBondContact O-N 2.84Å; S177-A180 PolarHBondContact O-N 3.27Å; S178-A180 VanDerWaalsContact C-N 3.33Å; A180-D182 PolarHBondContact O-N 3.46Å; A180-W183 PolarHBondContact O-N 2.94Å; A180-L184 PolarHBondContact O-N 2.94Å; A180-I224 HydrophobicContact CB-CG2 4.46Å; A180-L227 HydrophobicContact CB-CB 4.26Å; A180-L227 HydrophobicContact CB-CD2 3.85Å; A180-L227 HydrophobicContact CB-CG 3.92Å; A180-A228 HydrophobicContact CB-CB 3.99Å; A180-A228 WeakPolarHBondContact O-CB 3.41Å
181L95.9Very high94.2Very high108 Ų10860.3 Ų60.357%0.56532%0.324SS*.Hα-helixtrans-62.4-39.6174-70.9171.7000112.5S177 S178 W183 L184 G185S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 2.86Å; S178-L181 PolarHBondContact O-N 3.46Å; L181-W183 VanDerWaalsContact C-N 3.31Å; L181-W183 PolarHBondContact O-N 3.2Å; L181-L184 HydrophobicContact CD2-CD1 4.16Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.43Å; L181-G185 PolarHBondContact O-N 3Å
182D95.6Very high94.6Very high67 Ų6761.7 Ų61.736%0.35834%0.341SS..Hα-helixtrans-60.5-42.7174.3-73.6-25.9000111.4N146 S178 M179 A180 G185 R186N146-D182 PolarHBondContact ND2-OD2 3.03Å; S178-D182 PolarHBondContact O-N 3.23Å; S178-D182 VanDerWaalsContact O-N 3.16Å; M179-D182 WeakPolarHBondContact O-CB 3.39Å; M179-D182 PolarHBondContact O-N 3.15Å; A180-D182 PolarHBondContact O-N 3.46Å; D182-G185 PolarHBondContact O-N 3.38Å; D182-R186 WeakPolarHBondContact O-CG 3.38Å; D182-R186 PolarHBondContact O-N 2.97Å
183W96.4Very high94.9Very high9 Ų961.5 Ų61.53%0.03434%0.34CS..Hα-helixtrans-66.8-40.5176.7-84.9110000112.9W145 M179 A180 L181 G185 R186 E187 L193 L194 E197 L225 A228W145-W183 HydrophobicContact CD2-CZ2 4.49Å; W145-W183 AromaticContact CE2-CZ2 3.61Å; W145-W183 AromaticContact CH2-CD1 3.98Å; W145-W183 AromaticContact CH2-CE2 3.67Å; W145-W183 AromaticContact CH2-CZ2 3.94Å; W145-W183 HydrophobicContact CH2-CZ2 3.94Å; W145-W183 AromaticContact CH2-NE1 3.06Å; W145-W183 AromaticContact CZ2-CE2 3.52Å; W145-W183 HydrophobicContact CZ2-CH2 4.31Å; W145-W183 AromaticContact CZ2-CZ2 3.28Å; W145-W183 HydrophobicContact CZ2-CZ2 3.28Å; W145-W183 AromaticContact CZ2-NE1 3.43Å; W145-W183 AromaticContact CZ3-NE1 3.57Å; W145-W183 AromaticContact NE1-CZ2 3.92Å; M179-W183 VanDerWaalsContact O-CD1 3.26Å; M179-W183 PolarHBondContact O-N 3.41Å; M179-W183 VanDerWaalsContact O-N 3.11Å; A180-W183 PolarHBondContact O-N 2.94Å; L181-W183 VanDerWaalsContact C-N 3.31Å; L181-W183 PolarHBondContact O-N 3.2Å; W183-G185 VanDerWaalsContact C-N 3.33Å; W183-G185 PolarHBondContact O-N 3.47Å; W183-R186 WeakPolarHBondContact O-CB 3.19Å; W183-R186 PolarHBondContact O-N 3.16Å; W183-R186 VanDerWaalsContact O-N 3.1Å; W183-E187 PolarHBondContact O-N 3.04Å; W183-L193 HydrophobicContact CZ3-CD2 4.32Å; W183-L193 HydrophobicContact CZ3-CG 4.34Å; W183-L194 HydrophobicContact CB-CD1 4.2Å; W183-E197 HydrophobicContact CH2-CB 4.07Å; W183-E197 HydrophobicContact CH2-CG 3.52Å; W183-E197 HydrophobicContact CZ2-CG 3.92Å; W183-E197 HydrophobicContact CZ3-CB 4.04Å; W183-E197 HydrophobicContact CZ3-CG 4Å; W183-L225 HydrophobicContact CD2-CD2 3.64Å; W183-L225 HydrophobicContact CE3-CD2 4.08Å; W183-L225 HydrophobicContact CG-CD2 3.87Å; W183-L225 HydrophobicContact CZ2-CD2 4.27Å; W183-A228 HydrophobicContact CB-CB 4.02Å
184L95.5Very high95.1Very high17 Ų1756.3 Ų56.39%0.08932%0.316CS..Hα-helixtrans-57.7-44.8171.7-81.1172.6000112.2A180 L181 R186 E187 Q188 A228 Q231 A232A180-L184 PolarHBondContact O-N 2.94Å; L181-L184 HydrophobicContact CD2-CD1 4.16Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.43Å; L184-R186 PolarHBondContact O-N 3.29Å; L184-E187 PolarHBondContact O-N 3.24Å; L184-Q188 WeakPolarHBondContact O-CG 3.31Å; L184-Q188 PolarHBondContact O-N 2.9Å; L184-A228 WeakPolarHBondContact CD2-O 3.49Å; L184-A228 HydrophobicContact CG-CB 4.17Å; L184-Q231 HydrophobicContact CD1-CB 3.81Å; L184-Q231 HydrophobicContact CD2-CB 4.49Å; L184-A232 HydrophobicContact CD2-CB 3.63Å
185G94Very high95.2Very high26 Ų2655.2 Ų55.227%0.26831%0.311SS..Hα-helixtrans-62.8-26.2176.800000113.4L181 D182 W183 K189L181-G185 PolarHBondContact O-N 3Å; D182-G185 PolarHBondContact O-N 3.38Å; W183-G185 VanDerWaalsContact C-N 3.33Å; W183-G185 PolarHBondContact O-N 3.47Å; G185-K189 WeakPolarHBondContact O-CG 3.3Å
186R94.9Very high95.4Very high86 Ų8659.1 Ų59.133%0.32533%0.33SS..Hα-helixtrans-78.6-41.6173.2-65.5172.8-176.1-169-2.9112.1N146 D182 W183 L184 Q188 K189 A190 L193N146-R186 PolarHBondContact O-NH2 2.79Å; D182-R186 WeakPolarHBondContact O-CG 3.38Å; D182-R186 PolarHBondContact O-N 2.97Å; W183-R186 WeakPolarHBondContact O-CB 3.19Å; W183-R186 PolarHBondContact O-N 3.16Å; W183-R186 VanDerWaalsContact O-N 3.1Å; L184-R186 PolarHBondContact O-N 3.29Å; R186-Q188 VanDerWaalsContact C-N 3.27Å; R186-Q188 PolarHBondContact O-N 3.13Å; R186-K189 PolarHBondContact O-N 3.45Å; R186-A190 PolarHBondContact O-N 3.31Å; R186-L193 HydrophobicContact CB-CD2 3.91Å
187E94.9Very high95.5Very high37 Ų3758.4 Ų58.417%0.17333%0.329CS..Hα-helixtrans-57.8-41.3175.7-17761.7-167.100111.3W183 L184 K189 A190 P191 G192 L193 L194W183-E187 PolarHBondContact O-N 3.04Å; L184-E187 PolarHBondContact O-N 3.24Å; E187-K189 PolarHBondContact O-N 3.23Å; E187-A190 CarbonylContact O-C 3.16Å; E187-A190 PolarHBondContact O-N 3.46Å; E187-P191 WeakPolarHBondContact O-CA 3.39Å; E187-P191 VanDerWaalsContact O-N 3.11Å; E187-G192 VanDerWaalsContact CD-N 3.34Å; E187-G192 PolarHBondContact OE1-N 3Å; E187-G192 PolarHBondContact OE2-N 3.32Å; E187-L193 PolarHBondContact OE2-N 2.94Å; E187-L193 VanDerWaalsContact OE2-N 3.1Å; E187-L194 HydrophobicContact CB-CB 4.11Å; E187-L194 HydrophobicContact CB-CD2 4.42Å; E187-L194 HydrophobicContact CG-CB 4.13Å; E187-L194 HydrophobicContact CG-CD2 4.41Å; E187-L194 WeakPolarHBondContact OE2-CB 3.24Å; E187-L194 PolarHBondContact OE2-N 3.31Å
188Q92.9Very high95.6Very high163 Ų16357.3 Ų57.376%0.76232%0.32SS*.Hα-helixtrans-61-31.6175.2-71175.26.300113.5L184 R186L184-Q188 WeakPolarHBondContact O-CG 3.31Å; L184-Q188 PolarHBondContact O-N 2.9Å; R186-Q188 VanDerWaalsContact C-N 3.27Å; R186-Q188 PolarHBondContact O-N 3.13Å
189K95.1Very high95.7Very high185 Ų18559 Ų5980%0.80432%0.321SS*.Hα-helixtrans-86-31.2179.3-66.7173.4-174.61770112.4G185 R186 E187G185-K189 WeakPolarHBondContact O-CG 3.3Å; R186-K189 PolarHBondContact O-N 3.45Å; E187-K189 PolarHBondContact O-N 3.23Å
190A95.2Very high95.8Very high45 Ų4562.6 Ų62.637%0.37234%0.339SS..SBendtrans-142.285.9-177.600000109.6R186 E187 L193R186-A190 PolarHBondContact O-N 3.31Å; E187-A190 CarbonylContact O-C 3.16Å; E187-A190 PolarHBondContact O-N 3.46Å; A190-L193 HydrophobicContact CB-CB 4.41Å; A190-L193 VanDerWaalsContact O-CB 3.22Å; A190-L193 WeakPolarHBondContact O-CB 3.32Å; A190-L193 PolarHBondContact O-N 3.08Å
191P94.4Very high95.8Very high111 Ų11162.6 Ų62.672%0.72134%0.339SS*.THydrogen-bonded Turntrans-57.8140-179.1-26.535.3000112.7E187 L193E187-P191 WeakPolarHBondContact O-CA 3.39Å; E187-P191 VanDerWaalsContact O-N 3.11Å; P191-L193 VanDerWaalsContact C-N 3.34Å
192G94Very high95.8Very high40 Ų4061.8 Ų61.841%0.41233%0.332SS..THydrogen-bonded Turntrans88.5-10.5-177.500000114.8E187 L194 A195 M196E187-G192 VanDerWaalsContact CD-N 3.34Å; E187-G192 PolarHBondContact OE1-N 3Å; E187-G192 PolarHBondContact OE2-N 3.32Å; G192-L194 PolarHBondContact O-N 3.4Å; G192-A195 PolarHBondContact O-N 3.19Å; G192-M196 WeakPolarHBondContact O-CB 3.4Å; G192-M196 PolarHBondContact O-N 3.44Å; G192-M196 VanDerWaalsContact O-N 3.1Å
193L95.6Very high95.9Very high54 Ų5466 Ų6628%0.28334%0.343SS..Hα-helixtrans-63.2-42.3179.4-179.268.6000111.6W183 R186 E187 A190 P191 M196 E197W183-L193 HydrophobicContact CZ3-CD2 4.32Å; W183-L193 HydrophobicContact CZ3-CG 4.34Å; R186-L193 HydrophobicContact CB-CD2 3.91Å; E187-L193 PolarHBondContact OE2-N 2.94Å; E187-L193 VanDerWaalsContact OE2-N 3.1Å; A190-L193 HydrophobicContact CB-CB 4.41Å; A190-L193 VanDerWaalsContact O-CB 3.22Å; A190-L193 WeakPolarHBondContact O-CB 3.32Å; A190-L193 PolarHBondContact O-N 3.08Å; P191-L193 VanDerWaalsContact C-N 3.34Å; L193-M196 HydrophobicContact CD1-CE 3.84Å; L193-M196 PolarHBondContact O-N 3.03Å; L193-E197 PolarHBondContact O-N 3.48Å
194L96.3Very high95.9Very high1 Ų169.1 Ų69.11%0.00536%0.358CS..Hα-helixtrans-63.4-45.4-179.1178.156000111.8W183 E187 G192 M196 E197 L198 L225 A228 L229W183-L194 HydrophobicContact CB-CD1 4.2Å; E187-L194 HydrophobicContact CB-CB 4.11Å; E187-L194 HydrophobicContact CB-CD2 4.42Å; E187-L194 HydrophobicContact CG-CB 4.13Å; E187-L194 HydrophobicContact CG-CD2 4.41Å; E187-L194 WeakPolarHBondContact OE2-CB 3.24Å; E187-L194 PolarHBondContact OE2-N 3.31Å; G192-L194 PolarHBondContact O-N 3.4Å; L194-M196 VanDerWaalsContact C-N 3.34Å; L194-M196 PolarHBondContact O-N 2.87Å; L194-E197 PolarHBondContact O-N 3.42Å; L194-L198 WeakPolarHBondContact O-CB 3.24Å; L194-L198 PolarHBondContact O-N 3.09Å; L194-L225 HydrophobicContact CD1-CB 4.25Å; L194-L225 HydrophobicContact CD1-CD2 3.6Å; L194-A228 HydrophobicContact CD1-CB 3.97Å; L194-A228 HydrophobicContact CD2-CB 3.93Å; L194-L229 HydrophobicContact CD2-CB 4.02Å; L194-L229 HydrophobicContact CD2-CD1 4.11Å; L194-L229 HydrophobicContact CG-CB 4.33Å; L194-L229 HydrophobicContact CG-CD1 4.36Å
195A95.7Very high95.9Very high50 Ų5069 Ų6941%0.41336%0.357SS..Hα-helixtrans-64-40.7177.400000111.6G192 L198 Q199G192-A195 PolarHBondContact O-N 3.19Å; A195-L198 PolarHBondContact O-N 3.29Å; A195-Q199 PolarHBondContact O-N 2.94Å
196M96.8Very high96Very high97 Ų9770.3 Ų70.348%0.47836%0.36SS..Hα-helixtrans-63.4-48176.3-173.7-17869.200111.7G192 L193 L194 L198 Q199 M200G192-M196 WeakPolarHBondContact O-CB 3.4Å; G192-M196 PolarHBondContact O-N 3.44Å; G192-M196 VanDerWaalsContact O-N 3.1Å; L193-M196 HydrophobicContact CD1-CE 3.84Å; L193-M196 PolarHBondContact O-N 3.03Å; L194-M196 VanDerWaalsContact C-N 3.34Å; L194-M196 PolarHBondContact O-N 2.87Å; M196-L198 VanDerWaalsContact C-N 3.35Å; M196-L198 PolarHBondContact O-N 3.43Å; M196-Q199 PolarHBondContact O-N 3.48Å; M196-M200 HydrophobicContact CE-CE 4.27Å; M196-M200 HydrophobicContact CG-CE 4.23Å; M196-M200 WeakPolarHBondContact O-CG 3.33Å; M196-M200 PolarHBondContact O-N 3.06Å; M196-M200 VanDerWaalsContact O-N 3.09Å
197E97.7Very high96Very high28 Ų2870.7 Ų70.713%0.13137%0.368CS..Hα-helixtrans-63.2-41.1178.3-172.769.7-160.800111.4W145 W183 L193 L194 Q199 M200 A201 K221 L225W145-E197 HydrophobicContact CZ2-CG 4.01Å; W145-E197 PolarHBondContact NE1-OE1 3.5Å; W183-E197 HydrophobicContact CH2-CB 4.07Å; W183-E197 HydrophobicContact CH2-CG 3.52Å; W183-E197 HydrophobicContact CZ2-CG 3.92Å; W183-E197 HydrophobicContact CZ3-CB 4.04Å; W183-E197 HydrophobicContact CZ3-CG 4Å; L193-E197 PolarHBondContact O-N 3.48Å; L194-E197 PolarHBondContact O-N 3.42Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.77Å; E197-M200 PolarHBondContact O-N 2.85Å; E197-M200 WeakPolarHBondContact OE2-CE 3.42Å; E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.77Å; E197-K221 WeakPolarHBondContact OE1-CE 3.37Å; E197-K221 IonicContact OE1-NZ 3.61Å; E197-K221 PolarHBondContact OE1-NZ 3Å; E197-L225 HydrophobicContact CB-CD1 4.34Å; E197-L225 HydrophobicContact CB-CD2 4.17Å; E197-L225 HydrophobicContact CG-CD1 3.75Å; E197-L225 HydrophobicContact CG-CD2 3.87Å; E197-L225 HydrophobicContact CG-CG 4.48Å
198L97.6Very high96.1Very high15 Ų1569 Ų698%0.07936%0.361CS..Hα-helixtrans-60.4-43.7176.4178.359.6000111.5L194 A195 M196 M200 A201 Q202 T222 L225 L229L194-L198 WeakPolarHBondContact O-CB 3.24Å; L194-L198 PolarHBondContact O-N 3.09Å; A195-L198 PolarHBondContact O-N 3.29Å; M196-L198 VanDerWaalsContact C-N 3.35Å; M196-L198 PolarHBondContact O-N 3.43Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.01Å; L198-A201 PolarHBondContact O-N 3.06Å; L198-Q202 HydrophobicContact CD1-CG 4.19Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 VanDerWaalsContact O-CG 3.28Å; L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.02Å; L198-T222 HydrophobicContact CD1-CG2 3.92Å; L198-L225 HydrophobicContact CB-CB 4.1Å; L198-L225 HydrophobicContact CB-CD1 4.39Å; L198-L225 HydrophobicContact CD1-CB 3.78Å; L198-L225 HydrophobicContact CD1-CD1 4.49Å; L198-L225 HydrophobicContact CG-CB 4.45Å; L198-L229 HydrophobicContact CD2-CD2 3.65Å
199Q97.6Very high96.2Very high97 Ų9762 Ų6245%0.45333%0.327SS..Hα-helixtrans-62.1-39.7177-170.6-177.115.100111.8A195 M196 E197 R203A195-Q199 PolarHBondContact O-N 2.94Å; M196-Q199 PolarHBondContact O-N 3.48Å; E197-Q199 VanDerWaalsContact C-N 3.33Å; E197-Q199 PolarHBondContact O-N 2.77Å; Q199-R203 WeakPolarHBondContact O-CG 3.49Å; Q199-R203 PolarHBondContact O-N 3.23Å
200M97.6Very high96.1Very high78 Ų7860.7 Ų60.738%0.38432%0.317SS..Hα-helixtrans-65.3-48175.4-68.8-171.9-67.100111.2M196 E197 L198 Q202 R203 E204M196-M200 HydrophobicContact CE-CE 4.27Å; M196-M200 HydrophobicContact CG-CE 4.23Å; M196-M200 WeakPolarHBondContact O-CG 3.33Å; M196-M200 PolarHBondContact O-N 3.06Å; M196-M200 VanDerWaalsContact O-N 3.09Å; E197-M200 PolarHBondContact O-N 2.85Å; E197-M200 WeakPolarHBondContact OE2-CE 3.42Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.01Å; M200-Q202 VanDerWaalsContact C-N 3.31Å; M200-Q202 PolarHBondContact O-N 3.34Å; M200-R203 WeakPolarHBondContact O-CB 3.33Å; M200-R203 PolarHBondContact O-N 3.48Å; M200-R203 VanDerWaalsContact O-N 3.11Å; M200-E204 WeakPolarHBondContact O-CG 3.26Å; M200-E204 PolarHBondContact O-N 3.42Å
201A97.9Very high96Very high0 Ų067.5 Ų67.50%033%0.333CS..Hα-helixtrans-56.4-43.717800000112.4E197 L198 R203 E204 L205 K221 L225E197-A201 WeakPolarHBondContact O-CB 3.5Å; E197-A201 PolarHBondContact O-N 2.77Å; L198-A201 PolarHBondContact O-N 3.06Å; A201-R203 PolarHBondContact O-N 3.48Å; A201-E204 PolarHBondContact O-N 3.11Å; A201-L205 WeakPolarHBondContact O-CB 3.05Å; A201-L205 PolarHBondContact O-N 3.2Å; A201-K221 HydrophobicContact CB-CD 3.91Å; A201-K221 HydrophobicContact CB-CG 3.86Å; A201-L225 HydrophobicContact CB-CD1 3.7Å
202Q96.4Very high95.8Very high91 Ų9163.7 Ų63.743%0.42531%0.314SS..Hα-helixtrans-63.4-40.5177.4-73.3172.8-15.800112.3L198 M200 L205 V206 T222L198-Q202 HydrophobicContact CD1-CG 4.19Å; L198-Q202 WeakPolarHBondContact O-CB 3.41Å; L198-Q202 VanDerWaalsContact O-CG 3.28Å; L198-Q202 WeakPolarHBondContact O-CG 3.39Å; L198-Q202 PolarHBondContact O-N 3.02Å; M200-Q202 VanDerWaalsContact C-N 3.31Å; M200-Q202 PolarHBondContact O-N 3.34Å; Q202-L205 PolarHBondContact O-N 3.4Å; Q202-V206 WeakPolarHBondContact O-CG2 3.36Å; Q202-V206 PolarHBondContact O-N 3.4Å; Q202-V206 VanDerWaalsContact O-N 3.09Å; Q202-T222 HydrophobicContact CG-CG2 3.8Å
203R96.6Very high95.7Very high156 Ų15665.2 Ų65.259%0.58931%0.312SS*.Hα-helixtrans-65-44.2175.6-70.3173.6-174.3-162.65.9111.2Q199 M200 A201 L205 V206 L207Q199-R203 WeakPolarHBondContact O-CG 3.49Å; Q199-R203 PolarHBondContact O-N 3.23Å; M200-R203 WeakPolarHBondContact O-CB 3.33Å; M200-R203 PolarHBondContact O-N 3.48Å; M200-R203 VanDerWaalsContact O-N 3.11Å; A201-R203 PolarHBondContact O-N 3.48Å; R203-L205 PolarHBondContact O-N 3.3Å; R203-V206 PolarHBondContact O-N 3.27Å; R203-L207 WeakPolarHBondContact O-CG 3.39Å; R203-L207 PolarHBondContact O-N 3.13Å
204E97.4Very high95.6Very high75 Ų7564.2 Ų64.235%0.3531%0.306SS..Hα-helixtrans-59.4-45.5176.5-68.9177143.100111.4M200 A201 V206 L207 A208 Y218 K221M200-E204 WeakPolarHBondContact O-CG 3.26Å; M200-E204 PolarHBondContact O-N 3.42Å; A201-E204 PolarHBondContact O-N 3.11Å; E204-V206 PolarHBondContact O-N 2.89Å; E204-L207 PolarHBondContact O-N 3.07Å; E204-A208 WeakPolarHBondContact O-CB 3.49Å; E204-A208 PolarHBondContact O-N 2.94Å; E204-Y218 HydrophobicContact CB-CD1 3.69Å; E204-Y218 HydrophobicContact CB-CE1 3.88Å; E204-K221 IonicContact OE1-NZ 3.06Å; E204-K221 IonicContact OE2-NZ 2.79Å; E204-K221 PolarHBondContact OE2-NZ 3.17Å
205L96.4Very high95.5Very high13 Ų1364.2 Ų64.27%0.06831%0.306CS..Hα-helixtrans-58.4-44.8176176.858.7000112Y42 A201 Q202 R203 L207 A208 R209 L215Y42-L205 HydrophobicContact CE1-CD1 4.17Å; A201-L205 WeakPolarHBondContact O-CB 3.05Å; A201-L205 PolarHBondContact O-N 3.2Å; Q202-L205 PolarHBondContact O-N 3.4Å; R203-L205 PolarHBondContact O-N 3.3Å; L205-L207 PolarHBondContact O-N 2.97Å; L205-A208 PolarHBondContact O-N 3.46Å; L205-R209 VanDerWaalsContact O-CB 3.29Å; L205-R209 WeakPolarHBondContact O-CB 3.29Å; L205-R209 PolarHBondContact O-N 2.96Å; L205-L215 HydrophobicContact CD1-CB 4.27Å; L205-L215 HydrophobicContact CD1-CD2 4.47Å
206V94.7Very high95.5Very high55 Ų5563 Ų6333%0.33329%0.291SS..Hα-helixtrans-63-42.2177.6171.30000111.5Q202 R203 E204 R210Q202-V206 WeakPolarHBondContact O-CG2 3.36Å; Q202-V206 PolarHBondContact O-N 3.4Å; Q202-V206 VanDerWaalsContact O-N 3.09Å; R203-V206 PolarHBondContact O-N 3.27Å; E204-V206 PolarHBondContact O-N 2.89Å; V206-R210 WeakPolarHBondContact O-CG 3.4Å; V206-R210 PolarHBondContact O-N 3.28Å; V206-R210 VanDerWaalsContact O-N 3.08Å
207L95.4Very high95.5Very high93 Ų9360 Ų6049%0.48728%0.275SS..Hα-helixtrans-66.8-45.6178.3-70.4173.3000111.7R203 E204 L205 R209 R210 R211R203-L207 WeakPolarHBondContact O-CG 3.39Å; R203-L207 PolarHBondContact O-N 3.13Å; E204-L207 PolarHBondContact O-N 3.07Å; L205-L207 PolarHBondContact O-N 2.97Å; L207-R209 PolarHBondContact O-N 3.35Å; L207-R210 PolarHBondContact O-N 3.3Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 2.94Å; L207-R211 VanDerWaalsContact O-N 3.08Å
208A96.1Very high95.5Very high3 Ų361.4 Ų61.43%0.02528%0.28CS..Hα-helixtrans-58.4-47.6176.100000111.1E204 L205 R210 R211 G212 I213 L215 Y218E204-A208 WeakPolarHBondContact O-CB 3.49Å; E204-A208 PolarHBondContact O-N 2.94Å; L205-A208 PolarHBondContact O-N 3.46Å; A208-R210 PolarHBondContact O-N 3.06Å; A208-R211 WeakPolarHBondContact O-CB 3.4Å; A208-R211 PolarHBondContact O-N 2.9Å; A208-R211 VanDerWaalsContact O-N 3.07Å; A208-G212 PolarHBondContact O-N 3.49Å; A208-I213 HydrophobicContact CB-CD1 3.82Å; A208-I213 HydrophobicContact CB-CG1 3.81Å; A208-I213 WeakPolarHBondContact O-CG1 3.49Å; A208-I213 PolarHBondContact O-N 2.94Å; A208-L215 HydrophobicContact CB-CD2 3.66Å; A208-Y218 HydrophobicContact CB-CD2 3.5Å; A208-Y218 HydrophobicContact CB-CE1 4.47Å; A208-Y218 HydrophobicContact CB-CE2 3.44Å; A208-Y218 VanDerWaalsContact CB-CE2 3.44Å; A208-Y218 HydrophobicContact CB-CG 4.06Å
209R95.4Very high95.4Very high15 Ų1561.2 Ų61.26%0.05728%0.278CS..Hα-helixtrans-56.8-46.8176.5-177-174.866.992.6-6.2112.2N53 Y54 L205 L207 R211 G212 L215N53-R209 PolarHBondContact ND2-NH1 2.89Å; N53-R209 VanDerWaalsContact O-CD 3.23Å; N53-R209 WeakPolarHBondContact O-CD 3.49Å; N53-R209 WeakPolarHBondContact O-CG 3.33Å; N53-R209 PolarHBondContact O-NH1 3.08Å; Y54-R209 WeakPolarHBondContact CB-O 3.32Å; L205-R209 VanDerWaalsContact O-CB 3.29Å; L205-R209 WeakPolarHBondContact O-CB 3.29Å; L205-R209 PolarHBondContact O-N 2.96Å; L207-R209 PolarHBondContact O-N 3.35Å; R209-R211 PolarHBondContact O-N 3.34Å; R209-G212 PolarHBondContact O-N 3.22Å; R209-L215 HydrophobicContact CB-CD1 4.05Å; R209-L215 HydrophobicContact CB-CD2 4.2Å; R209-L215 HydrophobicContact CG-CD1 4.17Å
210R92.7Very high95.4Very high157 Ų15756.7 Ų56.759%0.59226%0.257SS*.Hα-helixtrans-65.6-26.4179.2-73.7179.4-179.8-1671.5113.1V206 L207 A208 G212V206-R210 WeakPolarHBondContact O-CG 3.4Å; V206-R210 PolarHBondContact O-N 3.28Å; V206-R210 VanDerWaalsContact O-N 3.08Å; L207-R210 PolarHBondContact O-N 3.3Å; A208-R210 PolarHBondContact O-N 3.06Å; R210-G212 VanDerWaalsContact C-N 3.29Å
211R93.4Very high95.4Very high189 Ų18953.4 Ų53.471%0.71324%0.24SC*.Hα-helixtrans-79.9-10.1173.3-69.4173.6178.8176.4-0.3113.1L207 A208 R209 I213L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 2.94Å; L207-R211 VanDerWaalsContact O-N 3.08Å; A208-R211 WeakPolarHBondContact O-CB 3.4Å; A208-R211 PolarHBondContact O-N 2.9Å; A208-R211 VanDerWaalsContact O-N 3.07Å; R209-R211 PolarHBondContact O-N 3.34Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 HydrophobicContact CB-CG1 4.49Å; R211-I213 HydrophobicContact CB-CG2 4.14Å; R211-I213 PolarHBondContact O-N 3.11Å
212G90.9Very high95.3Very high31 Ų3154.2 Ų54.232%0.3225%0.245SC..THydrogen-bonded Turntrans6826.6-178.700000113.6A208 R209 R210A208-G212 PolarHBondContact O-N 3.49Å; R209-G212 PolarHBondContact O-N 3.22Å; R210-G212 VanDerWaalsContact C-N 3.29Å
213I91.1Very high95.3Very high71 Ų7152.6 Ų52.636%0.36424%0.238SC..  trans-89.5170.6176.464.7168.8000111.1A208 R211 L215 Y218A208-I213 HydrophobicContact CB-CD1 3.82Å; A208-I213 HydrophobicContact CB-CG1 3.81Å; A208-I213 WeakPolarHBondContact O-CG1 3.49Å; A208-I213 PolarHBondContact O-N 2.94Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 HydrophobicContact CB-CG1 4.49Å; R211-I213 HydrophobicContact CB-CG2 4.14Å; R211-I213 PolarHBondContact O-N 3.11Å; I213-L215 VanDerWaalsContact O-CD2 3.26Å; I213-L215 WeakPolarHBondContact O-CD2 3.27Å; I213-L215 WeakPolarHBondContact O-CG 3.16Å; I213-Y218 HydrophobicContact CD1-CE2 4Å
214E93.1Very high95.4Very high34 Ų3445.2 Ų45.216%0.15921%0.21CC..  trans-57.1136.9172.2-158.3-61.3123.500110.5C50 R216C50-E214 PolarHBondContact N-OE1 3.46Å; E214-R216 WeakPolarHBondContact OE1-CB 3.43Å; E214-R216 PolarHBondContact OE1-N 3.33Å; E214-R216 WeakPolarHBondContact OE2-CB 3.03Å; E214-R216 PolarHBondContact OE2-N 3.04Å
215L96.1Very high95.4Very high1 Ų141.6 Ų41.61%0.00519%0.193CC..  trans-115.3-5.9-168.7-55.4-177.1000114.9Y42 C50 G52 L205 A208 R209 I213 F217 Y218 K219Y42-L215 HydrophobicContact CD1-CD1 3.81Å; Y42-L215 HydrophobicContact CE1-CD1 3.88Å; C50-L215 HydrophobicContact CB-CB 4.3Å; C50-L215 WeakPolarHBondContact O-CB 3.13Å; C50-L215 PolarHBondContact O-N 3.04Å; G52-L215 VanDerWaalsContact N-CD1 3.31Å; L205-L215 HydrophobicContact CD1-CB 4.27Å; L205-L215 HydrophobicContact CD1-CD2 4.47Å; A208-L215 HydrophobicContact CB-CD2 3.66Å; R209-L215 HydrophobicContact CB-CD1 4.05Å; R209-L215 HydrophobicContact CB-CD2 4.2Å; R209-L215 HydrophobicContact CG-CD1 4.17Å; I213-L215 VanDerWaalsContact O-CD2 3.26Å; I213-L215 WeakPolarHBondContact O-CD2 3.27Å; I213-L215 WeakPolarHBondContact O-CG 3.16Å; L215-F217 PolarHBondContact O-N 3.43Å; L215-Y218 PolarHBondContact O-N 2.81Å; L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 2.64Å
216R95.4Very high95.4Very high24 Ų2443.3 Ų43.39%0.09121%0.206CC..Hα-helixtrans-57.1-48.4-171.1-177.457.6161.4170.58.4111.1G48 C50 E135 T138 E214 Y218 K219 E220G48-R216 WeakPolarHBondContact O-CD 3.49Å; G48-R216 WeakPolarHBondContact O-CG 3.46Å; G48-R216 PolarHBondContact O-NE 3.05Å; G48-R216 VanDerWaalsContact O-NE 3.11Å; C50-R216 HydrophobicContact CB-CB 4Å; E135-R216 IonicContact OE2-NE 2.58Å; T138-R216 HydrophobicContact CG2-CB 4.46Å; T138-R216 HydrophobicContact CG2-CG 3.9Å; E214-R216 WeakPolarHBondContact OE1-CB 3.43Å; E214-R216 PolarHBondContact OE1-N 3.33Å; E214-R216 WeakPolarHBondContact OE2-CB 3.03Å; E214-R216 PolarHBondContact OE2-N 3.04Å; R216-Y218 PolarHBondContact O-N 3.3Å; R216-K219 PolarHBondContact O-N 3Å; R216-E220 HydrophobicContact CG-CG 4.4Å; R216-E220 IonicContact CZ-OE1 3.59Å; R216-E220 IonicContact NE-OE1 3.54Å; R216-E220 IonicContact NH1-OE1 3.43Å; R216-E220 PolarHBondContact NH1-OE1 2.96Å; R216-E220 IonicContact NH2-OE1 2.8Å; R216-E220 PolarHBondContact NH2-OE1 3.03Å; R216-E220 VanDerWaalsContact O-CB 3.3Å; R216-E220 WeakPolarHBondContact O-CB 3.19Å; R216-E220 WeakPolarHBondContact O-CG 3.43Å; R216-E220 PolarHBondContact O-N 3.22Å
217F96.7Very high95.5Very high33 Ų3342.8 Ų42.815%0.14520%0.201CC..Hα-helixtrans-56.9-49.5177.4172.4-107.6000112.8T138 Q141 L142 W145 L215 K221T138-F217 HydrophobicContact CG2-CB 4.07Å; Q141-F217 HydrophobicContact CB-CD2 3.59Å; Q141-F217 HydrophobicContact CB-CE2 3.64Å; Q141-F217 HydrophobicContact CB-CG 4.4Å; Q141-F217 HydrophobicContact CB-CZ 4.48Å; L142-F217 HydrophobicContact CD2-CD2 3.86Å; L142-F217 HydrophobicContact CD2-CE2 3.82Å; L142-F217 HydrophobicContact CG-CD2 3.99Å; L142-F217 HydrophobicContact CG-CE2 4.18Å; W145-F217 HydrophobicContact CB-CE2 4.45Å; W145-F217 HydrophobicContact CB-CZ 4.4Å; L215-F217 PolarHBondContact O-N 3.43Å; F217-K221 HydrophobicContact CZ-CD 4.42Å; F217-K221 VanDerWaalsContact O-CB 3.29Å; F217-K221 WeakPolarHBondContact O-CB 3.36Å; F217-K221 PolarHBondContact O-N 2.98Å
218Y97.3Very high95.5Very high59 Ų5938.3 Ų38.323%0.23118%0.178CC..Hα-helixtrans-68.7-36.6-177-59.5-76.7000112.9E204 A208 I213 L215 R216 T222E204-Y218 HydrophobicContact CB-CD1 3.69Å; E204-Y218 HydrophobicContact CB-CE1 3.88Å; A208-Y218 HydrophobicContact CB-CD2 3.5Å; A208-Y218 HydrophobicContact CB-CE1 4.47Å; A208-Y218 HydrophobicContact CB-CE2 3.44Å; A208-Y218 VanDerWaalsContact CB-CE2 3.44Å; A208-Y218 HydrophobicContact CB-CG 4.06Å; I213-Y218 HydrophobicContact CD1-CE2 4Å; L215-Y218 PolarHBondContact O-N 2.81Å; R216-Y218 PolarHBondContact O-N 3.3Å; Y218-T222 PolarHBondContact O-N 3.21Å; Y218-T222 VanDerWaalsContact O-N 3.12Å; Y218-T222 PolarHBondContact O-OG1 3.28Å
219K95.8Very high95.5Very high11 Ų1139.9 Ų39.95%0.04819%0.186CC..Hα-helixtrans-65.7-50.8176.9-175.9174.7-177.7-76.90110.4E30 L215 R216 K221 T222 E223E30-K219 VanDerWaalsContact CD-CE 3.43Å; E30-K219 VanDerWaalsContact OE1-CE 3.3Å; E30-K219 WeakPolarHBondContact OE1-CE 3.14Å; E30-K219 IonicContact OE1-NZ 2.66Å; E30-K219 PolarHBondContact OE1-NZ 3.35Å; E30-K219 WeakPolarHBondContact OE2-CE 3.22Å; E30-K219 IonicContact OE2-NZ 3.17Å; E30-K219 PolarHBondContact OE2-NZ 2.87Å; L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 2.64Å; R216-K219 PolarHBondContact O-N 3Å; K219-K221 VanDerWaalsContact C-N 3.34Å; K219-K221 PolarHBondContact O-N 3Å; K219-T222 WeakPolarHBondContact O-CA 3.32Å; K219-T222 WeakPolarHBondContact O-CB 3.42Å; K219-T222 PolarHBondContact O-N 3.08Å; K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.14Å; K219-E223 WeakPolarHBondContact CG-OE1 3.22Å; K219-E223 IonicContact NZ-OE1 2.68Å; K219-E223 PolarHBondContact NZ-OE1 3.48Å; K219-E223 IonicContact NZ-OE2 2.73Å; K219-E223 WeakPolarHBondContact O-CG 3.33Å; K219-E223 PolarHBondContact O-N 3.41Å
220E96.7Very high95.3Very high1 Ų142.1 Ų42.11%0.00520%0.203CC..Hα-helixtrans-63.4-40.4180-70.2-76.8173.400111.8L142 L171 R176 R216 T222 E223 I224L142-E220 HydrophobicContact CD1-CB 3.88Å; L142-E220 HydrophobicContact CD2-CB 4.34Å; L171-E220 HydrophobicContact CD2-CB 3.89Å; L171-E220 HydrophobicContact CD2-CG 3.3Å; L171-E220 WeakPolarHBondContact CD2-OE2 3.15Å; R176-E220 IonicContact CZ-OE1 3.45Å; R176-E220 IonicContact CZ-OE2 2.77Å; R176-E220 IonicContact NE-OE1 3.85Å; R176-E220 PolarHBondContact NE-OE1 2.91Å; R176-E220 IonicContact NE-OE2 3.99Å; R176-E220 PolarHBondContact NE-OE2 2.91Å; R176-E220 IonicContact NH2-OE1 3.83Å; R176-E220 PolarHBondContact NH2-OE1 3.04Å; R176-E220 IonicContact NH2-OE2 3.52Å; R176-E220 PolarHBondContact NH2-OE2 2.89Å; R216-E220 HydrophobicContact CG-CG 4.4Å; R216-E220 IonicContact CZ-OE1 3.59Å; R216-E220 IonicContact NE-OE1 3.54Å; R216-E220 IonicContact NH1-OE1 3.43Å; R216-E220 PolarHBondContact NH1-OE1 2.96Å; R216-E220 IonicContact NH2-OE1 2.8Å; R216-E220 PolarHBondContact NH2-OE1 3.03Å; R216-E220 VanDerWaalsContact O-CB 3.3Å; R216-E220 WeakPolarHBondContact O-CB 3.19Å; R216-E220 WeakPolarHBondContact O-CG 3.43Å; R216-E220 PolarHBondContact O-N 3.22Å; E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.21Å; E220-E223 PolarHBondContact O-N 3.18Å; E220-I224 WeakPolarHBondContact O-CB 3.43Å; E220-I224 WeakPolarHBondContact O-CD1 3.48Å; E220-I224 VanDerWaalsContact O-CG1 3.24Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 3.35Å
221K97.1Very high95.3Very high10 Ų1036.9 Ų36.94%0.04319%0.186CC..Hα-helixtrans-54.3-47.4170.6-173.8179.4169.8175.50111.4L142 W145 E197 A201 E204 F217 K219 L225L142-K221 HydrophobicContact CD2-CB 4.42Å; W145-K221 HydrophobicContact CD2-CD 4.26Å; W145-K221 HydrophobicContact CD2-CG 4.09Å; W145-K221 VanDerWaalsContact CE2-CE 3.46Å; W145-K221 HydrophobicContact CE3-CG 4.24Å; W145-K221 HydrophobicContact CH2-CB 4.48Å; W145-K221 HydrophobicContact CH2-CG 3.65Å; W145-K221 HydrophobicContact CZ2-CD 4.08Å; W145-K221 HydrophobicContact CZ2-CG 3.5Å; W145-K221 VanDerWaalsContact CZ2-CG 3.5Å; W145-K221 HydrophobicContact CZ3-CG 4.03Å; W145-K221 VanDerWaalsContact NE1-CE 3.25Å; E197-K221 WeakPolarHBondContact OE1-CE 3.37Å; E197-K221 IonicContact OE1-NZ 3.61Å; E197-K221 PolarHBondContact OE1-NZ 3Å; A201-K221 HydrophobicContact CB-CD 3.91Å; A201-K221 HydrophobicContact CB-CG 3.86Å; E204-K221 IonicContact OE1-NZ 3.06Å; E204-K221 IonicContact OE2-NZ 2.79Å; E204-K221 PolarHBondContact OE2-NZ 3.17Å; F217-K221 HydrophobicContact CZ-CD 4.42Å; F217-K221 VanDerWaalsContact O-CB 3.29Å; F217-K221 WeakPolarHBondContact O-CB 3.36Å; F217-K221 PolarHBondContact O-N 2.98Å; K219-K221 VanDerWaalsContact C-N 3.34Å; K219-K221 PolarHBondContact O-N 3Å; K221-L225 HydrophobicContact CG-CD1 4.16Å; K221-L225 VanDerWaalsContact O-CD1 3.27Å; K221-L225 WeakPolarHBondContact O-CD1 3.44Å; K221-L225 WeakPolarHBondContact O-CG 2.82Å; K221-L225 PolarHBondContact O-N 2.91Å
222T97Very high95Very high17 Ų1728.5 Ų28.510%0.10416%0.157CC..Hα-helixtrans-66.1-39.9179.4-55.90000111.9L198 Q202 Y218 K219 E220 S226L198-T222 HydrophobicContact CD1-CG2 3.92Å; Q202-T222 HydrophobicContact CG-CG2 3.8Å; Y218-T222 PolarHBondContact O-N 3.21Å; Y218-T222 VanDerWaalsContact O-N 3.12Å; Y218-T222 PolarHBondContact O-OG1 3.28Å; K219-T222 WeakPolarHBondContact O-CA 3.32Å; K219-T222 WeakPolarHBondContact O-CB 3.42Å; K219-T222 PolarHBondContact O-N 3.08Å; E220-T222 VanDerWaalsContact C-N 3.3Å; E220-T222 PolarHBondContact O-N 3.21Å; T222-S226 VanDerWaalsContact O-CB 3.32Å; T222-S226 WeakPolarHBondContact O-CB 3.43Å; T222-S226 PolarHBondContact O-N 2.81Å; T222-S226 PolarHBondContact O-OG 2.76Å
223E96.1Very high94.5Very high57 Ų5734.6 Ų34.627%0.26617%0.171SC..Hα-helixtrans-69.7-45-178.9-75.3170.9177.100112.6K219 E220 L225 S226 L227K219-E223 VanDerWaalsContact CE-OE1 3.23Å; K219-E223 WeakPolarHBondContact CE-OE1 3.14Å; K219-E223 WeakPolarHBondContact CG-OE1 3.22Å; K219-E223 IonicContact NZ-OE1 2.68Å; K219-E223 PolarHBondContact NZ-OE1 3.48Å; K219-E223 IonicContact NZ-OE2 2.73Å; K219-E223 WeakPolarHBondContact O-CG 3.33Å; K219-E223 PolarHBondContact O-N 3.41Å; E220-E223 PolarHBondContact O-N 3.18Å; E223-L225 VanDerWaalsContact C-N 3.31Å; E223-L225 PolarHBondContact O-N 3.1Å; E223-S226 PolarHBondContact O-N 3.35Å; E223-L227 WeakPolarHBondContact O-CB 3.17Å; E223-L227 PolarHBondContact O-N 3.49Å
224I98.1Very high93.8Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-59-44.5176.3-70.4162.7000110.6L142 W145 R176 M179 A180 E220 L227 A228L142-I224 HydrophobicContact CD1-CD1 4.37Å; L142-I224 HydrophobicContact CD2-CD1 4.18Å; W145-I224 HydrophobicContact CH2-CG2 4.47Å; W145-I224 HydrophobicContact CZ3-CD1 4.49Å; W145-I224 HydrophobicContact CZ3-CG2 4.37Å; R176-I224 HydrophobicContact CB-CG1 4.22Å; R176-I224 HydrophobicContact CG-CG1 4.17Å; M179-I224 HydrophobicContact CB-CD1 4.3Å; M179-I224 HydrophobicContact CB-CG2 3.66Å; M179-I224 HydrophobicContact SD-CD1 3.64Å; A180-I224 HydrophobicContact CB-CG2 4.46Å; E220-I224 WeakPolarHBondContact O-CB 3.43Å; E220-I224 WeakPolarHBondContact O-CD1 3.48Å; E220-I224 VanDerWaalsContact O-CG1 3.24Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 3.35Å; I224-L227 PolarHBondContact O-N 2.81Å; I224-A228 PolarHBondContact O-N 3.1Å
225L98Very high92.3Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-68.2-39.2178-66.7165.4000111.9W145 W183 L194 E197 L198 A201 K221 E223 L227 A228 L229W145-L225 HydrophobicContact CH2-CD1 4.04Å; W145-L225 HydrophobicContact CH2-CD2 3.9Å; W145-L225 HydrophobicContact CH2-CG 3.77Å; W145-L225 HydrophobicContact CZ2-CD1 3.83Å; W145-L225 HydrophobicContact CZ2-CD2 3.91Å; W145-L225 HydrophobicContact CZ2-CG 3.98Å; W183-L225 HydrophobicContact CD2-CD2 3.64Å; W183-L225 HydrophobicContact CE3-CD2 4.08Å; W183-L225 HydrophobicContact CG-CD2 3.87Å; W183-L225 HydrophobicContact CZ2-CD2 4.27Å; L194-L225 HydrophobicContact CD1-CB 4.25Å; L194-L225 HydrophobicContact CD1-CD2 3.6Å; E197-L225 HydrophobicContact CB-CD1 4.34Å; E197-L225 HydrophobicContact CB-CD2 4.17Å; E197-L225 HydrophobicContact CG-CD1 3.75Å; E197-L225 HydrophobicContact CG-CD2 3.87Å; E197-L225 HydrophobicContact CG-CG 4.48Å; L198-L225 HydrophobicContact CB-CB 4.1Å; L198-L225 HydrophobicContact CB-CD1 4.39Å; L198-L225 HydrophobicContact CD1-CB 3.78Å; L198-L225 HydrophobicContact CD1-CD1 4.49Å; L198-L225 HydrophobicContact CG-CB 4.45Å; A201-L225 HydrophobicContact CB-CD1 3.7Å; K221-L225 HydrophobicContact CG-CD1 4.16Å; K221-L225 VanDerWaalsContact O-CD1 3.27Å; K221-L225 WeakPolarHBondContact O-CD1 3.44Å; K221-L225 WeakPolarHBondContact O-CG 2.82Å; K221-L225 PolarHBondContact O-N 2.91Å; E223-L225 VanDerWaalsContact C-N 3.31Å; E223-L225 PolarHBondContact O-N 3.1Å; L225-L227 VanDerWaalsContact C-N 3.35Å; L225-A228 PolarHBondContact O-N 3.29Å; L225-L229 VanDerWaalsContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CB 3.45Å; L225-L229 PolarHBondContact O-N 3.28Å
226S96.1Very high90.4Very high49 Ų4948.9 Ų48.934%0.34324%0.243SC..Hα-helixtrans-65.9-39.3176.4-590000111.5T222 E223 L229 S230T222-S226 VanDerWaalsContact O-CB 3.32Å; T222-S226 WeakPolarHBondContact O-CB 3.43Å; T222-S226 PolarHBondContact O-N 2.81Å; T222-S226 PolarHBondContact O-OG 2.76Å; E223-S226 PolarHBondContact O-N 3.35Å; S226-L229 PolarHBondContact O-N 2.74Å; S226-S230 WeakPolarHBondContact O-CB 3.42Å; S226-S230 PolarHBondContact O-N 2.97Å
227L96.5Very high88.1Confident43 Ų4352.9 Ų52.923%0.22527%0.27CS..Hα-helixtrans-61.1-51.4173.8178.161.1000110.5A180 E223 I224 L225 L229 S230 Q231A180-L227 HydrophobicContact CB-CB 4.26Å; A180-L227 HydrophobicContact CB-CD2 3.85Å; A180-L227 HydrophobicContact CB-CG 3.92Å; E223-L227 WeakPolarHBondContact O-CB 3.17Å; E223-L227 PolarHBondContact O-N 3.49Å; I224-L227 PolarHBondContact O-N 2.81Å; L225-L227 VanDerWaalsContact C-N 3.35Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 3.04Å; L227-S230 PolarHBondContact O-N 3.26Å; L227-S230 PolarHBondContact O-OG 2.97Å; L227-Q231 WeakPolarHBondContact O-CG 3.4Å; L227-Q231 PolarHBondContact O-N 3.38Å; L227-Q231 VanDerWaalsContact O-N 3.1Å
228A96.7Very high85.6Confident0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-56.1-44.6175.200000111.6A180 W183 L184 L194 I224 L225 S230 Q231 A232A180-A228 HydrophobicContact CB-CB 3.99Å; A180-A228 WeakPolarHBondContact O-CB 3.41Å; W183-A228 HydrophobicContact CB-CB 4.02Å; L184-A228 WeakPolarHBondContact CD2-O 3.49Å; L184-A228 HydrophobicContact CG-CB 4.17Å; L194-A228 HydrophobicContact CD1-CB 3.97Å; L194-A228 HydrophobicContact CD2-CB 3.93Å; I224-A228 PolarHBondContact O-N 3.1Å; L225-A228 PolarHBondContact O-N 3.29Å; A228-S230 PolarHBondContact O-N 3.1Å; A228-Q231 PolarHBondContact O-N 3.21Å; A228-A232 PolarHBondContact O-N 3.48Å
229L94.5Very high83.1Confident36 Ų3656.7 Ų56.719%0.18832%0.318CS..Hα-helixtrans-65.6-42.1-178.4-175.764.7000111.5L194 L198 L225 S226 L227 Q231 A232 Y233L194-L229 HydrophobicContact CD2-CB 4.02Å; L194-L229 HydrophobicContact CD2-CD1 4.11Å; L194-L229 HydrophobicContact CG-CB 4.33Å; L194-L229 HydrophobicContact CG-CD1 4.36Å; L198-L229 HydrophobicContact CD2-CD2 3.65Å; L225-L229 VanDerWaalsContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CB 3.45Å; L225-L229 PolarHBondContact O-N 3.28Å; S226-L229 PolarHBondContact O-N 2.74Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 3.04Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.38Å; L229-A232 WeakPolarHBondContact O-CB 3.4Å; L229-A232 PolarHBondContact O-N 3.2Å; L229-Y233 HydrophobicContact CD1-CD2 4.11Å; L229-Y233 HydrophobicContact CD1-CE2 3.51Å; L229-Y233 HydrophobicContact CD2-CE2 4.07Å; L229-Y233 HydrophobicContact CG-CD2 3.95Å; L229-Y233 HydrophobicContact CG-CE2 3.54Å; L229-Y233 WeakPolarHBondContact O-CD2 3.39Å; L229-Y233 PolarHBondContact O-N 3.25Å; L229-Y233 VanDerWaalsContact O-N 3.11Å
230S92.6Very high80.5Confident61 Ų6162.7 Ų62.743%0.42736%0.355SS..Hα-helixtrans-59.8-41.1176.373.90000112.1S226 L227 A228 Y233 V234S226-S230 WeakPolarHBondContact O-CB 3.42Å; S226-S230 PolarHBondContact O-N 2.97Å; L227-S230 PolarHBondContact O-N 3.26Å; L227-S230 PolarHBondContact O-OG 2.97Å; A228-S230 PolarHBondContact O-N 3.1Å; S230-Y233 PolarHBondContact O-N 3.22Å; S230-V234 WeakPolarHBondContact O-CG2 3.44Å; S230-V234 PolarHBondContact O-N 3.46Å
231Q92.1Very high77.9Confident47 Ų4772.1 Ų72.122%0.2240%0.396CS..Hα-helixtrans-68.4-38.4176.8-68.9173.23.500111.5L184 L227 A228 L229 Y233 V234 H235L184-Q231 HydrophobicContact CD1-CB 3.81Å; L184-Q231 HydrophobicContact CD2-CB 4.49Å; L227-Q231 WeakPolarHBondContact O-CG 3.4Å; L227-Q231 PolarHBondContact O-N 3.38Å; L227-Q231 VanDerWaalsContact O-N 3.1Å; A228-Q231 PolarHBondContact O-N 3.21Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.38Å; Q231-Y233 VanDerWaalsContact C-N 3.33Å; Q231-Y233 PolarHBondContact O-N 3.08Å; Q231-V234 PolarHBondContact O-N 3.26Å; Q231-H235 PolarHBondContact O-CD2 3.07Å; Q231-H235 PolarHBondContact O-N 3.34Å; Q231-H235 VanDerWaalsContact O-N 3.08Å
232A87.1Confident74.9Confident14 Ų1476.5 Ų76.512%0.11643%0.429CS..Hα-helixtrans-59.1-44175.800000111.6L184 A228 L229 H235 H236L184-A232 HydrophobicContact CD2-CB 3.63Å; A228-A232 PolarHBondContact O-N 3.48Å; L229-A232 WeakPolarHBondContact O-CB 3.4Å; L229-A232 PolarHBondContact O-N 3.2Å; A232-H235 PolarHBondContact O-N 3.01Å; A232-H236 WeakPolarHBondContact O-CB 3.33Å; A232-H236 PolarHBondContact O-CD2 2.99Å; A232-H236 VanDerWaalsContact O-CD2 3.3Å; A232-H236 PolarHBondContact O-N 3.3Å
233Y79.8Confident72.1Confident158 Ų15881.5 Ų81.562%0.6246%0.461SS*.Hα-helixtrans-66.5-38.3178.5-77.5-65.6000113.2L229 S230 Q231 H235 H236 T237L229-Y233 HydrophobicContact CD1-CD2 4.11Å; L229-Y233 HydrophobicContact CD1-CE2 3.51Å; L229-Y233 HydrophobicContact CD2-CE2 4.07Å; L229-Y233 HydrophobicContact CG-CD2 3.95Å; L229-Y233 HydrophobicContact CG-CE2 3.54Å; L229-Y233 WeakPolarHBondContact O-CD2 3.39Å; L229-Y233 PolarHBondContact O-N 3.25Å; L229-Y233 VanDerWaalsContact O-N 3.11Å; S230-Y233 PolarHBondContact O-N 3.22Å; Q231-Y233 VanDerWaalsContact C-N 3.33Å; Q231-Y233 PolarHBondContact O-N 3.08Å; Y233-H235 VanDerWaalsContact C-N 3.33Å; Y233-H235 PolarHBondContact O-N 2.92Å; Y233-H236 PolarHBondContact O-N 2.57Å; Y233-T237 PolarHBondContact O-N 3.05Å; Y233-T237 PolarHBondContact O-OG1 3.42Å
234V77.3Confident69.1Low104 Ų10484.7 Ų84.763%0.6349%0.485SS*.Hα-helixtrans-63.1-40.7175.4173.30000111.1S230 Q231 H236 T237S230-V234 WeakPolarHBondContact O-CG2 3.44Å; S230-V234 PolarHBondContact O-N 3.46Å; Q231-V234 PolarHBondContact O-N 3.26Å; V234-H236 VanDerWaalsContact C-N 3.34Å; V234-T237 PolarHBondContact O-OG1 2.95Å
235H60.9Low66.3Low153 Ų15390.4 Ų90.471%0.70852%0.522SS*.Hα-helixtrans-74-23.1176.5-70.1-60.3000113.6Q231 A232 Y233Q231-H235 PolarHBondContact O-CD2 3.07Å; Q231-H235 PolarHBondContact O-N 3.34Å; Q231-H235 VanDerWaalsContact O-N 3.08Å; A232-H235 PolarHBondContact O-N 3.01Å; Y233-H235 VanDerWaalsContact C-N 3.33Å; Y233-H235 PolarHBondContact O-N 2.92Å
236H56Low63.3Low149 Ų14995.7 Ų95.769%0.6956%0.559SS**THydrogen-bonded Turntrans-88.95.1176.9-88.9-64.7000115.2A232 Y233 V234 P238A232-H236 WeakPolarHBondContact O-CB 3.33Å; A232-H236 PolarHBondContact O-CD2 2.99Å; A232-H236 VanDerWaalsContact O-CD2 3.3Å; A232-H236 PolarHBondContact O-N 3.3Å; Y233-H236 PolarHBondContact O-N 2.57Å; V234-H236 VanDerWaalsContact C-N 3.34Å; H236-P238 WeakPolarHBondContact O-CD 3.38Å
237T48.2Very low60.5Low108 Ų108102.1 Ų102.166%0.66358%0.583SS**  trans-89.482.9160.224.20000110.2Y233 V234 G239Y233-T237 PolarHBondContact O-N 3.05Å; Y233-T237 PolarHBondContact O-OG1 3.42Å; V234-T237 PolarHBondContact O-OG1 2.95Å; T237-G239 PolarHBondContact O-N 2.55Å
238P43.1Very low57.5Low103 Ų103105.6 Ų105.667%0.66961%0.606SS**  trans-64.2134.2161.630-31.7000107.3H236 V240H236-P238 WeakPolarHBondContact O-CD 3.38Å; P238-V240 PolarHBondContact O-N 3.35Å
239G45.3Very low54.4Low69 Ų69112.7 Ų112.771%0.71164%0.644SS**  trans-47.4107.4-172.700000113.5T237 F241T237-G239 PolarHBondContact O-N 2.55Å; G239-F241 PolarHBondContact O-N 3.3Å
240V41.5Very low51.7Low137 Ų137119.9 Ų119.983%0.8368%0.677SS**  trans-77.959.4156.1-171.60000107.3P238P238-V240 PolarHBondContact O-N 3.35Å
241F41.8Very low48.9Very low199 Ų199125 Ų12587%0.87369%0.694SS**  trans-137.866.6162.6-81-75.1000106.2G239 P243G239-F241 PolarHBondContact O-N 3.3Å; F241-P243 WeakPolarHBondContact O-CD 3.06Å
242S34.6Very low46.2Very low103 Ų103130 Ų13072%0.7272%0.717SS**  trans-67.7120.7154.8-52.30000106.6T244S242-T244 PolarHBondContact O-N 2.87Å
243P37.4Very low43.8Very low122 Ų122137.6 Ų137.679%0.79275%0.75SS**  trans-66.9111.3166.326.8-28.6000106.8F241F241-P243 WeakPolarHBondContact O-CD 3.06Å
244T34.6Very low41.6Very low123 Ų123138.4 Ų138.476%0.75576%0.764SS**  trans-51.5126.5161.832.30000108.6S242 S246S242-T244 PolarHBondContact O-N 2.87Å; T244-S246 PolarHBondContact O-N 3.28Å; T244-S246 VanDerWaalsContact O-N 3.13Å
245P38.7Very low40Very low121 Ų121138.7 Ų138.779%0.78677%0.769SS**  trans-69.7111.9167.227.7-28.2000107.3H247P245-H247 PolarHBondContact O-N 3.04Å
246S33.7Very low38.9Very low111 Ų111139 Ų13978%0.77678%0.775SS**  trans-65.5116.4172.538.40000109.6T244T244-S246 PolarHBondContact O-N 3.28Å; T244-S246 VanDerWaalsContact O-N 3.13Å
247H38.3Very low38.1Very low184 Ų184144 Ų14485%0.85280%0.798SS**  trans-74.3116.3163.5-102.7-83.9000109.8P245P245-H247 PolarHBondContact O-N 3.04Å
248T34.1Very low37.6Very low115 Ų115145.9 Ų145.971%0.70681%0.805SS**  trans170.3124.3149.9260000105
249D31.6Very low37.3Very low150 Ų150148.1 Ų148.180%0.80281%0.812SS**  -156144.252.9-80.4-51000112.5
250Q36.5Very low36.8Very low186 Ų186152.5 Ų152.587%0.86982%0.817SS**  trans-77.6128.6152.5-71.3178.9-26.800108.2
251H35.1Very low36.6Very low169 Ų169153.4 Ų153.478%0.78282%0.817SS**  trans-158.3119.6143.7-117.6-80.3000111.6
252E34.6Very low36.2Very low151 Ų151150.6 Ų150.671%0.70681%0.813SS**  trans19.8121.1150.6-78.9161.6102.600122.7
253Q36.5Very low36.3Very low174 Ų174153.7 Ų153.781%0.81382%0.819SS**  23.2126.8124.7-71.4176.6-40.500120
254L33.1Very low36.3Very low175 Ų175156 Ų15692%0.91682%0.821SS**  -164.7147.6117.4-99.1139.9000111.1
255P45.3Very low36.4Very low111 Ų111158.5 Ų158.572%0.72183%0.826SS**  trans-101.5149.5-171.237-26.8000112.4
256L37.3Very low36.2Very low160 Ų160161.7 Ų161.784%0.83883%0.83SS**  trans-146.2115.9158.8-85.8172000110.9
257H38.3Very low36.4Very low254 Ų254166.3 Ų166.3100%1.17684%0.835SS**  trans72.40164.8-67-70.5000120.3

Retrieved 257 of 257 residues in 573.7 ms (Link to these results)

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