A0A087XW84_POEFO Loading...

HAUS augmin-like complex subunit 7

AlphaFold DB , UniProt , Accession A0A087XW84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 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
1M63.2Low81.8Confident191 Ų19185 Ų8594%0.94148%0.477SS*.  0-50.40-145.8-173.2-66.100111.5E3 L4 L5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.37Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 2.97Å
2L72.2Confident82.6Confident106 Ų10678.2 Ų78.256%0.55544%0.438SS*.Hα-helixtrans-55.9-43.1172.5-78.3162.1000113.1L4 L5 C6 L75L2-L4 PolarHBondContact O-N 3.41Å; L2-L5 CarbonylContact O-C 3.1Å; L2-L5 PolarHBondContact O-N 3.3Å; L2-C6 WeakPolarHBondContact O-CA 3.21Å; L2-C6 WeakPolarHBondContact O-CB 3.33Å; L2-C6 PolarHBondContact O-N 3.33Å; L2-L75 HydrophobicContact CD2-CD1 3.87Å
3E76.8Confident83.1Confident159 Ų15973.8 Ų73.874%0.74342%0.415SS*.Hα-helixtrans-62.5-29.7177.8-67.1-178.6160.700113.6M1 C7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.37Å; E3-C7 VanDerWaalsContact O-CB 3.26Å; E3-C7 WeakPolarHBondContact O-CB 3.34Å; E3-C7 PolarHBondContact O-N 3.12Å
4L80.6Confident83.5Confident67 Ų6775.7 Ų75.735%0.35142%0.424SS..Hα-helixtrans-72.9-39.1178.1-176.868.4000111.7M1 L2 L11 I15M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3Å; M1-L4 VanDerWaalsContact O-N 3.14Å; L2-L4 PolarHBondContact O-N 3.41Å; L4-L11 HydrophobicContact CD1-CB 3.71Å; L4-L11 HydrophobicContact CD1-CD1 3.72Å; L4-L11 HydrophobicContact CD1-CG 4.33Å; L4-I15 HydrophobicContact CD1-CD1 4.41Å; L4-I15 HydrophobicContact CD2-CD1 4.14Å; L4-I15 HydrophobicContact CG-CD1 4.05Å
5L82.4Confident84.1Confident43 Ų4374.1 Ų74.123%0.22541%0.413CS..Hα-helixtrans-104.9-4-172.5-64.2178.6000113.9M1 L2 R12 I15 Q74 L78M1-L5 PolarHBondContact O-N 2.97Å; L2-L5 CarbonylContact O-C 3.1Å; L2-L5 PolarHBondContact O-N 3.3Å; L5-R12 VanDerWaalsContact C-NH1 3.26Å; L5-R12 PolarHBondContact O-NH1 3.32Å; L5-I15 HydrophobicContact CD2-CD1 4Å; L5-I15 HydrophobicContact CD2-CG2 4.36Å; L5-Q74 PolarHBondContact O-OE1 3.24Å; L5-L78 HydrophobicContact CB-CD1 3.98Å; L5-L78 HydrophobicContact CD2-CD1 4.19Å; L5-L78 HydrophobicContact CG-CD1 4.47Å
6C87.8Confident84.5Confident11 Ų1169.6 Ų69.67%0.07439%0.388CS..Hα-helixtrans-131.73.5-176.4-60.30000113.8L2 G67 P71 Q74L2-C6 WeakPolarHBondContact O-CA 3.21Å; L2-C6 WeakPolarHBondContact O-CB 3.33Å; L2-C6 PolarHBondContact O-N 3.33Å; C6-G67 VanDerWaalsContact O-O 3.04Å; C6-P71 HydrophobicContact CB-CB 4.31Å; C6-Q74 PolarHBondContact O-NE2 3.47Å
7C87.6Confident84.9Confident54 Ų5465.8 Ų65.837%0.36537%0.367SS..SBendtrans-120.6152175.3-57.50000111.5E3 S9 R12E3-C7 VanDerWaalsContact O-CB 3.26Å; E3-C7 WeakPolarHBondContact O-CB 3.34Å; E3-C7 PolarHBondContact O-N 3.12Å; C7-S9 PolarHBondContact O-N 3.2Å; C7-R12 WeakPolarHBondContact O-CD 3.47Å
8P89.7Confident85.2Confident81 Ų8169.3 Ų69.353%0.52637%0.374SS..  trans-62.7118.9174.3-17.731000110.9K66 G67 K68P8-K66 WeakPolarHBondContact CA-O 3.42Å; P8-K66 WeakPolarHBondContact CB-O 3.31Å; P8-K66 WeakPolarHBondContact CG-O 3.47Å; P8-G67 WeakPolarHBondContact CD-O 3.38Å; P8-K68 HydrophobicContact CG-CG 3.88Å
9S87.3Confident85.5Confident43 Ų4365.8 Ų65.830%0.30136%0.355SS..  trans-158.1156177.3660000110.8C7 L11 R12 T13C7-S9 PolarHBondContact O-N 3.2Å; S9-L11 PolarHBondContact O-N 3.05Å; S9-R12 WeakPolarHBondContact O-CB 3.48Å; S9-R12 PolarHBondContact O-N 2.87Å; S9-R12 WeakPolarHBondContact OG-CB 3.31Å; S9-R12 PolarHBondContact OG-N 2.84Å; S9-R12 VanDerWaalsContact OG-N 3.14Å; S9-T13 PolarHBondContact O-N 2.97Å; S9-T13 PolarHBondContact O-OG1 3.4Å
10A85.6Confident85.7Confident75 Ų7562.6 Ų62.662%0.6234%0.337SS*.Hα-helixtrans-58.6-40.2173.400000111.6R12 T13 D14A10-R12 VanDerWaalsContact C-N 3.31Å; A10-R12 PolarHBondContact O-N 3.29Å; A10-T13 PolarHBondContact O-N 3.35Å; A10-T13 VanDerWaalsContact O-N 3.11Å; A10-D14 PolarHBondContact O-N 3.23Å
11L87.1Confident85.8Confident105 Ų10565.8 Ų65.855%0.5534%0.344SS..Hα-helixtrans-59.4-39.5177.9-69.2170.4000112.5L4 S9 D14 I15L4-L11 HydrophobicContact CD1-CB 3.71Å; L4-L11 HydrophobicContact CD1-CD1 3.72Å; L4-L11 HydrophobicContact CD1-CG 4.33Å; S9-L11 PolarHBondContact O-N 3.05Å; L11-D14 PolarHBondContact O-N 2.87Å; L11-I15 WeakPolarHBondContact O-CD1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.96Å
12R90.8Very high87Confident3 Ų364.2 Ų64.21%0.01133%0.328CS..Hα-helixtrans-59.5-49.6174.2171.3-180-176.576.2-5.4111L5 C7 S9 A10 D14 I15 L16 L64 I65 G67 Q74L5-R12 VanDerWaalsContact C-NH1 3.26Å; L5-R12 PolarHBondContact O-NH1 3.32Å; C7-R12 WeakPolarHBondContact O-CD 3.47Å; S9-R12 WeakPolarHBondContact O-CB 3.48Å; S9-R12 PolarHBondContact O-N 2.87Å; S9-R12 WeakPolarHBondContact OG-CB 3.31Å; S9-R12 PolarHBondContact OG-N 2.84Å; S9-R12 VanDerWaalsContact OG-N 3.14Å; A10-R12 VanDerWaalsContact C-N 3.31Å; A10-R12 PolarHBondContact O-N 3.29Å; R12-D14 VanDerWaalsContact C-N 3.27Å; R12-D14 PolarHBondContact O-N 3.03Å; R12-I15 PolarHBondContact O-N 3.32Å; R12-L16 HydrophobicContact CG-CD1 4.16Å; R12-L16 WeakPolarHBondContact O-CG 3.36Å; R12-L16 PolarHBondContact O-N 3.37Å; R12-L64 PolarHBondContact NH2-O 2.9Å; R12-I65 PolarHBondContact NE-O 2.9Å; R12-G67 VanDerWaalsContact NE-CA 3.29Å; R12-Q74 VanDerWaalsContact CZ-OE1 3.23Å; R12-Q74 VanDerWaalsContact NH2-OE1 3.12Å
13T89.1Confident87.7Confident21 Ų2161.4 Ų61.413%0.12931%0.313CS..Hα-helixtrans-63.2-37.3-178.9-51.40000110.9S9 A10 L16 T17 L43 I47S9-T13 PolarHBondContact O-N 2.97Å; S9-T13 PolarHBondContact O-OG1 3.4Å; A10-T13 PolarHBondContact O-N 3.35Å; A10-T13 VanDerWaalsContact O-N 3.11Å; T13-L16 PolarHBondContact O-N 3.39Å; T13-T17 VanDerWaalsContact O-CB 3.26Å; T13-T17 WeakPolarHBondContact O-CB 3.47Å; T13-T17 PolarHBondContact O-N 3.17Å; T13-T17 PolarHBondContact O-OG1 2.87Å; T13-L43 HydrophobicContact CG2-CD2 3.82Å; T13-L43 HydrophobicContact CG2-CG 4.43Å; T13-I47 HydrophobicContact CG2-CD1 4.38Å
14D89.5Confident88Confident101 Ų10156.7 Ų56.754%0.5429%0.293SS..Hα-helixtrans-64.8-44.2174.4-70-26.8000112.3A10 L11 R12 T17 W18A10-D14 PolarHBondContact O-N 3.23Å; L11-D14 PolarHBondContact O-N 2.87Å; R12-D14 VanDerWaalsContact C-N 3.27Å; R12-D14 PolarHBondContact O-N 3.03Å; D14-T17 PolarHBondContact O-N 3.05Å; D14-W18 WeakPolarHBondContact O-CB 3.24Å; D14-W18 PolarHBondContact O-N 3.19Å
15I91.2Very high88.1Confident52 Ų5258.3 Ų58.327%0.26731%0.308SS..Hα-helixtrans-60.5-49.6176-70.5163.6000110.2L4 L5 L11 R12 T17 W18 I19L4-I15 HydrophobicContact CD1-CD1 4.41Å; L4-I15 HydrophobicContact CD2-CD1 4.14Å; L4-I15 HydrophobicContact CG-CD1 4.05Å; L5-I15 HydrophobicContact CD2-CD1 4Å; L5-I15 HydrophobicContact CD2-CG2 4.36Å; L11-I15 WeakPolarHBondContact O-CD1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.48Å; L11-I15 PolarHBondContact O-N 2.96Å; R12-I15 PolarHBondContact O-N 3.32Å; I15-T17 PolarHBondContact O-N 2.82Å; I15-W18 WeakPolarHBondContact O-CB 3.38Å; I15-W18 PolarHBondContact O-N 2.89Å; I15-I19 HydrophobicContact CG2-CD1 4.03Å; I15-I19 WeakPolarHBondContact O-CG1 3.34Å; I15-I19 PolarHBondContact O-N 3.2Å
16L91.6Very high87.9Confident1 Ų164 Ų641%0.00533%0.331CS..Hα-helixtrans-61.2-45.3178-72.2176000111.1R12 T13 W18 I19 C20 I47 I65 F77 L78 L81R12-L16 HydrophobicContact CG-CD1 4.16Å; R12-L16 WeakPolarHBondContact O-CG 3.36Å; R12-L16 PolarHBondContact O-N 3.37Å; T13-L16 PolarHBondContact O-N 3.39Å; L16-W18 VanDerWaalsContact C-N 3.29Å; L16-W18 PolarHBondContact O-N 2.66Å; L16-I19 PolarHBondContact O-N 3.43Å; L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 2.89Å; L16-I47 HydrophobicContact CB-CD1 4.19Å; L16-I47 HydrophobicContact CB-CG2 4.49Å; L16-I65 HydrophobicContact CD1-CG2 4.06Å; L16-F77 HydrophobicContact CD2-CE1 3.94Å; L16-L78 HydrophobicContact CD2-CD2 3.59Å; L16-L81 HydrophobicContact CD2-CD2 3.95Å
17T90.5Very high87.4Confident6 Ų664.6 Ų64.64%0.03733%0.332CS..Hα-helixtrans-58.4-42176-60.10000111.6T13 D14 I15 C20 R21 F27T13-T17 VanDerWaalsContact O-CB 3.26Å; T13-T17 WeakPolarHBondContact O-CB 3.47Å; T13-T17 PolarHBondContact O-N 3.17Å; T13-T17 PolarHBondContact O-OG1 2.87Å; D14-T17 PolarHBondContact O-N 3.05Å; I15-T17 PolarHBondContact O-N 2.82Å; T17-C20 PolarHBondContact O-N 3.12Å; T17-R21 WeakPolarHBondContact O-CG 3.32Å; T17-R21 PolarHBondContact O-N 2.88Å; T17-F27 HydrophobicContact CG2-CE1 4.25Å
18W91Very high86.3Confident129 Ų12963.9 Ų63.949%0.48933%0.334SS..Hα-helixtrans-62.8-46.1176.4178.391.2000111.8D14 I15 L16 C20 R21 R22D14-W18 WeakPolarHBondContact O-CB 3.24Å; D14-W18 PolarHBondContact O-N 3.19Å; I15-W18 WeakPolarHBondContact O-CB 3.38Å; I15-W18 PolarHBondContact O-N 2.89Å; L16-W18 VanDerWaalsContact C-N 3.29Å; L16-W18 PolarHBondContact O-N 2.66Å; W18-C20 VanDerWaalsContact C-N 3.34Å; W18-C20 PolarHBondContact O-N 2.88Å; W18-R21 PolarHBondContact O-N 3.22Å; W18-R22 HydrophobicContact CD2-CG 4.3Å; W18-R22 HydrophobicContact CE3-CG 4.4Å; W18-R22 HydrophobicContact CH2-CG 4.16Å; W18-R22 HydrophobicContact CZ2-CG 4.06Å; W18-R22 HydrophobicContact CZ3-CG 4.33Å; W18-R22 WeakPolarHBondContact O-CG 3.44Å; W18-R22 PolarHBondContact O-N 3.1Å; W18-R22 VanDerWaalsContact O-N 3.12Å
19I90.8Very high84.9Confident3 Ų364.7 Ų64.72%0.01534%0.337CS..Hα-helixtrans-60.7-45.5176.2-64.1169000110.2I15 L16 R21 R22 I23 L78 L81 L82 V85I15-I19 HydrophobicContact CG2-CD1 4.03Å; I15-I19 WeakPolarHBondContact O-CG1 3.34Å; I15-I19 PolarHBondContact O-N 3.2Å; L16-I19 PolarHBondContact O-N 3.43Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 2.98Å; I19-R22 WeakPolarHBondContact O-CA 3.48Å; I19-R22 WeakPolarHBondContact O-CB 3.24Å; I19-R22 PolarHBondContact O-N 3.07Å; I19-I23 HydrophobicContact CG2-CD1 3.89Å; I19-I23 HydrophobicContact CG2-CG1 4.47Å; I19-I23 WeakPolarHBondContact O-CG1 3.28Å; I19-I23 PolarHBondContact O-N 3.49Å; I19-L78 HydrophobicContact CD1-CD2 4.11Å; I19-L81 HydrophobicContact CB-CD2 3.95Å; I19-L81 HydrophobicContact CD1-CD2 4.12Å; I19-L81 HydrophobicContact CG2-CB 4.43Å; I19-L81 HydrophobicContact CG2-CD2 3.39Å; I19-L81 HydrophobicContact CG2-CG 3.54Å; I19-L82 HydrophobicContact CD1-CD2 3.76Å; I19-L82 HydrophobicContact CD1-CG 4.17Å; I19-L82 HydrophobicContact CG1-CD2 4.03Å; I19-V85 HydrophobicContact CG2-CG2 3.78Å
20C89.8Confident83.2Confident0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-59.8-40.6179-63.30000112.2L16 T17 W18 R22 I23 N24 F27 M50L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.97Å; L16-C20 PolarHBondContact O-SG 2.89Å; T17-C20 PolarHBondContact O-N 3.12Å; W18-C20 VanDerWaalsContact C-N 3.34Å; W18-C20 PolarHBondContact O-N 2.88Å; C20-R22 VanDerWaalsContact C-N 3.29Å; C20-R22 PolarHBondContact O-N 2.98Å; C20-I23 PolarHBondContact O-N 3.31Å; C20-N24 PolarHBondContact O-N 3.44Å; C20-F27 HydrophobicContact CB-CD1 3.53Å; C20-F27 HydrophobicContact CB-CD2 4.11Å; C20-F27 HydrophobicContact CB-CE1 3.48Å; C20-F27 VanDerWaalsContact CB-CE1 3.48Å; C20-F27 HydrophobicContact CB-CE2 4.07Å; C20-F27 HydrophobicContact CB-CG 3.86Å; C20-F27 HydrophobicContact CB-CZ 3.77Å; C20-M50 HydrophobicContact CB-CE 3.48Å; C20-M50 VanDerWaalsContact CB-CE 3.48Å; C20-M50 HydrophobicContact CB-SD 3.77Å; C20-M50 WeakPolarHBondContact SG-CE 3.45Å
21R87.8Confident81.3Confident130 Ų13072 Ų7249%0.49136%0.364SS..Hα-helixtrans-64.8-31.1173.8-74.2178.4-175.6149.33.5113.4T17 W18 I19 N24 P25 F27T17-R21 WeakPolarHBondContact O-CG 3.32Å; T17-R21 PolarHBondContact O-N 2.88Å; W18-R21 PolarHBondContact O-N 3.22Å; I19-R21 VanDerWaalsContact C-N 3.31Å; I19-R21 PolarHBondContact O-N 2.98Å; R21-N24 CarbonylContact O-C 3.59Å; R21-P25 WeakPolarHBondContact O-CA 3.24Å; R21-F27 HydrophobicContact CG-CB 4.39Å; R21-F27 HydrophobicContact CG-CD1 4.04Å; R21-F27 WeakPolarHBondContact CG-O 3.45Å
22R87.8Confident79.2Confident159 Ų15970.7 Ų70.760%0.637%0.368SS*.Hα-helixtrans-71.5-38.5176-71.2-63.2-168.3176.22.2111.9W18 I19 C20 V85W18-R22 HydrophobicContact CD2-CG 4.3Å; W18-R22 HydrophobicContact CE3-CG 4.4Å; W18-R22 HydrophobicContact CH2-CG 4.16Å; W18-R22 HydrophobicContact CZ2-CG 4.06Å; W18-R22 HydrophobicContact CZ3-CG 4.33Å; W18-R22 WeakPolarHBondContact O-CG 3.44Å; W18-R22 PolarHBondContact O-N 3.1Å; W18-R22 VanDerWaalsContact O-N 3.12Å; I19-R22 WeakPolarHBondContact O-CA 3.48Å; I19-R22 WeakPolarHBondContact O-CB 3.24Å; I19-R22 PolarHBondContact O-N 3.07Å; C20-R22 VanDerWaalsContact C-N 3.29Å; C20-R22 PolarHBondContact O-N 2.98Å; R22-V85 HydrophobicContact CB-CG1 4.13Å; R22-V85 HydrophobicContact CB-CG2 4.07Å
23I86.7Confident77Confident46 Ų4675.6 Ų75.624%0.23639%0.392CS..Hα-helixtrans-74.5-42.5178.1-60169.6000110.5I19 C20 L54 L81 L84 V85I19-I23 HydrophobicContact CG2-CD1 3.89Å; I19-I23 HydrophobicContact CG2-CG1 4.47Å; I19-I23 WeakPolarHBondContact O-CG1 3.28Å; I19-I23 PolarHBondContact O-N 3.49Å; C20-I23 PolarHBondContact O-N 3.31Å; I23-L54 HydrophobicContact CD1-CD1 4.28Å; I23-L54 HydrophobicContact CG2-CD1 4.03Å; I23-L54 HydrophobicContact CG2-CD2 4.38Å; I23-L81 HydrophobicContact CD1-CD1 3.98Å; I23-L81 HydrophobicContact CD1-CG 4Å; I23-L84 HydrophobicContact CD1-CB 4.09Å; I23-L84 HydrophobicContact CD1-CD1 4.35Å; I23-L84 HydrophobicContact CG1-CB 4.31Å; I23-V85 HydrophobicContact CD1-CG2 4.17Å; I23-V85 HydrophobicContact CG1-CG2 3.69Å
24N84.6Confident74.7Confident61 Ų6180.2 Ų80.233%0.32643%0.425SS..  trans-129.6103.6178.1-177.1-1.5000110.6C20 R21 K26 F27 M50C20-N24 PolarHBondContact O-N 3.44Å; R21-N24 CarbonylContact O-C 3.59Å; N24-K26 PolarHBondContact O-N 3.22Å; N24-K26 WeakPolarHBondContact OD1-CB 3.43Å; N24-K26 PolarHBondContact OD1-N 3.37Å; N24-K26 VanDerWaalsContact OD1-N 3.1Å; N24-F27 HydrophobicContact CB-CB 4.26Å; N24-F27 WeakPolarHBondContact O-CB 3.42Å; N24-F27 PolarHBondContact O-N 2.86Å; N24-M50 HydrophobicContact CB-SD 4.37Å
25P81.2Confident72.3Confident101 Ų10178.9 Ų78.966%0.65643%0.429SS*.THydrogen-bonded Turntrans-60.1-21.3-179.3-24.533.6000114.3R21 F27R21-P25 WeakPolarHBondContact O-CA 3.24Å; P25-F27 VanDerWaalsContact C-N 3.27Å
26K78.8Confident70.1Confident162 Ų16285 Ų8570%0.70446%0.456SS*.THydrogen-bonded Turntrans-82.8-4.6176.8-61.8177.5179.8175.60112.9N24 G28 T29N24-K26 PolarHBondContact O-N 3.22Å; N24-K26 WeakPolarHBondContact OD1-CB 3.43Å; N24-K26 PolarHBondContact OD1-N 3.37Å; N24-K26 VanDerWaalsContact OD1-N 3.1Å; K26-G28 PolarHBondContact O-N 2.72Å; K26-T29 WeakPolarHBondContact CA-OG1 3.37Å; K26-T29 PolarHBondContact O-N 2.87Å; K26-T29 VanDerWaalsContact O-N 3.15Å; K26-T29 PolarHBondContact O-OG1 3.01Å
27F77.8Confident67.9Low23 Ų2388.1 Ų88.110%0.10148%0.478CS..THydrogen-bonded Turntrans-64.4101.1178.9-170.9-95.5000110.1T17 C20 R21 N24 P25 K46 I47 M50T17-F27 HydrophobicContact CG2-CE1 4.25Å; C20-F27 HydrophobicContact CB-CD1 3.53Å; C20-F27 HydrophobicContact CB-CD2 4.11Å; C20-F27 HydrophobicContact CB-CE1 3.48Å; C20-F27 VanDerWaalsContact CB-CE1 3.48Å; C20-F27 HydrophobicContact CB-CE2 4.07Å; C20-F27 HydrophobicContact CB-CG 3.86Å; C20-F27 HydrophobicContact CB-CZ 3.77Å; R21-F27 HydrophobicContact CG-CB 4.39Å; R21-F27 HydrophobicContact CG-CD1 4.04Å; R21-F27 WeakPolarHBondContact CG-O 3.45Å; N24-F27 HydrophobicContact CB-CB 4.26Å; N24-F27 WeakPolarHBondContact O-CB 3.42Å; N24-F27 PolarHBondContact O-N 2.86Å; P25-F27 VanDerWaalsContact C-N 3.27Å; F27-K46 HydrophobicContact CE2-CB 4.47Å; F27-K46 HydrophobicContact CZ-CB 4.47Å; F27-I47 HydrophobicContact CE1-CG1 4.29Å; F27-I47 HydrophobicContact CZ-CG1 3.67Å; F27-M50 HydrophobicContact CD2-CB 4.45Å; F27-M50 HydrophobicContact CD2-CG 4.35Å; F27-M50 HydrophobicContact CD2-SD 3.48Å; F27-M50 WeakPolarHBondContact CD2-SD 3.34Å; F27-M50 HydrophobicContact CE2-CB 4.1Å; F27-M50 HydrophobicContact CE2-CG 4.45Å; F27-M50 HydrophobicContact CE2-SD 3.8Å; F27-M50 HydrophobicContact CG-SD 4.21Å
28G64.6Low66.2Low39 Ų3996.9 Ų96.940%0.40252%0.516SS..THydrogen-bonded Turntrans90.19.9-179.100000116K26 M33K26-G28 PolarHBondContact O-N 2.72Å; G28-M33 WeakPolarHBondContact O-CE 3.27Å
29T59.6Low64.9Low98 Ų9894.9 Ų94.960%0.60151%0.514SS*.THydrogen-bonded Turntrans-100-1.9175.864.50000114.1K26K26-T29 WeakPolarHBondContact CA-OG1 3.37Å; K26-T29 PolarHBondContact O-N 2.87Å; K26-T29 VanDerWaalsContact O-N 3.15Å; K26-T29 PolarHBondContact O-OG1 3.01Å
30S52.3Low63.6Low89 Ų8998.9 Ų98.962%0.62254%0.541SS*.SBendtrans-65.2135.9175-172.10000110.1A32 M33S30-A32 PolarHBondContact O-N 3.22Å; S30-M33 PolarHBondContact O-N 3.27Å; S30-M33 VanDerWaalsContact O-N 3.12Å
31E45.5Very low62.8Low184 Ų184101.1 Ų101.186%0.8655%0.553SS**G310 helixtrans-54.1-8.1-176-65.3-171.7146.700114.8M33 S34E31-M33 PolarHBondContact O-N 3.38Å; E31-S34 PolarHBondContact O-N 3.28Å
32A42.3Very low62.5Low77 Ų7797.6 Ų97.664%0.63654%0.543SS*.G310 helixtrans-67-5.8169.800000115.1S30S30-A32 PolarHBondContact O-N 3.22Å
33M44.8Very low62.5Low105 Ų10592.8 Ų92.852%0.51753%0.529SS..G310 helixtrans-97.63.2172.6-85.6-137.7-7500114.9G28 S30 E31 A35G28-M33 WeakPolarHBondContact O-CE 3.27Å; S30-M33 PolarHBondContact O-N 3.27Å; S30-M33 VanDerWaalsContact O-N 3.12Å; E31-M33 PolarHBondContact O-N 3.38Å; M33-A35 PolarHBondContact O-N 3.22Å
34S40.9Very low62.6Low118 Ų11891.7 Ų91.783%0.82552%0.523SS*.SBendtrans-75.8-3.1173.3-168.30000113.8E31E31-S34 PolarHBondContact O-N 3.28Å
35A38.9Very low62.8Low74 Ų7493.5 Ų93.561%0.61253%0.528SS*.SBendtrans-134.6100.6172.900000109.4M33 S37M33-A35 PolarHBondContact O-N 3.22Å; A35-S37 PolarHBondContact O-N 3.38Å
36E44.7Very low63.2Low181 Ų18193 Ų9385%0.84652%0.516SS*.  trans11.780.6150.5-63.6170.6137.200116.7
37S45.7Very low63.8Low66 Ų6685.3 Ų85.346%0.46248%0.482SS..  trans-111.881.3148.768.60000107.8A35 D39A35-S37 PolarHBondContact O-N 3.38Å; S37-D39 PolarHBondContact O-N 3.49Å
38K54.5Low64.4Low190 Ų19084.2 Ų84.283%0.82648%0.477SS*.  trans-70.639.8169.4-77.1177.3173.2165.70111.4P40K38-P40 VanDerWaalsContact O-CD 3.24Å; K38-P40 WeakPolarHBondContact O-CD 3.3Å
39D63.9Low65.7Low87 Ų8784.3 Ų84.347%0.46547%0.474SS..  trans-92.6105.6174.3-166.4-6.5000108.5S37 D41 D42S37-D39 PolarHBondContact O-N 3.49Å; D39-D41 PolarHBondContact O-N 2.96Å; D39-D41 VanDerWaalsContact O-N 3.16Å; D39-D41 VanDerWaalsContact OD1-CB 3.31Å; D39-D41 WeakPolarHBondContact OD1-CB 3.32Å; D39-D41 PolarHBondContact OD1-N 3.24Å; D39-D41 VanDerWaalsContact OD1-N 3.1Å; D39-D42 HydrophobicContact CB-CB 4.15Å; D39-D42 PolarHBondContact O-N 3.41Å; D39-D42 VanDerWaalsContact O-N 3.1Å
40P64Low67.1Low87 Ų8780.2 Ų80.257%0.56545%0.448SS*.Hα-helixtrans-58-26.7177.124.7-33.6000111.8K38 D42 L43 E44K38-P40 VanDerWaalsContact O-CD 3.24Å; K38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-D42 VanDerWaalsContact C-N 3.33Å; P40-D42 PolarHBondContact O-N 2.9Å; P40-L43 PolarHBondContact O-N 3.5Å; P40-E44 WeakPolarHBondContact O-CG 3.24Å; P40-E44 PolarHBondContact O-N 3.46Å
41D72.5Confident68.9Low47 Ų4776 Ų7625%0.25142%0.419SS..Hα-helixtrans-72.1-27.1-179.6-155.461.5000112D39 K45 K66D39-D41 PolarHBondContact O-N 2.96Å; D39-D41 VanDerWaalsContact O-N 3.16Å; D39-D41 VanDerWaalsContact OD1-CB 3.31Å; D39-D41 WeakPolarHBondContact OD1-CB 3.32Å; D39-D41 PolarHBondContact OD1-N 3.24Å; D39-D41 VanDerWaalsContact OD1-N 3.1Å; D41-K45 WeakPolarHBondContact O-CD 3.33Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 3.46Å; D41-K45 PolarHBondContact O-N 3.04Å; D41-K45 WeakPolarHBondContact OD2-CE 3.28Å; D41-K45 IonicContact OD2-NZ 3.66Å; D41-K45 PolarHBondContact OD2-NZ 3.14Å; D41-K66 IonicContact OD1-NZ 3.13Å; D41-K66 PolarHBondContact OD1-NZ 3.39Å
42D82.6Confident71.1Confident56 Ų5671.5 Ų71.530%0.29940%0.398SS..Hα-helixtrans-74.5-37.6175.5-171.959.6000112D39 P40 K45 K46D39-D42 HydrophobicContact CB-CB 4.15Å; D39-D42 PolarHBondContact O-N 3.41Å; D39-D42 VanDerWaalsContact O-N 3.1Å; P40-D42 VanDerWaalsContact C-N 3.33Å; P40-D42 PolarHBondContact O-N 2.9Å; D42-K45 PolarHBondContact O-N 3.36Å; D42-K46 WeakPolarHBondContact O-CG 3.41Å; D42-K46 PolarHBondContact O-N 2.92Å; D42-K46 VanDerWaalsContact OD2-CE 3.32Å; D42-K46 WeakPolarHBondContact OD2-CE 3.44Å; D42-K46 IonicContact OD2-NZ 2.95Å; D42-K46 PolarHBondContact OD2-NZ 3.34Å
43L86.2Confident73.4Confident58 Ų5875.2 Ų75.230%0.30440%0.402SS..Hα-helixtrans-66.5-43.3175.6-178.961.4000111.4T13 P40 K45 K46 I47T13-L43 HydrophobicContact CG2-CD2 3.82Å; T13-L43 HydrophobicContact CG2-CG 4.43Å; P40-L43 PolarHBondContact O-N 3.5Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.46Å; L43-K46 WeakPolarHBondContact O-CB 3.48Å; L43-K46 PolarHBondContact O-N 2.83Å; L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.39Å; L43-I47 PolarHBondContact O-N 3.2Å
44E88.9Confident75.5Confident23 Ų2373 Ų7311%0.10739%0.392CS..Hα-helixtrans-64.6-37.6178.3-69.2166.4156.800111.9P40 I47 A48 L62 I65 K66P40-E44 WeakPolarHBondContact O-CG 3.24Å; P40-E44 PolarHBondContact O-N 3.46Å; E44-I47 PolarHBondContact O-N 2.86Å; E44-A48 WeakPolarHBondContact O-CB 3.48Å; E44-A48 PolarHBondContact O-N 2.75Å; E44-L62 HydrophobicContact CB-CD2 4.34Å; E44-I65 HydrophobicContact CB-CG2 4.1Å; E44-I65 HydrophobicContact CG-CG2 4.13Å; E44-K66 VanDerWaalsContact CD-CE 3.49Å; E44-K66 WeakPolarHBondContact OE1-CG 3.44Å; E44-K66 WeakPolarHBondContact OE2-CE 3.43Å; E44-K66 IonicContact OE2-NZ 2.71Å
45K89.7Confident77.9Confident99 Ų9975.7 Ų75.743%0.4339%0.394SS..Hα-helixtrans-62.6-40.8171.6-76.1165.2178.9149.30112.4D41 D42 L43 A48 A49 L62D41-K45 WeakPolarHBondContact O-CD 3.33Å; D41-K45 VanDerWaalsContact O-CG 3.23Å; D41-K45 WeakPolarHBondContact O-CG 3.46Å; D41-K45 PolarHBondContact O-N 3.04Å; D41-K45 WeakPolarHBondContact OD2-CE 3.28Å; D41-K45 IonicContact OD2-NZ 3.66Å; D41-K45 PolarHBondContact OD2-NZ 3.14Å; D42-K45 PolarHBondContact O-N 3.36Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 3.46Å; K45-A48 PolarHBondContact O-N 2.93Å; K45-A49 WeakPolarHBondContact O-CB 3.45Å; K45-A49 PolarHBondContact O-N 3.48Å; K45-L62 HydrophobicContact CG-CD1 4.33Å; K45-L62 HydrophobicContact CG-CD2 4Å
46K88.9Confident80.3Confident91 Ų9173.8 Ų73.840%0.39637%0.373SS..Hα-helixtrans-65-42.4175.6-76.5166.6175.2158.20112.2F27 D42 L43 A48 A49 M50F27-K46 HydrophobicContact CE2-CB 4.47Å; F27-K46 HydrophobicContact CZ-CB 4.47Å; D42-K46 WeakPolarHBondContact O-CG 3.41Å; D42-K46 PolarHBondContact O-N 2.92Å; D42-K46 VanDerWaalsContact OD2-CE 3.32Å; D42-K46 WeakPolarHBondContact OD2-CE 3.44Å; D42-K46 IonicContact OD2-NZ 2.95Å; D42-K46 PolarHBondContact OD2-NZ 3.34Å; L43-K46 WeakPolarHBondContact O-CB 3.48Å; L43-K46 PolarHBondContact O-N 2.83Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A49 PolarHBondContact O-N 2.86Å; K46-M50 WeakPolarHBondContact O-CB 3.45Å; K46-M50 PolarHBondContact O-N 3.47Å
47I91.2Very high82.5Confident0 Ų065.9 Ų65.90%034%0.337CS..Hα-helixtrans-62.5-43.9174.6-65.4169.2000110T13 L16 F27 L43 E44 S51 I65T13-I47 HydrophobicContact CG2-CD1 4.38Å; L16-I47 HydrophobicContact CB-CD1 4.19Å; L16-I47 HydrophobicContact CB-CG2 4.49Å; F27-I47 HydrophobicContact CE1-CG1 4.29Å; F27-I47 HydrophobicContact CZ-CG1 3.67Å; L43-I47 HydrophobicContact CG-CD1 4.18Å; L43-I47 WeakPolarHBondContact O-CG1 3.39Å; L43-I47 PolarHBondContact O-N 3.2Å; E44-I47 PolarHBondContact O-N 2.86Å; I47-S51 VanDerWaalsContact O-CB 3.23Å; I47-S51 WeakPolarHBondContact O-CB 3.47Å; I47-S51 PolarHBondContact O-N 2.91Å; I47-S51 PolarHBondContact O-OG 2.93Å; I47-I65 HydrophobicContact CB-CG2 4.06Å; I47-I65 HydrophobicContact CD1-CG2 4.35Å; I47-I65 HydrophobicContact CG2-CD1 3.82Å; I47-I65 HydrophobicContact CG2-CG1 4.27Å; I47-I65 HydrophobicContact CG2-CG2 3.85Å
48A91.5Very high84.6Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-63.8-44.1177.600000112.3E44 K45 K46 S51 Q52 L62 I65E44-A48 WeakPolarHBondContact O-CB 3.48Å; E44-A48 PolarHBondContact O-N 2.75Å; K45-A48 PolarHBondContact O-N 2.93Å; K46-A48 VanDerWaalsContact C-N 3.34Å; A48-S51 PolarHBondContact O-N 3.34Å; A48-Q52 WeakPolarHBondContact O-CB 3.49Å; A48-Q52 PolarHBondContact O-N 3.4Å; A48-L62 HydrophobicContact CB-CD2 4.01Å; A48-I65 HydrophobicContact CB-CG1 4Å
49A90.7Very high85.8Confident40 Ų4062.5 Ų62.533%0.33132%0.324SS..Hα-helixtrans-61.7-47.8177.300000111.8K45 K46 S51 Q52 E53K45-A49 WeakPolarHBondContact O-CB 3.45Å; K45-A49 PolarHBondContact O-N 3.48Å; K46-A49 PolarHBondContact O-N 2.86Å; A49-S51 VanDerWaalsContact C-N 3.33Å; A49-S51 PolarHBondContact O-N 2.95Å; A49-Q52 WeakPolarHBondContact O-CB 3.39Å; A49-Q52 PolarHBondContact O-N 3.17Å; A49-E53 WeakPolarHBondContact O-CG 3.43Å; A49-E53 PolarHBondContact O-N 3.45Å
50M90.1Very high86.8Confident12 Ų1264.1 Ų64.16%0.05933%0.333CS..Hα-helixtrans-63.2-41.2176.1-170-158.57200111.4C20 N24 F27 K46 Q52 E53 L54C20-M50 HydrophobicContact CB-CE 3.48Å; C20-M50 VanDerWaalsContact CB-CE 3.48Å; C20-M50 HydrophobicContact CB-SD 3.77Å; C20-M50 WeakPolarHBondContact SG-CE 3.45Å; N24-M50 HydrophobicContact CB-SD 4.37Å; F27-M50 HydrophobicContact CD2-CB 4.45Å; F27-M50 HydrophobicContact CD2-CG 4.35Å; F27-M50 HydrophobicContact CD2-SD 3.48Å; F27-M50 WeakPolarHBondContact CD2-SD 3.34Å; F27-M50 HydrophobicContact CE2-CB 4.1Å; F27-M50 HydrophobicContact CE2-CG 4.45Å; F27-M50 HydrophobicContact CE2-SD 3.8Å; F27-M50 HydrophobicContact CG-SD 4.21Å; K46-M50 WeakPolarHBondContact O-CB 3.45Å; K46-M50 PolarHBondContact O-N 3.47Å; M50-Q52 VanDerWaalsContact C-N 3.26Å; M50-Q52 PolarHBondContact O-N 3.21Å; M50-E53 WeakPolarHBondContact O-CB 3.48Å; M50-E53 PolarHBondContact O-N 2.94Å; M50-L54 HydrophobicContact CE-CD1 3.99Å; M50-L54 VanDerWaalsContact O-CG 3.31Å; M50-L54 WeakPolarHBondContact O-CG 3.48Å; M50-L54 PolarHBondContact O-N 3.38Å
51S90.2Very high88Confident0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-66.1-30.3177.5-59.70000112.4I47 A48 A49 L54 M55 L56 C57I47-S51 VanDerWaalsContact O-CB 3.23Å; I47-S51 WeakPolarHBondContact O-CB 3.47Å; I47-S51 PolarHBondContact O-N 2.91Å; I47-S51 PolarHBondContact O-OG 2.93Å; A48-S51 PolarHBondContact O-N 3.34Å; A49-S51 VanDerWaalsContact C-N 3.33Å; A49-S51 PolarHBondContact O-N 2.95Å; S51-L54 CarbonylContact O-C 3.56Å; S51-L54 PolarHBondContact O-N 3.19Å; S51-M55 PolarHBondContact O-N 3.01Å; S51-L56 WeakPolarHBondContact O-CB 2.97Å; S51-L56 PolarHBondContact O-N 3.36Å; S51-C57 WeakPolarHBondContact CB-SG 3.37Å
52Q91.8Very high88.9Confident91 Ų9160.5 Ų60.543%0.42531%0.308SS..Hα-helixtrans-71.8-41.2172-178-164.10.400112.2A48 A49 M50 L54 M55 C57 A59A48-Q52 WeakPolarHBondContact O-CB 3.49Å; A48-Q52 PolarHBondContact O-N 3.4Å; A49-Q52 WeakPolarHBondContact O-CB 3.39Å; A49-Q52 PolarHBondContact O-N 3.17Å; M50-Q52 VanDerWaalsContact C-N 3.26Å; M50-Q52 PolarHBondContact O-N 3.21Å; Q52-L54 PolarHBondContact O-N 2.87Å; Q52-M55 WeakPolarHBondContact O-CA 3.36Å; Q52-M55 PolarHBondContact O-N 2.89Å; Q52-C57 VanDerWaalsContact CA-O 3.26Å; Q52-C57 WeakPolarHBondContact CA-O 3.33Å; Q52-C57 WeakPolarHBondContact CB-O 3.26Å; Q52-A59 VanDerWaalsContact OE1-CA 3.31Å
53E89.9Confident89.3Confident154 Ų15462.2 Ų62.272%0.7232%0.318SS*.Hα-helixtrans-57.8-34.5172.3-71.6174.5-178.200111.1A49 M50 M55A49-E53 WeakPolarHBondContact O-CG 3.43Å; A49-E53 PolarHBondContact O-N 3.45Å; M50-E53 WeakPolarHBondContact O-CB 3.48Å; M50-E53 PolarHBondContact O-N 2.94Å; E53-M55 PolarHBondContact O-N 3.39Å
54L89Confident89.6Confident58 Ų5859.6 Ų59.630%0.30430%0.304SS..THydrogen-bonded Turntrans-813.3173.6-61.9171.9000114I23 M50 S51 Q52 L56 L84I23-L54 HydrophobicContact CD1-CD1 4.28Å; I23-L54 HydrophobicContact CG2-CD1 4.03Å; I23-L54 HydrophobicContact CG2-CD2 4.38Å; M50-L54 HydrophobicContact CE-CD1 3.99Å; M50-L54 VanDerWaalsContact O-CG 3.31Å; M50-L54 WeakPolarHBondContact O-CG 3.48Å; M50-L54 PolarHBondContact O-N 3.38Å; S51-L54 CarbonylContact O-C 3.56Å; S51-L54 PolarHBondContact O-N 3.19Å; Q52-L54 PolarHBondContact O-N 2.87Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 3.98Å; L54-L56 HydrophobicContact CD1-CD1 4.45Å; L54-L56 PolarHBondContact O-N 3.42Å; L54-L84 HydrophobicContact CB-CD1 4.4Å; L54-L84 HydrophobicContact CD1-CD1 4.04Å; L54-L84 HydrophobicContact CD2-CD1 4.32Å; L54-L84 HydrophobicContact CG-CD1 4.49Å
55M90.3Very high89.8Confident176 Ų17658.5 Ų58.587%0.86730%0.299SS*.THydrogen-bonded Turntrans57.527.3-177.9-55.7-169.1177.900115.2S51 Q52 E53S51-M55 PolarHBondContact O-N 3.01Å; Q52-M55 WeakPolarHBondContact O-CA 3.36Å; Q52-M55 PolarHBondContact O-N 2.89Å; E53-M55 PolarHBondContact O-N 3.39Å
56L89.9Confident89.9Confident34 Ų3455.7 Ų55.718%0.17829%0.287CS..SBendtrans-92.9-26.8-178.8-60-179.9000113.5S51 L54 F77 Q80 L81 L84S51-L56 WeakPolarHBondContact O-CB 2.97Å; S51-L56 PolarHBondContact O-N 3.36Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 3.98Å; L54-L56 HydrophobicContact CD1-CD1 4.45Å; L54-L56 PolarHBondContact O-N 3.42Å; L56-F77 HydrophobicContact CB-CD2 4.02Å; L56-F77 HydrophobicContact CB-CE2 3.82Å; L56-F77 HydrophobicContact CD1-CE2 4.42Å; L56-Q80 HydrophobicContact CD2-CB 3.73Å; L56-L81 HydrophobicContact CD1-CB 4.17Å; L56-L81 HydrophobicContact CD1-CD1 3.35Å; L56-L81 HydrophobicContact CD1-CG 4.34Å; L56-L84 HydrophobicContact CD1-CD1 3.94Å
57C91.9Very high90Very high14 Ų1451.5 Ų51.510%0.09527%0.269CS..SBendtrans-152.8177.8175.771.90000111.4S51 Q52 D61 L64 F77S51-C57 WeakPolarHBondContact CB-SG 3.37Å; Q52-C57 VanDerWaalsContact CA-O 3.26Å; Q52-C57 WeakPolarHBondContact CA-O 3.33Å; Q52-C57 WeakPolarHBondContact CB-O 3.26Å; C57-D61 HydrophobicContact CB-CB 4.04Å; C57-L64 HydrophobicContact CB-CD2 3.66Å; C57-F77 HydrophobicContact CB-CE2 4.38Å
58K88.6Confident90Very high133 Ų13357.7 Ų57.758%0.57830%0.296SS*.  trans-88163.1173-56.4179-180179.50111.7D60 D61K58-D60 WeakPolarHBondContact CB-OD1 3.27Å; K58-D60 PolarHBondContact O-N 3.37Å; K58-D61 HydrophobicContact CB-CB 4.45Å; K58-D61 WeakPolarHBondContact CB-OD2 3.47Å; K58-D61 PolarHBondContact N-OD2 3.47Å; K58-D61 PolarHBondContact O-N 3.04Å
59A79.9Confident90Very high52 Ų5258.6 Ų58.643%0.4330%0.303SS..THydrogen-bonded Turntrans-56.7-33.517700000113.1Q52Q52-A59 VanDerWaalsContact OE1-CA 3.31Å
60D86Confident90.1Very high121 Ų12159.8 Ų59.865%0.64731%0.31SS*.THydrogen-bonded Turntrans-96.6-0.5-174.159.2-38.9000113.4K58 L62K58-D60 WeakPolarHBondContact CB-OD1 3.27Å; K58-D60 PolarHBondContact O-N 3.37Å; D60-L62 PolarHBondContact O-N 3.21Å
61D88.6Confident90.1Very high23 Ų2362.7 Ų62.712%0.12333%0.329CS..  trans-75.245.8178.2-82.6-40.5000112.4C57 K58 D63 L64 I65 R73C57-D61 HydrophobicContact CB-CB 4.04Å; K58-D61 HydrophobicContact CB-CB 4.45Å; K58-D61 WeakPolarHBondContact CB-OD2 3.47Å; K58-D61 PolarHBondContact N-OD2 3.47Å; K58-D61 PolarHBondContact O-N 3.04Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-L64 HydrophobicContact CB-CB 4.17Å; D61-L64 VanDerWaalsContact O-CB 3.26Å; D61-L64 WeakPolarHBondContact O-CB 3.44Å; D61-L64 PolarHBondContact O-N 3.49Å; D61-I65 PolarHBondContact O-N 2.99Å; D61-R73 IonicContact OD1-CZ 3.08Å; D61-R73 IonicContact OD1-NH1 2.95Å; D61-R73 IonicContact OD1-NH2 2.68Å; D61-R73 PolarHBondContact OD1-NH2 3Å; D61-R73 IonicContact OD2-NH2 2.72Å; D61-R73 PolarHBondContact OD2-NH2 3.14Å
62L90.9Very high90.1Very high35 Ų3570.6 Ų70.618%0.18337%0.366CS..Hα-helixtrans-63-29.1178.5-66.9176.8000112.4E44 K45 A48 D60 L64 I65 K66E44-L62 HydrophobicContact CB-CD2 4.34Å; K45-L62 HydrophobicContact CG-CD1 4.33Å; K45-L62 HydrophobicContact CG-CD2 4Å; A48-L62 HydrophobicContact CB-CD2 4.01Å; D60-L62 PolarHBondContact O-N 3.21Å; L62-L64 PolarHBondContact O-N 3.43Å; L62-I65 PolarHBondContact O-N 3.27Å; L62-K66 HydrophobicContact CB-CD 4.46Å; L62-K66 VanDerWaalsContact O-CB 3.26Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.47Å; L62-K66 PolarHBondContact O-N 2.98Å
63D91.7Very high90.1Very high93 Ų9372.1 Ų72.150%0.49737%0.368SS..Hα-helixtrans-64.9-27.8174.8-75-24.6000112.4D61 G67 K68 A69D61-D63 PolarHBondContact O-N 2.96Å; D63-G67 PolarHBondContact O-N 3.28Å; D63-K68 HydrophobicContact CB-CB 4.12Å; D63-K68 PolarHBondContact O-N 2.91Å; D63-A69 PolarHBondContact O-N 3.35Å; D63-A69 VanDerWaalsContact O-N 3.09Å
64L92.7Very high90.3Very high3 Ų364.9 Ų64.92%0.01633%0.334CS..Hα-helixtrans-70.9-43.2173.7-170.662.6000110.5R12 C57 D61 L62 G67 A69 R73 Q74 F77R12-L64 PolarHBondContact NH2-O 2.9Å; C57-L64 HydrophobicContact CB-CD2 3.66Å; D61-L64 HydrophobicContact CB-CB 4.17Å; D61-L64 VanDerWaalsContact O-CB 3.26Å; D61-L64 WeakPolarHBondContact O-CB 3.44Å; D61-L64 PolarHBondContact O-N 3.49Å; L62-L64 PolarHBondContact O-N 3.43Å; L64-G67 PolarHBondContact O-N 3.36Å; L64-A69 HydrophobicContact CB-CB 4.49Å; L64-A69 HydrophobicContact CD1-CB 3.9Å; L64-R73 HydrophobicContact CD1-CB 4.46Å; L64-R73 HydrophobicContact CD1-CG 3.87Å; L64-Q74 HydrophobicContact CD1-CG 4.14Å; L64-F77 HydrophobicContact CD1-CB 4.2Å; L64-F77 HydrophobicContact CD2-CB 4.05Å; L64-F77 HydrophobicContact CD2-CD1 4.46Å; L64-F77 HydrophobicContact CD2-CD2 3.79Å; L64-F77 HydrophobicContact CD2-CE2 4.39Å; L64-F77 HydrophobicContact CD2-CG 3.83Å; L64-F77 HydrophobicContact CG-CB 4.31Å; L64-F77 HydrophobicContact CG-CD1 4.32Å; L64-F77 HydrophobicContact CG-CD2 4.5Å; L64-F77 HydrophobicContact CG-CG 4.12Å
65I93.3Very high90.4Very high0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-69.3-45.9178.3-54.5-47.3000111.3R12 L16 E44 I47 A48 D61 L62 G67 F77R12-I65 PolarHBondContact NE-O 2.9Å; L16-I65 HydrophobicContact CD1-CG2 4.06Å; E44-I65 HydrophobicContact CB-CG2 4.1Å; E44-I65 HydrophobicContact CG-CG2 4.13Å; I47-I65 HydrophobicContact CB-CG2 4.06Å; I47-I65 HydrophobicContact CD1-CG2 4.35Å; I47-I65 HydrophobicContact CG2-CD1 3.82Å; I47-I65 HydrophobicContact CG2-CG1 4.27Å; I47-I65 HydrophobicContact CG2-CG2 3.85Å; A48-I65 HydrophobicContact CB-CG1 4Å; D61-I65 PolarHBondContact O-N 2.99Å; L62-I65 PolarHBondContact O-N 3.27Å; I65-G67 PolarHBondContact O-N 3.47Å; I65-F77 HydrophobicContact CD1-CE1 4.1Å; I65-F77 HydrophobicContact CD1-CZ 3.84Å
66K91.3Very high90.4Very high40 Ų4058.2 Ų58.217%0.17431%0.308CS..THydrogen-bonded Turntrans-66.8-14178.4-74171.1175.2175.20113.9P8 D41 E44 L62 K68P8-K66 WeakPolarHBondContact CA-O 3.42Å; P8-K66 WeakPolarHBondContact CB-O 3.31Å; P8-K66 WeakPolarHBondContact CG-O 3.47Å; D41-K66 IonicContact OD1-NZ 3.13Å; D41-K66 PolarHBondContact OD1-NZ 3.39Å; E44-K66 VanDerWaalsContact CD-CE 3.49Å; E44-K66 WeakPolarHBondContact OE1-CG 3.44Å; E44-K66 WeakPolarHBondContact OE2-CE 3.43Å; E44-K66 IonicContact OE2-NZ 2.71Å; L62-K66 HydrophobicContact CB-CD 4.46Å; L62-K66 VanDerWaalsContact O-CB 3.26Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 VanDerWaalsContact O-CG 3.29Å; L62-K66 WeakPolarHBondContact O-CG 3.47Å; L62-K66 PolarHBondContact O-N 2.98Å; K66-K68 HydrophobicContact CB-CD 4.37Å; K66-K68 HydrophobicContact CB-CG 4.23Å
67G91.4Very high90.6Very high3 Ų356.9 Ų56.93%0.03130%0.301CS..THydrogen-bonded Turntrans76.832.8-179.200000114.4C6 P8 R12 D63 L64 I65 Q74C6-G67 VanDerWaalsContact O-O 3.04Å; P8-G67 WeakPolarHBondContact CD-O 3.38Å; R12-G67 VanDerWaalsContact NE-CA 3.29Å; D63-G67 PolarHBondContact O-N 3.28Å; L64-G67 PolarHBondContact O-N 3.36Å; I65-G67 PolarHBondContact O-N 3.47Å; G67-Q74 VanDerWaalsContact C-NE2 3.33Å; G67-Q74 PolarHBondContact O-NE2 2.95Å
68K91.3Very high90.6Very high130 Ų13056.7 Ų56.757%0.56530%0.299SS*.  trans-101.6-13.7176.2-62.7-179.8-178.9178.30113.3P8 D63 K66P8-K68 HydrophobicContact CG-CG 3.88Å; D63-K68 HydrophobicContact CB-CB 4.12Å; D63-K68 PolarHBondContact O-N 2.91Å; K66-K68 HydrophobicContact CB-CD 4.37Å; K66-K68 HydrophobicContact CB-CG 4.23Å
69A91.6Very high90.7Very high18 Ų1857.1 Ų57.115%0.14930%0.303CS..SBendtrans-67.8173174.900000112.4D63 L64 Q74D63-A69 PolarHBondContact O-N 3.35Å; D63-A69 VanDerWaalsContact O-N 3.09Å; L64-A69 HydrophobicContact CB-CB 4.49Å; L64-A69 HydrophobicContact CD1-CB 3.9Å; A69-Q74 HydrophobicContact CB-CG 3.98Å; A69-Q74 PolarHBondContact O-NE2 3.39Å
70S92.6Very high91.1Very high66 Ų6659.4 Ų59.446%0.46231%0.305SS..  trans-62.6141.7176.362.20000111.5Q72 R73 Q74S70-Q72 PolarHBondContact O-N 2.96Å; S70-Q72 VanDerWaalsContact O-N 3.16Å; S70-R73 PolarHBondContact O-N 2.94Å; S70-R73 WeakPolarHBondContact OG-CB 3.49Å; S70-Q74 WeakPolarHBondContact O-CG 3.32Å; S70-Q74 PolarHBondContact O-N 3.46Å
71P90.2Very high91.3Very high72 Ų7253.7 Ų53.747%0.46827%0.274SS..Hα-helixtrans-53.2-39.2-178-29.335.4000113.8C6 R73 Q74 L75C6-P71 HydrophobicContact CB-CB 4.31Å; P71-R73 PolarHBondContact O-N 3.43Å; P71-Q74 PolarHBondContact O-N 3.26Å; P71-L75 WeakPolarHBondContact O-CB 3.49Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.36Å; P71-L75 PolarHBondContact O-N 2.95Å
72Q89.7Confident91.3Very high167 Ų16756 Ų5678%0.7829%0.286SS*.Hα-helixtrans-60.4-44.7176.8-67.2173.6-9.800112.3S70 L75 G76S70-Q72 PolarHBondContact O-N 2.96Å; S70-Q72 VanDerWaalsContact O-N 3.16Å; Q72-L75 PolarHBondContact O-N 2.7Å; Q72-G76 PolarHBondContact O-N 3.38Å
73R91.9Very high91Very high123 Ų12357.9 Ų57.946%0.46430%0.302SS..Hα-helixtrans-67.1-39.3178-169.9-179.9177.9-163.4-5.3111.2D61 L64 S70 P71 F77D61-R73 IonicContact OD1-CZ 3.08Å; D61-R73 IonicContact OD1-NH1 2.95Å; D61-R73 IonicContact OD1-NH2 2.68Å; D61-R73 PolarHBondContact OD1-NH2 3Å; D61-R73 IonicContact OD2-NH2 2.72Å; D61-R73 PolarHBondContact OD2-NH2 3.14Å; L64-R73 HydrophobicContact CD1-CB 4.46Å; L64-R73 HydrophobicContact CD1-CG 3.87Å; S70-R73 PolarHBondContact O-N 2.94Å; S70-R73 WeakPolarHBondContact OG-CB 3.49Å; P71-R73 PolarHBondContact O-N 3.43Å; R73-F77 WeakPolarHBondContact O-CB 3.49Å; R73-F77 PolarHBondContact O-N 3.03Å
74Q93Very high90.6Very high2 Ų257.5 Ų57.51%0.00930%0.299CS..Hα-helixtrans-65.6-41.7177.7-65-169.754.700112.6L5 C6 R12 L64 G67 A69 S70 P71 L78L5-Q74 PolarHBondContact O-OE1 3.24Å; C6-Q74 PolarHBondContact O-NE2 3.47Å; R12-Q74 VanDerWaalsContact CZ-OE1 3.23Å; R12-Q74 VanDerWaalsContact NH2-OE1 3.12Å; L64-Q74 HydrophobicContact CD1-CG 4.14Å; G67-Q74 VanDerWaalsContact C-NE2 3.33Å; G67-Q74 PolarHBondContact O-NE2 2.95Å; A69-Q74 HydrophobicContact CB-CG 3.98Å; A69-Q74 PolarHBondContact O-NE2 3.39Å; S70-Q74 WeakPolarHBondContact O-CG 3.32Å; S70-Q74 PolarHBondContact O-N 3.46Å; P71-Q74 PolarHBondContact O-N 3.26Å; Q74-L78 WeakPolarHBondContact O-CG 3.33Å; Q74-L78 PolarHBondContact O-N 2.96Å
75L91.1Very high89.8Confident68 Ų6859.8 Ų59.836%0.35631%0.313SS..Hα-helixtrans-69.5-44.9178.6-70171.9000111.8L2 P71 Q72 F77 L78 E79L2-L75 HydrophobicContact CD2-CD1 3.87Å; P71-L75 WeakPolarHBondContact O-CB 3.49Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.36Å; P71-L75 PolarHBondContact O-N 2.95Å; Q72-L75 PolarHBondContact O-N 2.7Å; L75-F77 VanDerWaalsContact C-N 3.29Å; L75-F77 PolarHBondContact O-N 3.23Å; L75-L78 PolarHBondContact O-N 3.42Å; L75-E79 WeakPolarHBondContact O-CB 3.48Å; L75-E79 PolarHBondContact O-N 3.43Å
76G90.8Very high88.2Confident26 Ų2662.5 Ų62.527%0.26833%0.332SS..Hα-helixtrans-60.1-40.4175.500000112.2Q72 E79 Q80Q72-G76 PolarHBondContact O-N 3.38Å; G76-E79 PolarHBondContact O-N 3.48Å; G76-Q80 VanDerWaalsContact O-CG 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.41Å; G76-Q80 PolarHBondContact O-N 3.43Å
77F93.7Very high86.3Confident6 Ų664.3 Ų64.33%0.02636%0.362CS..Hα-helixtrans-60.5-48.4172.6169.3-101.9000112.4L16 L56 C57 L64 I65 R73 L75 E79 Q80 L81L16-F77 HydrophobicContact CD2-CE1 3.94Å; L56-F77 HydrophobicContact CB-CD2 4.02Å; L56-F77 HydrophobicContact CB-CE2 3.82Å; L56-F77 HydrophobicContact CD1-CE2 4.42Å; C57-F77 HydrophobicContact CB-CE2 4.38Å; L64-F77 HydrophobicContact CD1-CB 4.2Å; L64-F77 HydrophobicContact CD2-CB 4.05Å; L64-F77 HydrophobicContact CD2-CD1 4.46Å; L64-F77 HydrophobicContact CD2-CD2 3.79Å; L64-F77 HydrophobicContact CD2-CE2 4.39Å; L64-F77 HydrophobicContact CD2-CG 3.83Å; L64-F77 HydrophobicContact CG-CB 4.31Å; L64-F77 HydrophobicContact CG-CD1 4.32Å; L64-F77 HydrophobicContact CG-CD2 4.5Å; L64-F77 HydrophobicContact CG-CG 4.12Å; I65-F77 HydrophobicContact CD1-CE1 4.1Å; I65-F77 HydrophobicContact CD1-CZ 3.84Å; R73-F77 WeakPolarHBondContact O-CB 3.49Å; R73-F77 PolarHBondContact O-N 3.03Å; L75-F77 VanDerWaalsContact C-N 3.29Å; L75-F77 PolarHBondContact O-N 3.23Å; F77-E79 PolarHBondContact O-N 3.03Å; F77-Q80 PolarHBondContact O-N 3.02Å; F77-L81 HydrophobicContact CE1-CD2 4.28Å; F77-L81 HydrophobicContact CE2-CD1 4.48Å; F77-L81 HydrophobicContact CZ-CD1 4.19Å; F77-L81 HydrophobicContact CZ-CD2 4.3Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 PolarHBondContact O-N 2.99Å
78L91.8Very high84.3Confident9 Ų968.2 Ų68.25%0.04739%0.389CS..Hα-helixtrans-63.5-39.9179.1-82.6165.7000112.4L5 L16 I19 Q74 L75 L81 L82L5-L78 HydrophobicContact CB-CD1 3.98Å; L5-L78 HydrophobicContact CD2-CD1 4.19Å; L5-L78 HydrophobicContact CG-CD1 4.47Å; L16-L78 HydrophobicContact CD2-CD2 3.59Å; I19-L78 HydrophobicContact CD1-CD2 4.11Å; Q74-L78 WeakPolarHBondContact O-CG 3.33Å; Q74-L78 PolarHBondContact O-N 2.96Å; L75-L78 PolarHBondContact O-N 3.42Å; L78-L81 PolarHBondContact O-N 3.23Å; L78-L82 VanDerWaalsContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.48Å
79E90.6Very high82Confident142 Ų14267.1 Ų67.166%0.66440%0.398SS*.Hα-helixtrans-61.6-47.4176-177.2177.3-163.600111.2L75 G76 F77 L81 L82 S83L75-E79 WeakPolarHBondContact O-CB 3.48Å; L75-E79 PolarHBondContact O-N 3.43Å; G76-E79 PolarHBondContact O-N 3.48Å; F77-E79 PolarHBondContact O-N 3.03Å; E79-L81 PolarHBondContact O-N 3.3Å; E79-L82 PolarHBondContact O-N 3.33Å; E79-S83 PolarHBondContact O-N 2.89Å
80Q90.1Very high79.7Confident101 Ų10169.8 Ų69.847%0.47243%0.428SS..Hα-helixtrans-61.5-44.5176-70.7177.2-30.900111.4L56 G76 F77 L82 S83 L84L56-Q80 HydrophobicContact CD2-CB 3.73Å; G76-Q80 VanDerWaalsContact O-CG 3.29Å; G76-Q80 WeakPolarHBondContact O-CG 3.41Å; G76-Q80 PolarHBondContact O-N 3.43Å; F77-Q80 PolarHBondContact O-N 3.02Å; Q80-L82 VanDerWaalsContact C-N 3.33Å; Q80-L82 PolarHBondContact O-N 3.38Å; Q80-S83 PolarHBondContact O-N 2.92Å; Q80-S83 PolarHBondContact O-OG 3.41Å; Q80-L84 PolarHBondContact O-N 3.48Å
81L89.3Confident77.4Confident0 Ų074.7 Ų74.70%044%0.443CS..Hα-helixtrans-61.9-40.1177.8-160.279.3000111.8L16 I19 I23 L56 F77 L78 E79 L84L16-L81 HydrophobicContact CD2-CD2 3.95Å; I19-L81 HydrophobicContact CB-CD2 3.95Å; I19-L81 HydrophobicContact CD1-CD2 4.12Å; I19-L81 HydrophobicContact CG2-CB 4.43Å; I19-L81 HydrophobicContact CG2-CD2 3.39Å; I19-L81 HydrophobicContact CG2-CG 3.54Å; I23-L81 HydrophobicContact CD1-CD1 3.98Å; I23-L81 HydrophobicContact CD1-CG 4Å; L56-L81 HydrophobicContact CD1-CB 4.17Å; L56-L81 HydrophobicContact CD1-CD1 3.35Å; L56-L81 HydrophobicContact CD1-CG 4.34Å; F77-L81 HydrophobicContact CE1-CD2 4.28Å; F77-L81 HydrophobicContact CE2-CD1 4.48Å; F77-L81 HydrophobicContact CZ-CD1 4.19Å; F77-L81 HydrophobicContact CZ-CD2 4.3Å; F77-L81 WeakPolarHBondContact O-CB 3.48Å; F77-L81 PolarHBondContact O-N 2.99Å; L78-L81 PolarHBondContact O-N 3.23Å; E79-L81 PolarHBondContact O-N 3.3Å; L81-L84 PolarHBondContact O-N 3.29Å
82L88.8Confident75.2Confident73 Ų7381.5 Ų81.538%0.38246%0.459SS..Hα-helixtrans-73.6-28.3177.8-74.2169.6000113.2I19 L78 E79 Q80 L84 V85 S86I19-L82 HydrophobicContact CD1-CD2 3.76Å; I19-L82 HydrophobicContact CD1-CG 4.17Å; I19-L82 HydrophobicContact CG1-CD2 4.03Å; L78-L82 VanDerWaalsContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CB 3.43Å; L78-L82 VanDerWaalsContact O-CG 3.23Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.48Å; E79-L82 PolarHBondContact O-N 3.33Å; Q80-L82 VanDerWaalsContact C-N 3.33Å; Q80-L82 PolarHBondContact O-N 3.38Å; L82-L84 PolarHBondContact O-N 3.07Å; L82-V85 PolarHBondContact O-N 3.38Å; L82-V85 VanDerWaalsContact O-N 3.16Å; L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.49Å; L82-S86 PolarHBondContact O-OG 2.88Å
83S84Confident73.5Confident73 Ų7377.4 Ų77.451%0.5145%0.445SS..Hα-helixtrans-62.8-33174.776.20000111.9E79 Q80 S86E79-S83 PolarHBondContact O-N 2.89Å; Q80-S83 PolarHBondContact O-N 2.92Å; Q80-S83 PolarHBondContact O-OG 3.41Å; S83-S86 CarbonylContact O-C 3.33Å; S83-S86 PolarHBondContact O-N 2.87Å
84L82.6Confident72Confident85 Ų8575.9 Ų75.945%0.44545%0.447SS..Hα-helixtrans-70.6-30.4174.8-60.9174.3000113.1I23 L54 L56 Q80 L81 L82 S86I23-L84 HydrophobicContact CD1-CB 4.09Å; I23-L84 HydrophobicContact CD1-CD1 4.35Å; I23-L84 HydrophobicContact CG1-CB 4.31Å; L54-L84 HydrophobicContact CB-CD1 4.4Å; L54-L84 HydrophobicContact CD1-CD1 4.04Å; L54-L84 HydrophobicContact CD2-CD1 4.32Å; L54-L84 HydrophobicContact CG-CD1 4.49Å; L56-L84 HydrophobicContact CD1-CD1 3.94Å; Q80-L84 PolarHBondContact O-N 3.48Å; L81-L84 PolarHBondContact O-N 3.29Å; L82-L84 PolarHBondContact O-N 3.07Å; L84-S86 VanDerWaalsContact C-N 3.31Å
85V76.8Confident70.6Confident51 Ų5178.9 Ų78.931%0.30947%0.472SS..Hα-helixtrans-73.7-28.9171.8179.70000111.1I19 R22 I23 L82I19-V85 HydrophobicContact CG2-CG2 3.78Å; R22-V85 HydrophobicContact CB-CG1 4.13Å; R22-V85 HydrophobicContact CB-CG2 4.07Å; I23-V85 HydrophobicContact CD1-CG2 4.17Å; I23-V85 HydrophobicContact CG1-CG2 3.69Å; L82-V85 PolarHBondContact O-N 3.38Å; L82-V85 VanDerWaalsContact O-N 3.16Å
86S60.4Low69.4Low57 Ų5782.4 Ų82.440%0.39949%0.487SS..  trans-101.538.6-169.4-52.90000113L82 S83 L84 S88 S89L82-S86 WeakPolarHBondContact O-CB 3.38Å; L82-S86 PolarHBondContact O-N 3.49Å; L82-S86 PolarHBondContact O-OG 2.88Å; S83-S86 CarbonylContact O-C 3.33Å; S83-S86 PolarHBondContact O-N 2.87Å; L84-S86 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 3.36Å; S86-S89 PolarHBondContact O-N 3.42Å
87G51.5Low68.3Low78 Ų7883.6 Ų83.680%0.80449%0.493SS*.THydrogen-bonded Turntrans-59.838.6-176.700000117.6
88S47.6Very low67.3Low85 Ų8587 Ų8759%0.59451%0.512SS*.THydrogen-bonded Turntrans-162.324.2176.967.40000115.8S86S86-S88 PolarHBondContact O-N 3.36Å
89S44.4Very low66.5Low108 Ų10891.5 Ų91.576%0.75554%0.535SS*.  trans-95.40.6179.367.90000116.1S86S86-S89 PolarHBondContact O-N 3.42Å
90G42Very low65.9Low74 Ų7488.6 Ų88.676%0.76353%0.53SS*.SBendtrans-92.4100170.700000111.2
91H44.5Very low65.5Low168 Ų16889.3 Ų89.378%0.77853%0.533SS*.  trans60.580.2179.7-103.5-77.5000114.9T93H91-T93 PolarHBondContact O-N 2.95Å
92R45.4Very low64.9Low215 Ų21592.4 Ų92.481%0.81155%0.552SS**  trans-68.472.3149.1-68.5-121.6-70.6-127.52.7108.5D94R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 3.43Å
93T52.5Low64.5Low81 Ų8194.8 Ų94.850%0.49756%0.56SS.*  trans-56.1115.2140.3-2.80000103.8H91 A95 L98H91-T93 PolarHBondContact O-N 2.95Å; T93-A95 PolarHBondContact O-N 3.02Å; T93-L98 HydrophobicContact CG2-CD1 4.35Å; T93-L98 HydrophobicContact CG2-CD2 4.48Å; T93-L98 HydrophobicContact CG2-CG 4.45Å
94D60.3Low64.7Low91 Ų9193.9 Ų93.949%0.48755%0.551SS.*  trans-45.9106-179.2177.313.2000108.4R92 E96 A97 L98R92-D94 VanDerWaalsContact C-N 3.34Å; R92-D94 PolarHBondContact O-N 3.43Å; D94-E96 PolarHBondContact O-N 3.31Å; D94-E96 VanDerWaalsContact O-N 3.13Å; D94-E96 VanDerWaalsContact OD1-CB 3.24Å; D94-E96 WeakPolarHBondContact OD1-CB 3.5Å; D94-E96 PolarHBondContact OD1-N 3.31Å; D94-A97 HydrophobicContact CB-CB 3.69Å; D94-A97 WeakPolarHBondContact O-CA 3.12Å; D94-A97 WeakPolarHBondContact O-CB 3.19Å; D94-A97 PolarHBondContact O-N 3.47Å; D94-L98 PolarHBondContact O-N 3.09Å
95A64.4Low64.7Low65 Ų6594.1 Ų94.154%0.53757%0.565SS.*Hα-helixtrans-60.4-26.3-175.300000109.8T93 L99T93-A95 PolarHBondContact O-N 3.02Å; A95-L99 WeakPolarHBondContact O-CB 3.24Å; A95-L99 WeakPolarHBondContact O-CD1 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 3.1Å
96E65.8Low65.1Low143 Ų14399.2 Ų99.267%0.66859%0.586SS**Hα-helixtrans-70-43.1172.4-155.6158.3-168.400111.1D94 L98 L99 C100D94-E96 PolarHBondContact O-N 3.31Å; D94-E96 VanDerWaalsContact O-N 3.13Å; D94-E96 VanDerWaalsContact OD1-CB 3.24Å; D94-E96 WeakPolarHBondContact OD1-CB 3.5Å; D94-E96 PolarHBondContact OD1-N 3.31Å; E96-L98 PolarHBondContact O-N 2.91Å; E96-L99 PolarHBondContact O-N 3.03Å; E96-C100 WeakPolarHBondContact O-CB 3.48Å; E96-C100 PolarHBondContact O-N 3.17Å; E96-C100 PolarHBondContact O-SG 3.45Å
97A68.4Low66.1Low50 Ų5099.7 Ų99.741%0.41358%0.584SS.*Hα-helixtrans-62.2-40.8173.300000113D94 C100 E101D94-A97 HydrophobicContact CB-CB 3.69Å; D94-A97 WeakPolarHBondContact O-CA 3.12Å; D94-A97 WeakPolarHBondContact O-CB 3.19Å; D94-A97 PolarHBondContact O-N 3.47Å; A97-C100 WeakPolarHBondContact O-CB 3.31Å; A97-C100 PolarHBondContact O-N 2.86Å; A97-E101 WeakPolarHBondContact O-CB 3.35Å; A97-E101 PolarHBondContact O-N 2.87Å
98L72.5Confident67.7Low79 Ų7999.8 Ų99.841%0.41457%0.565SS.*Hα-helixtrans-67.6-40.4175.7-71.4175.3000111.9T93 D94 E96 E101 V102T93-L98 HydrophobicContact CG2-CD1 4.35Å; T93-L98 HydrophobicContact CG2-CD2 4.48Å; T93-L98 HydrophobicContact CG2-CG 4.45Å; D94-L98 PolarHBondContact O-N 3.09Å; E96-L98 PolarHBondContact O-N 2.91Å; L98-E101 WeakPolarHBondContact O-CB 3.18Å; L98-E101 PolarHBondContact O-N 3.28Å; L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.5Å; L98-V102 PolarHBondContact O-N 3.2Å
99L75.1Confident69.2Low102 Ų10299.1 Ų99.153%0.53456%0.559SS.*Hα-helixtrans-64.5-42.8173.5-75.2169.2000110.9A95 E96 E101 V102 F103A95-L99 WeakPolarHBondContact O-CB 3.24Å; A95-L99 WeakPolarHBondContact O-CD1 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.4Å; A95-L99 PolarHBondContact O-N 3.1Å; E96-L99 PolarHBondContact O-N 3.03Å; L99-E101 VanDerWaalsContact C-N 3.29Å; L99-E101 PolarHBondContact O-N 3.4Å; L99-V102 PolarHBondContact O-N 3.29Å; L99-F103 HydrophobicContact CD2-CE2 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.47Å; L99-F103 PolarHBondContact O-N 2.93Å
100C78.1Confident70.9Confident82 Ų8299.5 Ų99.555%0.55455%0.549SS*.Hα-helixtrans-58.2-41.7173.1-73.70000111.5E96 A97 F103 T104E96-C100 WeakPolarHBondContact O-CB 3.48Å; E96-C100 PolarHBondContact O-N 3.17Å; E96-C100 PolarHBondContact O-SG 3.45Å; A97-C100 WeakPolarHBondContact O-CB 3.31Å; A97-C100 PolarHBondContact O-N 2.86Å; C100-F103 CarbonylContact O-C 3.5Å; C100-F103 PolarHBondContact O-N 2.73Å; C100-T104 VanDerWaalsContact O-CG2 3.31Å; C100-T104 WeakPolarHBondContact O-CG2 3.31Å; C100-T104 PolarHBondContact O-N 2.93Å
101E81Confident72.7Confident115 Ų11598.2 Ų98.254%0.53752%0.524SS..Hα-helixtrans-61.8-44176.6-167.3175.717800112A97 L98 L99 F103 T104 N107A97-E101 WeakPolarHBondContact O-CB 3.35Å; A97-E101 PolarHBondContact O-N 2.87Å; L98-E101 WeakPolarHBondContact O-CB 3.18Å; L98-E101 PolarHBondContact O-N 3.28Å; L99-E101 VanDerWaalsContact C-N 3.29Å; L99-E101 PolarHBondContact O-N 3.4Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.33Å; E101-T104 WeakPolarHBondContact O-CB 3.5Å; E101-T104 WeakPolarHBondContact O-CG2 3.39Å; E101-T104 PolarHBondContact O-N 3.25Å; E101-T104 PolarHBondContact O-OG1 3.22Å; E101-N107 PolarHBondContact O-ND2 3.47Å
102V77.3Confident74.4Confident66 Ų6698.1 Ų98.140%0.452%0.517SS..Hα-helixtrans-65.3-35177.1173.20000112.1L98 L99 N107 L111L98-V102 VanDerWaalsContact O-CG2 3.31Å; L98-V102 WeakPolarHBondContact O-CG2 3.5Å; L98-V102 PolarHBondContact O-N 3.2Å; L99-V102 PolarHBondContact O-N 3.29Å; V102-N107 WeakPolarHBondContact O-CB 3.49Å; V102-L111 HydrophobicContact CG1-CD1 3.82Å
103F80.6Confident75.8Confident123 Ų12394.4 Ų94.454%0.53951%0.509SS..THydrogen-bonded Turntrans-93.18.2178.7-71.2-70.7000114.4L99 C100 E101 L108 L111L99-F103 HydrophobicContact CD2-CE2 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.47Å; L99-F103 PolarHBondContact O-N 2.93Å; C100-F103 CarbonylContact O-C 3.5Å; C100-F103 PolarHBondContact O-N 2.73Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.33Å; F103-L108 HydrophobicContact CD1-CD1 4.46Å; F103-L111 HydrophobicContact CD1-CD2 4.1Å; F103-L111 HydrophobicContact CE1-CD2 3.74Å; F103-L111 HydrophobicContact CZ-CD2 4.47Å
104T87.2Confident76.7Confident53 Ų5398 Ų9833%0.32552%0.522SS..SBendtrans-59.4151.5172.254.10000111.5C100 E101 E106 N107 L108C100-T104 VanDerWaalsContact O-CG2 3.31Å; C100-T104 WeakPolarHBondContact O-CG2 3.31Å; C100-T104 PolarHBondContact O-N 2.93Å; E101-T104 WeakPolarHBondContact O-CB 3.5Å; E101-T104 WeakPolarHBondContact O-CG2 3.39Å; E101-T104 PolarHBondContact O-N 3.25Å; E101-T104 PolarHBondContact O-OG1 3.22Å; T104-E106 PolarHBondContact O-N 3.22Å; T104-E106 VanDerWaalsContact O-N 3.1Å; T104-N107 PolarHBondContact O-N 2.78Å; T104-N107 PolarHBondContact OG1-ND2 2.9Å; T104-N107 VanDerWaalsContact OG1-ND2 3.17Å; T104-L108 WeakPolarHBondContact O-CB 3.47Å; T104-L108 PolarHBondContact O-N 3.18Å
105A82.7Confident77.3Confident91 Ų91100 Ų10075%0.75253%0.531SS*.THydrogen-bonded Turntrans-57.2-28.3-179.700000113.2P109A105-P109 WeakPolarHBondContact O-CD 3.38Å
106E85.4Confident77.2Confident158 Ų158105.6 Ų105.674%0.73854%0.539SS*.THydrogen-bonded Turntrans-73.5-36.6177.5-61-178.5-176.100112.3T104 P109 H110T104-E106 PolarHBondContact O-N 3.22Å; T104-E106 VanDerWaalsContact O-N 3.1Å; E106-P109 WeakPolarHBondContact O-CD 3.23Å; E106-H110 PolarHBondContact O-CE1 3.2Å; E106-H110 PolarHBondContact O-ND1 2.9Å; E106-H110 VanDerWaalsContact O-ND1 3.09Å
107N81.8Confident76.7Confident66 Ų66103 Ų10335%0.35353%0.534SS..THydrogen-bonded Turntrans-91.7-22.2-177.3-69.5-31000113.5E101 V102 T104 H110 L111E101-N107 PolarHBondContact O-ND2 3.47Å; V102-N107 WeakPolarHBondContact O-CB 3.49Å; T104-N107 PolarHBondContact O-N 2.78Å; T104-N107 PolarHBondContact OG1-ND2 2.9Å; T104-N107 VanDerWaalsContact OG1-ND2 3.17Å; N107-H110 WeakPolarHBondContact O-CB 3.39Å; N107-H110 PolarHBondContact O-N 3.39Å; N107-H110 VanDerWaalsContact O-N 3.14Å; N107-L111 PolarHBondContact O-N 3.31Å
108L83.8Confident76Confident80 Ų80105 Ų10542%0.41955%0.551SS.*Hα-helixtrans-52.6-43.8178.7-153.1106.2000115.2F103 T104 L111 R112F103-L108 HydrophobicContact CD1-CD1 4.46Å; T104-L108 WeakPolarHBondContact O-CB 3.47Å; T104-L108 PolarHBondContact O-N 3.18Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 3.17Å; L108-R112 PolarHBondContact O-N 3.43Å
109P80.9Confident75.1Confident72 Ų72107.1 Ų107.147%0.46856%0.562SS.*Hα-helixtrans-66.2-36.3177.922.3-31000112.8A105 E106 R112 Q113A105-P109 WeakPolarHBondContact O-CD 3.38Å; E106-P109 WeakPolarHBondContact O-CD 3.23Å; P109-R112 PolarHBondContact O-N 3.38Å; P109-Q113 WeakPolarHBondContact O-CB 3.35Å; P109-Q113 PolarHBondContact O-N 2.96Å
110H79.5Confident73.9Confident116 Ų116108.3 Ų108.354%0.53757%0.569SS.*Hα-helixtrans-68.2-44176.8-56.493000111.1E106 N107 R112 Q113 M114E106-H110 PolarHBondContact O-CE1 3.2Å; E106-H110 PolarHBondContact O-ND1 2.9Å; E106-H110 VanDerWaalsContact O-ND1 3.09Å; N107-H110 WeakPolarHBondContact O-CB 3.39Å; N107-H110 PolarHBondContact O-N 3.39Å; N107-H110 VanDerWaalsContact O-N 3.14Å; H110-R112 VanDerWaalsContact C-N 3.31Å; H110-R112 PolarHBondContact O-N 3.48Å; H110-Q113 PolarHBondContact O-N 3.14Å; H110-M114 PolarHBondContact O-N 2.93Å
111L80.6Confident72.6Confident46 Ų46110.3 Ų110.324%0.24158%0.581CS.*Hα-helixtrans-59.8-42.4173.4-16883000111.3V102 F103 N107 L108 Q113 M114 L115V102-L111 HydrophobicContact CG1-CD1 3.82Å; F103-L111 HydrophobicContact CD1-CD2 4.1Å; F103-L111 HydrophobicContact CE1-CD2 3.74Å; F103-L111 HydrophobicContact CZ-CD2 4.47Å; N107-L111 PolarHBondContact O-N 3.31Å; L108-L111 PolarHBondContact O-N 3.13Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3Å; L111-M114 PolarHBondContact O-N 3.25Å; L111-L115 HydrophobicContact CD2-CD1 4.3Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3Å
112R78.8Confident71.3Confident166 Ų166111.3 Ų111.363%0.62658%0.58SS**Hα-helixtrans-66.2-34.2178.4-164.6173.2-177.3163.6-0.3112.3L108 P109 H110 R116L108-R112 VanDerWaalsContact O-CB 3.29Å; L108-R112 WeakPolarHBondContact O-CB 3.17Å; L108-R112 PolarHBondContact O-N 3.43Å; P109-R112 PolarHBondContact O-N 3.38Å; H110-R112 VanDerWaalsContact C-N 3.31Å; H110-R112 PolarHBondContact O-N 3.48Å; R112-R116 WeakPolarHBondContact O-CB 3.29Å; R112-R116 PolarHBondContact O-N 2.96Å
113Q75.5Confident70.3Confident138 Ų138111.6 Ų111.665%0.64558%0.583SS**Hα-helixtrans-71.8-35174.1-171.8177.415.300112.5P109 H110 L111 R116P109-Q113 WeakPolarHBondContact O-CB 3.35Å; P109-Q113 PolarHBondContact O-N 2.96Å; H110-Q113 PolarHBondContact O-N 3.14Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3Å; Q113-R116 CarbonylContact O-C 3.3Å
114M70.2Confident69.1Low156 Ų156109.5 Ų109.577%0.76859%0.589SS**Hα-helixtrans-68.8-39.4172.9-76.4-178.858.200112.6H110 L111H110-M114 PolarHBondContact O-N 2.93Å; L111-M114 PolarHBondContact O-N 3.25Å
115L73.6Confident67.6Low132 Ų132113.2 Ų113.269%0.69160%0.602SS**Hα-helixtrans-80.3-20.6-179.9-67.1172.5000113.3L111L111-L115 HydrophobicContact CD2-CD1 4.3Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 3Å
116R61.8Low66.2Low184 Ų184110.5 Ų110.569%0.69458%0.576SS**SBendtrans-12781.5167.6-88-174.3170.3136.3-2.6108.6R112 Q113 A118R112-R116 WeakPolarHBondContact O-CB 3.29Å; R112-R116 PolarHBondContact O-N 2.96Å; Q113-R116 CarbonylContact O-C 3.3Å; R116-A118 PolarHBondContact O-N 2.96Å
117P55Low64.6Low88 Ų88109.6 Ų109.657%0.57157%0.572SS**  trans-55.7120.9163.724.9-31.4000106.7L119P117-L119 PolarHBondContact O-N 2.83Å
118A54.8Low63.2Low92 Ų92109.7 Ų109.776%0.7658%0.581SS**  trans-6790.9172.100000106.6R116 D120R116-A118 PolarHBondContact O-N 2.96Å; A118-D120 PolarHBondContact O-N 3.18Å
119L53.2Low61.6Low123 Ų123111.7 Ų111.764%0.64459%0.592SS**  trans-74.275.8160.7-68.2170.3000105.8P117 W122P117-L119 PolarHBondContact O-N 2.83Å; L119-W122 PolarHBondContact O-NE1 3.23Å; L119-W122 VanDerWaalsContact O-NE1 3.11Å
120D50.3Low60Low127 Ų127118.3 Ų118.368%0.67961%0.609SS**  trans-147.6136.8159.2-103.8-21.9000110.7A118 W122A118-D120 PolarHBondContact O-N 3.18Å; D120-W122 PolarHBondContact OD1-N 2.84Å
121P51.7Low58.5Low124 Ų124120.4 Ų120.481%0.80562%0.619SS**SBendcis-84.41366.2-3.221.9000111.7
122W53.7Low56.7Low136 Ų136123.4 Ų123.452%0.51564%0.639SS.*PPolyproline II helixtrans-57.4138.8158.1-77.263.2000108.8L119 D120 A124 V126L119-W122 PolarHBondContact O-NE1 3.23Å; L119-W122 VanDerWaalsContact O-NE1 3.11Å; D120-W122 PolarHBondContact OD1-N 2.84Å; W122-A124 PolarHBondContact O-N 2.99Å; W122-V126 HydrophobicContact CE3-CB 4.02Å; W122-V126 HydrophobicContact CE3-CG1 3.69Å; W122-V126 HydrophobicContact CE3-CG2 4.22Å; W122-V126 HydrophobicContact CZ3-CG1 3.9Å
123P55.3Low55Low73 Ų73120 Ų12047%0.47464%0.639SS.*PPolyproline II helixtrans-63133.5178.923.8-30000109.6H125 V126P123-H125 VanDerWaalsContact CB-CE1 3.43Å; P123-H125 WeakPolarHBondContact CB-CE1 3.26Å; P123-H125 WeakPolarHBondContact CG-CE1 3.45Å; P123-H125 PolarHBondContact O-N 2.99Å; P123-V126 HydrophobicContact CG-CG2 4.41Å; P123-V126 PolarHBondContact O-N 3.46Å
124A54.5Low53.6Low79 Ų79123.1 Ų123.165%0.65365%0.653SS**THydrogen-bonded Turntrans-52.6-16-167.500000116.2W122 V126W122-A124 PolarHBondContact O-N 2.99Å; A124-V126 PolarHBondContact O-N 3.17Å
125H57.1Low52.7Low131 Ų131120.4 Ų120.461%0.60665%0.649SS**THydrogen-bonded Turntrans-72-14.5175.466.4-94.5000113.9P123P123-H125 VanDerWaalsContact CB-CE1 3.43Å; P123-H125 WeakPolarHBondContact CB-CE1 3.26Å; P123-H125 WeakPolarHBondContact CG-CE1 3.45Å; P123-H125 PolarHBondContact O-N 2.99Å
126V53.6Low51.3Low34 Ų34118.6 Ų118.621%0.20665%0.654CS.*THydrogen-bonded Turntrans-92.3-31.5179.5-168.80000112.1W122 P123 A124 A128 L129W122-V126 HydrophobicContact CE3-CB 4.02Å; W122-V126 HydrophobicContact CE3-CG1 3.69Å; W122-V126 HydrophobicContact CE3-CG2 4.22Å; W122-V126 HydrophobicContact CZ3-CG1 3.9Å; P123-V126 HydrophobicContact CG-CG2 4.41Å; P123-V126 PolarHBondContact O-N 3.46Å; A124-V126 PolarHBondContact O-N 3.17Å; V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 2.96Å; V126-L129 WeakPolarHBondContact O-CB 3.28Å; V126-L129 PolarHBondContact O-N 2.81Å
127E50.8Low50.3Low138 Ų138118.1 Ų118.165%0.64566%0.664SS**G310 helixtrans-65.1-33.3171.8-75.8-176.1150.100111.8L129 Y130E127-L129 PolarHBondContact O-N 3.04Å; E127-L129 VanDerWaalsContact O-N 3.11Å; E127-Y130 PolarHBondContact O-N 2.95Å
128A52.4Low49.7Very low68 Ų68123.1 Ų123.156%0.56268%0.677SS**G310 helixtrans-65.3-11175.600000114.3V126V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 2.96Å
129L50.6Low49.2Very low123 Ų123124.6 Ų124.664%0.64468%0.678SS**G310 helixtrans-89.8-14.4178-65.6172.3000113.4V126 E127V126-L129 WeakPolarHBondContact O-CB 3.28Å; V126-L129 PolarHBondContact O-N 2.81Å; E127-L129 PolarHBondContact O-N 3.04Å; E127-L129 VanDerWaalsContact O-N 3.11Å
130Y46.8Very low49Very low210 Ų210122.4 Ų122.482%0.82469%0.686SS**THydrogen-bonded Turntrans-100.4-22.1179.1-84.2-86.7000113.7E127 V132E127-Y130 PolarHBondContact O-N 2.95Å; Y130-V132 PolarHBondContact O-N 3.27Å
131E49Very low48.6Very low161 Ų161123.6 Ų123.675%0.75269%0.687SS**  trans-97.981.5169.6-71.7-76.4155.100108.6P133E131-P133 WeakPolarHBondContact O-CD 3.43Å
132V41.4Very low48.8Very low109 Ų109126.9 Ų126.966%0.66169%0.692SS**  trans-94.8100.8164.11790000107.8Y130Y130-V132 PolarHBondContact O-N 3.27Å
133P44Very low48.5Very low95 Ų95126.5 Ų126.562%0.61769%0.694SS**  trans-65.9129.9152.10.711.8000107.7E131 S135E131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-S135 PolarHBondContact O-N 3.46Å
134E45.2Very low48.5Very low203 Ų203127.8 Ų127.895%0.94970%0.702SS**SBendtrans-59.416-178.4-68.9-170.314100116.1
135S52.1Low48.9Very low98 Ų98129.7 Ų129.769%0.68570%0.701SS**  trans-124.5116.5177.669.80000111.9P133P133-S135 PolarHBondContact O-N 3.46Å
136A44.9Very low49.5Very low94 Ų94127.2 Ų127.278%0.77770%0.695SS**  trans112.167.4155.500000116K138A136-K138 PolarHBondContact O-N 2.95Å
137L40Very low50.5Low175 Ų175129.2 Ų129.292%0.91671%0.711SS**  trans-77.3107.9147.4-149.883.6000108.1
138K41.3Very low52Low192 Ų192127.4 Ų127.484%0.83571%0.706SS**  trans-107.5123.4157.5-79-169.1178.6178.50108.2A136A136-K138 PolarHBondContact O-N 2.95Å
139P45.3Very low53.5Low123 Ų123129.1 Ų129.180%0.79971%0.705SS**  trans-84135.417631.7-28.9000110.1
140G49.9Very low55.1Low77 Ų77128 Ų12879%0.79470%0.699SS**  trans118.778.3161.500000115.1
141E41.1Very low57Low153 Ų153124.5 Ų124.572%0.71569%0.69SS**  trans-133103.4142.8-101.8173.9176.700106.2F143E141-F143 HydrophobicContact CB-CD2 4.43Å; E141-F143 HydrophobicContact CB-CE2 3.9Å; E141-F143 HydrophobicContact CB-CZ 3.99Å; E141-F143 VanDerWaalsContact O-CD2 3.24Å; E141-F143 WeakPolarHBondContact O-CD2 3.14Å; E141-F143 PolarHBondContact O-N 2.65Å; E141-F143 VanDerWaalsContact O-N 3.14Å
142E54.9Low58.8Low193 Ų193119.2 Ų119.290%0.90267%0.671SS**  trans-64.1108.7163.9-75.6178161.400106.2P144E142-P144 WeakPolarHBondContact O-CD 3.25Å
143F48.8Very low60.8Low127 Ų127116.7 Ų116.756%0.55766%0.656SS**  trans-83.7102.8173.5-70.4-82.7000108.3E141 D145 V146E141-F143 HydrophobicContact CB-CD2 4.43Å; E141-F143 HydrophobicContact CB-CE2 3.9Å; E141-F143 HydrophobicContact CB-CZ 3.99Å; E141-F143 VanDerWaalsContact O-CD2 3.24Å; E141-F143 WeakPolarHBondContact O-CD2 3.14Å; E141-F143 PolarHBondContact O-N 2.65Å; E141-F143 VanDerWaalsContact O-N 3.14Å; F143-D145 PolarHBondContact O-N 3.19Å; F143-D145 VanDerWaalsContact O-N 3.15Å; F143-V146 HydrophobicContact CB-CG2 3.76Å; F143-V146 PolarHBondContact O-N 3.29Å
144P55.5Low62.9Low100 Ų100117.6 Ų117.665%0.64965%0.652SS**Hα-helixtrans-57.8-27.5174.821.9-32.4000111.9E142 V146 S147 D148E142-P144 WeakPolarHBondContact O-CD 3.25Å; P144-V146 PolarHBondContact O-N 3.33Å; P144-S147 PolarHBondContact O-N 3.02Å; P144-D148 PolarHBondContact O-N 3.35Å
145D61.5Low65Low119 Ų119111.7 Ų111.764%0.63663%0.63SS**Hα-helixtrans-64.9-31.2-178.3-163.227.5000113.9F143 L149F143-D145 PolarHBondContact O-N 3.19Å; F143-D145 VanDerWaalsContact O-N 3.15Å; D145-L149 WeakPolarHBondContact O-CB 3.15Å; D145-L149 PolarHBondContact O-N 3.4Å
146V70.1Confident66.8Low79 Ų79112.5 Ų112.548%0.47962%0.623SS.*Hα-helixtrans-76-36.5-177.1-176.90000111.4F143 P144 L150F143-V146 HydrophobicContact CB-CG2 3.76Å; F143-V146 PolarHBondContact O-N 3.29Å; P144-V146 PolarHBondContact O-N 3.33Å; V146-L150 HydrophobicContact CG1-CD1 4.31Å; V146-L150 VanDerWaalsContact O-CB 3.29Å; V146-L150 WeakPolarHBondContact O-CB 3.47Å; V146-L150 PolarHBondContact O-N 3.27Å
147S75.4Confident68.7Low77 Ų77113.5 Ų113.554%0.53862%0.615SS.*Hα-helixtrans-69.9-40.2176.6-70.50000111.5P144 L150 Q151P144-S147 PolarHBondContact O-N 3.02Å; S147-L150 PolarHBondContact O-N 2.62Å; S147-Q151 PolarHBondContact O-N 2.85Å
148D80.9Confident70.9Confident99 Ų99110.3 Ų110.353%0.52960%0.595SS.*Hα-helixtrans-68-39.6176-68.7-21.9000111.2P144 Q151 S152P144-D148 PolarHBondContact O-N 3.35Å; D148-Q151 PolarHBondContact O-N 2.64Å; D148-S152 VanDerWaalsContact O-CB 3.27Å; D148-S152 WeakPolarHBondContact O-CB 3.37Å; D148-S152 PolarHBondContact O-N 3.44Å
149L83.9Confident73.1Confident104 Ų104106.9 Ų106.955%0.54558%0.582SS.*Hα-helixtrans-66.4-38173.6-172.666.5000112D145 S152 T153D145-L149 WeakPolarHBondContact O-CB 3.15Å; D145-L149 PolarHBondContact O-N 3.4Å; L149-S152 PolarHBondContact O-N 3.41Å; L149-T153 WeakPolarHBondContact O-CB 3.29Å; L149-T153 WeakPolarHBondContact O-CG2 3.31Å; L149-T153 PolarHBondContact O-N 3.25Å; L149-T153 PolarHBondContact O-OG1 3.14Å
150L85.4Confident74.9Confident99 Ų99106.3 Ų106.352%0.51857%0.571SS.*Hα-helixtrans-65-44.9173.8-99162.2000111.6V146 S147 S152 T153 Q154V146-L150 HydrophobicContact CG1-CD1 4.31Å; V146-L150 VanDerWaalsContact O-CB 3.29Å; V146-L150 WeakPolarHBondContact O-CB 3.47Å; V146-L150 PolarHBondContact O-N 3.27Å; S147-L150 PolarHBondContact O-N 2.62Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 2.86Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 2.91Å; L150-T153 PolarHBondContact O-OG1 3.37Å; L150-Q154 WeakPolarHBondContact O-CB 3.16Å; L150-Q154 PolarHBondContact O-N 2.72Å
151Q86Confident76.2Confident137 Ų137108.3 Ų108.364%0.6456%0.56SS**Hα-helixtrans-64.4-38.9174.3-78.8-170.1-9.800111.8S147 D148 Q154 T155S147-Q151 PolarHBondContact O-N 2.85Å; D148-Q151 PolarHBondContact O-N 2.64Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q151-T155 WeakPolarHBondContact O-CB 3.14Å; Q151-T155 VanDerWaalsContact O-CG2 3.27Å; Q151-T155 WeakPolarHBondContact O-CG2 3.24Å; Q151-T155 PolarHBondContact O-N 3.2Å; Q151-T155 PolarHBondContact O-OG1 3.03Å
152S86.2Confident78Confident50 Ų50104 Ų10435%0.3555%0.547SS..Hα-helixtrans-64.1-44.9175.8-171.30000112.2D148 L149 L150 T155 Q156D148-S152 VanDerWaalsContact O-CB 3.27Å; D148-S152 WeakPolarHBondContact O-CB 3.37Å; D148-S152 PolarHBondContact O-N 3.44Å; L149-S152 PolarHBondContact O-N 3.41Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 2.86Å; S152-T155 WeakPolarHBondContact CA-OG1 3.46Å; S152-T155 PolarHBondContact O-OG1 3.47Å; S152-Q156 WeakPolarHBondContact O-CB 3.18Å; S152-Q156 VanDerWaalsContact O-CG 3.26Å; S152-Q156 WeakPolarHBondContact O-CG 3.32Å; S152-Q156 PolarHBondContact O-N 3.04Å
153T84.7Confident79.2Confident57 Ų57101.6 Ų101.635%0.3553%0.533SS..Hα-helixtrans-69.9-37177.646.30000112.1L149 L150 Q156 L157L149-T153 WeakPolarHBondContact O-CB 3.29Å; L149-T153 WeakPolarHBondContact O-CG2 3.31Å; L149-T153 PolarHBondContact O-N 3.25Å; L149-T153 PolarHBondContact O-OG1 3.14Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 2.91Å; L150-T153 PolarHBondContact O-OG1 3.37Å; T153-Q156 PolarHBondContact O-N 3.16Å; T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.01Å
154Q88Confident80.1Confident114 Ų11497.7 Ų97.753%0.53352%0.522SS..Hα-helixtrans-65.6-43.7175.1-175142.2-9.300111.9L150 Q151 Q156 L157 E158L150-Q154 WeakPolarHBondContact O-CB 3.16Å; L150-Q154 PolarHBondContact O-N 2.72Å; Q151-Q154 PolarHBondContact O-N 3.25Å; Q154-Q156 VanDerWaalsContact C-N 3.35Å; Q154-Q156 PolarHBondContact O-N 3.47Å; Q154-L157 PolarHBondContact O-N 3.17Å; Q154-E158 WeakPolarHBondContact O-CG 3.35Å; Q154-E158 PolarHBondContact O-N 3.11Å
155T89.7Confident80.5Confident79 Ų7997.2 Ų97.249%0.48551%0.513SS..Hα-helixtrans-65.4-36.6174.650.50000112.4Q151 S152 E158 Q159Q151-T155 WeakPolarHBondContact O-CB 3.14Å; Q151-T155 VanDerWaalsContact O-CG2 3.27Å; Q151-T155 WeakPolarHBondContact O-CG2 3.24Å; Q151-T155 PolarHBondContact O-N 3.2Å; Q151-T155 PolarHBondContact O-OG1 3.03Å; S152-T155 WeakPolarHBondContact CA-OG1 3.46Å; S152-T155 PolarHBondContact O-OG1 3.47Å; T155-E158 PolarHBondContact O-N 2.65Å; T155-Q159 WeakPolarHBondContact O-CB 3.21Å; T155-Q159 PolarHBondContact O-N 3.37Å
156Q88.9Confident80.4Confident114 Ų11498.2 Ų98.253%0.53351%0.513SS..Hα-helixtrans-65.4-40.1172.8-75.7177.220.200112.4S152 T153 Q154 Q159 L160S152-Q156 WeakPolarHBondContact O-CB 3.18Å; S152-Q156 VanDerWaalsContact O-CG 3.26Å; S152-Q156 WeakPolarHBondContact O-CG 3.32Å; S152-Q156 PolarHBondContact O-N 3.04Å; T153-Q156 PolarHBondContact O-N 3.16Å; Q154-Q156 VanDerWaalsContact C-N 3.35Å; Q154-Q156 PolarHBondContact O-N 3.47Å; Q156-Q159 PolarHBondContact O-N 2.86Å; Q156-L160 WeakPolarHBondContact O-CB 3.49Å; Q156-L160 PolarHBondContact O-N 3.48Å
157L84.7Confident79.8Confident116 Ų116100.3 Ų100.361%0.60752%0.52SS*.Hα-helixtrans-64.7-42.9175.4-80.6168000111.7T153 Q154 Q159 L160 Q161T153-L157 WeakPolarHBondContact O-CB 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.35Å; T153-L157 PolarHBondContact O-N 3.01Å; Q154-L157 PolarHBondContact O-N 3.17Å; L157-Q159 VanDerWaalsContact C-N 3.33Å; L157-Q159 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 2.9Å; L157-Q161 VanDerWaalsContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 PolarHBondContact O-N 3.47Å
158E86.8Confident78.9Confident108 Ų108101.8 Ų101.851%0.50552%0.522SS..Hα-helixtrans-64.3-37174.9-72.4172.5-175.700111.9Q154 T155 S162Q154-E158 WeakPolarHBondContact O-CG 3.35Å; Q154-E158 PolarHBondContact O-N 3.11Å; T155-E158 PolarHBondContact O-N 2.65Å; E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 3.28Å; E158-S162 PolarHBondContact O-OG 2.96Å
159Q87.5Confident77.6Confident120 Ų120100.6 Ų100.656%0.56152%0.521SS*.Hα-helixtrans-68-35.1172.6-115.9-175.111.800113.1T155 Q156 L157 S162 K163T155-Q159 WeakPolarHBondContact O-CB 3.21Å; T155-Q159 PolarHBondContact O-N 3.37Å; Q156-Q159 PolarHBondContact O-N 2.86Å; L157-Q159 VanDerWaalsContact C-N 3.33Å; L157-Q159 PolarHBondContact O-N 3.39Å; Q159-S162 WeakPolarHBondContact CA-OG 3.34Å; Q159-S162 PolarHBondContact O-OG 2.8Å; Q159-S162 VanDerWaalsContact O-OG 3.05Å; Q159-K163 VanDerWaalsContact O-CG 3.25Å; Q159-K163 WeakPolarHBondContact O-CG 3.41Å; Q159-K163 PolarHBondContact O-N 3.46Å
160L82.1Confident76.2Confident110 Ų110100.5 Ų100.558%0.57654%0.536SS*.Hα-helixtrans-72.4-42.3176.5-142.991.9000110.3Q156 L157 K163 C164Q156-L160 WeakPolarHBondContact O-CB 3.49Å; Q156-L160 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 2.9Å; L160-K163 WeakPolarHBondContact O-CB 3.35Å; L160-K163 PolarHBondContact O-N 3.38Å; L160-C164 WeakPolarHBondContact O-CB 3.41Å; L160-C164 PolarHBondContact O-N 3.15Å; L160-C164 PolarHBondContact O-SG 3.4Å; L160-C164 VanDerWaalsContact O-SG 3.38Å
161Q79.1Confident74.8Confident120 Ų120104 Ų10456%0.56155%0.549SS*.Hα-helixtrans-63.5-44.7178.7-170.6171.7-4.200111L157 K163 C164 D165L157-Q161 VanDerWaalsContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 PolarHBondContact O-N 3.47Å; Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 2.87Å; Q161-C164 CarbonylContact O-C 3.57Å; Q161-C164 VanDerWaalsContact O-C 3.3Å; Q161-C164 WeakPolarHBondContact O-CA 3.16Å; Q161-C164 WeakPolarHBondContact O-CB 3.42Å; Q161-C164 PolarHBondContact O-N 3.08Å; Q161-D165 PolarHBondContact O-N 3.16Å; Q161-D165 VanDerWaalsContact O-N 3.08Å
162S78.8Confident73.3Confident62 Ų62106.2 Ų106.243%0.43456%0.56SS.*Hα-helixtrans-63.8-34.5174.553.20000113.3E158 Q159 C164 D165E158-S162 WeakPolarHBondContact O-CB 3.47Å; E158-S162 PolarHBondContact O-N 3.28Å; E158-S162 PolarHBondContact O-OG 2.96Å; Q159-S162 WeakPolarHBondContact CA-OG 3.34Å; Q159-S162 PolarHBondContact O-OG 2.8Å; Q159-S162 VanDerWaalsContact O-OG 3.05Å; S162-C164 PolarHBondContact O-N 2.95Å; S162-D165 WeakPolarHBondContact CA-OD2 3.41Å; S162-D165 WeakPolarHBondContact O-CB 3.33Å; S162-D165 PolarHBondContact O-N 3.33Å
163K78.9Confident71.8Confident142 Ų142110 Ų11062%0.61758%0.576SS**Hα-helixtrans-67.8-20.8170.8-75172.4-176.1172.40113Q159 L160 Q161 F166Q159-K163 VanDerWaalsContact O-CG 3.25Å; Q159-K163 WeakPolarHBondContact O-CG 3.41Å; Q159-K163 PolarHBondContact O-N 3.46Å; L160-K163 WeakPolarHBondContact O-CB 3.35Å; L160-K163 PolarHBondContact O-N 3.38Å; Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 2.87Å; K163-F166 WeakPolarHBondContact O-CD1 3.45Å; K163-F166 WeakPolarHBondContact O-CE1 3.46Å
164C67.3Low70.3Confident46 Ų46113.9 Ų113.931%0.31160%0.602SS.*THydrogen-bonded Turntrans-100.98.5178.1-70.10000113.4L160 Q161 S162 F166 L167L160-C164 WeakPolarHBondContact O-CB 3.41Å; L160-C164 PolarHBondContact O-N 3.15Å; L160-C164 PolarHBondContact O-SG 3.4Å; L160-C164 VanDerWaalsContact O-SG 3.38Å; Q161-C164 CarbonylContact O-C 3.57Å; Q161-C164 VanDerWaalsContact O-C 3.3Å; Q161-C164 WeakPolarHBondContact O-CA 3.16Å; Q161-C164 WeakPolarHBondContact O-CB 3.42Å; Q161-C164 PolarHBondContact O-N 3.08Å; S162-C164 PolarHBondContact O-N 2.95Å; C164-F166 PolarHBondContact O-N 3.13Å; C164-F166 VanDerWaalsContact O-N 3.08Å; C164-L167 HydrophobicContact CB-CD1 4.24Å; C164-L167 WeakPolarHBondContact O-CB 3.44Å; C164-L167 PolarHBondContact O-N 2.74Å
165D64.4Low68.8Low89 Ų89112.5 Ų112.548%0.47661%0.611SS.*Hα-helixtrans-58.4-24.5178.5-74.9-20.9000112.7Q161 S162 L167 N168 S169Q161-D165 PolarHBondContact O-N 3.16Å; Q161-D165 VanDerWaalsContact O-N 3.08Å; S162-D165 WeakPolarHBondContact CA-OD2 3.41Å; S162-D165 WeakPolarHBondContact O-CB 3.33Å; S162-D165 PolarHBondContact O-N 3.33Å; D165-L167 PolarHBondContact O-N 3.15Å; D165-N168 PolarHBondContact O-N 3.33Å; D165-S169 PolarHBondContact O-N 2.91Å; D165-S169 VanDerWaalsContact O-N 3.12Å
166F60.4Low67.3Low141 Ų141112.5 Ų112.562%0.61862%0.618SS**Hα-helixtrans-65.4-16.3172.675-92.2000114.4K163 C164 S169K163-F166 WeakPolarHBondContact O-CD1 3.45Å; K163-F166 WeakPolarHBondContact O-CE1 3.46Å; C164-F166 PolarHBondContact O-N 3.13Å; C164-F166 VanDerWaalsContact O-N 3.08Å; F166-S169 PolarHBondContact O-OG 3.42Å
167L57.3Low65.9Low122 Ų122113.9 Ų113.964%0.63963%0.629SS**Hα-helixtrans-86.5-23.4172.3-63.3174.2000111.7C164 D165C164-L167 HydrophobicContact CB-CD1 4.24Å; C164-L167 WeakPolarHBondContact O-CB 3.44Å; C164-L167 PolarHBondContact O-N 2.74Å; D165-L167 PolarHBondContact O-N 3.15Å
168N56.5Low65.5Low109 Ų109110.6 Ų110.658%0.58362%0.615SS**Hα-helixtrans-92.9-9.6179.9-67.3-38.7000112.8D165 A170D165-N168 PolarHBondContact O-N 3.33Å; N168-A170 PolarHBondContact O-N 2.76Å
169S52.6Low65Low73 Ų73110.4 Ų110.451%0.5162%0.623SS.*  trans-66.583.7165.257.20000108.5D165 F166 E171D165-S169 PolarHBondContact O-N 2.91Å; D165-S169 VanDerWaalsContact O-N 3.12Å; F166-S169 PolarHBondContact O-OG 3.42Å; S169-E171 PolarHBondContact O-N 3.35Å
170A54.1Low64.4Low102 Ų102108.1 Ų108.184%0.84362%0.621SS**  trans-69.541.7168.400000111.2N168N168-A170 PolarHBondContact O-N 2.76Å
171E55.9Low64.2Low173 Ų173105.7 Ų105.781%0.80861%0.613SS**SBendtrans-103.5101.8168.8-76.1-173.2166.100107.9S169S169-E171 PolarHBondContact O-N 3.35Å
172E55.2Low64.4Low184 Ų184105.3 Ų105.386%0.8661%0.614SS**SBendtrans6665.6152.9-57.2-173.7164.100117.4
173N54.2Low64.7Low129 Ų129111.6 Ų111.669%0.6963%0.628SS**  trans-128.894.9148.2-127.1-33000109.9A175 A176N173-A175 PolarHBondContact O-N 3.22Å; N173-A176 PolarHBondContact O-N 3.38Å
174P54.5Low65.2Low138 Ų138110.3 Ų110.390%0.89663%0.628SS**THydrogen-bonded Turntrans-67.4-1.6-178.826.1-32.6000113.8
175A56.4Low66.2Low86 Ų86111 Ų11171%0.71164%0.636SS**THydrogen-bonded Turntrans-105.4-4.3-175.700000114.9N173 L177N173-A175 PolarHBondContact O-N 3.22Å; A175-L177 PolarHBondContact O-N 2.88Å
176A57.9Low67.3Low78 Ų78109.3 Ų109.365%0.64564%0.635SS**  trans-88.7110.7-179.200000111N173 S178N173-A176 PolarHBondContact O-N 3.38Å; A176-S178 PolarHBondContact O-N 2.71Å
177L58.9Low68.9Low144 Ų144104.2 Ų104.275%0.75462%0.623SS**  trans-58.8122.1172.4-67.3169.3000109.5A175A175-L177 PolarHBondContact O-N 2.88Å
178S76.8Confident70.7Confident46 Ų46103 Ų10332%0.32262%0.617SS.*  trans-65.4146.4177.471.30000110.6A176 S180 S181 L182A176-S178 PolarHBondContact O-N 2.71Å; S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 VanDerWaalsContact O-N 3.12Å; S178-S180 PolarHBondContact OG-OG 3.41Å; S178-S180 VanDerWaalsContact OG-OG 3.12Å; S178-S181 PolarHBondContact O-N 3.41Å; S178-S181 WeakPolarHBondContact OG-CB 3.48Å; S178-S181 PolarHBondContact OG-N 3.22Å; S178-S181 PolarHBondContact OG-OG 3.25Å; S178-L182 PolarHBondContact O-N 3.47Å
179P75.6Confident72.5Confident104 Ų104102.5 Ų102.568%0.67561%0.613SS**Hα-helixtrans-57.1-27.8177.9-27.134.5000114.1R183P179-R183 WeakPolarHBondContact O-CB 3.5Å; P179-R183 PolarHBondContact O-N 2.87Å; P179-R183 VanDerWaalsContact O-N 3.14Å
180S74.5Confident74.6Confident72 Ų72105.2 Ų105.250%0.50362%0.618SS.*Hα-helixtrans-73-41.7174.649.30000112.3S178 L182 R183 L184S178-S180 PolarHBondContact O-N 3.27Å; S178-S180 VanDerWaalsContact O-N 3.12Å; S178-S180 PolarHBondContact OG-OG 3.41Å; S178-S180 VanDerWaalsContact OG-OG 3.12Å; S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 3.48Å; S180-R183 PolarHBondContact O-N 3.46Å; S180-L184 WeakPolarHBondContact O-CG 3.26Å; S180-L184 PolarHBondContact O-N 2.86Å
181S78.8Confident76.6Confident60 Ų60106.7 Ų106.742%0.4261%0.607SS.*Hα-helixtrans-63.1-39.3173.9-66.80000111.8S178 L184 A185S178-S181 PolarHBondContact O-N 3.41Å; S178-S181 WeakPolarHBondContact OG-CB 3.48Å; S178-S181 PolarHBondContact OG-N 3.22Å; S178-S181 PolarHBondContact OG-OG 3.25Å; S181-L184 PolarHBondContact O-N 3.42Å; S181-A185 WeakPolarHBondContact O-CB 3.34Å; S181-A185 PolarHBondContact O-N 3.29Å
182L84.1Confident78.5Confident112 Ų112104.7 Ų104.759%0.58660%0.598SS**Hα-helixtrans-65-40.3175.7-171.4123.6000111.9S178 S180 A185 A186S178-L182 PolarHBondContact O-N 3.47Å; S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 3.48Å; L182-A185 PolarHBondContact O-N 3.38Å; L182-A186 WeakPolarHBondContact O-CB 3.36Å; L182-A186 PolarHBondContact O-N 2.57Å
183R83.9Confident80.4Confident193 Ų193101.5 Ų101.573%0.72858%0.584SS**Hα-helixtrans-64.8-40.4176.4-168.7179.7-59.31643112.2P179 S180 G187P179-R183 WeakPolarHBondContact O-CB 3.5Å; P179-R183 PolarHBondContact O-N 2.87Å; P179-R183 VanDerWaalsContact O-N 3.14Å; S180-R183 PolarHBondContact O-N 3.46Å; R183-G187 PolarHBondContact O-N 2.99Å
184L89.4Confident82.3Confident116 Ų116101.7 Ų101.761%0.60758%0.583SS**Hα-helixtrans-64.2-48.7175-73.6166.9000111S180 S181 A186 G187 D188S180-L184 WeakPolarHBondContact O-CG 3.26Å; S180-L184 PolarHBondContact O-N 2.86Å; S181-L184 PolarHBondContact O-N 3.42Å; L184-A186 VanDerWaalsContact C-N 3.31Å; L184-A186 PolarHBondContact O-N 3.46Å; L184-G187 PolarHBondContact O-N 3.45Å; L184-G187 VanDerWaalsContact O-N 3.13Å; L184-D188 PolarHBondContact O-N 3.2Å
185A89.4Confident84.3Confident59 Ų5998.6 Ų98.649%0.48856%0.562SS.*Hα-helixtrans-60.4-39.7177.600000112.7S181 L182 D188 L189S181-A185 WeakPolarHBondContact O-CB 3.34Å; S181-A185 PolarHBondContact O-N 3.29Å; L182-A185 PolarHBondContact O-N 3.38Å; A185-D188 PolarHBondContact O-N 3.11Å; A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 PolarHBondContact O-N 3.21Å
186A86.9Confident86.1Confident55 Ų55100.6 Ų100.646%0.45555%0.554SS.*Hα-helixtrans-65.3-40.1175.300000112.2L182 L184 Q190L182-A186 WeakPolarHBondContact O-CB 3.36Å; L182-A186 PolarHBondContact O-N 2.57Å; L184-A186 VanDerWaalsContact C-N 3.31Å; L184-A186 PolarHBondContact O-N 3.46Å; A186-Q190 WeakPolarHBondContact O-CB 3.26Å; A186-Q190 PolarHBondContact O-N 3.03Å
187G93.6Very high87.8Confident34 Ų3499.7 Ų99.735%0.35154%0.544SS..Hα-helixtrans-64.7-44.7174.800000112.7R183 L184 Q190 Q191R183-G187 PolarHBondContact O-N 2.99Å; L184-G187 PolarHBondContact O-N 3.45Å; L184-G187 VanDerWaalsContact O-N 3.13Å; G187-Q190 PolarHBondContact O-N 2.73Å; G187-Q191 PolarHBondContact O-N 3.01Å
188D95.6Very high89.5Confident97 Ų9798.8 Ų98.852%0.51954%0.535SS..Hα-helixtrans-62.3-44.8177.2-75.8-6.7000111.2L184 A185 Q190 Q191 Q192L184-D188 PolarHBondContact O-N 3.2Å; A185-D188 PolarHBondContact O-N 3.11Å; D188-Q190 VanDerWaalsContact C-N 3.34Å; D188-Q190 PolarHBondContact O-N 3.2Å; D188-Q191 PolarHBondContact O-N 3.39Å; D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.49Å
189L95Very high90.3Very high97 Ų97100.4 Ų100.451%0.50854%0.54SS..Hα-helixtrans-60.6-44.9176.2-178.265.7000111.2A185 Q191 Q192 M193A185-L189 WeakPolarHBondContact O-CB 3.41Å; A185-L189 PolarHBondContact O-N 3.21Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 2.92Å; L189-Q192 PolarHBondContact O-N 3.03Å; L189-M193 HydrophobicContact CD1-CG 4.39Å; L189-M193 HydrophobicContact CG-CG 4.47Å; L189-M193 HydrophobicContact CG-SD 4.19Å; L189-M193 WeakPolarHBondContact O-CB 3.27Å; L189-M193 VanDerWaalsContact O-CG 3.31Å; L189-M193 WeakPolarHBondContact O-CG 3.45Å; L189-M193 PolarHBondContact O-N 3.06Å
190Q95.4Very high91.1Very high131 Ų13199.4 Ų99.461%0.61252%0.523SS*.Hα-helixtrans-60-42.4176.9-177.2179.4-10.200111.4A186 G187 D188 M193 M194A186-Q190 WeakPolarHBondContact O-CB 3.26Å; A186-Q190 PolarHBondContact O-N 3.03Å; G187-Q190 PolarHBondContact O-N 2.73Å; D188-Q190 VanDerWaalsContact C-N 3.34Å; D188-Q190 PolarHBondContact O-N 3.2Å; Q190-M193 PolarHBondContact O-N 3.25Å; Q190-M194 WeakPolarHBondContact O-CB 3.39Å; Q190-M194 VanDerWaalsContact O-CG 3.25Å; Q190-M194 WeakPolarHBondContact O-CG 3.44Å; Q190-M194 PolarHBondContact O-N 3.47Å
191Q95.8Very high91.9Very high132 Ų13299.9 Ų99.962%0.61752%0.517SS*.Hα-helixtrans-66.1-41.7177.5-176.2174.6-11.400111.9G187 D188 L189 M194 T195G187-Q191 PolarHBondContact O-N 3.01Å; D188-Q191 PolarHBondContact O-N 3.39Å; L189-Q191 VanDerWaalsContact C-N 3.31Å; L189-Q191 PolarHBondContact O-N 2.92Å; Q191-M194 PolarHBondContact O-N 3.01Å; Q191-T195 WeakPolarHBondContact O-CB 3.32Å; Q191-T195 PolarHBondContact O-N 3.42Å; Q191-T195 PolarHBondContact O-OG1 3.38Å
192Q96.2Very high92.4Very high132 Ų132100.7 Ų100.762%0.61752%0.52SS*.Hα-helixtrans-62.2-46.3175.3-75.1-178.3-25.700111.5D188 L189 M194 T195 F196D188-Q192 WeakPolarHBondContact O-CG 3.43Å; D188-Q192 PolarHBondContact O-N 3.49Å; L189-Q192 PolarHBondContact O-N 3.03Å; Q192-M194 PolarHBondContact O-N 2.82Å; Q192-T195 PolarHBondContact O-N 2.76Å; Q192-F196 VanDerWaalsContact O-CB 3.31Å; Q192-F196 WeakPolarHBondContact O-CB 3.45Å; Q192-F196 PolarHBondContact O-N 2.89Å
193M94.9Very high92.5Very high116 Ų11699.7 Ų99.757%0.57152%0.515SS*.Hα-helixtrans-62.3-42.5177.8-73.2-176.968.700112.1L189 Q190 S197L189-M193 HydrophobicContact CD1-CG 4.39Å; L189-M193 HydrophobicContact CG-CG 4.47Å; L189-M193 HydrophobicContact CG-SD 4.19Å; L189-M193 WeakPolarHBondContact O-CB 3.27Å; L189-M193 VanDerWaalsContact O-CG 3.31Å; L189-M193 WeakPolarHBondContact O-CG 3.45Å; L189-M193 PolarHBondContact O-N 3.06Å; Q190-M193 PolarHBondContact O-N 3.25Å; M193-S197 VanDerWaalsContact O-CB 3.29Å; M193-S197 WeakPolarHBondContact O-CB 3.33Å; M193-S197 PolarHBondContact O-N 2.8Å; M193-S197 PolarHBondContact O-OG 3.47Å
194M95.5Very high92.5Very high134 Ų13494.2 Ų94.266%0.6650%0.5SS*.Hα-helixtrans-62.7-45.2175.8-77.4-77.2-73.400111.7Q190 Q191 Q192 S197 H198Q190-M194 WeakPolarHBondContact O-CB 3.39Å; Q190-M194 VanDerWaalsContact O-CG 3.25Å; Q190-M194 WeakPolarHBondContact O-CG 3.44Å; Q190-M194 PolarHBondContact O-N 3.47Å; Q191-M194 PolarHBondContact O-N 3.01Å; Q192-M194 PolarHBondContact O-N 2.82Å; M194-S197 PolarHBondContact O-N 3.2Å; M194-H198 PolarHBondContact O-N 3.04Å
195T95.5Very high92.4Very high73 Ų7394.5 Ų94.545%0.44849%0.493SS..Hα-helixtrans-65.9-45.6-179.9-52.80000111Q191 Q192 H198 L199Q191-T195 WeakPolarHBondContact O-CB 3.32Å; Q191-T195 PolarHBondContact O-N 3.42Å; Q191-T195 PolarHBondContact O-OG1 3.38Å; Q192-T195 PolarHBondContact O-N 2.76Å; T195-H198 PolarHBondContact O-N 2.88Å; T195-L199 HydrophobicContact CG2-CD1 4.22Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.25Å
196F95.3Very high92.1Very high127 Ų12795.8 Ų95.856%0.55750%0.495SS*.Hα-helixtrans-60.7-46.1175.6174.9-95.8000111.4Q192 H198 L199 Y200Q192-F196 VanDerWaalsContact O-CB 3.31Å; Q192-F196 WeakPolarHBondContact O-CB 3.45Å; Q192-F196 PolarHBondContact O-N 2.89Å; F196-H198 VanDerWaalsContact C-N 3.3Å; F196-H198 PolarHBondContact O-N 3.25Å; F196-L199 PolarHBondContact O-N 3.37Å; F196-Y200 VanDerWaalsContact O-CB 3.32Å; F196-Y200 WeakPolarHBondContact O-CB 3.38Å; F196-Y200 PolarHBondContact O-N 3.08Å
197S93.3Very high91.8Very high60 Ų60100.3 Ų100.342%0.4250%0.501SS..Hα-helixtrans-59.2-44.3179.1-59.40000110.8M193 M194 Y200 E201M193-S197 VanDerWaalsContact O-CB 3.29Å; M193-S197 WeakPolarHBondContact O-CB 3.33Å; M193-S197 PolarHBondContact O-N 2.8Å; M193-S197 PolarHBondContact O-OG 3.47Å; M194-S197 PolarHBondContact O-N 3.2Å; S197-Y200 PolarHBondContact O-N 2.86Å; S197-E201 WeakPolarHBondContact O-CB 3.39Å; S197-E201 WeakPolarHBondContact O-CG 3.38Å; S197-E201 PolarHBondContact O-N 2.96Å
198H94.1Very high91.1Very high124 Ų124102.8 Ų102.857%0.57451%0.512SS*.Hα-helixtrans-62.3-45.9176.2-176.8-74.9000112.7M194 T195 F196 Y200 E201 T202M194-H198 PolarHBondContact O-N 3.04Å; T195-H198 PolarHBondContact O-N 2.88Å; F196-H198 VanDerWaalsContact C-N 3.3Å; F196-H198 PolarHBondContact O-N 3.25Å; H198-Y200 VanDerWaalsContact C-N 3.32Å; H198-E201 PolarHBondContact O-N 2.87Å; H198-T202 PolarHBondContact CE1-OG1 2.96Å; H198-T202 VanDerWaalsContact CE1-OG1 3.28Å; H198-T202 PolarHBondContact ND1-OG1 3.48Å; H198-T202 WeakPolarHBondContact O-CB 3.25Å; H198-T202 PolarHBondContact O-N 3.35Å; H198-T202 PolarHBondContact O-OG1 3.47Å
199L94Very high90.2Very high81 Ų81102.5 Ų102.542%0.42452%0.518SS..Hα-helixtrans-64.3-38.4177-71.4172.7000111.9T195 F196 D203 L204T195-L199 HydrophobicContact CG2-CD1 4.22Å; T195-L199 WeakPolarHBondContact O-CG 3.44Å; T195-L199 PolarHBondContact O-N 3.25Å; F196-L199 PolarHBondContact O-N 3.37Å; L199-D203 WeakPolarHBondContact O-CB 3.38Å; L199-D203 PolarHBondContact O-N 3.05Å; L199-L204 PolarHBondContact O-N 2.91Å
200Y91.4Very high89.5Confident82 Ų82105.5 Ų105.532%0.32252%0.522SS..Iπ-helixtrans-61.2-52.3174.8176.7-97.2000110.5F196 S197 H198 T202 L204 R205 C208F196-Y200 VanDerWaalsContact O-CB 3.32Å; F196-Y200 WeakPolarHBondContact O-CB 3.38Å; F196-Y200 PolarHBondContact O-N 3.08Å; S197-Y200 PolarHBondContact O-N 2.86Å; H198-Y200 VanDerWaalsContact C-N 3.32Å; Y200-T202 PolarHBondContact O-N 3Å; Y200-L204 HydrophobicContact CD2-CB 4.1Å; Y200-L204 CarbonylContact O-C 3.51Å; Y200-L204 PolarHBondContact O-N 2.87Å; Y200-L204 VanDerWaalsContact O-N 3.15Å; Y200-R205 HydrophobicContact CE1-CB 4.28Å; Y200-R205 VanDerWaalsContact O-CB 3.24Å; Y200-R205 WeakPolarHBondContact O-CB 3.46Å; Y200-R205 PolarHBondContact O-N 2.84Å; Y200-C208 HydrophobicContact CE2-CB 4.33Å
201E91.3Very high88.5Confident82 Ų82107.4 Ų107.438%0.38353%0.531SS..Iπ-helixtrans-61.3-40.7-179.5-72.4-61.5134.700113.3S197 H198 R205S197-E201 WeakPolarHBondContact O-CB 3.39Å; S197-E201 WeakPolarHBondContact O-CG 3.38Å; S197-E201 PolarHBondContact O-N 2.96Å; H198-E201 PolarHBondContact O-N 2.87Å; E201-R205 VanDerWaalsContact CD-NE 3.34Å; E201-R205 IonicContact OE1-CZ 2.85Å; E201-R205 IonicContact OE1-NE 3.12Å; E201-R205 PolarHBondContact OE1-NE 2.92Å; E201-R205 VanDerWaalsContact OE1-NE 3.13Å; E201-R205 IonicContact OE1-NH2 3.72Å; E201-R205 PolarHBondContact OE1-NH2 3.23Å; E201-R205 IonicContact OE2-CZ 3.85Å; E201-R205 IonicContact OE2-NE 2.68Å; E201-R205 PolarHBondContact OE2-NE 3.04Å; E201-R205 IonicContact OE2-NH1 2.64Å; E201-R205 PolarHBondContact OE2-NH1 3.4Å; E201-R205 VanDerWaalsContact OE2-NH1 3.08Å; E201-R205 IonicContact OE2-NH2 3.88Å; E201-R205 PolarHBondContact OE2-NH2 3.34Å
202T88.8Confident87.4Confident78 Ų78106.1 Ų106.148%0.47953%0.534SS..Iπ-helixtrans-82.1-46.3-174-48.10000111.9H198 Y200H198-T202 PolarHBondContact CE1-OG1 2.96Å; H198-T202 VanDerWaalsContact CE1-OG1 3.28Å; H198-T202 PolarHBondContact ND1-OG1 3.48Å; H198-T202 WeakPolarHBondContact O-CB 3.25Å; H198-T202 PolarHBondContact O-N 3.35Å; H198-T202 PolarHBondContact O-OG1 3.47Å; Y200-T202 PolarHBondContact O-N 3Å
203D86.4Confident86.3Confident90 Ų90104.7 Ų104.748%0.48154%0.537SS..Iπ-helixtrans-114.6-36.1-164.1-60.3-32000113.3L199 Y207L199-D203 WeakPolarHBondContact O-CB 3.38Å; L199-D203 PolarHBondContact O-N 3.05Å; D203-Y207 WeakPolarHBondContact O-CD2 3.5Å; D203-Y207 WeakPolarHBondContact O-CE2 3.47Å
204L84.4Confident85Confident79 Ų79106.5 Ų106.541%0.41455%0.549SS..Iπ-helixtrans-98.9-29.4-169.9-58.9172.5000113.9L199 Y200 V206 Y207 C208L199-L204 PolarHBondContact O-N 2.91Å; Y200-L204 HydrophobicContact CD2-CB 4.1Å; Y200-L204 CarbonylContact O-C 3.51Å; Y200-L204 PolarHBondContact O-N 2.87Å; Y200-L204 VanDerWaalsContact O-N 3.15Å; L204-V206 PolarHBondContact O-N 3.08Å; L204-V206 VanDerWaalsContact O-N 3.15Å; L204-Y207 WeakPolarHBondContact O-CA 3.38Å; L204-Y207 PolarHBondContact O-N 3.12Å; L204-C208 PolarHBondContact O-N 2.9Å; L204-C208 PolarHBondContact O-SG 3.28Å
205R87.6Confident83.7Confident121 Ų121107.8 Ų107.846%0.45755%0.551SS.*Hα-helixtrans-54.1-40.3-175.2176.2-175.9-96-154.6-5.6111.7Y200 E201 Y207 C208 S209Y200-R205 HydrophobicContact CE1-CB 4.28Å; Y200-R205 VanDerWaalsContact O-CB 3.24Å; Y200-R205 WeakPolarHBondContact O-CB 3.46Å; Y200-R205 PolarHBondContact O-N 2.84Å; E201-R205 VanDerWaalsContact CD-NE 3.34Å; E201-R205 IonicContact OE1-CZ 2.85Å; E201-R205 IonicContact OE1-NE 3.12Å; E201-R205 PolarHBondContact OE1-NE 2.92Å; E201-R205 VanDerWaalsContact OE1-NE 3.13Å; E201-R205 IonicContact OE1-NH2 3.72Å; E201-R205 PolarHBondContact OE1-NH2 3.23Å; E201-R205 IonicContact OE2-CZ 3.85Å; E201-R205 IonicContact OE2-NE 2.68Å; E201-R205 PolarHBondContact OE2-NE 3.04Å; E201-R205 IonicContact OE2-NH1 2.64Å; E201-R205 PolarHBondContact OE2-NH1 3.4Å; E201-R205 VanDerWaalsContact OE2-NH1 3.08Å; E201-R205 IonicContact OE2-NH2 3.88Å; E201-R205 PolarHBondContact OE2-NH2 3.34Å; R205-Y207 PolarHBondContact O-N 3.21Å; R205-C208 PolarHBondContact O-N 2.93Å; R205-S209 PolarHBondContact O-N 3.35Å; R205-S209 PolarHBondContact O-OG 2.74Å
206V83.3Confident82.6Confident87 Ų87107.2 Ų107.253%0.52755%0.55SS.*Hα-helixtrans-66-26.5179.6-179.40000112.3L204 R210L204-V206 PolarHBondContact O-N 3.08Å; L204-V206 VanDerWaalsContact O-N 3.15Å; V206-R210 WeakPolarHBondContact O-CG 3.47Å
207Y80.1Confident81.4Confident149 Ų149105.1 Ų105.158%0.58456%0.556SS**Hα-helixtrans-87.5-37.4176.8-61.1-79.9000112D203 L204 R205 S209 R210D203-Y207 WeakPolarHBondContact O-CD2 3.5Å; D203-Y207 WeakPolarHBondContact O-CE2 3.47Å; L204-Y207 WeakPolarHBondContact O-CA 3.38Å; L204-Y207 PolarHBondContact O-N 3.12Å; R205-Y207 PolarHBondContact O-N 3.21Å; Y207-S209 PolarHBondContact O-N 3.45Å; Y207-R210 PolarHBondContact O-N 2.93Å
208C78.8Confident80.4Confident87 Ų87108.3 Ų108.359%0.58856%0.564SS**Hα-helixtrans-68.6-20.2178.6-62.90000113.6Y200 L204 R205Y200-C208 HydrophobicContact CE2-CB 4.33Å; L204-C208 PolarHBondContact O-N 2.9Å; L204-C208 PolarHBondContact O-SG 3.28Å; R205-C208 PolarHBondContact O-N 2.93Å
209S76.6Confident79.2Confident91 Ų91104.7 Ų104.764%0.63655%0.551SS**THydrogen-bonded Turntrans-99.76.9178.347.30000113.8R205 Y207R205-S209 PolarHBondContact O-N 3.35Å; R205-S209 PolarHBondContact O-OG 2.74Å; Y207-S209 PolarHBondContact O-N 3.45Å
210R80.1Confident78.5Confident159 Ų159105.6 Ų105.660%0.656%0.557SS**SBendtrans-75.3141.1173.1-74.5178.9-177.2-165.2-0.7110.5V206 Y207V206-R210 WeakPolarHBondContact O-CG 3.47Å; Y207-R210 PolarHBondContact O-N 2.93Å
211E74.9Confident78.2Confident171 Ų171106.6 Ų106.680%0.79957%0.567SS**PPolyproline II helixtrans-58.1138.1165.7-73.3-176165.700109.5
212P73.4Confident77.8Confident105 Ų105109.6 Ų109.668%0.68258%0.579SS**PPolyproline II helixtrans-52139.6175.6-23.931.9000110.5N214P212-N214 PolarHBondContact O-N 2.98Å
213P71.9Confident77.6Confident103 Ų103110.8 Ų110.867%0.66958%0.579SS**PPolyproline II helixtrans-59.5125.5175.224.1-31.4000109.1F215P213-F215 PolarHBondContact O-N 3.35Å
214N68.8Low77.9Confident154 Ų154113.8 Ų113.882%0.82458%0.584SS**PPolyproline II helixtrans-67.7119.6174.4-70.8-53000108.9P212P212-N214 PolarHBondContact O-N 2.98Å
215F67.8Low78.3Confident160 Ų160113.6 Ų113.670%0.70259%0.586SS**PPolyproline II helixtrans-68.1143.6177.4-67.5-74.6000110.7P213 T219P213-F215 PolarHBondContact O-N 3.35Å; F215-T219 HydrophobicContact CB-CG2 4.03Å; F215-T219 WeakPolarHBondContact CB-OG1 3.46Å; F215-T219 HydrophobicContact CD1-CG2 4.11Å; F215-T219 HydrophobicContact CG-CG2 4.12Å
216S72.6Confident78.6Confident62 Ų62114.4 Ų114.443%0.43459%0.594SS.*PPolyproline II helixtrans-73.6162.1176.690.60000110.2E218 T219S216-E218 PolarHBondContact O-N 3.01Å; S216-E218 WeakPolarHBondContact OG-CB 3.36Å; S216-E218 PolarHBondContact OG-N 2.94Å; S216-E218 PolarHBondContact OG-OE2 3.48Å; S216-T219 WeakPolarHBondContact O-CB 3.47Å; S216-T219 PolarHBondContact O-N 2.83Å; S216-T219 PolarHBondContact O-OG1 3.31Å
217A70.2Confident79.2Confident83 Ų83115.7 Ų115.769%0.68660%0.595SS**THydrogen-bonded Turntrans-57.2-13.1175.400000114.1T219A217-T219 VanDerWaalsContact C-N 3.32Å
218E71.5Confident80Confident126 Ų126114.6 Ų114.659%0.58960%0.595SS**Hα-helixtrans-73.6-24174.8-60.9166.6158.500111.9S216 D220 L221 F222S216-E218 PolarHBondContact O-N 3.01Å; S216-E218 WeakPolarHBondContact OG-CB 3.36Å; S216-E218 PolarHBondContact OG-N 2.94Å; S216-E218 PolarHBondContact OG-OE2 3.48Å; E218-D220 VanDerWaalsContact C-N 3.27Å; E218-D220 PolarHBondContact O-N 2.95Å; E218-L221 WeakPolarHBondContact O-CB 3.46Å; E218-L221 PolarHBondContact O-N 3.38Å; E218-F222 HydrophobicContact CB-CE2 4.45Å; E218-F222 WeakPolarHBondContact O-CD2 3.41Å; E218-F222 PolarHBondContact O-N 3.22Å
219T69.5Low80.9Confident49 Ų49115.3 Ų115.330%0.30159%0.592SS.*Hα-helixtrans-65-31.1177.2-53.50000112.3F215 S216 A217 L221 F222 Q223F215-T219 HydrophobicContact CB-CG2 4.03Å; F215-T219 WeakPolarHBondContact CB-OG1 3.46Å; F215-T219 HydrophobicContact CD1-CG2 4.11Å; F215-T219 HydrophobicContact CG-CG2 4.12Å; S216-T219 WeakPolarHBondContact O-CB 3.47Å; S216-T219 PolarHBondContact O-N 2.83Å; S216-T219 PolarHBondContact O-OG1 3.31Å; A217-T219 VanDerWaalsContact C-N 3.32Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 3.46Å; T219-F222 PolarHBondContact O-N 2.95Å; T219-Q223 PolarHBondContact O-N 3.45Å
220D79.3Confident81.8Confident100 Ų100116.5 Ų116.554%0.53559%0.591SS.*Hα-helixtrans-64.4-32.4172.8-65.8-27.8000112E218 R224E218-D220 VanDerWaalsContact C-N 3.27Å; E218-D220 PolarHBondContact O-N 2.95Å; D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.48Å; D220-R224 PolarHBondContact O-N 3.12Å
221L84.6Confident82.6Confident103 Ų103111 Ų11154%0.53958%0.58SS.*Hα-helixtrans-69.6-43.8174.3-62.9173.5000110.6E218 T219 R224 V225E218-L221 WeakPolarHBondContact O-CB 3.46Å; E218-L221 PolarHBondContact O-N 3.38Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 3.46Å; L221-R224 PolarHBondContact O-N 3.06Å; L221-V225 WeakPolarHBondContact O-CB 3.44Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 2.88Å
222F83.2Confident83.7Confident145 Ų145105.8 Ų105.864%0.63656%0.562SS**Hα-helixtrans-62.3-44176.1-72.4-74.8000111.9E218 T219 R224 V225 Q226E218-F222 HydrophobicContact CB-CE2 4.45Å; E218-F222 WeakPolarHBondContact O-CD2 3.41Å; E218-F222 PolarHBondContact O-N 3.22Å; T219-F222 PolarHBondContact O-N 2.95Å; F222-R224 VanDerWaalsContact C-N 3.34Å; F222-R224 PolarHBondContact O-N 3.35Å; F222-V225 PolarHBondContact O-N 3.2Å; F222-Q226 VanDerWaalsContact O-CB 3.32Å; F222-Q226 WeakPolarHBondContact O-CB 3.21Å; F222-Q226 PolarHBondContact O-N 3.3Å
223Q85.3Confident84.8Confident103 Ų103105.2 Ų105.248%0.48155%0.553SS.*Hα-helixtrans-63.2-41.8177.1-172.5175.82.600111.5T219 Q226 Q227T219-Q223 PolarHBondContact O-N 3.45Å; Q223-Q226 PolarHBondContact O-N 3.01Å; Q223-Q227 WeakPolarHBondContact O-CB 3.14Å; Q223-Q227 WeakPolarHBondContact O-CG 3.15Å; Q223-Q227 PolarHBondContact O-N 3.42Å
224R91.2Very high85.9Confident152 Ų152103.4 Ų103.457%0.57454%0.54SS*.Hα-helixtrans-63.7-45.7176-175178.6-62.2175.92.6112D220 L221 F222 Q226 Q227 Q228D220-R224 VanDerWaalsContact O-CB 3.26Å; D220-R224 WeakPolarHBondContact O-CB 3.48Å; D220-R224 PolarHBondContact O-N 3.12Å; L221-R224 PolarHBondContact O-N 3.06Å; F222-R224 VanDerWaalsContact C-N 3.34Å; F222-R224 PolarHBondContact O-N 3.35Å; R224-Q226 VanDerWaalsContact C-N 3.33Å; R224-Q226 PolarHBondContact O-N 3.47Å; R224-Q227 PolarHBondContact O-N 3.22Å; R224-Q228 WeakPolarHBondContact O-CG 3.41Å; R224-Q228 PolarHBondContact O-N 3.47Å
225V94Very high87.3Confident75 Ų75101.6 Ų101.646%0.45553%0.526SS..Hα-helixtrans-62.6-43177.4169.70000110.5L221 F222 Q227 Q228 L229L221-V225 WeakPolarHBondContact O-CB 3.44Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.33Å; L221-V225 PolarHBondContact O-N 2.88Å; F222-V225 PolarHBondContact O-N 3.2Å; V225-Q227 PolarHBondContact O-N 2.84Å; V225-Q228 PolarHBondContact O-N 3.37Å; V225-L229 HydrophobicContact CG1-CD1 3.93Å; V225-L229 HydrophobicContact CG1-CG 4.47Å; V225-L229 WeakPolarHBondContact O-CB 3.19Å; V225-L229 WeakPolarHBondContact O-CG 3.47Å; V225-L229 PolarHBondContact O-N 2.96Å
226Q94.3Very high88.7Confident138 Ų13898.5 Ų98.565%0.64552%0.517SS*.Hα-helixtrans-60.9-44.2176-176.9179.8-3.800111.7F222 Q223 R224 L229 L230F222-Q226 VanDerWaalsContact O-CB 3.32Å; F222-Q226 WeakPolarHBondContact O-CB 3.21Å; F222-Q226 PolarHBondContact O-N 3.3Å; Q223-Q226 PolarHBondContact O-N 3.01Å; R224-Q226 VanDerWaalsContact C-N 3.33Å; R224-Q226 PolarHBondContact O-N 3.47Å; Q226-L229 PolarHBondContact O-N 2.86Å; Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.37Å
227Q95.5Very high89.8Confident115 Ų115101.7 Ų101.754%0.53753%0.525SS..Hα-helixtrans-62.8-41.9175.8-76.9175.9-9.200112.1Q223 R224 V225 L230 A231Q223-Q227 WeakPolarHBondContact O-CB 3.14Å; Q223-Q227 WeakPolarHBondContact O-CG 3.15Å; Q223-Q227 PolarHBondContact O-N 3.42Å; R224-Q227 PolarHBondContact O-N 3.22Å; V225-Q227 PolarHBondContact O-N 2.84Å; Q227-L230 PolarHBondContact O-N 3.02Å; Q227-A231 WeakPolarHBondContact O-CB 3.41Å; Q227-A231 PolarHBondContact O-N 2.87Å
228Q96.6Very high91.1Very high126 Ų126102.7 Ų102.759%0.58952%0.517SS*.Hα-helixtrans-66.6-40.1177.7-74.2-178.1-57.600112.5R224 V225 L230 A231 C232R224-Q228 WeakPolarHBondContact O-CG 3.41Å; R224-Q228 PolarHBondContact O-N 3.47Å; V225-Q228 PolarHBondContact O-N 3.37Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-A231 PolarHBondContact O-N 2.93Å; Q228-C232 WeakPolarHBondContact O-CB 3.48Å; Q228-C232 PolarHBondContact O-N 3.11Å
229L97.3Very high92.2Very high101 Ų101102.4 Ų102.453%0.52952%0.515SS..Hα-helixtrans-64.1-40.9174.1-78167.5000111.5V225 Q226 C232 N233V225-L229 HydrophobicContact CG1-CD1 3.93Å; V225-L229 HydrophobicContact CG1-CG 4.47Å; V225-L229 WeakPolarHBondContact O-CB 3.19Å; V225-L229 WeakPolarHBondContact O-CG 3.47Å; V225-L229 PolarHBondContact O-N 2.96Å; Q226-L229 PolarHBondContact O-N 2.86Å; L229-C232 PolarHBondContact O-N 3.36Å; L229-N233 VanDerWaalsContact O-CG 3.3Å; L229-N233 PolarHBondContact O-N 3.21Å; L229-N233 PolarHBondContact O-ND2 3.5Å
230L96.9Very high93.5Very high117 Ų117106.4 Ų106.461%0.61353%0.528SS*.Hα-helixtrans-62.3-46.8176.3-165.777.4000111.1Q226 Q227 Q228 C232 N233 T234Q226-L230 WeakPolarHBondContact O-CB 3.31Å; Q226-L230 PolarHBondContact O-N 3.37Å; Q227-L230 PolarHBondContact O-N 3.02Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; L230-C232 PolarHBondContact O-N 3.35Å; L230-N233 PolarHBondContact O-N 3.48Å; L230-T234 WeakPolarHBondContact O-CG2 3.23Å; L230-T234 PolarHBondContact O-N 2.93Å; L230-T234 PolarHBondContact O-OG1 3.25Å
231A96.5Very high94.3Very high44 Ų44107.7 Ų107.736%0.36453%0.531SS..Hα-helixtrans-59.5-45176.500000111.9Q227 Q228 N233 T234 E235Q227-A231 WeakPolarHBondContact O-CB 3.41Å; Q227-A231 PolarHBondContact O-N 2.87Å; Q228-A231 PolarHBondContact O-N 2.93Å; A231-N233 PolarHBondContact O-N 3.46Å; A231-T234 WeakPolarHBondContact CA-OG1 3.39Å; A231-T234 PolarHBondContact O-N 3.42Å; A231-T234 PolarHBondContact O-OG1 3.38Å; A231-E235 WeakPolarHBondContact O-CG 3.26Å; A231-E235 PolarHBondContact O-N 2.92Å
232C97Very high94.8Very high61 Ų61108.3 Ų108.341%0.41253%0.534SS..Hα-helixtrans-59-45.3176.2-175.40000112Q228 L229 L230 T234 E235 L236Q228-C232 WeakPolarHBondContact O-CB 3.48Å; Q228-C232 PolarHBondContact O-N 3.11Å; L229-C232 PolarHBondContact O-N 3.36Å; L230-C232 PolarHBondContact O-N 3.35Å; C232-T234 VanDerWaalsContact C-N 3.33Å; C232-T234 PolarHBondContact O-N 3.14Å; C232-E235 PolarHBondContact O-N 3.24Å; C232-L236 WeakPolarHBondContact O-CG 3.41Å; C232-L236 PolarHBondContact O-N 3.45Å
233N96.5Very high95.4Very high92 Ų92105 Ų10549%0.49253%0.528SS..Hα-helixtrans-61.2-42.7177.4-72.3-20.7000111.9L229 L230 A231 E235 L236 E237L229-N233 VanDerWaalsContact O-CG 3.3Å; L229-N233 PolarHBondContact O-N 3.21Å; L229-N233 PolarHBondContact O-ND2 3.5Å; L230-N233 PolarHBondContact O-N 3.48Å; A231-N233 PolarHBondContact O-N 3.46Å; N233-E235 VanDerWaalsContact C-N 3.34Å; N233-E235 PolarHBondContact O-N 2.88Å; N233-L236 PolarHBondContact O-N 3.28Å; N233-E237 PolarHBondContact O-N 3Å
234T96.4Very high95.9Very high66 Ų66105.1 Ų105.141%0.40553%0.528SS..Hα-helixtrans-65.6-36.517755.20000112.5L230 A231 C232 E237 M238L230-T234 WeakPolarHBondContact O-CG2 3.23Å; L230-T234 PolarHBondContact O-N 2.93Å; L230-T234 PolarHBondContact O-OG1 3.25Å; A231-T234 WeakPolarHBondContact CA-OG1 3.39Å; A231-T234 PolarHBondContact O-N 3.42Å; A231-T234 PolarHBondContact O-OG1 3.38Å; C232-T234 VanDerWaalsContact C-N 3.33Å; C232-T234 PolarHBondContact O-N 3.14Å; T234-E237 PolarHBondContact O-N 2.95Å; T234-M238 WeakPolarHBondContact O-CG 3.4Å; T234-M238 PolarHBondContact O-N 3.48Å
235E96.8Very high96Very high115 Ų115100.5 Ų100.554%0.53752%0.523SS..Hα-helixtrans-66.6-38.8175-74.7179.4-17000112.1A231 C232 N233 M238 Q239A231-E235 WeakPolarHBondContact O-CG 3.26Å; A231-E235 PolarHBondContact O-N 2.92Å; C232-E235 PolarHBondContact O-N 3.24Å; N233-E235 VanDerWaalsContact C-N 3.34Å; N233-E235 PolarHBondContact O-N 2.88Å; E235-M238 HydrophobicContact CB-CE 4.46Å; E235-M238 HydrophobicContact CG-CE 4.02Å; E235-M238 PolarHBondContact O-N 2.86Å; E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.32Å
236L97.1Very high96.1Very high96 Ų96100.6 Ų100.650%0.50353%0.526SS..Hα-helixtrans-65.5-38.9175.5-70.8172.4000112.1C232 N233 Q239 K240C232-L236 WeakPolarHBondContact O-CG 3.41Å; C232-L236 PolarHBondContact O-N 3.45Å; N233-L236 PolarHBondContact O-N 3.28Å; L236-Q239 PolarHBondContact O-N 2.79Å; L236-K240 PolarHBondContact O-N 3.17Å
237E96.7Very high96.1Very high129 Ų129100.1 Ų100.160%0.60352%0.524SS*.Hα-helixtrans-63.4-47.1173.1-76.8-179.1170.500111.4N233 T234 Q239 K240 E241N233-E237 PolarHBondContact O-N 3Å; T234-E237 PolarHBondContact O-N 2.95Å; E237-Q239 VanDerWaalsContact C-N 3.32Å; E237-Q239 PolarHBondContact O-N 3.36Å; E237-K240 WeakPolarHBondContact O-CB 3.49Å; E237-K240 PolarHBondContact O-N 2.75Å; E237-K240 VanDerWaalsContact O-N 3.14Å; E237-E241 PolarHBondContact O-N 2.92Å
238M96.6Very high96Very high104 Ų10497.7 Ų97.751%0.51252%0.519SS..Hα-helixtrans-60.1-40.8175.6-72.4-170.9-65.100112.2T234 E235 K240 E241 I242T234-M238 WeakPolarHBondContact O-CG 3.4Å; T234-M238 PolarHBondContact O-N 3.48Å; E235-M238 HydrophobicContact CB-CE 4.46Å; E235-M238 HydrophobicContact CG-CE 4.02Å; E235-M238 PolarHBondContact O-N 2.86Å; M238-K240 VanDerWaalsContact C-N 3.32Å; M238-K240 PolarHBondContact O-N 3.13Å; M238-E241 PolarHBondContact O-N 3.38Å; M238-I242 VanDerWaalsContact O-CG1 3.27Å; M238-I242 WeakPolarHBondContact O-CG1 3.26Å; M238-I242 PolarHBondContact O-N 3.02Å
239Q95.5Very high95.9Very high120 Ų12095.7 Ų95.756%0.56152%0.515SS*.Hα-helixtrans-62.4-40.8175.8-81-172-4.200112.1E235 L236 E237 I242 C243E235-Q239 WeakPolarHBondContact O-CG 3.47Å; E235-Q239 PolarHBondContact O-N 3.32Å; L236-Q239 PolarHBondContact O-N 2.79Å; E237-Q239 VanDerWaalsContact C-N 3.32Å; E237-Q239 PolarHBondContact O-N 3.36Å; Q239-I242 PolarHBondContact O-N 3Å; Q239-C243 PolarHBondContact O-N 3.46Å; Q239-C243 PolarHBondContact O-SG 2.91Å
240K95.8Very high95.7Very high132 Ų13293.1 Ų93.157%0.57451%0.506SS*.Hα-helixtrans-60.2-47.8176.2-177.7-173.4167-167.40111L236 E237 M238 I242 C243 E244L236-K240 PolarHBondContact O-N 3.17Å; E237-K240 WeakPolarHBondContact O-CB 3.49Å; E237-K240 PolarHBondContact O-N 2.75Å; E237-K240 VanDerWaalsContact O-N 3.14Å; M238-K240 VanDerWaalsContact C-N 3.32Å; M238-K240 PolarHBondContact O-N 3.13Å; K240-I242 VanDerWaalsContact C-N 3.33Å; K240-I242 PolarHBondContact O-N 2.71Å; K240-C243 WeakPolarHBondContact O-CB 3.24Å; K240-C243 PolarHBondContact O-N 3.35Å; K240-E244 WeakPolarHBondContact CE-OE1 3.29Å; K240-E244 IonicContact NZ-OE1 3.71Å; K240-E244 WeakPolarHBondContact O-CG 3.39Å; K240-E244 PolarHBondContact O-N 3.43Å
241E96.1Very high95.5Very high128 Ų12894.3 Ų94.360%0.59851%0.508SS*.Hα-helixtrans-60.7-41.5177.8-69.3-179.117600112.2E237 M238 C243 E244 A245E237-E241 PolarHBondContact O-N 2.92Å; M238-E241 PolarHBondContact O-N 3.38Å; E241-C243 VanDerWaalsContact C-N 3.35Å; E241-C243 PolarHBondContact O-N 3.02Å; E241-E244 PolarHBondContact O-N 3.09Å; E241-A245 WeakPolarHBondContact O-CB 3.36Å; E241-A245 PolarHBondContact O-N 3.21Å
242I96.5Very high95.2Very high116 Ų11698 Ų9860%0.59552%0.518SS*.Hα-helixtrans-63.8-41176.7-69.3165.9000111.2M238 Q239 K240 A245 S246M238-I242 VanDerWaalsContact O-CG1 3.27Å; M238-I242 WeakPolarHBondContact O-CG1 3.26Å; M238-I242 PolarHBondContact O-N 3.02Å; Q239-I242 PolarHBondContact O-N 3Å; K240-I242 VanDerWaalsContact C-N 3.33Å; K240-I242 PolarHBondContact O-N 2.71Å; I242-A245 PolarHBondContact O-N 3.2Å; I242-S246 VanDerWaalsContact O-CB 3.3Å; I242-S246 WeakPolarHBondContact O-CB 3.43Å; I242-S246 PolarHBondContact O-N 3.44Å
243C94.6Very high94.8Very high75 Ų7598.2 Ų98.251%0.50752%0.518SS..Hα-helixtrans-62.7-47.7176.3-72.90000111.4Q239 K240 E241 A245 S246 E247Q239-C243 PolarHBondContact O-N 3.46Å; Q239-C243 PolarHBondContact O-SG 2.91Å; K240-C243 WeakPolarHBondContact O-CB 3.24Å; K240-C243 PolarHBondContact O-N 3.35Å; E241-C243 VanDerWaalsContact C-N 3.35Å; E241-C243 PolarHBondContact O-N 3.02Å; C243-A245 PolarHBondContact O-N 3.14Å; C243-S246 PolarHBondContact O-N 3.03Å; C243-E247 WeakPolarHBondContact O-CG 3.42Å; C243-E247 PolarHBondContact O-N 2.99Å
244E95.6Very high94.4Very high106 Ų10699.8 Ų99.850%0.49552%0.52SS..Hα-helixtrans-60.7-44.3177.1-70.8176.1-177.700111.5K240 E241 S246 E247 C248K240-E244 WeakPolarHBondContact CE-OE1 3.29Å; K240-E244 IonicContact NZ-OE1 3.71Å; K240-E244 WeakPolarHBondContact O-CG 3.39Å; K240-E244 PolarHBondContact O-N 3.43Å; E241-E244 PolarHBondContact O-N 3.09Å; E244-S246 PolarHBondContact O-N 3.24Å; E244-E247 PolarHBondContact O-N 3.42Å; E244-C248 WeakPolarHBondContact O-CB 3Å; E244-C248 PolarHBondContact O-N 2.8Å
245A94.6Very high93.8Very high55 Ų5598.4 Ų98.446%0.45552%0.519SS..Hα-helixtrans-62.7-41.2175.500000112.1E241 I242 C243 C248 V249E241-A245 WeakPolarHBondContact O-CB 3.36Å; E241-A245 PolarHBondContact O-N 3.21Å; I242-A245 PolarHBondContact O-N 3.2Å; C243-A245 PolarHBondContact O-N 3.14Å; A245-C248 PolarHBondContact O-N 3.28Å; A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.18Å; A245-V249 PolarHBondContact O-N 3.49Å
246S94.6Very high92.9Very high76 Ų7697.2 Ų97.253%0.53152%0.516SS..Hα-helixtrans-65.2-39.5177.3-177.80000112.2I242 C243 E244 S250I242-S246 VanDerWaalsContact O-CB 3.3Å; I242-S246 WeakPolarHBondContact O-CB 3.43Å; I242-S246 PolarHBondContact O-N 3.44Å; C243-S246 PolarHBondContact O-N 3.03Å; E244-S246 PolarHBondContact O-N 3.24Å; S246-S250 VanDerWaalsContact O-CB 3.24Å; S246-S250 WeakPolarHBondContact O-CB 3.27Å; S246-S250 PolarHBondContact O-N 3.04Å
247E94.7Very high91.9Very high129 Ų129100 Ų10060%0.60353%0.526SS*.Hα-helixtrans-63.3-47.5174.9-75.9-178.4177.700110.6C243 E244 V249 S250 E251C243-E247 WeakPolarHBondContact O-CG 3.42Å; C243-E247 PolarHBondContact O-N 2.99Å; E244-E247 PolarHBondContact O-N 3.42Å; E247-V249 PolarHBondContact O-N 3.25Å; E247-S250 WeakPolarHBondContact O-CB 3.46Å; E247-S250 PolarHBondContact O-N 2.9Å; E247-S250 VanDerWaalsContact O-N 3.17Å; E247-E251 WeakPolarHBondContact O-CG 3.41Å; E247-E251 PolarHBondContact O-N 2.87Å
248C93.9Very high91Very high64 Ų6499.3 Ų99.343%0.43253%0.531SS..Hα-helixtrans-56.6-49.6176.1-178.40000112.2E244 A245 S250 E251 E252E244-C248 WeakPolarHBondContact O-CB 3Å; E244-C248 PolarHBondContact O-N 2.8Å; A245-C248 PolarHBondContact O-N 3.28Å; C248-S250 VanDerWaalsContact C-N 3.32Å; C248-S250 PolarHBondContact O-N 2.95Å; C248-E251 PolarHBondContact O-N 3.29Å; C248-E252 PolarHBondContact O-N 2.8Å
249V94.4Very high90Very high83 Ų8398.4 Ų98.450%0.50353%0.525SS..Hα-helixtrans-62.3-40.6177.2171.70000111.3A245 E247 E251 E252 V253A245-V249 VanDerWaalsContact O-CG2 3.32Å; A245-V249 WeakPolarHBondContact O-CG2 3.18Å; A245-V249 PolarHBondContact O-N 3.49Å; E247-V249 PolarHBondContact O-N 3.25Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.29Å; V249-E252 PolarHBondContact O-N 3.47Å; V249-V253 HydrophobicContact CG1-CG2 4.34Å; V249-V253 WeakPolarHBondContact O-CB 3.04Å; V249-V253 VanDerWaalsContact O-CG2 3.24Å; V249-V253 WeakPolarHBondContact O-CG2 3.37Å; V249-V253 PolarHBondContact O-N 2.88Å
250S93.1Very high88.7Confident48 Ų4896.5 Ų96.534%0.33652%0.523SS..Hα-helixtrans-62.8-40.4176.2158.70000111.8S246 E247 C248 V253 K254S246-S250 VanDerWaalsContact O-CB 3.24Å; S246-S250 WeakPolarHBondContact O-CB 3.27Å; S246-S250 PolarHBondContact O-N 3.04Å; E247-S250 WeakPolarHBondContact O-CB 3.46Å; E247-S250 PolarHBondContact O-N 2.9Å; E247-S250 VanDerWaalsContact O-N 3.17Å; C248-S250 VanDerWaalsContact C-N 3.32Å; C248-S250 PolarHBondContact O-N 2.95Å; S250-V253 PolarHBondContact O-N 3.12Å; S250-K254 WeakPolarHBondContact O-CB 3.48Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.26Å; S250-K254 PolarHBondContact O-N 3.38Å
251E92.6Very high87.5Confident141 Ų14195.1 Ų95.166%0.65951%0.514SS*.Hα-helixtrans-64.7-45.5174.4-72.5-173.2164.900112.2E247 C248 V249 V253 K254 G255E247-E251 WeakPolarHBondContact O-CG 3.41Å; E247-E251 PolarHBondContact O-N 2.87Å; C248-E251 PolarHBondContact O-N 3.29Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.29Å; E251-V253 PolarHBondContact O-N 3.12Å; E251-K254 PolarHBondContact O-N 2.92Å; E251-G255 PolarHBondContact O-N 2.87Å
252E89.3Confident86.3Confident123 Ų12394 Ų9458%0.57551%0.506SS*.Hα-helixtrans-59.1-46.5174.6-74.1-172.616900111.4C248 V249 K254 G255 L256C248-E252 PolarHBondContact O-N 2.8Å; V249-E252 PolarHBondContact O-N 3.47Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.15Å; E252-G255 PolarHBondContact O-N 3.37Å; E252-L256 VanDerWaalsContact O-CB 3.32Å; E252-L256 WeakPolarHBondContact O-CB 3.39Å; E252-L256 VanDerWaalsContact O-CG 3.24Å; E252-L256 WeakPolarHBondContact O-CG 3.33Å; E252-L256 PolarHBondContact O-N 3.48Å
253V89.5Confident85.3Confident65 Ų6597.1 Ų97.139%0.39451%0.51SS..Hα-helixtrans-61.3-41.3177.5170.30000111.2V249 S250 E251 L256 Q257V249-V253 HydrophobicContact CG1-CG2 4.34Å; V249-V253 WeakPolarHBondContact O-CB 3.04Å; V249-V253 VanDerWaalsContact O-CG2 3.24Å; V249-V253 WeakPolarHBondContact O-CG2 3.37Å; V249-V253 PolarHBondContact O-N 2.88Å; S250-V253 PolarHBondContact O-N 3.12Å; E251-V253 PolarHBondContact O-N 3.12Å; V253-L256 PolarHBondContact O-N 3.48Å; V253-Q257 HydrophobicContact CG1-CG 4.47Å; V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 WeakPolarHBondContact O-CG 3.46Å; V253-Q257 PolarHBondContact O-N 3.27Å
254K87.5Confident84.3Confident125 Ų12594.7 Ų94.754%0.54349%0.494SS..Hα-helixtrans-63.8-44174.6-75.9172.4-174.4174.90111.6S250 E251 E252 L256 Q257 T258S250-K254 WeakPolarHBondContact O-CB 3.48Å; S250-K254 VanDerWaalsContact O-CG 3.28Å; S250-K254 WeakPolarHBondContact O-CG 3.26Å; S250-K254 PolarHBondContact O-N 3.38Å; E251-K254 PolarHBondContact O-N 2.92Å; E252-K254 VanDerWaalsContact C-N 3.33Å; E252-K254 PolarHBondContact O-N 3.15Å; K254-L256 VanDerWaalsContact C-N 3.32Å; K254-L256 PolarHBondContact O-N 2.77Å; K254-Q257 PolarHBondContact O-N 3.31Å; K254-T258 WeakPolarHBondContact O-CB 3.39Å; K254-T258 WeakPolarHBondContact O-CG2 3.29Å; K254-T258 PolarHBondContact O-N 3.42Å; K254-T258 PolarHBondContact O-OG1 2.89Å
255G83.6Confident83.2Confident37 Ų3798.4 Ų98.438%0.38150%0.503SS..Hα-helixtrans-57-47.3173.700000111.5E251 E252 Q257 T258 Q259E251-G255 PolarHBondContact O-N 2.87Å; E252-G255 PolarHBondContact O-N 3.37Å; G255-Q257 VanDerWaalsContact C-N 3.34Å; G255-Q257 PolarHBondContact O-N 2.82Å; G255-T258 PolarHBondContact O-N 2.84Å; G255-T258 PolarHBondContact O-OG1 3.49Å; G255-Q259 WeakPolarHBondContact O-CB 3.35Å; G255-Q259 PolarHBondContact O-N 3.04Å
256L79.4Confident82.3Confident90 Ų9099 Ų9947%0.47151%0.514SS..Hα-helixtrans-63.6-32.9178-75.8-179.6000114E252 V253 K254 R261E252-L256 VanDerWaalsContact O-CB 3.32Å; E252-L256 WeakPolarHBondContact O-CB 3.39Å; E252-L256 VanDerWaalsContact O-CG 3.24Å; E252-L256 WeakPolarHBondContact O-CG 3.33Å; E252-L256 PolarHBondContact O-N 3.48Å; V253-L256 PolarHBondContact O-N 3.48Å; K254-L256 VanDerWaalsContact C-N 3.32Å; K254-L256 PolarHBondContact O-N 2.77Å; L256-R261 PolarHBondContact O-NE 2.94Å; L256-R261 PolarHBondContact O-NH2 2.72Å
257Q75.2Confident81.5Confident154 Ų154101.7 Ų101.772%0.7252%0.519SS*.Hα-helixtrans-80.2-32.8176.8-77.1-178.14.700113.2V253 K254 G255V253-Q257 HydrophobicContact CG1-CG 4.47Å; V253-Q257 WeakPolarHBondContact O-CB 3.47Å; V253-Q257 WeakPolarHBondContact O-CG 3.46Å; V253-Q257 PolarHBondContact O-N 3.27Å; K254-Q257 PolarHBondContact O-N 3.31Å; G255-Q257 VanDerWaalsContact C-N 3.34Å; G255-Q257 PolarHBondContact O-N 2.82Å
258T77.9Confident80.7Confident114 Ų114101 Ų10170%0.69951%0.514SS*.Hα-helixtrans-83.8-21.7-178.349.40000113K254 G255K254-T258 WeakPolarHBondContact O-CB 3.39Å; K254-T258 WeakPolarHBondContact O-CG2 3.29Å; K254-T258 PolarHBondContact O-N 3.42Å; K254-T258 PolarHBondContact O-OG1 2.89Å; G255-T258 PolarHBondContact O-N 2.84Å; G255-T258 PolarHBondContact O-OG1 3.49Å
259Q74.8Confident79.8Confident86 Ų8699.7 Ų99.740%0.40250%0.501SS..SBendtrans-73.2126.5177.1-156176.935.200111G255 R261G255-Q259 WeakPolarHBondContact O-CB 3.35Å; G255-Q259 PolarHBondContact O-N 3.04Å; Q259-R261 PolarHBondContact O-N 2.9Å
260P68.2Low79.1Confident79 Ų7997 Ų9751%0.51349%0.485SS..  trans-66.2120.5177.224.6-30.8000110.1Y262P260-Y262 HydrophobicContact CB-CE2 4.1Å
261R72.3Confident78.2Confident103 Ų10399 Ų9939%0.38949%0.491SS..EExtended strand (participates in β ladder)trans-108.4137.7178.5-61.9-174-170-1610.7110.5L256 Q259 K268L256-R261 PolarHBondContact O-NE 2.94Å; L256-R261 PolarHBondContact O-NH2 2.72Å; Q259-R261 PolarHBondContact O-N 2.9Å; R261-K268 HydrophobicContact CB-CB 4.46Å; R261-K268 HydrophobicContact CB-CD 4.38Å
262Y71.1Confident77.6Confident106 Ų10695.9 Ų95.942%0.41648%0.483SS..EExtended strand (participates in β ladder)trans-115.1138.7-178.4-56.5-87.4000109.2P260 H269 L271P260-Y262 HydrophobicContact CB-CE2 4.1Å; Y262-H269 PolarHBondContact N-O 3.1Å; Y262-H269 PolarHBondContact O-N 3.06Å; Y262-L271 HydrophobicContact CD2-CB 4.46Å; Y262-L271 HydrophobicContact CE2-CB 4Å; Y262-L271 HydrophobicContact CE2-CD1 3.74Å; Y262-L271 HydrophobicContact CE2-CG 4.49Å
263W73.8Confident77.1Confident181 Ų18193.3 Ų93.369%0.68647%0.474SS*.EExtended strand (participates in β ladder)trans-86.3123178-72.6101.3000109.7K268W263-K268 HydrophobicContact CD2-CG 3.71Å; W263-K268 VanDerWaalsContact CE2-CE 3.44Å; W263-K268 HydrophobicContact CE3-CG 3.69Å; W263-K268 HydrophobicContact CH2-CD 4.2Å; W263-K268 HydrophobicContact CH2-CG 3.69Å; W263-K268 HydrophobicContact CZ2-CD 3.96Å; W263-K268 HydrophobicContact CZ2-CG 3.71Å; W263-K268 HydrophobicContact CZ3-CG 3.67Å
264S73.6Confident76.6Confident24 Ų2492.6 Ų92.617%0.16847%0.466CS..EExtended strand (participates in β ladder)trans-141.3143.5167.178.40000110.4G266 E267 H269 Q274S264-G266 PolarHBondContact O-N 2.99Å; S264-E267 PolarHBondContact N-O 2.7Å; S264-E267 PolarHBondContact O-N 3.39Å; S264-H269 PolarHBondContact O-NE2 2.73Å; S264-H269 PolarHBondContact OG-CD2 3.39Å; S264-H269 PolarHBondContact OG-NE2 2.9Å; S264-Q274 VanDerWaalsContact CB-NE2 3.32Å; S264-Q274 PolarHBondContact OG-NE2 2.9Å
265R73.1Confident76.3Confident183 Ų18391.2 Ų91.269%0.69146%0.464SS*.THydrogen-bonded Turntrans53.123.9176.5-61.8175.6175.9-89.88115.6E277R265-E277 IonicContact CZ-OE1 3.9Å; R265-E277 IonicContact NE-OE1 3.33Å; R265-E277 PolarHBondContact NE-OE1 2.89Å; R265-E277 IonicContact NH2-OE1 3.54Å
266G76.6Confident76.4Confident67 Ų6795.8 Ų95.869%0.69148%0.475SS*.THydrogen-bonded Turntrans88.8-2179.700000115S264S264-G266 PolarHBondContact O-N 2.99Å
267E78.1Confident76.7Confident134 Ų13494.2 Ų94.263%0.62647%0.466SS*.EExtended strand (participates in β ladder)trans-118.8158.1178-68.1179.9178.200111.2S264 H269S264-E267 PolarHBondContact N-O 2.7Å; S264-E267 PolarHBondContact O-N 3.39Å; E267-H269 PolarHBondContact O-CD2 2.93Å
268K76.1Confident77.1Confident115 Ų11591.2 Ų91.250%0.545%0.454SS..EExtended strand (participates in β ladder)trans-90.9119.7175.1-75.7-171.9-176.3177.80109R261 W263R261-K268 HydrophobicContact CB-CB 4.46Å; R261-K268 HydrophobicContact CB-CD 4.38Å; W263-K268 HydrophobicContact CD2-CG 3.71Å; W263-K268 VanDerWaalsContact CE2-CE 3.44Å; W263-K268 HydrophobicContact CE3-CG 3.69Å; W263-K268 HydrophobicContact CH2-CD 4.2Å; W263-K268 HydrophobicContact CH2-CG 3.69Å; W263-K268 HydrophobicContact CZ2-CD 3.96Å; W263-K268 HydrophobicContact CZ2-CG 3.71Å; W263-K268 HydrophobicContact CZ3-CG 3.67Å
269H76.2Confident77.6Confident36 Ų3689 Ų8917%0.16744%0.443CS..EExtended strand (participates in β ladder)trans-111.5152.8176.8-59.6-82.6000110.8Y262 S264 E267 D273 Q274Y262-H269 PolarHBondContact N-O 3.1Å; Y262-H269 PolarHBondContact O-N 3.06Å; S264-H269 PolarHBondContact O-NE2 2.73Å; S264-H269 PolarHBondContact OG-CD2 3.39Å; S264-H269 PolarHBondContact OG-NE2 2.9Å; E267-H269 PolarHBondContact O-CD2 2.93Å; H269-D273 HydrophobicContact CB-CB 4.25Å; H269-Q274 HydrophobicContact CB-CG 4.13Å
270T78.6Confident78.2Confident26 Ų2689.6 Ų89.616%0.1645%0.446CS..EExtended strand (participates in β ladder)trans-84.4161.1168.169.30000110P272 D273 Q274T270-P272 VanDerWaalsContact C-CD 3.5Å; T270-P272 VanDerWaalsContact C-N 3.35Å; T270-P272 WeakPolarHBondContact OG1-CD 3.26Å; T270-D273 WeakPolarHBondContact CB-OD2 3.46Å; T270-D273 PolarHBondContact N-OD2 3.39Å; T270-D273 PolarHBondContact O-N 3.44Å; T270-D273 PolarHBondContact OG1-OD1 3.25Å; T270-D273 PolarHBondContact OG1-OD2 3.07Å; T270-Q274 PolarHBondContact O-N 3.3Å
271L75Confident79.1Confident89 Ų8992.1 Ų92.147%0.46645%0.445SS..Hα-helixtrans-58.1-38.7178.9-167.6119.4000113.4Y262 Q274 L275Y262-L271 HydrophobicContact CD2-CB 4.46Å; Y262-L271 HydrophobicContact CE2-CB 4Å; Y262-L271 HydrophobicContact CE2-CD1 3.74Å; Y262-L271 HydrophobicContact CE2-CG 4.49Å; L271-Q274 PolarHBondContact O-N 3Å; L271-L275 HydrophobicContact CD2-CD1 3.76Å; L271-L275 HydrophobicContact CG-CD1 4.35Å; L271-L275 PolarHBondContact O-N 3.35Å
272P79.3Confident79.8Confident76 Ų7691.5 Ų91.549%0.49445%0.453SS..Hα-helixtrans-57.9-46.9171.2-26.135.2000113.6T270 Q274 L275 E276T270-P272 VanDerWaalsContact C-CD 3.5Å; T270-P272 VanDerWaalsContact C-N 3.35Å; T270-P272 WeakPolarHBondContact OG1-CD 3.26Å; P272-Q274 VanDerWaalsContact C-N 3.28Å; P272-Q274 PolarHBondContact O-N 3.46Å; P272-L275 WeakPolarHBondContact O-CB 3.07Å; P272-L275 PolarHBondContact O-N 2.8Å; P272-L275 VanDerWaalsContact O-N 3.1Å; P272-E276 PolarHBondContact O-N 3.43Å
273D80.1Confident80.6Confident69 Ų6991.9 Ų91.937%0.36946%0.458SS..Hα-helixtrans-60.5-39.3-179.2-48.2-34.1000111.5H269 T270 E276 E277H269-D273 HydrophobicContact CB-CB 4.25Å; T270-D273 WeakPolarHBondContact CB-OD2 3.46Å; T270-D273 PolarHBondContact N-OD2 3.39Å; T270-D273 PolarHBondContact O-N 3.44Å; T270-D273 PolarHBondContact OG1-OD1 3.25Å; T270-D273 PolarHBondContact OG1-OD2 3.07Å; D273-E276 PolarHBondContact O-N 2.94Å; D273-E277 PolarHBondContact O-N 3.22Å
274Q77.9Confident81.2Confident50 Ų5087.2 Ų87.223%0.23445%0.446CS..Hα-helixtrans-65-43.8175.3-70.6-88.7-65.300112S264 H269 T270 L271 P272 E276 E277 I278S264-Q274 VanDerWaalsContact CB-NE2 3.32Å; S264-Q274 PolarHBondContact OG-NE2 2.9Å; H269-Q274 HydrophobicContact CB-CG 4.13Å; T270-Q274 PolarHBondContact O-N 3.3Å; L271-Q274 PolarHBondContact O-N 3Å; P272-Q274 VanDerWaalsContact C-N 3.28Å; P272-Q274 PolarHBondContact O-N 3.46Å; Q274-E276 VanDerWaalsContact C-N 3.32Å; Q274-E277 PolarHBondContact O-N 3.22Å; Q274-I278 WeakPolarHBondContact O-CB 3.43Å; Q274-I278 VanDerWaalsContact O-CG1 3.24Å; Q274-I278 WeakPolarHBondContact O-CG1 3.38Å; Q274-I278 PolarHBondContact O-N 2.85Å
275L81.9Confident81.8Confident97 Ų9790.3 Ų90.351%0.50846%0.46SS..Hα-helixtrans-65.4-37178.3-91.7159.8000111.7L271 P272 S279L271-L275 HydrophobicContact CD2-CD1 3.76Å; L271-L275 HydrophobicContact CG-CD1 4.35Å; L271-L275 PolarHBondContact O-N 3.35Å; P272-L275 WeakPolarHBondContact O-CB 3.07Å; P272-L275 PolarHBondContact O-N 2.8Å; P272-L275 VanDerWaalsContact O-N 3.1Å; L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 2.98Å; L275-S279 PolarHBondContact O-N 2.81Å; L275-S279 PolarHBondContact O-OG 3.14Å
276E86.3Confident82.2Confident132 Ų13283.8 Ų83.862%0.61745%0.446SS*.Hα-helixtrans-68.6-45.1175.4-166.6167.5-140.900111.2P272 D273 Q274 I278 S279 Q280P272-E276 PolarHBondContact O-N 3.43Å; D273-E276 PolarHBondContact O-N 2.94Å; Q274-E276 VanDerWaalsContact C-N 3.32Å; E276-I278 VanDerWaalsContact C-N 3.33Å; E276-I278 PolarHBondContact O-N 3.21Å; E276-S279 PolarHBondContact O-N 2.85Å; E276-Q280 WeakPolarHBondContact O-CB 3.4Å; E276-Q280 PolarHBondContact O-N 3.25Å
277E84Confident82.3Confident57 Ų5784.4 Ų84.427%0.26644%0.439SS..Hα-helixtrans-58.8-44.1174.4-172.4-171167.400111.5R265 D273 Q274 R281R265-E277 IonicContact CZ-OE1 3.9Å; R265-E277 IonicContact NE-OE1 3.33Å; R265-E277 PolarHBondContact NE-OE1 2.89Å; R265-E277 IonicContact NH2-OE1 3.54Å; D273-E277 PolarHBondContact O-N 3.22Å; Q274-E277 PolarHBondContact O-N 3.22Å; E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 WeakPolarHBondContact O-CG 3.36Å; E277-R281 PolarHBondContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 3.71Å; E277-R281 IonicContact OE1-NE 3.53Å; E277-R281 IonicContact OE1-NH1 2.8Å
278I84.6Confident82.1Confident92 Ų9284.8 Ų84.847%0.47244%0.441SS..Hα-helixtrans-65.6-44.2177.9-68.9167.9000110.6Q274 E276 R281 V282Q274-I278 WeakPolarHBondContact O-CB 3.43Å; Q274-I278 VanDerWaalsContact O-CG1 3.24Å; Q274-I278 WeakPolarHBondContact O-CG1 3.38Å; Q274-I278 PolarHBondContact O-N 2.85Å; E276-I278 VanDerWaalsContact C-N 3.33Å; E276-I278 PolarHBondContact O-N 3.21Å; I278-R281 WeakPolarHBondContact O-CB 3.47Å; I278-R281 PolarHBondContact O-N 2.94Å; I278-V282 HydrophobicContact CG2-CG2 4.31Å; I278-V282 VanDerWaalsContact O-CG2 3.31Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.27Å
279S87.6Confident81.5Confident67 Ų6789.1 Ų89.147%0.46945%0.454SS..Hα-helixtrans-61.6-46.2178.7-61.20000111.1L275 E276 R281 V282 E283L275-S279 VanDerWaalsContact O-CB 3.28Å; L275-S279 WeakPolarHBondContact O-CB 2.98Å; L275-S279 PolarHBondContact O-N 2.81Å; L275-S279 PolarHBondContact O-OG 3.14Å; E276-S279 PolarHBondContact O-N 2.85Å; S279-R281 VanDerWaalsContact C-N 3.29Å; S279-R281 PolarHBondContact O-N 3.18Å; S279-V282 PolarHBondContact O-N 3.18Å; S279-V282 VanDerWaalsContact O-N 3.17Å; S279-E283 PolarHBondContact O-N 3.46Å
280Q87.8Confident80.6Confident99 Ų9995.5 Ų95.546%0.46348%0.484SS..Hα-helixtrans-61.3-38.7176.6-159.870.854.700111.8E276 N284E276-Q280 WeakPolarHBondContact O-CB 3.4Å; E276-Q280 PolarHBondContact O-N 3.25Å; Q280-N284 WeakPolarHBondContact O-CB 3.23Å; Q280-N284 PolarHBondContact O-N 3.43Å; Q280-N284 PolarHBondContact O-ND2 3.48Å
281R86.9Confident79.2Confident131 Ų131102.7 Ų102.749%0.49453%0.528SS..Hα-helixtrans-66-42.9174.8-83.1173.3154.6-160.9-15.9112.5E277 I278 S279 N284 I285E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 WeakPolarHBondContact O-CG 3.36Å; E277-R281 PolarHBondContact O-N 3.15Å; E277-R281 IonicContact OE1-CZ 3.71Å; E277-R281 IonicContact OE1-NE 3.53Å; E277-R281 IonicContact OE1-NH1 2.8Å; I278-R281 WeakPolarHBondContact O-CB 3.47Å; I278-R281 PolarHBondContact O-N 2.94Å; S279-R281 VanDerWaalsContact C-N 3.29Å; S279-R281 PolarHBondContact O-N 3.18Å; R281-N284 PolarHBondContact O-N 3.05Å; R281-I285 WeakPolarHBondContact O-CB 2.65Å; R281-I285 WeakPolarHBondContact O-CD1 3.24Å; R281-I285 WeakPolarHBondContact O-CG1 3.33Å; R281-I285 PolarHBondContact O-N 3.1Å
282V87.8Confident79.4Confident91 Ų91103.4 Ų103.455%0.55253%0.531SS*.Hα-helixtrans-64.5-43.2177.91700000110.4I278 S279 I285 A286I278-V282 HydrophobicContact CG2-CG2 4.31Å; I278-V282 VanDerWaalsContact O-CG2 3.31Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.27Å; S279-V282 PolarHBondContact O-N 3.18Å; S279-V282 VanDerWaalsContact O-N 3.17Å; V282-I285 PolarHBondContact O-N 3.16Å; V282-A286 VanDerWaalsContact O-CB 3.32Å; V282-A286 WeakPolarHBondContact O-CB 3.32Å; V282-A286 PolarHBondContact O-N 2.72Å
283E87.2Confident79.4Confident114 Ų114104.8 Ų104.853%0.53353%0.533SS..Hα-helixtrans-59.2-49.6173.2-80.1-172.7161.100111.7S279 I285 A286 S287S279-E283 PolarHBondContact O-N 3.46Å; E283-I285 VanDerWaalsContact C-N 3.31Å; E283-I285 PolarHBondContact O-N 3.48Å; E283-A286 WeakPolarHBondContact O-CB 3.31Å; E283-A286 PolarHBondContact O-N 3.3Å; E283-A286 VanDerWaalsContact O-N 3.12Å; E283-S287 PolarHBondContact O-N 2.79Å; E283-S287 PolarHBondContact O-OG 3.23Å; E283-S287 VanDerWaalsContact O-OG 3.05Å
284N86.6Confident79.3Confident82 Ų82106.8 Ų106.844%0.43954%0.542SS..Hα-helixtrans-60.1-39.6179.2-74.7-32.2000112.6Q280 R281 Q288Q280-N284 WeakPolarHBondContact O-CB 3.23Å; Q280-N284 PolarHBondContact O-N 3.43Å; Q280-N284 PolarHBondContact O-ND2 3.48Å; R281-N284 PolarHBondContact O-N 3.05Å; N284-Q288 WeakPolarHBondContact O-CG 3.38Å; N284-Q288 PolarHBondContact O-N 2.91Å; N284-Q288 VanDerWaalsContact O-N 3.12Å
285I87.1Confident79.4Confident90 Ų90110.1 Ų110.146%0.46256%0.56SS.*Hα-helixtrans-69.9-38.5176.4-67.5164.5000110.9R281 V282 E283 Q288 R289R281-I285 WeakPolarHBondContact O-CB 2.65Å; R281-I285 WeakPolarHBondContact O-CD1 3.24Å; R281-I285 WeakPolarHBondContact O-CG1 3.33Å; R281-I285 PolarHBondContact O-N 3.1Å; V282-I285 PolarHBondContact O-N 3.16Å; E283-I285 VanDerWaalsContact C-N 3.31Å; E283-I285 PolarHBondContact O-N 3.48Å; I285-Q288 PolarHBondContact O-N 2.68Å; I285-R289 PolarHBondContact O-N 3.2Å
286A80.5Confident79.3Confident46 Ų46110.9 Ų110.938%0.3856%0.563SS.*Hα-helixtrans-64.4-42.2175.300000111.2V282 E283 Q288 R289 H290V282-A286 VanDerWaalsContact O-CB 3.32Å; V282-A286 WeakPolarHBondContact O-CB 3.32Å; V282-A286 PolarHBondContact O-N 2.72Å; E283-A286 WeakPolarHBondContact O-CB 3.31Å; E283-A286 PolarHBondContact O-N 3.3Å; E283-A286 VanDerWaalsContact O-N 3.12Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 3.1Å; A286-R289 PolarHBondContact O-N 2.71Å; A286-H290 PolarHBondContact O-CD2 3.33Å
287S79.1Confident78.8Confident80 Ų80109.5 Ų109.556%0.55956%0.56SS**Hα-helixtrans-62.5-35.3175.2-590000113E283 R289E283-S287 PolarHBondContact O-N 2.79Å; E283-S287 PolarHBondContact O-OG 3.23Å; E283-S287 VanDerWaalsContact O-OG 3.05Å; S287-R289 VanDerWaalsContact C-N 3.32Å; S287-R289 PolarHBondContact O-N 3.12Å
288Q73.4Confident78.4Confident142 Ų142113.3 Ų113.366%0.66458%0.581SS**Hα-helixtrans-74.5-16.8177-74.1175.64.200114.3N284 I285 A286 T291N284-Q288 WeakPolarHBondContact O-CG 3.38Å; N284-Q288 PolarHBondContact O-N 2.91Å; N284-Q288 VanDerWaalsContact O-N 3.12Å; I285-Q288 PolarHBondContact O-N 2.68Å; A286-Q288 VanDerWaalsContact C-N 3.32Å; A286-Q288 PolarHBondContact O-N 3.1Å; Q288-T291 PolarHBondContact O-OG1 2.98Å
289R64.1Low78Confident206 Ų206114.9 Ų114.978%0.77759%0.589SS**THydrogen-bonded Turntrans-90-4.9177.1-75.2-174.6172.8-173.4-0.7113.8I285 A286 S287I285-R289 PolarHBondContact O-N 3.2Å; A286-R289 PolarHBondContact O-N 2.71Å; S287-R289 VanDerWaalsContact C-N 3.32Å; S287-R289 PolarHBondContact O-N 3.12Å
290H57.1Low77.2Confident170 Ų170118.9 Ų118.979%0.78760%0.599SS**  trans-103.311.7178-71.8-57000113.8A286A286-H290 PolarHBondContact O-CD2 3.33Å
291T48.5Very low76.2Confident176 Ų176120.7 Ų120.7100%1.0861%0.611SS**  trans-1130166.545.90000110.1Q288Q288-T291 PolarHBondContact O-OG1 2.98Å

Retrieved 291 of 291 residues in 493.3 ms (Link to these results)