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11-beta-hydroxysteroid dehydrogenase 1

Controls the reversible conversion of biologically active glucocorticoids such as cortisone to cortisol, and 11-dehydrocorticosterone to corticosterone in the presence of NADP(H)1,2,3,4,5,6,7,8,9,10. Participates in the corticosteroid receptor-mediated anti-inflammatory response, as well as metabolic and homeostatic processes11,12,13,14. Plays a role in the secretion of aqueous humor in the eye, maintaining a normotensive, intraocular environment15. Bidirectional in vitro, predominantly functions as a reductase in vivo, thereby increasing the concentration of active glucocorticoids16,17,18,19. It has broad substrate specificity, besides glucocorticoids, it accepts other steroid and sterol substrates20,21,22,23,24. Interconverts 7-oxo- and 7-hydroxy-neurosteroids such as 7-oxopregnenolone and 7beta-hydroxypregnenolone, 7-oxodehydroepiandrosterone (3beta-hydroxy-5-androstene-7,17-dione) and 7beta-hydroxydehydroepiandrosterone (3beta,7beta-dihydroxyandrost-5-en-17-one), among others25. Catalyzes the stereo-specific conversion of the major dietary oxysterol, 7-ketocholesterol (7-oxocholesterol), into the more polar 7-beta-hydroxycholesterol metabolite26,27. 7-oxocholesterol is one of the most important oxysterols, it participates in several events such as induction of apoptosis, accumulation in atherosclerotic lesions, lipid peroxidation, and induction of foam cell formation28. Mediates the 7-oxo reduction of 7-oxolithocholate mainly to chenodeoxycholate, and to a lesser extent to ursodeoxycholate, both in its free form and when conjugated to glycine or taurine, providing a link between glucocorticoid activation and bile acid metabolism29. Catalyzes the synthesis of 7-beta-25-dihydroxycholesterol from 7-oxo-25-hydroxycholesterol in vitro, which acts as a ligand for the G protein-coupled receptor (GPCR) Epstein-Barr virus-induced gene 2 (EBI2) and may thereby regulate immune cell migration30.

AlphaFold DB , UniProt , Accession P28845, Species HUMAN (Homo sapiens, Human), Gene HSD11B1, Length 292 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
1M59.7Low70.5Confident216 Ų216129 Ų129100%1.06464%0.644SS**  0-29.70-77.5179.7-170.400114.8
2A63.3Low71.8Confident83 Ų83126.9 Ų126.969%0.68664%0.636SS**Hα-helixtrans-67.1-34.1179.200000114.4K5 K6A2-K5 PolarHBondContact O-N 3.08Å; A2-K6 WeakPolarHBondContact O-CB 3.3Å; A2-K6 PolarHBondContact O-N 3.41Å; A2-K6 VanDerWaalsContact O-N 3.11Å
3F61.6Low72.7Confident151 Ų151120.5 Ų120.566%0.66262%0.621SS**Hα-helixtrans-65-43.4-179.2-162.3-92.3000112.7K5 K6 Y7F3-K5 PolarHBondContact O-N 3.31Å; F3-K6 PolarHBondContact O-N 3.44Å; F3-Y7 AromaticContact CD1-CD2 3.95Å; F3-Y7 HydrophobicContact CD1-CD2 3.95Å; F3-Y7 AromaticContact CD2-CD2 3.61Å; F3-Y7 HydrophobicContact CD2-CD2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.42Å; F3-Y7 HydrophobicContact CD2-CE2 3.42Å; F3-Y7 VanDerWaalsContact CD2-CE2 3.42Å; F3-Y7 AromaticContact CE1-CD2 3.91Å; F3-Y7 HydrophobicContact CE1-CD2 3.91Å; F3-Y7 AromaticContact CE2-CD2 3.56Å; F3-Y7 HydrophobicContact CE2-CD2 3.56Å; F3-Y7 AromaticContact CE2-CE2 3.32Å; F3-Y7 HydrophobicContact CE2-CE2 3.32Å; F3-Y7 AromaticContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CE2 4.08Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 AromaticContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CG 4.44Å; F3-Y7 WeakPolarHBondContact O-CD2 3.4Å; F3-Y7 PolarHBondContact O-N 2.97Å; F3-Y7 VanDerWaalsContact O-N 3.13Å
4M60.8Low73.6Confident130 Ų130120.9 Ų120.964%0.6462%0.624SS**Iπ-helixtrans-61.5-44.8177.2-82.2179.568.300112.3K6 L8M4-K6 PolarHBondContact O-N 3.37Å; M4-L8 HydrophobicContact CE-CD2 4.47Å; M4-L8 WeakPolarHBondContact O-CA 3.42Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.19Å
5K60.3Low74.3Confident175 Ų175121.5 Ų121.576%0.76162%0.62SS**Iπ-helixtrans-69.4-34.4178.3-83.2-173.9175-1770113.1A2 F3A2-K5 PolarHBondContact O-N 3.08Å; F3-K5 PolarHBondContact O-N 3.31Å
6K72Confident74.6Confident153 Ų153121.3 Ų121.367%0.66562%0.618SS**Iπ-helixtrans-77.9-30.2-173.8-154.6175.4-173.7-177.80113.5A2 F3 M4 P10A2-K6 WeakPolarHBondContact O-CB 3.3Å; A2-K6 PolarHBondContact O-N 3.41Å; A2-K6 VanDerWaalsContact O-N 3.11Å; F3-K6 PolarHBondContact O-N 3.44Å; M4-K6 PolarHBondContact O-N 3.37Å; K6-P10 WeakPolarHBondContact O-CG 3.34Å
7Y79.3Confident74.7Confident110 Ų110116.6 Ų116.643%0.43160%0.602SS.*Iπ-helixtrans-114.2-31.2-176.7-58.7-75000114F3 P10 I11F3-Y7 AromaticContact CD1-CD2 3.95Å; F3-Y7 HydrophobicContact CD1-CD2 3.95Å; F3-Y7 AromaticContact CD2-CD2 3.61Å; F3-Y7 HydrophobicContact CD2-CD2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.42Å; F3-Y7 HydrophobicContact CD2-CE2 3.42Å; F3-Y7 VanDerWaalsContact CD2-CE2 3.42Å; F3-Y7 AromaticContact CE1-CD2 3.91Å; F3-Y7 HydrophobicContact CE1-CD2 3.91Å; F3-Y7 AromaticContact CE2-CD2 3.56Å; F3-Y7 HydrophobicContact CE2-CD2 3.56Å; F3-Y7 AromaticContact CE2-CE2 3.32Å; F3-Y7 HydrophobicContact CE2-CE2 3.32Å; F3-Y7 AromaticContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CE2 4.08Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 AromaticContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CG 4.44Å; F3-Y7 WeakPolarHBondContact O-CD2 3.4Å; F3-Y7 PolarHBondContact O-N 2.97Å; F3-Y7 VanDerWaalsContact O-N 3.13Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; Y7-P10 WeakPolarHBondContact O-CG 3.45Å; Y7-I11 WeakPolarHBondContact O-CB 3.43Å; Y7-I11 VanDerWaalsContact O-CD1 3.31Å; Y7-I11 WeakPolarHBondContact O-CD1 3.44Å; Y7-I11 WeakPolarHBondContact O-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 3.27Å
8L76.8Confident74.8Confident101 Ų101119.2 Ų119.253%0.52960%0.604SS.*Iπ-helixtrans-69.5-40.2-175.9-160.383.6000112.5M4 I11 L12M4-L8 HydrophobicContact CE-CD2 4.47Å; M4-L8 WeakPolarHBondContact O-CA 3.42Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.19Å; L8-I11 PolarHBondContact O-N 3.48Å; L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 3.45Å
9L76.5Confident74.6Confident127 Ų127120.5 Ų120.567%0.66560%0.602SS**Hα-helixtrans-63-49.9177.4-111.499.7000113.2L12 G13L9-L12 PolarHBondContact O-N 3.25Å; L9-G13 PolarHBondContact O-N 3.16Å
10P81.4Confident74Confident68 Ų68121.8 Ų121.844%0.44260%0.6SS.*Hα-helixtrans-68.3-33.5177.122.3-30.7000112.6K6 Y7 G13 L14K6-P10 WeakPolarHBondContact O-CG 3.34Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; Y7-P10 WeakPolarHBondContact O-CG 3.45Å; P10-G13 PolarHBondContact O-N 3.47Å; P10-L14 WeakPolarHBondContact O-CB 3.18Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.46Å
11I83.9Confident73.4Confident105 Ų105125 Ų12554%0.53861%0.607SS.*Hα-helixtrans-65.6-43.6173.4-68.7167.3000110.7Y7 L8 G13 L14 F15Y7-I11 WeakPolarHBondContact O-CB 3.43Å; Y7-I11 VanDerWaalsContact O-CD1 3.31Å; Y7-I11 WeakPolarHBondContact O-CD1 3.44Å; Y7-I11 WeakPolarHBondContact O-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 3.27Å; L8-I11 PolarHBondContact O-N 3.48Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-L14 PolarHBondContact O-N 3.28Å; I11-F15 VanDerWaalsContact O-CB 3.31Å; I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.13Å
12L85.4Confident73.4Confident104 Ų104118 Ų11855%0.54558%0.579SS.*Hα-helixtrans-64.4-39.6175-173.668.5000111.2L8 L9 F15 M16L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-F15 PolarHBondContact O-N 3.21Å; L12-M16 HydrophobicContact CG-CG 4.44Å; L12-M16 VanDerWaalsContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 3.49Å
13G84.5Confident73.1Confident43 Ų43116.7 Ų116.744%0.44357%0.568SS.*Hα-helixtrans-62.3-44173.700000112.7L9 P10 I11 M16 A17L9-G13 PolarHBondContact O-N 3.16Å; P10-G13 PolarHBondContact O-N 3.47Å; I11-G13 VanDerWaalsContact C-N 3.34Å; G13-M16 PolarHBondContact O-N 2.64Å; G13-A17 VanDerWaalsContact O-CB 3.25Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.93Å
14L85Confident73Confident126 Ų126114 Ų11466%0.6656%0.561SS**Hα-helixtrans-66.7-38.8174.4-77.5168000112.1P10 I11 A17 Y18P10-L14 WeakPolarHBondContact O-CB 3.18Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.47Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 PolarHBondContact O-N 2.89Å
15F83.4Confident73.4Confident130 Ų130114.6 Ų114.657%0.5756%0.562SS**Hα-helixtrans-69.2-41176.8-166.7-92.3000111.3I11 L12 Y18 Y19I11-F15 VanDerWaalsContact O-CB 3.31Å; I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.13Å; L12-F15 PolarHBondContact O-N 3.21Å; F15-Y18 PolarHBondContact O-N 2.97Å; F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.38Å
16M79.3Confident74.5Confident119 Ų119113.7 Ų113.759%0.58656%0.561SS**Hα-helixtrans-65.5-40.7173.2-74.5-68-73.400111.5L12 G13 Y20L12-M16 HydrophobicContact CG-CG 4.44Å; L12-M16 VanDerWaalsContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 3.49Å; G13-M16 PolarHBondContact O-N 2.64Å; M16-Y20 WeakPolarHBondContact O-CB 3.01Å; M16-Y20 PolarHBondContact O-N 3.22Å
17A76Confident75.6Confident42 Ų42108 Ų10835%0.34754%0.536SS..Hα-helixtrans-65.4-47.5173.900000111G13 L14 Y19 Y20 Y21G13-A17 VanDerWaalsContact O-CB 3.25Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.47Å; A17-Y19 PolarHBondContact O-N 3.37Å; A17-Y20 PolarHBondContact O-N 2.67Å; A17-Y21 WeakPolarHBondContact O-CB 3.36Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.48Å; A17-Y21 PolarHBondContact O-N 3.08Å
18Y77.7Confident76.3Confident163 Ų163109.3 Ų109.364%0.63954%0.54SS*.Hα-helixtrans-59.9-46.6176177.5-99.4000111.1L14 F15 Y21 S22L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 PolarHBondContact O-N 2.89Å; F15-Y18 PolarHBondContact O-N 2.97Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y18-S22 WeakPolarHBondContact O-CA 3.39Å; Y18-S22 WeakPolarHBondContact O-CB 3.18Å; Y18-S22 PolarHBondContact O-N 3.01Å; Y18-S22 PolarHBondContact O-OG 3.47Å
19Y71.4Confident77.3Confident144 Ų144107.6 Ų107.657%0.56554%0.535SS*.Hα-helixtrans-61.1-44.4175.3-173.3-93.9000111.3F15 A17 Y21 S22 A23F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.38Å; A17-Y19 PolarHBondContact O-N 3.37Å; Y19-Y21 PolarHBondContact O-N 2.94Å; Y19-S22 WeakPolarHBondContact CA-OG 3.17Å; Y19-S22 PolarHBondContact O-N 3.34Å; Y19-S22 PolarHBondContact O-OG 3.09Å; Y19-A23 HydrophobicContact CD1-CB 4.4Å; Y19-A23 HydrophobicContact CE1-CB 4.2Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.43Å
20Y62.6Low78.2Confident145 Ų145107.2 Ų107.257%0.56953%0.53SS*.Hα-helixtrans-62.7-40.6176.4-174.4-94.7000112.8M16 A17 N24M16-Y20 WeakPolarHBondContact O-CB 3.01Å; M16-Y20 PolarHBondContact O-N 3.22Å; A17-Y20 PolarHBondContact O-N 2.67Å; Y20-N24 PolarHBondContact O-ND2 3.49Å
21Y61.5Low79Confident191 Ų191106.2 Ų106.275%0.74952%0.52SS*.Hα-helixtrans-78.5-30.8178.5-87.2-79.6000113.3A17 Y18 Y19A17-Y21 WeakPolarHBondContact O-CB 3.36Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.48Å; A17-Y21 PolarHBondContact O-N 3.08Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y19-Y21 PolarHBondContact O-N 2.94Å
22S58.4Low79.7Confident67 Ų67101.3 Ų101.347%0.46950%0.495SS..Hα-helixtrans-88.6-26.9-178.960.60000113.8Y18 Y19Y18-S22 WeakPolarHBondContact O-CA 3.39Å; Y18-S22 WeakPolarHBondContact O-CB 3.18Å; Y18-S22 PolarHBondContact O-N 3.01Å; Y18-S22 PolarHBondContact O-OG 3.47Å; Y19-S22 WeakPolarHBondContact CA-OG 3.17Å; Y19-S22 PolarHBondContact O-N 3.34Å; Y19-S22 PolarHBondContact O-OG 3.09Å
23A56.4Low80.3Confident56 Ų56102.8 Ų102.846%0.46350%0.499SS..Hα-helixtrans-86.3-14.7-179.600000113.4Y19 E25Y19-A23 HydrophobicContact CD1-CB 4.4Å; Y19-A23 HydrophobicContact CE1-CB 4.2Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.43Å; A23-E25 PolarHBondContact O-N 2.92Å
24N59.8Low81Confident95 Ų95102.3 Ų102.351%0.50850%0.495SS..SBendtrans-79.3105.9175.1-77.6-23.7000108.9Y20 E26Y20-N24 PolarHBondContact O-ND2 3.49Å; N24-E26 PolarHBondContact O-N 2.76Å
25E69Low81.6Confident142 Ų142100 Ų10066%0.66448%0.479SS*.PPolyproline II helixtrans-54.1117.9167.2-74.4-166.8171.300109A23 L251A23-E25 PolarHBondContact O-N 2.92Å; E25-L251 HydrophobicContact CB-CD2 3.91Å; E25-L251 VanDerWaalsContact O-CD2 3.24Å; E25-L251 WeakPolarHBondContact O-CD2 3.43Å
26E84.3Confident82.4Confident157 Ų15796.6 Ų96.673%0.73446%0.464SS*.PPolyproline II helixtrans-75.8130.9175.2-167.1172.3-164.400109N24 R28 M31N24-E26 PolarHBondContact O-N 2.76Å; E26-R28 PolarHBondContact O-N 2.86Å; E26-R28 PolarHBondContact O-NH1 2.86Å; E26-M31 WeakPolarHBondContact O-CE 3.33Å
27F94.8Very high83.3Confident34 Ų3490.9 Ų90.915%0.14944%0.436CS..PPolyproline II helixtrans-60.1132.5175.8173-97000110.4P29 M31 L32 M57 L243 I246 K247 A250 L251F27-P29 HydrophobicContact CE1-CG 4.34Å; F27-M31 HydrophobicContact CD2-SD 4.19Å; F27-L32 HydrophobicContact CE2-CD2 3.67Å; F27-L32 HydrophobicContact CZ-CD2 4.14Å; F27-M57 HydrophobicContact CE1-CE 4.1Å; F27-M57 HydrophobicContact CZ-CE 3.68Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; F27-L243 HydrophobicContact CE1-CD1 4.44Å; F27-I246 HydrophobicContact CE2-CG2 4.42Å; F27-K247 HydrophobicContact CB-CB 4.42Å; F27-K247 HydrophobicContact CB-CD 4.25Å; F27-K247 HydrophobicContact CB-CG 4.04Å; F27-K247 HydrophobicContact CD1-CD 4.13Å; F27-K247 HydrophobicContact CD1-CG 3.71Å; F27-K247 HydrophobicContact CD2-CB 4.02Å; F27-K247 HydrophobicContact CD2-CG 3.71Å; F27-K247 HydrophobicContact CE1-CG 4.01Å; F27-K247 HydrophobicContact CE2-CB 4.46Å; F27-K247 HydrophobicContact CE2-CG 3.99Å; F27-K247 HydrophobicContact CG-CB 4.17Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.54Å; F27-K247 HydrophobicContact CZ-CG 4.14Å; F27-A250 HydrophobicContact CD2-CB 4.18Å; F27-A250 HydrophobicContact CE2-CB 4.03Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å
28R95.3Very high84.4Confident137 Ų13788.9 Ų88.952%0.51742%0.419SS..  trans-127.2131.6173.2-68.5-169-58.5-75.3-0.2109.1E26 E30 M31E26-R28 PolarHBondContact O-N 2.86Å; E26-R28 PolarHBondContact O-NH1 2.86Å; R28-E30 WeakPolarHBondContact CB-OE2 3.42Å; R28-E30 PolarHBondContact O-N 3.37Å; R28-M31 HydrophobicContact CB-CG 4.42Å; R28-M31 VanDerWaalsContact O-CB 3.23Å; R28-M31 WeakPolarHBondContact O-CB 3.5Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.44Å; R28-M31 PolarHBondContact O-N 3.43Å
29P96Very high85.4Confident65 Ų6581.1 Ų81.142%0.42239%0.389SS..G310 helixtrans-50.6-32.1179.7-29.236.7000114.1F27 M31 L32 M57F27-P29 HydrophobicContact CE1-CG 4.34Å; P29-M31 PolarHBondContact O-N 2.96Å; P29-M31 VanDerWaalsContact O-N 3.14Å; P29-L32 PolarHBondContact O-N 3.02Å; P29-M57 HydrophobicContact CB-CG 4.14Å
30E96.4Very high86.7Confident119 Ų11974.3 Ų74.356%0.55636%0.362SS*.G310 helixtrans-61.1-21.1178.5-60.674.2-16200112.9R28 L32 Q33R28-E30 WeakPolarHBondContact CB-OE2 3.42Å; R28-E30 PolarHBondContact O-N 3.37Å; E30-L32 PolarHBondContact O-N 3.1Å; E30-Q33 PolarHBondContact O-N 3.12Å
31M97.9Very high88.4Confident46 Ų4668.2 Ų68.223%0.22734%0.344CS..G310 helixtrans-59-25.2173-68176.3169.700112.6E26 F27 R28 P29 K35 L251E26-M31 WeakPolarHBondContact O-CE 3.33Å; F27-M31 HydrophobicContact CD2-SD 4.19Å; R28-M31 HydrophobicContact CB-CG 4.42Å; R28-M31 VanDerWaalsContact O-CB 3.23Å; R28-M31 WeakPolarHBondContact O-CB 3.5Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.44Å; R28-M31 PolarHBondContact O-N 3.43Å; P29-M31 PolarHBondContact O-N 2.96Å; P29-M31 VanDerWaalsContact O-N 3.14Å; M31-K35 VanDerWaalsContact O-CG 3.28Å; M31-K35 WeakPolarHBondContact O-CG 3.32Å; M31-L251 HydrophobicContact CE-CD2 3.97Å; M31-L251 HydrophobicContact SD-CD2 4.11Å
32L98.6Very high90.2Very high3 Ų359.1 Ų59.12%0.01631%0.308CS..G310 helixtrans-104.2-5-178.9-76-57000113.3F27 P29 E30 G34 K35 L54 M57 M115 I246 A250F27-L32 HydrophobicContact CE2-CD2 3.67Å; F27-L32 HydrophobicContact CZ-CD2 4.14Å; P29-L32 PolarHBondContact O-N 3.02Å; E30-L32 PolarHBondContact O-N 3.1Å; L32-G34 PolarHBondContact O-N 3.24Å; L32-K35 HydrophobicContact CD1-CB 4.31Å; L32-K35 HydrophobicContact CD1-CG 4.39Å; L32-K35 WeakPolarHBondContact O-CB 3.23Å; L32-K35 PolarHBondContact O-N 3.18Å; L32-L54 HydrophobicContact CD1-CD2 3.96Å; L32-L54 HydrophobicContact CG-CD2 4.07Å; L32-M57 HydrophobicContact CB-CB 3.84Å; L32-M57 HydrophobicContact CB-CG 4.43Å; L32-M57 HydrophobicContact CB-SD 3.93Å; L32-M57 HydrophobicContact CD2-SD 4.28Å; L32-M57 HydrophobicContact CG-SD 3.96Å; L32-M115 HydrophobicContact CD1-CE 4.19Å; L32-I246 HydrophobicContact CD2-CG2 4.14Å; L32-I246 HydrophobicContact CG-CG2 4.1Å; L32-A250 HydrophobicContact CD2-CB 3.62Å
33Q98.6Very high92.1Very high134 Ų13457.1 Ų57.163%0.62629%0.294SS*.THydrogen-bonded Turntrans-64.8125.2179.6-168.7176.29.300110.6E30 K35 M57E30-Q33 PolarHBondContact O-N 3.12Å; Q33-K35 PolarHBondContact O-N 2.65Å; Q33-M57 WeakPolarHBondContact CA-O 3.47Å; Q33-M57 PolarHBondContact N-O 3.5Å
34G98.5Very high94.1Very high34 Ų3459 Ų5935%0.35129%0.292SS..THydrogen-bonded Turntrans68.75.2-176.100000114.9L32 G58 H60L32-G34 PolarHBondContact O-N 3.24Å; G34-G58 PolarHBondContact N-O 3.39Å; G34-H60 PolarHBondContact O-CD2 3.39Å
35K98.8Very high95.9Very high78 Ų7855.1 Ų55.134%0.33927%0.274SS..  trans-73.5144.6175.9-68.1-56.1-163174.60111.6M31 L32 Q33 V37 A59 H60 D114M31-K35 VanDerWaalsContact O-CG 3.28Å; M31-K35 WeakPolarHBondContact O-CG 3.32Å; L32-K35 HydrophobicContact CD1-CB 4.31Å; L32-K35 HydrophobicContact CD1-CG 4.39Å; L32-K35 WeakPolarHBondContact O-CB 3.23Å; L32-K35 PolarHBondContact O-N 3.18Å; Q33-K35 PolarHBondContact O-N 2.65Å; K35-V37 HydrophobicContact CB-CG2 4.25Å; K35-A59 WeakPolarHBondContact O-CB 3.45Å; K35-H60 PolarHBondContact O-N 3.4Å; K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.84Å; K35-D114 VanDerWaalsContact CD-CG 3.47Å; K35-D114 WeakPolarHBondContact CD-OD1 3.39Å; K35-D114 IonicContact NZ-OD1 3.53Å; K35-D114 PolarHBondContact NZ-OD1 2.78Å
36K98.9Very high97.4Very high57 Ų5749.3 Ų49.325%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-98.6110-177.2-58.1165.2-173.6172.20109.6H60 M110 G111 D114 M115K36-H60 HydrophobicContact CG-CB 4.36Å; K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.18Å; K36-M110 HydrophobicContact CB-SD 3.86Å; K36-M110 HydrophobicContact CD-CB 4.17Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.39Å; K36-M110 WeakPolarHBondContact CE-O 3.47Å; K36-M110 HydrophobicContact CG-CB 3.96Å; K36-G111 PolarHBondContact NZ-O 3.28Å; K36-D114 WeakPolarHBondContact CB-OD2 3.3Å; K36-D114 PolarHBondContact N-OD2 3.32Å; K36-D114 PolarHBondContact O-N 2.95Å; K36-M115 PolarHBondContact O-N 2.83Å; K36-M115 VanDerWaalsContact O-N 3.09Å
37V98.9Very high98Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-126.3128.3-167.3-1700000111.9K35 V39 L54 A59 H60 V61 V62 M115 I117K35-V37 HydrophobicContact CB-CG2 4.25Å; V37-V39 HydrophobicContact CG1-CG2 4.18Å; V37-L54 HydrophobicContact CB-CD1 4.03Å; V37-L54 HydrophobicContact CB-CD2 4.47Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.34Å; V37-L54 HydrophobicContact CG2-CD2 4.06Å; V37-A59 HydrophobicContact CG2-CB 4.43Å; V37-H60 PolarHBondContact N-O 2.8Å; V37-V61 WeakPolarHBondContact O-CA 3.29Å; V37-V62 PolarHBondContact O-N 3.29Å; V37-M115 WeakPolarHBondContact CA-O 3.36Å; V37-M115 HydrophobicContact CB-CB 4.49Å; V37-M115 HydrophobicContact CG1-CB 4.02Å; V37-M115 HydrophobicContact CG1-CG 4.29Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; V37-I117 HydrophobicContact CG1-CD1 3.89Å; V37-I117 HydrophobicContact CG1-CG1 4Å
38I98.9Very high98.2Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-94.1134.3167.5-75.8169.9000109.2T40 V62 F102 A106 M110 L113 M115 L116 I117I38-T40 HydrophobicContact CG2-CG2 4.16Å; I38-V62 WeakPolarHBondContact CA-O 3.34Å; I38-V62 HydrophobicContact CG1-CB 4.35Å; I38-F102 HydrophobicContact CD1-CE1 4.36Å; I38-F102 HydrophobicContact CD1-CZ 4.47Å; I38-F102 HydrophobicContact CG1-CZ 4.38Å; I38-F102 HydrophobicContact CG2-CE1 3.58Å; I38-F102 HydrophobicContact CG2-CZ 3.65Å; I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.86Å; I38-M110 HydrophobicContact CG1-CE 3.98Å; I38-L113 HydrophobicContact CB-CD1 4.14Å; I38-L113 HydrophobicContact CD1-CD1 3.67Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.5Å; I38-L113 HydrophobicContact CG1-CD1 3.64Å; I38-M115 PolarHBondContact N-O 2.85Å; I38-L116 HydrophobicContact CB-CD1 3.88Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.38Å
39V98.9Very high98.4Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-126.3117.2170.4-165.90000110.6V37 A42 M50 L54 V62 V63 T64 I117V37-V39 HydrophobicContact CG1-CG2 4.18Å; V39-A42 HydrophobicContact CB-CB 4.06Å; V39-A42 HydrophobicContact CG1-CB 3.94Å; V39-A42 WeakPolarHBondContact O-CB 3.43Å; V39-M50 HydrophobicContact CG1-CB 4.29Å; V39-M50 HydrophobicContact CG1-CE 3.94Å; V39-L54 HydrophobicContact CG2-CD1 3.62Å; V39-V62 PolarHBondContact N-O 3.34Å; V39-V63 HydrophobicContact CB-CG1 4.46Å; V39-V63 WeakPolarHBondContact O-CA 3.37Å; V39-T64 PolarHBondContact O-N 3.35Å; V39-T64 VanDerWaalsContact O-N 3.07Å; V39-I117 HydrophobicContact CG1-CB 4.38Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.44Å; V39-I117 HydrophobicContact CG2-CD1 4.24Å
40T98.9Very high98.5Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-92.3148.4177.865.90000112.1I38 A42 T64 M93 F102 I117 L118 N119 H120 L150I38-T40 HydrophobicContact CG2-CG2 4.16Å; T40-A42 VanDerWaalsContact C-N 3.27Å; T40-A42 PolarHBondContact O-N 2.97Å; T40-T64 HydrophobicContact CG2-CG2 3.71Å; T40-M93 HydrophobicContact CG2-CE 3.96Å; T40-F102 HydrophobicContact CG2-CE1 4.27Å; T40-I117 PolarHBondContact N-O 3.19Å; T40-I117 PolarHBondContact OG1-O 2.88Å; T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.46Å; T40-N119 VanDerWaalsContact O-CB 3.32Å; T40-N119 WeakPolarHBondContact O-CB 3.41Å; T40-N119 PolarHBondContact O-ND2 3.39Å; T40-N119 PolarHBondContact OG1-N 2.85Å; T40-H120 WeakPolarHBondContact CB-ND1 3.28Å; T40-H120 PolarHBondContact OG1-N 2.82Å; T40-H120 PolarHBondContact OG1-ND1 2.8Å; T40-L150 HydrophobicContact CG2-CD1 4.11Å
41G98.6Very high98.7Very high18 Ų1829.2 Ų29.219%0.18615%0.151CC..THydrogen-bonded Turntrans66.533.5-176.600000112.2T64 N119G41-T64 PolarHBondContact N-O 3.46Å; G41-N119 PolarHBondContact O-ND2 2.99Å
42A98.7Very high98.7Very high0 Ų028.8 Ų28.80%015%0.147CC..THydrogen-bonded Turntrans-92.95.2-167.200000114.8V39 T40 K44 R48 V63 T64V39-A42 HydrophobicContact CB-CB 4.06Å; V39-A42 HydrophobicContact CG1-CB 3.94Å; V39-A42 WeakPolarHBondContact O-CB 3.43Å; T40-A42 VanDerWaalsContact C-N 3.27Å; T40-A42 PolarHBondContact O-N 2.97Å; A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.25Å; A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.24Å; A42-V63 HydrophobicContact CB-CB 3.73Å; A42-V63 HydrophobicContact CB-CG1 3.7Å; A42-T64 PolarHBondContact N-O 2.85Å; A42-T64 VanDerWaalsContact N-O 3.16Å
43S98.3Very high98.7Very high25 Ų2530 Ų3018%0.17515%0.153CC..THydrogen-bonded Turntrans-74.3-19.4178.956.60000114.2A65 T70S43-A65 WeakPolarHBondContact OG-CB 3.04Å; S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.35Å
44K98.2Very high98.7Very high95 Ų9523.7 Ų23.741%0.41312%0.123SC..SBendtrans-159.1171.8-179.162.6174.9178.9167.40111.9A42 T222A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.25Å; K44-T222 PolarHBondContact NZ-OG1 3.37Å
45G98.3Very high98.8Very high13 Ų1322 Ų2213%0.13411%0.107CC..Hα-helixtrans59.9-147.617400000112.6G47 R48 E49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.28Å; G45-R48 PolarHBondContact O-N 3.39Å; G45-R48 VanDerWaalsContact O-N 3.1Å; G45-E49 PolarHBondContact O-N 2.89Å
46I98.7Very high98.8Very high20 Ų2024.5 Ų24.510%0.10312%0.117CC..Hα-helixtrans-55.4-41-176.4-56167.7000111.5R48 E49 M50 L215 I218 T220 K238 A242 I245I46-R48 VanDerWaalsContact C-N 3.31Å; I46-R48 PolarHBondContact O-N 3.49Å; I46-E49 PolarHBondContact O-N 3.46Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.36Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 3.06Å; I46-L215 HydrophobicContact CD1-CD1 3.78Å; I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.96Å; I46-I218 HydrophobicContact CD1-CG2 3.97Å; I46-I218 HydrophobicContact CG1-CG2 3.97Å; I46-T220 HydrophobicContact CD1-CG2 4.39Å; I46-T220 HydrophobicContact CG1-CG2 3.79Å; I46-K238 HydrophobicContact CG1-CB 4.44Å; I46-A242 HydrophobicContact CG2-CB 4.22Å; I46-I245 HydrophobicContact CG2-CD1 3.57Å
47G98.8Very high98.7Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-59.7-38.6179.400000113.8G45 A51 N119G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.28Å; G47-A51 PolarHBondContact O-N 2.95Å; G47-A51 VanDerWaalsContact O-N 3.17Å; G47-N119 WeakPolarHBondContact CA-ND2 3.37Å
48R98.8Very high98.7Very high71 Ų7123.5 Ų23.527%0.26812%0.118SC..Hα-helixtrans-69.8-45.8176-179.5-178.868.6-161.91.5111.4A42 G45 I46 M50 A51 Y52 V74A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.24Å; G45-R48 PolarHBondContact O-N 3.39Å; G45-R48 VanDerWaalsContact O-N 3.1Å; I46-R48 VanDerWaalsContact C-N 3.31Å; I46-R48 PolarHBondContact O-N 3.49Å; R48-M50 VanDerWaalsContact C-N 3.25Å; R48-M50 PolarHBondContact O-N 3.2Å; R48-A51 WeakPolarHBondContact O-CB 3.09Å; R48-A51 PolarHBondContact O-N 2.97Å; R48-A51 VanDerWaalsContact O-N 3.1Å; R48-Y52 WeakPolarHBondContact CD-OH 3.27Å; R48-Y52 HydrophobicContact CG-CD1 4.42Å; R48-Y52 HydrophobicContact CG-CD2 4.13Å; R48-Y52 HydrophobicContact CG-CE1 3.87Å; R48-Y52 HydrophobicContact CG-CE2 3.58Å; R48-Y52 VanDerWaalsContact CG-CZ 3.43Å; R48-Y52 PolarHBondContact O-N 2.82Å; R48-V74 HydrophobicContact CG-CG1 4.47Å; R48-V74 HydrophobicContact CG-CG2 3.83Å
49E98.9Very high98.7Very high20 Ų2023.5 Ų23.59%0.09312%0.118CC..Hα-helixtrans-63.9-33.8178.9-55.4-43.513700111.5G45 I46 Y52 H53 K238 E239 A242G45-E49 PolarHBondContact O-N 2.89Å; I46-E49 PolarHBondContact O-N 3.46Å; E49-Y52 PolarHBondContact O-N 3.29Å; E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 PolarHBondContact O-N 2.83Å; E49-K238 HydrophobicContact CG-CD 4.3Å; E49-K238 HydrophobicContact CG-CG 3.98Å; E49-E239 HydrophobicContact CG-CG 4.41Å; E49-A242 HydrophobicContact CB-CB 3.62Å
50M98.9Very high98.7Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-62.8-45.2171.1-73.6-172.5-6500111.8V39 I46 R48 Y52 H53 L54 I117 N119 A242 I245 I246V39-M50 HydrophobicContact CG1-CB 4.29Å; V39-M50 HydrophobicContact CG1-CE 3.94Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.36Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 3.06Å; R48-M50 VanDerWaalsContact C-N 3.25Å; R48-M50 PolarHBondContact O-N 3.2Å; M50-Y52 VanDerWaalsContact C-N 3.26Å; M50-Y52 PolarHBondContact O-N 3.48Å; M50-H53 PolarHBondContact O-N 3.08Å; M50-L54 WeakPolarHBondContact O-CB 3.34Å; M50-L54 WeakPolarHBondContact O-CD1 3.31Å; M50-L54 VanDerWaalsContact O-CG 3.25Å; M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 2.93Å; M50-I117 HydrophobicContact CE-CG2 3.66Å; M50-I117 HydrophobicContact SD-CD1 4.36Å; M50-I117 HydrophobicContact SD-CG2 3.71Å; M50-N119 HydrophobicContact CE-CB 3.71Å; M50-A242 HydrophobicContact CB-CB 4.38Å; M50-A242 HydrophobicContact CG-CB 3.55Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.11Å; M50-I245 HydrophobicContact SD-CG2 3.49Å; M50-I245 WeakPolarHBondContact SD-CG2 3.48Å; M50-I246 HydrophobicContact CB-CD1 4.19Å; M50-I246 HydrophobicContact CG-CD1 4.27Å; M50-I246 HydrophobicContact CG-CG1 4.34Å
51A98.9Very high98.7Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-60.2-37.717600000112G47 R48 A55 V63 V74 C78G47-A51 PolarHBondContact O-N 2.95Å; G47-A51 VanDerWaalsContact O-N 3.17Å; R48-A51 WeakPolarHBondContact O-CB 3.09Å; R48-A51 PolarHBondContact O-N 2.97Å; R48-A51 VanDerWaalsContact O-N 3.1Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.39Å; A51-V63 HydrophobicContact CB-CG1 3.72Å; A51-V74 HydrophobicContact CB-CG1 4.11Å; A51-C78 PolarHBondContact O-SG 2.93Å; A51-C78 VanDerWaalsContact O-SG 3.41Å
52Y98.9Very high98.7Very high36 Ų3625.1 Ų25.114%0.14112%0.121CC..Hα-helixtrans-70.7-40.8177.4-65.7-10.3000113R48 E49 M50 A55 K56 V74 H77 L81R48-Y52 WeakPolarHBondContact CD-OH 3.27Å; R48-Y52 HydrophobicContact CG-CD1 4.42Å; R48-Y52 HydrophobicContact CG-CD2 4.13Å; R48-Y52 HydrophobicContact CG-CE1 3.87Å; R48-Y52 HydrophobicContact CG-CE2 3.58Å; R48-Y52 VanDerWaalsContact CG-CZ 3.43Å; R48-Y52 PolarHBondContact O-N 2.82Å; E49-Y52 PolarHBondContact O-N 3.29Å; M50-Y52 VanDerWaalsContact C-N 3.26Å; M50-Y52 PolarHBondContact O-N 3.48Å; Y52-A55 WeakPolarHBondContact O-CB 3.5Å; Y52-A55 PolarHBondContact O-N 3.35Å; Y52-K56 WeakPolarHBondContact O-CG 3.47Å; Y52-K56 PolarHBondContact O-N 3.41Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.95Å; Y52-H77 AromaticContact CD1-CD2 3.96Å; Y52-H77 HydrophobicContact CE1-CB 3.87Å; Y52-H77 AromaticContact CE1-CD2 3.64Å; Y52-H77 AromaticContact CE2-CD2 3.65Å; Y52-H77 AromaticContact CZ-CD2 3.45Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.45Å; Y52-L81 HydrophobicContact CD1-CD1 4.08Å; Y52-L81 HydrophobicContact CG-CD1 3.9Å
53H98.9Very high98.8Very high30 Ų3025.1 Ų25.114%0.13912%0.121CC..Hα-helixtrans-64.8-44.7174-79.3-59.2000112E49 M50 A55 K56 M57 E239 I246E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 PolarHBondContact O-N 2.83Å; M50-H53 PolarHBondContact O-N 3.08Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.1Å; H53-K56 PolarHBondContact O-N 3.28Å; H53-M57 HydrophobicContact CB-CE 4.26Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.41Å; H53-M57 PolarHBondContact O-N 3.02Å; H53-E239 PolarHBondContact NE2-O 3.16Å; H53-I246 HydrophobicContact CB-CD1 3.53Å
54L98.9Very high98.8Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-60.2-39.1175-71.8166.5000111.9L32 V37 V39 M50 M57 G58 A59 V61 I117 I246L32-L54 HydrophobicContact CD1-CD2 3.96Å; L32-L54 HydrophobicContact CG-CD2 4.07Å; V37-L54 HydrophobicContact CB-CD1 4.03Å; V37-L54 HydrophobicContact CB-CD2 4.47Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.34Å; V37-L54 HydrophobicContact CG2-CD2 4.06Å; V39-L54 HydrophobicContact CG2-CD1 3.62Å; M50-L54 WeakPolarHBondContact O-CB 3.34Å; M50-L54 WeakPolarHBondContact O-CD1 3.31Å; M50-L54 VanDerWaalsContact O-CG 3.25Å; M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 2.93Å; L54-M57 PolarHBondContact O-N 2.97Å; L54-G58 PolarHBondContact O-N 3.08Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.38Å; L54-A59 VanDerWaalsContact O-CB 3.27Å; L54-A59 WeakPolarHBondContact O-CB 3.5Å; L54-A59 PolarHBondContact O-N 3.02Å; L54-V61 HydrophobicContact CB-CG1 3.7Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; L54-I117 HydrophobicContact CD1-CD1 4.09Å; L54-I246 HydrophobicContact CD2-CD1 4.32Å; L54-I246 HydrophobicContact CD2-CG1 4.43Å; L54-I246 HydrophobicContact CD2-CG2 4.25Å; L54-I246 HydrophobicContact CG-CD1 3.92Å; L54-I246 HydrophobicContact CG-CG1 4.39Å
55A98.9Very high98.8Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-61-48.2174.100000112.2A51 Y52 H53 M57 G58 C78 L81 G82 A83A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.39Å; Y52-A55 WeakPolarHBondContact O-CB 3.5Å; Y52-A55 PolarHBondContact O-N 3.35Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.1Å; A55-M57 PolarHBondContact O-N 3.45Å; A55-G58 PolarHBondContact O-N 3.08Å; A55-C78 HydrophobicContact CB-CB 3.83Å; A55-C78 WeakPolarHBondContact CB-O 3.43Å; A55-L81 HydrophobicContact CB-CB 3.89Å; A55-L81 HydrophobicContact CB-CD1 4.48Å; A55-G82 CarbonylContact O-C 3.54Å; A55-A83 HydrophobicContact CB-CB 3.81Å; A55-A83 PolarHBondContact O-N 2.8Å
56K98.8Very high98.8Very high129 Ų12926.5 Ų26.556%0.56112%0.118SC*.Hα-helixtrans-59.8-28.1175.7-70.5172.5-178175.20113.2Y52 H53 G58 L81Y52-K56 WeakPolarHBondContact O-CG 3.47Å; Y52-K56 PolarHBondContact O-N 3.41Å; H53-K56 PolarHBondContact O-N 3.28Å; K56-G58 VanDerWaalsContact C-N 3.28Å; K56-L81 HydrophobicContact CG-CB 4.12Å; K56-L81 HydrophobicContact CG-CD1 4.35Å; K56-L81 HydrophobicContact CG-CD2 4.08Å; K56-L81 HydrophobicContact CG-CG 4.42Å
57M98.7Very high98.7Very high21 Ų2127.4 Ų27.410%0.10313%0.127CC..THydrogen-bonded Turntrans-841176.6-63.1167.6-170.700113F27 P29 L32 Q33 H53 L54 A55 L243 I246F27-M57 HydrophobicContact CE1-CE 4.1Å; F27-M57 HydrophobicContact CZ-CE 3.68Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; P29-M57 HydrophobicContact CB-CG 4.14Å; L32-M57 HydrophobicContact CB-CB 3.84Å; L32-M57 HydrophobicContact CB-CG 4.43Å; L32-M57 HydrophobicContact CB-SD 3.93Å; L32-M57 HydrophobicContact CD2-SD 4.28Å; L32-M57 HydrophobicContact CG-SD 3.96Å; Q33-M57 WeakPolarHBondContact CA-O 3.47Å; Q33-M57 PolarHBondContact N-O 3.5Å; H53-M57 HydrophobicContact CB-CE 4.26Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.41Å; H53-M57 PolarHBondContact O-N 3.02Å; L54-M57 PolarHBondContact O-N 2.97Å; A55-M57 PolarHBondContact O-N 3.45Å; M57-L243 HydrophobicContact CE-CD1 3.59Å; M57-I246 HydrophobicContact CE-CG2 4.42Å; M57-I246 HydrophobicContact SD-CG2 4.13Å
58G98.6Very high98.7Very high16 Ų1632.4 Ų32.417%0.16515%0.148CC..THydrogen-bonded Turntrans7428.2179.300000114.2G34 L54 A55 K56 A84G34-G58 PolarHBondContact N-O 3.39Å; L54-G58 PolarHBondContact O-N 3.08Å; A55-G58 PolarHBondContact O-N 3.08Å; K56-G58 VanDerWaalsContact C-N 3.28Å; G58-A84 WeakPolarHBondContact O-CB 3.5Å
59A98.9Very high98.7Very high0 Ų034.6 Ų34.60%016%0.161CC..  trans-77.8159.2176.300000112.4K35 V37 L54 V61 A84K35-A59 WeakPolarHBondContact O-CB 3.45Å; V37-A59 HydrophobicContact CG2-CB 4.43Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.38Å; L54-A59 VanDerWaalsContact O-CB 3.27Å; L54-A59 WeakPolarHBondContact O-CB 3.5Å; L54-A59 PolarHBondContact O-N 3.02Å; A59-V61 HydrophobicContact CB-CG1 4.24Å; A59-A84 PolarHBondContact O-N 3.37Å
60H98.9Very high98.6Very high50 Ų5036.1 Ų36.123%0.23117%0.172CC..EExtended strand (participates in β ladder)trans-84.9124160.1-61.3-86.4000108.5G34 K35 K36 V37 A84 S85 M110G34-H60 PolarHBondContact O-CD2 3.39Å; K35-H60 PolarHBondContact O-N 3.4Å; K36-H60 HydrophobicContact CG-CB 4.36Å; V37-H60 PolarHBondContact N-O 2.8Å; H60-A84 VanDerWaalsContact CE1-CB 3.47Å; H60-A84 WeakPolarHBondContact CE1-CB 3.39Å; H60-S85 CarbonylContact C-O 3.59Å; H60-S85 WeakPolarHBondContact CA-O 3.31Å; H60-S85 WeakPolarHBondContact CB-OG 3.26Å; H60-S85 WeakPolarHBondContact ND1-CB 3.19Å; H60-S85 PolarHBondContact ND1-OG 2.75Å; H60-M110 HydrophobicContact CB-CG 4.18Å; H60-M110 HydrophobicContact CB-SD 4.03Å
61V98.9Very high98.6Very high1 Ų136.1 Ų36.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-121.2133.6-176.5-62.20000112.6V37 L54 A59 C78 S85 A86 H87V37-V61 WeakPolarHBondContact O-CA 3.29Å; L54-V61 HydrophobicContact CB-CG1 3.7Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; A59-V61 HydrophobicContact CB-CG1 4.24Å; V61-C78 HydrophobicContact CG2-CB 4.22Å; V61-S85 PolarHBondContact N-O 2.88Å; V61-A86 HydrophobicContact CG2-CB 3.63Å; V61-A86 WeakPolarHBondContact O-CA 3.4Å; V61-H87 PolarHBondContact O-N 2.95Å
62V98.9Very high98.6Very high0 Ų040 Ų400%019%0.191CC..EExtended strand (participates in β ladder)trans-116.7115.2164.5-179.70000109V37 I38 V39 H87 I89 F102 A106 M110V37-V62 PolarHBondContact O-N 3.29Å; I38-V62 WeakPolarHBondContact CA-O 3.34Å; I38-V62 HydrophobicContact CG1-CB 4.35Å; V39-V62 PolarHBondContact N-O 3.34Å; V62-H87 WeakPolarHBondContact CA-O 3.28Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.32Å; V62-F102 HydrophobicContact CG1-CE2 3.86Å; V62-F102 HydrophobicContact CG1-CZ 4.28Å; V62-A106 HydrophobicContact CB-CB 3.99Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.1Å; V62-M110 HydrophobicContact CB-CE 4.28Å; V62-M110 HydrophobicContact CB-SD 4.44Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.69Å
63V98.9Very high98.6Very high0 Ų045.7 Ų45.70%022%0.216CC..EExtended strand (participates in β ladder)trans-101.8143.1-178.5-68.30000111.5V39 A42 A51 L71 V74 V75 H87 Y88 I89V39-V63 HydrophobicContact CB-CG1 4.46Å; V39-V63 WeakPolarHBondContact O-CA 3.37Å; A42-V63 HydrophobicContact CB-CB 3.73Å; A42-V63 HydrophobicContact CB-CG1 3.7Å; A51-V63 HydrophobicContact CB-CG1 3.72Å; V63-L71 HydrophobicContact CB-CD2 4.09Å; V63-L71 HydrophobicContact CG2-CD2 3.87Å; V63-V74 HydrophobicContact CG1-CG1 4.34Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; V63-V75 HydrophobicContact CG2-CG2 3.6Å; V63-H87 WeakPolarHBondContact CG2-O 3.23Å; V63-H87 PolarHBondContact N-O 2.64Å; V63-Y88 WeakPolarHBondContact O-CA 2.89Å; V63-I89 PolarHBondContact O-N 3.28Å; V63-I89 VanDerWaalsContact O-N 3.12Å
64T98.9Very high98.6Very high1 Ų144.4 Ų44.41%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-137.8145.2175.6-172.90000113.1V39 T40 G41 A42 I89 M93 F102V39-T64 PolarHBondContact O-N 3.35Å; V39-T64 VanDerWaalsContact O-N 3.07Å; T40-T64 HydrophobicContact CG2-CG2 3.71Å; G41-T64 PolarHBondContact N-O 3.46Å; A42-T64 PolarHBondContact N-O 2.85Å; A42-T64 VanDerWaalsContact N-O 3.16Å; T64-I89 WeakPolarHBondContact CA-O 3.31Å; T64-I89 VanDerWaalsContact CB-O 3.22Å; T64-I89 WeakPolarHBondContact CB-O 3.12Å; T64-I89 PolarHBondContact OG1-O 3.42Å; T64-M93 HydrophobicContact CG2-CE 3.5Å; T64-M93 VanDerWaalsContact CG2-CE 3.5Å; T64-F102 HydrophobicContact CG2-CD1 4.26Å; T64-F102 HydrophobicContact CG2-CD2 4.46Å; T64-F102 HydrophobicContact CG2-CE1 3.58Å; T64-F102 HydrophobicContact CG2-CE2 3.84Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å
65A98.7Very high98.6Very high13 Ų1345.2 Ų45.211%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-170.1-177174.400000108S43 L71 A90 G91S43-A65 WeakPolarHBondContact OG-CB 3.04Å; A65-L71 HydrophobicContact CB-CD1 4.12Å; A65-L71 HydrophobicContact CB-CD2 3.91Å; A65-L71 HydrophobicContact CB-CG 4.1Å; A65-L71 WeakPolarHBondContact O-CD1 3.4Å; A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.32Å; A65-G91 CarbonylContact C-O 3.43Å; A65-G91 PolarHBondContact O-N 3.14Å
66R98.3Very high98.5Very high148 Ų14848.2 Ų48.256%0.55824%0.236SC*.SBendtrans-77.6-42.3-179.4-65.8174.3-68.7162.6-2.6114.1K68 G91R66-K68 PolarHBondContact O-N 3.38Å; R66-G91 WeakPolarHBondContact CG-O 3.42Å
67S97.4Very high98.6Very high40 Ų4045.4 Ų45.428%0.2823%0.225SC..  trans-85115-175.1161.50000111.2E69 T70 L71S67-E69 VanDerWaalsContact C-N 3.33Å; S67-E69 PolarHBondContact O-N 3.27Å; S67-E69 PolarHBondContact OG-OE2 3.5Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-OG1 3.49Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 3.49Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.49Å
68K97.9Very high98.6Very high104 Ų10444.4 Ų44.445%0.45222%0.22SC..Hα-helixtrans-61.2-41.5175.5175.6172.4-179.5-175.30111.9R66 T70 L71 Q72 Y88 A90R66-K68 PolarHBondContact O-N 3.38Å; K68-T70 PolarHBondContact O-N 3.02Å; K68-L71 PolarHBondContact O-N 3.28Å; K68-Q72 HydrophobicContact CG-CG 4.46Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.28Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 WeakPolarHBondContact CE-OH 3.5Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; K68-A90 HydrophobicContact CB-CB 4.21Å
69E97.9Very high98.6Very high117 Ų11748 Ų4855%0.54724%0.235SC..Hα-helixtrans-65.3-42-174.5-54.568-144.100111.1S67 K73S67-E69 VanDerWaalsContact C-N 3.33Å; S67-E69 PolarHBondContact O-N 3.27Å; S67-E69 PolarHBondContact OG-OE2 3.5Å; E69-K73 PolarHBondContact O-N 3.28Å
70T97.6Very high98.6Very high52 Ų5254.9 Ų54.932%0.31927%0.267SS..Hα-helixtrans-71.2-39.8176.652.80000111.7S43 S67 K68 Q72 K73 V74S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.35Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-OG1 3.49Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 3.49Å; K68-T70 PolarHBondContact O-N 3.02Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.36Å; T70-K73 PolarHBondContact O-N 2.88Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å
71L98.7Very high98.5Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-63.4-38.4175.7-73.4169.1000112.8V63 A65 S67 K68 K73 V74 V75 Y88 A90V63-L71 HydrophobicContact CB-CD2 4.09Å; V63-L71 HydrophobicContact CG2-CD2 3.87Å; A65-L71 HydrophobicContact CB-CD1 4.12Å; A65-L71 HydrophobicContact CB-CD2 3.91Å; A65-L71 HydrophobicContact CB-CG 4.1Å; A65-L71 WeakPolarHBondContact O-CD1 3.4Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.49Å; K68-L71 PolarHBondContact O-N 3.28Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.46Å; L71-V74 PolarHBondContact O-N 2.86Å; L71-V75 WeakPolarHBondContact O-CG2 3.12Å; L71-V75 PolarHBondContact O-N 3.48Å; L71-Y88 HydrophobicContact CB-CD2 3.98Å; L71-Y88 HydrophobicContact CB-CG 3.86Å; L71-Y88 HydrophobicContact CD1-CD2 4.18Å; L71-A90 HydrophobicContact CD1-CB 4.01Å
72Q98.5Very high98.5Very high83 Ų8357 Ų5739%0.38829%0.29SS..Hα-helixtrans-58-45.4174.2-77.9174-19.600111.3K68 T70 V74 V75 S76 Y88K68-Q72 HydrophobicContact CG-CG 4.46Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.28Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.36Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.3Å; Q72-V75 PolarHBondContact O-N 2.99Å; Q72-S76 PolarHBondContact O-N 2.97Å; Q72-S76 PolarHBondContact O-OG 3.15Å; Q72-Y88 HydrophobicContact CB-CE1 4.49Å; Q72-Y88 HydrophobicContact CG-CD1 4.23Å; Q72-Y88 HydrophobicContact CG-CE1 3.46Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.46Å; Q72-Y88 HydrophobicContact CG-CE2 4.41Å; Q72-Y88 PolarHBondContact NE2-OH 3.07Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.1Å
73K98.6Very high98.5Very high155 Ų15557.5 Ų57.567%0.67430%0.295SS*.Hα-helixtrans-61.5-41.9176-66.3178-178.2-176.60112.2E69 T70 L71 H77E69-K73 PolarHBondContact O-N 3.28Å; T70-K73 PolarHBondContact O-N 2.88Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.46Å; K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3Å
74V98.8Very high98.5Very high3 Ų360.2 Ų60.22%0.01832%0.317CS..Hα-helixtrans-62.5-45.8176.6172.90000110.8R48 A51 Y52 V63 T70 L71 Q72 H77 C78R48-V74 HydrophobicContact CG-CG1 4.47Å; R48-V74 HydrophobicContact CG-CG2 3.83Å; A51-V74 HydrophobicContact CB-CG1 4.11Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.95Å; V63-V74 HydrophobicContact CG1-CG1 4.34Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å; L71-V74 PolarHBondContact O-N 2.86Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.3Å; V74-H77 PolarHBondContact O-N 2.82Å; V74-C78 PolarHBondContact O-N 3.43Å; V74-C78 PolarHBondContact O-SG 2.93Å
75V98.8Very high98.5Very high16 Ų1661.2 Ų61.210%0.09733%0.325CS..Hα-helixtrans-62.8-46.7178165.60000111.9V63 L71 Q72 H77 C78 L79 A86 Y88V63-V75 HydrophobicContact CG2-CG2 3.6Å; L71-V75 WeakPolarHBondContact O-CG2 3.12Å; L71-V75 PolarHBondContact O-N 3.48Å; Q72-V75 PolarHBondContact O-N 2.99Å; V75-H77 VanDerWaalsContact C-N 3.28Å; V75-H77 PolarHBondContact O-N 3.09Å; V75-C78 WeakPolarHBondContact O-CB 3.48Å; V75-C78 PolarHBondContact O-N 2.86Å; V75-L79 HydrophobicContact CG1-CD1 4.35Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 2.75Å; V75-A86 HydrophobicContact CB-CB 4.49Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.94Å; V75-Y88 HydrophobicContact CG2-CG 4.38Å
76S98.8Very high98.5Very high63 Ų6361 Ų6144%0.44132%0.323SS..Hα-helixtrans-55.6-46.4175.9-64.80000111.2Q72 L79 E80Q72-S76 PolarHBondContact O-N 2.97Å; Q72-S76 PolarHBondContact O-OG 3.15Å; S76-L79 PolarHBondContact O-N 2.99Å; S76-E80 WeakPolarHBondContact O-CG 3.36Å; S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.09Å
77H98.8Very high98.5Very high70 Ų7057.3 Ų57.332%0.32431%0.311SS..Hα-helixtrans-69.9-34.4179.7-159.958.3000113.1Y52 K73 V74 V75 L79 E80 L81Y52-H77 AromaticContact CD1-CD2 3.96Å; Y52-H77 HydrophobicContact CE1-CB 3.87Å; Y52-H77 AromaticContact CE1-CD2 3.64Å; Y52-H77 AromaticContact CE2-CD2 3.65Å; Y52-H77 AromaticContact CZ-CD2 3.45Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.45Å; K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3Å; V74-H77 PolarHBondContact O-N 2.82Å; V75-H77 VanDerWaalsContact C-N 3.28Å; V75-H77 PolarHBondContact O-N 3.09Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.1Å; H77-E80 IonicContact CE1-OE2 3.73Å; H77-E80 IonicContact CG-OE2 3.87Å; H77-E80 IonicContact ND1-OE2 2.87Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 PolarHBondContact O-N 2.81Å; H77-L81 WeakPolarHBondContact O-CB 3.02Å; H77-L81 VanDerWaalsContact O-CG 3.27Å; H77-L81 WeakPolarHBondContact O-CG 3.17Å; H77-L81 PolarHBondContact O-N 2.85Å
78C98.9Very high98.6Very high0 Ų058.7 Ų58.70%031%0.311CS..Hα-helixtrans-59.8-40.6171.4-75.30000111.9A51 A55 V61 V74 V75 L81 G82 A83 A86A51-C78 PolarHBondContact O-SG 2.93Å; A51-C78 VanDerWaalsContact O-SG 3.41Å; A55-C78 HydrophobicContact CB-CB 3.83Å; A55-C78 WeakPolarHBondContact CB-O 3.43Å; V61-C78 HydrophobicContact CG2-CB 4.22Å; V74-C78 PolarHBondContact O-N 3.43Å; V74-C78 PolarHBondContact O-SG 2.93Å; V75-C78 WeakPolarHBondContact O-CB 3.48Å; V75-C78 PolarHBondContact O-N 2.86Å; C78-L81 PolarHBondContact O-N 2.87Å; C78-G82 PolarHBondContact O-N 3.07Å; C78-A83 HydrophobicContact CB-CB 4.26Å; C78-A83 WeakPolarHBondContact O-CB 3.15Å; C78-A83 PolarHBondContact O-N 2.91Å; C78-A86 HydrophobicContact CB-CB 3.75Å
79L98.8Very high98.6Very high93 Ų9354.4 Ų54.449%0.48729%0.293SS..Hα-helixtrans-65.8-42.4176.3-65170.4000111.4V75 S76 H77 L81 G82 A86V75-L79 HydrophobicContact CG1-CD1 4.35Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 2.75Å; S76-L79 PolarHBondContact O-N 2.99Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.1Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.19Å; L79-G82 PolarHBondContact O-N 3.19Å; L79-A86 HydrophobicContact CD2-CB 3.91Å; L79-A86 HydrophobicContact CG-CB 4.02Å
80E98.7Very high98.7Very high144 Ų14450.6 Ų50.667%0.67328%0.281SS*.Hα-helixtrans-59.9-36.2174.8-69.2165.3-171.800112.6S76 H77 G82S76-E80 WeakPolarHBondContact O-CG 3.36Å; S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.09Å; H77-E80 IonicContact CE1-OE2 3.73Å; H77-E80 IonicContact CG-OE2 3.87Å; H77-E80 IonicContact ND1-OE2 2.87Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 PolarHBondContact O-N 2.81Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.93Å
81L98.7Very high98.7Very high48 Ų4849 Ų4925%0.25128%0.275SS..THydrogen-bonded Turntrans-77.7-5.8179.7-71.9175.2000114.4Y52 A55 K56 H77 C78 L79Y52-L81 HydrophobicContact CD1-CD1 4.08Å; Y52-L81 HydrophobicContact CG-CD1 3.9Å; A55-L81 HydrophobicContact CB-CB 3.89Å; A55-L81 HydrophobicContact CB-CD1 4.48Å; K56-L81 HydrophobicContact CG-CB 4.12Å; K56-L81 HydrophobicContact CG-CD1 4.35Å; K56-L81 HydrophobicContact CG-CD2 4.08Å; K56-L81 HydrophobicContact CG-CG 4.42Å; H77-L81 WeakPolarHBondContact O-CB 3.02Å; H77-L81 VanDerWaalsContact O-CG 3.27Å; H77-L81 WeakPolarHBondContact O-CG 3.17Å; H77-L81 PolarHBondContact O-N 2.85Å; C78-L81 PolarHBondContact O-N 2.87Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.19Å
82G98.5Very high98.7Very high46 Ų4651.1 Ų51.147%0.47429%0.289SS..THydrogen-bonded Turntrans100.420.2176.200000115.8A55 C78 L79 E80 A84A55-G82 CarbonylContact O-C 3.54Å; C78-G82 PolarHBondContact O-N 3.07Å; L79-G82 PolarHBondContact O-N 3.19Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.93Å; G82-A84 PolarHBondContact O-N 2.91Å
83A98.7Very high98.7Very high12 Ų1247.8 Ų47.810%0.09927%0.273CS..  trans-56.9138.6172.200000111.2A55 C78 S85 A86A55-A83 HydrophobicContact CB-CB 3.81Å; A55-A83 PolarHBondContact O-N 2.8Å; C78-A83 HydrophobicContact CB-CB 4.26Å; C78-A83 WeakPolarHBondContact O-CB 3.15Å; C78-A83 PolarHBondContact O-N 2.91Å; A83-S85 VanDerWaalsContact C-N 3.26Å; A83-S85 PolarHBondContact O-N 2.97Å; A83-A86 HydrophobicContact CB-CB 4.38Å
84A98.6Very high98.7Very high57 Ų5743.9 Ų43.947%0.47126%0.257SS..SBendtrans-64.7-33.9176.200000111.9G58 A59 H60 G82G58-A84 WeakPolarHBondContact O-CB 3.5Å; A59-A84 PolarHBondContact O-N 3.37Å; H60-A84 VanDerWaalsContact CE1-CB 3.47Å; H60-A84 WeakPolarHBondContact CE1-CB 3.39Å; G82-A84 PolarHBondContact O-N 2.91Å
85S98.7Very high98.7Very high22 Ų2247.2 Ų47.215%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-157.6151.2161.967.50000109.7H60 V61 A83H60-S85 CarbonylContact C-O 3.59Å; H60-S85 WeakPolarHBondContact CA-O 3.31Å; H60-S85 WeakPolarHBondContact CB-OG 3.26Å; H60-S85 WeakPolarHBondContact ND1-CB 3.19Å; H60-S85 PolarHBondContact ND1-OG 2.75Å; V61-S85 PolarHBondContact N-O 2.88Å; A83-S85 VanDerWaalsContact C-N 3.26Å; A83-S85 PolarHBondContact O-N 2.97Å
86A98.8Very high98.7Very high8 Ų848.6 Ų48.67%0.06628%0.281CS..EExtended strand (participates in β ladder)trans-135.7129173.200000111.1V61 V75 C78 L79 A83V61-A86 HydrophobicContact CG2-CB 3.63Å; V61-A86 WeakPolarHBondContact O-CA 3.4Å; V75-A86 HydrophobicContact CB-CB 4.49Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; C78-A86 HydrophobicContact CB-CB 3.75Å; L79-A86 HydrophobicContact CD2-CB 3.91Å; L79-A86 HydrophobicContact CG-CB 4.02Å; A83-A86 HydrophobicContact CB-CB 4.38Å
87H98.8Very high98.7Very high70 Ų7049.3 Ų49.332%0.32428%0.283SS..EExtended strand (participates in β ladder)trans-134.1161.2175.7-56.2-75.2000110.7V61 V62 V63 L109V61-H87 PolarHBondContact O-N 2.95Å; V62-H87 WeakPolarHBondContact CA-O 3.28Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V63-H87 WeakPolarHBondContact CG2-O 3.23Å; V63-H87 PolarHBondContact N-O 2.64Å; H87-L109 HydrophobicContact CB-CD1 3.98Å
88Y98.8Very high98.7Very high69 Ų6947.2 Ų47.227%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-129152171.571.6-87.2000111.4V63 K68 L71 Q72 V75V63-Y88 WeakPolarHBondContact O-CA 2.89Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 WeakPolarHBondContact CE-OH 3.5Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; L71-Y88 HydrophobicContact CB-CD2 3.98Å; L71-Y88 HydrophobicContact CB-CG 3.86Å; L71-Y88 HydrophobicContact CD1-CD2 4.18Å; Q72-Y88 HydrophobicContact CB-CE1 4.49Å; Q72-Y88 HydrophobicContact CG-CD1 4.23Å; Q72-Y88 HydrophobicContact CG-CE1 3.46Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.46Å; Q72-Y88 HydrophobicContact CG-CE2 4.41Å; Q72-Y88 PolarHBondContact NE2-OH 3.07Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.1Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.94Å; V75-Y88 HydrophobicContact CG2-CG 4.38Å
89I98.7Very high98.6Very high14 Ų1447.2 Ų47.27%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-133.5115.8168.9-55.7170.8000106.7V62 V63 T64 F98 F102 Q105 A106 L109V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.32Å; V63-I89 PolarHBondContact O-N 3.28Å; V63-I89 VanDerWaalsContact O-N 3.12Å; T64-I89 WeakPolarHBondContact CA-O 3.31Å; T64-I89 VanDerWaalsContact CB-O 3.22Å; T64-I89 WeakPolarHBondContact CB-O 3.12Å; T64-I89 PolarHBondContact OG1-O 3.42Å; I89-F98 HydrophobicContact CG2-CE2 3.93Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; I89-F102 HydrophobicContact CB-CD2 3.7Å; I89-F102 HydrophobicContact CB-CE2 3.93Å; I89-F102 HydrophobicContact CD1-CD2 3.7Å; I89-F102 HydrophobicContact CD1-CE2 3.94Å; I89-F102 HydrophobicContact CG1-CD2 4.22Å; I89-F102 HydrophobicContact CG1-CE2 4.31Å; I89-F102 HydrophobicContact CG2-CD2 3.99Å; I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.61Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; I89-L109 HydrophobicContact CD1-CD1 4.22Å
90A98.7Very high98.6Very high37 Ų3748.4 Ų48.431%0.30628%0.276SS..EExtended strand (participates in β ladder)trans-88.3137.5-177.100000111.1A65 K68 L71 F98A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.32Å; K68-A90 HydrophobicContact CB-CB 4.21Å; L71-A90 HydrophobicContact CD1-CB 4.01Å; A90-F98 WeakPolarHBondContact O-CE2 3.34Å
91G98.5Very high98.6Very high19 Ų1947.3 Ų47.320%0.19627%0.271CS..  trans174.5175.9174.900000112.7A65 R66A65-G91 CarbonylContact C-O 3.43Å; A65-G91 PolarHBondContact O-N 3.14Å; R66-G91 WeakPolarHBondContact CG-O 3.42Å
92T98.5Very high98.6Very high45 Ų4545 Ų4528%0.27626%0.259SS..  trans-102.3137.6178.9-171.40000110.8E94 D95 F98T92-E94 HydrophobicContact CG2-CB 4.09Å; T92-E94 PolarHBondContact O-N 2.9Å; T92-E94 PolarHBondContact OG1-N 3.32Å; T92-E94 PolarHBondContact OG1-OE2 3.26Å; T92-D95 HydrophobicContact CG2-CB 4.04Å; T92-D95 PolarHBondContact O-N 3.47Å; T92-F98 VanDerWaalsContact O-CD1 3.23Å; T92-F98 WeakPolarHBondContact O-CD1 3.47Å
93M98.7Very high98.6Very high12 Ų1242.9 Ų42.96%0.05924%0.236CC..THydrogen-bonded Turntrans-83.25.2174.4-63.5-68.2-177.300112.5T40 T64 M96 F98 A99 F102 H120 V142 S146 L150T40-M93 HydrophobicContact CG2-CE 3.96Å; T64-M93 HydrophobicContact CG2-CE 3.5Å; T64-M93 VanDerWaalsContact CG2-CE 3.5Å; M93-M96 WeakPolarHBondContact O-CE 3.38Å; M93-F98 HydrophobicContact CE-CE1 3.99Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.18Å; M93-A99 HydrophobicContact SD-CB 4.01Å; M93-F102 HydrophobicContact CE-CD1 4.04Å; M93-F102 HydrophobicContact CE-CE1 4.3Å; M93-H120 VanDerWaalsContact CB-CD2 3.48Å; M93-H120 WeakPolarHBondContact CB-CD2 3.35Å; M93-H120 WeakPolarHBondContact CB-NE2 3.21Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.33Å; M93-V142 HydrophobicContact CB-CG1 4.41Å; M93-S146 WeakPolarHBondContact O-CB 3.36Å; M93-L150 HydrophobicContact CE-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4Å; M93-L150 HydrophobicContact SD-CD2 4.34Å
94E98.3Very high98.6Very high73 Ų7345.4 Ų45.434%0.34126%0.257SS..THydrogen-bonded Turntrans-69.9-26.2162-66.3174.486.200111.1T92 K138 V142T92-E94 HydrophobicContact CG2-CB 4.09Å; T92-E94 PolarHBondContact O-N 2.9Å; T92-E94 PolarHBondContact OG1-N 3.32Å; T92-E94 PolarHBondContact OG1-OE2 3.26Å; E94-K138 WeakPolarHBondContact OE1-CE 3.36Å; E94-K138 IonicContact OE1-NZ 2.75Å; E94-K138 PolarHBondContact OE1-NZ 2.66Å; E94-K138 IonicContact OE2-NZ 3.55Å; E94-K138 PolarHBondContact OE2-NZ 3.42Å; E94-V142 HydrophobicContact CB-CG2 4.26Å; E94-V142 HydrophobicContact CG-CG2 3.28Å
95D98.6Very high98.6Very high74 Ų7447.6 Ų47.640%0.39626%0.258SS..  trans-94.7109.2178.1178.8-4.7000110T92 T97 F98 A99T92-D95 HydrophobicContact CG2-CB 4.04Å; T92-D95 PolarHBondContact O-N 3.47Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 WeakPolarHBondContact OD1-CA 3.11Å; D95-T97 VanDerWaalsContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CB 3.33Å; D95-T97 PolarHBondContact OD1-N 3.23Å; D95-F98 HydrophobicContact CB-CB 3.87Å; D95-F98 WeakPolarHBondContact O-CB 3.14Å; D95-F98 PolarHBondContact O-N 3.45Å; D95-F98 PolarHBondContact OD1-N 2.96Å; D95-F98 VanDerWaalsContact OD1-N 3.1Å; D95-A99 PolarHBondContact O-N 3.47Å
96M98.5Very high98.6Very high45 Ų4546.6 Ų46.622%0.22225%0.25CS..Hα-helixtrans-69.6-28-179.8-59.8-59137.300112.5M93 A99 E100 E141 L145 V149M93-M96 WeakPolarHBondContact O-CE 3.38Å; M96-A99 PolarHBondContact O-N 2.98Å; M96-E100 PolarHBondContact O-N 3.47Å; M96-E100 VanDerWaalsContact O-N 3.08Å; M96-E141 HydrophobicContact CE-CB 4.29Å; M96-E141 WeakPolarHBondContact CE-O 3.45Å; M96-L145 HydrophobicContact CE-CB 4.42Å; M96-L145 HydrophobicContact SD-CD2 4.43Å; M96-L145 HydrophobicContact SD-CG 4.18Å; M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.37Å; M96-V149 HydrophobicContact SD-CB 4.36Å; M96-V149 HydrophobicContact SD-CG2 3.78Å
97T98.6Very high98.5Very high78 Ų7846.4 Ų46.448%0.47925%0.25SC..Hα-helixtrans-69-41.4173.7-60.40000110.3D95 A99 E100 Q101D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 WeakPolarHBondContact OD1-CA 3.11Å; D95-T97 VanDerWaalsContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CB 3.33Å; D95-T97 PolarHBondContact OD1-N 3.23Å; T97-A99 VanDerWaalsContact C-N 3.35Å; T97-E100 PolarHBondContact O-N 2.62Å; T97-Q101 HydrophobicContact CG2-CG 4.43Å; T97-Q101 WeakPolarHBondContact O-CB 3.45Å; T97-Q101 VanDerWaalsContact O-CG 3.3Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 2.84Å
98F98.7Very high98.5Very high26 Ų2651.9 Ų51.911%0.11427%0.272CS..Hα-helixtrans-59-46.4170.8171.1-98.8000111.4I89 A90 T92 M93 D95 E100 Q101 F102I89-F98 HydrophobicContact CG2-CE2 3.93Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; A90-F98 WeakPolarHBondContact O-CE2 3.34Å; T92-F98 VanDerWaalsContact O-CD1 3.23Å; T92-F98 WeakPolarHBondContact O-CD1 3.47Å; M93-F98 HydrophobicContact CE-CE1 3.99Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.18Å; D95-F98 HydrophobicContact CB-CB 3.87Å; D95-F98 WeakPolarHBondContact O-CB 3.14Å; D95-F98 PolarHBondContact O-N 3.45Å; D95-F98 PolarHBondContact OD1-N 2.96Å; D95-F98 VanDerWaalsContact OD1-N 3.1Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; F98-Q101 PolarHBondContact O-N 3.5Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.37Å; F98-F102 HydrophobicContact CZ-CB 4.08Å; F98-F102 HydrophobicContact CZ-CD2 4.43Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.29Å; F98-F102 PolarHBondContact O-N 3.39Å
99A98.4Very high98.5Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-57.3-45.5-179.800000112.2M93 D95 M96 T97 V149 L150M93-A99 HydrophobicContact SD-CB 4.01Å; D95-A99 PolarHBondContact O-N 3.47Å; M96-A99 PolarHBondContact O-N 2.98Å; T97-A99 VanDerWaalsContact C-N 3.35Å; A99-V149 HydrophobicContact CB-CB 4.47Å; A99-V149 HydrophobicContact CB-CG1 3.99Å; A99-L150 HydrophobicContact CB-CD2 4.01Å; A99-L150 HydrophobicContact CB-CG 4.14Å; A99-L150 VanDerWaalsContact O-CD2 3.29Å; A99-L150 WeakPolarHBondContact O-CD2 3.45Å
100E98.1Very high98.5Very high118 Ų11852.2 Ų52.255%0.55128%0.279SS*.Hα-helixtrans-63.5-51.1176.4-175.5-179.9-173.200112.2M96 T97 F98 F102 V103 A104 V149 A153M96-E100 PolarHBondContact O-N 3.47Å; M96-E100 VanDerWaalsContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 2.62Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; E100-F102 VanDerWaalsContact C-N 3.32Å; E100-F102 PolarHBondContact O-N 2.84Å; E100-V103 PolarHBondContact O-N 2.76Å; E100-A104 PolarHBondContact O-N 2.8Å; E100-V149 HydrophobicContact CB-CG1 4.15Å; E100-A153 HydrophobicContact CG-CB 4.38Å
101Q98.5Very high98.5Very high120 Ų12053.1 Ų53.156%0.56129%0.292SS*.Hα-helixtrans-64.9-36.4-178.3-70.8178.21.500112.7T97 F98 V103 A104 Q105T97-Q101 HydrophobicContact CG2-CG 4.43Å; T97-Q101 WeakPolarHBondContact O-CB 3.45Å; T97-Q101 VanDerWaalsContact O-CG 3.3Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 2.84Å; F98-Q101 PolarHBondContact O-N 3.5Å; Q101-V103 VanDerWaalsContact C-N 3.31Å; Q101-V103 PolarHBondContact O-N 3.46Å; Q101-A104 PolarHBondContact O-N 3.38Å; Q101-Q105 WeakPolarHBondContact O-CB 3.36Å; Q101-Q105 PolarHBondContact O-N 2.8Å
102F98.7Very high98.5Very high1 Ų152.8 Ų52.80%0.00429%0.288CS..Hα-helixtrans-55-47.2177.6162.7-112.5000111.4I38 T40 V62 T64 I89 M93 F98 E100 Q105 A106 L150I38-F102 HydrophobicContact CD1-CE1 4.36Å; I38-F102 HydrophobicContact CD1-CZ 4.47Å; I38-F102 HydrophobicContact CG1-CZ 4.38Å; I38-F102 HydrophobicContact CG2-CE1 3.58Å; I38-F102 HydrophobicContact CG2-CZ 3.65Å; T40-F102 HydrophobicContact CG2-CE1 4.27Å; V62-F102 HydrophobicContact CG1-CE2 3.86Å; V62-F102 HydrophobicContact CG1-CZ 4.28Å; T64-F102 HydrophobicContact CG2-CD1 4.26Å; T64-F102 HydrophobicContact CG2-CD2 4.46Å; T64-F102 HydrophobicContact CG2-CE1 3.58Å; T64-F102 HydrophobicContact CG2-CE2 3.84Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å; I89-F102 HydrophobicContact CB-CD2 3.7Å; I89-F102 HydrophobicContact CB-CE2 3.93Å; I89-F102 HydrophobicContact CD1-CD2 3.7Å; I89-F102 HydrophobicContact CD1-CE2 3.94Å; I89-F102 HydrophobicContact CG1-CD2 4.22Å; I89-F102 HydrophobicContact CG1-CE2 4.31Å; I89-F102 HydrophobicContact CG2-CD2 3.99Å; M93-F102 HydrophobicContact CE-CD1 4.04Å; M93-F102 HydrophobicContact CE-CE1 4.3Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.37Å; F98-F102 HydrophobicContact CZ-CB 4.08Å; F98-F102 HydrophobicContact CZ-CD2 4.43Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.29Å; F98-F102 PolarHBondContact O-N 3.39Å; E100-F102 VanDerWaalsContact C-N 3.32Å; E100-F102 PolarHBondContact O-N 2.84Å; F102-Q105 PolarHBondContact O-N 3.49Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 4.46Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.5Å; F102-L150 HydrophobicContact CD1-CD2 3.74Å; F102-L150 HydrophobicContact CE1-CD2 4.3Å
103V98.7Very high98.5Very high0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-66.6-42.2-178.3174.80000111.2E100 Q101 Q105 A106 G107 L150 A153 A154 M157E100-V103 PolarHBondContact O-N 2.76Å; Q101-V103 VanDerWaalsContact C-N 3.31Å; Q101-V103 PolarHBondContact O-N 3.46Å; V103-Q105 PolarHBondContact O-N 3.48Å; V103-A106 PolarHBondContact O-N 3.13Å; V103-G107 PolarHBondContact O-N 3.33Å; V103-L150 HydrophobicContact CG2-CB 4.39Å; V103-L150 HydrophobicContact CG2-CD2 3.48Å; V103-L150 VanDerWaalsContact CG2-CD2 3.48Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 4.01Å; V103-A153 HydrophobicContact CG2-CB 4.19Å; V103-A154 HydrophobicContact CG1-CB 3.81Å; V103-M157 HydrophobicContact CG1-CE 3.7Å
104A98.1Very high98.5Very high65 Ų6551.4 Ų51.454%0.53728%0.279SS..Hα-helixtrans-61.5-44.2176.500000111.8E100 Q101 G107 K108E100-A104 PolarHBondContact O-N 2.8Å; Q101-A104 PolarHBondContact O-N 3.38Å; A104-G107 PolarHBondContact O-N 3.34Å; A104-K108 PolarHBondContact O-N 3Å
105Q98.5Very high98.5Very high104 Ų10448.3 Ų48.349%0.48627%0.265SS..Hα-helixtrans-67.8-42.4178.2-173.4-179.8-3.500112.1I89 Q101 F102 V103 K108 L109I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.61Å; Q101-Q105 WeakPolarHBondContact O-CB 3.36Å; Q101-Q105 PolarHBondContact O-N 2.8Å; F102-Q105 PolarHBondContact O-N 3.49Å; V103-Q105 PolarHBondContact O-N 3.48Å; Q105-K108 PolarHBondContact O-N 2.86Å; Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 2.93Å
106A98.7Very high98.5Very high0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-61.5-44175.700000111.7I38 V62 I89 F102 V103 K108 L109 M110I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.86Å; V62-A106 HydrophobicContact CB-CB 3.99Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.1Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 4.46Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.5Å; V103-A106 PolarHBondContact O-N 3.13Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.04Å; A106-L109 PolarHBondContact O-N 3.43Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.13Å
107G98.1Very high98.5Very high5 Ų542.6 Ų42.65%0.05224%0.235CC..Hα-helixtrans-60.3-40.6174.600000112.8V103 A104 G111 G112 M157V103-G107 PolarHBondContact O-N 3.33Å; A104-G107 PolarHBondContact O-N 3.34Å; G107-G111 CarbonylContact O-C 3.2Å; G107-G111 WeakPolarHBondContact O-CA 3.36Å; G107-G111 PolarHBondContact O-N 3.1Å; G107-G112 PolarHBondContact O-N 3.47Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å
108K98.4Very high98.6Very high184 Ų18438.9 Ų38.980%0.821%0.212SC*.Hα-helixtrans-64.2-42.5174.8-174.2-179.8179.7-179.90112.4A104 Q105 A106 M110 G111A104-K108 PolarHBondContact O-N 3Å; Q105-K108 PolarHBondContact O-N 2.86Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.04Å; K108-M110 PolarHBondContact O-N 3.31Å; K108-G111 PolarHBondContact O-N 3.47Å
109L98.4Very high98.6Very high76 Ų7638.7 Ų38.740%0.39821%0.212SC..Hα-helixtrans-63.5-39.4179.6-74168.4000112.5H87 I89 Q105 A106H87-L109 HydrophobicContact CB-CD1 3.98Å; I89-L109 HydrophobicContact CD1-CD1 4.22Å; Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 2.93Å; A106-L109 PolarHBondContact O-N 3.43Å
110M98.5Very high98.6Very high15 Ų1539.4 Ų39.47%0.07422%0.216CC..Hα-helixtrans-93.7-9.6-178.5-63.5-173-68.500113.8K36 I38 H60 V62 A106 K108 L113K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.18Å; K36-M110 HydrophobicContact CB-SD 3.86Å; K36-M110 HydrophobicContact CD-CB 4.17Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.39Å; K36-M110 WeakPolarHBondContact CE-O 3.47Å; K36-M110 HydrophobicContact CG-CB 3.96Å; I38-M110 HydrophobicContact CG1-CE 3.98Å; H60-M110 HydrophobicContact CB-CG 4.18Å; H60-M110 HydrophobicContact CB-SD 4.03Å; V62-M110 HydrophobicContact CB-CE 4.28Å; V62-M110 HydrophobicContact CB-SD 4.44Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.69Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.13Å; K108-M110 PolarHBondContact O-N 3.31Å; M110-L113 HydrophobicContact CE-CD1 3.71Å
111G98.3Very high98.6Very high56 Ų5637.1 Ų37.158%0.57721%0.207SC*.THydrogen-bonded Turntrans65.339.2-172.400000113.2K36 G107 K108K36-G111 PolarHBondContact NZ-O 3.28Å; G107-G111 CarbonylContact O-C 3.2Å; G107-G111 WeakPolarHBondContact O-CA 3.36Å; G107-G111 PolarHBondContact O-N 3.1Å; K108-G111 PolarHBondContact O-N 3.47Å
112G98.5Very high98.6Very high12 Ų1232 Ų3212%0.12418%0.184CC..SBendtrans135.5-173.4-178.900000113.2G107G107-G112 PolarHBondContact O-N 3.47Å
113L98.9Very high98.5Very high3 Ų336.7 Ų36.72%0.01621%0.209CC..  trans-150.3128179.8-171.767.3000110.5I38 M110 M115 L116 A154 M157 L158 S161I38-L113 HydrophobicContact CB-CD1 4.14Å; I38-L113 HydrophobicContact CD1-CD1 3.67Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.5Å; I38-L113 HydrophobicContact CG1-CD1 3.64Å; M110-L113 HydrophobicContact CE-CD1 3.71Å; L113-M115 WeakPolarHBondContact CD1-O 3.35Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L113-A154 HydrophobicContact CD2-CB 3.75Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.31Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.41Å; L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 4.02Å; L113-L158 HydrophobicContact CD2-CG 4.14Å; L113-L158 HydrophobicContact CG-CD2 3.94Å; L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 2.92Å
114D98.9Very high98.3Very high24 Ų2438.4 Ų38.413%0.12822%0.219CC..SBendtrans-104-34.1175.8-66.5-88.6000112K35 K36 G163 S164K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.84Å; K35-D114 VanDerWaalsContact CD-CG 3.47Å; K35-D114 WeakPolarHBondContact CD-OD1 3.39Å; K35-D114 IonicContact NZ-OD1 3.53Å; K35-D114 PolarHBondContact NZ-OD1 2.78Å; K36-D114 WeakPolarHBondContact CB-OD2 3.3Å; K36-D114 PolarHBondContact N-OD2 3.32Å; K36-D114 PolarHBondContact O-N 2.95Å; D114-G163 CarbonylContact O-C 3.15Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; D114-S164 PolarHBondContact O-N 3.36Å
115M98.9Very high98.1Very high8 Ų838.6 Ų38.64%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-142.7131.1-178.1-172.5177.7-68.700112.3L32 K36 V37 I38 L113 I117 S164 V166 G249 A250L32-M115 HydrophobicContact CD1-CE 4.19Å; K36-M115 PolarHBondContact O-N 2.83Å; K36-M115 VanDerWaalsContact O-N 3.09Å; V37-M115 WeakPolarHBondContact CA-O 3.36Å; V37-M115 HydrophobicContact CB-CB 4.49Å; V37-M115 HydrophobicContact CG1-CB 4.02Å; V37-M115 HydrophobicContact CG1-CG 4.29Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; I38-M115 PolarHBondContact N-O 2.85Å; L113-M115 WeakPolarHBondContact CD1-O 3.35Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact CG-CG1 3.93Å; M115-I117 HydrophobicContact SD-CD1 3.93Å; M115-I117 HydrophobicContact SD-CG1 3.99Å; M115-S164 CarbonylContact C-O 3.24Å; M115-S164 VanDerWaalsContact CA-O 3.29Å; M115-S164 WeakPolarHBondContact CA-O 3.1Å; M115-V166 HydrophobicContact CG-CG2 4.08Å; M115-V166 HydrophobicContact SD-CG2 3.94Å; M115-G249 VanDerWaalsContact CE-C 3.5Å; M115-A250 HydrophobicContact CE-CB 4.41Å
116L98.9Very high97.9Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-109.3110.1173.8176.564.3000109.7I38 L113 L118 L150 A154 L158 S164 V166I38-L116 HydrophobicContact CB-CD1 3.88Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L116-L118 HydrophobicContact CD1-CD2 3.86Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.74Å; L116-L118 HydrophobicContact CG-CG 3.96Å; L116-L150 HydrophobicContact CD2-CB 4.45Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L116-L158 HydrophobicContact CB-CD1 4.22Å; L116-S164 PolarHBondContact N-O 3.16Å; L116-V166 PolarHBondContact O-N 3.01Å
117I98.9Very high97.7Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-100.8107177.7-50.8-173.8000110.6V37 I38 V39 T40 M50 L54 M115 N119 V166V37-I117 HydrophobicContact CG1-CD1 3.89Å; V37-I117 HydrophobicContact CG1-CG1 4Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.38Å; V39-I117 HydrophobicContact CG1-CB 4.38Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.44Å; V39-I117 HydrophobicContact CG2-CD1 4.24Å; T40-I117 PolarHBondContact N-O 3.19Å; T40-I117 PolarHBondContact OG1-O 2.88Å; M50-I117 HydrophobicContact CE-CG2 3.66Å; M50-I117 HydrophobicContact SD-CD1 4.36Å; M50-I117 HydrophobicContact SD-CG2 3.71Å; L54-I117 HydrophobicContact CD1-CD1 4.09Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact CG-CG1 3.93Å; M115-I117 HydrophobicContact SD-CD1 3.93Å; M115-I117 HydrophobicContact SD-CG1 3.99Å; I117-N119 HydrophobicContact CG2-CB 4.45Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.18Å; I117-V166 HydrophobicContact CG1-CG2 4.38Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.36Å
118L98.9Very high97.7Very high0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-9599.3-179.4-56.2177.2000110.3T40 L116 Y147 L150 I165 V166 V167 V168 F194T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.46Å; L116-L118 HydrophobicContact CD1-CD2 3.86Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.74Å; L116-L118 HydrophobicContact CG-CG 3.96Å; L118-Y147 HydrophobicContact CB-CD1 4.38Å; L118-Y147 HydrophobicContact CB-CD2 3.39Å; L118-Y147 HydrophobicContact CB-CE1 4.33Å; L118-Y147 HydrophobicContact CB-CE2 3.32Å; L118-Y147 HydrophobicContact CB-CG 3.94Å; L118-Y147 HydrophobicContact CD1-CD2 3.78Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.16Å; L118-Y147 HydrophobicContact CG-CG 4.41Å; L118-Y147 VanDerWaalsContact O-CE2 3.22Å; L118-Y147 WeakPolarHBondContact O-CE2 3.45Å; L118-Y147 PolarHBondContact O-OH 2.87Å; L118-Y147 VanDerWaalsContact O-OH 3.06Å; L118-L150 HydrophobicContact CD2-CB 3.86Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.33Å; L118-I165 HydrophobicContact CD1-CG2 4.08Å; L118-V166 PolarHBondContact N-O 3.09Å; L118-V167 HydrophobicContact CD1-CG2 4.44Å; L118-V168 PolarHBondContact O-N 3.33Å; L118-F194 HydrophobicContact CD1-CE1 4.37Å; L118-F194 HydrophobicContact CD1-CZ 3.91Å
119N98.9Very high97.6Very high21 Ų2142.9 Ų42.911%0.11224%0.244CC..  trans-127.2-20-169.8161.985000115.3T40 G41 G47 M50 I117 Y147 V168T40-N119 VanDerWaalsContact O-CB 3.32Å; T40-N119 WeakPolarHBondContact O-CB 3.41Å; T40-N119 PolarHBondContact O-ND2 3.39Å; T40-N119 PolarHBondContact OG1-N 2.85Å; G41-N119 PolarHBondContact O-ND2 2.99Å; G47-N119 WeakPolarHBondContact CA-ND2 3.37Å; M50-N119 HydrophobicContact CE-CB 3.71Å; I117-N119 HydrophobicContact CG2-CB 4.45Å; N119-Y147 VanDerWaalsContact CA-OH 3.23Å; N119-Y147 WeakPolarHBondContact CA-OH 3.28Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.16Å; N119-V168 HydrophobicContact CB-CB 4.19Å; N119-V168 HydrophobicContact CB-CG2 3.78Å
120H98.8Very high97.4Very high15 Ų1547.3 Ų47.37%0.06926%0.262CS..  trans-64.9148.1-177.166.3-84.2000113.6T40 M93 V142 S146 Y147T40-H120 WeakPolarHBondContact CB-ND1 3.28Å; T40-H120 PolarHBondContact OG1-N 2.82Å; T40-H120 PolarHBondContact OG1-ND1 2.8Å; M93-H120 VanDerWaalsContact CB-CD2 3.48Å; M93-H120 WeakPolarHBondContact CB-CD2 3.35Å; M93-H120 WeakPolarHBondContact CB-NE2 3.21Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.33Å; H120-V142 PolarHBondContact CD2-O 3.4Å; H120-V142 PolarHBondContact NE2-O 3.46Å; H120-S146 PolarHBondContact NE2-OG 3.49Å; H120-Y147 AromaticContact CD2-CE1 3.94Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.49Å; H120-Y147 AromaticContact CE1-CE1 3.25Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.27Å; H120-Y147 PolarHBondContact N-OH 2.98Å; H120-Y147 AromaticContact ND1-CE1 3.58Å; H120-Y147 AromaticContact NE2-CD1 3.73Å; H120-Y147 AromaticContact NE2-CE1 3.5Å; H120-Y147 WeakPolarHBondContact NE2-CE1 3.21Å; H120-Y147 WeakPolarHBondContact O-CE1 3.39Å; H120-Y147 PolarHBondContact O-OH 3.41Å
121I98.7Very high97.1Very high71 Ų7152.9 Ų52.936%0.36429%0.293SS..  trans-136.6156.7168.859.3171.5000109.7N143 Y183I121-N143 VanDerWaalsContact CA-OD1 3.25Å; I121-N143 WeakPolarHBondContact CA-OD1 3.33Å; I121-Y183 HydrophobicContact CD1-CE2 4.06Å; I121-Y183 HydrophobicContact CG2-CE2 4.3Å
122T98.2Very high97Very high12 Ų1254 Ų547%0.07429%0.285CS..  trans-67.1154.7164.3-166.50000110.3T124 K138 N143T122-T124 PolarHBondContact O-N 3.49Å; T122-T124 PolarHBondContact O-OG1 2.98Å; T122-T124 VanDerWaalsContact O-OG1 3.11Å; T122-K138 VanDerWaalsContact OG1-CE 3.25Å; T122-K138 WeakPolarHBondContact OG1-CE 3.25Å; T122-N143 PolarHBondContact N-OD1 2.96Å
123N96.5Very high96.9Very high100 Ų10057.5 Ų57.554%0.53530%0.3SS..  trans-59.9127.7177.3-71.5-16000109.5H135N123-H135 PolarHBondContact O-CE1 3.05Å
124T94.9Very high96.9Very high35 Ų3563.3 Ų63.322%0.21533%0.327CS..  trans-132.9136.7-176.8-55.30000108.6T122 Y183T122-T124 PolarHBondContact O-N 3.49Å; T122-T124 PolarHBondContact O-OG1 2.98Å; T122-T124 VanDerWaalsContact O-OG1 3.11Å; T124-Y183 HydrophobicContact CG2-CG 4.41Å
125S92.9Very high96.8Very high69 Ų6964.2 Ų64.248%0.48333%0.331SS..  trans-123.3160172.657.90000110.4N127S125-N127 PolarHBondContact O-N 3.43Å; S125-N127 PolarHBondContact OG-ND2 3.44Å
126L95.2Very high96.8Very high28 Ų2866 Ų6615%0.14734%0.342CS..  trans-77.1111.5176.4-59.9-175.3000109.9M179 V180 A226 V227 I230 V231L126-M179 HydrophobicContact CB-CB 3.96Å; L126-M179 HydrophobicContact CD2-CB 4.25Å; L126-V180 HydrophobicContact CD2-CG1 3.34Å; L126-A226 WeakPolarHBondContact CD1-O 3.23Å; L126-V227 HydrophobicContact CD1-CG1 4.31Å; L126-I230 HydrophobicContact CB-CD1 3.95Å; L126-I230 HydrophobicContact CD1-CB 4.03Å; L126-I230 HydrophobicContact CD1-CD1 4.19Å; L126-I230 HydrophobicContact CD1-CG2 3.76Å; L126-V231 HydrophobicContact CD1-CG2 3.88Å
127N94.9Very high96.8Very high102 Ų10272.9 Ų72.955%0.54537%0.368SS..  trans-146.5147176.2-74.4-55.6000110.9S125 F129 M179S125-N127 PolarHBondContact O-N 3.43Å; S125-N127 PolarHBondContact OG-ND2 3.44Å; N127-F129 PolarHBondContact O-N 3.39Å; N127-M179 VanDerWaalsContact C-SD 3.58Å; N127-M179 PolarHBondContact N-O 3.47Å; N127-M179 VanDerWaalsContact N-O 3.13Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.25Å
128L96.5Very high96.7Very high135 Ų13575.2 Ų75.271%0.70738%0.378SS*.  trans-60.9137.2165.6-69.4174.8000108.6H130 M179L128-H130 PolarHBondContact O-N 2.78Å; L128-M179 HydrophobicContact CB-SD 4.32Å; L128-M179 HydrophobicContact CD2-SD 3.46Å; L128-M179 WeakPolarHBondContact CD2-SD 3.23Å; L128-M179 HydrophobicContact CG-CE 4.37Å; L128-M179 HydrophobicContact CG-SD 3.58Å; L128-M179 VanDerWaalsContact CG-SD 3.58Å; L128-M179 PolarHBondContact N-SD 3.21Å; L128-M179 VanDerWaalsContact N-SD 3.36Å
129F96.6Very high96.7Very high118 Ų11875.2 Ų75.252%0.51838%0.378SS..  trans-69.1122.7177.8176.1-101.3000110N127 I133 V136 A181N127-F129 PolarHBondContact O-N 3.39Å; F129-I133 HydrophobicContact CZ-CD1 4.22Å; F129-V136 HydrophobicContact CD2-CG2 4.4Å; F129-V136 HydrophobicContact CE2-CG2 3.69Å; F129-V136 HydrophobicContact CZ-CG2 4.46Å; F129-A181 HydrophobicContact CB-CB 4.42Å
130H95.2Very high96.7Very high169 Ų16977 Ų7778%0.78239%0.386SS*.  trans-146.499.2174.3-171.871.7000109.8L128 D132L128-H130 PolarHBondContact O-N 2.78Å; H130-D132 PolarHBondContact O-N 3.03Å
131D91.8Very high96.7Very high133 Ų13379.6 Ų79.671%0.71140%0.398SS*.SBendtrans50.818.1173-152.125000117.8I133D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.83Å
132D95.5Very high96.7Very high79 Ų7976.6 Ų76.642%0.42238%0.383SS..  trans-86.364.8177.3-165.1-9.4000111.9H130 H134 H135 V136H130-D132 PolarHBondContact O-N 3.03Å; D132-H134 PolarHBondContact O-N 3.2Å; D132-H135 HydrophobicContact CB-CB 4.25Å; D132-H135 PolarHBondContact O-N 3.48Å; D132-H135 VanDerWaalsContact OD1-CB 3.29Å; D132-H135 WeakPolarHBondContact OD1-CB 3.48Å; D132-H135 PolarHBondContact OD1-N 3.28Å; D132-H135 WeakPolarHBondContact OD2-CB 3.35Å; D132-V136 PolarHBondContact O-N 2.83Å
133I97.4Very high96.7Very high85 Ų8576 Ų7644%0.43638%0.38SS..Hα-helixtrans-61.9-30.1176.7-60.2-60.1000111.5F129 D131 V136 R137F129-I133 HydrophobicContact CZ-CD1 4.22Å; D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.83Å; I133-V136 PolarHBondContact O-N 3Å; I133-R137 PolarHBondContact O-N 2.85Å
134H97.8Very high96.9Very high126 Ų12673 Ų7358%0.58336%0.362SS*.Hα-helixtrans-61.7-48.1176.2179.573.5000111.1D132 V136 R137 K138D132-H134 PolarHBondContact O-N 3.2Å; H134-V136 VanDerWaalsContact C-N 3.34Å; H134-V136 PolarHBondContact O-N 3.03Å; H134-R137 PolarHBondContact O-N 3.09Å; H134-K138 VanDerWaalsContact O-CB 3.32Å; H134-K138 WeakPolarHBondContact O-CB 3.24Å; H134-K138 PolarHBondContact O-N 2.98Å
135H97.7Very high97.1Very high43 Ų4375 Ų7520%0.19937%0.371CS..Hα-helixtrans-64.9-35.9176.9-17763.9000112.7N123 D132 S139N123-H135 PolarHBondContact O-CE1 3.05Å; D132-H135 HydrophobicContact CB-CB 4.25Å; D132-H135 PolarHBondContact O-N 3.48Å; D132-H135 VanDerWaalsContact OD1-CB 3.29Å; D132-H135 WeakPolarHBondContact OD1-CB 3.48Å; D132-H135 PolarHBondContact OD1-N 3.28Å; D132-H135 WeakPolarHBondContact OD2-CB 3.35Å; H135-S139 VanDerWaalsContact O-CB 3.24Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.82Å; H135-S139 PolarHBondContact O-OG 2.91Å
136V98.4Very high97.3Very high45 Ų4571.7 Ų71.727%0.27335%0.348SS..Hα-helixtrans-60.3-52173.41760000110.8F129 D132 I133 H134 S139 M140 A182F129-V136 HydrophobicContact CD2-CG2 4.4Å; F129-V136 HydrophobicContact CE2-CG2 3.69Å; F129-V136 HydrophobicContact CZ-CG2 4.46Å; D132-V136 PolarHBondContact O-N 2.83Å; I133-V136 PolarHBondContact O-N 3Å; H134-V136 VanDerWaalsContact C-N 3.34Å; H134-V136 PolarHBondContact O-N 3.03Å; V136-S139 PolarHBondContact O-N 2.9Å; V136-M140 WeakPolarHBondContact O-CG 3.32Å; V136-M140 PolarHBondContact O-N 3.25Å; V136-A182 HydrophobicContact CB-CB 4.45Å; V136-A182 HydrophobicContact CG2-CB 3.93Å
137R98.5Very high97.5Very high144 Ų14470.4 Ų70.454%0.54334%0.341SS..Hα-helixtrans-60.6-49.4179.1-176.4179.3-62124.83.9111.5I133 H134 S139 M140 E141I133-R137 PolarHBondContact O-N 2.85Å; H134-R137 PolarHBondContact O-N 3.09Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.16Å; R137-M140 PolarHBondContact O-N 2.86Å; R137-M140 VanDerWaalsContact O-N 3.08Å; R137-E141 WeakPolarHBondContact CD-OE1 3.31Å; R137-E141 HydrophobicContact CG-CG 4.41Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.13Å; R137-E141 PolarHBondContact O-N 3.34Å
138K98.5Very high97.7Very high49 Ų4966.6 Ų66.621%0.21332%0.321CS..Hα-helixtrans-60.2-37.2179-176.7169.1177.6136.80112.3E94 T122 H134 V142E94-K138 WeakPolarHBondContact OE1-CE 3.36Å; E94-K138 IonicContact OE1-NZ 2.75Å; E94-K138 PolarHBondContact OE1-NZ 2.66Å; E94-K138 IonicContact OE2-NZ 3.55Å; E94-K138 PolarHBondContact OE2-NZ 3.42Å; T122-K138 VanDerWaalsContact OG1-CE 3.25Å; T122-K138 WeakPolarHBondContact OG1-CE 3.25Å; H134-K138 VanDerWaalsContact O-CB 3.32Å; H134-K138 WeakPolarHBondContact O-CB 3.24Å; H134-K138 PolarHBondContact O-N 2.98Å; K138-V142 HydrophobicContact CG-CG2 4.31Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 3.09Å
139S98.6Very high97.8Very high0 Ų061.8 Ų61.80%030%0.298CS..Hα-helixtrans-65.3-41.9174.5-63.50000111.8H135 V136 R137 N143H135-S139 VanDerWaalsContact O-CB 3.24Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.82Å; H135-S139 PolarHBondContact O-OG 2.91Å; V136-S139 PolarHBondContact O-N 2.9Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.16Å; S139-N143 WeakPolarHBondContact O-CA 3.19Å; S139-N143 WeakPolarHBondContact O-CB 3.34Å; S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.18Å
140M98.8Very high97.9Very high59 Ų5956.2 Ų56.229%0.29127%0.273SS..Hα-helixtrans-67.9-39.2176-68.5-54.4-63.200112.6V136 R137 F144 L145 S186 A189V136-M140 WeakPolarHBondContact O-CG 3.32Å; V136-M140 PolarHBondContact O-N 3.25Å; R137-M140 PolarHBondContact O-N 2.86Å; R137-M140 VanDerWaalsContact O-N 3.08Å; M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 3.83Å; M140-F144 HydrophobicContact CE-CG 4.17Å; M140-F144 WeakPolarHBondContact O-CB 3.32Å; M140-F144 PolarHBondContact O-N 3.26Å; M140-L145 PolarHBondContact O-N 3.14Å; M140-S186 VanDerWaalsContact SD-CA 3.55Å; M140-A189 HydrophobicContact CE-CB 3.8Å
141E98.7Very high98.1Very high70 Ų7048.3 Ų48.333%0.32724%0.237SC..Iπ-helixtrans-65.3-54.4177.1-73.4170.9-174.400111.3M96 R137 L145 S146M96-E141 HydrophobicContact CE-CB 4.29Å; M96-E141 WeakPolarHBondContact CE-O 3.45Å; R137-E141 WeakPolarHBondContact CD-OE1 3.31Å; R137-E141 HydrophobicContact CG-CG 4.41Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.13Å; R137-E141 PolarHBondContact O-N 3.34Å; E141-L145 PolarHBondContact O-N 3.29Å; E141-S146 PolarHBondContact O-N 2.69Å
142V98.8Very high98.4Very high8 Ų846.8 Ų46.85%0.04823%0.232CC..Iπ-helixtrans-78.6-39.3-172.8178.90000113.2M93 E94 H120 K138 S146M93-V142 HydrophobicContact CB-CG1 4.41Å; E94-V142 HydrophobicContact CB-CG2 4.26Å; E94-V142 HydrophobicContact CG-CG2 3.28Å; H120-V142 PolarHBondContact CD2-O 3.4Å; H120-V142 PolarHBondContact NE2-O 3.46Å; K138-V142 HydrophobicContact CG-CG2 4.31Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 2.92Å
143N98.8Very high98.6Very high0 Ų044.4 Ų44.40%022%0.223CC..Iπ-helixtrans-91.8-14.6-172.2-50.8-12.7000112.5I121 T122 S139 S186I121-N143 VanDerWaalsContact CA-OD1 3.25Å; I121-N143 WeakPolarHBondContact CA-OD1 3.33Å; T122-N143 PolarHBondContact N-OD1 2.96Å; S139-N143 WeakPolarHBondContact O-CA 3.19Å; S139-N143 WeakPolarHBondContact O-CB 3.34Å; S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.18Å; N143-S186 WeakPolarHBondContact CB-OG 3.37Å; N143-S186 PolarHBondContact ND2-OG 3Å; N143-S186 VanDerWaalsContact ND2-OG 3.08Å
144F98.9Very high98.7Very high37 Ų3740.3 Ų40.316%0.16220%0.202CC..Iπ-helixtrans-129.7-59.6-175.1170.1-103.3000112.9M140 S146 Y147 V148 A189 L190 F193M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 3.83Å; M140-F144 HydrophobicContact CE-CG 4.17Å; M140-F144 WeakPolarHBondContact O-CB 3.32Å; M140-F144 PolarHBondContact O-N 3.26Å; F144-S146 PolarHBondContact O-N 2.69Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.38Å; F144-Y147 PolarHBondContact O-N 3.04Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; F144-V148 HydrophobicContact CE1-CG2 4.44Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 4.01Å; F144-V148 PolarHBondContact O-N 3.32Å; F144-A189 HydrophobicContact CB-CB 4.49Å; F144-A189 HydrophobicContact CD1-CB 4.35Å; F144-A189 HydrophobicContact CD2-CB 3.62Å; F144-A189 HydrophobicContact CE2-CB 3.87Å; F144-A189 WeakPolarHBondContact CE2-O 3.25Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; F144-L190 HydrophobicContact CD2-CD2 3.94Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; F144-F193 HydrophobicContact CE2-CB 3.62Å; F144-F193 HydrophobicContact CE2-CG 4.06Å; F144-F193 HydrophobicContact CZ-CB 4.06Å; F144-F193 HydrophobicContact CZ-CD2 4.3Å; F144-F193 HydrophobicContact CZ-CG 4.25Å
145L98.8Very high98.7Very high76 Ų7635.8 Ų35.840%0.39818%0.182SC..Iπ-helixtrans-65.5-42-172.3-170.862.3000112.1M96 M140 E141 Y147 V148 V149M96-L145 HydrophobicContact CE-CB 4.42Å; M96-L145 HydrophobicContact SD-CD2 4.43Å; M96-L145 HydrophobicContact SD-CG 4.18Å; M140-L145 PolarHBondContact O-N 3.14Å; E141-L145 PolarHBondContact O-N 3.29Å; L145-Y147 PolarHBondContact O-N 2.93Å; L145-V148 WeakPolarHBondContact O-CB 3.33Å; L145-V148 PolarHBondContact O-N 3.05Å; L145-V148 VanDerWaalsContact O-N 3.08Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.47Å
146S98.9Very high98.7Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-58.2-35.817469.70000112.1M93 H120 E141 V142 F144 V148 V149 L150M93-S146 WeakPolarHBondContact O-CB 3.36Å; H120-S146 PolarHBondContact NE2-OG 3.49Å; E141-S146 PolarHBondContact O-N 2.69Å; V142-S146 PolarHBondContact O-OG 2.92Å; F144-S146 PolarHBondContact O-N 2.69Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 2.56Å; S146-V149 PolarHBondContact O-N 3.18Å; S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 WeakPolarHBondContact O-CD1 3.22Å; S146-L150 WeakPolarHBondContact O-CG 3.29Å; S146-L150 PolarHBondContact O-N 3.49Å
147Y98.9Very high98.8Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-65.7-38.3177.5-8041.2000110.9L118 N119 H120 F144 L145 T151 V167 L190 F194L118-Y147 HydrophobicContact CB-CD1 4.38Å; L118-Y147 HydrophobicContact CB-CD2 3.39Å; L118-Y147 HydrophobicContact CB-CE1 4.33Å; L118-Y147 HydrophobicContact CB-CE2 3.32Å; L118-Y147 HydrophobicContact CB-CG 3.94Å; L118-Y147 HydrophobicContact CD1-CD2 3.78Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.16Å; L118-Y147 HydrophobicContact CG-CG 4.41Å; L118-Y147 VanDerWaalsContact O-CE2 3.22Å; L118-Y147 WeakPolarHBondContact O-CE2 3.45Å; L118-Y147 PolarHBondContact O-OH 2.87Å; L118-Y147 VanDerWaalsContact O-OH 3.06Å; N119-Y147 VanDerWaalsContact CA-OH 3.23Å; N119-Y147 WeakPolarHBondContact CA-OH 3.28Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.16Å; H120-Y147 AromaticContact CD2-CE1 3.94Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.49Å; H120-Y147 AromaticContact CE1-CE1 3.25Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.27Å; H120-Y147 PolarHBondContact N-OH 2.98Å; H120-Y147 AromaticContact ND1-CE1 3.58Å; H120-Y147 AromaticContact NE2-CD1 3.73Å; H120-Y147 AromaticContact NE2-CE1 3.5Å; H120-Y147 WeakPolarHBondContact NE2-CE1 3.21Å; H120-Y147 WeakPolarHBondContact O-CE1 3.39Å; H120-Y147 PolarHBondContact O-OH 3.41Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.38Å; F144-Y147 PolarHBondContact O-N 3.04Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; L145-Y147 PolarHBondContact O-N 2.93Å; Y147-T151 VanDerWaalsContact O-CB 3.31Å; Y147-T151 WeakPolarHBondContact O-CB 3.22Å; Y147-T151 PolarHBondContact O-N 3.24Å; Y147-T151 PolarHBondContact O-OG1 2.81Å; Y147-V167 HydrophobicContact CD2-CG1 4.04Å; Y147-V167 HydrophobicContact CE2-CG1 4.09Å; Y147-L190 HydrophobicContact CD2-CD1 4.14Å; Y147-L190 HydrophobicContact CD2-CD2 3.42Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.42Å; Y147-L190 HydrophobicContact CD2-CG 4.46Å; Y147-L190 HydrophobicContact CE2-CD1 3.99Å; Y147-L190 HydrophobicContact CE2-CD2 4.12Å; Y147-L190 HydrophobicContact CG-CD2 3.91Å; Y147-F194 HydrophobicContact CD2-CE2 4.43Å
148V98.9Very high98.8Very high22 Ų2230.6 Ų30.613%0.13317%0.169CC..Hα-helixtrans-64.3-48.5173.8179.10000110.1F144 L145 S146 L150 T151 V152 F193F144-V148 HydrophobicContact CE1-CG2 4.44Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 4.01Å; F144-V148 PolarHBondContact O-N 3.32Å; L145-V148 WeakPolarHBondContact O-CB 3.33Å; L145-V148 PolarHBondContact O-N 3.05Å; L145-V148 VanDerWaalsContact O-N 3.08Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 2.56Å; V148-L150 PolarHBondContact O-N 3.04Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.82Å; V148-T151 VanDerWaalsContact O-N 3.15Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.75Å; V148-F193 HydrophobicContact CB-CE1 4.32Å; V148-F193 HydrophobicContact CB-CZ 4.27Å; V148-F193 HydrophobicContact CG1-CE1 4.06Å; V148-F193 HydrophobicContact CG1-CE2 4.14Å; V148-F193 HydrophobicContact CG1-CZ 3.57Å; V148-F193 HydrophobicContact CG2-CD1 3.9Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.68Å; V148-F193 HydrophobicContact CG2-CE2 4.14Å; V148-F193 HydrophobicContact CG2-CG 4.22Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å
149V98.8Very high98.8Very high35 Ų3533 Ų3321%0.21218%0.18CC..Hα-helixtrans-60.2-47.4179.3174.90000111.6M96 A99 E100 L145 S146 T151 V152 A153M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.37Å; M96-V149 HydrophobicContact SD-CB 4.36Å; M96-V149 HydrophobicContact SD-CG2 3.78Å; A99-V149 HydrophobicContact CB-CB 4.47Å; A99-V149 HydrophobicContact CB-CG1 3.99Å; E100-V149 HydrophobicContact CB-CG1 4.15Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.47Å; S146-V149 PolarHBondContact O-N 3.18Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.38Å; V149-V152 PolarHBondContact O-N 3.07Å; V149-A153 PolarHBondContact O-N 3.46Å
150L98.9Very high98.8Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.2-40.2175.7-69.5166.4000111.8T40 M93 A99 F102 V103 L116 L118 S146 V148 A154T40-L150 HydrophobicContact CG2-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4Å; M93-L150 HydrophobicContact SD-CD2 4.34Å; A99-L150 HydrophobicContact CB-CD2 4.01Å; A99-L150 HydrophobicContact CB-CG 4.14Å; A99-L150 VanDerWaalsContact O-CD2 3.29Å; A99-L150 WeakPolarHBondContact O-CD2 3.45Å; F102-L150 HydrophobicContact CD1-CD2 3.74Å; F102-L150 HydrophobicContact CE1-CD2 4.3Å; V103-L150 HydrophobicContact CG2-CB 4.39Å; V103-L150 HydrophobicContact CG2-CD2 3.48Å; V103-L150 VanDerWaalsContact CG2-CD2 3.48Å; L116-L150 HydrophobicContact CD2-CB 4.45Å; L118-L150 HydrophobicContact CD2-CB 3.86Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.33Å; S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 WeakPolarHBondContact O-CD1 3.22Å; S146-L150 WeakPolarHBondContact O-CG 3.29Å; S146-L150 PolarHBondContact O-N 3.49Å; V148-L150 PolarHBondContact O-N 3.04Å; L150-A154 WeakPolarHBondContact O-CB 3.18Å; L150-A154 PolarHBondContact O-N 2.84Å
151T98.9Very high98.7Very high4 Ų439.9 Ų39.93%0.02522%0.215CC..Hα-helixtrans-64.3-47.2177.7-64.90000111.5Y147 V148 V149 A153 A154 L155 I165 F194 I197Y147-T151 VanDerWaalsContact O-CB 3.31Å; Y147-T151 WeakPolarHBondContact O-CB 3.22Å; Y147-T151 PolarHBondContact O-N 3.24Å; Y147-T151 PolarHBondContact O-OG1 2.81Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.82Å; V148-T151 VanDerWaalsContact O-N 3.15Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.38Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.75Å; T151-A154 PolarHBondContact O-N 2.82Å; T151-L155 WeakPolarHBondContact O-CB 3.25Å; T151-L155 PolarHBondContact O-N 3.5Å; T151-I165 HydrophobicContact CG2-CD1 3.68Å; T151-F194 HydrophobicContact CG2-CE1 4.25Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.48Å; T151-F194 WeakPolarHBondContact OG1-CZ 3.41Å; T151-I197 HydrophobicContact CG2-CD1 4.33Å
152V98.8Very high98.7Very high101 Ų10140.5 Ų40.561%0.61222%0.221SC*.Hα-helixtrans-59-47.2177.6172.10000110.6V148 V149 A154 L155V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.75Å; V149-V152 PolarHBondContact O-N 3.07Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.33Å; V152-L155 PolarHBondContact O-N 2.83Å
153A98.8Very high98.7Very high28 Ų2840.3 Ų40.323%0.23122%0.22CC..Hα-helixtrans-65.5-33.9179.700000113.1E100 V103 V149 T151E100-A153 HydrophobicContact CG-CB 4.38Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 4.01Å; V103-A153 HydrophobicContact CG2-CB 4.19Å; V149-A153 PolarHBondContact O-N 3.46Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.75Å
154A98.8Very high98.7Very high0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-83.1-25.4-177.800000113.7V103 L113 L116 L150 T151 V152 P156 M157 L158V103-A154 HydrophobicContact CG1-CB 3.81Å; L113-A154 HydrophobicContact CD2-CB 3.75Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L150-A154 WeakPolarHBondContact O-CB 3.18Å; L150-A154 PolarHBondContact O-N 2.84Å; T151-A154 PolarHBondContact O-N 2.82Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.33Å; A154-P156 VanDerWaalsContact C-CD 3.46Å; A154-M157 PolarHBondContact O-N 3.37Å; A154-M157 VanDerWaalsContact O-N 3.1Å; A154-L158 HydrophobicContact CB-CD1 3.86Å; A154-L158 HydrophobicContact CB-CG 4.32Å; A154-L158 WeakPolarHBondContact O-CG 3.5Å; A154-L158 PolarHBondContact O-N 3.06Å
155L98.7Very high98.7Very high30 Ų3038.9 Ų38.916%0.15722%0.215CC..Hα-helixtrans-55.3-40.2-169.1-172.160.6000114.2T151 V152 M157 L158 K159 Y201 V206 V208T151-L155 WeakPolarHBondContact O-CB 3.25Å; T151-L155 PolarHBondContact O-N 3.5Å; V152-L155 PolarHBondContact O-N 2.83Å; L155-M157 PolarHBondContact O-N 3.11Å; L155-L158 PolarHBondContact O-N 3.27Å; L155-K159 HydrophobicContact CD1-CD 4.5Å; L155-K159 HydrophobicContact CD1-CG 4.15Å; L155-K159 HydrophobicContact CG-CD 4.17Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.49Å; L155-K159 WeakPolarHBondContact O-CG 3.48Å; L155-K159 PolarHBondContact O-N 3.39Å; L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.99Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.48Å; L155-Y201 HydrophobicContact CD2-CE1 4.31Å; L155-Y201 VanDerWaalsContact CD2-OH 3.3Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.47Å; L155-V206 HydrophobicContact CD1-CG1 4.49Å; L155-V208 HydrophobicContact CD1-CG2 4.19Å
156P98.6Very high98.7Very high88 Ų8835.3 Ų35.357%0.57120%0.196SC*.Hα-helixtrans-58.7-44.3176.6-25.936000113.3A154 Q160A154-P156 VanDerWaalsContact C-CD 3.46Å; P156-Q160 PolarHBondContact O-N 3.32Å
157M98.7Very high98.7Very high36 Ų3635.3 Ų35.318%0.17720%0.196CC..Hα-helixtrans-70.7-39.9178.6-67.6-175-7800111.9V103 G107 L113 A154 L155 K159 Q160 S161V103-M157 HydrophobicContact CG1-CE 3.7Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.31Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.41Å; A154-M157 PolarHBondContact O-N 3.37Å; A154-M157 VanDerWaalsContact O-N 3.1Å; L155-M157 PolarHBondContact O-N 3.11Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.69Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.12Å; M157-S161 PolarHBondContact O-OG 2.88Å
158L98.8Very high98.7Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-66.1-36.2177.2-66.9172.7000111.9L113 L116 A154 L155 Q160 S161 N162 G163 I165 V208L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 4.02Å; L113-L158 HydrophobicContact CD2-CG 4.14Å; L113-L158 HydrophobicContact CG-CD2 3.94Å; L116-L158 HydrophobicContact CB-CD1 4.22Å; A154-L158 HydrophobicContact CB-CD1 3.86Å; A154-L158 HydrophobicContact CB-CG 4.32Å; A154-L158 WeakPolarHBondContact O-CG 3.5Å; A154-L158 PolarHBondContact O-N 3.06Å; L155-L158 PolarHBondContact O-N 3.27Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.32Å; L158-S161 PolarHBondContact O-N 3.08Å; L158-S161 PolarHBondContact O-OG 2.97Å; L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.42Å; L158-N162 PolarHBondContact O-N 3.28Å; L158-G163 PolarHBondContact O-N 2.72Å; L158-I165 HydrophobicContact CD1-CD1 4.09Å; L158-I165 HydrophobicContact CD1-CG1 3.57Å; L158-V208 HydrophobicContact CB-CG1 4.1Å; L158-V208 HydrophobicContact CB-CG2 3.91Å; L158-V208 HydrophobicContact CD1-CG1 4.31Å
159K98.5Very high98.7Very high100 Ų10034.8 Ų34.844%0.43519%0.193SC..Hα-helixtrans-61.7-38.9172.2-80179.1174.9-174.70111.7L155 M157 V206 V208L155-K159 HydrophobicContact CD1-CD 4.5Å; L155-K159 HydrophobicContact CD1-CG 4.15Å; L155-K159 HydrophobicContact CG-CD 4.17Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.49Å; L155-K159 WeakPolarHBondContact O-CG 3.48Å; L155-K159 PolarHBondContact O-N 3.39Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3Å; K159-V206 HydrophobicContact CD-CG1 4.42Å; K159-V206 HydrophobicContact CG-CG1 3.99Å; K159-V208 HydrophobicContact CG-CG2 4.13Å
160Q98.4Very high98.7Very high168 Ų16834 Ų3479%0.78519%0.189SC*.Hα-helixtrans-67.4-36.8178.2-1721799.900112.6P156 M157 L158P156-Q160 PolarHBondContact O-N 3.32Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.69Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.32Å
161S98.4Very high98.7Very high35 Ų3534.7 Ų34.725%0.24519%0.193CC..Hα-helixtrans-91.4-4.3-17960.70000114.4L113 M157 L158 G163L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 2.92Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.12Å; M157-S161 PolarHBondContact O-OG 2.88Å; L158-S161 PolarHBondContact O-N 3.08Å; L158-S161 PolarHBondContact O-OG 2.97Å; S161-G163 PolarHBondContact O-N 2.92Å; S161-G163 PolarHBondContact OG-N 3.05Å
162N98.6Very high98.6Very high82 Ų8234.8 Ų34.844%0.43919%0.194SC..THydrogen-bonded Turntrans52.238.7-163.8-60.4-45.6000112.5L158 N207 R252L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.42Å; L158-N162 PolarHBondContact O-N 3.28Å; N162-N207 CarbonylContact C-O 3.56Å; N162-N207 VanDerWaalsContact C-O 3.24Å; N162-N207 WeakPolarHBondContact CA-O 3.42Å; N162-N207 HydrophobicContact CB-CB 4.34Å; N162-N207 WeakPolarHBondContact CB-ND2 3.42Å; N162-N207 WeakPolarHBondContact OD1-CB 3.35Å; N162-N207 PolarHBondContact OD1-ND2 2.91Å; N162-R252 PolarHBondContact O-NH1 2.99Å; N162-R252 PolarHBondContact O-NH2 3.32Å
163G98.6Very high98.6Very high4 Ų430 Ų304%0.04117%0.165CC..  trans-70.2-168.1-167.300000115.8D114 L158 S161 V208 S209 R252D114-G163 CarbonylContact O-C 3.15Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; L158-G163 PolarHBondContact O-N 2.72Å; S161-G163 PolarHBondContact O-N 2.92Å; S161-G163 PolarHBondContact OG-N 3.05Å; G163-V208 WeakPolarHBondContact O-CA 3.34Å; G163-S209 PolarHBondContact O-N 3.05Å; G163-S209 VanDerWaalsContact O-N 3.08Å; G163-R252 PolarHBondContact O-NH1 3.29Å
164S98.9Very high98.5Very high8 Ų830.4 Ų30.46%0.05616%0.162CC..EExtended strand (participates in β ladder)trans-128.3140.9-176.6-57.60000111.7D114 M115 L116 S209 G249 R252D114-S164 PolarHBondContact O-N 3.36Å; M115-S164 CarbonylContact C-O 3.24Å; M115-S164 VanDerWaalsContact CA-O 3.29Å; M115-S164 WeakPolarHBondContact CA-O 3.1Å; L116-S164 PolarHBondContact N-O 3.16Å; S164-S209 WeakPolarHBondContact CA-OG 3.34Å; S164-S209 VanDerWaalsContact CB-OG 3.25Å; S164-S209 WeakPolarHBondContact CB-OG 3.49Å; S164-S209 PolarHBondContact OG-OG 2.76Å; S164-G249 PolarHBondContact OG-O 2.84Å; S164-R252 PolarHBondContact OG-NH1 3.3Å
165I98.9Very high98.5Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-106.9127.1166.4-56.5169.7000107.8L118 T151 L158 V167 F194 V208 S209 I210 T211L118-I165 HydrophobicContact CD1-CG2 4.08Å; T151-I165 HydrophobicContact CG2-CD1 3.68Å; L158-I165 HydrophobicContact CD1-CD1 4.09Å; L158-I165 HydrophobicContact CD1-CG1 3.57Å; I165-V167 HydrophobicContact CG2-CG2 3.96Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; I165-V208 HydrophobicContact CD1-CG1 4Å; I165-V208 HydrophobicContact CG1-CG1 3.95Å; I165-S209 PolarHBondContact N-O 3.07Å; I165-I210 HydrophobicContact CB-CG1 4.35Å; I165-I210 HydrophobicContact CD1-CG1 4.33Å; I165-I210 CarbonylContact O-C 3.56Å; I165-I210 WeakPolarHBondContact O-CA 3.43Å; I165-T211 PolarHBondContact O-N 3.46Å
166V98.9Very high98.4Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-115.2118.7177.5-176.40000108.6M115 L116 I117 L118 T211 I245M115-V166 HydrophobicContact CG-CG2 4.08Å; M115-V166 HydrophobicContact SD-CG2 3.94Å; L116-V166 PolarHBondContact O-N 3.01Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.18Å; I117-V166 HydrophobicContact CG1-CG2 4.38Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.36Å; L118-V166 PolarHBondContact N-O 3.09Å; V166-T211 WeakPolarHBondContact CA-O 3.37Å; V166-I245 HydrophobicContact CG1-CG2 3.54Å
167V98.9Very high98.4Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-111.4108.1-174.5-177.20000109L118 Y147 I165 S169 L190 F194 I210 T211 L212 C213L118-V167 HydrophobicContact CD1-CG2 4.44Å; Y147-V167 HydrophobicContact CD2-CG1 4.04Å; Y147-V167 HydrophobicContact CE2-CG1 4.09Å; I165-V167 HydrophobicContact CG2-CG2 3.96Å; V167-S169 PolarHBondContact O-N 2.87Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.96Å; V167-L190 HydrophobicContact CG1-CD2 4.04Å; V167-L190 HydrophobicContact CG1-CG 4.31Å; V167-F194 HydrophobicContact CG1-CD2 4.06Å; V167-F194 HydrophobicContact CG1-CE2 4.26Å; V167-F194 HydrophobicContact CG2-CB 4.41Å; V167-F194 HydrophobicContact CG2-CD1 3.62Å; V167-F194 HydrophobicContact CG2-CD2 3.95Å; V167-F194 HydrophobicContact CG2-CE1 3.78Å; V167-F194 HydrophobicContact CG2-CE2 4.09Å; V167-F194 HydrophobicContact CG2-CG 3.72Å; V167-F194 HydrophobicContact CG2-CZ 4.01Å; V167-I210 HydrophobicContact CG2-CG2 4.46Å; V167-T211 PolarHBondContact N-O 2.94Å; V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.77Å; V167-C213 PolarHBondContact O-N 3.05Å
168V98.9Very high98.3Very high9 Ų940.1 Ų40.16%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-80.8111.5178.3-176.10000110.4L118 N119 K187 L215 I245L118-V168 PolarHBondContact O-N 3.33Å; N119-V168 HydrophobicContact CB-CB 4.19Å; N119-V168 HydrophobicContact CB-CG2 3.78Å; V168-K187 PolarHBondContact O-NZ 2.91Å; V168-L215 HydrophobicContact CG1-CD1 3.48Å; V168-L215 VanDerWaalsContact CG1-CD1 3.48Å; V168-L215 HydrophobicContact CG1-CG 4.26Å; V168-I245 HydrophobicContact CG2-CD1 4.28Å; V168-I245 HydrophobicContact CG2-CG2 4.35Å
169S98.6Very high98.2Very high3 Ų342.9 Ų42.92%0.02124%0.236CC..  trans-114-156.2175.7-164.90000110.4V167 C213V167-S169 PolarHBondContact O-N 2.87Å; S169-C213 CarbonylContact C-O 3.56Å; S169-C213 WeakPolarHBondContact CA-O 3.36Å; S169-C213 VanDerWaalsContact CB-O 3.32Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 3.06Å
170S98.3Very high98.1Very high17 Ų1739.1 Ų39.112%0.11922%0.221CC..  trans-154.5162.6-173.2176.40000110.6A172 G173 Y183 L215S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 PolarHBondContact OG-N 2.9Å; S170-G173 WeakPolarHBondContact O-CA 3.22Å; S170-G173 PolarHBondContact O-N 2.79Å; S170-Y183 VanDerWaalsContact CB-OH 3.23Å; S170-Y183 WeakPolarHBondContact CB-OH 3.44Å; S170-L215 CarbonylContact C-O 3.4Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.48Å; S170-L215 PolarHBondContact OG-O 3.25Å
171L97.9Very high98.1Very high15 Ų1533.9 Ų33.98%0.07921%0.206CC..G310 helixtrans-48.8-38.6163.8-65175.7000111.5G173 K174 V175 Y177 V214 L215 T264 I268L171-G173 PolarHBondContact O-N 3.17Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-K174 PolarHBondContact O-N 3.04Å; L171-V175 WeakPolarHBondContact O-CG2 3.23Å; L171-V175 PolarHBondContact O-N 2.94Å; L171-Y177 HydrophobicContact CB-CE2 3.98Å; L171-V214 HydrophobicContact CD2-CG1 3.96Å; L171-L215 PolarHBondContact N-O 3.16Å; L171-T264 HydrophobicContact CD1-CG2 3.56Å; L171-T264 HydrophobicContact CD2-CG2 3.63Å; L171-T264 HydrophobicContact CG-CG2 4.27Å; L171-I268 HydrophobicContact CD2-CB 4.32Å; L171-I268 HydrophobicContact CD2-CD1 3.96Å; L171-I268 HydrophobicContact CD2-CG1 3.78Å
172A97.4Very high98.1Very high6 Ų632.7 Ų32.75%0.0520%0.199CC..G310 helixtrans-68.8-3.5176.100000114.6S170 V175 Y177 V180 Y183 S184 F188S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 PolarHBondContact OG-N 2.9Å; A172-V175 CarbonylContact C-O 3.58Å; A172-V175 WeakPolarHBondContact CA-O 3.36Å; A172-Y177 HydrophobicContact CB-CD2 3.86Å; A172-Y177 HydrophobicContact CB-CE2 4.47Å; A172-V180 HydrophobicContact CB-CG2 4.32Å; A172-Y183 HydrophobicContact CB-CD1 4.18Å; A172-Y183 HydrophobicContact CB-CE1 3.98Å; A172-S184 WeakPolarHBondContact O-CA 3.21Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.46Å; A172-S184 PolarHBondContact O-OG 2.87Å; A172-F188 WeakPolarHBondContact O-CD2 3.49Å; A172-F188 VanDerWaalsContact O-CE2 3.23Å; A172-F188 WeakPolarHBondContact O-CE2 3.47Å
173G98.1Very high98.1Very high0 Ų030.5 Ų30.50%019%0.185CC..G310 helixtrans-972.2168.300000114S170 L171S170-G173 WeakPolarHBondContact O-CA 3.22Å; S170-G173 PolarHBondContact O-N 2.79Å; L171-G173 PolarHBondContact O-N 3.17Å; L171-G173 VanDerWaalsContact O-N 3.1Å
174K98.1Very high98.1Very high38 Ų3831 Ų3117%0.16519%0.187CC..THydrogen-bonded Turntrans-127.5-31.4-179.9-70.6-65.8-168.1175.60112.5L171 F188 D191 V214 E255 I268L171-K174 PolarHBondContact O-N 3.04Å; K174-F188 WeakPolarHBondContact O-CZ 3.25Å; K174-D191 WeakPolarHBondContact CD-OD2 3.17Å; K174-D191 WeakPolarHBondContact CE-OD2 3.22Å; K174-D191 IonicContact NZ-OD1 2.69Å; K174-D191 IonicContact NZ-OD2 2.71Å; K174-D191 PolarHBondContact NZ-OD2 2.94Å; K174-V214 HydrophobicContact CD-CG2 4.49Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.94Å; K174-E255 IonicContact NZ-OE1 2.63Å; K174-E255 PolarHBondContact NZ-OE1 3.4Å; K174-I268 HydrophobicContact CB-CD1 3.64Å; K174-I268 HydrophobicContact CB-CG1 4.09Å; K174-I268 HydrophobicContact CG-CD1 4.48Å; K174-I268 HydrophobicContact CG-CG1 4.41Å
175V97.6Very high98.1Very high58 Ų5832.9 Ų32.935%0.35220%0.203SC..SBendtrans-132.2157174.3-63.20000110.3L171 A172 Y177 I268L171-V175 WeakPolarHBondContact O-CG2 3.23Å; L171-V175 PolarHBondContact O-N 2.94Å; A172-V175 CarbonylContact C-O 3.58Å; A172-V175 WeakPolarHBondContact CA-O 3.36Å; V175-Y177 HydrophobicContact CG2-CD2 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å; V175-I268 HydrophobicContact CG1-CD1 3.77Å; V175-I268 HydrophobicContact CG2-CD1 4.24Å
176A98.2Very high98.1Very high89 Ų8932.9 Ų32.974%0.73620%0.203SC*.  trans-84.7136.6-178.900000111.5
177Y96.9Very high98.1Very high107 Ų10733 Ų3342%0.4220%0.204SC..  trans-128.1146170.7-69.7-83000110.1L171 A172 V175L171-Y177 HydrophobicContact CB-CE2 3.98Å; A172-Y177 HydrophobicContact CB-CD2 3.86Å; A172-Y177 HydrophobicContact CB-CE2 4.47Å; V175-Y177 HydrophobicContact CG2-CD2 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å
178P96.6Very high98.1Very high103 Ų10337 Ų3767%0.66922%0.221SC*.THydrogen-bonded Turntrans-66.3166.7170.631.5-35.9000110.8V180P178-V180 PolarHBondContact O-N 2.95Å; P178-V180 VanDerWaalsContact O-N 3.12Å
179M96.7Very high98.1Very high58 Ų5837.8 Ų37.829%0.28623%0.229SC..THydrogen-bonded Turntrans69.5-1.7174.7-47.4-65.8-9200116.8L126 N127 L128L126-M179 HydrophobicContact CB-CB 3.96Å; L126-M179 HydrophobicContact CD2-CB 4.25Å; N127-M179 VanDerWaalsContact C-SD 3.58Å; N127-M179 PolarHBondContact N-O 3.47Å; N127-M179 VanDerWaalsContact N-O 3.13Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.25Å; L128-M179 HydrophobicContact CB-SD 4.32Å; L128-M179 HydrophobicContact CD2-SD 3.46Å; L128-M179 WeakPolarHBondContact CD2-SD 3.23Å; L128-M179 HydrophobicContact CG-CE 4.37Å; L128-M179 HydrophobicContact CG-SD 3.58Å; L128-M179 VanDerWaalsContact CG-SD 3.58Å; L128-M179 PolarHBondContact N-SD 3.21Å; L128-M179 VanDerWaalsContact N-SD 3.36Å
180V97.7Very high98.1Very high22 Ų2237.6 Ų37.613%0.13323%0.228CC..  trans-134.528.8-174.7-63.60000113.6L126 A172 P178 A182 Y183 S184L126-V180 HydrophobicContact CD2-CG1 3.34Å; A172-V180 HydrophobicContact CB-CG2 4.32Å; P178-V180 PolarHBondContact O-N 2.95Å; P178-V180 VanDerWaalsContact O-N 3.12Å; V180-A182 PolarHBondContact O-N 3.06Å; V180-Y183 HydrophobicContact CB-CD1 4.32Å; V180-Y183 PolarHBondContact O-N 2.98Å; V180-S184 VanDerWaalsContact O-CB 3.28Å; V180-S184 WeakPolarHBondContact O-CB 3.31Å; V180-S184 PolarHBondContact O-N 3.48Å
181A98.3Very high98.1Very high57 Ų5737.3 Ų37.347%0.47123%0.225SC..Hα-helixtrans-54.3-50.4-171.100000114F129 S184 A185F129-A181 HydrophobicContact CB-CB 4.42Å; A181-S184 PolarHBondContact O-N 3.45Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.28Å
182A98.4Very high98.2Very high10 Ų1038.9 Ų38.98%0.08325%0.245CC..Hα-helixtrans-62.1-44.6178.800000112.6V136 V180 S186V136-A182 HydrophobicContact CB-CB 4.45Å; V136-A182 HydrophobicContact CG2-CB 3.93Å; V180-A182 PolarHBondContact O-N 3.06Å; A182-S186 PolarHBondContact O-N 3.21Å
183Y98.7Very high98.2Very high37 Ų3741.7 Ų41.715%0.14526%0.256CS..Hα-helixtrans-62.8-49.4176.5172-97.7000111.5I121 T124 S170 A172 V180 A185 S186 K187I121-Y183 HydrophobicContact CD1-CE2 4.06Å; I121-Y183 HydrophobicContact CG2-CE2 4.3Å; T124-Y183 HydrophobicContact CG2-CG 4.41Å; S170-Y183 VanDerWaalsContact CB-OH 3.23Å; S170-Y183 WeakPolarHBondContact CB-OH 3.44Å; A172-Y183 HydrophobicContact CB-CD1 4.18Å; A172-Y183 HydrophobicContact CB-CE1 3.98Å; V180-Y183 HydrophobicContact CB-CD1 4.32Å; V180-Y183 PolarHBondContact O-N 2.98Å; Y183-A185 PolarHBondContact O-N 3.15Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.15Å; Y183-S186 PolarHBondContact O-OG 2.76Å; Y183-K187 HydrophobicContact CD1-CG 4.31Å; Y183-K187 HydrophobicContact CD2-CG 4.35Å; Y183-K187 HydrophobicContact CE1-CG 3.9Å; Y183-K187 HydrophobicContact CE2-CD 4.29Å; Y183-K187 VanDerWaalsContact CE2-CE 3.45Å; Y183-K187 HydrophobicContact CE2-CG 3.93Å; Y183-K187 WeakPolarHBondContact O-CG 3.32Å; Y183-K187 PolarHBondContact O-N 3.31Å
184S98.6Very high98.3Very high13 Ų1341.7 Ų41.79%0.09126%0.256CS..Hα-helixtrans-56.9-49178.2-178.40000110.9A172 V180 A181 S186 K187 F188A172-S184 WeakPolarHBondContact O-CA 3.21Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.46Å; A172-S184 PolarHBondContact O-OG 2.87Å; V180-S184 VanDerWaalsContact O-CB 3.28Å; V180-S184 WeakPolarHBondContact O-CB 3.31Å; V180-S184 PolarHBondContact O-N 3.48Å; A181-S184 PolarHBondContact O-N 3.45Å; S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 3.04Å; S184-K187 PolarHBondContact O-N 2.87Å; S184-F188 WeakPolarHBondContact O-CD2 3.37Å; S184-F188 PolarHBondContact O-N 3.34Å
185A98.7Very high98.3Very high48 Ų4840.2 Ų40.240%0.39725%0.25SS..Hα-helixtrans-53.6-46.6175.800000112.2A181 Y183 K187 F188 A189A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.15Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 3.42Å; A185-F188 PolarHBondContact O-N 2.95Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.24Å
186S98.8Very high98.3Very high0 Ų040.3 Ų40.30%025%0.254CS..Hα-helixtrans-64.5-35.6177.875.30000113.5M140 N143 A182 Y183 S184 A189 L190M140-S186 VanDerWaalsContact SD-CA 3.55Å; N143-S186 WeakPolarHBondContact CB-OG 3.37Å; N143-S186 PolarHBondContact ND2-OG 3Å; N143-S186 VanDerWaalsContact ND2-OG 3.08Å; A182-S186 PolarHBondContact O-N 3.21Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.15Å; Y183-S186 PolarHBondContact O-OG 2.76Å; S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 3.04Å; S186-A189 PolarHBondContact O-N 3.06Å; S186-L190 PolarHBondContact O-N 3.21Å
187K98.8Very high98.3Very high3 Ų336.8 Ų36.81%0.01322%0.222CC..Hα-helixtrans-77.9-31.6179.3-65.9-51-169.2177.50113.3V168 Y183 S184 A185 L190 D191V168-K187 PolarHBondContact O-NZ 2.91Å; Y183-K187 HydrophobicContact CD1-CG 4.31Å; Y183-K187 HydrophobicContact CD2-CG 4.35Å; Y183-K187 HydrophobicContact CE1-CG 3.9Å; Y183-K187 HydrophobicContact CE2-CD 4.29Å; Y183-K187 VanDerWaalsContact CE2-CE 3.45Å; Y183-K187 HydrophobicContact CE2-CG 3.93Å; Y183-K187 WeakPolarHBondContact O-CG 3.32Å; Y183-K187 PolarHBondContact O-N 3.31Å; S184-K187 PolarHBondContact O-N 2.87Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 3.42Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; K187-D191 PolarHBondContact O-N 2.88Å
188F98.8Very high98.4Very high83 Ų8332.8 Ų32.836%0.36421%0.206SC..Hα-helixtrans-67.3-39.8168.2-90-91.7000111.5A172 K174 S184 A185 L190 D191 G192A172-F188 WeakPolarHBondContact O-CD2 3.49Å; A172-F188 VanDerWaalsContact O-CE2 3.23Å; A172-F188 WeakPolarHBondContact O-CE2 3.47Å; K174-F188 WeakPolarHBondContact O-CZ 3.25Å; S184-F188 WeakPolarHBondContact O-CD2 3.37Å; S184-F188 PolarHBondContact O-N 3.34Å; A185-F188 PolarHBondContact O-N 2.95Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 3.03Å; F188-D191 PolarHBondContact O-N 3.38Å; F188-D191 VanDerWaalsContact O-N 3.16Å; F188-G192 PolarHBondContact O-N 2.74Å
189A98.9Very high98.4Very high26 Ų2631.8 Ų31.822%0.21519%0.191CC..Hα-helixtrans-59.9-39.4176.100000112.1M140 F144 A185 S186 G192 F193M140-A189 HydrophobicContact CE-CB 3.8Å; F144-A189 HydrophobicContact CB-CB 4.49Å; F144-A189 HydrophobicContact CD1-CB 4.35Å; F144-A189 HydrophobicContact CD2-CB 3.62Å; F144-A189 HydrophobicContact CE2-CB 3.87Å; F144-A189 WeakPolarHBondContact CE2-O 3.25Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.24Å; S186-A189 PolarHBondContact O-N 3.06Å; A189-G192 PolarHBondContact O-N 3.21Å; A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.01Å
190L98.9Very high98.4Very high0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-57.3-48.8172.5-70.7174.3000111.9F144 Y147 V167 S186 K187 F188 F193 F194F144-L190 HydrophobicContact CD2-CD2 3.94Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; Y147-L190 HydrophobicContact CD2-CD1 4.14Å; Y147-L190 HydrophobicContact CD2-CD2 3.42Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.42Å; Y147-L190 HydrophobicContact CD2-CG 4.46Å; Y147-L190 HydrophobicContact CE2-CD1 3.99Å; Y147-L190 HydrophobicContact CE2-CD2 4.12Å; Y147-L190 HydrophobicContact CG-CD2 3.91Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.96Å; V167-L190 HydrophobicContact CG1-CD2 4.04Å; V167-L190 HydrophobicContact CG1-CG 4.31Å; S186-L190 PolarHBondContact O-N 3.21Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 3.2Å; L190-F194 HydrophobicContact CB-CD2 4.34Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.54Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 WeakPolarHBondContact O-CD2 3.35Å; L190-F194 PolarHBondContact O-N 2.87Å
191D98.8Very high98.4Very high10 Ų1034 Ų345%0.05320%0.199CC..Hα-helixtrans-60.7-49.2179.4-1787.9000111.5K174 K187 F188 F193 S195 L212 R273K174-D191 WeakPolarHBondContact CD-OD2 3.17Å; K174-D191 WeakPolarHBondContact CE-OD2 3.22Å; K174-D191 IonicContact NZ-OD1 2.69Å; K174-D191 IonicContact NZ-OD2 2.71Å; K174-D191 PolarHBondContact NZ-OD2 2.94Å; K187-D191 PolarHBondContact O-N 2.88Å; F188-D191 PolarHBondContact O-N 3.38Å; F188-D191 VanDerWaalsContact O-N 3.16Å; D191-F193 PolarHBondContact O-N 3.11Å; D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.47Å; D191-S195 PolarHBondContact O-OG 2.71Å; D191-S195 PolarHBondContact OD1-OG 3Å; D191-L212 HydrophobicContact CB-CD2 3.81Å; D191-R273 VanDerWaalsContact CG-NH1 3.28Å; D191-R273 IonicContact OD1-CZ 2.69Å; D191-R273 IonicContact OD1-NH1 3.22Å; D191-R273 PolarHBondContact OD1-NH1 3.38Å; D191-R273 VanDerWaalsContact OD1-NH1 3.09Å; D191-R273 IonicContact OD1-NH2 2.71Å; D191-R273 PolarHBondContact OD1-NH2 3.33Å; D191-R273 IonicContact OD2-CZ 2.89Å; D191-R273 IonicContact OD2-NH1 3.57Å; D191-R273 PolarHBondContact OD2-NH1 3.46Å; D191-R273 IonicContact OD2-NH2 2.88Å
192G98.7Very high98.2Very high48 Ų4835.8 Ų35.850%0.49521%0.208SC..Hα-helixtrans-55.8-50.5178.400000112.5F188 A189 S196F188-G192 PolarHBondContact O-N 2.74Å; A189-G192 PolarHBondContact O-N 3.21Å; G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 2.84Å
193F98.9Very high98Very high66 Ų6637.8 Ų37.829%0.28922%0.219SC..Hα-helixtrans-68.4-56.1-178.8-176.5-92.7000112.6F144 V148 A189 L190 D191 S195 S196 I197F144-F193 HydrophobicContact CE2-CB 3.62Å; F144-F193 HydrophobicContact CE2-CG 4.06Å; F144-F193 HydrophobicContact CZ-CB 4.06Å; F144-F193 HydrophobicContact CZ-CD2 4.3Å; F144-F193 HydrophobicContact CZ-CG 4.25Å; V148-F193 HydrophobicContact CB-CE1 4.32Å; V148-F193 HydrophobicContact CB-CZ 4.27Å; V148-F193 HydrophobicContact CG1-CE1 4.06Å; V148-F193 HydrophobicContact CG1-CE2 4.14Å; V148-F193 HydrophobicContact CG1-CZ 3.57Å; V148-F193 HydrophobicContact CG2-CD1 3.9Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.68Å; V148-F193 HydrophobicContact CG2-CE2 4.14Å; V148-F193 HydrophobicContact CG2-CG 4.22Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å; A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.01Å; L190-F193 PolarHBondContact O-N 3.2Å; D191-F193 PolarHBondContact O-N 3.11Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.47Å; F193-S196 WeakPolarHBondContact O-CB 3.38Å; F193-S196 PolarHBondContact O-N 3.08Å; F193-S196 VanDerWaalsContact O-N 3.1Å; F193-I197 HydrophobicContact CD1-CD1 4.3Å; F193-I197 HydrophobicContact CE1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CG1 4.5Å; F193-I197 HydrophobicContact CE1-CG2 4.09Å; F193-I197 HydrophobicContact CE2-CG2 4.43Å; F193-I197 HydrophobicContact CZ-CG2 4.03Å; F193-I197 PolarHBondContact O-N 3.36Å
194F98.9Very high97.8Very high0 Ų038.8 Ų38.80%023%0.231CC..Hα-helixtrans-68.7-30.4-173.4-79.2-80.8000112.7L118 Y147 T151 I165 V167 L190 I197 R198 I210L118-F194 HydrophobicContact CD1-CE1 4.37Å; L118-F194 HydrophobicContact CD1-CZ 3.91Å; Y147-F194 HydrophobicContact CD2-CE2 4.43Å; T151-F194 HydrophobicContact CG2-CE1 4.25Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.48Å; T151-F194 WeakPolarHBondContact OG1-CZ 3.41Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; V167-F194 HydrophobicContact CG1-CD2 4.06Å; V167-F194 HydrophobicContact CG1-CE2 4.26Å; V167-F194 HydrophobicContact CG2-CB 4.41Å; V167-F194 HydrophobicContact CG2-CD1 3.62Å; V167-F194 HydrophobicContact CG2-CD2 3.95Å; V167-F194 HydrophobicContact CG2-CE1 3.78Å; V167-F194 HydrophobicContact CG2-CE2 4.09Å; V167-F194 HydrophobicContact CG2-CG 3.72Å; V167-F194 HydrophobicContact CG2-CZ 4.01Å; L190-F194 HydrophobicContact CB-CD2 4.34Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.54Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 WeakPolarHBondContact O-CD2 3.35Å; L190-F194 PolarHBondContact O-N 2.87Å; F194-I197 HydrophobicContact CD1-CD1 3.76Å; F194-I197 HydrophobicContact CD1-CG1 4.43Å; F194-I197 HydrophobicContact CE1-CD1 4.1Å; F194-I197 WeakPolarHBondContact O-CG1 3.13Å; F194-R198 WeakPolarHBondContact O-CB 3.34Å; F194-R198 PolarHBondContact O-N 2.63Å; F194-R198 VanDerWaalsContact O-N 3.16Å; F194-I210 HydrophobicContact CB-CG2 3.99Å; F194-I210 HydrophobicContact CD1-CD1 4.48Å; F194-I210 HydrophobicContact CD1-CG2 3.94Å; F194-I210 HydrophobicContact CG-CG2 4.4Å
195S98.6Very high97.6Very high6 Ų648.7 Ų48.74%0.04227%0.267CS..Hα-helixtrans-72.3-34.7171.6-63.60000112.6D191 F193 R198 K199 R273D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.47Å; D191-S195 PolarHBondContact O-OG 2.71Å; D191-S195 PolarHBondContact OD1-OG 3Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.47Å; S195-R198 PolarHBondContact OG-NH1 3.44Å; S195-K199 PolarHBondContact O-N 3.45Å; S195-R273 PolarHBondContact OG-NH2 3.1Å
196S98.4Very high97.5Very high61 Ų6147.6 Ų47.643%0.42726%0.255SS..Hα-helixtrans-65.7-51.9175.1-166.80000111.4G192 F193 R198 K199 E200G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 2.84Å; F193-S196 WeakPolarHBondContact O-CB 3.38Å; F193-S196 PolarHBondContact O-N 3.08Å; F193-S196 VanDerWaalsContact O-N 3.1Å; S196-R198 PolarHBondContact O-N 3.22Å; S196-K199 WeakPolarHBondContact O-CA 3.17Å; S196-K199 WeakPolarHBondContact O-CB 3.21Å; S196-K199 PolarHBondContact O-N 3.04Å; S196-E200 PolarHBondContact O-N 3.22Å
197I98.2Very high97.5Very high15 Ų1551.7 Ų51.78%0.07728%0.277CS..Hα-helixtrans-64.9-25.8-179.765.2168000112.2T151 F193 F194 K199 E200 Y201 I210T151-I197 HydrophobicContact CG2-CD1 4.33Å; F193-I197 HydrophobicContact CD1-CD1 4.3Å; F193-I197 HydrophobicContact CE1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CG1 4.5Å; F193-I197 HydrophobicContact CE1-CG2 4.09Å; F193-I197 HydrophobicContact CE2-CG2 4.43Å; F193-I197 HydrophobicContact CZ-CG2 4.03Å; F193-I197 PolarHBondContact O-N 3.36Å; F194-I197 HydrophobicContact CD1-CD1 3.76Å; F194-I197 HydrophobicContact CD1-CG1 4.43Å; F194-I197 HydrophobicContact CE1-CD1 4.1Å; F194-I197 WeakPolarHBondContact O-CG1 3.13Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.2Å; I197-E200 PolarHBondContact O-N 2.88Å; I197-Y201 WeakPolarHBondContact O-CB 3.47Å; I197-Y201 WeakPolarHBondContact O-CD1 3.32Å; I197-Y201 VanDerWaalsContact O-CG 3.3Å; I197-Y201 PolarHBondContact O-N 3.47Å; I197-I210 HydrophobicContact CD1-CD1 3.64Å; I197-I210 HydrophobicContact CG1-CD1 3.55Å
198R98.3Very high97.5Very high22 Ų2251.9 Ų51.98%0.08328%0.279CS..Hα-helixtrans-61.1-42171-169.6-170.9-63.4110.2-2.8111.3F194 S195 S196 Y201 S202 I210 E254F194-R198 WeakPolarHBondContact O-CB 3.34Å; F194-R198 PolarHBondContact O-N 2.63Å; F194-R198 VanDerWaalsContact O-N 3.16Å; S195-R198 PolarHBondContact OG-NH1 3.44Å; S196-R198 PolarHBondContact O-N 3.22Å; R198-Y201 PolarHBondContact O-N 3.18Å; R198-S202 PolarHBondContact O-N 3.3Å; R198-S202 VanDerWaalsContact O-N 3.08Å; R198-I210 HydrophobicContact CB-CB 4.46Å; R198-I210 HydrophobicContact CB-CD1 4.15Å; R198-I210 HydrophobicContact CG-CB 4.46Å; R198-I210 VanDerWaalsContact CZ-O 3.27Å; R198-I210 PolarHBondContact NE-O 2.81Å; R198-I210 PolarHBondContact NH2-O 3.46Å; R198-E254 WeakPolarHBondContact CD-OE1 3.49Å; R198-E254 PolarHBondContact NH2-O 3.33Å
199K96.9Very high97.5Very high82 Ų8248.6 Ų48.636%0.35727%0.266SS..Hα-helixtrans-67.4-40.7174.9-57.5-59.4-175.9-173.10111.1S195 S196 I197 Y201 S202 V203 E277S195-K199 PolarHBondContact O-N 3.45Å; S196-K199 WeakPolarHBondContact O-CA 3.17Å; S196-K199 WeakPolarHBondContact O-CB 3.21Å; S196-K199 PolarHBondContact O-N 3.04Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.2Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 2.89Å; K199-S202 WeakPolarHBondContact O-CB 3.25Å; K199-S202 PolarHBondContact O-N 3.48Å; K199-V203 PolarHBondContact O-N 3.45Å; K199-V203 VanDerWaalsContact O-N 3.13Å; K199-E277 WeakPolarHBondContact CE-OE2 3.4Å; K199-E277 IonicContact NZ-OE2 3.43Å; K199-E277 PolarHBondContact NZ-OE2 3.35Å
200E96.8Very high97.5Very high102 Ų10247.5 Ų47.548%0.47726%0.256SS..Hα-helixtrans-60-42.4174.6-65.1178.1-163.700112S196 I197 S202 V203 S204S196-E200 PolarHBondContact O-N 3.22Å; I197-E200 PolarHBondContact O-N 2.88Å; E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.46Å; E200-V203 WeakPolarHBondContact O-CG2 3.47Å; E200-V203 PolarHBondContact O-N 3.3Å; E200-S204 WeakPolarHBondContact O-CB 3.24Å; E200-S204 PolarHBondContact O-N 3.34Å; E200-S204 PolarHBondContact O-OG 3.21Å
201Y97.3Very high97.5Very high25 Ų2547.5 Ų47.510%0.09826%0.256CS..Hα-helixtrans-64.6-37.3176.1-73.63.3000112.2L155 I197 R198 K199 R205 V206 V208 I210L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.99Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.48Å; L155-Y201 HydrophobicContact CD2-CE1 4.31Å; L155-Y201 VanDerWaalsContact CD2-OH 3.3Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.47Å; I197-Y201 WeakPolarHBondContact O-CB 3.47Å; I197-Y201 WeakPolarHBondContact O-CD1 3.32Å; I197-Y201 VanDerWaalsContact O-CG 3.3Å; I197-Y201 PolarHBondContact O-N 3.47Å; R198-Y201 PolarHBondContact O-N 3.18Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 2.89Å; Y201-R205 CarbonylContact O-C 3.59Å; Y201-R205 WeakPolarHBondContact O-CA 3.3Å; Y201-R205 PolarHBondContact O-N 3.46Å; Y201-V206 HydrophobicContact CD1-CB 3.88Å; Y201-V206 HydrophobicContact CD1-CG1 3.94Å; Y201-V206 HydrophobicContact CD1-CG2 4.2Å; Y201-V206 HydrophobicContact CD2-CB 4.35Å; Y201-V206 HydrophobicContact CD2-CG1 3.86Å; Y201-V206 HydrophobicContact CE1-CG1 4.26Å; Y201-V206 HydrophobicContact CE2-CG1 4.18Å; Y201-V206 HydrophobicContact CG-CB 3.76Å; Y201-V206 HydrophobicContact CG-CG1 3.75Å; Y201-V206 PolarHBondContact O-N 2.92Å; Y201-V208 HydrophobicContact CD2-CB 4.18Å; Y201-V208 HydrophobicContact CE2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CG1 4.32Å; Y201-I210 HydrophobicContact CD2-CD1 4.02Å; Y201-I210 HydrophobicContact CD2-CG1 4.48Å; Y201-I210 HydrophobicContact CE2-CD1 3.89Å; Y201-I210 HydrophobicContact CE2-CG1 4.44Å
202S93.8Very high97.5Very high94 Ų9447 Ų4766%0.65725%0.254SS*.Hα-helixtrans-61.3-47.1175.3-177.60000112R198 K199 E200 R205R198-S202 PolarHBondContact O-N 3.3Å; R198-S202 VanDerWaalsContact O-N 3.08Å; K199-S202 WeakPolarHBondContact O-CB 3.25Å; K199-S202 PolarHBondContact O-N 3.48Å; E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.46Å; S202-R205 PolarHBondContact O-N 3.32Å
203V94.1Very high97.5Very high53 Ų5344.8 Ų44.832%0.32123%0.23SC..Hα-helixtrans-74.9-34.5-178.9-60.30000113K199 E200 R205 M286 I290K199-V203 PolarHBondContact O-N 3.45Å; K199-V203 VanDerWaalsContact O-N 3.13Å; E200-V203 WeakPolarHBondContact O-CG2 3.47Å; E200-V203 PolarHBondContact O-N 3.3Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 2.96Å; V203-M286 HydrophobicContact CB-CE 4.45Å; V203-M286 HydrophobicContact CG1-CE 4.23Å; V203-M286 HydrophobicContact CG1-CG 4.45Å; V203-M286 HydrophobicContact CG2-CE 3.86Å; V203-I290 HydrophobicContact CB-CD1 4.13Å; V203-I290 VanDerWaalsContact O-CD1 3.3Å; V203-I290 WeakPolarHBondContact O-CD1 3.32Å
204S94.2Very high97.4Very high58 Ų5841.7 Ų41.741%0.40622%0.217SC..THydrogen-bonded Turntrans-85.84.2177.261.10000113.9E200 V206E200-S204 WeakPolarHBondContact O-CB 3.24Å; E200-S204 PolarHBondContact O-N 3.34Å; E200-S204 PolarHBondContact O-OG 3.21Å; S204-V206 PolarHBondContact O-N 3.35Å; S204-V206 WeakPolarHBondContact OG-CG2 3.37Å
205R94.3Very high97.4Very high220 Ų22042 Ų4283%0.8322%0.219SC*.THydrogen-bonded Turntrans56.333.6179.9-54.4178.9-176.5-98.40113.8Y201 S202 V203 N207Y201-R205 CarbonylContact O-C 3.59Å; Y201-R205 WeakPolarHBondContact O-CA 3.3Å; Y201-R205 PolarHBondContact O-N 3.46Å; S202-R205 PolarHBondContact O-N 3.32Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 2.96Å; R205-N207 PolarHBondContact O-N 2.88Å
206V97.3Very high97.4Very high25 Ų2542.3 Ų42.315%0.15222%0.223CC..  trans-78.4111171.1173.30000108.7L155 K159 Y201 S204 V208L155-V206 HydrophobicContact CD1-CG1 4.49Å; K159-V206 HydrophobicContact CD-CG1 4.42Å; K159-V206 HydrophobicContact CG-CG1 3.99Å; Y201-V206 HydrophobicContact CD1-CB 3.88Å; Y201-V206 HydrophobicContact CD1-CG1 3.94Å; Y201-V206 HydrophobicContact CD1-CG2 4.2Å; Y201-V206 HydrophobicContact CD2-CB 4.35Å; Y201-V206 HydrophobicContact CD2-CG1 3.86Å; Y201-V206 HydrophobicContact CE1-CG1 4.26Å; Y201-V206 HydrophobicContact CE2-CG1 4.18Å; Y201-V206 HydrophobicContact CG-CB 3.76Å; Y201-V206 HydrophobicContact CG-CG1 3.75Å; Y201-V206 PolarHBondContact O-N 2.92Å; S204-V206 PolarHBondContact O-N 3.35Å; S204-V206 WeakPolarHBondContact OG-CG2 3.37Å; V206-V208 HydrophobicContact CG1-CB 4.06Å; V206-V208 HydrophobicContact CG1-CG2 3.89Å; V206-V208 PolarHBondContact O-N 3.3Å
207N98Very high97.3Very high86 Ų8640.9 Ų40.946%0.4621%0.21SC..  trans-82.950.6-177.4-169.618.6000113N162 R205 R252N162-N207 CarbonylContact C-O 3.56Å; N162-N207 VanDerWaalsContact C-O 3.24Å; N162-N207 WeakPolarHBondContact CA-O 3.42Å; N162-N207 HydrophobicContact CB-CB 4.34Å; N162-N207 WeakPolarHBondContact CB-ND2 3.42Å; N162-N207 WeakPolarHBondContact OD1-CB 3.35Å; N162-N207 PolarHBondContact OD1-ND2 2.91Å; R205-N207 PolarHBondContact O-N 2.88Å; N207-R252 PolarHBondContact O-NH2 2.74Å; N207-R252 PolarHBondContact OD1-NH2 2.87Å
208V98.7Very high97.3Very high8 Ų840.6 Ų40.65%0.04821%0.209CC..  trans-113.2120.1172.8178.10000108L155 L158 K159 G163 I165 Y201 V206L155-V208 HydrophobicContact CD1-CG2 4.19Å; L158-V208 HydrophobicContact CB-CG1 4.1Å; L158-V208 HydrophobicContact CB-CG2 3.91Å; L158-V208 HydrophobicContact CD1-CG1 4.31Å; K159-V208 HydrophobicContact CG-CG2 4.13Å; G163-V208 WeakPolarHBondContact O-CA 3.34Å; I165-V208 HydrophobicContact CD1-CG1 4Å; I165-V208 HydrophobicContact CG1-CG1 3.95Å; Y201-V208 HydrophobicContact CD2-CB 4.18Å; Y201-V208 HydrophobicContact CE2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CG1 4.32Å; V206-V208 HydrophobicContact CG1-CB 4.06Å; V206-V208 HydrophobicContact CG1-CG2 3.89Å; V206-V208 PolarHBondContact O-N 3.3Å
209S98.7Very high97.3Very high14 Ų1442 Ų4210%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-79.3155.2177.665.30000111G163 S164 I165 R252G163-S209 PolarHBondContact O-N 3.05Å; G163-S209 VanDerWaalsContact O-N 3.08Å; S164-S209 WeakPolarHBondContact CA-OG 3.34Å; S164-S209 VanDerWaalsContact CB-OG 3.25Å; S164-S209 WeakPolarHBondContact CB-OG 3.49Å; S164-S209 PolarHBondContact OG-OG 2.76Å; I165-S209 PolarHBondContact N-O 3.07Å; S209-R252 PolarHBondContact OG-NH1 3Å
210I98.8Very high97.3Very high3 Ų339 Ų392%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-131.8114.8175.9-57.5179.6000108.2I165 V167 F194 I197 R198 Y201I165-I210 HydrophobicContact CB-CG1 4.35Å; I165-I210 HydrophobicContact CD1-CG1 4.33Å; I165-I210 CarbonylContact O-C 3.56Å; I165-I210 WeakPolarHBondContact O-CA 3.43Å; V167-I210 HydrophobicContact CG2-CG2 4.46Å; F194-I210 HydrophobicContact CB-CG2 3.99Å; F194-I210 HydrophobicContact CD1-CD1 4.48Å; F194-I210 HydrophobicContact CD1-CG2 3.94Å; F194-I210 HydrophobicContact CG-CG2 4.4Å; I197-I210 HydrophobicContact CD1-CD1 3.64Å; I197-I210 HydrophobicContact CG1-CD1 3.55Å; R198-I210 HydrophobicContact CB-CB 4.46Å; R198-I210 HydrophobicContact CB-CD1 4.15Å; R198-I210 HydrophobicContact CG-CB 4.46Å; R198-I210 VanDerWaalsContact CZ-O 3.27Å; R198-I210 PolarHBondContact NE-O 2.81Å; R198-I210 PolarHBondContact NH2-O 3.46Å; Y201-I210 HydrophobicContact CD2-CD1 4.02Å; Y201-I210 HydrophobicContact CD2-CG1 4.48Å; Y201-I210 HydrophobicContact CE2-CD1 3.89Å; Y201-I210 HydrophobicContact CE2-CG1 4.44Å
211T98.9Very high97.3Very high0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-105.5119.4177.7-56.90000109.7I165 V166 V167 G248 Q253 E254 V256I165-T211 PolarHBondContact O-N 3.46Å; V166-T211 WeakPolarHBondContact CA-O 3.37Å; V167-T211 PolarHBondContact N-O 2.94Å; T211-G248 PolarHBondContact OG1-O 3.21Å; T211-Q253 VanDerWaalsContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CB-O 3.42Å; T211-Q253 WeakPolarHBondContact CG2-O 3.27Å; T211-Q253 PolarHBondContact OG1-O 2.87Å; T211-E254 WeakPolarHBondContact CA-O 3.4Å; T211-V256 HydrophobicContact CG2-CG2 3.64Å
212L98.8Very high97.2Very high0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-98.8112.8173.4-17772.6000109.7V167 D191 E254 E255 V256V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.77Å; D191-L212 HydrophobicContact CB-CD2 3.81Å; L212-E254 PolarHBondContact N-O 3.37Å; L212-E255 HydrophobicContact CB-CG 4.38Å; L212-E255 VanDerWaalsContact O-CA 3.22Å; L212-E255 WeakPolarHBondContact O-CA 3.45Å; L212-V256 PolarHBondContact O-N 3.33Å
213C98.7Very high97.3Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-90.9115.8-179.5-52.40000110.3V167 S169 L215 I245 V256V167-C213 PolarHBondContact O-N 3.05Å; S169-C213 CarbonylContact C-O 3.56Å; S169-C213 WeakPolarHBondContact CA-O 3.36Å; S169-C213 VanDerWaalsContact CB-O 3.32Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 3.06Å; C213-L215 HydrophobicContact CB-CD2 4.11Å; C213-L215 HydrophobicContact CB-CG 4.48Å; C213-I245 HydrophobicContact CB-CG1 4.13Å; C213-V256 CarbonylContact C-O 3.51Å; C213-V256 WeakPolarHBondContact CA-O 3.44Å; C213-V256 HydrophobicContact CB-CB 4.32Å
214V98.6Very high97.5Very high1 Ų141.5 Ų41.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-10099.5178.7-177.40000108.3L171 K174 V256 Y257 Y258 I268L171-V214 HydrophobicContact CD2-CG1 3.96Å; K174-V214 HydrophobicContact CD-CG2 4.49Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.94Å; V214-V256 PolarHBondContact N-O 3.04Å; V214-Y257 HydrophobicContact CB-CD1 3.66Å; V214-Y257 HydrophobicContact CB-CE1 3.86Å; V214-Y257 HydrophobicContact CG1-CD1 4.05Å; V214-Y257 HydrophobicContact CG1-CE1 4.18Å; V214-Y257 HydrophobicContact CG2-CD1 4.14Å; V214-Y257 HydrophobicContact CG2-CE1 3.83Å; V214-Y258 PolarHBondContact O-N 3.3Å; V214-I268 HydrophobicContact CG1-CG1 4.11Å
215L98.4Very high97.6Very high7 Ų747 Ų474%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-100.2141.5-173.4-50.6-175.9000112.9I46 V168 S170 L171 C213 I218 I245 Y258I46-L215 HydrophobicContact CD1-CD1 3.78Å; V168-L215 HydrophobicContact CG1-CD1 3.48Å; V168-L215 VanDerWaalsContact CG1-CD1 3.48Å; V168-L215 HydrophobicContact CG1-CG 4.26Å; S170-L215 CarbonylContact C-O 3.4Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.48Å; S170-L215 PolarHBondContact OG-O 3.25Å; L171-L215 PolarHBondContact N-O 3.16Å; C213-L215 HydrophobicContact CB-CD2 4.11Å; C213-L215 HydrophobicContact CB-CG 4.48Å; L215-I218 HydrophobicContact CB-CG1 4.39Å; L215-I245 HydrophobicContact CD1-CD1 3.92Å; L215-I245 HydrophobicContact CD2-CD1 4.19Å; L215-I245 HydrophobicContact CD2-CG1 4.2Å; L215-Y258 WeakPolarHBondContact CA-O 3.3Å
216G97.6Very high97.6Very high13 Ų1337.9 Ų37.913%0.13420%0.203CC..  trans-75.1-156.1167.700000114.6I218 Y258 D259G216-I218 PolarHBondContact O-N 3.29Å; G216-Y258 PolarHBondContact N-O 3.09Å; G216-D259 VanDerWaalsContact CA-OD1 3.23Å; G216-D259 WeakPolarHBondContact CA-OD1 3.34Å
217L97.4Very high97.5Very high31 Ų3137.6 Ų37.616%0.16220%0.201CC..  trans-76.1120.5170.7-178.662.1000109.2A223 V227 M233 A235 A236L217-A223 HydrophobicContact CD1-CB 4.11Å; L217-V227 HydrophobicContact CD1-CG1 3.8Å; L217-V227 HydrophobicContact CD1-CG2 4.45Å; L217-V227 HydrophobicContact CD2-CG2 4.36Å; L217-M233 HydrophobicContact CD2-CB 4.24Å; L217-A235 HydrophobicContact CD2-CB 4.1Å; L217-A235 HydrophobicContact CG-CB 3.88Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 VanDerWaalsContact O-CA 3.3Å; L217-A235 WeakPolarHBondContact O-CA 3.37Å; L217-A236 PolarHBondContact O-N 3.1Å
218I98.1Very high97.3Very high8 Ų837.8 Ų37.84%0.04121%0.209CC..BIsolated β-bridgetrans-114.3138.9-178.4-48.8-56.5000109.6I46 L215 G216 T220 A223 A236 K238 C241 Y258I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.96Å; I46-I218 HydrophobicContact CD1-CG2 3.97Å; I46-I218 HydrophobicContact CG1-CG2 3.97Å; L215-I218 HydrophobicContact CB-CG1 4.39Å; G216-I218 PolarHBondContact O-N 3.29Å; I218-T220 HydrophobicContact CG2-CG2 4.25Å; I218-T220 PolarHBondContact O-N 3.24Å; I218-A223 VanDerWaalsContact O-CB 3.26Å; I218-A223 WeakPolarHBondContact O-CB 3.23Å; I218-A236 WeakPolarHBondContact CA-O 3.43Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; I218-K238 VanDerWaalsContact CG2-CA 3.48Å; I218-K238 HydrophobicContact CG2-CB 3.68Å; I218-C241 HydrophobicContact CD1-CB 4.12Å; I218-C241 HydrophobicContact CG2-CB 4.03Å; I218-Y258 HydrophobicContact CD1-CD1 3.75Å; I218-Y258 HydrophobicContact CD1-CE1 3.93Å
219D97.7Very high97.1Very high52 Ų5240.6 Ų40.628%0.27824%0.24SC..  trans-71.231-17176-9.6000115.9A235 A236 K238D219-A235 HydrophobicContact CB-CB 3.91Å; D219-A236 PolarHBondContact N-O 3.36Å; D219-K238 VanDerWaalsContact OD1-CB 3.24Å; D219-K238 WeakPolarHBondContact OD1-CB 3.39Å; D219-K238 VanDerWaalsContact OD1-CG 3.22Å; D219-K238 WeakPolarHBondContact OD1-CG 3.46Å; D219-K238 PolarHBondContact OD1-N 3.19Å
220T97.3Very high96.9Very high18 Ų1844.1 Ų44.111%0.1126%0.256CS..  trans-64.8145.2170.571.40000110.5I46 I218 T222 A223 M224 K238I46-T220 HydrophobicContact CD1-CG2 4.39Å; I46-T220 HydrophobicContact CG1-CG2 3.79Å; I218-T220 HydrophobicContact CG2-CG2 4.25Å; I218-T220 PolarHBondContact O-N 3.24Å; T220-T222 PolarHBondContact O-N 3.22Å; T220-T222 VanDerWaalsContact O-N 3.09Å; T220-A223 PolarHBondContact O-N 3.08Å; T220-A223 VanDerWaalsContact OG1-CB 3.3Å; T220-A223 WeakPolarHBondContact OG1-CB 3.31Å; T220-A223 PolarHBondContact OG1-N 2.69Å; T220-A223 VanDerWaalsContact OG1-N 3.15Å; T220-M224 WeakPolarHBondContact O-CG 3.46Å; T220-M224 PolarHBondContact O-N 3.43Å; T220-K238 HydrophobicContact CG2-CB 4.23Å
221E96.3Very high96.5Very high160 Ų16046.5 Ų46.575%0.74827%0.271SS*.Hα-helixtrans-52.7-36.8176.6-172.2-170166.900112.4K225E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.34Å
222T95.7Very high96.1Very high58 Ų5854.8 Ų54.836%0.35631%0.309SS..Hα-helixtrans-67.8-45.6179.1-57.50000111.9K44 T220 A226K44-T222 PolarHBondContact NZ-OG1 3.37Å; T220-T222 PolarHBondContact O-N 3.22Å; T220-T222 VanDerWaalsContact O-N 3.09Å; T222-A226 WeakPolarHBondContact O-CB 3.43Å; T222-A226 PolarHBondContact O-N 3.18Å; T222-A226 VanDerWaalsContact O-N 3.12Å
223A96.2Very high95.7Very high24 Ų2460 Ų6020%0.19834%0.335CS..Hα-helixtrans-66.9-47.7177.400000111.3L217 I218 T220 K225 A226 V227L217-A223 HydrophobicContact CD1-CB 4.11Å; I218-A223 VanDerWaalsContact O-CB 3.26Å; I218-A223 WeakPolarHBondContact O-CB 3.23Å; T220-A223 PolarHBondContact O-N 3.08Å; T220-A223 VanDerWaalsContact OG1-CB 3.3Å; T220-A223 WeakPolarHBondContact OG1-CB 3.31Å; T220-A223 PolarHBondContact OG1-N 2.69Å; T220-A223 VanDerWaalsContact OG1-N 3.15Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 3.1Å; A223-A226 PolarHBondContact O-N 3.33Å; A223-V227 WeakPolarHBondContact O-CG2 3.36Å; A223-V227 PolarHBondContact O-N 3.17Å
224M97.1Very high95.5Very high85 Ų8567.1 Ų67.142%0.41937%0.368SS..Hα-helixtrans-58.9-38.7-179.9-67.9-49.3-52.600112.5T220 S228 A235T220-M224 WeakPolarHBondContact O-CG 3.46Å; T220-M224 PolarHBondContact O-N 3.43Å; M224-S228 WeakPolarHBondContact O-CB 3.38Å; M224-S228 PolarHBondContact O-N 3.36Å; M224-A235 HydrophobicContact SD-CB 3.78Å
225K96.4Very high95.4Very high174 Ų17468.2 Ų68.276%0.75738%0.378SS*.Hα-helixtrans-68.6-39174.2-168.3175.6-175.3174.60112.5E221 A223E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.34Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 3.1Å
226A95.3Very high95.4Very high29 Ų2968 Ų6824%0.2438%0.377CS..Hα-helixtrans-72.2-32.6-177.900000113.5L126 T222 A223L126-A226 WeakPolarHBondContact CD1-O 3.23Å; T222-A226 WeakPolarHBondContact O-CB 3.43Å; T222-A226 PolarHBondContact O-N 3.18Å; T222-A226 VanDerWaalsContact O-N 3.12Å; A223-A226 PolarHBondContact O-N 3.33Å
227V94.9Very high95.4Very high18 Ų1869.9 Ų69.911%0.10939%0.387CS..Hα-helixtrans-90.5-14.4-179.4-57.70000113.9L126 L217 A223 G229 I230 V231L126-V227 HydrophobicContact CD1-CG1 4.31Å; L217-V227 HydrophobicContact CD1-CG1 3.8Å; L217-V227 HydrophobicContact CD1-CG2 4.45Å; L217-V227 HydrophobicContact CD2-CG2 4.36Å; A223-V227 WeakPolarHBondContact O-CG2 3.36Å; A223-V227 PolarHBondContact O-N 3.17Å; V227-G229 PolarHBondContact O-N 3.24Å; V227-I230 PolarHBondContact O-N 2.98Å; V227-V231 HydrophobicContact CB-CB 4.16Å; V227-V231 HydrophobicContact CG1-CB 4.48Å; V227-V231 PolarHBondContact O-N 3.31Å
228S94.6Very high95.4Very high91 Ų9170.4 Ų70.464%0.63639%0.388SS*.THydrogen-bonded Turntrans-54122.3-176.5-168.90000111.5M224 I230M224-S228 WeakPolarHBondContact O-CB 3.38Å; M224-S228 PolarHBondContact O-N 3.36Å; S228-I230 PolarHBondContact O-N 2.97Å
229G94Very high95.5Very high67 Ų6773.7 Ų73.769%0.69140%0.403SS*.THydrogen-bonded Turntrans74.61.8-179.400000115.8V227V227-G229 PolarHBondContact O-N 3.24Å
230I93.4Very high95.5Very high87 Ų8775.9 Ų75.945%0.44641%0.412SS..THydrogen-bonded Turntrans-118.8-46-177-54.5174.3000111.3L126 V227 S228L126-I230 HydrophobicContact CB-CD1 3.95Å; L126-I230 HydrophobicContact CD1-CB 4.03Å; L126-I230 HydrophobicContact CD1-CD1 4.19Å; L126-I230 HydrophobicContact CD1-CG2 3.76Å; V227-I230 PolarHBondContact O-N 2.98Å; S228-I230 PolarHBondContact O-N 2.97Å
231V91Very high95.5Very high54 Ų5475 Ų7533%0.32741%0.406SS..  trans-123.9122.2-178.2-1780000109.8L126 V227 M233L126-V231 HydrophobicContact CD1-CG2 3.88Å; V227-V231 HydrophobicContact CB-CB 4.16Å; V227-V231 HydrophobicContact CG1-CB 4.48Å; V227-V231 PolarHBondContact O-N 3.31Å; V231-M233 HydrophobicContact CG1-CB 4.09Å; V231-M233 HydrophobicContact CG1-CG 3.68Å; V231-M233 HydrophobicContact CG1-SD 3.74Å
232H90.8Very high95.6Very high173 Ų17367.4 Ų67.480%0.80137%0.371SS*.  trans-102.275178.5-62.9-74.5000110.5
233M90.3Very high95.8Very high111 Ų11166.5 Ų66.555%0.54736%0.364SS..  trans-128.6153.7178.1-67.717967.900110.6L217 V231L217-M233 HydrophobicContact CD2-CB 4.24Å; V231-M233 HydrophobicContact CG1-CB 4.09Å; V231-M233 HydrophobicContact CG1-CG 3.68Å; V231-M233 HydrophobicContact CG1-SD 3.74Å
234Q94.3Very high95.9Very high148 Ų14867.9 Ų67.969%0.69237%0.366SS*.PPolyproline II helixtrans-67.8135.4172.9-172.1172.88.600109.7S260Q234-S260 PolarHBondContact O-OG 3.41Å
235A96.9Very high95.9Very high25 Ų2563.9 Ų63.921%0.20735%0.346CS..PPolyproline II helixtrans-97.7135.1171.500000109.4L217 D219 M224L217-A235 HydrophobicContact CD2-CB 4.1Å; L217-A235 HydrophobicContact CG-CB 3.88Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 VanDerWaalsContact O-CA 3.3Å; L217-A235 WeakPolarHBondContact O-CA 3.37Å; D219-A235 HydrophobicContact CB-CB 3.91Å; M224-A235 HydrophobicContact SD-CB 3.78Å
236A97.5Very high96Very high3 Ų355.6 Ų55.63%0.02531%0.31CS..BIsolated β-bridgetrans-80.5151.7173.900000111.1L217 I218 D219 K238 Y258L217-A236 PolarHBondContact O-N 3.1Å; I218-A236 WeakPolarHBondContact CA-O 3.43Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; D219-A236 PolarHBondContact N-O 3.36Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å; A236-Y258 VanDerWaalsContact CB-CE1 3.5Å
237P98.2Very high96.2Very high51 Ų5156.8 Ų56.833%0.33131%0.31SS..PPolyproline II helixtrans-67.6129.3-177.525.4-32.8000112.5E239 E240 C241 Y258P237-E239 VanDerWaalsContact C-N 3.29Å; P237-E239 PolarHBondContact O-N 3.39Å; P237-E240 HydrophobicContact CG-CB 4.11Å; P237-E240 PolarHBondContact O-N 3.42Å; P237-C241 WeakPolarHBondContact O-CB 3.27Å; P237-C241 PolarHBondContact O-N 3.35Å; P237-Y258 WeakPolarHBondContact CD-OH 3.45Å
238K98.5Very high96.3Very high42 Ų4255.9 Ų55.918%0.18330%0.304CS..Hα-helixtrans-63.2-30.1179.863.3-169.2177-143.50113.7I46 E49 I218 D219 T220 A236 A242I46-K238 HydrophobicContact CG1-CB 4.44Å; E49-K238 HydrophobicContact CG-CD 4.3Å; E49-K238 HydrophobicContact CG-CG 3.98Å; I218-K238 VanDerWaalsContact CG2-CA 3.48Å; I218-K238 HydrophobicContact CG2-CB 3.68Å; D219-K238 VanDerWaalsContact OD1-CB 3.24Å; D219-K238 WeakPolarHBondContact OD1-CB 3.39Å; D219-K238 VanDerWaalsContact OD1-CG 3.22Å; D219-K238 WeakPolarHBondContact OD1-CG 3.46Å; D219-K238 PolarHBondContact OD1-N 3.19Å; T220-K238 HydrophobicContact CG2-CB 4.23Å; A236-K238 PolarHBondContact O-N 2.97Å; K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.43Å; K238-A242 PolarHBondContact O-N 2.94Å
239E98.3Very high96.5Very high77 Ų7751.6 Ų51.636%0.3627%0.274SS..Hα-helixtrans-67.4-45.1-179.9-6475.8-166.900110.9E49 H53 P237 L243E49-E239 HydrophobicContact CG-CG 4.41Å; H53-E239 PolarHBondContact NE2-O 3.16Å; P237-E239 VanDerWaalsContact C-N 3.29Å; P237-E239 PolarHBondContact O-N 3.39Å; E239-L243 PolarHBondContact O-N 2.78Å
240E97.7Very high96.7Very high99 Ų9949.4 Ų49.446%0.46325%0.25SC..Hα-helixtrans-73.3-40.2176.3-174.8-175.2-159.500110.9P237 A242 L243 E244 Y258P237-E240 HydrophobicContact CG-CB 4.11Å; P237-E240 PolarHBondContact O-N 3.42Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.42Å; E240-L243 WeakPolarHBondContact O-CA 3.3Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 3.37Å; E240-E244 HydrophobicContact CG-CG 4.45Å; E240-E244 PolarHBondContact O-N 2.87Å; E240-Y258 WeakPolarHBondContact CB-OH 3.24Å; E240-Y258 HydrophobicContact CG-CE2 3.89Å; E240-Y258 PolarHBondContact OE2-OH 3.01Å
241C98.5Very high96.9Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-52.3-48.2173-176.70000112.1I218 P237 L243 E244 I245 Y258I218-C241 HydrophobicContact CD1-CB 4.12Å; I218-C241 HydrophobicContact CG2-CB 4.03Å; P237-C241 WeakPolarHBondContact O-CB 3.27Å; P237-C241 PolarHBondContact O-N 3.35Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 3.45Å; C241-E244 PolarHBondContact O-N 3.21Å; C241-I245 WeakPolarHBondContact O-CD1 3.21Å; C241-I245 VanDerWaalsContact O-CG1 3.27Å; C241-I245 WeakPolarHBondContact O-CG1 3.27Å; C241-I245 PolarHBondContact O-N 2.92Å; C241-I245 VanDerWaalsContact O-N 3.08Å; C241-Y258 HydrophobicContact CB-CD1 3.63Å; C241-Y258 HydrophobicContact CB-CE1 3.42Å; C241-Y258 VanDerWaalsContact CB-CE1 3.42Å
242A98.8Very high97.2Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-60.6-39.8177.100000112.5I46 E49 M50 K238 E240 I246I46-A242 HydrophobicContact CG2-CB 4.22Å; E49-A242 HydrophobicContact CB-CB 3.62Å; M50-A242 HydrophobicContact CB-CB 4.38Å; M50-A242 HydrophobicContact CG-CB 3.55Å; K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.43Å; K238-A242 PolarHBondContact O-N 2.94Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.42Å; A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.1Å
243L98.5Very high97.5Very high39 Ų3944.3 Ų44.320%0.20422%0.218CC..Hα-helixtrans-65.4-46.7176.9-179.360.4000111.4F27 M57 E239 E240 C241 I245 I246 K247F27-L243 HydrophobicContact CE1-CD1 4.44Å; M57-L243 HydrophobicContact CE-CD1 3.59Å; E239-L243 PolarHBondContact O-N 2.78Å; E240-L243 WeakPolarHBondContact O-CA 3.3Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 3.37Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 3.45Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 2.64Å; L243-I246 PolarHBondContact O-N 2.83Å; L243-I246 VanDerWaalsContact O-N 3.11Å; L243-K247 HydrophobicContact CD1-CG 4.35Å; L243-K247 HydrophobicContact CG-CD 4.38Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.26Å
244E98.2Very high97.9Very high53 Ų5342.9 Ų42.925%0.24821%0.21CC..Hα-helixtrans-62.9-34.6179.5-67.7-53.8124.400112.8E240 C241 K247 G248 Y258E240-E244 HydrophobicContact CG-CG 4.45Å; E240-E244 PolarHBondContact O-N 2.87Å; C241-E244 PolarHBondContact O-N 3.21Å; E244-K247 PolarHBondContact O-N 2.91Å; E244-K247 WeakPolarHBondContact OE1-CD 3.22Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; E244-G248 PolarHBondContact O-N 3.34Å; E244-Y258 HydrophobicContact CB-CD2 4.08Å; E244-Y258 HydrophobicContact CG-CD2 3.73Å; E244-Y258 HydrophobicContact CG-CE2 3.96Å
245I98.7Very high98.1Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-61.3-47.7171.7-67.9164.4000111I46 M50 V166 V168 C213 L215 C241 L243 G248 G249I46-I245 HydrophobicContact CG2-CD1 3.57Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.11Å; M50-I245 HydrophobicContact SD-CG2 3.49Å; M50-I245 WeakPolarHBondContact SD-CG2 3.48Å; V166-I245 HydrophobicContact CG1-CG2 3.54Å; V168-I245 HydrophobicContact CG2-CD1 4.28Å; V168-I245 HydrophobicContact CG2-CG2 4.35Å; C213-I245 HydrophobicContact CB-CG1 4.13Å; L215-I245 HydrophobicContact CD1-CD1 3.92Å; L215-I245 HydrophobicContact CD2-CD1 4.19Å; L215-I245 HydrophobicContact CD2-CG1 4.2Å; C241-I245 WeakPolarHBondContact O-CD1 3.21Å; C241-I245 VanDerWaalsContact O-CG1 3.27Å; C241-I245 WeakPolarHBondContact O-CG1 3.27Å; C241-I245 PolarHBondContact O-N 2.92Å; C241-I245 VanDerWaalsContact O-N 3.08Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 2.64Å; I245-G248 PolarHBondContact O-N 2.93Å; I245-G249 PolarHBondContact O-N 2.9Å; I245-G249 VanDerWaalsContact O-N 3.09Å
246I98.7Very high98.1Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-63.1-45.6178.6-68.5162.6000110.6F27 L32 M50 H53 L54 M57 A242 L243 G248 G249 A250F27-I246 HydrophobicContact CE2-CG2 4.42Å; L32-I246 HydrophobicContact CD2-CG2 4.14Å; L32-I246 HydrophobicContact CG-CG2 4.1Å; M50-I246 HydrophobicContact CB-CD1 4.19Å; M50-I246 HydrophobicContact CG-CD1 4.27Å; M50-I246 HydrophobicContact CG-CG1 4.34Å; H53-I246 HydrophobicContact CB-CD1 3.53Å; L54-I246 HydrophobicContact CD2-CD1 4.32Å; L54-I246 HydrophobicContact CD2-CG1 4.43Å; L54-I246 HydrophobicContact CD2-CG2 4.25Å; L54-I246 HydrophobicContact CG-CD1 3.92Å; L54-I246 HydrophobicContact CG-CG1 4.39Å; M57-I246 HydrophobicContact CE-CG2 4.42Å; M57-I246 HydrophobicContact SD-CG2 4.13Å; A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.1Å; L243-I246 PolarHBondContact O-N 2.83Å; L243-I246 VanDerWaalsContact O-N 3.11Å; I246-G248 PolarHBondContact O-N 3.21Å; I246-G249 PolarHBondContact O-N 3.31Å; I246-A250 WeakPolarHBondContact O-CB 3.4Å; I246-A250 PolarHBondContact O-N 3.03Å
247K98.3Very high98.1Very high54 Ų5438.2 Ų38.224%0.23518%0.182CC..Hα-helixtrans-56.6-50.7178-70.1-175.9-179159.90111.3F27 L243 E244 G249 A250 L251F27-K247 HydrophobicContact CB-CB 4.42Å; F27-K247 HydrophobicContact CB-CD 4.25Å; F27-K247 HydrophobicContact CB-CG 4.04Å; F27-K247 HydrophobicContact CD1-CD 4.13Å; F27-K247 HydrophobicContact CD1-CG 3.71Å; F27-K247 HydrophobicContact CD2-CB 4.02Å; F27-K247 HydrophobicContact CD2-CG 3.71Å; F27-K247 HydrophobicContact CE1-CG 4.01Å; F27-K247 HydrophobicContact CE2-CB 4.46Å; F27-K247 HydrophobicContact CE2-CG 3.99Å; F27-K247 HydrophobicContact CG-CB 4.17Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.54Å; F27-K247 HydrophobicContact CZ-CG 4.14Å; L243-K247 HydrophobicContact CD1-CG 4.35Å; L243-K247 HydrophobicContact CG-CD 4.38Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.26Å; E244-K247 PolarHBondContact O-N 2.91Å; E244-K247 WeakPolarHBondContact OE1-CD 3.22Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; K247-G249 VanDerWaalsContact C-N 3.33Å; K247-G249 PolarHBondContact O-N 2.96Å; K247-A250 PolarHBondContact O-N 3.27Å; K247-L251 VanDerWaalsContact O-CB 3.32Å; K247-L251 WeakPolarHBondContact O-CB 3.29Å; K247-L251 VanDerWaalsContact O-CG 3.31Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 2.78Å
248G97.7Very high98.1Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-62.9-38.7-179.800000113.4T211 E244 I245 I246 R252 Q253T211-G248 PolarHBondContact OG1-O 3.21Å; E244-G248 PolarHBondContact O-N 3.34Å; I245-G248 PolarHBondContact O-N 2.93Å; I246-G248 PolarHBondContact O-N 3.21Å; G248-R252 PolarHBondContact O-N 2.71Å; G248-Q253 PolarHBondContact O-N 3.49Å
249G98.6Very high98Very high0 Ų035.7 Ų35.70%017%0.167CC..Hα-helixtrans-65.7-39.9174.800000113.7M115 S164 I245 I246 K247 R252M115-G249 VanDerWaalsContact CE-C 3.5Å; S164-G249 PolarHBondContact OG-O 2.84Å; I245-G249 PolarHBondContact O-N 2.9Å; I245-G249 VanDerWaalsContact O-N 3.09Å; I246-G249 PolarHBondContact O-N 3.31Å; K247-G249 VanDerWaalsContact C-N 3.33Å; K247-G249 PolarHBondContact O-N 2.96Å; G249-R252 PolarHBondContact O-N 3.42Å
250A98.2Very high97.9Very high22 Ų2234.2 Ų34.218%0.18217%0.165CC..Hα-helixtrans-71-41.7178.400000112.1F27 L32 M115 I246 K247 R252F27-A250 HydrophobicContact CD2-CB 4.18Å; F27-A250 HydrophobicContact CE2-CB 4.03Å; L32-A250 HydrophobicContact CD2-CB 3.62Å; M115-A250 HydrophobicContact CE-CB 4.41Å; I246-A250 WeakPolarHBondContact O-CB 3.4Å; I246-A250 PolarHBondContact O-N 3.03Å; K247-A250 PolarHBondContact O-N 3.27Å; A250-R252 PolarHBondContact O-N 3.41Å
251L97.6Very high97.7Very high37 Ų3731.4 Ų31.419%0.19416%0.156CC..THydrogen-bonded Turntrans-77.13173.8-64.4178000113.2E25 F27 M31 K247 Q253E25-L251 HydrophobicContact CB-CD2 3.91Å; E25-L251 VanDerWaalsContact O-CD2 3.24Å; E25-L251 WeakPolarHBondContact O-CD2 3.43Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å; M31-L251 HydrophobicContact CE-CD2 3.97Å; M31-L251 HydrophobicContact SD-CD2 4.11Å; K247-L251 VanDerWaalsContact O-CB 3.32Å; K247-L251 WeakPolarHBondContact O-CB 3.29Å; K247-L251 VanDerWaalsContact O-CG 3.31Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 2.78Å; L251-Q253 HydrophobicContact CB-CG 4.05Å; L251-Q253 PolarHBondContact O-N 3.24Å; L251-Q253 VanDerWaalsContact O-N 3.14Å
252R97.9Very high97.4Very high88 Ų8838 Ų3833%0.33219%0.191SC..THydrogen-bonded Turntrans5631176.5-53.5177.569.580.1-15.6113.5N162 G163 S164 N207 S209 G248 G249 A250N162-R252 PolarHBondContact O-NH1 2.99Å; N162-R252 PolarHBondContact O-NH2 3.32Å; G163-R252 PolarHBondContact O-NH1 3.29Å; S164-R252 PolarHBondContact OG-NH1 3.3Å; N207-R252 PolarHBondContact O-NH2 2.74Å; N207-R252 PolarHBondContact OD1-NH2 2.87Å; S209-R252 PolarHBondContact OG-NH1 3Å; G248-R252 PolarHBondContact O-N 2.71Å; G249-R252 PolarHBondContact O-N 3.42Å; A250-R252 PolarHBondContact O-N 3.41Å
253Q96.9Very high97.2Very high82 Ų8247.1 Ų47.138%0.38323%0.225SC..  trans-66.4141.9179-65.7175.9-5.500110.3T211 G248 L251 E255T211-Q253 VanDerWaalsContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CB-O 3.42Å; T211-Q253 WeakPolarHBondContact CG2-O 3.27Å; T211-Q253 PolarHBondContact OG1-O 2.87Å; G248-Q253 PolarHBondContact O-N 3.49Å; L251-Q253 HydrophobicContact CB-CG 4.05Å; L251-Q253 PolarHBondContact O-N 3.24Å; L251-Q253 VanDerWaalsContact O-N 3.14Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.24Å
254E97.9Very high97Very high81 Ų8146.9 Ų46.938%0.37923%0.226SC..SBendtrans-66.6-37.8177.8-64.4-164.6153.900112.2R198 T211 L212 K274R198-E254 WeakPolarHBondContact CD-OE1 3.49Å; R198-E254 PolarHBondContact NH2-O 3.33Å; T211-E254 WeakPolarHBondContact CA-O 3.4Å; L212-E254 PolarHBondContact N-O 3.37Å; E254-K274 IonicContact OE2-NZ 3.91Å; E254-K274 PolarHBondContact OE2-NZ 2.96Å
255E97.8Very high96.6Very high29 Ų2945.5 Ų45.514%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-142.5139.3-177-61.2-177.1138.200111.1K174 L212 Q253 Y257K174-E255 IonicContact NZ-OE1 2.63Å; K174-E255 PolarHBondContact NZ-OE1 3.4Å; L212-E255 HydrophobicContact CB-CG 4.38Å; L212-E255 VanDerWaalsContact O-CA 3.22Å; L212-E255 WeakPolarHBondContact O-CA 3.45Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.24Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.73Å; E255-Y257 VanDerWaalsContact CD-OH 3.23Å; E255-Y257 PolarHBondContact OE2-OH 3.26Å
256V97.7Very high96.2Very high7 Ų750.5 Ų50.54%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-114.3135171.7174.10000108T211 L212 C213 V214T211-V256 HydrophobicContact CG2-CG2 3.64Å; L212-V256 PolarHBondContact O-N 3.33Å; C213-V256 CarbonylContact C-O 3.51Å; C213-V256 WeakPolarHBondContact CA-O 3.44Å; C213-V256 HydrophobicContact CB-CB 4.32Å; V214-V256 PolarHBondContact N-O 3.04Å
257Y97.6Very high96.1Very high41 Ų4157.4 Ų57.416%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-120.5119.4177.6-62.6-82.6000108.8V214 E255 I268 R269V214-Y257 HydrophobicContact CB-CD1 3.66Å; V214-Y257 HydrophobicContact CB-CE1 3.86Å; V214-Y257 HydrophobicContact CG1-CD1 4.05Å; V214-Y257 HydrophobicContact CG1-CE1 4.18Å; V214-Y257 HydrophobicContact CG2-CD1 4.14Å; V214-Y257 HydrophobicContact CG2-CE1 3.83Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.73Å; E255-Y257 VanDerWaalsContact CD-OH 3.23Å; E255-Y257 PolarHBondContact OE2-OH 3.26Å; Y257-I268 HydrophobicContact CD1-CB 4.49Å; Y257-I268 HydrophobicContact CD1-CG1 4.49Å; Y257-I268 HydrophobicContact CD1-CG2 3.27Å; Y257-I268 HydrophobicContact CE1-CB 4.43Å; Y257-I268 HydrophobicContact CE1-CG1 4.25Å; Y257-I268 HydrophobicContact CE1-CG2 3.49Å; Y257-I268 VanDerWaalsContact CE1-CG2 3.49Å; Y257-I268 HydrophobicContact CG-CG2 4.11Å; Y257-R269 HydrophobicContact CD2-CG 4.33Å; Y257-R269 HydrophobicContact CE2-CG 3.95Å
258Y97.8Very high95.9Very high23 Ų2355.8 Ų55.89%0.0928%0.277CS..EExtended strand (participates in β ladder)trans-137.7117.5-179.8-174.4-94.2000110.2V214 L215 G216 I218 A236 P237 E240 C241 E244V214-Y258 PolarHBondContact O-N 3.3Å; L215-Y258 WeakPolarHBondContact CA-O 3.3Å; G216-Y258 PolarHBondContact N-O 3.09Å; I218-Y258 HydrophobicContact CD1-CD1 3.75Å; I218-Y258 HydrophobicContact CD1-CE1 3.93Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å; A236-Y258 VanDerWaalsContact CB-CE1 3.5Å; P237-Y258 WeakPolarHBondContact CD-OH 3.45Å; E240-Y258 WeakPolarHBondContact CB-OH 3.24Å; E240-Y258 HydrophobicContact CG-CE2 3.89Å; E240-Y258 PolarHBondContact OE2-OH 3.01Å; C241-Y258 HydrophobicContact CB-CD1 3.63Å; C241-Y258 HydrophobicContact CB-CE1 3.42Å; C241-Y258 VanDerWaalsContact CB-CE1 3.42Å; E244-Y258 HydrophobicContact CB-CD2 4.08Å; E244-Y258 HydrophobicContact CG-CD2 3.73Å; E244-Y258 HydrophobicContact CG-CE2 3.96Å
259D97Very high95.6Very high18 Ų1862.7 Ų62.710%0.09630%0.303CS..  trans-152.5157.4-179.7-176.362.1000108.9G216 S261 T264 T265G216-D259 VanDerWaalsContact CA-OD1 3.23Å; G216-D259 WeakPolarHBondContact CA-OD1 3.34Å; D259-S261 PolarHBondContact O-N 2.87Å; D259-S261 WeakPolarHBondContact OD2-CA 3.23Å; D259-S261 VanDerWaalsContact OD2-CB 3.31Å; D259-S261 WeakPolarHBondContact OD2-CB 3.38Å; D259-S261 PolarHBondContact OD2-N 3.28Å; D259-T264 HydrophobicContact CB-CG2 4.3Å; D259-T264 WeakPolarHBondContact OD2-CB 3.31Å; D259-T264 PolarHBondContact OD2-OG1 2.91Å; D259-T265 HydrophobicContact CB-CG2 4.03Å
260S95.4Very high95.4Very high45 Ų4567 Ų6732%0.31533%0.326SS..SBendtrans-67.1-21.9176560000113Q234Q234-S260 PolarHBondContact O-OG 3.41Å
261S94.8Very high95.2Very high41 Ų4170 Ų7029%0.28734%0.343SS..  trans-105.6118.8179.4170.90000111.6D259 W263 T264 T265D259-S261 PolarHBondContact O-N 2.87Å; D259-S261 WeakPolarHBondContact OD2-CA 3.23Å; D259-S261 VanDerWaalsContact OD2-CB 3.31Å; D259-S261 WeakPolarHBondContact OD2-CB 3.38Å; D259-S261 PolarHBondContact OD2-N 3.28Å; S261-W263 PolarHBondContact O-N 3.45Å; S261-W263 PolarHBondContact OG-N 3.08Å; S261-T264 WeakPolarHBondContact CB-OG1 3.47Å; S261-T264 WeakPolarHBondContact O-CB 3.12Å; S261-T264 PolarHBondContact O-N 3.34Å; S261-T264 VanDerWaalsContact O-N 3.09Å; S261-T264 PolarHBondContact OG-N 3.11Å; S261-T264 PolarHBondContact OG-OG1 3.23Å; S261-T265 PolarHBondContact O-N 3.12Å
262L92.5Very high95.1Very high138 Ų13872.6 Ų72.672%0.72336%0.364SS*.Hα-helixtrans-58.4-34172.8-68.7174.4000111.9T264 T265 L266L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 3.25Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 3.47Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 2.85Å
263W94.6Very high95Very high192 Ų19271.4 Ų71.473%0.72736%0.359SS*.Hα-helixtrans-60.3-41.4176-66111.1000112.2S261 L266 L267S261-W263 PolarHBondContact O-N 3.45Å; S261-W263 PolarHBondContact OG-N 3.08Å; W263-L266 HydrophobicContact CE3-CD1 4.33Å; W263-L266 PolarHBondContact O-N 3.02Å; W263-L267 WeakPolarHBondContact O-CB 3.45Å; W263-L267 WeakPolarHBondContact O-CG 3.5Å; W263-L267 PolarHBondContact O-N 2.87Å
264T93.5Very high94.9Very high34 Ų3470.7 Ų70.721%0.20936%0.355CS..Hα-helixtrans-60.4-47.9175.4-49.60000110.3L171 D259 S261 L262 L266 L267 I268L171-T264 HydrophobicContact CD1-CG2 3.56Å; L171-T264 HydrophobicContact CD2-CG2 3.63Å; L171-T264 HydrophobicContact CG-CG2 4.27Å; D259-T264 HydrophobicContact CB-CG2 4.3Å; D259-T264 WeakPolarHBondContact OD2-CB 3.31Å; D259-T264 PolarHBondContact OD2-OG1 2.91Å; S261-T264 WeakPolarHBondContact CB-OG1 3.47Å; S261-T264 WeakPolarHBondContact O-CB 3.12Å; S261-T264 PolarHBondContact O-N 3.34Å; S261-T264 VanDerWaalsContact O-N 3.09Å; S261-T264 PolarHBondContact OG-N 3.11Å; S261-T264 PolarHBondContact OG-OG1 3.23Å; L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 3.25Å; T264-L266 VanDerWaalsContact C-N 3.25Å; T264-L266 PolarHBondContact O-N 3.35Å; T264-L267 PolarHBondContact O-N 3.21Å; T264-I268 VanDerWaalsContact O-CB 3.27Å; T264-I268 WeakPolarHBondContact O-CB 3.34Å; T264-I268 WeakPolarHBondContact O-CG2 3.35Å; T264-I268 PolarHBondContact O-N 3.44Å
265T89.9Confident94.7Very high24 Ų2471.8 Ų71.815%0.14736%0.362CS..Hα-helixtrans-64.3-28-179.469.40000113.6D259 S261 L262D259-T265 HydrophobicContact CB-CG2 4.03Å; S261-T265 PolarHBondContact O-N 3.12Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 3.47Å
266L91Very high94.6Very high104 Ų10474.8 Ų74.855%0.54538%0.379SS..Hα-helixtrans-76.3-48.3175-72.4169.4000111.7L262 W263 T264L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 2.85Å; W263-L266 HydrophobicContact CE3-CD1 4.33Å; W263-L266 PolarHBondContact O-N 3.02Å; T264-L266 VanDerWaalsContact C-N 3.25Å; T264-L266 PolarHBondContact O-N 3.35Å
267L94.9Very high94.4Very high145 Ų14576.8 Ų76.876%0.75939%0.387SS*.Hα-helixtrans-75.6-26.2-173.5-69.4174000113.8W263 T264 R269W263-L267 WeakPolarHBondContact O-CB 3.45Å; W263-L267 WeakPolarHBondContact O-CG 3.5Å; W263-L267 PolarHBondContact O-N 2.87Å; T264-L267 PolarHBondContact O-N 3.21Å; L267-R269 PolarHBondContact O-N 2.86Å
268I94.2Very high94.2Very high20 Ų2081.9 Ų81.910%0.10341%0.411CS..THydrogen-bonded Turntrans-73.2-19-178.6-162.164.5000113L171 K174 V175 V214 Y257 T264L171-I268 HydrophobicContact CD2-CB 4.32Å; L171-I268 HydrophobicContact CD2-CD1 3.96Å; L171-I268 HydrophobicContact CD2-CG1 3.78Å; K174-I268 HydrophobicContact CB-CD1 3.64Å; K174-I268 HydrophobicContact CB-CG1 4.09Å; K174-I268 HydrophobicContact CG-CD1 4.48Å; K174-I268 HydrophobicContact CG-CG1 4.41Å; V175-I268 HydrophobicContact CG1-CD1 3.77Å; V175-I268 HydrophobicContact CG2-CD1 4.24Å; V214-I268 HydrophobicContact CG1-CG1 4.11Å; Y257-I268 HydrophobicContact CD1-CB 4.49Å; Y257-I268 HydrophobicContact CD1-CG1 4.49Å; Y257-I268 HydrophobicContact CD1-CG2 3.27Å; Y257-I268 HydrophobicContact CE1-CB 4.43Å; Y257-I268 HydrophobicContact CE1-CG1 4.25Å; Y257-I268 HydrophobicContact CE1-CG2 3.49Å; Y257-I268 VanDerWaalsContact CE1-CG2 3.49Å; Y257-I268 HydrophobicContact CG-CG2 4.11Å; T264-I268 VanDerWaalsContact O-CB 3.27Å; T264-I268 WeakPolarHBondContact O-CB 3.34Å; T264-I268 WeakPolarHBondContact O-CG2 3.35Å; T264-I268 PolarHBondContact O-N 3.44Å
269R92.4Very high93.9Very high146 Ų14685.6 Ų85.655%0.55143%0.432SS*.  trans-68.8133.6176.2-67.4179.3177.5-165.1-1.5109.4Y257 L267 P271Y257-R269 HydrophobicContact CD2-CG 4.33Å; Y257-R269 HydrophobicContact CE2-CG 3.95Å; L267-R269 PolarHBondContact O-N 2.86Å; R269-P271 WeakPolarHBondContact O-CD 3.36Å
270N94.4Very high93.7Very high91 Ų9191.2 Ų91.249%0.48745%0.452SS..  trans-114.382.1-179.3-169.4-23.3000111.1C272 R273 K274N270-C272 VanDerWaalsContact C-N 3.27Å; N270-C272 PolarHBondContact O-N 2.93Å; N270-C272 PolarHBondContact OD1-N 3.32Å; N270-R273 HydrophobicContact CB-CB 4.14Å; N270-R273 PolarHBondContact O-N 2.73Å; N270-R273 PolarHBondContact OD1-N 3.3Å; N270-K274 PolarHBondContact O-N 3.41Å
271P93.9Very high93.4Very high84 Ų8492.3 Ų92.355%0.54546%0.46SS..Hα-helixtrans-63.5-32.6-179.825.2-33.8000112.5R269 R273 K274 I275R269-P271 WeakPolarHBondContact O-CD 3.36Å; P271-R273 VanDerWaalsContact C-N 3.33Å; P271-R273 PolarHBondContact O-N 3.18Å; P271-K274 PolarHBondContact O-N 2.98Å; P271-I275 WeakPolarHBondContact O-CG1 3.39Å; P271-I275 PolarHBondContact O-N 3.26Å
272C95.9Very high92.9Very high92 Ų9296 Ų9662%0.62248%0.481SS*.Hα-helixtrans-59.8-42.5177.3-63.20000112N270 I275 L276N270-C272 VanDerWaalsContact C-N 3.27Å; N270-C272 PolarHBondContact O-N 2.93Å; N270-C272 PolarHBondContact OD1-N 3.32Å; C272-I275 PolarHBondContact O-N 2.91Å; C272-L276 WeakPolarHBondContact O-CB 3.3Å; C272-L276 PolarHBondContact O-N 3.29Å
273R96.1Very high92.7Very high63 Ų6393.5 Ų93.524%0.23848%0.475CS..Hα-helixtrans-58.8-47.8173.9172.5179.5166.1-178-6111.6D191 S195 N270 P271 I275 L276 E277D191-R273 VanDerWaalsContact CG-NH1 3.28Å; D191-R273 IonicContact OD1-CZ 2.69Å; D191-R273 IonicContact OD1-NH1 3.22Å; D191-R273 PolarHBondContact OD1-NH1 3.38Å; D191-R273 VanDerWaalsContact OD1-NH1 3.09Å; D191-R273 IonicContact OD1-NH2 2.71Å; D191-R273 PolarHBondContact OD1-NH2 3.33Å; D191-R273 IonicContact OD2-CZ 2.89Å; D191-R273 IonicContact OD2-NH1 3.57Å; D191-R273 PolarHBondContact OD2-NH1 3.46Å; D191-R273 IonicContact OD2-NH2 2.88Å; S195-R273 PolarHBondContact OG-NH2 3.1Å; N270-R273 HydrophobicContact CB-CB 4.14Å; N270-R273 PolarHBondContact O-N 2.73Å; N270-R273 PolarHBondContact OD1-N 3.3Å; P271-R273 VanDerWaalsContact C-N 3.33Å; P271-R273 PolarHBondContact O-N 3.18Å; R273-I275 PolarHBondContact O-N 3.42Å; R273-L276 PolarHBondContact O-N 3.09Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 WeakPolarHBondContact CG-OE1 3.22Å; R273-E277 IonicContact CZ-OE1 2.85Å; R273-E277 IonicContact NE-OE1 3.74Å; R273-E277 PolarHBondContact NE-OE1 2.92Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 WeakPolarHBondContact O-CB 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.43Å; R273-E277 PolarHBondContact O-N 3.36Å
274K93.9Very high92.4Very high66 Ų6692 Ų9229%0.28747%0.47SS..Hα-helixtrans-62.6-41.9-179.4-65.7-66.8-172.9-177.20112E254 N270 P271 F278E254-K274 IonicContact OE2-NZ 3.91Å; E254-K274 PolarHBondContact OE2-NZ 2.96Å; N270-K274 PolarHBondContact O-N 3.41Å; P271-K274 PolarHBondContact O-N 2.98Å; K274-F278 WeakPolarHBondContact O-CB 3.21Å; K274-F278 PolarHBondContact O-N 3.13Å
275I93.5Very high92Very high105 Ų10595.5 Ų95.554%0.53849%0.488SS..Hα-helixtrans-61.3-47.4175.3-67.5165.2000110.2P271 C272 R273 F278 L279P271-I275 WeakPolarHBondContact O-CG1 3.39Å; P271-I275 PolarHBondContact O-N 3.26Å; C272-I275 PolarHBondContact O-N 2.91Å; R273-I275 PolarHBondContact O-N 3.42Å; I275-F278 PolarHBondContact O-N 3.12Å; I275-L279 HydrophobicContact CG2-CD1 4.02Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.15Å
276L94.8Very high91.7Very high92 Ų9297.1 Ų97.148%0.48250%0.495SS..Hα-helixtrans-64.6-45.2-178.6-166.864.7000112.3C272 R273 F278 L279 Y280C272-L276 WeakPolarHBondContact O-CB 3.3Å; C272-L276 PolarHBondContact O-N 3.29Å; R273-L276 PolarHBondContact O-N 3.09Å; L276-F278 VanDerWaalsContact C-N 3.3Å; L276-F278 PolarHBondContact O-N 3.09Å; L276-L279 PolarHBondContact O-N 3.44Å; L276-Y280 HydrophobicContact CD1-CD2 3.97Å; L276-Y280 HydrophobicContact CD1-CE2 3.41Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.41Å; L276-Y280 HydrophobicContact CD2-CE2 4.32Å; L276-Y280 HydrophobicContact CG-CD2 3.87Å; L276-Y280 HydrophobicContact CG-CE2 3.66Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.06Å; L276-Y280 VanDerWaalsContact O-N 3.1Å
277E95.1Very high91.3Very high48 Ų4897.2 Ų97.222%0.22450%0.496CS..Hα-helixtrans-58.1-42174.2-74.4175-171.400111.9K199 R273 S281K199-E277 WeakPolarHBondContact CE-OE2 3.4Å; K199-E277 IonicContact NZ-OE2 3.43Å; K199-E277 PolarHBondContact NZ-OE2 3.35Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 WeakPolarHBondContact CG-OE1 3.22Å; R273-E277 IonicContact CZ-OE1 2.85Å; R273-E277 IonicContact NE-OE1 3.74Å; R273-E277 PolarHBondContact NE-OE1 2.92Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 WeakPolarHBondContact O-CB 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.43Å; R273-E277 PolarHBondContact O-N 3.36Å; E277-S281 PolarHBondContact O-N 2.78Å; E277-S281 VanDerWaalsContact O-N 3.08Å
278F92.1Very high90.7Very high148 Ų14899.8 Ų99.865%0.64950%0.495SS*.Hα-helixtrans-63.7-47.3177.7176.7-98.8000111.6K274 I275 L276 Y280 S281K274-F278 WeakPolarHBondContact O-CB 3.21Å; K274-F278 PolarHBondContact O-N 3.13Å; I275-F278 PolarHBondContact O-N 3.12Å; L276-F278 VanDerWaalsContact C-N 3.3Å; L276-F278 PolarHBondContact O-N 3.09Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.9Å; F278-S281 WeakPolarHBondContact O-CB 3.3Å; F278-S281 PolarHBondContact O-N 2.93Å; F278-S281 VanDerWaalsContact O-N 3.16Å; F278-S281 PolarHBondContact O-OG 3.47Å
279L92.6Very high90.3Very high102 Ų102106 Ų10653%0.53452%0.522SS..Hα-helixtrans-60.6-38.1179.3-69.9173.2000112.6I275 L276 T282I275-L279 HydrophobicContact CG2-CD1 4.02Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.15Å; L276-L279 PolarHBondContact O-N 3.44Å; L279-T282 PolarHBondContact O-OG1 3.23Å
280Y92.7Very high89.6Confident135 Ų135102 Ų10253%0.52951%0.511SS..Hα-helixtrans-81-16.2178.1-75-62.5000114.2L276 F278 T282 S283 Y284L276-Y280 HydrophobicContact CD1-CD2 3.97Å; L276-Y280 HydrophobicContact CD1-CE2 3.41Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.41Å; L276-Y280 HydrophobicContact CD2-CE2 4.32Å; L276-Y280 HydrophobicContact CG-CD2 3.87Å; L276-Y280 HydrophobicContact CG-CE2 3.66Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.06Å; L276-Y280 VanDerWaalsContact O-N 3.1Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.9Å; Y280-T282 PolarHBondContact O-N 2.85Å; Y280-S283 WeakPolarHBondContact O-CB 3.47Å; Y280-S283 PolarHBondContact O-N 3.38Å; Y280-S283 VanDerWaalsContact O-N 3.09Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.35Å
281S89Confident88.2Confident69 Ų69103.9 Ų103.948%0.48352%0.521SS..Hα-helixtrans-61.9-28.4-176.769.70000113.7E277 F278E277-S281 PolarHBondContact O-N 2.78Å; E277-S281 VanDerWaalsContact O-N 3.08Å; F278-S281 WeakPolarHBondContact O-CB 3.3Å; F278-S281 PolarHBondContact O-N 2.93Å; F278-S281 VanDerWaalsContact O-N 3.16Å; F278-S281 PolarHBondContact O-OG 3.47Å
282T83.5Confident86.4Confident117 Ų117111.1 Ų111.172%0.71854%0.544SS*.THydrogen-bonded Turntrans-89-10.4178.3550000113.7L279 Y280 Y284L279-T282 PolarHBondContact O-OG1 3.23Å; Y280-T282 PolarHBondContact O-N 2.85Å; T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 2.78Å
283S89.1Confident85.9Confident86 Ų86112.1 Ų112.160%0.60154%0.54SS*.SBendtrans-78-13.2-177.9-57.40000113.5Y280Y280-S283 WeakPolarHBondContact O-CB 3.47Å; Y280-S283 PolarHBondContact O-N 3.38Å; Y280-S283 VanDerWaalsContact O-N 3.09Å
284Y87.1Confident85.4Confident160 Ų160114.7 Ų114.763%0.62756%0.556SS**SBendtrans-94.7132.1-177.4-69.2-83.2000112.2Y280 T282 M286Y280-Y284 WeakPolarHBondContact O-CD2 3.35Å; T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 2.78Å; Y284-M286 PolarHBondContact O-N 3.02Å
285N85.2Confident84.9Confident109 Ų109117.4 Ų117.458%0.58357%0.571SS**  trans-83.495.6165-174.7-24.5000109.6D287N285-D287 WeakPolarHBondContact OD1-CB 3.43Å; N285-D287 PolarHBondContact OD1-N 3.29Å; N285-D287 PolarHBondContact OD1-OD2 3.06Å
286M85.5Confident84.4Confident58 Ų58118.1 Ų118.129%0.28657%0.573SS.*  trans-86.4-2.1-177.5-62-55.6-122.500114.3V203 Y284 R288 F289 I290V203-M286 HydrophobicContact CB-CE 4.45Å; V203-M286 HydrophobicContact CG1-CE 4.23Å; V203-M286 HydrophobicContact CG1-CG 4.45Å; V203-M286 HydrophobicContact CG2-CE 3.86Å; Y284-M286 PolarHBondContact O-N 3.02Å; M286-R288 PolarHBondContact O-N 2.96Å; M286-R288 VanDerWaalsContact O-N 3.08Å; M286-F289 PolarHBondContact O-N 3.22Å; M286-F289 HydrophobicContact SD-CD2 4.44Å; M286-I290 HydrophobicContact CB-CD1 3.54Å; M286-I290 HydrophobicContact CB-CG1 4.16Å; M286-I290 PolarHBondContact O-N 3.23Å; M286-I290 VanDerWaalsContact O-N 3.16Å
287D81.9Confident83.7Confident106 Ų106119.8 Ų119.857%0.56758%0.578SS**Hα-helixtrans-59.6-27.8-176.4-65.2-30.8000112.7N285 F289 N291N285-D287 WeakPolarHBondContact OD1-CB 3.43Å; N285-D287 PolarHBondContact OD1-N 3.29Å; N285-D287 PolarHBondContact OD1-OD2 3.06Å; D287-F289 VanDerWaalsContact C-N 3.26Å; D287-F289 PolarHBondContact O-N 3Å; D287-N291 PolarHBondContact O-ND2 2.95Å
288R82.9Confident83Confident198 Ų198124.5 Ų124.575%0.74760%0.602SS**Hα-helixtrans-68.6-19.9177.4-69.6-173.4177.8-173.50.2114.4M286M286-R288 PolarHBondContact O-N 2.96Å; M286-R288 VanDerWaalsContact O-N 3.08Å
289F84Confident82.3Confident150 Ų150122.9 Ų122.966%0.65860%0.599SS**Hα-helixtrans-114.9-29.7-171.4-57.8-77.2000113.1M286 D287M286-F289 PolarHBondContact O-N 3.22Å; M286-F289 HydrophobicContact SD-CD2 4.44Å; D287-F289 VanDerWaalsContact C-N 3.26Å; D287-F289 PolarHBondContact O-N 3Å
290I78.9Confident81.5Confident63 Ų63124.5 Ų124.532%0.32360%0.604SS.*Hα-helixtrans-82.6-29.8-177.3-58.4165.8000111.8V203 M286 K292V203-I290 HydrophobicContact CB-CD1 4.13Å; V203-I290 VanDerWaalsContact O-CD1 3.3Å; V203-I290 WeakPolarHBondContact O-CD1 3.32Å; M286-I290 HydrophobicContact CB-CD1 3.54Å; M286-I290 HydrophobicContact CB-CG1 4.16Å; M286-I290 PolarHBondContact O-N 3.23Å; M286-I290 VanDerWaalsContact O-N 3.16Å; I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.31Å
291N64.1Low80.6Confident130 Ų130123.6 Ų123.670%0.69561%0.61SS**THydrogen-bonded Turntrans-92.921.6-175.5-63.8-40.3000114.1D287D287-N291 PolarHBondContact O-ND2 2.95Å
292K56.4Low79.9Confident237 Ų237128.5 Ų128.5100%1.0362%0.621SS**  trans-103.90172.2-74.8-173.9178.3-176.60110I290I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.31Å

Retrieved 292 of 292 residues in 701.3 ms (Link to these results)