A0A087YGE6_POEFO Loading...

Transmembrane protein 19

AlphaFold DB , UniProt , Accession A0A087YGE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 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
1I56.8Low65.5Low177 Ų177110.5 Ų110.591%0.90859%0.589SS**  0-51.30-60.4173.7000109.8D3 S4 E5I1-D3 PolarHBondContact O-N 3.49Å; I1-S4 WeakPolarHBondContact O-CB 3.3Å; I1-S4 PolarHBondContact O-N 3.09Å; I1-S4 VanDerWaalsContact O-N 3.08Å; I1-E5 PolarHBondContact O-N 3.04Å
2M58Low66.1Low143 Ų143110.9 Ų110.970%0.70458%0.584SS**Hα-helixtrans-56.2-42.1176.6-132.8163.468.100115.3S4 E5 N6M2-S4 VanDerWaalsContact C-N 3.28Å; M2-S4 PolarHBondContact O-N 2.89Å; M2-E5 PolarHBondContact O-N 3.29Å; M2-N6 PolarHBondContact O-N 2.8Å
3D61.2Low66.7Low134 Ų134114.3 Ų114.372%0.71759%0.586SS**Hα-helixtrans-69.3-24.6176.8-77.2-25.7000113.8I1 N7I1-D3 PolarHBondContact O-N 3.49Å; D3-N7 VanDerWaalsContact O-CB 3.29Å; D3-N7 WeakPolarHBondContact O-CB 3.42Å; D3-N7 PolarHBondContact O-N 3.46Å
4S62.8Low67.1Low79 Ų79115.6 Ų115.655%0.55259%0.586SS**Hα-helixtrans-74.1-44.8175.6163.90000110.2I1 M2 N7 V8I1-S4 WeakPolarHBondContact O-CB 3.3Å; I1-S4 PolarHBondContact O-N 3.09Å; I1-S4 VanDerWaalsContact O-N 3.08Å; M2-S4 VanDerWaalsContact C-N 3.28Å; M2-S4 PolarHBondContact O-N 2.89Å; S4-N7 PolarHBondContact O-N 2.72Å; S4-V8 VanDerWaalsContact O-CG2 3.27Å; S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 2.77Å
5E64.4Low67.3Low113 Ų113116.1 Ų116.153%0.52858%0.582SS.*Hα-helixtrans-65.8-43.2178.1-73.4176.4155.400112.5I1 M2 N7 V8 L9I1-E5 PolarHBondContact O-N 3.04Å; M2-E5 PolarHBondContact O-N 3.29Å; E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.09Å; E5-V8 PolarHBondContact O-N 3.33Å; E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 2.92Å
6N68.1Low67.5Low97 Ų97116.8 Ų116.852%0.51959%0.585SS.*Hα-helixtrans-63-35.3177-81-19.1000112.9M2 S10M2-N6 PolarHBondContact O-N 2.8Å; N6-S10 VanDerWaalsContact O-CB 3.28Å; N6-S10 WeakPolarHBondContact O-CB 3.23Å; N6-S10 PolarHBondContact O-N 3.31Å
7N70Confident67.6Low98 Ų98115.6 Ų115.652%0.52458%0.579SS.*Hα-helixtrans-76.5-31179.3-150.5-6.6000111.8D3 S4 E5 K11D3-N7 VanDerWaalsContact O-CB 3.29Å; D3-N7 WeakPolarHBondContact O-CB 3.42Å; D3-N7 PolarHBondContact O-N 3.46Å; S4-N7 PolarHBondContact O-N 2.72Å; E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.09Å; N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.39Å; N7-K11 PolarHBondContact O-N 2.88Å; N7-K11 VanDerWaalsContact O-N 3.15Å
8V68.4Low67.8Low75 Ų75112.3 Ų112.346%0.45557%0.566SS.*Hα-helixtrans-67.4-49.5170.21720000110.5S4 E5 S10 K11 E12S4-V8 VanDerWaalsContact O-CG2 3.27Å; S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 2.77Å; E5-V8 PolarHBondContact O-N 3.33Å; V8-S10 PolarHBondContact O-N 2.87Å; V8-K11 PolarHBondContact O-N 2.74Å; V8-E12 WeakPolarHBondContact O-CG 3.4Å; V8-E12 PolarHBondContact O-N 3.18Å
9L68.8Low67.8Low82 Ų82111.3 Ų111.343%0.42956%0.562SS.*Hα-helixtrans-58-46.2176.3-105.6143.7000111.8E5 K11 E12 Y13E5-L9 WeakPolarHBondContact O-CB 3.48Å; E5-L9 PolarHBondContact O-N 2.92Å; L9-K11 VanDerWaalsContact C-N 3.35Å; L9-K11 PolarHBondContact O-N 3.28Å; L9-E12 PolarHBondContact O-N 3.15Å; L9-Y13 HydrophobicContact CD2-CD2 3.97Å; L9-Y13 HydrophobicContact CD2-CE2 3.57Å; L9-Y13 VanDerWaalsContact O-CD2 3.3Å; L9-Y13 WeakPolarHBondContact O-CD2 3.47Å; L9-Y13 PolarHBondContact O-N 3.39Å
10S71.5Confident67.8Low72 Ų72111.8 Ų111.850%0.50356%0.564SS.*Hα-helixtrans-60-42.4177.2179.80000112.6N6 V8 Y13 F14N6-S10 VanDerWaalsContact O-CB 3.28Å; N6-S10 WeakPolarHBondContact O-CB 3.23Å; N6-S10 PolarHBondContact O-N 3.31Å; V8-S10 PolarHBondContact O-N 2.87Å; S10-Y13 PolarHBondContact O-N 3.07Å; S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 3.1Å
11K70.1Confident68.1Low146 Ų146110.5 Ų110.564%0.63556%0.558SS**Hα-helixtrans-65.6-39.1174.7-80.4179.1-179.6175.70112.6N7 V8 L9 K15N7-K11 WeakPolarHBondContact O-CB 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.39Å; N7-K11 PolarHBondContact O-N 2.88Å; N7-K11 VanDerWaalsContact O-N 3.15Å; V8-K11 PolarHBondContact O-N 2.74Å; L9-K11 VanDerWaalsContact C-N 3.35Å; L9-K11 PolarHBondContact O-N 3.28Å; K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.31Å; K11-K15 PolarHBondContact O-N 3.49Å
12E73Confident68.7Low115 Ų115104.9 Ų104.954%0.53753%0.532SS..Hα-helixtrans-66.3-43176.4-74-173.5160.500111.7V8 L9 K15 M16V8-E12 WeakPolarHBondContact O-CG 3.4Å; V8-E12 PolarHBondContact O-N 3.18Å; L9-E12 PolarHBondContact O-N 3.15Å; E12-K15 PolarHBondContact O-N 3.49Å; E12-M16 WeakPolarHBondContact O-CB 3.18Å; E12-M16 PolarHBondContact O-N 2.88Å
13Y73.4Confident69.3Low155 Ų155101.9 Ų101.961%0.60852%0.518SS*.Hα-helixtrans-61.7-46.2173.6-92.8-77.3000112.3L9 S10 K15 M16 M17L9-Y13 HydrophobicContact CD2-CD2 3.97Å; L9-Y13 HydrophobicContact CD2-CE2 3.57Å; L9-Y13 VanDerWaalsContact O-CD2 3.3Å; L9-Y13 WeakPolarHBondContact O-CD2 3.47Å; L9-Y13 PolarHBondContact O-N 3.39Å; S10-Y13 PolarHBondContact O-N 3.07Å; Y13-K15 VanDerWaalsContact C-N 3.3Å; Y13-K15 PolarHBondContact O-N 2.76Å; Y13-M16 PolarHBondContact O-N 3.1Å; Y13-M17 WeakPolarHBondContact O-CB 3.19Å; Y13-M17 PolarHBondContact O-N 3.14Å
14F72.4Confident69.9Low132 Ų13298.8 Ų98.858%0.57951%0.506SS*.Hα-helixtrans-62.4-40.3177.9-170.9-92.9000111.6S10 M17 T18S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 3.1Å; F14-M17 HydrophobicContact CD2-CE 3.99Å; F14-M17 HydrophobicContact CE2-CE 4.21Å; F14-T18 WeakPolarHBondContact O-CB 3.22Å; F14-T18 PolarHBondContact O-N 3.04Å; F14-T18 PolarHBondContact O-OG1 2.88Å
15K70.2Confident70.5Confident124 Ų12499.5 Ų99.554%0.53950%0.503SS..Hα-helixtrans-65.1-47.4175.1-176.8-177.3172-164.50111.7K11 E12 Y13 M17 T18 D19K11-K15 VanDerWaalsContact O-CB 3.24Å; K11-K15 WeakPolarHBondContact O-CB 3.31Å; K11-K15 PolarHBondContact O-N 3.49Å; E12-K15 PolarHBondContact O-N 3.49Å; Y13-K15 VanDerWaalsContact C-N 3.3Å; Y13-K15 PolarHBondContact O-N 2.76Å; K15-M17 VanDerWaalsContact C-N 3.34Å; K15-M17 PolarHBondContact O-N 3.48Å; K15-T18 PolarHBondContact O-N 3.03Å; K15-D19 WeakPolarHBondContact O-CB 3.42Å; K15-D19 PolarHBondContact O-N 3.25Å
16M71Confident70.7Confident126 Ų12694.4 Ų94.462%0.62148%0.479SS*.Hα-helixtrans-58.2-44.9175.1-90177.754.300112E12 Y13 D19 M20E12-M16 WeakPolarHBondContact O-CB 3.18Å; E12-M16 PolarHBondContact O-N 2.88Å; Y13-M16 PolarHBondContact O-N 3.1Å; M16-D19 PolarHBondContact O-N 2.77Å; M16-M20 WeakPolarHBondContact O-CB 3.3Å; M16-M20 PolarHBondContact O-N 2.86Å
17M69.3Low70.9Confident97 Ų9792.9 Ų92.948%0.47847%0.471SS..Hα-helixtrans-64.1-42.3178.2-175177.464.300111.3Y13 F14 K15 M20 I21Y13-M17 WeakPolarHBondContact O-CB 3.19Å; Y13-M17 PolarHBondContact O-N 3.14Å; F14-M17 HydrophobicContact CD2-CE 3.99Å; F14-M17 HydrophobicContact CE2-CE 4.21Å; K15-M17 VanDerWaalsContact C-N 3.34Å; K15-M17 PolarHBondContact O-N 3.48Å; M17-M20 PolarHBondContact O-N 3.44Å; M17-I21 HydrophobicContact CG-CD1 4.06Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.35Å; M17-I21 PolarHBondContact O-N 3.21Å
18T71.4Confident71.1Confident56 Ų5690.9 Ų90.934%0.34447%0.468SS..Hα-helixtrans-63-45.8175.1-54.60000111.1F14 K15 M20 I21 V22F14-T18 WeakPolarHBondContact O-CB 3.22Å; F14-T18 PolarHBondContact O-N 3.04Å; F14-T18 PolarHBondContact O-OG1 2.88Å; K15-T18 PolarHBondContact O-N 3.03Å; T18-M20 VanDerWaalsContact C-N 3.3Å; T18-M20 PolarHBondContact O-N 3.35Å; T18-I21 PolarHBondContact O-N 2.88Å; T18-V22 VanDerWaalsContact O-CG2 3.3Å; T18-V22 WeakPolarHBondContact O-CG2 3.5Å; T18-V22 PolarHBondContact O-N 2.79Å
19D67.6Low71.3Confident94 Ų9491 Ų9150%0.50347%0.466SS..Hα-helixtrans-61.5-39.4177.8-70.2-19.9000111K15 M16 V22 L23K15-D19 WeakPolarHBondContact O-CB 3.42Å; K15-D19 PolarHBondContact O-N 3.25Å; M16-D19 PolarHBondContact O-N 2.77Å; D19-V22 PolarHBondContact O-N 3.32Å; D19-L23 WeakPolarHBondContact O-CB 3.07Å; D19-L23 PolarHBondContact O-N 2.97Å
20M67.5Low71.3Confident120 Ų12087.4 Ų87.459%0.59145%0.447SS*.Hα-helixtrans-67.5-42.9176.4-164.5179.88400112.2M16 M17 T18 L23 C24M16-M20 WeakPolarHBondContact O-CB 3.3Å; M16-M20 PolarHBondContact O-N 2.86Å; M17-M20 PolarHBondContact O-N 3.44Å; T18-M20 VanDerWaalsContact C-N 3.3Å; T18-M20 PolarHBondContact O-N 3.35Å; M20-L23 PolarHBondContact O-N 2.81Å; M20-C24 WeakPolarHBondContact O-CB 3.33Å; M20-C24 PolarHBondContact O-N 2.84Å; M20-C24 PolarHBondContact O-SG 3.16Å
21I74.3Confident71.4Confident85 Ų8588.1 Ų88.144%0.43645%0.445SS..Hα-helixtrans-62-46.3175.5-70.9165.8000110.4M17 T18 L23 C24 I25M17-I21 HydrophobicContact CG-CD1 4.06Å; M17-I21 VanDerWaalsContact O-CG1 3.26Å; M17-I21 WeakPolarHBondContact O-CG1 3.35Å; M17-I21 PolarHBondContact O-N 3.21Å; T18-I21 PolarHBondContact O-N 2.88Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 2.95Å; I21-C24 PolarHBondContact O-N 3.49Å; I21-I25 HydrophobicContact CG2-CD1 3.66Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CB 3.47Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 3.32Å
22V70.3Confident71.6Confident60 Ų6083.7 Ų83.736%0.36443%0.432SS..Hα-helixtrans-60.7-42.3177.1170.60000111T18 D19 T26 L63T18-V22 VanDerWaalsContact O-CG2 3.3Å; T18-V22 WeakPolarHBondContact O-CG2 3.5Å; T18-V22 PolarHBondContact O-N 2.79Å; D19-V22 PolarHBondContact O-N 3.32Å; V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.04Å; V22-T26 PolarHBondContact O-OG1 3.2Å; V22-L63 HydrophobicContact CG1-CD2 3.85Å
23L69.4Low71.6Confident79 Ų7982.6 Ų82.641%0.41443%0.426SS..Hα-helixtrans-62.4-48.6176.1-17965000111.6D19 M20 I21 I25 T26 L27 L60D19-L23 WeakPolarHBondContact O-CB 3.07Å; D19-L23 PolarHBondContact O-N 2.97Å; M20-L23 PolarHBondContact O-N 2.81Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L23 PolarHBondContact O-N 2.95Å; L23-I25 PolarHBondContact O-N 2.85Å; L23-T26 PolarHBondContact O-N 2.68Å; L23-L27 HydrophobicContact CD1-CD1 4.29Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.91Å; L23-L60 HydrophobicContact CD1-CD1 4.24Å; L23-L60 HydrophobicContact CD1-CD2 4.01Å
24C73.3Confident71.5Confident70 Ų7078.6 Ų78.647%0.47341%0.41SS..Hα-helixtrans-61.1-43.8178.5-71.80000112.2M20 I21 T26 L27 A28M20-C24 WeakPolarHBondContact O-CB 3.33Å; M20-C24 PolarHBondContact O-N 2.84Å; M20-C24 PolarHBondContact O-SG 3.16Å; I21-C24 PolarHBondContact O-N 3.49Å; C24-T26 VanDerWaalsContact C-N 3.33Å; C24-T26 PolarHBondContact O-N 3.46Å; C24-L27 PolarHBondContact O-N 2.94Å; C24-A28 WeakPolarHBondContact O-CB 3.44Å; C24-A28 PolarHBondContact O-N 2.83Å
25I76.6Confident71.7Confident93 Ų9376.9 Ų76.948%0.47741%0.406SS..Hα-helixtrans-62.6-42.6175.3-69.5169.7000110.4I21 L23 A28 L29I21-I25 HydrophobicContact CG2-CD1 3.66Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CB 3.47Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 3.32Å; L23-I25 PolarHBondContact O-N 2.85Å; I25-A28 PolarHBondContact O-N 2.9Å; I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CB 3.38Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.24Å
26T69.1Low71.9Confident6 Ų674.7 Ų74.74%0.03740%0.402CS..Hα-helixtrans-65.6-42.2179.2-56.20000111.9V22 L23 C24 L29 S30 I59 L60V22-T26 WeakPolarHBondContact O-CB 3.44Å; V22-T26 PolarHBondContact O-N 3.04Å; V22-T26 PolarHBondContact O-OG1 3.2Å; L23-T26 PolarHBondContact O-N 2.68Å; C24-T26 VanDerWaalsContact C-N 3.33Å; C24-T26 PolarHBondContact O-N 3.46Å; T26-L29 PolarHBondContact O-N 2.91Å; T26-S30 VanDerWaalsContact O-CB 3.28Å; T26-S30 WeakPolarHBondContact O-CB 3.32Å; T26-S30 PolarHBondContact O-N 3.45Å; T26-I59 HydrophobicContact CG2-CB 3.76Å; T26-I59 HydrophobicContact CG2-CG2 3.4Å; T26-L60 HydrophobicContact CG2-CD2 3.33Å; T26-L60 HydrophobicContact CG2-CG 3.6Å
27L71Confident71.8Confident66 Ų6669.9 Ų69.935%0.34638%0.381SS..Hα-helixtrans-61.6-44.6174.2-75.2166.4000111.1L23 C24 S30 L31 L56L23-L27 HydrophobicContact CD1-CD1 4.29Å; L23-L27 HydrophobicContact CD1-CG 4.43Å; L23-L27 HydrophobicContact CG-CD1 4Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.91Å; C24-L27 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-N 3.28Å; L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 2.85Å; L27-L56 HydrophobicContact CD2-CD1 3.58Å; L27-L56 HydrophobicContact CD2-CD2 4Å; L27-L56 HydrophobicContact CD2-CG 4.46Å; L27-L56 HydrophobicContact CG-CD1 4.32Å
28A74Confident71.9Confident56 Ų5668.1 Ų68.146%0.46337%0.373SS..Hα-helixtrans-63-43.9177.800000112.3C24 I25 L31 S32C24-A28 WeakPolarHBondContact O-CB 3.44Å; C24-A28 PolarHBondContact O-N 2.83Å; I25-A28 PolarHBondContact O-N 2.9Å; A28-L31 PolarHBondContact O-N 3.22Å; A28-S32 WeakPolarHBondContact O-CB 3.42Å; A28-S32 PolarHBondContact O-N 3.06Å; A28-S32 PolarHBondContact O-OG 3.19Å
29L73.5Confident72Confident78 Ų7869.2 Ų69.241%0.40838%0.38SS..Hα-helixtrans-64.6-43.3175.2-76169.9000112.1I25 T26 L31 S32 F33 I59I25-L29 HydrophobicContact CG2-CD1 3.91Å; I25-L29 HydrophobicContact CG2-CG 4.42Å; I25-L29 WeakPolarHBondContact O-CB 3.38Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.24Å; T26-L29 PolarHBondContact O-N 2.91Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.84Å; L29-S32 WeakPolarHBondContact CA-OG 3.48Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.3Å; L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 2.73Å; L29-I59 HydrophobicContact CB-CD1 4.36Å
30S68.7Low71.7Confident5 Ų570.2 Ų70.24%0.03538%0.383CS..Hα-helixtrans-60.5-44.9176179.30000111.5T26 L27 W34 W55 L56T26-S30 VanDerWaalsContact O-CB 3.28Å; T26-S30 WeakPolarHBondContact O-CB 3.32Å; T26-S30 PolarHBondContact O-N 3.45Å; L27-S30 PolarHBondContact O-N 3.28Å; S30-W34 WeakPolarHBondContact O-CB 3.48Å; S30-W34 PolarHBondContact O-N 2.88Å; S30-W55 WeakPolarHBondContact OG-CB 3.29Å; S30-L56 VanDerWaalsContact OG-CA 3.28Å; S30-L56 WeakPolarHBondContact OG-CA 3.35Å; S30-L56 PolarHBondContact OG-N 3.3Å
31L73.3Confident71.7Confident87 Ų8765.5 Ų65.546%0.45536%0.362SS..Hα-helixtrans-67.2-41179-75.7166.8000111.5L27 A28 L29 W34 I35L27-L31 WeakPolarHBondContact O-CB 3.37Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.36Å; L27-L31 PolarHBondContact O-N 2.85Å; A28-L31 PolarHBondContact O-N 3.22Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.84Å; L31-W34 HydrophobicContact CD2-CE3 4.4Å; L31-W34 PolarHBondContact O-N 3.47Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 3.1Å
32S74.3Confident71.4Confident53 Ų5365.4 Ų65.437%0.37137%0.374SS..Hα-helixtrans-65.1-44.5178.465.60000111.7A28 L29 W34 I35 V36A28-S32 WeakPolarHBondContact O-CB 3.42Å; A28-S32 PolarHBondContact O-N 3.06Å; A28-S32 PolarHBondContact O-OG 3.19Å; L29-S32 WeakPolarHBondContact CA-OG 3.48Å; L29-S32 PolarHBondContact O-N 3.32Å; L29-S32 PolarHBondContact O-OG 3.3Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 3.1Å; S32-I35 PolarHBondContact O-N 2.98Å; S32-V36 WeakPolarHBondContact O-CG2 3.28Å; S32-V36 PolarHBondContact O-N 2.62Å
33F73.8Confident71.5Confident92 Ų9268.5 Ų68.540%0.40439%0.393SS..Hα-helixtrans-63.7-37.8174.6-77.8-54.2000112.9L29 V36 S37 W55 I59L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 2.73Å; F33-V36 PolarHBondContact O-N 3.24Å; F33-S37 WeakPolarHBondContact O-CB 3.5Å; F33-S37 PolarHBondContact O-N 3.21Å; F33-W55 HydrophobicContact CB-CD2 3.76Å; F33-W55 HydrophobicContact CB-CE3 3.41Å; F33-W55 VanDerWaalsContact CB-CE3 3.41Å; F33-W55 HydrophobicContact CB-CH2 3.6Å; F33-W55 HydrophobicContact CB-CZ2 3.91Å; F33-W55 HydrophobicContact CB-CZ3 3.31Å; F33-W55 HydrophobicContact CD1-CH2 4.11Å; F33-W55 HydrophobicContact CD1-CZ3 4.07Å; F33-W55 HydrophobicContact CD2-CE3 4.06Å; F33-W55 AromaticContact CD2-CZ3 3.72Å; F33-W55 HydrophobicContact CD2-CZ3 3.72Å; F33-W55 AromaticContact CG-CE3 3.94Å; F33-W55 HydrophobicContact CG-CE3 3.94Å; F33-W55 AromaticContact CG-CH2 3.87Å; F33-W55 HydrophobicContact CG-CH2 3.87Å; F33-W55 AromaticContact CG-CZ3 3.45Å; F33-W55 HydrophobicContact CG-CZ3 3.45Å; F33-W55 VanDerWaalsContact CG-CZ3 3.45Å; F33-I59 HydrophobicContact CD2-CD1 4.4Å
34W71.6Confident71.3Confident72 Ų7267.4 Ų67.427%0.27339%0.392SS..Hα-helixtrans-63.3-44.4174.2178.961.1000112.1S30 L31 S32 V36 S37 L38 V50 P52 W55S30-W34 WeakPolarHBondContact O-CB 3.48Å; S30-W34 PolarHBondContact O-N 2.88Å; L31-W34 HydrophobicContact CD2-CE3 4.4Å; L31-W34 PolarHBondContact O-N 3.47Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 3.1Å; W34-V36 VanDerWaalsContact C-N 3.33Å; W34-V36 PolarHBondContact O-N 3.38Å; W34-S37 PolarHBondContact O-N 3.43Å; W34-L38 HydrophobicContact CD2-CD1 3.8Å; W34-L38 HydrophobicContact CD2-CG 4.37Å; W34-L38 VanDerWaalsContact CE2-CD1 3.45Å; W34-L38 HydrophobicContact CE3-CD1 4.03Å; W34-L38 HydrophobicContact CH2-CD1 3.71Å; W34-L38 HydrophobicContact CZ2-CD1 3.44Å; W34-L38 VanDerWaalsContact CZ2-CD1 3.44Å; W34-L38 HydrophobicContact CZ2-CD2 4.43Å; W34-L38 HydrophobicContact CZ2-CG 4.23Å; W34-L38 HydrophobicContact CZ3-CD1 3.99Å; W34-L38 WeakPolarHBondContact O-CG 3.48Å; W34-L38 PolarHBondContact O-N 3.5Å; W34-V50 PolarHBondContact NE1-O 3.1Å; W34-P52 HydrophobicContact CD2-CB 3.9Å; W34-P52 HydrophobicContact CD2-CG 3.95Å; W34-P52 HydrophobicContact CE3-CB 4.44Å; W34-P52 HydrophobicContact CG-CB 3.94Å; W34-P52 HydrophobicContact CG-CG 4.31Å; W34-P52 HydrophobicContact CH2-CG 4.39Å; W34-P52 HydrophobicContact CZ2-CG 3.74Å; W34-W55 HydrophobicContact CB-CG 4.46Å
35I74.9Confident70.5Confident95 Ų9567.1 Ų67.149%0.48740%0.4SS..Hα-helixtrans-61-42.3175.5-69.1164.8000110.8L31 S32 L38 T39L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 3.1Å; S32-I35 PolarHBondContact O-N 2.98Å; I35-L38 PolarHBondContact O-N 3.16Å; I35-T39 WeakPolarHBondContact O-CB 3.26Å; I35-T39 PolarHBondContact O-N 2.85Å; I35-T39 PolarHBondContact O-OG1 2.9Å
36V75.4Confident69.5Low78 Ų7870 Ų7047%0.47342%0.417SS..Hα-helixtrans-62.2-45.4175171.30000110.8S32 F33 W34 L38 T39 M40S32-V36 WeakPolarHBondContact O-CG2 3.28Å; S32-V36 PolarHBondContact O-N 2.62Å; F33-V36 PolarHBondContact O-N 3.24Å; W34-V36 VanDerWaalsContact C-N 3.33Å; W34-V36 PolarHBondContact O-N 3.38Å; V36-L38 PolarHBondContact O-N 3.26Å; V36-T39 PolarHBondContact O-N 3.46Å; V36-M40 HydrophobicContact CG1-CG 4.45Å; V36-M40 HydrophobicContact CG1-SD 4.28Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.45Å
37S68.8Low69Low25 Ų2574.2 Ų74.218%0.17544%0.439CS..Hα-helixtrans-61.4-42.6177.7179.70000112.3F33 W34 M40 S41F33-S37 WeakPolarHBondContact O-CB 3.5Å; F33-S37 PolarHBondContact O-N 3.21Å; W34-S37 PolarHBondContact O-N 3.43Å; S37-M40 PolarHBondContact O-N 2.91Å; S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.41Å
38L71.9Confident68.6Low60 Ų6079.4 Ų79.431%0.31446%0.461SS..Hα-helixtrans-61.6-43.5173-77.4174.2000112W34 I35 V36 S41 A42 P49W34-L38 HydrophobicContact CD2-CD1 3.8Å; W34-L38 HydrophobicContact CD2-CG 4.37Å; W34-L38 VanDerWaalsContact CE2-CD1 3.45Å; W34-L38 HydrophobicContact CE3-CD1 4.03Å; W34-L38 HydrophobicContact CH2-CD1 3.71Å; W34-L38 HydrophobicContact CZ2-CD1 3.44Å; W34-L38 VanDerWaalsContact CZ2-CD1 3.44Å; W34-L38 HydrophobicContact CZ2-CD2 4.43Å; W34-L38 HydrophobicContact CZ2-CG 4.23Å; W34-L38 HydrophobicContact CZ3-CD1 3.99Å; W34-L38 WeakPolarHBondContact O-CG 3.48Å; W34-L38 PolarHBondContact O-N 3.5Å; I35-L38 PolarHBondContact O-N 3.16Å; V36-L38 PolarHBondContact O-N 3.26Å; L38-S41 WeakPolarHBondContact O-CB 3.47Å; L38-S41 PolarHBondContact O-N 3.42Å; L38-A42 WeakPolarHBondContact O-CB 3.13Å; L38-A42 PolarHBondContact O-N 3.09Å; L38-P49 HydrophobicContact CD2-CB 3.7Å; L38-P49 HydrophobicContact CD2-CG 3.98Å
39T72.6Confident68.4Low80 Ų8079.4 Ų79.449%0.49146%0.456SS..Hα-helixtrans-65.8-43.6-179.7-52.30000110.5I35 V36 A42 V43I35-T39 WeakPolarHBondContact O-CB 3.26Å; I35-T39 PolarHBondContact O-N 2.85Å; I35-T39 PolarHBondContact O-OG1 2.9Å; V36-T39 PolarHBondContact O-N 3.46Å; T39-A42 PolarHBondContact O-N 3.33Å; T39-V43 WeakPolarHBondContact O-CB 3.39Å; T39-V43 VanDerWaalsContact O-CG2 3.25Å; T39-V43 WeakPolarHBondContact O-CG2 3.4Å; T39-V43 PolarHBondContact O-N 2.84Å
40M62.2Low68.7Low115 Ų11576.4 Ų76.457%0.56744%0.441SS*.Hα-helixtrans-62.6-42.2174.8-74.4-173.565.800112.1V36 S37 V43 S44V36-M40 HydrophobicContact CG1-CG 4.45Å; V36-M40 HydrophobicContact CG1-SD 4.28Å; V36-M40 WeakPolarHBondContact O-CG 3.3Å; V36-M40 PolarHBondContact O-N 3.45Å; S37-M40 PolarHBondContact O-N 2.91Å; M40-V43 PolarHBondContact O-N 3.06Å; M40-S44 VanDerWaalsContact O-CB 3.3Å; M40-S44 WeakPolarHBondContact O-CB 3.22Å; M40-S44 PolarHBondContact O-N 2.76Å; M40-S44 PolarHBondContact O-OG 3.48Å
41S66.6Low69.3Low21 Ų2178.8 Ų78.815%0.14746%0.458CS..Hα-helixtrans-60-47.4174167.80000112S37 L38 V43 S44 G45 L47S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.44Å; S37-S41 PolarHBondContact O-N 3.41Å; L38-S41 WeakPolarHBondContact O-CB 3.47Å; L38-S41 PolarHBondContact O-N 3.42Å; S41-V43 VanDerWaalsContact C-N 3.32Å; S41-V43 PolarHBondContact O-N 3.13Å; S41-S44 PolarHBondContact O-N 3.42Å; S41-S44 PolarHBondContact O-OG 3.01Å; S41-G45 PolarHBondContact O-N 3.23Å; S41-L47 VanDerWaalsContact CB-O 3.23Å; S41-L47 WeakPolarHBondContact CB-O 3.45Å; S41-L47 PolarHBondContact OG-O 3.48Å
42A67.8Low69.7Low82 Ų8276.7 Ų76.768%0.67845%0.449SS*.Hα-helixtrans-64-34.7178.700000113.1L38 T39L38-A42 WeakPolarHBondContact O-CB 3.13Å; L38-A42 PolarHBondContact O-N 3.09Å; T39-A42 PolarHBondContact O-N 3.33Å
43V73.6Confident70.2Confident126 Ų12682.6 Ų82.676%0.76446%0.463SS*.Hα-helixtrans-78.3-34.6178.3172.20000112.3T39 M40 S41T39-V43 WeakPolarHBondContact O-CB 3.39Å; T39-V43 VanDerWaalsContact O-CG2 3.25Å; T39-V43 WeakPolarHBondContact O-CG2 3.4Å; T39-V43 PolarHBondContact O-N 2.84Å; M40-V43 PolarHBondContact O-N 3.06Å; S41-V43 VanDerWaalsContact C-N 3.32Å; S41-V43 PolarHBondContact O-N 3.13Å
44S65.3Low71Confident56 Ų5679.7 Ų79.739%0.39245%0.45SS..Hα-helixtrans-92.6-13.3-175.658.30000114.5M40 S41 N46 L47M40-S44 VanDerWaalsContact O-CB 3.3Å; M40-S44 WeakPolarHBondContact O-CB 3.22Å; M40-S44 PolarHBondContact O-N 2.76Å; M40-S44 PolarHBondContact O-OG 3.48Å; S41-S44 PolarHBondContact O-N 3.42Å; S41-S44 PolarHBondContact O-OG 3.01Å; S44-N46 PolarHBondContact O-N 3.48Å; S44-L47 WeakPolarHBondContact OG-CD1 3.3Å
45G55.8Low71.7Confident63 Ų6377.7 Ų77.765%0.64944%0.442SS*.SBendtrans69.4-14.3174.200000116.4S41S41-G45 PolarHBondContact O-N 3.23Å
46N56.1Low72.4Confident155 Ų15574.5 Ų74.583%0.82943%0.426SS*.SBendtrans-123.2-6-169.3-75.6-19.3000114.9S44S44-N46 PolarHBondContact O-N 3.48Å
47L58.7Low73.1Confident94 Ų9476.1 Ų76.149%0.49243%0.427SS..PPolyproline II helixtrans-92.8120.7-178.1-79.8163.6000110.7S41 S44 P49S41-L47 VanDerWaalsContact CB-O 3.23Å; S41-L47 WeakPolarHBondContact CB-O 3.45Å; S41-L47 PolarHBondContact OG-O 3.48Å; S44-L47 WeakPolarHBondContact OG-CD1 3.3Å; L47-P49 WeakPolarHBondContact O-CD 3.33Å
48Q62.4Low74.2Confident175 Ų17575 Ų7582%0.81842%0.419SS*.PPolyproline II helixtrans-66.4121.4167-75.6-88.4-23.200108.9
49P68.8Low75Confident55 Ų5573.5 Ų73.536%0.35741%0.411SS..PPolyproline II helixtrans-70.7134.7-178.327.3-32.2000110.8L38 L47L38-P49 HydrophobicContact CD2-CB 3.7Å; L38-P49 HydrophobicContact CD2-CG 3.98Å; L47-P49 WeakPolarHBondContact O-CD 3.33Å
50V79.4Confident75.9Confident15 Ų1572.1 Ų72.19%0.09140%0.4CS..PPolyproline II helixtrans-65.2136.5175.5178.60000109.7W34 R54 M92 P157W34-V50 PolarHBondContact NE1-O 3.1Å; V50-R54 HydrophobicContact CG1-CB 3.72Å; V50-R54 HydrophobicContact CG1-CG 3.92Å; V50-M92 HydrophobicContact CB-CE 4.21Å; V50-M92 HydrophobicContact CG1-CE 3.76Å; V50-M92 HydrophobicContact CG1-SD 4.44Å; V50-M92 HydrophobicContact CG2-CE 4.08Å; V50-P157 HydrophobicContact CG2-CB 3.92Å; V50-P157 HydrophobicContact CG2-CG 3.31Å
51S82.9Confident77.4Confident55 Ų5568.1 Ų68.139%0.38538%0.382SS..PPolyproline II helixtrans-59.6143.3-179.274.50000111.8W53 R54 W55S51-W53 PolarHBondContact O-N 2.93Å; S51-R54 PolarHBondContact O-N 2.83Å; S51-R54 PolarHBondContact OG-N 3.16Å; S51-W55 PolarHBondContact O-N 3.07Å
52P81.8Confident78.7Confident43 Ų4367.3 Ų67.328%0.27938%0.376SS..Hα-helixtrans-59.4-30.91783.4-5.1000112.1W34 W55 L56W34-P52 HydrophobicContact CD2-CB 3.9Å; W34-P52 HydrophobicContact CD2-CG 3.95Å; W34-P52 HydrophobicContact CE3-CB 4.44Å; W34-P52 HydrophobicContact CG-CB 3.94Å; W34-P52 HydrophobicContact CG-CG 4.31Å; W34-P52 HydrophobicContact CH2-CG 4.39Å; W34-P52 HydrophobicContact CZ2-CG 3.74Å; P52-W55 PolarHBondContact O-N 3.27Å; P52-L56 PolarHBondContact O-N 3.43Å
53W84.6Confident79.9Confident177 Ų17765.8 Ų65.867%0.6736%0.357SS*.Hα-helixtrans-63.1-43174.6-59.8120.9000112.2S51 W55 L56 F57S51-W53 PolarHBondContact O-N 2.93Å; W53-W55 PolarHBondContact O-N 3.19Å; W53-L56 HydrophobicContact CE3-CD2 4.16Å; W53-L56 HydrophobicContact CZ3-CD2 4.17Å; W53-L56 WeakPolarHBondContact O-CB 3.28Å; W53-L56 PolarHBondContact O-N 3.45Å; W53-F57 HydrophobicContact CB-CD2 4.34Å; W53-F57 HydrophobicContact CB-CE2 4.4Å; W53-F57 WeakPolarHBondContact O-CB 3.37Å; W53-F57 WeakPolarHBondContact O-CD2 3.36Å; W53-F57 PolarHBondContact O-N 3.24Å
54R89.6Confident80.8Confident32 Ų3263.5 Ų63.512%0.12134%0.339CS..Hα-helixtrans-64.3-41.6178.4-177.6173.2-66.6169.13.2111.5V50 S51 L56 F57 S58 M92 G158 E159V50-R54 HydrophobicContact CG1-CB 3.72Å; V50-R54 HydrophobicContact CG1-CG 3.92Å; S51-R54 PolarHBondContact O-N 2.83Å; S51-R54 PolarHBondContact OG-N 3.16Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 2.97Å; R54-F57 PolarHBondContact O-N 2.94Å; R54-S58 VanDerWaalsContact O-CB 3.29Å; R54-S58 WeakPolarHBondContact O-CB 3.44Å; R54-S58 PolarHBondContact O-N 3.49Å; R54-S58 PolarHBondContact O-OG 3.4Å; R54-M92 WeakPolarHBondContact CD-O 2.97Å; R54-M92 HydrophobicContact CG-SD 4.14Å; R54-G158 VanDerWaalsContact NH1-N 3.17Å; R54-E159 IonicContact CZ-OE1 3.52Å; R54-E159 IonicContact CZ-OE2 3.82Å; R54-E159 IonicContact NH2-OE1 2.77Å; R54-E159 PolarHBondContact NH2-OE1 2.9Å; R54-E159 IonicContact NH2-OE2 2.66Å; R54-E159 PolarHBondContact NH2-OE2 2.97Å
55W87.4Confident82.2Confident30 Ų3061.8 Ų61.811%0.11433%0.325CS..Hα-helixtrans-55.3-48.3171.5-82.6105.6000111.5S30 F33 W34 S51 P52 W53 F57 S58 I59 F88 M92S30-W55 WeakPolarHBondContact OG-CB 3.29Å; F33-W55 HydrophobicContact CB-CD2 3.76Å; F33-W55 HydrophobicContact CB-CE3 3.41Å; F33-W55 VanDerWaalsContact CB-CE3 3.41Å; F33-W55 HydrophobicContact CB-CH2 3.6Å; F33-W55 HydrophobicContact CB-CZ2 3.91Å; F33-W55 HydrophobicContact CB-CZ3 3.31Å; F33-W55 HydrophobicContact CD1-CH2 4.11Å; F33-W55 HydrophobicContact CD1-CZ3 4.07Å; F33-W55 HydrophobicContact CD2-CE3 4.06Å; F33-W55 AromaticContact CD2-CZ3 3.72Å; F33-W55 HydrophobicContact CD2-CZ3 3.72Å; F33-W55 AromaticContact CG-CE3 3.94Å; F33-W55 HydrophobicContact CG-CE3 3.94Å; F33-W55 AromaticContact CG-CH2 3.87Å; F33-W55 HydrophobicContact CG-CH2 3.87Å; F33-W55 AromaticContact CG-CZ3 3.45Å; F33-W55 HydrophobicContact CG-CZ3 3.45Å; F33-W55 VanDerWaalsContact CG-CZ3 3.45Å; W34-W55 HydrophobicContact CB-CG 4.46Å; S51-W55 PolarHBondContact O-N 3.07Å; P52-W55 PolarHBondContact O-N 3.27Å; W53-W55 PolarHBondContact O-N 3.19Å; W55-F57 PolarHBondContact O-N 3.28Å; W55-S58 PolarHBondContact O-N 2.83Å; W55-S58 PolarHBondContact O-OG 3.06Å; W55-I59 PolarHBondContact O-N 2.88Å; W55-F88 HydrophobicContact CE3-CE2 4.2Å; W55-F88 HydrophobicContact CE3-CZ 4.32Å; W55-F88 HydrophobicContact CH2-CZ 4.29Å; W55-F88 AromaticContact CZ3-CE2 3.9Å; W55-F88 HydrophobicContact CZ3-CE2 3.9Å; W55-F88 AromaticContact CZ3-CZ 3.59Å; W55-F88 HydrophobicContact CZ3-CZ 3.59Å; W55-M92 HydrophobicContact CD2-CE 3.74Å; W55-M92 HydrophobicContact CD2-SD 4.04Å; W55-M92 VanDerWaalsContact CE2-CE 3.46Å; W55-M92 HydrophobicContact CE3-CE 4.03Å; W55-M92 HydrophobicContact CE3-SD 4.04Å; W55-M92 HydrophobicContact CG-CE 4.38Å; W55-M92 HydrophobicContact CG-SD 4.47Å; W55-M92 HydrophobicContact CH2-CE 3.81Å; W55-M92 HydrophobicContact CZ2-CE 3.5Å; W55-M92 HydrophobicContact CZ3-CE 4.08Å; W55-M92 HydrophobicContact CZ3-SD 4.39Å
56L87.9Confident83.9Confident27 Ų2759.2 Ų59.214%0.14130%0.297CS..Hα-helixtrans-62.5-46.9-179.7-175.760.4000111.9L27 S30 P52 W53 R54 S58 I59 L60L27-L56 HydrophobicContact CD2-CD1 3.58Å; L27-L56 HydrophobicContact CD2-CD2 4Å; L27-L56 HydrophobicContact CD2-CG 4.46Å; L27-L56 HydrophobicContact CG-CD1 4.32Å; S30-L56 VanDerWaalsContact OG-CA 3.28Å; S30-L56 WeakPolarHBondContact OG-CA 3.35Å; S30-L56 PolarHBondContact OG-N 3.3Å; P52-L56 PolarHBondContact O-N 3.43Å; W53-L56 HydrophobicContact CE3-CD2 4.16Å; W53-L56 HydrophobicContact CZ3-CD2 4.17Å; W53-L56 WeakPolarHBondContact O-CB 3.28Å; W53-L56 PolarHBondContact O-N 3.45Å; R54-L56 VanDerWaalsContact C-N 3.31Å; R54-L56 PolarHBondContact O-N 2.97Å; L56-S58 PolarHBondContact O-N 3.18Å; L56-I59 PolarHBondContact O-N 2.56Å; L56-L60 HydrophobicContact CD1-CD1 3.43Å; L56-L60 VanDerWaalsContact CD1-CD1 3.43Å; L56-L60 HydrophobicContact CD1-CG 3.8Å; L56-L60 HydrophobicContact CD2-CD1 4.26Å; L56-L60 HydrophobicContact CG-CD1 3.66Å; L56-L60 HydrophobicContact CG-CG 4.3Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 3.08Å
57F91.1Very high85.6Confident113 Ų11354.2 Ų54.250%0.49627%0.274SS..Hα-helixtrans-62.2-41.5178.1-83-68.5000112.1W53 R54 W55 I59 V61 P62W53-F57 HydrophobicContact CB-CD2 4.34Å; W53-F57 HydrophobicContact CB-CE2 4.4Å; W53-F57 WeakPolarHBondContact O-CB 3.37Å; W53-F57 WeakPolarHBondContact O-CD2 3.36Å; W53-F57 PolarHBondContact O-N 3.24Å; R54-F57 PolarHBondContact O-N 2.94Å; W55-F57 PolarHBondContact O-N 3.28Å; F57-I59 PolarHBondContact O-N 3.22Å; F57-V61 HydrophobicContact CD1-CG2 3.71Å; F57-V61 HydrophobicContact CE1-CG2 4.49Å; F57-V61 WeakPolarHBondContact O-CB 3.19Å; F57-V61 PolarHBondContact O-N 3.41Å; F57-P62 WeakPolarHBondContact O-CD 3.26Å
58S91.5Very high87.2Confident0 Ų055.9 Ų55.90%027%0.274CS..Hα-helixtrans-64.6-24.2-179.174.10000113.9R54 W55 L56 P62 F88 M92R54-S58 VanDerWaalsContact O-CB 3.29Å; R54-S58 WeakPolarHBondContact O-CB 3.44Å; R54-S58 PolarHBondContact O-N 3.49Å; R54-S58 PolarHBondContact O-OG 3.4Å; W55-S58 PolarHBondContact O-N 2.83Å; W55-S58 PolarHBondContact O-OG 3.06Å; L56-S58 PolarHBondContact O-N 3.18Å; S58-P62 VanDerWaalsContact O-CD 3.24Å; S58-P62 WeakPolarHBondContact O-CD 3.43Å; S58-P62 WeakPolarHBondContact O-CG 3.45Å; S58-F88 WeakPolarHBondContact O-CD2 3.44Å; S58-F88 WeakPolarHBondContact OG-CD2 3.39Å; S58-F88 VanDerWaalsContact OG-CE2 3.27Å; S58-F88 WeakPolarHBondContact OG-CE2 3.45Å; S58-M92 PolarHBondContact OG-SD 3.01Å; S58-M92 VanDerWaalsContact OG-SD 3.41Å
59I89.6Confident88.6Confident30 Ų3047.7 Ų47.715%0.15424%0.236CC..Hα-helixtrans-96-52.6176.6-54.4168.9000109.9T26 L29 F33 W55 L56 F57 L63 F88T26-I59 HydrophobicContact CG2-CB 3.76Å; T26-I59 HydrophobicContact CG2-CG2 3.4Å; L29-I59 HydrophobicContact CB-CD1 4.36Å; F33-I59 HydrophobicContact CD2-CD1 4.4Å; W55-I59 PolarHBondContact O-N 2.88Å; L56-I59 PolarHBondContact O-N 2.56Å; F57-I59 PolarHBondContact O-N 3.22Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 PolarHBondContact O-N 2.91Å; I59-F88 HydrophobicContact CG1-CD2 4.13Å; I59-F88 HydrophobicContact CG1-CE2 4.07Å
60L91.5Very high89.7Confident50 Ų5048.2 Ų48.226%0.26224%0.235SC..Hα-helixtrans-65-45.3-173.4-75.6-179000113L23 T26 L56 L63 M64L23-L60 HydrophobicContact CD1-CD1 4.24Å; L23-L60 HydrophobicContact CD1-CD2 4.01Å; T26-L60 HydrophobicContact CG2-CD2 3.33Å; T26-L60 HydrophobicContact CG2-CG 3.6Å; L56-L60 HydrophobicContact CD1-CD1 3.43Å; L56-L60 VanDerWaalsContact CD1-CD1 3.43Å; L56-L60 HydrophobicContact CD1-CG 3.8Å; L56-L60 HydrophobicContact CD2-CD1 4.26Å; L56-L60 HydrophobicContact CG-CD1 3.66Å; L56-L60 HydrophobicContact CG-CG 4.3Å; L56-L60 WeakPolarHBondContact O-CB 3.33Å; L56-L60 PolarHBondContact O-N 3.08Å; L60-L63 PolarHBondContact O-N 3.11Å; L60-M64 VanDerWaalsContact O-CB 3.27Å; L60-M64 WeakPolarHBondContact O-CB 2.93Å; L60-M64 PolarHBondContact O-N 2.99Å
61V93.3Very high90.3Very high31 Ų3155.7 Ų55.719%0.18827%0.267CS..Hα-helixtrans-70.8-51.9-172.5-177.30000110.9F57 L63 M64 L65 F98F57-V61 HydrophobicContact CD1-CG2 3.71Å; F57-V61 HydrophobicContact CE1-CG2 4.49Å; F57-V61 WeakPolarHBondContact O-CB 3.19Å; F57-V61 PolarHBondContact O-N 3.41Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 3.49Å; V61-M64 HydrophobicContact CG1-CE 4.45Å; V61-M64 PolarHBondContact O-N 3.32Å; V61-L65 HydrophobicContact CG1-CD1 3.75Å; V61-L65 HydrophobicContact CG1-CG 4.13Å; V61-L65 WeakPolarHBondContact O-CB 3.12Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.95Å; V61-F98 HydrophobicContact CB-CE1 4.32Å; V61-F98 HydrophobicContact CB-CZ 4.32Å; V61-F98 HydrophobicContact CG1-CE1 3.75Å; V61-F98 HydrophobicContact CG1-CZ 3.77Å
62P93.6Very high90.6Very high4 Ų459.7 Ų59.73%0.02627%0.273CS..Hα-helixtrans-55.3-42.6173.8-29.440000112.5F57 S58 M64 L65 T66 L84 F98F57-P62 WeakPolarHBondContact O-CD 3.26Å; S58-P62 VanDerWaalsContact O-CD 3.24Å; S58-P62 WeakPolarHBondContact O-CD 3.43Å; S58-P62 WeakPolarHBondContact O-CG 3.45Å; P62-M64 PolarHBondContact O-N 3.49Å; P62-L65 PolarHBondContact O-N 3.41Å; P62-T66 WeakPolarHBondContact O-CB 3.31Å; P62-T66 WeakPolarHBondContact O-CG2 3.42Å; P62-T66 PolarHBondContact O-N 2.93Å; P62-T66 PolarHBondContact O-OG1 3.31Å; P62-L84 HydrophobicContact CB-CD2 4.06Å; P62-F98 HydrophobicContact CG-CE2 4.04Å; P62-F98 HydrophobicContact CG-CZ 4.09Å
63L92.3Very high91Very high50 Ų5064.3 Ų64.326%0.26229%0.285SS..Hα-helixtrans-60.8-47.3178.4-177.865.7000113.1V22 I59 L60 V61 L65 T66 S67 L84V22-L63 HydrophobicContact CG1-CD2 3.85Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 PolarHBondContact O-N 2.91Å; L60-L63 PolarHBondContact O-N 3.11Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 3.49Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.49Å; L63-T66 PolarHBondContact O-OG1 3.36Å; L63-S67 WeakPolarHBondContact O-CB 3.36Å; L63-S67 PolarHBondContact O-N 3.22Å; L63-S67 PolarHBondContact O-OG 3.35Å; L63-L84 VanDerWaalsContact CA-CD2 3.43Å; L63-L84 HydrophobicContact CB-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CD1 4.4Å; L63-L84 HydrophobicContact CD1-CD2 4.19Å
64M93.9Very high91.2Very high78 Ų7856 Ų5638%0.38425%0.254SS..Hα-helixtrans-60.9-41.7176.8-178.8-170.562.900111.1L60 V61 P62 R68L60-M64 VanDerWaalsContact O-CB 3.27Å; L60-M64 WeakPolarHBondContact O-CB 2.93Å; L60-M64 PolarHBondContact O-N 2.99Å; V61-M64 HydrophobicContact CG1-CE 4.45Å; V61-M64 PolarHBondContact O-N 3.32Å; P62-M64 PolarHBondContact O-N 3.49Å; M64-R68 VanDerWaalsContact CG-NH1 3.34Å; M64-R68 WeakPolarHBondContact O-CG 3.41Å; M64-R68 PolarHBondContact O-N 3.37Å; M64-R68 PolarHBondContact SD-NH1 2.98Å; M64-R68 PolarHBondContact SD-NH2 2.88Å; M64-R68 VanDerWaalsContact SD-NH2 3.36Å
65L94Very high91.2Very high20 Ų2054.9 Ų54.911%0.10525%0.25CS..Hα-helixtrans-73.3-44.5-176.3-68.8-176.9000113.2V61 P62 L63 S67 R68 A69 F98 L102 F106V61-L65 HydrophobicContact CG1-CD1 3.75Å; V61-L65 HydrophobicContact CG1-CG 4.13Å; V61-L65 WeakPolarHBondContact O-CB 3.12Å; V61-L65 WeakPolarHBondContact O-CG 3.46Å; V61-L65 PolarHBondContact O-N 2.95Å; P62-L65 PolarHBondContact O-N 3.41Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.49Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-R68 PolarHBondContact O-N 3.37Å; L65-A69 WeakPolarHBondContact O-CB 3.43Å; L65-A69 PolarHBondContact O-N 2.89Å; L65-F98 HydrophobicContact CD1-CZ 4.22Å; L65-L102 HydrophobicContact CD1-CD1 4.15Å; L65-L102 HydrophobicContact CD1-CD2 3.23Å; L65-L102 HydrophobicContact CD1-CG 4.32Å; L65-F106 HydrophobicContact CD1-CE2 4.36Å; L65-F106 HydrophobicContact CD1-CZ 4.38Å; L65-F106 HydrophobicContact CD2-CE1 4.38Å; L65-F106 HydrophobicContact CD2-CE2 4.23Å; L65-F106 HydrophobicContact CD2-CZ 3.49Å; L65-F106 VanDerWaalsContact CD2-CZ 3.49Å
66T92.3Very high91.5Very high10 Ų1055.7 Ų55.76%0.06126%0.257CS..Hα-helixtrans-66.7-38.4176.357.50000111.2P62 L63 R68 A69 L70 L75 A83 L84P62-T66 WeakPolarHBondContact O-CB 3.31Å; P62-T66 WeakPolarHBondContact O-CG2 3.42Å; P62-T66 PolarHBondContact O-N 2.93Å; P62-T66 PolarHBondContact O-OG1 3.31Å; L63-T66 PolarHBondContact O-OG1 3.36Å; T66-R68 VanDerWaalsContact C-N 3.34Å; T66-R68 PolarHBondContact O-N 3.42Å; T66-A69 WeakPolarHBondContact O-CB 3.39Å; T66-A69 PolarHBondContact O-N 3.35Å; T66-A69 VanDerWaalsContact O-N 3.17Å; T66-L70 WeakPolarHBondContact O-CG 3.45Å; T66-L70 PolarHBondContact O-N 2.99Å; T66-L75 HydrophobicContact CG2-CD1 4.48Å; T66-A83 HydrophobicContact CG2-CB 3.73Å; T66-L84 HydrophobicContact CG2-CD2 4.2Å; T66-L84 HydrophobicContact CG2-CG 3.96Å; T66-L84 WeakPolarHBondContact OG1-CD2 3.15Å; T66-L84 WeakPolarHBondContact OG1-CG 3.4Å
67S91.8Very high91.7Very high49 Ų4964.6 Ų64.634%0.34329%0.289SS..Hα-helixtrans-59.7-43.4172-64.10000112.1L63 L65 K71L63-S67 WeakPolarHBondContact O-CB 3.36Å; L63-S67 PolarHBondContact O-N 3.22Å; L63-S67 PolarHBondContact O-OG 3.35Å; L65-S67 VanDerWaalsContact C-N 3.35Å; S67-K71 WeakPolarHBondContact O-CG 3.25Å; S67-K71 PolarHBondContact O-N 3.1Å
68R92.6Very high91.7Very high130 Ų13061 Ų6149%0.49128%0.278SS..Hα-helixtrans-65.2-42.9173.9-77.1-177.9-175.8131.87.4111.3M64 L65 T66 L70 K71 R72M64-R68 VanDerWaalsContact CG-NH1 3.34Å; M64-R68 WeakPolarHBondContact O-CG 3.41Å; M64-R68 PolarHBondContact O-N 3.37Å; M64-R68 PolarHBondContact SD-NH1 2.98Å; M64-R68 PolarHBondContact SD-NH2 2.88Å; M64-R68 VanDerWaalsContact SD-NH2 3.36Å; L65-R68 PolarHBondContact O-N 3.37Å; T66-R68 VanDerWaalsContact C-N 3.34Å; T66-R68 PolarHBondContact O-N 3.42Å; R68-L70 VanDerWaalsContact C-N 3.35Å; R68-L70 PolarHBondContact O-N 3.25Å; R68-K71 PolarHBondContact O-N 3.44Å; R68-R72 WeakPolarHBondContact O-CB 3.48Å; R68-R72 PolarHBondContact O-N 2.84Å
69A91.8Very high91.8Very high3 Ų361 Ų613%0.02528%0.278CS..Hα-helixtrans-61.1-39.9179.400000112.9L65 T66 R72 R73 S74 L75 F105L65-A69 WeakPolarHBondContact O-CB 3.43Å; L65-A69 PolarHBondContact O-N 2.89Å; T66-A69 WeakPolarHBondContact O-CB 3.39Å; T66-A69 PolarHBondContact O-N 3.35Å; T66-A69 VanDerWaalsContact O-N 3.17Å; A69-R72 CarbonylContact O-C 3.53Å; A69-R72 PolarHBondContact O-N 2.84Å; A69-R73 PolarHBondContact O-N 3.32Å; A69-S74 PolarHBondContact O-N 3.17Å; A69-L75 HydrophobicContact CB-CB 4.29Å; A69-L75 HydrophobicContact CB-CD1 3.82Å; A69-L75 HydrophobicContact CB-CG 3.98Å; A69-F105 HydrophobicContact CB-CE1 4.12Å; A69-F105 HydrophobicContact CB-CZ 3.59Å
70L91.8Very high91.9Very high65 Ų6559.8 Ų59.834%0.3427%0.272SS..Hα-helixtrans-61.2-51173.2-76.6175000111.7T66 R68 R72 R73 D76 R77 A80T66-L70 WeakPolarHBondContact O-CG 3.45Å; T66-L70 PolarHBondContact O-N 2.99Å; R68-L70 VanDerWaalsContact C-N 3.35Å; R68-L70 PolarHBondContact O-N 3.25Å; L70-R72 PolarHBondContact O-N 2.98Å; L70-R72 VanDerWaalsContact O-N 3.15Å; L70-R73 PolarHBondContact O-N 3.31Å; L70-D76 VanDerWaalsContact CD2-O 3.25Å; L70-D76 WeakPolarHBondContact CD2-O 3.36Å; L70-R77 HydrophobicContact CD2-CG 4.49Å; L70-A80 HydrophobicContact CD1-CB 3.65Å; L70-A80 HydrophobicContact CD2-CB 3.65Å; L70-A80 HydrophobicContact CG-CB 3.59Å
71K90.6Very high91.9Very high173 Ų17363.3 Ų63.375%0.75229%0.29SS*.Hα-helixtrans-57.5-32.1176.6-70.4176.3-177.2178.20111.9S67 R68S67-K71 WeakPolarHBondContact O-CG 3.25Å; S67-K71 PolarHBondContact O-N 3.1Å; R68-K71 PolarHBondContact O-N 3.44Å
72R89.1Confident91.7Very high139 Ų13962.7 Ų62.753%0.52529%0.291SS..THydrogen-bonded Turntrans-86.6-0.6-179.6-93.3-176.2-172.7-160.14.8113.8R68 A69 L70 S74 R113R68-R72 WeakPolarHBondContact O-CB 3.48Å; R68-R72 PolarHBondContact O-N 2.84Å; A69-R72 CarbonylContact O-C 3.53Å; A69-R72 PolarHBondContact O-N 2.84Å; L70-R72 PolarHBondContact O-N 2.98Å; L70-R72 VanDerWaalsContact O-N 3.15Å; R72-S74 PolarHBondContact O-N 3.37Å; R72-S74 VanDerWaalsContact O-N 3.13Å; R72-R113 PolarHBondContact O-NH2 3.08Å
73R89.8Confident91.8Very high139 Ų13963.5 Ų63.553%0.52530%0.298SS..THydrogen-bonded Turntrans54.424.5-175-57.5-175.8178-175.3-2.8114.1A69 L70 E128 G129 Q131A69-R73 PolarHBondContact O-N 3.32Å; L70-R73 PolarHBondContact O-N 3.31Å; R73-E128 IonicContact CZ-OE2 3.95Å; R73-E128 IonicContact NH1-OE2 2.78Å; R73-E128 PolarHBondContact NH1-OE2 3.47Å; R73-G129 CarbonylContact O-C 3.56Å; R73-Q131 HydrophobicContact CB-CG 4.13Å; R73-Q131 WeakPolarHBondContact O-CG 3.44Å; R73-Q131 PolarHBondContact O-N 3.39Å
74S88.7Confident91.9Very high4 Ų463.4 Ų63.43%0.02830%0.297CS..SBendtrans-82.5-26.4174.8-68.50000112.6A69 R72 R113 G129 R132A69-S74 PolarHBondContact O-N 3.17Å; R72-S74 PolarHBondContact O-N 3.37Å; R72-S74 VanDerWaalsContact O-N 3.13Å; S74-R113 PolarHBondContact OG-NH2 2.86Å; S74-G129 WeakPolarHBondContact CA-O 3.39Å; S74-R132 PolarHBondContact O-N 2.9Å; S74-R132 VanDerWaalsContact O-N 3.15Å
75L91.3Very high91.8Very high7 Ų764.9 Ų64.94%0.03731%0.306CS..BIsolated β-bridgetrans-126.8150.9171.7-66176.9000108.8T66 A69 A83 F105 R132 V137T66-L75 HydrophobicContact CG2-CD1 4.48Å; A69-L75 HydrophobicContact CB-CB 4.29Å; A69-L75 HydrophobicContact CB-CD1 3.82Å; A69-L75 HydrophobicContact CB-CG 3.98Å; L75-A83 HydrophobicContact CD1-CB 3.75Å; L75-F105 HydrophobicContact CD1-CE2 4.09Å; L75-F105 HydrophobicContact CD1-CZ 4.24Å; L75-F105 HydrophobicContact CD2-CE2 4.05Å; L75-F105 HydrophobicContact CG-CE2 3.96Å; L75-F105 HydrophobicContact CG-CZ 4.21Å; L75-R132 HydrophobicContact CD2-CB 3.78Å; L75-R132 HydrophobicContact CD2-CG 4.48Å; L75-V137 HydrophobicContact CD2-CG2 4.17Å
76D92.7Very high91.9Very high48 Ų4864.5 Ų64.526%0.25730%0.304SS..  trans-86177.5161.877.425.9000111.1L70 S78 G79 A80 R132 N133L70-D76 VanDerWaalsContact CD2-O 3.25Å; L70-D76 WeakPolarHBondContact CD2-O 3.36Å; D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.97Å; D76-S78 WeakPolarHBondContact OD1-CA 3.39Å; D76-S78 WeakPolarHBondContact OD1-CB 3.26Å; D76-S78 PolarHBondContact OD1-N 2.84Å; D76-S78 PolarHBondContact OD1-OG 2.84Å; D76-S78 PolarHBondContact OD2-OG 3.35Å; D76-G79 PolarHBondContact O-N 2.81Å; D76-G79 PolarHBondContact OD1-N 3.32Å; D76-A80 WeakPolarHBondContact O-CB 3.23Å; D76-A80 PolarHBondContact O-N 3.47Å; D76-R132 PolarHBondContact N-O 3.5Å; D76-N133 WeakPolarHBondContact OD2-CA 3.39Å; D76-N133 WeakPolarHBondContact OD2-CB 3.11Å
77R92.3Very high92.2Very high214 Ų21464.1 Ų64.181%0.80830%0.302SS*.Hα-helixtrans-59-38.8-178.7-66.2-175.7-176.4172.51.2112.8L70 L81L70-R77 HydrophobicContact CD2-CG 4.49Å; R77-L81 PolarHBondContact O-N 3.32Å
78S92.2Very high92.3Very high38 Ų3864.4 Ų64.427%0.26630%0.298SS..Hα-helixtrans-71.9-42.1179.1750000111.4D76 A80 L81 G82 W134D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 PolarHBondContact O-N 2.97Å; D76-S78 WeakPolarHBondContact OD1-CA 3.39Å; D76-S78 WeakPolarHBondContact OD1-CB 3.26Å; D76-S78 PolarHBondContact OD1-N 2.84Å; D76-S78 PolarHBondContact OD1-OG 2.84Å; D76-S78 PolarHBondContact OD2-OG 3.35Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 2.91Å; S78-L81 PolarHBondContact O-N 2.99Å; S78-G82 PolarHBondContact O-N 2.91Å; S78-W134 PolarHBondContact OG-N 3.21Å; S78-W134 VanDerWaalsContact OG-N 3.1Å
79G91.6Very high92.4Very high0 Ų058.8 Ų58.80%028%0.278CS..Hα-helixtrans-63.8-36.2175.500000111.9D76 G82 A83D76-G79 PolarHBondContact O-N 2.81Å; D76-G79 PolarHBondContact OD1-N 3.32Å; G79-G82 PolarHBondContact O-N 3.4Å; G79-A83 WeakPolarHBondContact O-CB 3.29Å; G79-A83 PolarHBondContact O-N 2.78Å
80A92.4Very high92.7Very high4 Ų458.7 Ų58.73%0.03328%0.277CS..Hα-helixtrans-63.8-40.4174.500000112.7L70 D76 S78 A83 L84L70-A80 HydrophobicContact CD1-CB 3.65Å; L70-A80 HydrophobicContact CD2-CB 3.65Å; L70-A80 HydrophobicContact CG-CB 3.59Å; D76-A80 WeakPolarHBondContact O-CB 3.23Å; D76-A80 PolarHBondContact O-N 3.47Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 2.91Å; A80-A83 PolarHBondContact O-N 3.2Å; A80-L84 WeakPolarHBondContact O-CB 3.14Å; A80-L84 WeakPolarHBondContact O-CG 3.43Å; A80-L84 PolarHBondContact O-N 3.48Å
81L91.3Very high92.9Very high123 Ų12355.6 Ų55.664%0.64426%0.261SS*.Hα-helixtrans-65.7-44.1174.6-68.9173.7000111.7R77 S78 A83 L84 L85R77-L81 PolarHBondContact O-N 3.32Å; S78-L81 PolarHBondContact O-N 2.99Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 2.86Å; L81-L84 HydrophobicContact CD2-CD1 4.42Å; L81-L84 WeakPolarHBondContact O-CB 3.24Å; L81-L84 PolarHBondContact O-N 3Å; L81-L85 PolarHBondContact O-N 3.33Å
82G90.6Very high93.1Very high19 Ų1947.9 Ų47.920%0.19623%0.228CC..Hα-helixtrans-61.2-43174.400000112.3S78 G79 L84 L85 V86S78-G82 PolarHBondContact O-N 2.91Å; G79-G82 PolarHBondContact O-N 3.4Å; G82-L84 VanDerWaalsContact C-N 3.32Å; G82-L84 PolarHBondContact O-N 2.95Å; G82-L85 PolarHBondContact O-N 3.45Å; G82-V86 VanDerWaalsContact O-CG2 3.28Å; G82-V86 WeakPolarHBondContact O-CG2 3.21Å; G82-V86 PolarHBondContact O-N 3Å
83A94.3Very high93.3Very high21 Ų2141.3 Ų41.317%0.17420%0.203CC..Hα-helixtrans-70.8-29.3-178.400000112.4T66 L75 G79 A80 L81 G87 V137T66-A83 HydrophobicContact CG2-CB 3.73Å; L75-A83 HydrophobicContact CD1-CB 3.75Å; G79-A83 WeakPolarHBondContact O-CB 3.29Å; G79-A83 PolarHBondContact O-N 2.78Å; A80-A83 PolarHBondContact O-N 3.2Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 2.86Å; A83-G87 PolarHBondContact O-N 2.96Å; A83-V137 HydrophobicContact CB-CG1 4.33Å
84L94.3Very high93.5Very high47 Ų4734.7 Ų34.725%0.24618%0.178CC..Hα-helixtrans-60.6-50.1170.1-86.5173.6000110.9P62 L63 T66 A80 L81 G82 F88P62-L84 HydrophobicContact CB-CD2 4.06Å; L63-L84 VanDerWaalsContact CA-CD2 3.43Å; L63-L84 HydrophobicContact CB-CD2 4.04Å; L63-L84 HydrophobicContact CD1-CD1 4.4Å; L63-L84 HydrophobicContact CD1-CD2 4.19Å; T66-L84 HydrophobicContact CG2-CD2 4.2Å; T66-L84 HydrophobicContact CG2-CG 3.96Å; T66-L84 WeakPolarHBondContact OG1-CD2 3.15Å; T66-L84 WeakPolarHBondContact OG1-CG 3.4Å; A80-L84 WeakPolarHBondContact O-CB 3.14Å; A80-L84 WeakPolarHBondContact O-CG 3.43Å; A80-L84 PolarHBondContact O-N 3.48Å; L81-L84 HydrophobicContact CD2-CD1 4.42Å; L81-L84 WeakPolarHBondContact O-CB 3.24Å; L81-L84 PolarHBondContact O-N 3Å; G82-L84 VanDerWaalsContact C-N 3.32Å; G82-L84 PolarHBondContact O-N 2.95Å; L84-F88 VanDerWaalsContact O-CB 3.25Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 2.9Å
85L92.9Very high93.9Very high109 Ų10937.3 Ų37.357%0.57119%0.191SC*.Hα-helixtrans-63.5-50.8-179.8-18063.4000111.5L81 G82 G87 F88 V89L81-L85 PolarHBondContact O-N 3.33Å; G82-L85 PolarHBondContact O-N 3.45Å; L85-G87 PolarHBondContact O-N 3.17Å; L85-F88 PolarHBondContact O-N 3.49Å; L85-V89 HydrophobicContact CD1-CG2 4.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 2.77Å
86V96.6Very high94.2Very high12 Ų1237 Ų377%0.07319%0.189CC..Hα-helixtrans-59-48178.6171.40000110.3G82 F88 V89 L90 L101 V137 T145G82-V86 VanDerWaalsContact O-CG2 3.28Å; G82-V86 WeakPolarHBondContact O-CG2 3.21Å; G82-V86 PolarHBondContact O-N 3Å; V86-F88 VanDerWaalsContact C-N 3.34Å; V86-F88 PolarHBondContact O-N 2.85Å; V86-V89 PolarHBondContact O-N 3.14Å; V86-L90 HydrophobicContact CG1-CD1 4.16Å; V86-L90 WeakPolarHBondContact O-CB 3.18Å; V86-L90 WeakPolarHBondContact O-CD1 3.31Å; V86-L90 PolarHBondContact O-N 3.29Å; V86-L101 HydrophobicContact CG1-CD1 4.31Å; V86-L101 HydrophobicContact CG1-CD2 3.91Å; V86-V137 HydrophobicContact CG2-CG1 4.05Å; V86-T145 WeakPolarHBondContact CG2-OG1 3.37Å
87G96.9Very high94.4Very high2 Ų234.8 Ų34.82%0.02118%0.177CC..Hα-helixtrans-61.2-41.9178.600000112.7A83 L85 T91A83-G87 PolarHBondContact O-N 2.96Å; L85-G87 PolarHBondContact O-N 3.17Å; G87-T91 WeakPolarHBondContact O-CB 3.43Å; G87-T91 PolarHBondContact O-N 2.76Å; G87-T91 PolarHBondContact O-OG1 3.15Å
88F95.1Very high94.7Very high56 Ų5625.3 Ų25.325%0.24614%0.142CC..Hα-helixtrans-60.7-53.7176.1170.6-94.7000111.4W55 S58 I59 L84 L85 V86 L90 T91 M92W55-F88 HydrophobicContact CE3-CE2 4.2Å; W55-F88 HydrophobicContact CE3-CZ 4.32Å; W55-F88 HydrophobicContact CH2-CZ 4.29Å; W55-F88 AromaticContact CZ3-CE2 3.9Å; W55-F88 HydrophobicContact CZ3-CE2 3.9Å; W55-F88 AromaticContact CZ3-CZ 3.59Å; W55-F88 HydrophobicContact CZ3-CZ 3.59Å; S58-F88 WeakPolarHBondContact O-CD2 3.44Å; S58-F88 WeakPolarHBondContact OG-CD2 3.39Å; S58-F88 VanDerWaalsContact OG-CE2 3.27Å; S58-F88 WeakPolarHBondContact OG-CE2 3.45Å; I59-F88 HydrophobicContact CG1-CD2 4.13Å; I59-F88 HydrophobicContact CG1-CE2 4.07Å; L84-F88 VanDerWaalsContact O-CB 3.25Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 2.9Å; L85-F88 PolarHBondContact O-N 3.49Å; V86-F88 VanDerWaalsContact C-N 3.34Å; V86-F88 PolarHBondContact O-N 2.85Å; F88-L90 PolarHBondContact O-N 2.98Å; F88-T91 PolarHBondContact O-N 3.25Å; F88-M92 HydrophobicContact CD2-CG 4.34Å; F88-M92 HydrophobicContact CE1-CG 4.14Å; F88-M92 HydrophobicContact CE2-CG 3.91Å; F88-M92 HydrophobicContact CE2-SD 4.46Å; F88-M92 HydrophobicContact CZ-CG 3.79Å; F88-M92 WeakPolarHBondContact O-CB 3.05Å; F88-M92 WeakPolarHBondContact O-CG 3.34Å; F88-M92 PolarHBondContact O-N 3.36Å
89V95.1Very high95Very high12 Ų1224.5 Ų24.57%0.07314%0.137CC..Hα-helixtrans-60.3-47.4-178.1173.50000111.2L85 V86 T91 M92 A93 T145 A148 L149 M152L85-V89 HydrophobicContact CD1-CG2 4.28Å; L85-V89 WeakPolarHBondContact O-CG2 3.46Å; L85-V89 PolarHBondContact O-N 2.77Å; V86-V89 PolarHBondContact O-N 3.14Å; V89-T91 VanDerWaalsContact C-N 3.35Å; V89-T91 PolarHBondContact O-N 3.12Å; V89-M92 PolarHBondContact O-N 3.33Å; V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 3.36Å; V89-T145 HydrophobicContact CB-CG2 4.01Å; V89-T145 HydrophobicContact CG1-CG2 3.84Å; V89-T145 HydrophobicContact CG2-CG2 4.14Å; V89-A148 HydrophobicContact CG1-CB 4.02Å; V89-L149 HydrophobicContact CG1-CD2 3.91Å; V89-L149 HydrophobicContact CG1-CG 3.87Å; V89-M152 HydrophobicContact CG1-CE 3.94Å
90L97.4Very high95.3Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-65.3-37.8-179.9-89.565.7000111.9V86 F88 A93 N94 F97 L101 P144 A148 L181V86-L90 HydrophobicContact CG1-CD1 4.16Å; V86-L90 WeakPolarHBondContact O-CB 3.18Å; V86-L90 WeakPolarHBondContact O-CD1 3.31Å; V86-L90 PolarHBondContact O-N 3.29Å; F88-L90 PolarHBondContact O-N 2.98Å; L90-A93 PolarHBondContact O-N 2.99Å; L90-N94 CarbonylContact O-C 3.39Å; L90-N94 PolarHBondContact O-N 2.88Å; L90-N94 VanDerWaalsContact O-N 3.11Å; L90-F97 HydrophobicContact CB-CB 4.2Å; L90-F97 HydrophobicContact CD2-CB 4.28Å; L90-F97 HydrophobicContact CG-CB 4.05Å; L90-L101 HydrophobicContact CD2-CB 3.98Å; L90-L101 HydrophobicContact CD2-CD2 4.11Å; L90-L101 HydrophobicContact CD2-CG 4.45Å; L90-P144 HydrophobicContact CD2-CB 4.27Å; L90-A148 HydrophobicContact CD1-CB 3.93Å; L90-A148 HydrophobicContact CG-CB 4.29Å; L90-L181 HydrophobicContact CD2-CD1 4.35Å
91T96.1Very high95.6Very high1 Ų125.5 Ų25.51%0.00614%0.141CC..Hα-helixtrans-66.7-38.5176.4-530000111.7G87 F88 V89 L95 F98G87-T91 WeakPolarHBondContact O-CB 3.43Å; G87-T91 PolarHBondContact O-N 2.76Å; G87-T91 PolarHBondContact O-OG1 3.15Å; F88-T91 PolarHBondContact O-N 3.25Å; V89-T91 VanDerWaalsContact C-N 3.35Å; V89-T91 PolarHBondContact O-N 3.12Å; T91-L95 HydrophobicContact CG2-CD2 3.94Å; T91-F98 HydrophobicContact CG2-CD1 4.41Å; T91-F98 WeakPolarHBondContact OG1-CD1 3.42Å; T91-F98 WeakPolarHBondContact OG1-CD2 3.3Å; T91-F98 WeakPolarHBondContact OG1-CE2 3.26Å; T91-F98 WeakPolarHBondContact OG1-CG 3.26Å
92M93.4Very high95.9Very high11 Ų1121.5 Ų21.55%0.05412%0.12CC..Hα-helixtrans-66.7-40.6177-75.3-59.2-6500111.9V50 R54 W55 S58 F88 V89 M152 P157V50-M92 HydrophobicContact CB-CE 4.21Å; V50-M92 HydrophobicContact CG1-CE 3.76Å; V50-M92 HydrophobicContact CG1-SD 4.44Å; V50-M92 HydrophobicContact CG2-CE 4.08Å; R54-M92 WeakPolarHBondContact CD-O 2.97Å; R54-M92 HydrophobicContact CG-SD 4.14Å; W55-M92 HydrophobicContact CD2-CE 3.74Å; W55-M92 HydrophobicContact CD2-SD 4.04Å; W55-M92 VanDerWaalsContact CE2-CE 3.46Å; W55-M92 HydrophobicContact CE3-CE 4.03Å; W55-M92 HydrophobicContact CE3-SD 4.04Å; W55-M92 HydrophobicContact CG-CE 4.38Å; W55-M92 HydrophobicContact CG-SD 4.47Å; W55-M92 HydrophobicContact CH2-CE 3.81Å; W55-M92 HydrophobicContact CZ2-CE 3.5Å; W55-M92 HydrophobicContact CZ3-CE 4.08Å; W55-M92 HydrophobicContact CZ3-SD 4.39Å; S58-M92 PolarHBondContact OG-SD 3.01Å; S58-M92 VanDerWaalsContact OG-SD 3.41Å; F88-M92 HydrophobicContact CD2-CG 4.34Å; F88-M92 HydrophobicContact CE1-CG 4.14Å; F88-M92 HydrophobicContact CE2-CG 3.91Å; F88-M92 HydrophobicContact CE2-SD 4.46Å; F88-M92 HydrophobicContact CZ-CG 3.79Å; F88-M92 WeakPolarHBondContact O-CB 3.05Å; F88-M92 WeakPolarHBondContact O-CG 3.34Å; F88-M92 PolarHBondContact O-N 3.36Å; V89-M92 PolarHBondContact O-N 3.33Å; M92-M152 HydrophobicContact CB-SD 4.03Å; M92-P157 WeakPolarHBondContact O-CB 3.1Å
93A94Very high96.3Very high0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-68.6-58-178.600000112.9V89 L90 F97 A148 Y151 M152 P157 G158V89-A93 WeakPolarHBondContact O-CB 3.44Å; V89-A93 PolarHBondContact O-N 3.36Å; L90-A93 PolarHBondContact O-N 2.99Å; A93-F97 HydrophobicContact CB-CD2 3.94Å; A93-F97 HydrophobicContact CB-CE2 4.17Å; A93-A148 HydrophobicContact CB-CB 3.8Å; A93-Y151 HydrophobicContact CB-CD1 4.38Å; A93-M152 HydrophobicContact CB-CE 4.24Å; A93-M152 HydrophobicContact CB-CG 3.61Å; A93-M152 HydrophobicContact CB-SD 3.86Å; A93-P157 WeakPolarHBondContact O-CA 3.47Å; A93-G158 PolarHBondContact O-N 3.03Å
94N95.2Very high96.4Very high0 Ų021 Ų210%011%0.112CC..  trans-163.6127.4-175.6-178.8-38.6000109.5L90 S96 F97 F98 Y151 G158L90-N94 CarbonylContact O-C 3.39Å; L90-N94 PolarHBondContact O-N 2.88Å; L90-N94 VanDerWaalsContact O-N 3.11Å; N94-S96 PolarHBondContact O-N 3.44Å; N94-S96 VanDerWaalsContact O-N 3.1Å; N94-S96 WeakPolarHBondContact OD1-CA 3.44Å; N94-S96 WeakPolarHBondContact OD1-CB 3.28Å; N94-S96 PolarHBondContact OD1-N 3.02Å; N94-S96 PolarHBondContact OD1-OG 3.36Å; N94-F97 HydrophobicContact CB-CD1 4.02Å; N94-F97 HydrophobicContact CB-CD2 3.53Å; N94-F97 HydrophobicContact CB-CE1 4.06Å; N94-F97 HydrophobicContact CB-CE2 3.58Å; N94-F97 HydrophobicContact CB-CG 3.76Å; N94-F97 HydrophobicContact CB-CZ 3.85Å; N94-F97 VanDerWaalsContact O-CB 3.32Å; N94-F97 WeakPolarHBondContact O-CB 3.34Å; N94-F97 PolarHBondContact O-N 3.44Å; N94-F98 PolarHBondContact O-N 2.88Å; N94-Y151 HydrophobicContact CB-CE1 4.3Å; N94-G158 PolarHBondContact ND2-O 3.33Å
95L95.8Very high96.5Very high60 Ų6020.8 Ų20.831%0.31411%0.109SC..Hα-helixtrans-60.3-26-178.1-69.2174.1000113.2T91 F97 F98 S99 E159 T241T91-L95 HydrophobicContact CG2-CD2 3.94Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F98 PolarHBondContact O-N 3.09Å; L95-S99 WeakPolarHBondContact O-CB 3.18Å; L95-S99 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-OG 2.72Å; L95-E159 HydrophobicContact CB-CG 4.34Å; L95-E159 VanDerWaalsContact CB-OE1 3.24Å; L95-E159 WeakPolarHBondContact CB-OE1 3.21Å; L95-E159 WeakPolarHBondContact CG-OE1 3.22Å; L95-E159 PolarHBondContact N-OE1 3.11Å; L95-T241 HydrophobicContact CB-CG2 3.91Å
96S97.4Very high96.7Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-67.7-32.3175.6-41.20000111.9N94 S99 A100 Y238 Q242N94-S96 PolarHBondContact O-N 3.44Å; N94-S96 VanDerWaalsContact O-N 3.1Å; N94-S96 WeakPolarHBondContact OD1-CA 3.44Å; N94-S96 WeakPolarHBondContact OD1-CB 3.28Å; N94-S96 PolarHBondContact OD1-N 3.02Å; N94-S96 PolarHBondContact OD1-OG 3.36Å; S96-S99 WeakPolarHBondContact CA-OG 3.25Å; S96-S99 PolarHBondContact O-OG 2.74Å; S96-A100 VanDerWaalsContact O-CB 3.32Å; S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 3.45Å; S96-A100 VanDerWaalsContact O-N 3.11Å; S96-Y238 WeakPolarHBondContact O-CD2 3.44Å; S96-Q242 PolarHBondContact OG-NE2 3.1Å
97F98.1Very high96.7Very high1 Ų119.9 Ų19.90%0.00410%0.102CC..Hα-helixtrans-68.6-44.7174.5-58.2-12.6000110.1L90 A93 N94 L95 A100 L101 A148 Y151 C174 L177 Y238L90-F97 HydrophobicContact CB-CB 4.2Å; L90-F97 HydrophobicContact CD2-CB 4.28Å; L90-F97 HydrophobicContact CG-CB 4.05Å; A93-F97 HydrophobicContact CB-CD2 3.94Å; A93-F97 HydrophobicContact CB-CE2 4.17Å; N94-F97 HydrophobicContact CB-CD1 4.02Å; N94-F97 HydrophobicContact CB-CD2 3.53Å; N94-F97 HydrophobicContact CB-CE1 4.06Å; N94-F97 HydrophobicContact CB-CE2 3.58Å; N94-F97 HydrophobicContact CB-CG 3.76Å; N94-F97 HydrophobicContact CB-CZ 3.85Å; N94-F97 VanDerWaalsContact O-CB 3.32Å; N94-F97 WeakPolarHBondContact O-CB 3.34Å; N94-F97 PolarHBondContact O-N 3.44Å; L95-F97 VanDerWaalsContact C-N 3.32Å; F97-A100 PolarHBondContact O-N 3.45Å; F97-L101 PolarHBondContact O-N 2.82Å; F97-A148 HydrophobicContact CD2-CB 4.25Å; F97-Y151 AromaticContact CE2-CD1 3.91Å; F97-Y151 HydrophobicContact CE2-CD1 3.91Å; F97-Y151 HydrophobicContact CE2-CD2 4.38Å; F97-Y151 HydrophobicContact CE2-CE1 4.31Å; F97-Y151 AromaticContact CE2-CG 3.94Å; F97-Y151 HydrophobicContact CE2-CG 3.94Å; F97-Y151 HydrophobicContact CZ-CD1 4.34Å; F97-Y151 HydrophobicContact CZ-CD2 4.11Å; F97-Y151 HydrophobicContact CZ-CE1 4.49Å; F97-Y151 HydrophobicContact CZ-CE2 4.26Å; F97-Y151 HydrophobicContact CZ-CG 4.14Å; F97-C174 HydrophobicContact CE1-CB 4.1Å; F97-C174 HydrophobicContact CZ-CB 4.39Å; F97-L177 HydrophobicContact CB-CD1 4.05Å; F97-L177 HydrophobicContact CB-CD2 3.68Å; F97-L177 HydrophobicContact CD1-CD1 4.03Å; F97-L177 HydrophobicContact CD1-CD2 3.64Å; F97-L177 HydrophobicContact CD1-CG 4.34Å; F97-L177 HydrophobicContact CD2-CD1 3.37Å; F97-L177 HydrophobicContact CD2-CD2 4.35Å; F97-L177 HydrophobicContact CD2-CG 4.47Å; F97-L177 HydrophobicContact CE1-CD1 4.33Å; F97-L177 HydrophobicContact CE1-CD2 4.37Å; F97-L177 HydrophobicContact CE2-CD1 3.73Å; F97-L177 HydrophobicContact CG-CD1 3.55Å; F97-L177 HydrophobicContact CG-CD2 3.63Å; F97-L177 HydrophobicContact CG-CG 4.22Å; F97-L177 HydrophobicContact CZ-CD1 4.2Å; F97-Y238 AromaticContact CD1-CE2 3.69Å; F97-Y238 HydrophobicContact CD1-CE2 3.69Å; F97-Y238 AromaticContact CE1-CE2 3.83Å; F97-Y238 HydrophobicContact CE1-CE2 3.83Å
98F97.9Very high96.6Very high16 Ų1619.8 Ų19.87%0.0710%0.101CC..Hα-helixtrans-66-42.5178-176.4-119.7000112.3V61 P62 L65 T91 N94 L95 A100 L101 L102V61-F98 HydrophobicContact CB-CE1 4.32Å; V61-F98 HydrophobicContact CB-CZ 4.32Å; V61-F98 HydrophobicContact CG1-CE1 3.75Å; V61-F98 HydrophobicContact CG1-CZ 3.77Å; P62-F98 HydrophobicContact CG-CE2 4.04Å; P62-F98 HydrophobicContact CG-CZ 4.09Å; L65-F98 HydrophobicContact CD1-CZ 4.22Å; T91-F98 HydrophobicContact CG2-CD1 4.41Å; T91-F98 WeakPolarHBondContact OG1-CD1 3.42Å; T91-F98 WeakPolarHBondContact OG1-CD2 3.3Å; T91-F98 WeakPolarHBondContact OG1-CE2 3.26Å; T91-F98 WeakPolarHBondContact OG1-CG 3.26Å; N94-F98 PolarHBondContact O-N 2.88Å; L95-F98 PolarHBondContact O-N 3.09Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.38Å; F98-L101 HydrophobicContact CD2-CD2 4.32Å; F98-L101 WeakPolarHBondContact O-CB 3.3Å; F98-L101 PolarHBondContact O-N 3.38Å; F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CD2-CG 4.42Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CD2 4.29Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CD2 3.91Å; F98-L102 HydrophobicContact CE2-CG 4.11Å; F98-L102 HydrophobicContact CG-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.84Å; F98-L102 HydrophobicContact CZ-CD2 3.73Å; F98-L102 HydrophobicContact CZ-CG 3.87Å; F98-L102 WeakPolarHBondContact O-CG 3.33Å; F98-L102 PolarHBondContact O-N 3.35Å
99S98.1Very high96.5Very high21 Ų2117.6 Ų17.615%0.1479%0.093CC..Hα-helixtrans-65-37.9178.268.40000112.6L95 S96 L102 A103 A237 T241L95-S99 WeakPolarHBondContact O-CB 3.18Å; L95-S99 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-OG 2.72Å; S96-S99 WeakPolarHBondContact CA-OG 3.25Å; S96-S99 PolarHBondContact O-OG 2.74Å; S99-L102 PolarHBondContact O-N 3.34Å; S99-A103 WeakPolarHBondContact O-CB 3.37Å; S99-A103 PolarHBondContact O-N 2.9Å; S99-A237 PolarHBondContact OG-O 2.97Å; S99-T241 WeakPolarHBondContact CB-OG1 3.21Å; S99-T241 PolarHBondContact OG-OG1 3.25Å
100A98.6Very high96.5Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-58.8-48.9170.200000111.7S96 F97 F98 L102 A103 F104 L178 L181 V234 Y238S96-A100 VanDerWaalsContact O-CB 3.32Å; S96-A100 WeakPolarHBondContact O-CB 3.48Å; S96-A100 PolarHBondContact O-N 3.45Å; S96-A100 VanDerWaalsContact O-N 3.11Å; F97-A100 PolarHBondContact O-N 3.45Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.38Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 3.02Å; A100-A103 PolarHBondContact O-N 3.5Å; A100-F104 PolarHBondContact O-N 3.39Å; A100-L178 HydrophobicContact CB-CD1 4.37Å; A100-L181 HydrophobicContact CB-CD1 3.8Å; A100-V234 HydrophobicContact CB-CG1 3.53Å; A100-Y238 HydrophobicContact CB-CD2 4.45Å
101L98.3Very high96.3Very high25 Ų2525.8 Ų25.813%0.13113%0.125CC..Hα-helixtrans-58.5-43.6175.517772.7000111.5V86 L90 F97 F98 F104 F105 L181V86-L101 HydrophobicContact CG1-CD1 4.31Å; V86-L101 HydrophobicContact CG1-CD2 3.91Å; L90-L101 HydrophobicContact CD2-CB 3.98Å; L90-L101 HydrophobicContact CD2-CD2 4.11Å; L90-L101 HydrophobicContact CD2-CG 4.45Å; F97-L101 PolarHBondContact O-N 2.82Å; F98-L101 HydrophobicContact CD2-CD2 4.32Å; F98-L101 WeakPolarHBondContact O-CB 3.3Å; F98-L101 PolarHBondContact O-N 3.38Å; L101-F104 PolarHBondContact O-N 2.82Å; L101-F105 WeakPolarHBondContact O-CB 3.49Å; L101-F105 PolarHBondContact O-N 2.91Å; L101-L181 HydrophobicContact CB-CD1 4.26Å; L101-L181 HydrophobicContact CD1-CD2 3.87Å
102L97.6Very high96Very high38 Ų3826.1 Ų26.120%0.19913%0.127CC..Hα-helixtrans-62.9-45.8177.8-71.8-169.5000111.9L65 F98 S99 A100 F104 F105 F106L65-L102 HydrophobicContact CD1-CD1 4.15Å; L65-L102 HydrophobicContact CD1-CD2 3.23Å; L65-L102 HydrophobicContact CD1-CG 4.32Å; F98-L102 HydrophobicContact CD1-CD1 3.99Å; F98-L102 HydrophobicContact CD1-CG 4.25Å; F98-L102 HydrophobicContact CD2-CG 4.42Å; F98-L102 HydrophobicContact CE1-CD1 3.52Å; F98-L102 HydrophobicContact CE1-CD2 4.29Å; F98-L102 HydrophobicContact CE1-CG 3.94Å; F98-L102 HydrophobicContact CE2-CD2 3.91Å; F98-L102 HydrophobicContact CE2-CG 4.11Å; F98-L102 HydrophobicContact CG-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 3.84Å; F98-L102 HydrophobicContact CZ-CD2 3.73Å; F98-L102 HydrophobicContact CZ-CG 3.87Å; F98-L102 WeakPolarHBondContact O-CG 3.33Å; F98-L102 PolarHBondContact O-N 3.35Å; S99-L102 PolarHBondContact O-N 3.34Å; A100-L102 VanDerWaalsContact C-N 3.32Å; A100-L102 PolarHBondContact O-N 3.02Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 PolarHBondContact O-N 2.67Å; L102-F105 PolarHBondContact O-N 3.06Å; L102-F106 HydrophobicContact CB-CD2 4.11Å; L102-F106 HydrophobicContact CB-CE2 4.28Å; L102-F106 HydrophobicContact CD2-CE2 4.11Å; L102-F106 VanDerWaalsContact O-CB 3.29Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.36Å; L102-F106 PolarHBondContact O-N 3.35Å
103A98.3Very high95.9Very high15 Ų1530.1 Ų30.112%0.12414%0.141CC..Hα-helixtrans-58.7-47.6177.300000110.9S99 A100 T107 A237S99-A103 WeakPolarHBondContact O-CB 3.37Å; S99-A103 PolarHBondContact O-N 2.9Å; A100-A103 PolarHBondContact O-N 3.5Å; A103-T107 VanDerWaalsContact O-CB 3.32Å; A103-T107 WeakPolarHBondContact O-CB 3.27Å; A103-T107 VanDerWaalsContact O-CG2 3.26Å; A103-T107 WeakPolarHBondContact O-CG2 3.05Å; A103-T107 PolarHBondContact O-N 3.45Å; A103-T107 PolarHBondContact O-OG1 3.44Å; A103-A237 HydrophobicContact CB-CB 3.44Å; A103-A237 VanDerWaalsContact CB-CB 3.44Å
104F97.8Very high95.9Very high16 Ų1636.5 Ų36.57%0.0717%0.165CC..Hα-helixtrans-55.4-56173.6166-136.6000111.3A100 L101 L102 F106 T107 S108 N140 L181 A185 V234A100-F104 PolarHBondContact O-N 3.39Å; L101-F104 PolarHBondContact O-N 2.82Å; L102-F104 VanDerWaalsContact C-N 3.33Å; L102-F104 PolarHBondContact O-N 2.67Å; F104-F106 PolarHBondContact O-N 3.07Å; F104-T107 PolarHBondContact O-OG1 2.96Å; F104-S108 WeakPolarHBondContact CD2-OG 3.38Å; F104-S108 VanDerWaalsContact CE2-OG 3.32Å; F104-S108 WeakPolarHBondContact CE2-OG 3.25Å; F104-S108 WeakPolarHBondContact O-CB 3.39Å; F104-S108 PolarHBondContact O-N 3.29Å; F104-S108 PolarHBondContact O-OG 3.35Å; F104-N140 HydrophobicContact CE1-CB 4.31Å; F104-L181 HydrophobicContact CD1-CD2 4.49Å; F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 VanDerWaalsContact CD2-CA 3.43Å; F104-A185 HydrophobicContact CD2-CB 3.5Å; F104-A185 HydrophobicContact CE2-CB 4.2Å; F104-A185 HydrophobicContact CG-CB 4.1Å; F104-V234 HydrophobicContact CB-CG2 3.9Å
105F96Very high95.6Very high41 Ų4136.5 Ų36.518%0.1817%0.166CC..Hα-helixtrans-61.3-46.8-175177.9-101.5000112.4A69 L75 L101 L102 S109A69-F105 HydrophobicContact CB-CE1 4.12Å; A69-F105 HydrophobicContact CB-CZ 3.59Å; L75-F105 HydrophobicContact CD1-CE2 4.09Å; L75-F105 HydrophobicContact CD1-CZ 4.24Å; L75-F105 HydrophobicContact CD2-CE2 4.05Å; L75-F105 HydrophobicContact CG-CE2 3.96Å; L75-F105 HydrophobicContact CG-CZ 4.21Å; L101-F105 WeakPolarHBondContact O-CB 3.49Å; L101-F105 PolarHBondContact O-N 2.91Å; L102-F105 PolarHBondContact O-N 3.06Å; F105-S109 WeakPolarHBondContact O-CB 3.32Å; F105-S109 PolarHBondContact O-N 2.83Å; F105-S109 PolarHBondContact O-OG 3.3Å
106F96Very high95.3Very high69 Ų6934.6 Ų34.630%0.30316%0.158SC..Hα-helixtrans-73.2-40.3-174.6-83.2-58.3000113.8L65 L102 F104 R110L65-F106 HydrophobicContact CD1-CE2 4.36Å; L65-F106 HydrophobicContact CD1-CZ 4.38Å; L65-F106 HydrophobicContact CD2-CE1 4.38Å; L65-F106 HydrophobicContact CD2-CE2 4.23Å; L65-F106 HydrophobicContact CD2-CZ 3.49Å; L65-F106 VanDerWaalsContact CD2-CZ 3.49Å; L102-F106 HydrophobicContact CB-CD2 4.11Å; L102-F106 HydrophobicContact CB-CE2 4.28Å; L102-F106 HydrophobicContact CD2-CE2 4.11Å; L102-F106 VanDerWaalsContact O-CB 3.29Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 WeakPolarHBondContact O-CD2 3.36Å; L102-F106 PolarHBondContact O-N 3.35Å; F104-F106 PolarHBondContact O-N 3.07Å; F106-R110 WeakPolarHBondContact O-CG 3.09Å; F106-R110 PolarHBondContact O-N 3.4Å; F106-R110 PolarHBondContact O-NH1 3.39Å
107T96.9Very high95Very high34 Ų3442.2 Ų42.221%0.20919%0.194CC..Hα-helixtrans-73-46.9-179.659.10000110.2A103 F104 S109 R110 L111 W189 T233A103-T107 VanDerWaalsContact O-CB 3.32Å; A103-T107 WeakPolarHBondContact O-CB 3.27Å; A103-T107 VanDerWaalsContact O-CG2 3.26Å; A103-T107 WeakPolarHBondContact O-CG2 3.05Å; A103-T107 PolarHBondContact O-N 3.45Å; A103-T107 PolarHBondContact O-OG1 3.44Å; F104-T107 PolarHBondContact O-OG1 2.96Å; T107-S109 PolarHBondContact O-N 3.41Å; T107-R110 WeakPolarHBondContact O-CB 3.49Å; T107-R110 PolarHBondContact O-N 2.81Å; T107-L111 PolarHBondContact O-N 3.48Å; T107-W189 HydrophobicContact CG2-CZ2 4.02Å; T107-W189 PolarHBondContact OG1-NE1 3.47Å; T107-T233 HydrophobicContact CG2-CG2 3.8Å
108S94.7Very high94.5Very high0 Ų046.9 Ų46.90%021%0.214CC..Hα-helixtrans-60.7-44.2176.7-590000111.9F104 R110 L111 T112F104-S108 WeakPolarHBondContact CD2-OG 3.38Å; F104-S108 VanDerWaalsContact CE2-OG 3.32Å; F104-S108 WeakPolarHBondContact CE2-OG 3.25Å; F104-S108 WeakPolarHBondContact O-CB 3.39Å; F104-S108 PolarHBondContact O-N 3.29Å; F104-S108 PolarHBondContact O-OG 3.35Å; S108-R110 PolarHBondContact O-N 3.01Å; S108-L111 PolarHBondContact O-N 2.74Å; S108-T112 PolarHBondContact O-N 2.78Å; S108-T112 PolarHBondContact O-OG1 2.94Å
109S93.6Very high94.1Very high9 Ų947.5 Ų47.56%0.06322%0.217CC..Hα-helixtrans-66-25.1177.1-590000113.5F105 T107 R113 R132F105-S109 WeakPolarHBondContact O-CB 3.32Å; F105-S109 PolarHBondContact O-N 2.83Å; F105-S109 PolarHBondContact O-OG 3.3Å; T107-S109 PolarHBondContact O-N 3.41Å; S109-R113 WeakPolarHBondContact O-CD 3.22Å; S109-R113 WeakPolarHBondContact O-CG 3.43Å; S109-R132 PolarHBondContact OG-NH1 3.49Å
110R94.6Very high93.6Very high152 Ų15253.4 Ų53.457%0.57424%0.24SC*.Hα-helixtrans-75-43.9171.5-79.2-179.817486.8-9.1111.1F106 T107 S108 R113 W114F106-R110 WeakPolarHBondContact O-CG 3.09Å; F106-R110 PolarHBondContact O-N 3.4Å; F106-R110 PolarHBondContact O-NH1 3.39Å; T107-R110 WeakPolarHBondContact O-CB 3.49Å; T107-R110 PolarHBondContact O-N 2.81Å; S108-R110 PolarHBondContact O-N 3.01Å; R110-R113 PolarHBondContact O-N 2.92Å; R110-W114 WeakPolarHBondContact O-CB 3.47Å; R110-W114 PolarHBondContact O-N 3.08Å
111L93.9Very high93.1Very high32 Ų3261.1 Ų61.117%0.16827%0.274CS..Hα-helixtrans-62.4-45.7177.6-70.3175.7000112.1T107 S108 R113 W114 G115 W189 E192 V193T107-L111 PolarHBondContact O-N 3.48Å; S108-L111 PolarHBondContact O-N 2.74Å; L111-R113 PolarHBondContact O-N 3.16Å; L111-W114 HydrophobicContact CD2-CE3 4.21Å; L111-W114 PolarHBondContact O-N 3.36Å; L111-W114 VanDerWaalsContact O-N 3.09Å; L111-G115 PolarHBondContact O-N 3.21Å; L111-W189 HydrophobicContact CD1-CB 4.25Å; L111-W189 HydrophobicContact CD1-CD2 3.42Å; L111-W189 VanDerWaalsContact CD1-CD2 3.42Å; L111-W189 HydrophobicContact CD1-CE3 4Å; L111-W189 HydrophobicContact CD1-CG 3.51Å; L111-W189 HydrophobicContact CD1-CZ2 4.34Å; L111-E192 HydrophobicContact CB-CB 3.96Å; L111-E192 HydrophobicContact CB-CG 4.45Å; L111-V193 HydrophobicContact CD1-CG2 3.95Å; L111-V193 HydrophobicContact CD2-CG2 3.92Å; L111-V193 HydrophobicContact CG-CG2 4.49Å
112T90.8Very high92.5Very high8 Ų862.2 Ų62.25%0.04928%0.279CS..Hα-helixtrans-54.7-36.4175.4-590000112.7S108 A116 E192S108-T112 PolarHBondContact O-N 2.78Å; S108-T112 PolarHBondContact O-OG1 2.94Å; T112-A116 PolarHBondContact O-N 3.5Å; T112-E192 VanDerWaalsContact CA-CD 3.48Å; T112-E192 WeakPolarHBondContact CA-OE1 3.5Å; T112-E192 VanDerWaalsContact CB-OE1 3.26Å; T112-E192 WeakPolarHBondContact CB-OE1 3.29Å; T112-E192 WeakPolarHBondContact CG2-OE1 3.32Å; T112-E192 PolarHBondContact OG1-OE1 2.72Å
113R90.8Very high91.9Very high96 Ų9663 Ų6336%0.36228%0.283SS..Hα-helixtrans-77.2-41.5177.2-69.1170.8-176.1-147.4-15.3112.6R72 S74 S109 R110 L111 G115 A116R72-R113 PolarHBondContact O-NH2 3.08Å; S74-R113 PolarHBondContact OG-NH2 2.86Å; S109-R113 WeakPolarHBondContact O-CD 3.22Å; S109-R113 WeakPolarHBondContact O-CG 3.43Å; R110-R113 PolarHBondContact O-N 2.92Å; L111-R113 PolarHBondContact O-N 3.16Å; R113-G115 VanDerWaalsContact C-N 3.29Å; R113-G115 PolarHBondContact O-N 3.35Å; R113-A116 WeakPolarHBondContact O-CB 3.47Å; R113-A116 PolarHBondContact O-N 3.48Å
114W93.7Very high91.2Very high133 Ų13364.5 Ų64.550%0.50430%0.296SS..Hα-helixtrans-63.8-38.1179167.678.5000111.4R110 L111 A116 V193 V196 L197R110-W114 WeakPolarHBondContact O-CB 3.47Å; R110-W114 PolarHBondContact O-N 3.08Å; L111-W114 HydrophobicContact CD2-CE3 4.21Å; L111-W114 PolarHBondContact O-N 3.36Å; L111-W114 VanDerWaalsContact O-N 3.09Å; W114-A116 VanDerWaalsContact C-N 3.31Å; W114-A116 PolarHBondContact O-N 2.94Å; W114-V193 HydrophobicContact CZ3-CG2 4.47Å; W114-V196 HydrophobicContact CE3-CG1 4.26Å; W114-V196 HydrophobicContact CH2-CB 3.78Å; W114-V196 HydrophobicContact CH2-CG1 3.25Å; W114-V196 HydrophobicContact CZ2-CG1 3.59Å; W114-V196 HydrophobicContact CZ3-CB 3.75Å; W114-V196 HydrophobicContact CZ3-CG1 3.59Å; W114-V196 HydrophobicContact CZ3-CG2 4.1Å; W114-L197 HydrophobicContact CH2-CD1 3.99Å; W114-L197 HydrophobicContact CH2-CD2 3.73Å; W114-L197 HydrophobicContact CH2-CG 3.69Å; W114-L197 HydrophobicContact CZ2-CD2 3.94Å; W114-L197 HydrophobicContact CZ2-CG 4.39Å
115G88.9Confident90.5Very high1 Ų169.5 Ų69.51%0.0132%0.32CS..THydrogen-bonded Turntrans-80.4-2.5176.700000115.7L111 R113 E117 K118 K119L111-G115 PolarHBondContact O-N 3.21Å; R113-G115 VanDerWaalsContact C-N 3.29Å; R113-G115 PolarHBondContact O-N 3.35Å; G115-E117 PolarHBondContact O-N 2.76Å; G115-K118 PolarHBondContact O-N 3.36Å; G115-K119 WeakPolarHBondContact O-CB 3.16Å; G115-K119 PolarHBondContact O-N 2.91Å
116A89.8Confident90Very high19 Ų1970.7 Ų70.716%0.15732%0.323CS..Hα-helixtrans-54.5-45.3-169.200000114.2T112 R113 W114 K118 K119 K120 Y126T112-A116 PolarHBondContact O-N 3.5Å; R113-A116 WeakPolarHBondContact O-CB 3.47Å; R113-A116 PolarHBondContact O-N 3.48Å; W114-A116 VanDerWaalsContact C-N 3.31Å; W114-A116 PolarHBondContact O-N 2.94Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 2.87Å; A116-K119 PolarHBondContact O-N 2.97Å; A116-K120 WeakPolarHBondContact O-CB 3.14Å; A116-K120 PolarHBondContact O-N 3.22Å; A116-Y126 HydrophobicContact CB-CE2 4.42Å; A116-Y126 VanDerWaalsContact CB-OH 3.31Å; A116-Y126 WeakPolarHBondContact CB-OH 3.47Å
117E90.1Very high89.4Confident161 Ų16172.6 Ų72.675%0.75233%0.331SS*.Hα-helixtrans-64.1-39.1-176.4-67.1-167.2164.200112.8G115G115-E117 PolarHBondContact O-N 2.76Å
118K88.8Confident88.7Confident98 Ų9876.2 Ų76.243%0.42635%0.346SS..Hα-helixtrans-77.1-43.2176.3-76-167.9176.2-169.60111.2G115 A116 K120 K121 I122 V196G115-K118 PolarHBondContact O-N 3.36Å; A116-K118 VanDerWaalsContact C-N 3.35Å; A116-K118 PolarHBondContact O-N 2.87Å; K118-K120 VanDerWaalsContact C-N 3.3Å; K118-K120 PolarHBondContact O-N 3.38Å; K118-K121 WeakPolarHBondContact O-CB 3.4Å; K118-K121 PolarHBondContact O-N 2.67Å; K118-I122 PolarHBondContact O-N 3.4Å; K118-V196 HydrophobicContact CB-CG2 4.26Å; K118-V196 HydrophobicContact CD-CB 4.28Å; K118-V196 HydrophobicContact CD-CG1 4.1Å; K118-V196 HydrophobicContact CD-CG2 4.34Å; K118-V196 PolarHBondContact NZ-O 3.15Å
119K88.3Confident87.8Confident30 Ų3076.8 Ų76.813%0.1335%0.351CS..Hα-helixtrans-55.7-43.1177.8-83.6-77-175.2171.40112.3G115 A116 K121 I122 D123 Y126 S191 E192G115-K119 WeakPolarHBondContact O-CB 3.16Å; G115-K119 PolarHBondContact O-N 2.91Å; A116-K119 PolarHBondContact O-N 2.97Å; K119-K121 PolarHBondContact O-N 3.1Å; K119-K121 VanDerWaalsContact O-N 3.12Å; K119-I122 HydrophobicContact CD-CD1 4.3Å; K119-I122 PolarHBondContact O-N 3.16Å; K119-I122 VanDerWaalsContact O-N 3.14Å; K119-D123 HydrophobicContact CD-CB 4.5Å; K119-D123 VanDerWaalsContact O-CB 3.23Å; K119-D123 WeakPolarHBondContact O-CB 3.32Å; K119-D123 PolarHBondContact O-N 3.17Å; K119-Y126 HydrophobicContact CB-CD2 3.81Å; K119-Y126 HydrophobicContact CB-CE2 4.02Å; K119-S191 WeakPolarHBondContact CE-O 3.28Å; K119-S191 PolarHBondContact NZ-O 2.91Å; K119-E192 WeakPolarHBondContact CE-OE2 3.48Å
120K89.1Confident87.2Confident144 Ų14477.1 Ų77.163%0.62636%0.357SS*.Hα-helixtrans-56.6-30.9175.9-169.9177.2-179.3-178.70113.7A116 K118 Y126 K291A116-K120 WeakPolarHBondContact O-CB 3.14Å; A116-K120 PolarHBondContact O-N 3.22Å; K118-K120 VanDerWaalsContact C-N 3.3Å; K118-K120 PolarHBondContact O-N 3.38Å; K120-Y126 HydrophobicContact CB-CD1 4.1Å; K120-Y126 HydrophobicContact CB-CE1 4.26Å; K120-Y126 HydrophobicContact CB-CG 4.36Å; K120-Y126 HydrophobicContact CG-CD1 4.12Å; K120-Y126 HydrophobicContact CG-CE1 4.41Å; K120-K291 PolarHBondContact O-NZ 2.86Å
121K87.2Confident86.9Confident163 Ų16373.1 Ų73.171%0.70935%0.345SS*.Hα-helixtrans-82.6-28.9-179.6-64.6179.1-176.8178.80113.4K118 K119 K291K118-K121 WeakPolarHBondContact O-CB 3.4Å; K118-K121 PolarHBondContact O-N 2.67Å; K119-K121 PolarHBondContact O-N 3.1Å; K119-K121 VanDerWaalsContact O-N 3.12Å; K121-K291 WeakPolarHBondContact O-CE 3.36Å
122I85Confident86.8Confident47 Ų4773 Ų7324%0.24134%0.342CS..Hα-helixtrans-104.4-30.9-173.564179.1000113.1K118 K119 P195K118-I122 PolarHBondContact O-N 3.4Å; K119-I122 HydrophobicContact CD-CD1 4.3Å; K119-I122 PolarHBondContact O-N 3.16Å; K119-I122 VanDerWaalsContact O-N 3.14Å; I122-P195 HydrophobicContact CD1-CB 3.33Å; I122-P195 HydrophobicContact CD1-CG 4.07Å
123D85.6Confident86.9Confident55 Ų5574.5 Ų74.529%0.29435%0.349SS..BIsolated β-bridgetrans-96.9129.7-174.4-170.5-11.5000109.4K119 E125 K291K119-D123 HydrophobicContact CD-CB 4.5Å; K119-D123 VanDerWaalsContact O-CB 3.23Å; K119-D123 WeakPolarHBondContact O-CB 3.32Å; K119-D123 PolarHBondContact O-N 3.17Å; D123-E125 PolarHBondContact OD1-N 3.11Å; D123-K291 PolarHBondContact O-NZ 3.47Å
124A83.1Confident86.8Confident47 Ų4777 Ų7739%0.38836%0.359SS..SBendtrans-79.9-24.6176.800000111.9I289 K291 V293A124-I289 HydrophobicContact CB-CD1 4.49Å; A124-K291 HydrophobicContact CB-CD 4.22Å; A124-V293 HydrophobicContact CB-CG1 4.2Å
125E83.4Confident86.7Confident121 Ų12172.5 Ų72.557%0.56535%0.346SS*.SBendtrans-104.314.7-174.5-62.6-178-156.400112.9D123 K127 S294D123-E125 PolarHBondContact OD1-N 3.11Å; E125-K127 PolarHBondContact O-N 2.79Å; E125-S294 WeakPolarHBondContact OE1-CB 3.25Å; E125-S294 PolarHBondContact OE1-OG 2.86Å
126Y86.2Confident86.8Confident66 Ų6674.7 Ų74.726%0.25936%0.356SS..  trans-53.9127.1-176.6174.7-98.6000112.8A116 K119 K120A116-Y126 HydrophobicContact CB-CE2 4.42Å; A116-Y126 VanDerWaalsContact CB-OH 3.31Å; A116-Y126 WeakPolarHBondContact CB-OH 3.47Å; K119-Y126 HydrophobicContact CB-CD2 3.81Å; K119-Y126 HydrophobicContact CB-CE2 4.02Å; K120-Y126 HydrophobicContact CB-CD1 4.1Å; K120-Y126 HydrophobicContact CB-CE1 4.26Å; K120-Y126 HydrophobicContact CB-CG 4.36Å; K120-Y126 HydrophobicContact CG-CD1 4.12Å; K120-Y126 HydrophobicContact CG-CE1 4.41Å
127K83.9Confident86.9Confident108 Ų10874.7 Ų74.747%0.4735%0.354SS..  trans-112.5129.4172-64.9178.6-1751740110.3E125 G129 G130E125-K127 PolarHBondContact O-N 2.79Å; K127-G129 PolarHBondContact O-N 3.15Å; K127-G129 VanDerWaalsContact O-N 3.17Å; K127-G130 PolarHBondContact O-N 3.43Å
128E80.3Confident86.8Confident111 Ų11172.6 Ų72.652%0.51934%0.343SS..THydrogen-bonded Turntrans-57.9122.1177.2-172.3-172.5-158.300110.8R73 G130 Q131R73-E128 IonicContact CZ-OE2 3.95Å; R73-E128 IonicContact NH1-OE2 2.78Å; R73-E128 PolarHBondContact NH1-OE2 3.47Å; E128-G130 PolarHBondContact O-N 2.99Å; E128-Q131 WeakPolarHBondContact O-CG 3.25Å; E128-Q131 PolarHBondContact O-NE2 3.28Å
129G77.2Confident86.9Confident11 Ų1168.3 Ų68.311%0.11333%0.325CS..THydrogen-bonded Turntrans76.80.5-179.200000115R73 S74 K127 Q131R73-G129 CarbonylContact O-C 3.56Å; S74-G129 WeakPolarHBondContact CA-O 3.39Å; K127-G129 PolarHBondContact O-N 3.15Å; K127-G129 VanDerWaalsContact O-N 3.17Å; G129-Q131 VanDerWaalsContact C-N 3.26Å; G129-Q131 PolarHBondContact O-N 2.74Å
130G81.6Confident87.1Confident17 Ų1767.8 Ų67.818%0.17532%0.324CS..  trans85.9-31.1-178.600000114.5K127 E128 R132K127-G130 PolarHBondContact O-N 3.43Å; E128-G130 PolarHBondContact O-N 2.99Å; G130-R132 VanDerWaalsContact C-N 3.31Å; G130-R132 PolarHBondContact O-N 3.22Å; G130-R132 VanDerWaalsContact O-N 3.11Å
131Q88Confident87.2Confident68 Ų6861.1 Ų61.132%0.31830%0.296SS..  trans34.257.9175.6-72179.964.700114.2R73 E128 G129 N133R73-Q131 HydrophobicContact CB-CG 4.13Å; R73-Q131 WeakPolarHBondContact O-CG 3.44Å; R73-Q131 PolarHBondContact O-N 3.39Å; E128-Q131 WeakPolarHBondContact O-CG 3.25Å; E128-Q131 PolarHBondContact O-NE2 3.28Å; G129-Q131 VanDerWaalsContact C-N 3.26Å; G129-Q131 PolarHBondContact O-N 2.74Å; Q131-N133 PolarHBondContact O-N 3.28Å
132R91.1Very high87.3Confident29 Ų2954 Ų5411%0.10927%0.269CS..BIsolated β-bridgetrans-66.6133.2-175-48-179.6177.2942.4110.7S74 L75 D76 S109 G130 Q136S74-R132 PolarHBondContact O-N 2.9Å; S74-R132 VanDerWaalsContact O-N 3.15Å; L75-R132 HydrophobicContact CD2-CB 3.78Å; L75-R132 HydrophobicContact CD2-CG 4.48Å; D76-R132 PolarHBondContact N-O 3.5Å; S109-R132 PolarHBondContact OG-NH1 3.49Å; G130-R132 VanDerWaalsContact C-N 3.31Å; G130-R132 PolarHBondContact O-N 3.22Å; G130-R132 VanDerWaalsContact O-N 3.11Å; R132-Q136 HydrophobicContact CB-CB 4.11Å
133N93.1Very high87.6Confident39 Ų3952.4 Ų52.421%0.20926%0.261CS..  trans-92.6176.4-179.867.911.6000111.6D76 Q131 V135 Q136 V137D76-N133 WeakPolarHBondContact OD2-CA 3.39Å; D76-N133 WeakPolarHBondContact OD2-CB 3.11Å; Q131-N133 PolarHBondContact O-N 3.28Å; N133-V135 PolarHBondContact O-N 3.49Å; N133-V135 WeakPolarHBondContact OD1-CB 3.3Å; N133-V135 PolarHBondContact OD1-N 3.09Å; N133-Q136 PolarHBondContact O-N 3.42Å; N133-Q136 PolarHBondContact OD1-N 3.22Å; N133-V137 WeakPolarHBondContact O-CG2 3.37Å; N133-V137 PolarHBondContact O-N 3.26Å; N133-V137 VanDerWaalsContact O-N 3.08Å
134W88.9Confident88.1Confident148 Ų14849.8 Ų49.856%0.56125%0.247SC*.Hα-helixtrans-60.2-32.6179.974.7-89.9000113.2S78 V137 F138S78-W134 PolarHBondContact OG-N 3.21Å; S78-W134 VanDerWaalsContact OG-N 3.1Å; W134-V137 PolarHBondContact O-N 2.86Å; W134-F138 HydrophobicContact CE3-CB 4.45Å; W134-F138 WeakPolarHBondContact O-CB 3.26Å; W134-F138 PolarHBondContact O-N 3.45Å
135V90.8Very high88.7Confident39 Ų3948.4 Ų48.424%0.23623%0.234CC..Hα-helixtrans-65-46.8178.2-1780000110.2N133 V137 F138 C139 N312N133-V135 PolarHBondContact O-N 3.49Å; N133-V135 WeakPolarHBondContact OD1-CB 3.3Å; N133-V135 PolarHBondContact OD1-N 3.09Å; V135-V137 VanDerWaalsContact C-N 3.29Å; V135-V137 PolarHBondContact O-N 3.17Å; V135-F138 PolarHBondContact O-N 3.27Å; V135-C139 WeakPolarHBondContact O-CB 3.38Å; V135-C139 PolarHBondContact O-N 2.84Å; V135-C139 PolarHBondContact O-SG 3.04Å; V135-C139 VanDerWaalsContact O-SG 3.38Å; V135-N312 HydrophobicContact CG1-CB 4.04Å
136Q92.2Very high89.1Confident47 Ų4748.5 Ų48.522%0.2223%0.234CC..Hα-helixtrans-63.3-36.5176-79.2-178.7-11.500112.6R132 N133 N140 N312R132-Q136 HydrophobicContact CB-CB 4.11Å; N133-Q136 PolarHBondContact O-N 3.42Å; N133-Q136 PolarHBondContact OD1-N 3.22Å; Q136-N140 WeakPolarHBondContact O-CB 3.42Å; Q136-N140 PolarHBondContact O-N 2.82Å; Q136-N140 PolarHBondContact O-ND2 3.37Å; Q136-N312 WeakPolarHBondContact CG-OD1 3.45Å
137V91.8Very high89.4Confident19 Ų1946.4 Ų46.412%0.11523%0.227CC..Hα-helixtrans-68.4-39.7174.9174.90000110.9L75 A83 V86 N133 W134 V135 G141L75-V137 HydrophobicContact CD2-CG2 4.17Å; A83-V137 HydrophobicContact CB-CG1 4.33Å; V86-V137 HydrophobicContact CG2-CG1 4.05Å; N133-V137 WeakPolarHBondContact O-CG2 3.37Å; N133-V137 PolarHBondContact O-N 3.26Å; N133-V137 VanDerWaalsContact O-N 3.08Å; W134-V137 PolarHBondContact O-N 2.86Å; V135-V137 VanDerWaalsContact C-N 3.29Å; V135-V137 PolarHBondContact O-N 3.17Å; V137-G141 VanDerWaalsContact O-CA 3.22Å; V137-G141 WeakPolarHBondContact O-CA 3.49Å; V137-G141 PolarHBondContact O-N 2.82Å
138F87.4Confident90Very high117 Ų11741.2 Ų41.251%0.51321%0.205SC..Hα-helixtrans-66.7-46.2176177.8-96.4000112W134 V135 N140 G142W134-F138 HydrophobicContact CE3-CB 4.45Å; W134-F138 WeakPolarHBondContact O-CB 3.26Å; W134-F138 PolarHBondContact O-N 3.45Å; V135-F138 PolarHBondContact O-N 3.27Å; F138-N140 VanDerWaalsContact C-N 3.32Å; F138-N140 PolarHBondContact O-N 3.23Å; F138-G142 WeakPolarHBondContact O-CA 3.07Å; F138-G142 PolarHBondContact O-N 2.99Å
139C90Very high90.5Very high8 Ų839.8 Ų39.85%0.05420%0.2CC..Hα-helixtrans-66.5-32.8-178.1-70.30000113.3V135 N312 L316V135-C139 WeakPolarHBondContact O-CB 3.38Å; V135-C139 PolarHBondContact O-N 2.84Å; V135-C139 PolarHBondContact O-SG 3.04Å; V135-C139 VanDerWaalsContact O-SG 3.38Å; C139-N312 HydrophobicContact CB-CB 4.16Å; C139-N312 VanDerWaalsContact CB-O 3.3Å; C139-N312 WeakPolarHBondContact CB-O 3.45Å; C139-N312 PolarHBondContact SG-O 2.85Å; C139-N312 VanDerWaalsContact SG-O 3.38Å; C139-L316 HydrophobicContact CB-CB 4.11Å
140N93.6Very high90.9Very high20 Ų2042.9 Ų42.911%0.10721%0.214CC..Hα-helixtrans-93.9-25.6178.3-66.3-54.6000113.9F104 Q136 F138 S184F104-N140 HydrophobicContact CE1-CB 4.31Å; Q136-N140 WeakPolarHBondContact O-CB 3.42Å; Q136-N140 PolarHBondContact O-N 2.82Å; Q136-N140 PolarHBondContact O-ND2 3.37Å; F138-N140 VanDerWaalsContact C-N 3.32Å; F138-N140 PolarHBondContact O-N 3.23Å; N140-S184 WeakPolarHBondContact OD1-CB 3.42Å; N140-S184 PolarHBondContact OD1-OG 2.72Å
141G91.1Very high91.4Very high3 Ų342.1 Ų42.13%0.03121%0.206CC..Hα-helixtrans-112.1-13-173.700000114.5V137 T145V137-G141 VanDerWaalsContact O-CA 3.22Å; V137-G141 WeakPolarHBondContact O-CA 3.49Å; V137-G141 PolarHBondContact O-N 2.82Å; G141-T145 VanDerWaalsContact O-CB 3.28Å; G141-T145 WeakPolarHBondContact O-CB 3.49Å; G141-T145 PolarHBondContact O-N 3.18Å; G141-T145 PolarHBondContact O-OG1 2.92Å
142G88.4Confident91.5Very high14 Ų1441 Ų4114%0.14420%0.201CC..Hα-helixtrans-66.1-52.5-177.600000112.6F138 T145 E146F138-G142 WeakPolarHBondContact O-CA 3.07Å; F138-G142 PolarHBondContact O-N 2.99Å; G142-T145 WeakPolarHBondContact O-CA 3.15Å; G142-T145 WeakPolarHBondContact O-CB 3.23Å; G142-T145 PolarHBondContact O-N 3.26Å; G142-E146 PolarHBondContact O-N 3.4Å
143V92.1Very high91.2Very high14 Ų1446.3 Ų46.39%0.08523%0.23CC..Hα-helixtrans-58.2-48.7176.2175.20000111.4T145 E146 L147 A180 L316 V320 A323V143-T145 VanDerWaalsContact C-N 3.29Å; V143-T145 PolarHBondContact O-N 3.2Å; V143-E146 PolarHBondContact O-N 2.9Å; V143-L147 HydrophobicContact CG1-CD1 3.9Å; V143-L147 WeakPolarHBondContact O-CB 3.21Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3.32Å; V143-A180 HydrophobicContact CB-CB 4.44Å; V143-A180 HydrophobicContact CG1-CB 3.98Å; V143-L316 HydrophobicContact CG2-CD1 3.69Å; V143-V320 HydrophobicContact CG2-CG2 3.47Å; V143-V320 VanDerWaalsContact CG2-CG2 3.47Å; V143-A323 HydrophobicContact CG1-CB 4.02Å
144P96.6Very high90.8Very high0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-55.8-39.6170.8-27.832.9000114.3L90 A148 L177 A180 L181L90-P144 HydrophobicContact CD2-CB 4.27Å; P144-A148 VanDerWaalsContact O-CB 3.26Å; P144-A148 WeakPolarHBondContact O-CB 3.39Å; P144-A148 PolarHBondContact O-N 2.96Å; P144-L177 HydrophobicContact CB-CD1 4.49Å; P144-L177 HydrophobicContact CB-CG 4.01Å; P144-L177 WeakPolarHBondContact O-CD1 3.15Å; P144-A180 HydrophobicContact CG-CB 3.91Å; P144-L181 HydrophobicContact CB-CD2 4.03Å; P144-L181 HydrophobicContact CB-CG 4.1Å; P144-L181 HydrophobicContact CG-CD2 3.58Å; P144-L181 HydrophobicContact CG-CG 3.76Å
145T94.9Very high90.8Very high18 Ų1845.4 Ų45.411%0.1124%0.235CC..Hα-helixtrans-68.7-43.6-179.1-60.30000111.4V86 V89 G141 G142 V143 A148 L149V86-T145 WeakPolarHBondContact CG2-OG1 3.37Å; V89-T145 HydrophobicContact CB-CG2 4.01Å; V89-T145 HydrophobicContact CG1-CG2 3.84Å; V89-T145 HydrophobicContact CG2-CG2 4.14Å; G141-T145 VanDerWaalsContact O-CB 3.28Å; G141-T145 WeakPolarHBondContact O-CB 3.49Å; G141-T145 PolarHBondContact O-N 3.18Å; G141-T145 PolarHBondContact O-OG1 2.92Å; G142-T145 WeakPolarHBondContact O-CA 3.15Å; G142-T145 WeakPolarHBondContact O-CB 3.23Å; G142-T145 PolarHBondContact O-N 3.26Å; V143-T145 VanDerWaalsContact C-N 3.29Å; V143-T145 PolarHBondContact O-N 3.2Å; T145-A148 PolarHBondContact O-N 3.28Å; T145-L149 HydrophobicContact CG2-CD1 4.41Å; T145-L149 WeakPolarHBondContact O-CG 3.42Å; T145-L149 PolarHBondContact O-N 3.47Å
146E91.7Very high90.6Very high123 Ų12344.5 Ų44.558%0.57523%0.233SC*.Hα-helixtrans-62-47.6175.6-176.4174.2-170.700111G142 V143 A148 L149 L150G142-E146 PolarHBondContact O-N 3.4Å; V143-E146 PolarHBondContact O-N 2.9Å; E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 3.31Å; E146-L149 WeakPolarHBondContact O-CB 2.94Å; E146-L149 PolarHBondContact O-N 3.24Å; E146-L149 VanDerWaalsContact O-N 3.13Å; E146-L150 HydrophobicContact CG-CD1 4.39Å; E146-L150 WeakPolarHBondContact O-CG 3.42Å; E146-L150 PolarHBondContact O-N 2.94Å
147L92.8Very high90.5Very high21 Ų2144.5 Ų44.511%0.1124%0.237CC..Hα-helixtrans-61.4-36.8175.5-71.6167.1000112.3V143 L150 Y151 W172 L177 A323V143-L147 HydrophobicContact CG1-CD1 3.9Å; V143-L147 WeakPolarHBondContact O-CB 3.21Å; V143-L147 WeakPolarHBondContact O-CG 3.46Å; V143-L147 PolarHBondContact O-N 3.32Å; L147-L150 PolarHBondContact O-N 2.78Å; L147-Y151 VanDerWaalsContact O-CB 3.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.49Å; L147-Y151 PolarHBondContact O-N 3.08Å; L147-W172 HydrophobicContact CD2-CZ3 4.49Å; L147-L177 HydrophobicContact CB-CB 4.24Å; L147-L177 HydrophobicContact CB-CD1 4.34Å; L147-L177 HydrophobicContact CD1-CB 4.26Å; L147-A323 HydrophobicContact CD1-CB 4.22Å
148A95.6Very high90.4Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-66.4-37.817500000112.4V89 L90 A93 F97 P144 T145 E146 M152 L177V89-A148 HydrophobicContact CG1-CB 4.02Å; L90-A148 HydrophobicContact CD1-CB 3.93Å; L90-A148 HydrophobicContact CG-CB 4.29Å; A93-A148 HydrophobicContact CB-CB 3.8Å; F97-A148 HydrophobicContact CD2-CB 4.25Å; P144-A148 VanDerWaalsContact O-CB 3.26Å; P144-A148 WeakPolarHBondContact O-CB 3.39Å; P144-A148 PolarHBondContact O-N 2.96Å; T145-A148 PolarHBondContact O-N 3.28Å; E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 3.31Å; A148-M152 WeakPolarHBondContact O-CG 3.04Å; A148-M152 PolarHBondContact O-N 2.84Å; A148-L177 HydrophobicContact CB-CD1 3.9Å
149L90.8Very high90.6Very high80 Ų8040.6 Ų40.642%0.41922%0.224SC..Hα-helixtrans-66.2-46.5174-70.4165.8000111.1V89 T145 E146 Y151 M152 I153V89-L149 HydrophobicContact CG1-CD2 3.91Å; V89-L149 HydrophobicContact CG1-CG 3.87Å; T145-L149 HydrophobicContact CG2-CD1 4.41Å; T145-L149 WeakPolarHBondContact O-CG 3.42Å; T145-L149 PolarHBondContact O-N 3.47Å; E146-L149 WeakPolarHBondContact O-CB 2.94Å; E146-L149 PolarHBondContact O-N 3.24Å; E146-L149 VanDerWaalsContact O-N 3.13Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 2.89Å; L149-M152 HydrophobicContact CD2-CE 3.73Å; L149-M152 HydrophobicContact CG-CE 4.45Å; L149-M152 PolarHBondContact O-N 3.34Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.48Å; L149-I153 PolarHBondContact O-N 2.63Å
150L86.6Confident90.6Very high77 Ų7741.3 Ų41.340%0.40323%0.226SC..Hα-helixtrans-60.1-43.7176.1-68.9173.7000111.5E146 L147 M152 I153 E154 M173E146-L150 HydrophobicContact CG-CD1 4.39Å; E146-L150 WeakPolarHBondContact O-CG 3.42Å; E146-L150 PolarHBondContact O-N 2.94Å; L147-L150 PolarHBondContact O-N 2.78Å; L150-M152 PolarHBondContact O-N 2.93Å; L150-I153 PolarHBondContact O-N 3.21Å; L150-I153 VanDerWaalsContact O-N 3.12Å; L150-E154 PolarHBondContact O-N 3Å; L150-M173 HydrophobicContact CB-CE 4.2Å; L150-M173 HydrophobicContact CB-SD 4.44Å
151Y92Very high90.7Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-57.9-45.5174.1177.7-89.3000112A93 N94 F97 L147 L149 I153 E154 V155 G156 G158 I160 A170 M173A93-Y151 HydrophobicContact CB-CD1 4.38Å; N94-Y151 HydrophobicContact CB-CE1 4.3Å; F97-Y151 AromaticContact CE2-CD1 3.91Å; F97-Y151 HydrophobicContact CE2-CD1 3.91Å; F97-Y151 HydrophobicContact CE2-CD2 4.38Å; F97-Y151 HydrophobicContact CE2-CE1 4.31Å; F97-Y151 AromaticContact CE2-CG 3.94Å; F97-Y151 HydrophobicContact CE2-CG 3.94Å; F97-Y151 HydrophobicContact CZ-CD1 4.34Å; F97-Y151 HydrophobicContact CZ-CD2 4.11Å; F97-Y151 HydrophobicContact CZ-CE1 4.49Å; F97-Y151 HydrophobicContact CZ-CE2 4.26Å; F97-Y151 HydrophobicContact CZ-CG 4.14Å; L147-Y151 VanDerWaalsContact O-CB 3.23Å; L147-Y151 WeakPolarHBondContact O-CB 3.49Å; L147-Y151 PolarHBondContact O-N 3.08Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 2.89Å; Y151-I153 VanDerWaalsContact C-N 3.28Å; Y151-I153 PolarHBondContact O-N 2.9Å; Y151-E154 PolarHBondContact O-N 3.24Å; Y151-V155 HydrophobicContact CD2-CB 4.21Å; Y151-V155 HydrophobicContact CD2-CG2 3.95Å; Y151-V155 HydrophobicContact CE2-CB 4.04Å; Y151-V155 HydrophobicContact CE2-CG1 4.06Å; Y151-V155 HydrophobicContact CE2-CG2 4.02Å; Y151-V155 WeakPolarHBondContact O-CA 3.45Å; Y151-V155 VanDerWaalsContact O-CB 3.31Å; Y151-V155 WeakPolarHBondContact O-CB 3.37Å; Y151-V155 PolarHBondContact O-N 3.49Å; Y151-G156 VanDerWaalsContact CE1-O 3.27Å; Y151-G156 WeakPolarHBondContact CE1-O 3.15Å; Y151-G156 PolarHBondContact O-N 2.87Å; Y151-G156 VanDerWaalsContact O-N 3.13Å; Y151-G158 PolarHBondContact OH-O 3.48Å; Y151-I160 HydrophobicContact CE2-CD1 3.66Å; Y151-I160 HydrophobicContact CE2-CG1 4.18Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.44Å; Y151-I160 VanDerWaalsContact OH-CG1 3.29Å; Y151-I160 WeakPolarHBondContact OH-CG1 3.45Å; Y151-I160 WeakPolarHBondContact OH-CG2 3.25Å; Y151-A170 HydrophobicContact CE2-CB 4.45Å; Y151-M173 HydrophobicContact CD2-CB 4.34Å
152M90.8Very high90.8Very high46 Ų4641.2 Ų41.223%0.22723%0.226CC..Hα-helixtrans-64.7-31176.3-75.9-172.2-65.100113.4V89 M92 A93 A148 L149 L150 G156 P157V89-M152 HydrophobicContact CG1-CE 3.94Å; M92-M152 HydrophobicContact CB-SD 4.03Å; A93-M152 HydrophobicContact CB-CE 4.24Å; A93-M152 HydrophobicContact CB-CG 3.61Å; A93-M152 HydrophobicContact CB-SD 3.86Å; A148-M152 WeakPolarHBondContact O-CG 3.04Å; A148-M152 PolarHBondContact O-N 2.84Å; L149-M152 HydrophobicContact CD2-CE 3.73Å; L149-M152 HydrophobicContact CG-CE 4.45Å; L149-M152 PolarHBondContact O-N 3.34Å; L150-M152 PolarHBondContact O-N 2.93Å; M152-G156 VanDerWaalsContact O-CA 3.28Å; M152-G156 WeakPolarHBondContact O-CA 3.35Å; M152-G156 PolarHBondContact O-N 3.13Å; M152-P157 HydrophobicContact CG-CB 4.41Å
153I84.4Confident91.1Very high140 Ų14041 Ų4172%0.71822%0.222SC*.Hα-helixtrans-76.1-44.7178.5-67.8164.2000111L149 L150 Y151L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.48Å; L149-I153 PolarHBondContact O-N 2.63Å; L150-I153 PolarHBondContact O-N 3.21Å; L150-I153 VanDerWaalsContact O-N 3.12Å; Y151-I153 VanDerWaalsContact C-N 3.28Å; Y151-I153 PolarHBondContact O-N 2.9Å
154E84.9Confident91.2Very high114 Ų11440.9 Ų40.953%0.53322%0.22SC..Hα-helixtrans-84.6-41-173.3-173.9170.5158.200112.9L150 Y151 S169 M173L150-E154 PolarHBondContact O-N 3Å; Y151-E154 PolarHBondContact O-N 3.24Å; E154-S169 WeakPolarHBondContact OE1-CB 3.35Å; E154-S169 PolarHBondContact OE1-OG 2.93Å; E154-M173 HydrophobicContact CB-CE 4.38Å; E154-M173 WeakPolarHBondContact OE2-CE 3.21Å
155V88.2Confident90.8Very high54 Ų5444.3 Ų44.333%0.32726%0.256SS..THydrogen-bonded Turntrans-107.1-35.1-172-172.60000111.2Y151 I160 A170Y151-V155 HydrophobicContact CD2-CB 4.21Å; Y151-V155 HydrophobicContact CD2-CG2 3.95Å; Y151-V155 HydrophobicContact CE2-CB 4.04Å; Y151-V155 HydrophobicContact CE2-CG1 4.06Å; Y151-V155 HydrophobicContact CE2-CG2 4.02Å; Y151-V155 WeakPolarHBondContact O-CA 3.45Å; Y151-V155 VanDerWaalsContact O-CB 3.31Å; Y151-V155 WeakPolarHBondContact O-CB 3.37Å; Y151-V155 PolarHBondContact O-N 3.49Å; V155-I160 HydrophobicContact CG1-CD1 4.3Å; V155-I160 HydrophobicContact CG1-CG2 4.45Å; V155-A170 HydrophobicContact CG1-CB 4.18Å; V155-A170 HydrophobicContact CG2-CB 3.52Å
156G86.9Confident90.6Very high19 Ų1949.9 Ų49.920%0.19628%0.279CS..  trans94159.8-170.200000112.7Y151 M152 G158Y151-G156 VanDerWaalsContact CE1-O 3.27Å; Y151-G156 WeakPolarHBondContact CE1-O 3.15Å; Y151-G156 PolarHBondContact O-N 2.87Å; Y151-G156 VanDerWaalsContact O-N 3.13Å; M152-G156 VanDerWaalsContact O-CA 3.28Å; M152-G156 WeakPolarHBondContact O-CA 3.35Å; M152-G156 PolarHBondContact O-N 3.13Å; G156-G158 PolarHBondContact O-N 3.01Å
157P89.2Confident90.5Very high47 Ų4748.3 Ų48.331%0.30527%0.271SS..SBendtrans-68.2128179.927.2-33.2000111.1V50 M92 A93 M152V50-P157 HydrophobicContact CG2-CB 3.92Å; V50-P157 HydrophobicContact CG2-CG 3.31Å; M92-P157 WeakPolarHBondContact O-CB 3.1Å; A93-P157 WeakPolarHBondContact O-CA 3.47Å; M152-P157 HydrophobicContact CG-CB 4.41Å
158G89.4Confident90.5Very high17 Ų1751.6 Ų51.618%0.17528%0.283CS..SBendtrans161.7154.9-175.300000113R54 A93 N94 Y151 G156R54-G158 VanDerWaalsContact NH1-N 3.17Å; A93-G158 PolarHBondContact O-N 3.03Å; N94-G158 PolarHBondContact ND2-O 3.33Å; Y151-G158 PolarHBondContact OH-O 3.48Å; G156-G158 PolarHBondContact O-N 3.01Å
159E91.9Very high90.4Very high38 Ų3854.2 Ų54.218%0.17830%0.301CS..  trans-85.8116.1172.6-63.568-152.200108.7R54 L95 A245 V246R54-E159 IonicContact CZ-OE1 3.52Å; R54-E159 IonicContact CZ-OE2 3.82Å; R54-E159 IonicContact NH2-OE1 2.77Å; R54-E159 PolarHBondContact NH2-OE1 2.9Å; R54-E159 IonicContact NH2-OE2 2.66Å; R54-E159 PolarHBondContact NH2-OE2 2.97Å; L95-E159 HydrophobicContact CB-CG 4.34Å; L95-E159 VanDerWaalsContact CB-OE1 3.24Å; L95-E159 WeakPolarHBondContact CB-OE1 3.21Å; L95-E159 WeakPolarHBondContact CG-OE1 3.22Å; L95-E159 PolarHBondContact N-OE1 3.11Å; E159-A245 HydrophobicContact CB-CB 4.39Å; E159-A245 HydrophobicContact CG-CB 3.86Å; E159-V246 HydrophobicContact CB-CG2 3.66Å
160I91.5Very high90.5Very high22 Ų2250.7 Ų50.711%0.11328%0.284CS..  trans-113.7149.1171.668.8177.2000109.9Y151 V155 A170 Q242Y151-I160 HydrophobicContact CE2-CD1 3.66Å; Y151-I160 HydrophobicContact CE2-CG1 4.18Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.44Å; Y151-I160 VanDerWaalsContact OH-CG1 3.29Å; Y151-I160 WeakPolarHBondContact OH-CG1 3.45Å; Y151-I160 WeakPolarHBondContact OH-CG2 3.25Å; V155-I160 HydrophobicContact CG1-CD1 4.3Å; V155-I160 HydrophobicContact CG1-CG2 4.45Å; I160-A170 HydrophobicContact CD1-CB 3.19Å; I160-Q242 PolarHBondContact O-NE2 2.95Å; I160-Q242 VanDerWaalsContact O-NE2 3.09Å; I160-Q242 PolarHBondContact O-OE1 3.11Å
161P94.1Very high91Very high21 Ų2147 Ų4714%0.13626%0.264CS..  trans-71.9155168.632.2-34.8000111.4D163 V246 L249 A252P161-D163 PolarHBondContact O-N 2.97Å; P161-V246 HydrophobicContact CB-CG1 4.44Å; P161-V246 HydrophobicContact CG-CG1 4.41Å; P161-L249 HydrophobicContact CB-CD1 3.74Å; P161-A252 HydrophobicContact CB-CB 3.54Å; P161-A252 HydrophobicContact CG-CB 3.68Å
162I95.1Very high91.2Very high0 Ų049.8 Ų49.80%028%0.275CS..  trans-76.6105.6170.1-52.9-58.2000108.2F164 C174 L175 Q255 V258 W334I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 4.04Å; I162-C174 HydrophobicContact CD1-CB 3.34Å; I162-L175 HydrophobicContact CD1-CD2 4.15Å; I162-L175 HydrophobicContact CD1-CG 4.31Å; I162-L175 HydrophobicContact CG1-CD2 4.22Å; I162-L175 HydrophobicContact CG2-CD1 4.31Å; I162-L175 HydrophobicContact CG2-CD2 4.45Å; I162-L175 HydrophobicContact CG2-CG 4.29Å; I162-Q255 PolarHBondContact O-NE2 3.35Å; I162-V258 HydrophobicContact CG1-CG2 4.05Å; I162-W334 HydrophobicContact CB-CH2 4.38Å; I162-W334 HydrophobicContact CB-CZ2 3.78Å; I162-W334 HydrophobicContact CG1-CZ2 4.34Å; I162-W334 HydrophobicContact CG2-CD2 4.28Å; I162-W334 HydrophobicContact CG2-CH2 3.9Å; I162-W334 HydrophobicContact CG2-CZ2 3.51Å; I162-W334 HydrophobicContact CG2-CZ3 4.44Å
163D94.3Very high91.4Very high9 Ų948.5 Ų48.55%0.04827%0.268CS..  trans-141.997.2-179.7-176.1-33.9000107.9P161 G165 K166 Q167 S171 A252P161-D163 PolarHBondContact O-N 2.97Å; D163-G165 PolarHBondContact O-N 3.17Å; D163-G165 PolarHBondContact OD1-N 2.82Å; D163-K166 HydrophobicContact CB-CB 4.49Å; D163-K166 PolarHBondContact O-N 2.72Å; D163-K166 PolarHBondContact OD1-N 3.24Å; D163-K166 VanDerWaalsContact OD2-CD 3.23Å; D163-K166 WeakPolarHBondContact OD2-CD 3.43Å; D163-K166 VanDerWaalsContact OD2-CE 3.24Å; D163-K166 WeakPolarHBondContact OD2-CE 3.32Å; D163-K166 WeakPolarHBondContact OD2-CG 3.41Å; D163-K166 IonicContact OD2-NZ 2.82Å; D163-K166 PolarHBondContact OD2-NZ 2.76Å; D163-Q167 CarbonylContact O-C 3.59Å; D163-Q167 PolarHBondContact O-N 3.41Å; D163-S171 VanDerWaalsContact C-OG 3.24Å; D163-S171 PolarHBondContact N-OG 2.99Å; D163-S171 PolarHBondContact O-OG 3.41Å; D163-S171 VanDerWaalsContact O-OG 3.13Å; D163-A252 HydrophobicContact CB-CB 4.36Å
164F92.9Very high92Very high12 Ų1241.8 Ų41.85%0.05323%0.234CC..THydrogen-bonded Turntrans-70.6-19.9-177.6-73.4-75.2000112.8I162 Y168 L175 W331 W334I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 4.04Å; F164-Y168 AromaticContact CD1-CD2 3.74Å; F164-Y168 HydrophobicContact CD1-CD2 3.74Å; F164-Y168 AromaticContact CD1-CE2 4Å; F164-Y168 HydrophobicContact CD1-CE2 4Å; F164-Y168 HydrophobicContact CE1-CE2 4.42Å; F164-L175 HydrophobicContact CE2-CD1 4.01Å; F164-L175 HydrophobicContact CZ-CD1 3.62Å; F164-W331 VanDerWaalsContact CB-CD1 3.43Å; F164-W331 HydrophobicContact CB-CG 4.48Å; F164-W331 HydrophobicContact CD1-CB 3.97Å; F164-W331 AromaticContact CD1-CD1 3.7Å; F164-W331 HydrophobicContact CD1-CG 4.02Å; F164-W331 HydrophobicContact CD2-CB 4.39Å; F164-W331 HydrophobicContact CE1-CB 3.8Å; F164-W331 HydrophobicContact CE1-CG 4.33Å; F164-W331 HydrophobicContact CE2-CB 4.23Å; F164-W331 HydrophobicContact CG-CB 4.25Å; F164-W331 AromaticContact CG-CD1 3.48Å; F164-W331 VanDerWaalsContact CG-CD1 3.48Å; F164-W331 HydrophobicContact CG-CG 4.17Å; F164-W331 HydrophobicContact CZ-CB 3.9Å; F164-W334 HydrophobicContact CD2-CB 3.86Å; F164-W334 HydrophobicContact CD2-CD2 4.3Å; F164-W334 AromaticContact CD2-CG 3.89Å; F164-W334 HydrophobicContact CD2-CG 3.89Å; F164-W334 HydrophobicContact CE2-CB 4.02Å; F164-W334 AromaticContact CE2-CD2 3.92Å; F164-W334 HydrophobicContact CE2-CD2 3.92Å; F164-W334 AromaticContact CE2-CE3 3.96Å; F164-W334 HydrophobicContact CE2-CE3 3.96Å; F164-W334 AromaticContact CE2-CG 3.96Å; F164-W334 HydrophobicContact CE2-CG 3.96Å
165G89.5Confident92.7Very high73 Ų7336.4 Ų36.475%0.75321%0.209SC*.THydrogen-bonded Turntrans-74.9-39.517800000112.2D163D163-G165 PolarHBondContact O-N 3.17Å; D163-G165 PolarHBondContact OD1-N 2.82Å
166K89.6Confident93.1Very high134 Ų13433.8 Ų33.858%0.58319%0.193SC*.THydrogen-bonded Turntrans-92.7-40.8-179.4-63-178.2-161.7131.80113.3D163 L251D163-K166 HydrophobicContact CB-CB 4.49Å; D163-K166 PolarHBondContact O-N 2.72Å; D163-K166 PolarHBondContact OD1-N 3.24Å; D163-K166 VanDerWaalsContact OD2-CD 3.23Å; D163-K166 WeakPolarHBondContact OD2-CD 3.43Å; D163-K166 VanDerWaalsContact OD2-CE 3.24Å; D163-K166 WeakPolarHBondContact OD2-CE 3.32Å; D163-K166 WeakPolarHBondContact OD2-CG 3.41Å; D163-K166 IonicContact OD2-NZ 2.82Å; D163-K166 PolarHBondContact OD2-NZ 2.76Å; K166-L251 PolarHBondContact NZ-O 2.97Å
167Q90.9Very high93.7Very high90 Ų9033 Ų3342%0.42118%0.184SC..  trans-140.474.2-171.6-63.8-172.5-200111D163 A170 S171D163-Q167 CarbonylContact O-C 3.59Å; D163-Q167 PolarHBondContact O-N 3.41Å; Q167-A170 HydrophobicContact CB-CB 4.08Å; Q167-S171 VanDerWaalsContact O-CB 3.25Å; Q167-S171 WeakPolarHBondContact O-CB 3.23Å; Q167-S171 PolarHBondContact O-N 3.48Å; Q167-S171 PolarHBondContact O-OG 3.18Å
168Y92.9Very high94.1Very high90 Ų9030.7 Ų30.735%0.35317%0.17SC..Hα-helixtrans-56.3-57.5-178.8-179.4-94.1000113.2F164 A170 S171 W172 W331F164-Y168 AromaticContact CD1-CD2 3.74Å; F164-Y168 HydrophobicContact CD1-CD2 3.74Å; F164-Y168 AromaticContact CD1-CE2 4Å; F164-Y168 HydrophobicContact CD1-CE2 4Å; F164-Y168 HydrophobicContact CE1-CE2 4.42Å; Y168-A170 VanDerWaalsContact C-N 3.32Å; Y168-A170 PolarHBondContact O-N 3.27Å; Y168-S171 PolarHBondContact O-N 3.4Å; Y168-W172 WeakPolarHBondContact O-CB 3.24Å; Y168-W172 PolarHBondContact O-N 2.8Å; Y168-W331 HydrophobicContact CD2-CD2 4.24Å; Y168-W331 HydrophobicContact CD2-CG 4.35Å; Y168-W331 HydrophobicContact CD2-CZ2 4.44Å; Y168-W331 HydrophobicContact CE2-CB 4.3Å; Y168-W331 AromaticContact CE2-CD2 3.43Å; Y168-W331 HydrophobicContact CE2-CD2 3.43Å; Y168-W331 VanDerWaalsContact CE2-CD2 3.43Å; Y168-W331 AromaticContact CE2-CE2 3.63Å; Y168-W331 AromaticContact CE2-CE3 3.74Å; Y168-W331 HydrophobicContact CE2-CE3 3.74Å; Y168-W331 AromaticContact CE2-CG 3.69Å; Y168-W331 HydrophobicContact CE2-CG 3.69Å; Y168-W331 HydrophobicContact CE2-CH2 4.35Å; Y168-W331 HydrophobicContact CE2-CZ2 4.1Å; Y168-W331 HydrophobicContact CE2-CZ3 4.19Å; Y168-W331 AromaticContact CE2-NE1 3.97Å
169S92.1Very high94.5Very high55 Ų5529.9 Ų29.939%0.38516%0.161SC..Hα-helixtrans-59.5-43.9-175.7-53.70000112E154 W172 M173E154-S169 WeakPolarHBondContact OE1-CB 3.35Å; E154-S169 PolarHBondContact OE1-OG 2.93Å; S169-W172 PolarHBondContact O-N 3.43Å; S169-M173 WeakPolarHBondContact O-CG 3.32Å; S169-M173 PolarHBondContact O-N 3.27Å
170A93.5Very high94.9Very high6 Ų628.1 Ų28.15%0.0515%0.153CC..Hα-helixtrans-67.8-44-177.600000111.6Y151 V155 I160 Q167 Y168 W172 M173 C174Y151-A170 HydrophobicContact CE2-CB 4.45Å; V155-A170 HydrophobicContact CG1-CB 4.18Å; V155-A170 HydrophobicContact CG2-CB 3.52Å; I160-A170 HydrophobicContact CD1-CB 3.19Å; Q167-A170 HydrophobicContact CB-CB 4.08Å; Y168-A170 VanDerWaalsContact C-N 3.32Å; Y168-A170 PolarHBondContact O-N 3.27Å; A170-W172 VanDerWaalsContact C-N 3.32Å; A170-W172 PolarHBondContact O-N 3.28Å; A170-M173 PolarHBondContact O-N 2.74Å; A170-C174 WeakPolarHBondContact O-CB 3.08Å; A170-C174 PolarHBondContact O-N 3.4Å; A170-C174 PolarHBondContact O-SG 3.25Å
171S96.2Very high95.2Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-59.9-42.9173.2-63.90000111.9D163 Q167 Y168 C174 L175D163-S171 VanDerWaalsContact C-OG 3.24Å; D163-S171 PolarHBondContact N-OG 2.99Å; D163-S171 PolarHBondContact O-OG 3.41Å; D163-S171 VanDerWaalsContact O-OG 3.13Å; Q167-S171 VanDerWaalsContact O-CB 3.25Å; Q167-S171 WeakPolarHBondContact O-CB 3.23Å; Q167-S171 PolarHBondContact O-N 3.48Å; Q167-S171 PolarHBondContact O-OG 3.18Å; Y168-S171 PolarHBondContact O-N 3.4Å; S171-C174 PolarHBondContact O-N 3.05Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 3.42Å
172W96.3Very high95.4Very high58 Ų5826 Ų2622%0.2214%0.141CC..Hα-helixtrans-62.5-46.3176.9-171.7101.4000111.4L147 Y168 S169 A170 L175 S176 L324 P327L147-W172 HydrophobicContact CD2-CZ3 4.49Å; Y168-W172 WeakPolarHBondContact O-CB 3.24Å; Y168-W172 PolarHBondContact O-N 2.8Å; S169-W172 PolarHBondContact O-N 3.43Å; A170-W172 VanDerWaalsContact C-N 3.32Å; A170-W172 PolarHBondContact O-N 3.28Å; W172-L175 PolarHBondContact O-N 2.89Å; W172-S176 WeakPolarHBondContact CH2-OG 3.47Å; W172-S176 WeakPolarHBondContact CZ3-OG 3.43Å; W172-S176 WeakPolarHBondContact O-CB 3.47Å; W172-S176 PolarHBondContact O-N 3.03Å; W172-S176 PolarHBondContact O-OG 3.42Å; W172-L324 HydrophobicContact CH2-CD2 4.24Å; W172-L324 WeakPolarHBondContact CZ2-O 3.45Å; W172-P327 HydrophobicContact CD2-CB 4.23Å; W172-P327 HydrophobicContact CG-CB 3.96Å
173M95.6Very high95.6Very high19 Ų1926.1 Ų26.19%0.09414%0.141CC..Hα-helixtrans-62.9-43.6176.8-72.4-178179.300112.4L150 Y151 E154 S169 A170 L175 S176 L177L150-M173 HydrophobicContact CB-CE 4.2Å; L150-M173 HydrophobicContact CB-SD 4.44Å; Y151-M173 HydrophobicContact CD2-CB 4.34Å; E154-M173 HydrophobicContact CB-CE 4.38Å; E154-M173 WeakPolarHBondContact OE2-CE 3.21Å; S169-M173 WeakPolarHBondContact O-CG 3.32Å; S169-M173 PolarHBondContact O-N 3.27Å; A170-M173 PolarHBondContact O-N 2.74Å; M173-L175 PolarHBondContact O-N 3.26Å; M173-S176 WeakPolarHBondContact O-CB 3.43Å; M173-S176 PolarHBondContact O-N 3.37Å; M173-L177 WeakPolarHBondContact O-CB 3.43Å; M173-L177 PolarHBondContact O-N 2.87Å
174C97.6Very high95.7Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-58.2-47.3176.3-740000111.9F97 I162 A170 S171 L177 L178 Y238F97-C174 HydrophobicContact CE1-CB 4.1Å; F97-C174 HydrophobicContact CZ-CB 4.39Å; I162-C174 HydrophobicContact CD1-CB 3.34Å; A170-C174 WeakPolarHBondContact O-CB 3.08Å; A170-C174 PolarHBondContact O-N 3.4Å; A170-C174 PolarHBondContact O-SG 3.25Å; S171-C174 PolarHBondContact O-N 3.05Å; C174-L177 PolarHBondContact O-N 2.81Å; C174-L178 WeakPolarHBondContact O-CB 3.33Å; C174-L178 PolarHBondContact O-N 3.05Å; C174-Y238 WeakPolarHBondContact CB-OH 3.31Å
175L98.2Very high96Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-70.6-32.8176.9-69.2-167.9000112.7I162 F164 S171 W172 M173 L177 L178 G179 Y261 P327 A330 W334I162-L175 HydrophobicContact CD1-CD2 4.15Å; I162-L175 HydrophobicContact CD1-CG 4.31Å; I162-L175 HydrophobicContact CG1-CD2 4.22Å; I162-L175 HydrophobicContact CG2-CD1 4.31Å; I162-L175 HydrophobicContact CG2-CD2 4.45Å; I162-L175 HydrophobicContact CG2-CG 4.29Å; F164-L175 HydrophobicContact CE2-CD1 4.01Å; F164-L175 HydrophobicContact CZ-CD1 3.62Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 3.42Å; W172-L175 PolarHBondContact O-N 2.89Å; M173-L175 PolarHBondContact O-N 3.26Å; L175-L177 VanDerWaalsContact C-N 3.34Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L175-G179 WeakPolarHBondContact O-CA 3.22Å; L175-G179 PolarHBondContact O-N 3.17Å; L175-Y261 HydrophobicContact CB-CE1 4Å; L175-Y261 HydrophobicContact CB-CE2 4.24Å; L175-Y261 HydrophobicContact CD1-CD2 4.27Å; L175-Y261 HydrophobicContact CD1-CE2 4.15Å; L175-Y261 HydrophobicContact CD2-CD1 3.98Å; L175-Y261 HydrophobicContact CD2-CE1 4.13Å; L175-Y261 HydrophobicContact CD2-CG 4.25Å; L175-Y261 WeakPolarHBondContact O-CE1 3.26Å; L175-Y261 VanDerWaalsContact O-CZ 3.29Å; L175-Y261 PolarHBondContact O-OH 3.35Å; L175-P327 HydrophobicContact CB-CB 3.99Å; L175-P327 HydrophobicContact CB-CG 4.19Å; L175-A330 HydrophobicContact CD1-CB 3.69Å; L175-W334 HydrophobicContact CD1-CE3 4.18Å; L175-W334 HydrophobicContact CD1-CH2 4.24Å; L175-W334 HydrophobicContact CD1-CZ3 3.67Å; L175-W334 HydrophobicContact CD2-CH2 4.02Å; L175-W334 HydrophobicContact CD2-CZ3 4.16Å
176S97.9Very high96.4Very high0 Ų021.6 Ų21.60%010%0.101CC..Hα-helixtrans-60.5-47.3174.6-59.20000110.7W172 M173 G179 A180 A323 P327W172-S176 WeakPolarHBondContact CH2-OG 3.47Å; W172-S176 WeakPolarHBondContact CZ3-OG 3.43Å; W172-S176 WeakPolarHBondContact O-CB 3.47Å; W172-S176 PolarHBondContact O-N 3.03Å; W172-S176 PolarHBondContact O-OG 3.42Å; M173-S176 WeakPolarHBondContact O-CB 3.43Å; M173-S176 PolarHBondContact O-N 3.37Å; S176-G179 PolarHBondContact O-N 2.64Å; S176-A180 PolarHBondContact O-N 3.25Å; S176-A323 WeakPolarHBondContact CB-O 3.45Å; S176-A323 WeakPolarHBondContact O-CB 3.39Å; S176-A323 PolarHBondContact OG-O 2.86Å; S176-A323 VanDerWaalsContact OG-O 3.07Å; S176-P327 VanDerWaalsContact OG-CG 3.32Å; S176-P327 WeakPolarHBondContact OG-CG 3.33Å
177L98.3Very high96.7Very high1 Ų116 Ų161%0.0058%0.077CC..Hα-helixtrans-65.7-47.7179.7-175.6153.9000111.2F97 P144 L147 A148 M173 C174 L175 G179 A180 L181F97-L177 HydrophobicContact CB-CD1 4.05Å; F97-L177 HydrophobicContact CB-CD2 3.68Å; F97-L177 HydrophobicContact CD1-CD1 4.03Å; F97-L177 HydrophobicContact CD1-CD2 3.64Å; F97-L177 HydrophobicContact CD1-CG 4.34Å; F97-L177 HydrophobicContact CD2-CD1 3.37Å; F97-L177 HydrophobicContact CD2-CD2 4.35Å; F97-L177 HydrophobicContact CD2-CG 4.47Å; F97-L177 HydrophobicContact CE1-CD1 4.33Å; F97-L177 HydrophobicContact CE1-CD2 4.37Å; F97-L177 HydrophobicContact CE2-CD1 3.73Å; F97-L177 HydrophobicContact CG-CD1 3.55Å; F97-L177 HydrophobicContact CG-CD2 3.63Å; F97-L177 HydrophobicContact CG-CG 4.22Å; F97-L177 HydrophobicContact CZ-CD1 4.2Å; P144-L177 HydrophobicContact CB-CD1 4.49Å; P144-L177 HydrophobicContact CB-CG 4.01Å; P144-L177 WeakPolarHBondContact O-CD1 3.15Å; L147-L177 HydrophobicContact CB-CB 4.24Å; L147-L177 HydrophobicContact CB-CD1 4.34Å; L147-L177 HydrophobicContact CD1-CB 4.26Å; A148-L177 HydrophobicContact CB-CD1 3.9Å; M173-L177 WeakPolarHBondContact O-CB 3.43Å; M173-L177 PolarHBondContact O-N 2.87Å; C174-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact C-N 3.34Å; L177-G179 VanDerWaalsContact C-N 3.26Å; L177-G179 PolarHBondContact O-N 3.05Å; L177-A180 PolarHBondContact O-N 2.98Å; L177-L181 HydrophobicContact CD2-CD1 3.69Å; L177-L181 HydrophobicContact CD2-CG 4.4Å; L177-L181 PolarHBondContact O-N 3.25Å; L177-L181 VanDerWaalsContact O-N 3.08Å
178L98.6Very high96.9Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-59-41.8175175.160.1000111.1A100 C174 L175 L181 A182 V234 Y238 V258 Y261A100-L178 HydrophobicContact CB-CD1 4.37Å; C174-L178 WeakPolarHBondContact O-CB 3.33Å; C174-L178 PolarHBondContact O-N 3.05Å; L175-L178 HydrophobicContact CD2-CD2 4.44Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.44Å; L178-V234 HydrophobicContact CD1-CG1 3.7Å; L178-Y238 HydrophobicContact CB-CD2 4.41Å; L178-Y238 HydrophobicContact CD1-CD2 4.28Å; L178-Y238 HydrophobicContact CD2-CD2 4.4Å; L178-Y238 HydrophobicContact CD2-CG 4.36Å; L178-V258 HydrophobicContact CD2-CG1 3.47Å; L178-V258 VanDerWaalsContact CD2-CG1 3.47Å; L178-Y261 HydrophobicContact CB-CE1 4.4Å; L178-Y261 HydrophobicContact CD2-CD1 3.88Å; L178-Y261 HydrophobicContact CD2-CE1 4.35Å; L178-Y261 HydrophobicContact CG-CD1 4.2Å; L178-Y261 HydrophobicContact CG-CE1 4.29Å
179G98.6Very high97.1Very high0 Ų09.8 Ų9.80%05%0.051CC..Hα-helixtrans-62.3-44.7179.200000112.2L175 S176 L177 A182 C183L175-G179 WeakPolarHBondContact O-CA 3.22Å; L175-G179 PolarHBondContact O-N 3.17Å; S176-G179 PolarHBondContact O-N 2.64Å; L177-G179 VanDerWaalsContact C-N 3.26Å; L177-G179 PolarHBondContact O-N 3.05Å; G179-A182 PolarHBondContact O-N 2.96Å; G179-C183 VanDerWaalsContact O-CB 3.26Å; G179-C183 WeakPolarHBondContact O-CB 3.28Å; G179-C183 PolarHBondContact O-N 3.06Å
180A98.3Very high97.3Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-60.9-4817500000112.1V143 P144 S176 L177 A182 C183 S184 A323V143-A180 HydrophobicContact CB-CB 4.44Å; V143-A180 HydrophobicContact CG1-CB 3.98Å; P144-A180 HydrophobicContact CG-CB 3.91Å; S176-A180 PolarHBondContact O-N 3.25Å; L177-A180 PolarHBondContact O-N 2.98Å; A180-A182 PolarHBondContact O-N 3.49Å; A180-C183 WeakPolarHBondContact O-CB 3.11Å; A180-C183 PolarHBondContact O-N 3.46Å; A180-S184 PolarHBondContact O-N 3.01Å; A180-S184 VanDerWaalsContact O-N 3.16Å; A180-A323 HydrophobicContact CB-CB 4.24Å
181L98.6Very high97.3Very high0 Ų09.7 Ų9.70%05%0.051CC..Hα-helixtrans-64.9-40.4177.8-70.8176.6000112.2L90 A100 L101 F104 P144 L177 L178 S184 A185 V234L90-L181 HydrophobicContact CD2-CD1 4.35Å; A100-L181 HydrophobicContact CB-CD1 3.8Å; L101-L181 HydrophobicContact CB-CD1 4.26Å; L101-L181 HydrophobicContact CD1-CD2 3.87Å; F104-L181 HydrophobicContact CD1-CD2 4.49Å; P144-L181 HydrophobicContact CB-CD2 4.03Å; P144-L181 HydrophobicContact CB-CG 4.1Å; P144-L181 HydrophobicContact CG-CD2 3.58Å; P144-L181 HydrophobicContact CG-CG 3.76Å; L177-L181 HydrophobicContact CD2-CD1 3.69Å; L177-L181 HydrophobicContact CD2-CG 4.4Å; L177-L181 PolarHBondContact O-N 3.25Å; L177-L181 VanDerWaalsContact O-N 3.08Å; L178-L181 PolarHBondContact O-N 3.47Å; L181-S184 PolarHBondContact O-N 3.2Å; L181-A185 WeakPolarHBondContact O-CB 3.36Å; L181-A185 PolarHBondContact O-N 2.89Å; L181-V234 HydrophobicContact CB-CG1 4.15Å
182A98.7Very high97.2Very high0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-66.8-37.7177.500000111.8L178 G179 A180 A185 G186 G262 A265 G266L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.44Å; G179-A182 PolarHBondContact O-N 2.96Å; A180-A182 PolarHBondContact O-N 3.49Å; A182-A185 PolarHBondContact O-N 3.12Å; A182-G186 PolarHBondContact O-N 3.44Å; A182-G262 WeakPolarHBondContact CB-O 3.13Å; A182-A265 HydrophobicContact CB-CB 3.8Å; A182-G266 WeakPolarHBondContact O-CA 3.12Å
183C98.4Very high97.1Very high1 Ų18.7 Ų8.71%0.0075%0.05CC..Hα-helixtrans-56.3-55.7172175.10000110.8G179 A180 A185 G186 D187 G269 V322G179-C183 VanDerWaalsContact O-CB 3.26Å; G179-C183 WeakPolarHBondContact O-CB 3.28Å; G179-C183 PolarHBondContact O-N 3.06Å; A180-C183 WeakPolarHBondContact O-CB 3.11Å; A180-C183 PolarHBondContact O-N 3.46Å; C183-A185 VanDerWaalsContact C-N 3.31Å; C183-A185 PolarHBondContact O-N 2.86Å; C183-G186 PolarHBondContact O-N 2.92Å; C183-D187 PolarHBondContact O-N 3.46Å; C183-G269 WeakPolarHBondContact SG-CA 3.19Å; C183-V322 HydrophobicContact CB-CB 4.3Å; C183-V322 HydrophobicContact CB-CG1 4.37Å; C183-V322 HydrophobicContact CB-CG2 4.2Å
184S97.6Very high97Very high0 Ų07.9 Ų7.90%05%0.047CC..Hα-helixtrans-61.7-37.4177.9-63.40000112.8N140 A180 L181 T188N140-S184 WeakPolarHBondContact OD1-CB 3.42Å; N140-S184 PolarHBondContact OD1-OG 2.72Å; A180-S184 PolarHBondContact O-N 3.01Å; A180-S184 VanDerWaalsContact O-N 3.16Å; L181-S184 PolarHBondContact O-N 3.2Å; S184-T188 WeakPolarHBondContact O-CB 3.45Å; S184-T188 PolarHBondContact O-N 3.13Å; S184-T188 VanDerWaalsContact O-N 3.08Å; S184-T188 PolarHBondContact O-OG1 3.32Å
185A98.3Very high96.6Very high0 Ų010 Ų100%06%0.061CC..Hα-helixtrans-66-43.1174.700000112F104 L181 A182 C183 T188 W189 V234F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 VanDerWaalsContact CD2-CA 3.43Å; F104-A185 HydrophobicContact CD2-CB 3.5Å; F104-A185 HydrophobicContact CE2-CB 4.2Å; F104-A185 HydrophobicContact CG-CB 4.1Å; L181-A185 WeakPolarHBondContact O-CB 3.36Å; L181-A185 PolarHBondContact O-N 2.89Å; A182-A185 PolarHBondContact O-N 3.12Å; C183-A185 VanDerWaalsContact C-N 3.31Å; C183-A185 PolarHBondContact O-N 2.86Å; A185-T188 PolarHBondContact O-N 3.3Å; A185-W189 WeakPolarHBondContact O-CB 3.31Å; A185-W189 PolarHBondContact O-N 3.1Å; A185-V234 HydrophobicContact CB-CG2 3.58Å
186G97.9Very high96.2Very high0 Ų010.8 Ų10.80%07%0.065CC..Hα-helixtrans-63.3-43.9179.400000112.3A182 C183 W189 A190 S227A182-G186 PolarHBondContact O-N 3.44Å; C183-G186 PolarHBondContact O-N 2.92Å; G186-W189 PolarHBondContact O-N 2.96Å; G186-A190 WeakPolarHBondContact O-CB 3.4Å; G186-A190 PolarHBondContact O-N 3.36Å; G186-S227 WeakPolarHBondContact CA-O 3.27Å; G186-S227 VanDerWaalsContact O-CA 3.31Å; G186-S227 WeakPolarHBondContact O-CA 3.23Å; G186-S227 WeakPolarHBondContact O-CB 3.41Å; G186-S227 PolarHBondContact O-OG 3.14Å
187D96.4Very high95.9Very high17 Ų1715 Ų159%0.0919%0.087CC..Hα-helixtrans-62.5-47.6174.3178.861.4000111.7C183 W189 A190 S191 N315C183-D187 PolarHBondContact O-N 3.46Å; D187-W189 VanDerWaalsContact C-N 3.33Å; D187-W189 PolarHBondContact O-N 3.38Å; D187-A190 PolarHBondContact O-N 2.62Å; D187-S191 WeakPolarHBondContact O-CB 3.43Å; D187-S191 PolarHBondContact O-N 3.01Å; D187-S191 PolarHBondContact O-OG 3.29Å; D187-N315 PolarHBondContact OD2-OD1 3.28Å
188T95.5Very high95.4Very high16 Ų1615.9 Ų15.910%0.0989%0.094CC..Hα-helixtrans-62.7-41.2179.4-540000111.4S184 A185 S191 E192S184-T188 WeakPolarHBondContact O-CB 3.45Å; S184-T188 PolarHBondContact O-N 3.13Å; S184-T188 VanDerWaalsContact O-N 3.08Å; S184-T188 PolarHBondContact O-OG1 3.32Å; A185-T188 PolarHBondContact O-N 3.3Å; T188-S191 PolarHBondContact O-N 3.13Å; T188-S191 PolarHBondContact O-OG 2.77Å; T188-E192 HydrophobicContact CG2-CG 4.04Å; T188-E192 VanDerWaalsContact O-CB 3.3Å; T188-E192 WeakPolarHBondContact O-CB 3.36Å; T188-E192 WeakPolarHBondContact O-CG 3.47Å; T188-E192 PolarHBondContact O-N 3.41Å
189W97.6Very high94.7Very high33 Ų3324.7 Ų24.713%0.12513%0.134CC..Hα-helixtrans-67.7-41.1177.4-79.949.3000112.1T107 L111 A185 G186 D187 V193 A226 L229 G230 T233T107-W189 HydrophobicContact CG2-CZ2 4.02Å; T107-W189 PolarHBondContact OG1-NE1 3.47Å; L111-W189 HydrophobicContact CD1-CB 4.25Å; L111-W189 HydrophobicContact CD1-CD2 3.42Å; L111-W189 VanDerWaalsContact CD1-CD2 3.42Å; L111-W189 HydrophobicContact CD1-CE3 4Å; L111-W189 HydrophobicContact CD1-CG 3.51Å; L111-W189 HydrophobicContact CD1-CZ2 4.34Å; A185-W189 WeakPolarHBondContact O-CB 3.31Å; A185-W189 PolarHBondContact O-N 3.1Å; G186-W189 PolarHBondContact O-N 2.96Å; D187-W189 VanDerWaalsContact C-N 3.33Å; D187-W189 PolarHBondContact O-N 3.38Å; W189-V193 WeakPolarHBondContact O-CB 3.44Å; W189-V193 VanDerWaalsContact O-CG2 3.26Å; W189-V193 WeakPolarHBondContact O-CG2 3.38Å; W189-V193 PolarHBondContact O-N 3.19Å; W189-A226 HydrophobicContact CB-CB 4.35Å; W189-A226 WeakPolarHBondContact CB-O 3.4Å; W189-L229 HydrophobicContact CE3-CB 4.18Å; W189-L229 HydrophobicContact CZ3-CB 3.87Å; W189-G230 VanDerWaalsContact CE2-CA 3.49Å; W189-G230 VanDerWaalsContact CE3-CA 3.48Å; W189-T233 HydrophobicContact CH2-CG2 4.33Å; W189-T233 WeakPolarHBondContact CH2-OG1 3.38Å; W189-T233 HydrophobicContact CZ2-CG2 4.09Å
190A96.2Very high94Very high18 Ų1827.8 Ų27.815%0.14916%0.156CC..Hα-helixtrans-58.5-50173.900000111.7G186 D187 E192 G194 G223 S227G186-A190 WeakPolarHBondContact O-CB 3.4Å; G186-A190 PolarHBondContact O-N 3.36Å; D187-A190 PolarHBondContact O-N 2.62Å; A190-E192 VanDerWaalsContact C-N 3.33Å; A190-E192 PolarHBondContact O-N 3.02Å; A190-G194 VanDerWaalsContact O-CA 3.3Å; A190-G194 WeakPolarHBondContact O-CA 3.34Å; A190-G194 PolarHBondContact O-N 2.86Å; A190-G223 WeakPolarHBondContact CB-O 3.26Å; A190-S227 WeakPolarHBondContact CB-OG 3.25Å
191S92.9Very high93.6Very high40 Ų4032.7 Ų32.728%0.2818%0.179SC..Hα-helixtrans-72.2-25.2-174.162.50000112.9K119 D187 T188 P195K119-S191 WeakPolarHBondContact CE-O 3.28Å; K119-S191 PolarHBondContact NZ-O 2.91Å; D187-S191 WeakPolarHBondContact O-CB 3.43Å; D187-S191 PolarHBondContact O-N 3.01Å; D187-S191 PolarHBondContact O-OG 3.29Å; T188-S191 PolarHBondContact O-N 3.13Å; T188-S191 PolarHBondContact O-OG 2.77Å; S191-P195 WeakPolarHBondContact O-CD 3.43Å; S191-P195 VanDerWaalsContact O-CG 3.26Å; S191-P195 WeakPolarHBondContact O-CG 3.41Å
192E93.9Very high93.4Very high21 Ų2133.6 Ų33.610%0.09819%0.185CC..Hα-helixtrans-90.6-39.6176.6-62.4-68.6-16800113.2L111 T112 K119 T188 A190 V196L111-E192 HydrophobicContact CB-CB 3.96Å; L111-E192 HydrophobicContact CB-CG 4.45Å; T112-E192 VanDerWaalsContact CA-CD 3.48Å; T112-E192 WeakPolarHBondContact CA-OE1 3.5Å; T112-E192 VanDerWaalsContact CB-OE1 3.26Å; T112-E192 WeakPolarHBondContact CB-OE1 3.29Å; T112-E192 WeakPolarHBondContact CG2-OE1 3.32Å; T112-E192 PolarHBondContact OG1-OE1 2.72Å; K119-E192 WeakPolarHBondContact CE-OE2 3.48Å; T188-E192 HydrophobicContact CG2-CG 4.04Å; T188-E192 VanDerWaalsContact O-CB 3.3Å; T188-E192 WeakPolarHBondContact O-CB 3.36Å; T188-E192 WeakPolarHBondContact O-CG 3.47Å; T188-E192 PolarHBondContact O-N 3.41Å; A190-E192 VanDerWaalsContact C-N 3.33Å; A190-E192 PolarHBondContact O-N 3.02Å; E192-V196 WeakPolarHBondContact O-CG2 3.11Å
193V94.9Very high93.3Very high16 Ų1637.9 Ų37.910%0.09720%0.201CC..Hα-helixtrans-84.6-40.9-177.6-179.20000111.7L111 W114 W189 V196 L197 V222 A226L111-V193 HydrophobicContact CD1-CG2 3.95Å; L111-V193 HydrophobicContact CD2-CG2 3.92Å; L111-V193 HydrophobicContact CG-CG2 4.49Å; W114-V193 HydrophobicContact CZ3-CG2 4.47Å; W189-V193 WeakPolarHBondContact O-CB 3.44Å; W189-V193 VanDerWaalsContact O-CG2 3.26Å; W189-V193 WeakPolarHBondContact O-CG2 3.38Å; W189-V193 PolarHBondContact O-N 3.19Å; V193-V196 PolarHBondContact O-N 3.02Å; V193-V196 VanDerWaalsContact O-N 3.09Å; V193-L197 HydrophobicContact CG1-CB 4.41Å; V193-L197 HydrophobicContact CG1-CD1 3.58Å; V193-L197 HydrophobicContact CG1-CG 4.08Å; V193-L197 PolarHBondContact O-N 3.35Å; V193-V222 HydrophobicContact CG1-CG1 4.18Å; V193-A226 HydrophobicContact CB-CB 3.69Å; V193-A226 HydrophobicContact CG1-CB 3.93Å; V193-A226 HydrophobicContact CG2-CB 4.07Å
194G92.6Very high93.2Very high3 Ų338.3 Ų38.33%0.03120%0.204CC..Hα-helixtrans-53.1-56.9-176.600000112.6A190 V196 S198A190-G194 VanDerWaalsContact O-CA 3.3Å; A190-G194 WeakPolarHBondContact O-CA 3.34Å; A190-G194 PolarHBondContact O-N 2.86Å; G194-V196 PolarHBondContact O-N 3.35Å; G194-S198 WeakPolarHBondContact O-CA 3.2Å; G194-S198 WeakPolarHBondContact O-CB 3.45Å; G194-S198 PolarHBondContact O-N 3.49Å
195P89Confident93.1Very high45 Ų4540.1 Ų40.129%0.29221%0.213SC..Hα-helixtrans-66.8-19.1-179.5-21.333.6000114.6I122 S191I122-P195 HydrophobicContact CD1-CB 3.33Å; I122-P195 HydrophobicContact CD1-CG 4.07Å; S191-P195 WeakPolarHBondContact O-CD 3.43Å; S191-P195 VanDerWaalsContact O-CG 3.26Å; S191-P195 WeakPolarHBondContact O-CG 3.41Å
196V89.5Confident93Very high15 Ų1542.9 Ų42.99%0.09123%0.23CC..Hα-helixtrans-88.6-41.5-177.4178.60000111.9W114 K118 E192 V193 G194W114-V196 HydrophobicContact CE3-CG1 4.26Å; W114-V196 HydrophobicContact CH2-CB 3.78Å; W114-V196 HydrophobicContact CH2-CG1 3.25Å; W114-V196 HydrophobicContact CZ2-CG1 3.59Å; W114-V196 HydrophobicContact CZ3-CB 3.75Å; W114-V196 HydrophobicContact CZ3-CG1 3.59Å; W114-V196 HydrophobicContact CZ3-CG2 4.1Å; K118-V196 HydrophobicContact CB-CG2 4.26Å; K118-V196 HydrophobicContact CD-CB 4.28Å; K118-V196 HydrophobicContact CD-CG1 4.1Å; K118-V196 HydrophobicContact CD-CG2 4.34Å; K118-V196 PolarHBondContact NZ-O 3.15Å; E192-V196 WeakPolarHBondContact O-CG2 3.11Å; V193-V196 PolarHBondContact O-N 3.02Å; V193-V196 VanDerWaalsContact O-N 3.09Å; G194-V196 PolarHBondContact O-N 3.35Å
197L91.3Very high92.8Very high89 Ų8946.4 Ų46.447%0.46625%0.251SS..Hα-helixtrans-105.6-20.8-174.2-62.2-175.9000114.1W114 V193 Q199 V222W114-L197 HydrophobicContact CH2-CD1 3.99Å; W114-L197 HydrophobicContact CH2-CD2 3.73Å; W114-L197 HydrophobicContact CH2-CG 3.69Å; W114-L197 HydrophobicContact CZ2-CD2 3.94Å; W114-L197 HydrophobicContact CZ2-CG 4.39Å; V193-L197 HydrophobicContact CG1-CB 4.41Å; V193-L197 HydrophobicContact CG1-CD1 3.58Å; V193-L197 HydrophobicContact CG1-CG 4.08Å; V193-L197 PolarHBondContact O-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.32Å; L197-V222 HydrophobicContact CB-CG1 3.82Å
198S88.7Confident92.7Very high20 Ų2052.4 Ų52.414%0.1427%0.273CS..  trans-67.9123.4178.2-1680000110.3G194 S200 T220G194-S198 WeakPolarHBondContact O-CA 3.2Å; G194-S198 WeakPolarHBondContact O-CB 3.45Å; G194-S198 PolarHBondContact O-N 3.49Å; S198-S200 PolarHBondContact OG-N 3.24Å; S198-S200 PolarHBondContact OG-O 2.93Å; S198-S200 PolarHBondContact OG-OG 3.13Å; S198-T220 WeakPolarHBondContact OG-CG2 3.13Å
199Q83.5Confident92.7Very high184 Ų18458.6 Ų58.686%0.8630%0.298SS*.  trans-87.5-18.7170.5-61.4-65.4-27.900111.6L197L197-Q199 PolarHBondContact O-N 3.32Å
200S85Confident92.6Very high65 Ų6562.9 Ų62.946%0.45532%0.32SS..SBendtrans-91.6148.7176.552.30000111.7S198S198-S200 PolarHBondContact OG-N 3.24Å; S198-S200 PolarHBondContact OG-O 2.93Å; S198-S200 PolarHBondContact OG-OG 3.13Å
201Q90.1Very high92.5Very high103 Ų10362.6 Ų62.648%0.48132%0.316SS..PPolyproline II helixtrans-62.3139.7170.8-70.7-69.2-6.600110.2E210Q201-E210 HydrophobicContact CB-CB 4.29Å; Q201-E210 HydrophobicContact CB-CG 4.35Å
202P94.1Very high92.5Very high19 Ų1963 Ų6312%0.12332%0.318CS..PPolyproline II helixtrans-57.2147.3172-22.233.5000111.8E210 V211 A213 T220P202-E210 WeakPolarHBondContact O-CA 3.32Å; P202-V211 HydrophobicContact CB-CG2 4.26Å; P202-V211 PolarHBondContact O-N 3.03Å; P202-A213 HydrophobicContact CG-CB 4.46Å; P202-T220 HydrophobicContact CB-CG2 4.01Å; P202-T220 HydrophobicContact CG-CG2 3.96Å
203R96.3Very high92.2Very high90 Ų9063.7 Ų63.734%0.3433%0.327SS..EExtended strand (participates in β ladder)trans-112.4133.3174.3-68.9-179.1173.8-127.4-7.2109.4I205 W208 K209 E210 V219R203-I205 PolarHBondContact O-N 3.04Å; R203-W208 HydrophobicContact CB-CD2 4.2Å; R203-W208 HydrophobicContact CB-CE3 4.08Å; R203-W208 HydrophobicContact CB-CZ3 4.34Å; R203-K209 CarbonylContact C-O 3.27Å; R203-K209 VanDerWaalsContact CA-O 3.29Å; R203-K209 WeakPolarHBondContact CA-O 3.46Å; R203-E210 HydrophobicContact CG-CG 4.08Å; R203-E210 IonicContact CZ-OE1 3.72Å; R203-E210 IonicContact NE-OE1 3.85Å; R203-E210 IonicContact NH2-OE1 2.89Å; R203-E210 PolarHBondContact NH2-OE1 2.98Å; R203-V219 PolarHBondContact N-O 2.88Å; R203-V219 WeakPolarHBondContact O-CG2 3.29Å; R203-V219 PolarHBondContact O-N 2.86Å
204L96.4Very high91.8Very high11 Ų1165.2 Ų65.26%0.05835%0.346CS..EExtended strand (participates in β ladder)trans-64.5125.6177.1-169.766.5000109.4T206 T207 W208 K209 V211 T215 A278 C304L204-T206 WeakPolarHBondContact CD2-OG1 3.44Å; L204-T206 WeakPolarHBondContact CG-OG1 3.38Å; L204-T206 PolarHBondContact O-N 2.93Å; L204-T206 VanDerWaalsContact O-N 3.09Å; L204-T207 HydrophobicContact CD2-CG2 4.32Å; L204-T207 PolarHBondContact O-N 2.89Å; L204-W208 VanDerWaalsContact O-CA 3.23Å; L204-W208 WeakPolarHBondContact O-CA 3.47Å; L204-W208 PolarHBondContact O-N 3.46Å; L204-K209 PolarHBondContact N-O 2.78Å; L204-V211 HydrophobicContact CB-CG1 3.92Å; L204-V211 HydrophobicContact CB-CG2 4.39Å; L204-T215 HydrophobicContact CD1-CG2 4.38Å; L204-A278 HydrophobicContact CD1-CB 3.92Å; L204-C304 HydrophobicContact CD1-CB 4.33Å; L204-C304 HydrophobicContact CD2-CB 4.04Å
205I96.2Very high91.8Very high37 Ų3765.5 Ų65.519%0.1935%0.347CS..THydrogen-bonded Turntrans-59.4-27-173.4-165.4170.1000113.4R203 G217 V219 M271 S274 L275 A278R203-I205 PolarHBondContact O-N 3.04Å; I205-G217 PolarHBondContact N-O 3.09Å; I205-V219 HydrophobicContact CB-CG1 4.3Å; I205-V219 HydrophobicContact CB-CG2 4.3Å; I205-V219 HydrophobicContact CD1-CG1 4.3Å; I205-M271 HydrophobicContact CD1-CB 4.19Å; I205-M271 HydrophobicContact CD1-CG 4.49Å; I205-M271 WeakPolarHBondContact CD1-O 3.13Å; I205-S274 WeakPolarHBondContact CG2-O 3.36Å; I205-L275 HydrophobicContact CG2-CB 4.49Å; I205-A278 HydrophobicContact CG2-CB 4.18Å
206T94.7Very high92Very high59 Ų5965.4 Ų65.436%0.36234%0.344SS..THydrogen-bonded Turntrans-84.8-37.1-176.653.90000113.9L204 L275 A278 H279L204-T206 WeakPolarHBondContact CD2-OG1 3.44Å; L204-T206 WeakPolarHBondContact CG-OG1 3.38Å; L204-T206 PolarHBondContact O-N 2.93Å; L204-T206 VanDerWaalsContact O-N 3.09Å; T206-L275 HydrophobicContact CG2-CD1 4.21Å; T206-A278 HydrophobicContact CG2-CB 3.71Å; T206-H279 WeakPolarHBondContact CG2-CE1 3.3Å
207T94.2Very high92.1Very high74 Ų7465 Ų6545%0.45434%0.343SS..THydrogen-bonded Turntrans-114.4-8.7-17567.40000113.8L204 K209L204-T207 HydrophobicContact CD2-CG2 4.32Å; L204-T207 PolarHBondContact O-N 2.89Å; T207-K209 PolarHBondContact O-N 2.82Å; T207-K209 VanDerWaalsContact O-N 3.09Å; T207-K209 PolarHBondContact OG1-N 3.11Å
208W94.7Very high92.2Very high142 Ų14262 Ų6254%0.53833%0.334SS..  trans56.520.5-174.7-151.3-120.5000115.4R203 L204 V219R203-W208 HydrophobicContact CB-CD2 4.2Å; R203-W208 HydrophobicContact CB-CE3 4.08Å; R203-W208 HydrophobicContact CB-CZ3 4.34Å; L204-W208 VanDerWaalsContact O-CA 3.23Å; L204-W208 WeakPolarHBondContact O-CA 3.47Å; L204-W208 PolarHBondContact O-N 3.46Å; W208-V219 HydrophobicContact CH2-CG2 4.38Å; W208-V219 HydrophobicContact CZ3-CG2 3.75Å
209K94.9Very high92.6Very high147 Ų14761.6 Ų61.664%0.63933%0.33SS*.  trans-88.5146.8177.5-67.1-177.2179.8-179.80109.8R203 L204 T207R203-K209 CarbonylContact C-O 3.27Å; R203-K209 VanDerWaalsContact CA-O 3.29Å; R203-K209 WeakPolarHBondContact CA-O 3.46Å; L204-K209 PolarHBondContact N-O 2.78Å; T207-K209 PolarHBondContact O-N 2.82Å; T207-K209 VanDerWaalsContact O-N 3.09Å; T207-K209 PolarHBondContact OG1-N 3.11Å
210E96Very high93.2Very high122 Ų12253.4 Ų53.457%0.5729%0.293SS*.BIsolated β-bridgetrans-66.8133.8176.1-67.4179.2-177.100110.5Q201 P202 R203Q201-E210 HydrophobicContact CB-CB 4.29Å; Q201-E210 HydrophobicContact CB-CG 4.35Å; P202-E210 WeakPolarHBondContact O-CA 3.32Å; R203-E210 HydrophobicContact CG-CG 4.08Å; R203-E210 IonicContact CZ-OE1 3.72Å; R203-E210 IonicContact NE-OE1 3.85Å; R203-E210 IonicContact NH2-OE1 2.89Å; R203-E210 PolarHBondContact NH2-OE1 2.98Å
211V94.2Very high93.7Very high13 Ų1354.6 Ų54.68%0.07930%0.299CS..  trans-132.3151.8-178.9-680000110.1P202 L204 T215 I303P202-V211 HydrophobicContact CB-CG2 4.26Å; P202-V211 PolarHBondContact O-N 3.03Å; L204-V211 HydrophobicContact CB-CG1 3.92Å; L204-V211 HydrophobicContact CB-CG2 4.39Å; V211-T215 HydrophobicContact CB-CG2 4.1Å; V211-T215 HydrophobicContact CG1-CG2 4.45Å; V211-T215 HydrophobicContact CG2-CG2 4.02Å; V211-I303 HydrophobicContact CB-CG2 4.46Å; V211-I303 HydrophobicContact CG1-CG2 3.98Å
212P91.6Very high94.1Very high48 Ų4852.2 Ų52.231%0.31229%0.291SS..  trans-57146.7176.4-23.133.2000112.4G214 T215 F285 V292 I303P212-G214 PolarHBondContact O-N 3.37Å; P212-T215 WeakPolarHBondContact O-CB 3.18Å; P212-T215 PolarHBondContact O-N 2.71Å; P212-T215 PolarHBondContact O-OG1 3.17Å; P212-F285 HydrophobicContact CB-CD2 4.26Å; P212-F285 HydrophobicContact CG-CD2 4.17Å; P212-V292 HydrophobicContact CB-CG2 3.78Å; P212-I303 HydrophobicContact CG-CD1 4.25Å
213A89.4Confident94.2Very high36 Ų3651.5 Ų51.530%0.29829%0.288SS..THydrogen-bonded Turntrans-57.5136.5173.200000111.5P202 V292P202-A213 HydrophobicContact CG-CB 4.46Å; A213-V292 WeakPolarHBondContact O-CG2 3.27Å
214G85.8Confident94.3Very high47 Ų4749.3 Ų49.349%0.48528%0.282SS..THydrogen-bonded Turntrans94.3-2-173.300000114.5P212 V292P212-G214 PolarHBondContact O-N 3.37Å; G214-V292 WeakPolarHBondContact O-CG1 3.16Å
215T92.1Very high94.3Very high10 Ų1051.3 Ų51.36%0.06130%0.301CS..  trans-70.3127.6172.2-55.30000111L204 V211 P212 G217 G218 I303L204-T215 HydrophobicContact CD1-CG2 4.38Å; V211-T215 HydrophobicContact CB-CG2 4.1Å; V211-T215 HydrophobicContact CG1-CG2 4.45Å; V211-T215 HydrophobicContact CG2-CG2 4.02Å; P212-T215 WeakPolarHBondContact O-CB 3.18Å; P212-T215 PolarHBondContact O-N 2.71Å; P212-T215 PolarHBondContact O-OG1 3.17Å; T215-G217 PolarHBondContact O-N 2.88Å; T215-G218 PolarHBondContact O-N 3.32Å; T215-I303 HydrophobicContact CG2-CB 4.42Å; T215-I303 HydrophobicContact CG2-CD1 4.41Å; T215-I303 HydrophobicContact CG2-CG2 3.81Å
216N92.4Very high94.4Very high42 Ų4249.9 Ų49.923%0.22529%0.294CS..THydrogen-bonded Turntrans-61130.2173.7-65.3-35.5000110.1G218 Q281 Y282 S283 C304N216-G218 VanDerWaalsContact C-N 3.32Å; N216-Q281 HydrophobicContact CB-CB 4.12Å; N216-Q281 WeakPolarHBondContact ND2-CB 3.5Å; N216-Y282 PolarHBondContact ND2-O 2.85Å; N216-S283 VanDerWaalsContact CB-OG 3.3Å; N216-S283 WeakPolarHBondContact CB-OG 3.14Å; N216-S283 PolarHBondContact N-OG 2.99Å; N216-S283 PolarHBondContact ND2-OG 3.32Å; N216-S283 VanDerWaalsContact ND2-OG 3.1Å; N216-C304 PolarHBondContact O-SG 2.88Å
217G92.4Very high94.6Very high7 Ų747 Ų477%0.07228%0.277CS..THydrogen-bonded Turntrans79.16.8-174.100000116I205 T215 S274I205-G217 PolarHBondContact N-O 3.09Å; T215-G217 PolarHBondContact O-N 2.88Å; G217-S274 WeakPolarHBondContact CA-O 3.2Å
218G94.3Very high94.8Very high26 Ų2646.7 Ų46.727%0.26827%0.269SS..EExtended strand (participates in β ladder)trans-76.9115.9169.500000111.6T215 N216T215-G218 PolarHBondContact O-N 3.32Å; N216-G218 VanDerWaalsContact C-N 3.32Å
219V96.3Very high95Very high12 Ų1244.6 Ų44.67%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-109.4148.5179.5-62.10000111.9R203 I205 W208 L224 S274R203-V219 PolarHBondContact N-O 2.88Å; R203-V219 WeakPolarHBondContact O-CG2 3.29Å; R203-V219 PolarHBondContact O-N 2.86Å; I205-V219 HydrophobicContact CB-CG1 4.3Å; I205-V219 HydrophobicContact CB-CG2 4.3Å; I205-V219 HydrophobicContact CD1-CG1 4.3Å; W208-V219 HydrophobicContact CH2-CG2 4.38Å; W208-V219 HydrophobicContact CZ3-CG2 3.75Å; V219-L224 HydrophobicContact CB-CD2 4.45Å; V219-L224 HydrophobicContact CG1-CD2 4.48Å; V219-S274 WeakPolarHBondContact CG1-OG 3.18Å
220T96.5Very high95.2Very high12 Ų1237.6 Ų37.67%0.07424%0.238CC..  trans-126.9152.5171.463.70000109.9S198 P202 V222 G223 L224S198-T220 WeakPolarHBondContact OG-CG2 3.13Å; P202-T220 HydrophobicContact CB-CG2 4.01Å; P202-T220 HydrophobicContact CG-CG2 3.96Å; T220-V222 PolarHBondContact O-N 3.22Å; T220-G223 PolarHBondContact O-N 3.3Å; T220-G223 PolarHBondContact OG1-N 2.66Å; T220-L224 WeakPolarHBondContact O-CG 3.35Å; T220-L224 PolarHBondContact O-N 2.92Å
221P96Very high95.3Very high90 Ų9031.8 Ų31.858%0.58421%0.21SC*.Hα-helixtrans-56.7-38.2175.5-25.734.8000112.8L224 A225P221-L224 PolarHBondContact O-N 3.34Å; P221-A225 PolarHBondContact O-N 2.99Å
222V97.1Very high95.5Very high52 Ų5231.8 Ų31.832%0.31521%0.212SC..Hα-helixtrans-66.1-41.6176.2178.80000111.3V193 L197 T220 A225 A226V193-V222 HydrophobicContact CG1-CG1 4.18Å; L197-V222 HydrophobicContact CB-CG1 3.82Å; T220-V222 PolarHBondContact O-N 3.22Å; V222-A225 PolarHBondContact O-N 3.47Å; V222-A226 WeakPolarHBondContact O-CB 3.43Å; V222-A226 PolarHBondContact O-N 2.85Å
223G96.9Very high95.9Very high5 Ų531.5 Ų31.55%0.05221%0.21CC..Hα-helixtrans-61.3-46.1174.600000112.1A190 T220 A225 A226 S227A190-G223 WeakPolarHBondContact CB-O 3.26Å; T220-G223 PolarHBondContact O-N 3.3Å; T220-G223 PolarHBondContact OG1-N 2.66Å; G223-A225 PolarHBondContact O-N 3.26Å; G223-A226 CarbonylContact O-C 3.53Å; G223-A226 WeakPolarHBondContact O-CB 3.44Å; G223-A226 PolarHBondContact O-N 3.24Å; G223-A226 VanDerWaalsContact O-N 3.16Å; G223-S227 PolarHBondContact O-N 2.68Å; G223-S227 PolarHBondContact O-OG 3.41Å
224L97.6Very high96.3Very high43 Ų4329.8 Ų29.823%0.22520%0.195CC..Hα-helixtrans-62.6-43.3178.1-65.7175.7000112.2V219 T220 P221 A226 S227 F228 L267 M271V219-L224 HydrophobicContact CB-CD2 4.45Å; V219-L224 HydrophobicContact CG1-CD2 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.35Å; T220-L224 PolarHBondContact O-N 2.92Å; P221-L224 PolarHBondContact O-N 3.34Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.03Å; L224-S227 WeakPolarHBondContact O-CB 3.35Å; L224-S227 PolarHBondContact O-N 3.43Å; L224-F228 PolarHBondContact O-N 3.01Å; L224-F228 VanDerWaalsContact O-N 3.1Å; L224-L267 HydrophobicContact CB-CD1 3.92Å; L224-L267 HydrophobicContact CD2-CD1 3.94Å; L224-L267 HydrophobicContact CG-CD1 4.48Å; L224-M271 HydrophobicContact CD2-CG 3.79Å; L224-M271 HydrophobicContact CD2-SD 4.46Å
225A98.2Very high96.9Very high54 Ų5427.6 Ų27.645%0.44617%0.172SC..Hα-helixtrans-61.8-42.1173.400000111.5P221 V222 G223 S227 F228 L229P221-A225 PolarHBondContact O-N 2.99Å; V222-A225 PolarHBondContact O-N 3.47Å; G223-A225 PolarHBondContact O-N 3.26Å; A225-S227 VanDerWaalsContact C-N 3.31Å; A225-S227 PolarHBondContact O-N 3.01Å; A225-F228 PolarHBondContact O-N 2.81Å; A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.31Å
226A98.1Very high97.2Very high6 Ų630.7 Ų30.75%0.0519%0.191CC..Hα-helixtrans-63-36.7175.200000112.2W189 V193 V222 G223 L224 L229 G230W189-A226 HydrophobicContact CB-CB 4.35Å; W189-A226 WeakPolarHBondContact CB-O 3.4Å; V193-A226 HydrophobicContact CB-CB 3.69Å; V193-A226 HydrophobicContact CG1-CB 3.93Å; V193-A226 HydrophobicContact CG2-CB 4.07Å; V222-A226 WeakPolarHBondContact O-CB 3.43Å; V222-A226 PolarHBondContact O-N 2.85Å; G223-A226 CarbonylContact O-C 3.53Å; G223-A226 WeakPolarHBondContact O-CB 3.44Å; G223-A226 PolarHBondContact O-N 3.24Å; G223-A226 VanDerWaalsContact O-N 3.16Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.03Å; A226-L229 PolarHBondContact O-N 3.39Å; A226-G230 PolarHBondContact O-N 3.2Å
227S98.4Very high97.5Very high0 Ų029.7 Ų29.70%019%0.189CC..Hα-helixtrans-62.3-45.7174.7-64.30000112.6G186 A190 G223 L224 A225 G230 G231 S270G186-S227 WeakPolarHBondContact CA-O 3.27Å; G186-S227 VanDerWaalsContact O-CA 3.31Å; G186-S227 WeakPolarHBondContact O-CA 3.23Å; G186-S227 WeakPolarHBondContact O-CB 3.41Å; G186-S227 PolarHBondContact O-OG 3.14Å; A190-S227 WeakPolarHBondContact CB-OG 3.25Å; G223-S227 PolarHBondContact O-N 2.68Å; G223-S227 PolarHBondContact O-OG 3.41Å; L224-S227 WeakPolarHBondContact O-CB 3.35Å; L224-S227 PolarHBondContact O-N 3.43Å; A225-S227 VanDerWaalsContact C-N 3.31Å; A225-S227 PolarHBondContact O-N 3.01Å; S227-G230 PolarHBondContact O-N 3.31Å; S227-G231 PolarHBondContact O-N 3.04Å; S227-S270 WeakPolarHBondContact CB-OG 3.4Å; S227-S270 WeakPolarHBondContact OG-CB 3.27Å; S227-S270 PolarHBondContact OG-OG 3.24Å
228F98.8Very high97.8Very high67 Ų6729.4 Ų29.429%0.29419%0.185SC..Hα-helixtrans-60.7-46.5175.3-178.7-90000111.2L224 A225 G230 G231 A232 L260 G263 V264 L267L224-F228 PolarHBondContact O-N 3.01Å; L224-F228 VanDerWaalsContact O-N 3.1Å; A225-F228 PolarHBondContact O-N 2.81Å; F228-G230 VanDerWaalsContact C-N 3.33Å; F228-G230 PolarHBondContact O-N 3.33Å; F228-G231 PolarHBondContact O-N 3.29Å; F228-A232 VanDerWaalsContact O-CB 3.28Å; F228-A232 WeakPolarHBondContact O-CB 3.31Å; F228-A232 PolarHBondContact O-N 3.37Å; F228-L260 HydrophobicContact CE2-CD1 4.09Å; F228-L260 HydrophobicContact CZ-CD1 3.89Å; F228-G263 WeakPolarHBondContact CA-O 3.44Å; F228-G263 VanDerWaalsContact CD2-O 3.29Å; F228-G263 WeakPolarHBondContact CD2-O 3.35Å; F228-G263 VanDerWaalsContact O-CA 3.25Å; F228-G263 WeakPolarHBondContact O-CA 3.33Å; F228-V264 HydrophobicContact CE2-CG2 4.29Å; F228-L267 HydrophobicContact CB-CB 4.31Å; F228-L267 HydrophobicContact CD2-CB 4.47Å
229L98.6Very high98Very high97 Ų9730.5 Ų30.551%0.50818%0.183SC..Hα-helixtrans-65.7-35.4179.2-68174.4000112.8W189 A225 A226 A232 T233W189-L229 HydrophobicContact CE3-CB 4.18Å; W189-L229 HydrophobicContact CZ3-CB 3.87Å; A225-L229 WeakPolarHBondContact O-CG 3.41Å; A225-L229 PolarHBondContact O-N 3.31Å; A226-L229 PolarHBondContact O-N 3.39Å; L229-A232 PolarHBondContact O-N 3.23Å; L229-T233 WeakPolarHBondContact O-CB 3.28Å; L229-T233 PolarHBondContact O-N 3.44Å; L229-T233 PolarHBondContact O-OG1 3.45Å
230G98.4Very high98Very high0 Ų031.8 Ų31.80%020%0.195CC..Hα-helixtrans-64.8-49.217600000112W189 A226 S227 F228 A232 T233 V234W189-G230 VanDerWaalsContact CE2-CA 3.49Å; W189-G230 VanDerWaalsContact CE3-CA 3.48Å; A226-G230 PolarHBondContact O-N 3.2Å; S227-G230 PolarHBondContact O-N 3.31Å; F228-G230 VanDerWaalsContact C-N 3.33Å; F228-G230 PolarHBondContact O-N 3.33Å; G230-A232 PolarHBondContact O-N 3.43Å; G230-T233 WeakPolarHBondContact O-CB 3.39Å; G230-T233 PolarHBondContact O-N 2.96Å; G230-V234 PolarHBondContact O-N 3.04Å
231G98.7Very high98Very high0 Ų032.3 Ų32.30%020%0.198CC..Hα-helixtrans-61.4-43173.900000112.8S227 F228 T233 V234 G235 G262S227-G231 PolarHBondContact O-N 3.04Å; F228-G231 PolarHBondContact O-N 3.29Å; G231-T233 VanDerWaalsContact C-N 3.3Å; G231-T233 PolarHBondContact O-N 3.25Å; G231-V234 PolarHBondContact O-N 3.37Å; G231-G235 PolarHBondContact O-N 3.47Å; G231-G262 CarbonylContact C-O 3.01Å; G231-G262 VanDerWaalsContact C-O 3.27Å; G231-G262 WeakPolarHBondContact CA-O 3.32Å; G231-G262 CarbonylContact O-C 3.34Å
232A98.8Very high98Very high13 Ų1328 Ų2811%0.10717%0.171CC..Hα-helixtrans-63.3-36.6177.300000111.8F228 L229 G230 V234 G235 V236 V259F228-A232 VanDerWaalsContact O-CB 3.28Å; F228-A232 WeakPolarHBondContact O-CB 3.31Å; F228-A232 PolarHBondContact O-N 3.37Å; L229-A232 PolarHBondContact O-N 3.23Å; G230-A232 PolarHBondContact O-N 3.43Å; A232-V234 VanDerWaalsContact C-N 3.32Å; A232-V234 PolarHBondContact O-N 3.34Å; A232-G235 CarbonylContact O-C 3.27Å; A232-G235 WeakPolarHBondContact O-CA 3.42Å; A232-G235 PolarHBondContact O-N 2.81Å; A232-G235 VanDerWaalsContact O-N 3.15Å; A232-V236 WeakPolarHBondContact O-CG2 3.35Å; A232-V236 PolarHBondContact O-N 3.44Å; A232-V259 HydrophobicContact CB-CG1 4.29Å
233T98.8Very high97.9Very high43 Ų4330.2 Ų30.226%0.26418%0.18SC..Hα-helixtrans-61.4-41176.2-61.80000111.8T107 W189 L229 G230 G231 V236 A237T107-T233 HydrophobicContact CG2-CG2 3.8Å; W189-T233 HydrophobicContact CH2-CG2 4.33Å; W189-T233 WeakPolarHBondContact CH2-OG1 3.38Å; W189-T233 HydrophobicContact CZ2-CG2 4.09Å; L229-T233 WeakPolarHBondContact O-CB 3.28Å; L229-T233 PolarHBondContact O-N 3.44Å; L229-T233 PolarHBondContact O-OG1 3.45Å; G230-T233 WeakPolarHBondContact O-CB 3.39Å; G230-T233 PolarHBondContact O-N 2.96Å; G231-T233 VanDerWaalsContact C-N 3.3Å; G231-T233 PolarHBondContact O-N 3.25Å; T233-V236 PolarHBondContact O-N 2.99Å; T233-A237 PolarHBondContact O-N 3.4Å; T233-A237 VanDerWaalsContact O-N 3.17Å
234V98.5Very high97.7Very high0 Ų037.4 Ų37.40%022%0.216CC..Hα-helixtrans-65.7-42.5173.8178.90000110.6A100 F104 L178 L181 A185 G230 G231 A232 V236 A237 Y238A100-V234 HydrophobicContact CB-CG1 3.53Å; F104-V234 HydrophobicContact CB-CG2 3.9Å; L178-V234 HydrophobicContact CD1-CG1 3.7Å; L181-V234 HydrophobicContact CB-CG1 4.15Å; A185-V234 HydrophobicContact CB-CG2 3.58Å; G230-V234 PolarHBondContact O-N 3.04Å; G231-V234 PolarHBondContact O-N 3.37Å; A232-V234 VanDerWaalsContact C-N 3.32Å; A232-V234 PolarHBondContact O-N 3.34Å; V234-V236 PolarHBondContact O-N 3.27Å; V234-A237 PolarHBondContact O-N 2.97Å; V234-Y238 PolarHBondContact O-N 2.94Å
235G98.6Very high97.4Very high0 Ų037.4 Ų37.40%022%0.222CC..Hα-helixtrans-61.1-39.1174.500000113.7G231 A232 Y238 F239G231-G235 PolarHBondContact O-N 3.47Å; A232-G235 CarbonylContact O-C 3.27Å; A232-G235 WeakPolarHBondContact O-CA 3.42Å; A232-G235 PolarHBondContact O-N 2.81Å; A232-G235 VanDerWaalsContact O-N 3.15Å; G235-Y238 PolarHBondContact O-N 3.26Å; G235-F239 WeakPolarHBondContact O-CB 3.45Å; G235-F239 PolarHBondContact O-N 3.43Å
236V98.7Very high97.1Very high76 Ų7635.3 Ų35.346%0.46120%0.204SC..Hα-helixtrans-62.5-43.6174.3168.50000110.9A232 T233 V234 F239 A240 V259A232-V236 WeakPolarHBondContact O-CG2 3.35Å; A232-V236 PolarHBondContact O-N 3.44Å; T233-V236 PolarHBondContact O-N 2.99Å; V234-V236 PolarHBondContact O-N 3.27Å; V236-F239 PolarHBondContact O-N 3.27Å; V236-A240 VanDerWaalsContact O-CB 3.22Å; V236-A240 WeakPolarHBondContact O-CB 3.4Å; V236-A240 PolarHBondContact O-N 3.44Å; V236-V259 HydrophobicContact CG2-CB 4.48Å; V236-V259 HydrophobicContact CG2-CG1 3.68Å; V236-V259 HydrophobicContact CG2-CG2 3.95Å
237A98.5Very high96.5Very high21 Ų2139.1 Ų39.117%0.17424%0.244CC..Hα-helixtrans-64.4-41.6178.700000112.2S99 A103 T233 V234 T241S99-A237 PolarHBondContact OG-O 2.97Å; A103-A237 HydrophobicContact CB-CB 3.44Å; A103-A237 VanDerWaalsContact CB-CB 3.44Å; T233-A237 PolarHBondContact O-N 3.4Å; T233-A237 VanDerWaalsContact O-N 3.17Å; V234-A237 PolarHBondContact O-N 2.97Å; A237-T241 PolarHBondContact O-N 2.88Å; A237-T241 VanDerWaalsContact O-N 3.14Å; A237-T241 PolarHBondContact O-OG1 2.94Å
238Y98.4Very high95.9Very high0 Ų043.6 Ų43.60%027%0.268CS..Hα-helixtrans-59.1-54.6172.7-170.8-69.9000110.6S96 F97 A100 C174 L178 V234 G235 A240 T241 Q242 V258S96-Y238 WeakPolarHBondContact O-CD2 3.44Å; F97-Y238 AromaticContact CD1-CE2 3.69Å; F97-Y238 HydrophobicContact CD1-CE2 3.69Å; F97-Y238 AromaticContact CE1-CE2 3.83Å; F97-Y238 HydrophobicContact CE1-CE2 3.83Å; A100-Y238 HydrophobicContact CB-CD2 4.45Å; C174-Y238 WeakPolarHBondContact CB-OH 3.31Å; L178-Y238 HydrophobicContact CB-CD2 4.41Å; L178-Y238 HydrophobicContact CD1-CD2 4.28Å; L178-Y238 HydrophobicContact CD2-CD2 4.4Å; L178-Y238 HydrophobicContact CD2-CG 4.36Å; V234-Y238 PolarHBondContact O-N 2.94Å; G235-Y238 PolarHBondContact O-N 3.26Å; Y238-A240 PolarHBondContact O-N 2.89Å; Y238-T241 WeakPolarHBondContact O-CB 3.5Å; Y238-T241 PolarHBondContact O-N 2.99Å; Y238-Q242 HydrophobicContact CD1-CG 3.74Å; Y238-Q242 HydrophobicContact CE1-CG 3.49Å; Y238-Q242 VanDerWaalsContact CE1-CG 3.49Å; Y238-Q242 PolarHBondContact O-N 3.44Å; Y238-V258 HydrophobicContact CD1-CG1 3.67Å; Y238-V258 HydrophobicContact CE1-CG1 4.4Å; Y238-V258 HydrophobicContact CG-CG1 4.09Å
239F97.6Very high95.3Very high49 Ų4941.3 Ų41.322%0.21526%0.259CS..Hα-helixtrans-62.2-41-177.2178.1-128.7000112.5G235 V236 T241 Q242 L243 Q255 V258 V259G235-F239 WeakPolarHBondContact O-CB 3.45Å; G235-F239 PolarHBondContact O-N 3.43Å; V236-F239 PolarHBondContact O-N 3.27Å; F239-T241 PolarHBondContact O-N 3.26Å; F239-Q242 WeakPolarHBondContact O-CB 3.46Å; F239-Q242 PolarHBondContact O-N 2.83Å; F239-L243 HydrophobicContact CD1-CD1 4.25Å; F239-L243 HydrophobicContact CD2-CG 4.34Å; F239-L243 HydrophobicContact CE1-CD1 3.83Å; F239-L243 HydrophobicContact CE1-CG 4.48Å; F239-L243 HydrophobicContact CE2-CD1 4.14Å; F239-L243 HydrophobicContact CE2-CD2 3.96Å; F239-L243 HydrophobicContact CE2-CG 3.89Å; F239-L243 HydrophobicContact CZ-CD1 3.78Å; F239-L243 HydrophobicContact CZ-CD2 3.97Å; F239-L243 HydrophobicContact CZ-CG 4Å; F239-L243 WeakPolarHBondContact O-CG 3.19Å; F239-L243 PolarHBondContact O-N 2.64Å; F239-Q255 HydrophobicContact CD2-CB 3.81Å; F239-Q255 HydrophobicContact CE2-CB 3.55Å; F239-V258 HydrophobicContact CB-CG1 4.36Å; F239-V259 HydrophobicContact CB-CG2 4.04Å; F239-V259 HydrophobicContact CD1-CG2 4.03Å; F239-V259 HydrophobicContact CG-CG2 4.32Å
240A97.5Very high94.7Very high40 Ų4045.3 Ų45.333%0.33128%0.275SS..Hα-helixtrans-60.4-35.5174.300000111.9V236 Y238 L244V236-A240 VanDerWaalsContact O-CB 3.22Å; V236-A240 WeakPolarHBondContact O-CB 3.4Å; V236-A240 PolarHBondContact O-N 3.44Å; Y238-A240 PolarHBondContact O-N 2.89Å; A240-L244 VanDerWaalsContact O-CG 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.45Å
241T96.4Very high94.2Very high23 Ų2351.5 Ų51.514%0.14131%0.307CS..Hα-helixtrans-71.6-40177.3-53.20000111.5L95 S99 A237 Y238 F239 L243 L244 A245L95-T241 HydrophobicContact CB-CG2 3.91Å; S99-T241 WeakPolarHBondContact CB-OG1 3.21Å; S99-T241 PolarHBondContact OG-OG1 3.25Å; A237-T241 PolarHBondContact O-N 2.88Å; A237-T241 VanDerWaalsContact O-N 3.14Å; A237-T241 PolarHBondContact O-OG1 2.94Å; Y238-T241 WeakPolarHBondContact O-CB 3.5Å; Y238-T241 PolarHBondContact O-N 2.99Å; F239-T241 PolarHBondContact O-N 3.26Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 PolarHBondContact O-N 3Å; T241-L244 PolarHBondContact O-N 3.45Å; T241-L244 VanDerWaalsContact O-N 3.11Å; T241-A245 HydrophobicContact CG2-CB 4.47Å; T241-A245 VanDerWaalsContact O-CB 3.28Å; T241-A245 WeakPolarHBondContact O-CB 3.25Å; T241-A245 PolarHBondContact O-N 2.97Å
242Q94.9Very high93.8Very high0 Ų052.4 Ų52.40%031%0.314CS..Hα-helixtrans-57.3-45.4173.2-71.4-75.7-52.900111.7S96 I160 Y238 F239 L244 A245 V246S96-Q242 PolarHBondContact OG-NE2 3.1Å; I160-Q242 PolarHBondContact O-NE2 2.95Å; I160-Q242 VanDerWaalsContact O-NE2 3.09Å; I160-Q242 PolarHBondContact O-OE1 3.11Å; Y238-Q242 HydrophobicContact CD1-CG 3.74Å; Y238-Q242 HydrophobicContact CE1-CG 3.49Å; Y238-Q242 VanDerWaalsContact CE1-CG 3.49Å; Y238-Q242 PolarHBondContact O-N 3.44Å; F239-Q242 WeakPolarHBondContact O-CB 3.46Å; F239-Q242 PolarHBondContact O-N 2.83Å; Q242-L244 PolarHBondContact O-N 3.31Å; Q242-A245 PolarHBondContact O-N 2.87Å; Q242-V246 WeakPolarHBondContact O-CB 3.19Å; Q242-V246 PolarHBondContact O-N 2.92Å
243L94.8Very high93.4Very high97 Ų9752.9 Ų52.951%0.50832%0.315SS..Hα-helixtrans-60.7-30.1176.5-69171.3000113.7F239 T241 L249F239-L243 HydrophobicContact CD1-CD1 4.25Å; F239-L243 HydrophobicContact CD2-CG 4.34Å; F239-L243 HydrophobicContact CE1-CD1 3.83Å; F239-L243 HydrophobicContact CE1-CG 4.48Å; F239-L243 HydrophobicContact CE2-CD1 4.14Å; F239-L243 HydrophobicContact CE2-CD2 3.96Å; F239-L243 HydrophobicContact CE2-CG 3.89Å; F239-L243 HydrophobicContact CZ-CD1 3.78Å; F239-L243 HydrophobicContact CZ-CD2 3.97Å; F239-L243 HydrophobicContact CZ-CG 4Å; F239-L243 WeakPolarHBondContact O-CG 3.19Å; F239-L243 PolarHBondContact O-N 2.64Å; T241-L243 VanDerWaalsContact C-N 3.32Å; T241-L243 PolarHBondContact O-N 3Å; L243-L249 HydrophobicContact CD2-CD2 3.67Å; L243-L249 HydrophobicContact CG-CD2 4.37Å
244L94.1Very high93.1Very high157 Ų15753.3 Ų53.382%0.82232%0.319SS*.Hα-helixtrans-92.5-29.7-176.5-67.4172.3000113.4A240 T241 Q242A240-L244 VanDerWaalsContact O-CG 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.45Å; T241-L244 PolarHBondContact O-N 3.45Å; T241-L244 VanDerWaalsContact O-N 3.11Å; Q242-L244 PolarHBondContact O-N 3.31Å
245A91.4Very high92.9Very high42 Ų4253.7 Ų53.735%0.34732%0.321SS..Hα-helixtrans-112-19.3-168.200000114.1E159 T241 Q242E159-A245 HydrophobicContact CB-CB 4.39Å; E159-A245 HydrophobicContact CG-CB 3.86Å; T241-A245 HydrophobicContact CG2-CB 4.47Å; T241-A245 VanDerWaalsContact O-CB 3.28Å; T241-A245 WeakPolarHBondContact O-CB 3.25Å; T241-A245 PolarHBondContact O-N 2.97Å; Q242-A245 PolarHBondContact O-N 2.87Å
246V91.1Very high92.7Very high10 Ų1060.8 Ų60.86%0.06135%0.347CS..  trans-101.5110.3178.6-176.10000109.7E159 P161 Q242 D248 L249E159-V246 HydrophobicContact CB-CG2 3.66Å; P161-V246 HydrophobicContact CB-CG1 4.44Å; P161-V246 HydrophobicContact CG-CG1 4.41Å; Q242-V246 WeakPolarHBondContact O-CB 3.19Å; Q242-V246 PolarHBondContact O-N 2.92Å; V246-D248 WeakPolarHBondContact CG1-OD1 3.33Å; V246-L249 HydrophobicContact CB-CD1 4.09Å; V246-L249 HydrophobicContact CG1-CB 4.3Å; V246-L249 HydrophobicContact CG1-CD1 3.94Å
247G85.2Confident92.6Very high86 Ų8657.7 Ų57.789%0.88733%0.329SS*.THydrogen-bonded Turntrans-74.1-28.7-173.400000114.8
248D85.1Confident92.6Very high94 Ų9456.7 Ų56.750%0.50332%0.321SS..THydrogen-bonded Turntrans-106.122.9-174.461.5-31.2000113.1V246 Q250 L251V246-D248 WeakPolarHBondContact CG1-OD1 3.33Å; D248-Q250 PolarHBondContact O-N 3.15Å; D248-L251 HydrophobicContact CB-CD1 4.24Å; D248-L251 WeakPolarHBondContact O-CB 3.44Å; D248-L251 PolarHBondContact O-N 3.47Å
249L88Confident92.6Very high20 Ų2058.4 Ų58.411%0.10533%0.331CS..G310 helixtrans-55.1-29.1-176.5-159.465.5000114P161 L243 V246 L251 A252 Q255P161-L249 HydrophobicContact CB-CD1 3.74Å; L243-L249 HydrophobicContact CD2-CD2 3.67Å; L243-L249 HydrophobicContact CG-CD2 4.37Å; V246-L249 HydrophobicContact CB-CD1 4.09Å; V246-L249 HydrophobicContact CG1-CB 4.3Å; V246-L249 HydrophobicContact CG1-CD1 3.94Å; L249-L251 PolarHBondContact O-N 2.88Å; L249-A252 PolarHBondContact O-N 3.06Å; L249-Q255 HydrophobicContact CD1-CG 3.47Å; L249-Q255 VanDerWaalsContact CD1-CG 3.47Å; L249-Q255 HydrophobicContact CD2-CG 4.21Å; L249-Q255 HydrophobicContact CG-CG 3.87Å
250Q86Confident92.6Very high181 Ų18160.2 Ų60.285%0.84634%0.343SS*.G310 helixtrans-69.5-17.4179-56.8-61.6-19.500113.5D248D248-Q250 PolarHBondContact O-N 3.15Å
251L86.4Confident92.7Very high129 Ų12959 Ų5968%0.67533%0.33SS*.G310 helixtrans-91.1-8.2177.8-58.8-179.9000112.5K166 D248 L249K166-L251 PolarHBondContact NZ-O 2.97Å; D248-L251 HydrophobicContact CB-CD1 4.24Å; D248-L251 WeakPolarHBondContact O-CB 3.44Å; D248-L251 PolarHBondContact O-N 3.47Å; L249-L251 PolarHBondContact O-N 2.88Å
252A89.9Confident92.8Very high19 Ų1958 Ų5816%0.15732%0.323CS..SBendtrans-98.7167.8179.100000111.4P161 D163 L249P161-A252 HydrophobicContact CB-CB 3.54Å; P161-A252 HydrophobicContact CG-CB 3.68Å; D163-A252 HydrophobicContact CB-CB 4.36Å; L249-A252 PolarHBondContact O-N 3.06Å
253D91.8Very high93Very high24 Ų2458 Ų5813%0.12832%0.323CS..SBendtrans-54.2156.8172-71-14000111.4Q255D253-Q255 PolarHBondContact O-N 3.25Å; D253-Q255 PolarHBondContact O-NE2 2.81Å
254P92.8Very high93.1Very high51 Ų5155.8 Ų55.833%0.33131%0.314SS..PPolyproline II helixtrans-57.5128.7178.7-24.133.5000112.4P257 W334 P335P254-P257 WeakPolarHBondContact O-CD 3.13Å; P254-W334 PolarHBondContact O-NE1 3.37Å; P254-P335 HydrophobicContact CB-CG 3.89Å; P254-P335 HydrophobicContact CG-CB 4.12Å; P254-P335 HydrophobicContact CG-CG 3.99Å
255Q94.7Very high93.3Very high9 Ų948.3 Ų48.34%0.04228%0.275CS..  trans-93.8-12.2-174.7-61.2-59-56.100114.5I162 F239 L249 D253 P257 V258I162-Q255 PolarHBondContact O-NE2 3.35Å; F239-Q255 HydrophobicContact CD2-CB 3.81Å; F239-Q255 HydrophobicContact CE2-CB 3.55Å; L249-Q255 HydrophobicContact CD1-CG 3.47Å; L249-Q255 VanDerWaalsContact CD1-CG 3.47Å; L249-Q255 HydrophobicContact CD2-CG 4.21Å; L249-Q255 HydrophobicContact CG-CG 3.87Å; D253-Q255 PolarHBondContact O-N 3.25Å; D253-Q255 PolarHBondContact O-NE2 2.81Å; Q255-P257 VanDerWaalsContact C-N 3.25Å; Q255-P257 WeakPolarHBondContact O-CD 3.5Å; Q255-V258 VanDerWaalsContact O-CB 3.23Å; Q255-V258 WeakPolarHBondContact O-CB 3.44Å; Q255-V258 WeakPolarHBondContact O-CG2 3.25Å; Q255-V258 PolarHBondContact O-N 2.91Å; Q255-V258 VanDerWaalsContact O-N 3.1Å
256W93.4Very high93.7Very high149 Ų14946.3 Ų46.356%0.56426%0.258SS*.THydrogen-bonded Turntrans-54.5-30.1176.372-97.5000114.7V258 V259 L260 P335W256-V258 PolarHBondContact O-N 3.25Å; W256-V258 VanDerWaalsContact O-N 3.11Å; W256-V259 PolarHBondContact O-N 3Å; W256-L260 HydrophobicContact CZ3-CD2 4.38Å; W256-P335 HydrophobicContact CZ2-CG 4.43Å
257P97.1Very high94Very high11 Ų1148.1 Ų48.17%0.07127%0.267CS..Hα-helixtrans-62.2-18.8177.9-21.233.5000113.4P254 Q255 V259 L260 Y261 W334 P335P254-P257 WeakPolarHBondContact O-CD 3.13Å; Q255-P257 VanDerWaalsContact C-N 3.25Å; Q255-P257 WeakPolarHBondContact O-CD 3.5Å; P257-V259 PolarHBondContact O-N 2.87Å; P257-L260 PolarHBondContact O-N 3.11Å; P257-L260 VanDerWaalsContact O-N 3.16Å; P257-Y261 VanDerWaalsContact O-CB 3.25Å; P257-Y261 WeakPolarHBondContact O-CB 3.49Å; P257-Y261 PolarHBondContact O-N 3.41Å; P257-W334 HydrophobicContact CB-CD2 4.34Å; P257-W334 HydrophobicContact CB-CE3 4.13Å; P257-W334 HydrophobicContact CB-CH2 3.83Å; P257-W334 HydrophobicContact CB-CZ2 4.01Å; P257-W334 HydrophobicContact CB-CZ3 3.88Å; P257-W334 HydrophobicContact CG-CZ2 4.25Å; P257-P335 HydrophobicContact CG-CG 3.55Å
258V97.7Very high94.7Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-53.2-38.6173.8172.80000111.8I162 L178 Y238 F239 Q255 W256 G262 W334I162-V258 HydrophobicContact CG1-CG2 4.05Å; L178-V258 HydrophobicContact CD2-CG1 3.47Å; L178-V258 VanDerWaalsContact CD2-CG1 3.47Å; Y238-V258 HydrophobicContact CD1-CG1 3.67Å; Y238-V258 HydrophobicContact CE1-CG1 4.4Å; Y238-V258 HydrophobicContact CG-CG1 4.09Å; F239-V258 HydrophobicContact CB-CG1 4.36Å; Q255-V258 VanDerWaalsContact O-CB 3.23Å; Q255-V258 WeakPolarHBondContact O-CB 3.44Å; Q255-V258 WeakPolarHBondContact O-CG2 3.25Å; Q255-V258 PolarHBondContact O-N 2.91Å; Q255-V258 VanDerWaalsContact O-N 3.1Å; W256-V258 PolarHBondContact O-N 3.25Å; W256-V258 VanDerWaalsContact O-N 3.11Å; V258-G262 PolarHBondContact O-N 2.77Å; V258-W334 HydrophobicContact CB-CH2 4.47Å; V258-W334 HydrophobicContact CG2-CH2 3.65Å; V258-W334 HydrophobicContact CG2-CZ2 3.91Å
259V98.4Very high95.2Very high36 Ų3643 Ų4322%0.21822%0.219CC..Hα-helixtrans-69.1-46.7179.51790000111A232 V236 F239 W256 P257 G262 G263A232-V259 HydrophobicContact CB-CG1 4.29Å; V236-V259 HydrophobicContact CG2-CB 4.48Å; V236-V259 HydrophobicContact CG2-CG1 3.68Å; V236-V259 HydrophobicContact CG2-CG2 3.95Å; F239-V259 HydrophobicContact CB-CG2 4.04Å; F239-V259 HydrophobicContact CD1-CG2 4.03Å; F239-V259 HydrophobicContact CG-CG2 4.32Å; W256-V259 PolarHBondContact O-N 3Å; P257-V259 PolarHBondContact O-N 2.87Å; V259-G262 PolarHBondContact O-N 2.66Å; V259-G263 PolarHBondContact O-N 3.49Å
260L98.3Very high95.7Very high87 Ų8742.1 Ų42.146%0.45522%0.215SC..Hα-helixtrans-64.8-42.5177.8179.559.6000110.9F228 W256 P257 G262 G263 V264F228-L260 HydrophobicContact CE2-CD1 4.09Å; F228-L260 HydrophobicContact CZ-CD1 3.89Å; W256-L260 HydrophobicContact CZ3-CD2 4.38Å; P257-L260 PolarHBondContact O-N 3.11Å; P257-L260 VanDerWaalsContact O-N 3.16Å; L260-G262 PolarHBondContact O-N 3.33Å; L260-G263 PolarHBondContact O-N 3.01Å; L260-G263 VanDerWaalsContact O-N 3.15Å; L260-V264 HydrophobicContact CD1-CG2 4.24Å; L260-V264 HydrophobicContact CG-CG2 4.46Å; L260-V264 WeakPolarHBondContact O-CG2 3.49Å; L260-V264 PolarHBondContact O-N 2.92Å
261Y98.6Very high96.2Very high15 Ų1537 Ų376%0.05919%0.191CC..Hα-helixtrans-56.2-49.1174.1175.7-89.1000111L175 L178 P257 G263 V264 A265 L326 P327 A330L175-Y261 HydrophobicContact CB-CE1 4Å; L175-Y261 HydrophobicContact CB-CE2 4.24Å; L175-Y261 HydrophobicContact CD1-CD2 4.27Å; L175-Y261 HydrophobicContact CD1-CE2 4.15Å; L175-Y261 HydrophobicContact CD2-CD1 3.98Å; L175-Y261 HydrophobicContact CD2-CE1 4.13Å; L175-Y261 HydrophobicContact CD2-CG 4.25Å; L175-Y261 WeakPolarHBondContact O-CE1 3.26Å; L175-Y261 VanDerWaalsContact O-CZ 3.29Å; L175-Y261 PolarHBondContact O-OH 3.35Å; L178-Y261 HydrophobicContact CB-CE1 4.4Å; L178-Y261 HydrophobicContact CD2-CD1 3.88Å; L178-Y261 HydrophobicContact CD2-CE1 4.35Å; L178-Y261 HydrophobicContact CG-CD1 4.2Å; L178-Y261 HydrophobicContact CG-CE1 4.29Å; P257-Y261 VanDerWaalsContact O-CB 3.25Å; P257-Y261 WeakPolarHBondContact O-CB 3.49Å; P257-Y261 PolarHBondContact O-N 3.41Å; Y261-G263 VanDerWaalsContact C-N 3.32Å; Y261-G263 PolarHBondContact O-N 2.73Å; Y261-V264 PolarHBondContact O-N 3.27Å; Y261-A265 HydrophobicContact CE1-CB 4.49Å; Y261-A265 VanDerWaalsContact O-CB 3.24Å; Y261-A265 WeakPolarHBondContact O-CB 3.41Å; Y261-A265 PolarHBondContact O-N 3.18Å; Y261-L326 HydrophobicContact CD2-CD2 4.44Å; Y261-L326 HydrophobicContact CD2-CG 4.34Å; Y261-L326 HydrophobicContact CE2-CB 4.25Å; Y261-L326 HydrophobicContact CE2-CD2 3.87Å; Y261-L326 HydrophobicContact CE2-CG 3.6Å; Y261-P327 WeakPolarHBondContact OH-CD 3.3Å; Y261-P327 WeakPolarHBondContact OH-CG 3.28Å; Y261-A330 HydrophobicContact CD2-CB 3.71Å; Y261-A330 HydrophobicContact CE2-CB 3.76Å
262G98.7Very high96.7Very high0 Ų033.4 Ų33.40%017%0.173CC..Hα-helixtrans-56.7-45.6174.500000111.8A182 G231 V258 V259 L260 A265 G266A182-G262 WeakPolarHBondContact CB-O 3.13Å; G231-G262 CarbonylContact C-O 3.01Å; G231-G262 VanDerWaalsContact C-O 3.27Å; G231-G262 WeakPolarHBondContact CA-O 3.32Å; G231-G262 CarbonylContact O-C 3.34Å; V258-G262 PolarHBondContact O-N 2.77Å; V259-G262 PolarHBondContact O-N 2.66Å; L260-G262 PolarHBondContact O-N 3.33Å; G262-A265 PolarHBondContact O-N 3.23Å; G262-G266 PolarHBondContact O-N 2.86Å
263G98.8Very high97Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-62.1-46.1177.700000113.5F228 V259 L260 Y261 G266 L267F228-G263 WeakPolarHBondContact CA-O 3.44Å; F228-G263 VanDerWaalsContact CD2-O 3.29Å; F228-G263 WeakPolarHBondContact CD2-O 3.35Å; F228-G263 VanDerWaalsContact O-CA 3.25Å; F228-G263 WeakPolarHBondContact O-CA 3.33Å; V259-G263 PolarHBondContact O-N 3.49Å; L260-G263 PolarHBondContact O-N 3.01Å; L260-G263 VanDerWaalsContact O-N 3.15Å; Y261-G263 VanDerWaalsContact C-N 3.32Å; Y261-G263 PolarHBondContact O-N 2.73Å; G263-G266 PolarHBondContact O-N 3.27Å; G263-L267 PolarHBondContact O-N 3.49Å
264V98.5Very high97.2Very high52 Ų5232.5 Ų32.532%0.31517%0.166SC..Hα-helixtrans-63.5-42.3176.1172.80000110.9F228 L260 Y261 G266 L267 L268 L326F228-V264 HydrophobicContact CE2-CG2 4.29Å; L260-V264 HydrophobicContact CD1-CG2 4.24Å; L260-V264 HydrophobicContact CG-CG2 4.46Å; L260-V264 WeakPolarHBondContact O-CG2 3.49Å; L260-V264 PolarHBondContact O-N 2.92Å; Y261-V264 PolarHBondContact O-N 3.27Å; V264-G266 VanDerWaalsContact C-N 3.35Å; V264-G266 PolarHBondContact O-N 3.48Å; V264-L267 PolarHBondContact O-N 3.31Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG1-CG 4.07Å; V264-L268 WeakPolarHBondContact O-CB 3.24Å; V264-L268 WeakPolarHBondContact O-CG 3.41Å; V264-L268 PolarHBondContact O-N 2.85Å; V264-L326 HydrophobicContact CG1-CD1 4.35Å
265A98.6Very high97.4Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-61.2-41.9176.100000112.2A182 Y261 G262 G269 V322 L326A182-A265 HydrophobicContact CB-CB 3.8Å; Y261-A265 HydrophobicContact CE1-CB 4.49Å; Y261-A265 VanDerWaalsContact O-CB 3.24Å; Y261-A265 WeakPolarHBondContact O-CB 3.41Å; Y261-A265 PolarHBondContact O-N 3.18Å; G262-A265 PolarHBondContact O-N 3.23Å; A265-G269 WeakPolarHBondContact O-CA 3.28Å; A265-G269 PolarHBondContact O-N 3.02Å; A265-V322 HydrophobicContact CB-CG1 3.99Å; A265-L326 HydrophobicContact CB-CD2 3.52Å
266G98.6Very high97.4Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-65.3-42.2175.700000113.1A182 G262 G263 V264 S270A182-G266 WeakPolarHBondContact O-CA 3.12Å; G262-G266 PolarHBondContact O-N 2.86Å; G263-G266 PolarHBondContact O-N 3.27Å; V264-G266 VanDerWaalsContact C-N 3.35Å; V264-G266 PolarHBondContact O-N 3.48Å; G266-S270 PolarHBondContact O-N 3.17Å; G266-S270 VanDerWaalsContact O-N 3.1Å; G266-S270 PolarHBondContact O-OG 3.31Å
267L98.6Very high97.4Very high48 Ų4827.9 Ų27.925%0.25115%0.149SC..Hα-helixtrans-66.8-51.7176.8177.163.1000112.2L224 F228 G263 V264 G269 S270 M271L224-L267 HydrophobicContact CB-CD1 3.92Å; L224-L267 HydrophobicContact CD2-CD1 3.94Å; L224-L267 HydrophobicContact CG-CD1 4.48Å; F228-L267 HydrophobicContact CB-CB 4.31Å; F228-L267 HydrophobicContact CD2-CB 4.47Å; G263-L267 PolarHBondContact O-N 3.49Å; V264-L267 PolarHBondContact O-N 3.31Å; L267-G269 VanDerWaalsContact C-N 3.31Å; L267-G269 PolarHBondContact O-N 3.26Å; L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 PolarHBondContact O-OG 2.96Å; L267-S270 VanDerWaalsContact O-OG 3.13Å; L267-M271 HydrophobicContact CD1-CG 4.48Å; L267-M271 HydrophobicContact CD1-SD 4.17Å; L267-M271 HydrophobicContact CG-SD 4.2Å; L267-M271 VanDerWaalsContact O-CG 3.28Å; L267-M271 WeakPolarHBondContact O-CG 3.5Å; L267-M271 PolarHBondContact O-N 2.96Å
268L98.1Very high97.3Very high71 Ų7127.7 Ų27.737%0.37215%0.149SC..Hα-helixtrans-64.9-39.4179.7-68.7179.7000111.1V264 M271 L272 L326V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG1-CG 4.07Å; V264-L268 WeakPolarHBondContact O-CB 3.24Å; V264-L268 WeakPolarHBondContact O-CG 3.41Å; V264-L268 PolarHBondContact O-N 2.85Å; L268-M271 PolarHBondContact O-N 2.74Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.47Å; L268-L272 PolarHBondContact O-N 3.04Å; L268-L326 HydrophobicContact CD1-CD1 3.94Å
269G97.4Very high97.1Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-58.2-49.5175.800000112.9C183 A265 L267 M271 L272 D273C183-G269 WeakPolarHBondContact SG-CA 3.19Å; A265-G269 WeakPolarHBondContact O-CA 3.28Å; A265-G269 PolarHBondContact O-N 3.02Å; L267-G269 VanDerWaalsContact C-N 3.31Å; L267-G269 PolarHBondContact O-N 3.26Å; G269-M271 VanDerWaalsContact C-N 3.33Å; G269-M271 PolarHBondContact O-N 3.43Å; G269-L272 PolarHBondContact O-N 2.93Å; G269-D273 PolarHBondContact O-N 2.61Å
270S97Very high96.8Very high3 Ų333.7 Ų33.72%0.02118%0.175CC..Hα-helixtrans-69.1-31.2178.672.90000113.1S227 G266 L267 S274S227-S270 WeakPolarHBondContact CB-OG 3.4Å; S227-S270 WeakPolarHBondContact OG-CB 3.27Å; S227-S270 PolarHBondContact OG-OG 3.24Å; G266-S270 PolarHBondContact O-N 3.17Å; G266-S270 VanDerWaalsContact O-N 3.1Å; G266-S270 PolarHBondContact O-OG 3.31Å; L267-S270 PolarHBondContact O-N 3.42Å; L267-S270 PolarHBondContact O-OG 2.96Å; L267-S270 VanDerWaalsContact O-OG 3.13Å; S270-S274 VanDerWaalsContact O-CB 3.29Å; S270-S274 WeakPolarHBondContact O-CB 3.24Å; S270-S274 PolarHBondContact O-N 3.36Å; S270-S274 PolarHBondContact O-OG 3.34Å
271M97.6Very high96.5Very high72 Ų7229.9 Ų29.936%0.35516%0.155SC..Hα-helixtrans-67.5-40.9172.1-71.9179.168.800111.8I205 L224 L267 L268 G269 S274 L275I205-M271 HydrophobicContact CD1-CB 4.19Å; I205-M271 HydrophobicContact CD1-CG 4.49Å; I205-M271 WeakPolarHBondContact CD1-O 3.13Å; L224-M271 HydrophobicContact CD2-CG 3.79Å; L224-M271 HydrophobicContact CD2-SD 4.46Å; L267-M271 HydrophobicContact CD1-CG 4.48Å; L267-M271 HydrophobicContact CD1-SD 4.17Å; L267-M271 HydrophobicContact CG-SD 4.2Å; L267-M271 VanDerWaalsContact O-CG 3.28Å; L267-M271 WeakPolarHBondContact O-CG 3.5Å; L267-M271 PolarHBondContact O-N 2.96Å; L268-M271 PolarHBondContact O-N 2.74Å; G269-M271 VanDerWaalsContact C-N 3.33Å; G269-M271 PolarHBondContact O-N 3.43Å; M271-S274 PolarHBondContact O-N 3.4Å; M271-L275 WeakPolarHBondContact O-CB 3.43Å; M271-L275 PolarHBondContact O-N 2.91Å
272L97.1Very high96.3Very high55 Ų5529.6 Ų29.629%0.28815%0.154SC..Hα-helixtrans-65.2-43.8174.4-74.3173.2000111.3L268 G269 S274 L275 L276 L321 V322L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 VanDerWaalsContact O-CG 3.3Å; L268-L272 WeakPolarHBondContact O-CG 3.47Å; L268-L272 PolarHBondContact O-N 3.04Å; G269-L272 PolarHBondContact O-N 2.93Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 2.92Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-L276 WeakPolarHBondContact O-CB 3.2Å; L272-L276 WeakPolarHBondContact O-CG 3.35Å; L272-L276 PolarHBondContact O-N 3.47Å; L272-L321 HydrophobicContact CD1-CB 4.28Å; L272-V322 HydrophobicContact CD1-CG2 3.89Å
273D95.8Very high96Very high9 Ų929.6 Ų29.65%0.04815%0.154CC..Hα-helixtrans-58.7-47.8174.7-170.991.7000110.6G269 L275 L276 G277 V314 N315 S318G269-D273 PolarHBondContact O-N 2.61Å; D273-L275 VanDerWaalsContact C-N 3.33Å; D273-L275 PolarHBondContact O-N 3.2Å; D273-L276 PolarHBondContact O-N 3.44Å; D273-G277 PolarHBondContact O-N 2.95Å; D273-V314 HydrophobicContact CB-CG1 4.3Å; D273-V314 WeakPolarHBondContact O-CG1 3.47Å; D273-V314 WeakPolarHBondContact OD1-CG1 3.35Å; D273-N315 PolarHBondContact OD1-N 3.48Å; D273-N315 PolarHBondContact OD1-OD1 2.89Å; D273-S318 VanDerWaalsContact CA-OG 3.22Å; D273-S318 WeakPolarHBondContact CA-OG 3.29Å; D273-S318 PolarHBondContact N-OG 3.45Å
274S95.8Very high95.8Very high14 Ų1429.6 Ų29.610%0.09815%0.154CC..Hα-helixtrans-61.2-40176.2-670000112.9I205 G217 V219 S270 M271 L272 A278I205-S274 WeakPolarHBondContact CG2-O 3.36Å; G217-S274 WeakPolarHBondContact CA-O 3.2Å; V219-S274 WeakPolarHBondContact CG1-OG 3.18Å; S270-S274 VanDerWaalsContact O-CB 3.29Å; S270-S274 WeakPolarHBondContact O-CB 3.24Å; S270-S274 PolarHBondContact O-N 3.36Å; S270-S274 PolarHBondContact O-OG 3.34Å; M271-S274 PolarHBondContact O-N 3.4Å; L272-S274 VanDerWaalsContact C-N 3.33Å; L272-S274 PolarHBondContact O-N 2.92Å; S274-A278 WeakPolarHBondContact O-CB 3.38Å; S274-A278 PolarHBondContact O-N 2.57Å
275L96.8Very high95.5Very high74 Ų7430.6 Ų30.639%0.38715%0.154SC..Hα-helixtrans-65.4-49.7178-175.781.9000110.6I205 T206 M271 L272 D273 G277 A278 H279I205-L275 HydrophobicContact CG2-CB 4.49Å; T206-L275 HydrophobicContact CG2-CD1 4.21Å; M271-L275 WeakPolarHBondContact O-CB 3.43Å; M271-L275 PolarHBondContact O-N 2.91Å; L272-L275 PolarHBondContact O-N 2.86Å; D273-L275 VanDerWaalsContact C-N 3.33Å; D273-L275 PolarHBondContact O-N 3.2Å; L275-G277 VanDerWaalsContact C-N 3.34Å; L275-A278 PolarHBondContact O-N 3.36Å; L275-H279 PolarHBondContact O-N 3.28Å; L275-H279 PolarHBondContact O-ND1 3.18Å
276L94.4Very high95.3Very high38 Ų3830.8 Ų30.820%0.19916%0.155CC..Hα-helixtrans-64.1-41.3178.2-73.1178.2000110.6L272 D273 H279 M280 V314 F317L272-L276 WeakPolarHBondContact O-CB 3.2Å; L272-L276 WeakPolarHBondContact O-CG 3.35Å; L272-L276 PolarHBondContact O-N 3.47Å; D273-L276 PolarHBondContact O-N 3.44Å; L276-H279 PolarHBondContact O-N 3.49Å; L276-M280 WeakPolarHBondContact O-CA 3.42Å; L276-M280 VanDerWaalsContact O-CB 3.28Å; L276-M280 WeakPolarHBondContact O-CB 3.23Å; L276-M280 PolarHBondContact O-N 3.03Å; L276-V314 HydrophobicContact CB-CG1 3.66Å; L276-V314 HydrophobicContact CB-CG2 4.49Å; L276-V314 HydrophobicContact CD1-CG1 4.4Å; L276-F317 HydrophobicContact CD1-CB 4.07Å
277G94Very high94.9Very high0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-61.1-45.2176.400000113D273 L275 H279 Q281D273-G277 PolarHBondContact O-N 2.95Å; L275-G277 VanDerWaalsContact C-N 3.34Å; G277-H279 PolarHBondContact O-N 3.22Å; G277-H279 VanDerWaalsContact O-N 3.15Å; G277-Q281 WeakPolarHBondContact O-CB 3.32Å; G277-Q281 PolarHBondContact O-N 3.47Å
278A93.9Very high94.5Very high7 Ų736.9 Ų36.96%0.05820%0.202CC..Hα-helixtrans-60-27176.300000113.9L204 I205 T206 S274 L275 G305L204-A278 HydrophobicContact CD1-CB 3.92Å; I205-A278 HydrophobicContact CG2-CB 4.18Å; T206-A278 HydrophobicContact CG2-CB 3.71Å; S274-A278 WeakPolarHBondContact O-CB 3.38Å; S274-A278 PolarHBondContact O-N 2.57Å; L275-A278 PolarHBondContact O-N 3.36Å; A278-G305 WeakPolarHBondContact O-CA 3.36Å; A278-G305 PolarHBondContact O-N 3.48Å
279H93.4Very high94Very high98 Ų9837.4 Ų37.445%0.45420%0.204SC..Hα-helixtrans-97.9-42.4-178.8-69.992.7000113.5T206 L275 L276 G277 G305 K306T206-H279 WeakPolarHBondContact CG2-CE1 3.3Å; L275-H279 PolarHBondContact O-N 3.28Å; L275-H279 PolarHBondContact O-ND1 3.18Å; L276-H279 PolarHBondContact O-N 3.49Å; G277-H279 PolarHBondContact O-N 3.22Å; G277-H279 VanDerWaalsContact O-N 3.15Å; H279-G305 WeakPolarHBondContact O-CA 3.46Å; H279-K306 PolarHBondContact O-N 3.03Å
280M92.4Very high93.6Very high65 Ų6539.6 Ų39.632%0.3223%0.227SC..Hα-helixtrans-112.3-7.1-163.7-57.5-62.5-169.500114.1L276 K306 I308 M309L276-M280 WeakPolarHBondContact O-CA 3.42Å; L276-M280 VanDerWaalsContact O-CB 3.28Å; L276-M280 WeakPolarHBondContact O-CB 3.23Å; L276-M280 PolarHBondContact O-N 3.03Å; M280-K306 CarbonylContact C-O 3.54Å; M280-I308 PolarHBondContact O-N 2.9Å; M280-I308 HydrophobicContact SD-CB 4.42Å; M280-I308 HydrophobicContact SD-CD1 3.73Å; M280-I308 HydrophobicContact SD-CG2 4.37Å; M280-M309 HydrophobicContact CB-CB 4.26Å; M280-M309 HydrophobicContact CB-CG 4.3Å; M280-M309 HydrophobicContact CB-SD 4.35Å; M280-M309 PolarHBondContact O-N 2.87Å
281Q92.4Very high93.3Very high6 Ų641.8 Ų41.83%0.02824%0.236CC..SBendtrans-116.2129.8175.3-60.7171.7-39.400110.4N216 G277 S283 G305 K306 M309 D310 V314N216-Q281 HydrophobicContact CB-CB 4.12Å; N216-Q281 WeakPolarHBondContact ND2-CB 3.5Å; G277-Q281 WeakPolarHBondContact O-CB 3.32Å; G277-Q281 PolarHBondContact O-N 3.47Å; Q281-S283 PolarHBondContact O-N 3.18Å; Q281-G305 VanDerWaalsContact O-CA 3.31Å; Q281-G305 WeakPolarHBondContact O-CA 3.28Å; Q281-K306 CarbonylContact C-O 3.52Å; Q281-K306 VanDerWaalsContact C-O 3.27Å; Q281-K306 WeakPolarHBondContact CA-O 3.47Å; Q281-K306 PolarHBondContact N-O 3.35Å; Q281-M309 WeakPolarHBondContact CG-O 3.28Å; Q281-D310 PolarHBondContact NE2-O 3.44Å; Q281-V314 HydrophobicContact CG-CG2 3.6Å; Q281-V314 VanDerWaalsContact NE2-CG2 3.27Å
282Y93.6Very high93Very high10 Ų1038.9 Ų38.94%0.03922%0.222CC..  trans-67.5136.7176.1179.1-90.3000110.9N216 S294 Y295 E296 T300 R302 K306N216-Y282 PolarHBondContact ND2-O 2.85Å; Y282-S294 WeakPolarHBondContact CD1-O 3.48Å; Y282-Y295 VanDerWaalsContact CE1-C 3.48Å; Y282-Y295 WeakPolarHBondContact CE1-O 3.38Å; Y282-E296 HydrophobicContact CD1-CG 4.5Å; Y282-E296 HydrophobicContact CD2-CG 3.98Å; Y282-E296 HydrophobicContact CE1-CG 4Å; Y282-E296 HydrophobicContact CE2-CG 3.41Å; Y282-E296 VanDerWaalsContact CE2-CG 3.41Å; Y282-E296 WeakPolarHBondContact CE2-OE1 3.35Å; Y282-E296 HydrophobicContact CG-CG 4.49Å; Y282-E296 VanDerWaalsContact CZ-CG 3.41Å; Y282-T300 PolarHBondContact OH-OG1 3.42Å; Y282-R302 HydrophobicContact CD2-CG 4.39Å; Y282-R302 HydrophobicContact CE2-CB 4.02Å; Y282-R302 HydrophobicContact CE2-CG 3.73Å; Y282-K306 PolarHBondContact N-O 3.43Å; Y282-K306 VanDerWaalsContact N-O 3.1Å
283S93.5Very high92.8Very high0 Ų036.6 Ų36.60%021%0.21CC..EExtended strand (participates in β ladder)trans-133.7123.4164.9-70.20000109.8N216 Q281 I303 C304N216-S283 VanDerWaalsContact CB-OG 3.3Å; N216-S283 WeakPolarHBondContact CB-OG 3.14Å; N216-S283 PolarHBondContact N-OG 2.99Å; N216-S283 PolarHBondContact ND2-OG 3.32Å; N216-S283 VanDerWaalsContact ND2-OG 3.1Å; Q281-S283 PolarHBondContact O-N 3.18Å; S283-I303 WeakPolarHBondContact O-CA 3.39Å; S283-I303 WeakPolarHBondContact O-CB 3.45Å; S283-I303 PolarHBondContact O-N 3.33Å; S283-C304 PolarHBondContact N-O 2.91Å; S283-C304 VanDerWaalsContact N-O 3.1Å; S283-C304 PolarHBondContact O-N 3.4Å
284G93.5Very high92.5Very high0 Ų038.8 Ų38.80%023%0.226CC..EExtended strand (participates in β ladder)trans-128.2145.8174.900000111.5V292 V293 R301G284-V292 CarbonylContact O-C 3.55Å; G284-V292 WeakPolarHBondContact O-CA 3.48Å; G284-V293 PolarHBondContact N-O 2.92Å; G284-V293 WeakPolarHBondContact O-CG2 3.28Å; G284-V293 PolarHBondContact O-N 3.36Å; G284-R301 CarbonylContact C-O 3.38Å; G284-R301 WeakPolarHBondContact CA-O 3.33Å
285F94.1Very high92.1Very high73 Ų7343.6 Ų43.632%0.3224%0.243SC..EExtended strand (participates in β ladder)trans-89.9117.9171.9-170.2-99.1000109.7P212 V292 T300 R301 I303P212-F285 HydrophobicContact CB-CD2 4.26Å; P212-F285 HydrophobicContact CG-CD2 4.17Å; F285-V292 HydrophobicContact CD2-CG2 4.25Å; F285-T300 WeakPolarHBondContact O-CA 3.45Å; F285-R301 PolarHBondContact N-O 3.01Å; F285-R301 PolarHBondContact O-N 3.45Å; F285-I303 HydrophobicContact CB-CD1 4.12Å; F285-I303 HydrophobicContact CB-CG1 4.39Å
286D93.3Very high91.7Very high4 Ų446.3 Ų46.32%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-91.6116.1176.6-168.9-33.1000110.4S288 I289 G290 K291 V293 T299 T300D286-S288 PolarHBondContact O-N 2.96Å; D286-S288 WeakPolarHBondContact OD1-CB 3.47Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 3.34Å; D286-I289 HydrophobicContact CB-CD1 4Å; D286-I289 HydrophobicContact CB-CG1 3.63Å; D286-G290 WeakPolarHBondContact O-CA 3.09Å; D286-G290 PolarHBondContact O-N 3.36Å; D286-K291 PolarHBondContact N-O 3.04Å; D286-V293 HydrophobicContact CB-CG1 4.18Å; D286-V293 HydrophobicContact CB-CG2 4.16Å; D286-T299 VanDerWaalsContact CG-OG1 3.25Å; D286-T299 VanDerWaalsContact OD1-CB 3.3Å; D286-T299 WeakPolarHBondContact OD1-CB 3.35Å; D286-T299 PolarHBondContact OD1-OG1 3.42Å; D286-T299 PolarHBondContact OD2-OG1 2.85Å; D286-T300 HydrophobicContact CB-CG2 3.84Å
287S90.8Very high91.4Very high91 Ų9146.4 Ų46.464%0.63626%0.258SS*.THydrogen-bonded Turntrans-69-21.6-176.9-53.60000113.2T299S287-T299 PolarHBondContact N-O 3.47Å; S287-T299 VanDerWaalsContact N-O 3.16Å
288S89.4Confident91.2Very high84 Ų8451.8 Ų51.859%0.58730%0.303SS*.THydrogen-bonded Turntrans-76.9-36.2-17869.40000112.8D286D286-S288 PolarHBondContact O-N 2.96Å; D286-S288 WeakPolarHBondContact OD1-CB 3.47Å; D286-S288 PolarHBondContact OD1-N 3.39Å; D286-S288 PolarHBondContact OD1-OG 3.34Å
289I87.2Confident91Very high82 Ų8254.5 Ų54.542%0.42132%0.318SS..THydrogen-bonded Turntrans-105-12.8-179.257.7170.6000113A124 D286 K291 V293A124-I289 HydrophobicContact CB-CD1 4.49Å; D286-I289 HydrophobicContact CB-CD1 4Å; D286-I289 HydrophobicContact CB-CG1 3.63Å; I289-K291 VanDerWaalsContact C-N 3.35Å; I289-K291 HydrophobicContact CD1-CB 4.1Å; I289-K291 HydrophobicContact CG1-CB 4.24Å; I289-V293 HydrophobicContact CD1-CG1 3.53Å
290G89.1Confident91Very high47 Ų4751 Ų5149%0.48530%0.304SS..THydrogen-bonded Turntrans69.228.917900000114.1D286D286-G290 WeakPolarHBondContact O-CA 3.09Å; D286-G290 PolarHBondContact O-N 3.36Å
291K91.8Very high91Very high49 Ų4957.4 Ų57.421%0.21333%0.325CS..EExtended strand (participates in β ladder)trans-133.2160.2-175.8-64.7-175180-167.70111.7K120 K121 D123 A124 D286 I289K120-K291 PolarHBondContact O-NZ 2.86Å; K121-K291 WeakPolarHBondContact O-CE 3.36Å; D123-K291 PolarHBondContact O-NZ 3.47Å; A124-K291 HydrophobicContact CB-CD 4.22Å; D286-K291 PolarHBondContact N-O 3.04Å; I289-K291 VanDerWaalsContact C-N 3.35Å; I289-K291 HydrophobicContact CD1-CB 4.1Å; I289-K291 HydrophobicContact CG1-CB 4.24Å
292V91.8Very high91.1Very high11 Ų1164 Ų647%0.06735%0.349CS..EExtended strand (participates in β ladder)trans-77.1137166.8-176.10000109.4P212 A213 G214 G284 F285 I303P212-V292 HydrophobicContact CB-CG2 3.78Å; A213-V292 WeakPolarHBondContact O-CG2 3.27Å; G214-V292 WeakPolarHBondContact O-CG1 3.16Å; G284-V292 CarbonylContact O-C 3.55Å; G284-V292 WeakPolarHBondContact O-CA 3.48Å; F285-V292 HydrophobicContact CD2-CG2 4.25Å; V292-I303 HydrophobicContact CG1-CD1 4.22Å; V292-I303 HydrophobicContact CG2-CD1 3.99Å
293V92.4Very high91Very high6 Ų666 Ų664%0.03636%0.36CS..EExtended strand (participates in β ladder)trans-128.7157.8179.1-61.80000111.6A124 G284 D286 I289 Y295 T300A124-V293 HydrophobicContact CB-CG1 4.2Å; G284-V293 PolarHBondContact N-O 2.92Å; G284-V293 WeakPolarHBondContact O-CG2 3.28Å; G284-V293 PolarHBondContact O-N 3.36Å; D286-V293 HydrophobicContact CB-CG1 4.18Å; D286-V293 HydrophobicContact CB-CG2 4.16Å; I289-V293 HydrophobicContact CD1-CG1 3.53Å; V293-Y295 HydrophobicContact CB-CD1 3.99Å; V293-Y295 HydrophobicContact CB-CE1 3.73Å; V293-Y295 HydrophobicContact CG1-CE1 3.88Å; V293-Y295 HydrophobicContact CG2-CD1 4.44Å; V293-Y295 HydrophobicContact CG2-CE1 4.31Å; V293-Y295 HydrophobicContact CG2-CE2 4.38Å; V293-Y295 WeakPolarHBondContact CG2-O 3.43Å; V293-T300 HydrophobicContact CG2-CG2 3.51Å
294S89Confident90.9Very high55 Ų5566.6 Ų66.639%0.38536%0.364SS..SBendtrans-92-0-179.359.90000114.1E125 Y282E125-S294 WeakPolarHBondContact OE1-CB 3.25Å; E125-S294 PolarHBondContact OE1-OG 2.86Å; Y282-S294 WeakPolarHBondContact CD1-O 3.48Å
295Y87.8Confident90.8Very high116 Ų11666.9 Ų66.946%0.45537%0.367SS..SBendtrans-124.4155.7-176.261.2-94.3000113.1Y282 V293Y282-Y295 VanDerWaalsContact CE1-C 3.48Å; Y282-Y295 WeakPolarHBondContact CE1-O 3.38Å; V293-Y295 HydrophobicContact CB-CD1 3.99Å; V293-Y295 HydrophobicContact CB-CE1 3.73Å; V293-Y295 HydrophobicContact CG1-CE1 3.88Å; V293-Y295 HydrophobicContact CG2-CD1 4.44Å; V293-Y295 HydrophobicContact CG2-CE1 4.31Å; V293-Y295 HydrophobicContact CG2-CE2 4.38Å; V293-Y295 WeakPolarHBondContact CG2-O 3.43Å
296E87.9Confident90.6Very high130 Ų13069.1 Ų69.161%0.60738%0.376SS*.  trans-86.8132.3173.5-70.2-178-171.500110.8Y282Y282-E296 HydrophobicContact CD1-CG 4.5Å; Y282-E296 HydrophobicContact CD2-CG 3.98Å; Y282-E296 HydrophobicContact CE1-CG 4Å; Y282-E296 HydrophobicContact CE2-CG 3.41Å; Y282-E296 VanDerWaalsContact CE2-CG 3.41Å; Y282-E296 WeakPolarHBondContact CE2-OE1 3.35Å; Y282-E296 HydrophobicContact CG-CG 4.49Å; Y282-E296 VanDerWaalsContact CZ-CG 3.41Å
297S88.4Confident90.3Very high41 Ų4173.4 Ų73.429%0.28741%0.405SS..  trans-146.7167.6174.3910000110.8T299 T300S297-T299 PolarHBondContact O-N 2.72Å; S297-T299 VanDerWaalsContact O-N 3.14Å; S297-T299 PolarHBondContact OG-N 2.92Å; S297-T299 PolarHBondContact OG-OG1 2.96Å; S297-T299 VanDerWaalsContact OG-OG1 3.04Å; S297-T300 PolarHBondContact N-OG1 3.29Å; S297-T300 PolarHBondContact O-N 3.19Å; S297-T300 VanDerWaalsContact O-N 3.1Å; S297-T300 PolarHBondContact O-OG1 2.91Å; S297-T300 VanDerWaalsContact OG-CG2 3.22Å; S297-T300 WeakPolarHBondContact OG-CG2 3.44Å; S297-T300 PolarHBondContact OG-N 3.44Å
298A89.3Confident90.1Very high113 Ų11374 Ų7493%0.93440%0.399SS*.THydrogen-bonded Turntrans-60.3-23178.300000114
299T91Very high89.9Confident63 Ų6372.7 Ų72.739%0.38739%0.385SS..THydrogen-bonded Turntrans-99.1-2.3-179.651.30000113.2D286 S287 S297D286-T299 VanDerWaalsContact CG-OG1 3.25Å; D286-T299 VanDerWaalsContact OD1-CB 3.3Å; D286-T299 WeakPolarHBondContact OD1-CB 3.35Å; D286-T299 PolarHBondContact OD1-OG1 3.42Å; D286-T299 PolarHBondContact OD2-OG1 2.85Å; S287-T299 PolarHBondContact N-O 3.47Å; S287-T299 VanDerWaalsContact N-O 3.16Å; S297-T299 PolarHBondContact O-N 2.72Å; S297-T299 VanDerWaalsContact O-N 3.14Å; S297-T299 PolarHBondContact OG-N 2.92Å; S297-T299 PolarHBondContact OG-OG1 2.96Å; S297-T299 VanDerWaalsContact OG-OG1 3.04Å
300T92.4Very high90Very high25 Ų2572.8 Ų72.815%0.15339%0.386CS..EExtended strand (participates in β ladder)trans-90.9132.1-178.362.30000112.5Y282 F285 D286 V293 S297Y282-T300 PolarHBondContact OH-OG1 3.42Å; F285-T300 WeakPolarHBondContact O-CA 3.45Å; D286-T300 HydrophobicContact CB-CG2 3.84Å; V293-T300 HydrophobicContact CG2-CG2 3.51Å; S297-T300 PolarHBondContact N-OG1 3.29Å; S297-T300 PolarHBondContact O-N 3.19Å; S297-T300 VanDerWaalsContact O-N 3.1Å; S297-T300 PolarHBondContact O-OG1 2.91Å; S297-T300 VanDerWaalsContact OG-CG2 3.22Å; S297-T300 WeakPolarHBondContact OG-CG2 3.44Å; S297-T300 PolarHBondContact OG-N 3.44Å
301R92.9Very high90Very high200 Ų20074 Ų7476%0.75538%0.381SS*.EExtended strand (participates in β ladder)trans-104.4114.5167.9-172.4-179.3-173.7-172.62.7109.1G284 F285 I303G284-R301 CarbonylContact C-O 3.38Å; G284-R301 WeakPolarHBondContact CA-O 3.33Å; F285-R301 PolarHBondContact N-O 3.01Å; F285-R301 PolarHBondContact O-N 3.45Å; R301-I303 PolarHBondContact O-N 3.01Å
302R93.6Very high89.9Confident145 Ų14572.8 Ų72.855%0.54738%0.377SS..EExtended strand (participates in β ladder)trans-56.3135.4178.1-176.9175.9172.3-140.6-3.1111.8Y282 G305Y282-R302 HydrophobicContact CD2-CG 4.39Å; Y282-R302 HydrophobicContact CE2-CB 4.02Å; Y282-R302 HydrophobicContact CE2-CG 3.73Å; R302-G305 VanDerWaalsContact CZ-O 3.27Å; R302-G305 PolarHBondContact NE-O 2.91Å; R302-G305 PolarHBondContact NH2-O 3.29Å
303I92.4Very high89.7Confident52 Ų5273.4 Ų73.427%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-102.3-58.9173.9-55.3167.3000109.4V211 P212 T215 S283 F285 V292 R301V211-I303 HydrophobicContact CB-CG2 4.46Å; V211-I303 HydrophobicContact CG1-CG2 3.98Å; P212-I303 HydrophobicContact CG-CD1 4.25Å; T215-I303 HydrophobicContact CG2-CB 4.42Å; T215-I303 HydrophobicContact CG2-CD1 4.41Å; T215-I303 HydrophobicContact CG2-CG2 3.81Å; S283-I303 WeakPolarHBondContact O-CA 3.39Å; S283-I303 WeakPolarHBondContact O-CB 3.45Å; S283-I303 PolarHBondContact O-N 3.33Å; F285-I303 HydrophobicContact CB-CD1 4.12Å; F285-I303 HydrophobicContact CB-CG1 4.39Å; V292-I303 HydrophobicContact CG1-CD1 4.22Å; V292-I303 HydrophobicContact CG2-CD1 3.99Å; R301-I303 PolarHBondContact O-N 3.01Å
304C91.8Very high89.8Confident11 Ų1173.1 Ų73.17%0.07438%0.382CS..EExtended strand (participates in β ladder)trans-155.8176.2-176.363.90000113.2L204 N216 S283L204-C304 HydrophobicContact CD1-CB 4.33Å; L204-C304 HydrophobicContact CD2-CB 4.04Å; N216-C304 PolarHBondContact O-SG 2.88Å; S283-C304 PolarHBondContact N-O 2.91Å; S283-C304 VanDerWaalsContact N-O 3.1Å; S283-C304 PolarHBondContact O-N 3.4Å
305G91.2Very high89.9Confident6 Ų670.8 Ų70.86%0.06237%0.365CS..  trans63.3-176.517500000115.5A278 H279 Q281 R302A278-G305 WeakPolarHBondContact O-CA 3.36Å; A278-G305 PolarHBondContact O-N 3.48Å; H279-G305 WeakPolarHBondContact O-CA 3.46Å; Q281-G305 VanDerWaalsContact O-CA 3.31Å; Q281-G305 WeakPolarHBondContact O-CA 3.28Å; R302-G305 VanDerWaalsContact CZ-O 3.27Å; R302-G305 PolarHBondContact NE-O 2.91Å; R302-G305 PolarHBondContact NH2-O 3.29Å
306K88.9Confident90Very high120 Ų12067.3 Ų67.352%0.52235%0.354SS..  trans-131.7153.8178.9-64.4-179.9-178.7178.70108H279 M280 Q281 Y282 I308H279-K306 PolarHBondContact O-N 3.03Å; M280-K306 CarbonylContact C-O 3.54Å; Q281-K306 CarbonylContact C-O 3.52Å; Q281-K306 VanDerWaalsContact C-O 3.27Å; Q281-K306 WeakPolarHBondContact CA-O 3.47Å; Q281-K306 PolarHBondContact N-O 3.35Å; Y282-K306 PolarHBondContact N-O 3.43Å; Y282-K306 VanDerWaalsContact N-O 3.1Å; K306-I308 HydrophobicContact CB-CD1 3.8Å; K306-I308 HydrophobicContact CB-CG1 3.79Å; K306-I308 HydrophobicContact CD-CD1 3.88Å; K306-I308 HydrophobicContact CG-CD1 4.47Å; K306-I308 PolarHBondContact O-N 3.38Å
307P87.4Confident90.3Very high95 Ų9565.8 Ų65.862%0.61735%0.346SS*.THydrogen-bonded Turntrans-78.559.1178.233.2-35.9000111.2
308I86.5Confident90.6Very high102 Ų10263.9 Ų63.952%0.52333%0.332SS..THydrogen-bonded Turntrans-94.9-42.2-178.4-61.5172.1000110.4M280 K306M280-I308 PolarHBondContact O-N 2.9Å; M280-I308 HydrophobicContact SD-CB 4.42Å; M280-I308 HydrophobicContact SD-CD1 3.73Å; M280-I308 HydrophobicContact SD-CG2 4.37Å; K306-I308 HydrophobicContact CB-CD1 3.8Å; K306-I308 HydrophobicContact CB-CG1 3.79Å; K306-I308 HydrophobicContact CD-CD1 3.88Å; K306-I308 HydrophobicContact CG-CD1 4.47Å; K306-I308 PolarHBondContact O-N 3.38Å
309M86.1Confident90.9Very high57 Ų5758.5 Ų58.528%0.28129%0.288SS..  trans-129.7154.4-177.9-68-173.8-178.800111.1M280 Q281 A313 V314 F317M280-M309 HydrophobicContact CB-CB 4.26Å; M280-M309 HydrophobicContact CB-CG 4.3Å; M280-M309 HydrophobicContact CB-SD 4.35Å; M280-M309 PolarHBondContact O-N 2.87Å; Q281-M309 WeakPolarHBondContact CG-O 3.28Å; M309-A313 HydrophobicContact CB-CB 4.06Å; M309-A313 HydrophobicContact CG-CB 4.23Å; M309-A313 HydrophobicContact SD-CB 4.35Å; M309-V314 HydrophobicContact CB-CG2 3.94Å; M309-V314 HydrophobicContact SD-CG2 4.34Å; M309-F317 HydrophobicContact CE-CD2 3.78Å; M309-F317 HydrophobicContact CE-CE2 3.43Å; M309-F317 VanDerWaalsContact CE-CE2 3.43Å; M309-F317 HydrophobicContact CE-CZ 4.09Å; M309-F317 HydrophobicContact SD-CD2 3.74Å; M309-F317 HydrophobicContact SD-CE2 3.87Å
310D88.2Confident90.9Very high85 Ų8557.8 Ų57.846%0.45528%0.283SS..  trans-95.3-177.6169.477.1-14.5000111.1Q281 N312 A313 V314Q281-D310 PolarHBondContact NE2-O 3.44Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-N312 PolarHBondContact O-N 2.89Å; D310-N312 PolarHBondContact OD1-N 3.5Å; D310-N312 PolarHBondContact OD2-ND2 2.93Å; D310-A313 VanDerWaalsContact OD1-CB 3.31Å; D310-A313 WeakPolarHBondContact OD1-CB 3.33Å; D310-A313 PolarHBondContact OD1-N 3.2Å; D310-V314 WeakPolarHBondContact O-CG2 3.3Å; D310-V314 PolarHBondContact O-N 3.41Å
311N89.4Confident91.1Very high72 Ų7259.5 Ų59.539%0.38529%0.291SS..Hα-helixtrans-65.4-30.1178.8-162.352.6000114.2N315N311-N315 PolarHBondContact ND2-ND2 3.33Å; N311-N315 WeakPolarHBondContact O-CB 3.36Å; N311-N315 PolarHBondContact O-N 3.31Å; N311-N315 PolarHBondContact O-ND2 2.9Å
312N89.4Confident91.3Very high24 Ų2450.3 Ų50.313%0.12826%0.257CS..Hα-helixtrans-75.1-42.3-177.3-54-57.8000110.6V135 Q136 C139 D310 N315 L316V135-N312 HydrophobicContact CG1-CB 4.04Å; Q136-N312 WeakPolarHBondContact CG-OD1 3.45Å; C139-N312 HydrophobicContact CB-CB 4.16Å; C139-N312 VanDerWaalsContact CB-O 3.3Å; C139-N312 WeakPolarHBondContact CB-O 3.45Å; C139-N312 PolarHBondContact SG-O 2.85Å; C139-N312 VanDerWaalsContact SG-O 3.38Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-N312 PolarHBondContact O-N 2.89Å; D310-N312 PolarHBondContact OD1-N 3.5Å; D310-N312 PolarHBondContact OD2-ND2 2.93Å; N312-N315 PolarHBondContact O-N 2.72Å; N312-L316 WeakPolarHBondContact O-CB 3.24Å; N312-L316 PolarHBondContact O-N 3.32Å
313A88.4Confident91.4Very high24 Ų2443.6 Ų43.620%0.19823%0.233CC..Hα-helixtrans-62.6-46176.700000111.8M309 D310 N315 L316 F317M309-A313 HydrophobicContact CB-CB 4.06Å; M309-A313 HydrophobicContact CG-CB 4.23Å; M309-A313 HydrophobicContact SD-CB 4.35Å; D310-A313 VanDerWaalsContact OD1-CB 3.31Å; D310-A313 WeakPolarHBondContact OD1-CB 3.33Å; D310-A313 PolarHBondContact OD1-N 3.2Å; A313-N315 PolarHBondContact O-N 3.49Å; A313-L316 WeakPolarHBondContact O-CB 3.35Å; A313-L316 PolarHBondContact O-N 2.91Å; A313-F317 WeakPolarHBondContact O-CD2 3.25Å; A313-F317 PolarHBondContact O-N 3.36Å
314V92.9Very high91.5Very high0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-61.2-46.5178.8177.40000111.3D273 L276 Q281 M309 D310 L316 F317 S318D273-V314 HydrophobicContact CB-CG1 4.3Å; D273-V314 WeakPolarHBondContact O-CG1 3.47Å; D273-V314 WeakPolarHBondContact OD1-CG1 3.35Å; L276-V314 HydrophobicContact CB-CG1 3.66Å; L276-V314 HydrophobicContact CB-CG2 4.49Å; L276-V314 HydrophobicContact CD1-CG1 4.4Å; Q281-V314 HydrophobicContact CG-CG2 3.6Å; Q281-V314 VanDerWaalsContact NE2-CG2 3.27Å; M309-V314 HydrophobicContact CB-CG2 3.94Å; M309-V314 HydrophobicContact SD-CG2 4.34Å; D310-V314 WeakPolarHBondContact O-CG2 3.3Å; D310-V314 PolarHBondContact O-N 3.41Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 2.9Å; V314-F317 PolarHBondContact O-N 2.87Å; V314-S318 WeakPolarHBondContact O-CB 3.35Å; V314-S318 PolarHBondContact O-N 2.93Å; V314-S318 PolarHBondContact O-OG 3.26Å
315N92Very high91.6Very high6 Ų651.5 Ų51.53%0.03227%0.268CS..Hα-helixtrans-57-44.1175.1-87.7-62.3000112.4D187 D273 N311 N312 A313 S319D187-N315 PolarHBondContact OD2-OD1 3.28Å; D273-N315 PolarHBondContact OD1-N 3.48Å; D273-N315 PolarHBondContact OD1-OD1 2.89Å; N311-N315 PolarHBondContact ND2-ND2 3.33Å; N311-N315 WeakPolarHBondContact O-CB 3.36Å; N311-N315 PolarHBondContact O-N 3.31Å; N311-N315 PolarHBondContact O-ND2 2.9Å; N312-N315 PolarHBondContact O-N 2.72Å; A313-N315 PolarHBondContact O-N 3.49Å; N315-S319 WeakPolarHBondContact O-CB 3.4Å; N315-S319 PolarHBondContact O-N 3.45Å; N315-S319 PolarHBondContact O-OG 3.43Å
316L89.6Confident91.9Very high42 Ų4252 Ų5222%0.2227%0.269CS..Hα-helixtrans-59.8-52.8176.4177.862.2000111C139 V143 N312 A313 V314 S318 S319 V320C139-L316 HydrophobicContact CB-CB 4.11Å; V143-L316 HydrophobicContact CG2-CD1 3.69Å; N312-L316 WeakPolarHBondContact O-CB 3.24Å; N312-L316 PolarHBondContact O-N 3.32Å; A313-L316 WeakPolarHBondContact O-CB 3.35Å; A313-L316 PolarHBondContact O-N 2.91Å; V314-L316 VanDerWaalsContact C-N 3.31Å; V314-L316 PolarHBondContact O-N 2.9Å; L316-S318 PolarHBondContact O-N 2.93Å; L316-S319 PolarHBondContact O-N 3.29Å; L316-S319 PolarHBondContact O-OG 2.92Å; L316-V320 HydrophobicContact CD1-CG2 4.38Å; L316-V320 WeakPolarHBondContact O-CG2 3.26Å; L316-V320 PolarHBondContact O-N 3.41Å
317F93.8Very high92.3Very high99 Ų9946.2 Ų46.243%0.43424%0.244SC..Hα-helixtrans-62.3-42.7-179.5-78.2-69.7000112.7L276 M309 A313 V314 S319 V320 L321L276-F317 HydrophobicContact CD1-CB 4.07Å; M309-F317 HydrophobicContact CE-CD2 3.78Å; M309-F317 HydrophobicContact CE-CE2 3.43Å; M309-F317 VanDerWaalsContact CE-CE2 3.43Å; M309-F317 HydrophobicContact CE-CZ 4.09Å; M309-F317 HydrophobicContact SD-CD2 3.74Å; M309-F317 HydrophobicContact SD-CE2 3.87Å; A313-F317 WeakPolarHBondContact O-CD2 3.25Å; A313-F317 PolarHBondContact O-N 3.36Å; V314-F317 PolarHBondContact O-N 2.87Å; F317-S319 VanDerWaalsContact C-N 3.33Å; F317-S319 PolarHBondContact O-N 3.34Å; F317-V320 PolarHBondContact O-N 2.83Å; F317-L321 VanDerWaalsContact O-CG 3.32Å; F317-L321 WeakPolarHBondContact O-CG 3.45Å; F317-L321 PolarHBondContact O-N 2.73Å
318S95.6Very high92.5Very high0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-58.4-46.2175.6-59.50000111.2D273 V314 L316 V320 L321 V322D273-S318 VanDerWaalsContact CA-OG 3.22Å; D273-S318 WeakPolarHBondContact CA-OG 3.29Å; D273-S318 PolarHBondContact N-OG 3.45Å; V314-S318 WeakPolarHBondContact O-CB 3.35Å; V314-S318 PolarHBondContact O-N 2.93Å; V314-S318 PolarHBondContact O-OG 3.26Å; L316-S318 PolarHBondContact O-N 2.93Å; S318-V320 PolarHBondContact O-N 2.86Å; S318-L321 PolarHBondContact O-N 3.32Å; S318-V322 WeakPolarHBondContact O-CG2 3.28Å; S318-V322 PolarHBondContact O-N 2.83Å
319S94.5Very high92.9Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-64.3-40178.574.80000112.8N315 L316 F317 V322 A323N315-S319 WeakPolarHBondContact O-CB 3.4Å; N315-S319 PolarHBondContact O-N 3.45Å; N315-S319 PolarHBondContact O-OG 3.43Å; L316-S319 PolarHBondContact O-N 3.29Å; L316-S319 PolarHBondContact O-OG 2.92Å; F317-S319 VanDerWaalsContact C-N 3.33Å; F317-S319 PolarHBondContact O-N 3.34Å; S319-V322 PolarHBondContact O-N 3.42Å; S319-A323 WeakPolarHBondContact O-CB 3.36Å; S319-A323 PolarHBondContact O-N 2.92Å
320V92.5Very high93.2Very high48 Ų4841.5 Ų41.529%0.29122%0.223SC..Hα-helixtrans-60.7-48.3174.41700000110.6V143 L316 F317 S318 V322 A323 L324V143-V320 HydrophobicContact CG2-CG2 3.47Å; V143-V320 VanDerWaalsContact CG2-CG2 3.47Å; L316-V320 HydrophobicContact CD1-CG2 4.38Å; L316-V320 WeakPolarHBondContact O-CG2 3.26Å; L316-V320 PolarHBondContact O-N 3.41Å; F317-V320 PolarHBondContact O-N 2.83Å; S318-V320 PolarHBondContact O-N 2.86Å; V320-V322 PolarHBondContact O-N 3.34Å; V320-A323 PolarHBondContact O-N 3.46Å; V320-L324 HydrophobicContact CG1-CD1 3.6Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 WeakPolarHBondContact O-CB 3.29Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.27Å; V320-L324 PolarHBondContact O-N 3.19Å
321L96.4Very high93.4Very high62 Ų6242.7 Ų42.733%0.32522%0.222SC..Hα-helixtrans-62.5-45.1-179.4-68.8174.8000111.6L272 F317 S318 L324 F325L272-L321 HydrophobicContact CD1-CB 4.28Å; F317-L321 VanDerWaalsContact O-CG 3.32Å; F317-L321 WeakPolarHBondContact O-CG 3.45Å; F317-L321 PolarHBondContact O-N 2.73Å; S318-L321 PolarHBondContact O-N 3.32Å; L321-L324 PolarHBondContact O-N 2.92Å; L321-F325 HydrophobicContact CD2-CD2 4.29Å; L321-F325 HydrophobicContact CD2-CE2 3.81Å; L321-F325 VanDerWaalsContact O-CD2 3.26Å; L321-F325 WeakPolarHBondContact O-CD2 3.32Å; L321-F325 PolarHBondContact O-N 3.21Å; L321-F325 VanDerWaalsContact O-N 3.08Å
322V97.8Very high93.4Very high6 Ų642.3 Ų42.34%0.03624%0.235CC..Hα-helixtrans-61.9-46.1176.51730000110.8C183 A265 L272 S318 S319 V320 L324 L326C183-V322 HydrophobicContact CB-CB 4.3Å; C183-V322 HydrophobicContact CB-CG1 4.37Å; C183-V322 HydrophobicContact CB-CG2 4.2Å; A265-V322 HydrophobicContact CB-CG1 3.99Å; L272-V322 HydrophobicContact CD1-CG2 3.89Å; S318-V322 WeakPolarHBondContact O-CG2 3.28Å; S318-V322 PolarHBondContact O-N 2.83Å; S319-V322 PolarHBondContact O-N 3.42Å; V320-V322 PolarHBondContact O-N 3.34Å; V322-L324 VanDerWaalsContact C-N 3.33Å; V322-L324 PolarHBondContact O-N 3.42Å; V322-L326 HydrophobicContact CG1-CB 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4.02Å; V322-L326 VanDerWaalsContact O-CB 3.25Å; V322-L326 WeakPolarHBondContact O-CB 3.38Å; V322-L326 PolarHBondContact O-N 2.96Å; V322-L326 VanDerWaalsContact O-N 3.11Å
323A95.3Very high93.6Very high4 Ų448.2 Ų48.23%0.03327%0.266CS..Hα-helixtrans-61.9-38-179.900000112.7V143 L147 S176 A180 S319 V320 P327V143-A323 HydrophobicContact CG1-CB 4.02Å; L147-A323 HydrophobicContact CD1-CB 4.22Å; S176-A323 WeakPolarHBondContact CB-O 3.45Å; S176-A323 WeakPolarHBondContact O-CB 3.39Å; S176-A323 PolarHBondContact OG-O 2.86Å; S176-A323 VanDerWaalsContact OG-O 3.07Å; A180-A323 HydrophobicContact CB-CB 4.24Å; S319-A323 WeakPolarHBondContact O-CB 3.36Å; S319-A323 PolarHBondContact O-N 2.92Å; V320-A323 PolarHBondContact O-N 3.46Å; A323-P327 VanDerWaalsContact O-CD 3.27Å; A323-P327 WeakPolarHBondContact O-CD 3.4Å; A323-P327 VanDerWaalsContact O-CG 3.25Å; A323-P327 WeakPolarHBondContact O-CG 3.49Å
324L93.3Very high93.8Very high91 Ų9147.8 Ų47.848%0.47626%0.259SS..Hα-helixtrans-77.5-40.7-178.1-70.8172.9000113.3W172 V320 L321 V322W172-L324 HydrophobicContact CH2-CD2 4.24Å; W172-L324 WeakPolarHBondContact CZ2-O 3.45Å; V320-L324 HydrophobicContact CG1-CD1 3.6Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 WeakPolarHBondContact O-CB 3.29Å; V320-L324 VanDerWaalsContact O-CG 3.26Å; V320-L324 WeakPolarHBondContact O-CG 3.27Å; V320-L324 PolarHBondContact O-N 3.19Å; L321-L324 PolarHBondContact O-N 2.92Å; V322-L324 VanDerWaalsContact C-N 3.33Å; V322-L324 PolarHBondContact O-N 3.42Å
325F95.5Very high93.7Very high138 Ų13849.7 Ų49.761%0.60527%0.271SS*.Hα-helixtrans-99.5-38.8-167.8-68.1-69.4000114L321 G328L321-F325 HydrophobicContact CD2-CD2 4.29Å; L321-F325 HydrophobicContact CD2-CE2 3.81Å; L321-F325 VanDerWaalsContact O-CD2 3.26Å; L321-F325 WeakPolarHBondContact O-CD2 3.32Å; L321-F325 PolarHBondContact O-N 3.21Å; L321-F325 VanDerWaalsContact O-N 3.08Å; F325-G328 PolarHBondContact O-N 3.15Å
326L96.9Very high93.3Very high16 Ų1660.8 Ų60.88%0.08431%0.312CS..Hα-helixtrans-67.8-37-171.1-167.160.6000114.4Y261 V264 A265 L268 V322 G328 L329 A330Y261-L326 HydrophobicContact CD2-CD2 4.44Å; Y261-L326 HydrophobicContact CD2-CG 4.34Å; Y261-L326 HydrophobicContact CE2-CB 4.25Å; Y261-L326 HydrophobicContact CE2-CD2 3.87Å; Y261-L326 HydrophobicContact CE2-CG 3.6Å; V264-L326 HydrophobicContact CG1-CD1 4.35Å; A265-L326 HydrophobicContact CB-CD2 3.52Å; L268-L326 HydrophobicContact CD1-CD1 3.94Å; V322-L326 HydrophobicContact CG1-CB 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4.02Å; V322-L326 VanDerWaalsContact O-CB 3.25Å; V322-L326 WeakPolarHBondContact O-CB 3.38Å; V322-L326 PolarHBondContact O-N 2.96Å; V322-L326 VanDerWaalsContact O-N 3.11Å; L326-G328 PolarHBondContact O-N 2.9Å; L326-L329 HydrophobicContact CD1-CD1 4.2Å; L326-L329 PolarHBondContact O-N 3.25Å; L326-L329 VanDerWaalsContact O-N 3.16Å; L326-A330 PolarHBondContact O-N 3.37Å
327P96Very high93.5Very high0 Ų061.7 Ų61.70%032%0.317CS..Hα-helixtrans-61.1-33.4175.8-21.730.9000113.2W172 L175 S176 Y261 A323 L329 A330 W331W172-P327 HydrophobicContact CD2-CB 4.23Å; W172-P327 HydrophobicContact CG-CB 3.96Å; L175-P327 HydrophobicContact CB-CB 3.99Å; L175-P327 HydrophobicContact CB-CG 4.19Å; S176-P327 VanDerWaalsContact OG-CG 3.32Å; S176-P327 WeakPolarHBondContact OG-CG 3.33Å; Y261-P327 WeakPolarHBondContact OH-CD 3.3Å; Y261-P327 WeakPolarHBondContact OH-CG 3.28Å; A323-P327 VanDerWaalsContact O-CD 3.27Å; A323-P327 WeakPolarHBondContact O-CD 3.4Å; A323-P327 VanDerWaalsContact O-CG 3.25Å; A323-P327 WeakPolarHBondContact O-CG 3.49Å; P327-L329 VanDerWaalsContact C-N 3.34Å; P327-L329 PolarHBondContact O-N 3.07Å; P327-A330 WeakPolarHBondContact O-CB 3.34Å; P327-A330 PolarHBondContact O-N 3.08Å; P327-W331 PolarHBondContact O-N 3.43Å
328G93.2Very high93.5Very high29 Ų2959.7 Ų59.730%0.29931%0.311SS..Hα-helixtrans-65-36.9176.200000112.7F325 L326F325-G328 PolarHBondContact O-N 3.15Å; L326-G328 PolarHBondContact O-N 2.9Å
329L93.1Very high93.4Very high114 Ų11463.1 Ų63.160%0.59733%0.328SS*.Hα-helixtrans-70-40.6172.2-62.6176.3000111.4L326 P327 W331 G332 L333L326-L329 HydrophobicContact CD1-CD1 4.2Å; L326-L329 PolarHBondContact O-N 3.25Å; L326-L329 VanDerWaalsContact O-N 3.16Å; P327-L329 VanDerWaalsContact C-N 3.34Å; P327-L329 PolarHBondContact O-N 3.07Å; L329-W331 VanDerWaalsContact C-N 3.29Å; L329-W331 PolarHBondContact O-N 3.38Å; L329-G332 PolarHBondContact O-N 3.18Å; L329-L333 PolarHBondContact O-N 3.42Å
330A93.8Very high93.3Very high11 Ų1166.8 Ų66.89%0.09135%0.347CS..Hα-helixtrans-60.6-38.6178.600000112L175 Y261 L326 P327 G332 L333 W334L175-A330 HydrophobicContact CD1-CB 3.69Å; Y261-A330 HydrophobicContact CD2-CB 3.71Å; Y261-A330 HydrophobicContact CE2-CB 3.76Å; L326-A330 PolarHBondContact O-N 3.37Å; P327-A330 WeakPolarHBondContact O-CB 3.34Å; P327-A330 PolarHBondContact O-N 3.08Å; A330-G332 VanDerWaalsContact C-N 3.3Å; A330-G332 PolarHBondContact O-N 2.92Å; A330-L333 CarbonylContact O-C 3.36Å; A330-L333 PolarHBondContact O-N 3.36Å; A330-L333 VanDerWaalsContact O-N 3.09Å; A330-W334 HydrophobicContact CB-CE3 4.24Å; A330-W334 HydrophobicContact CB-CZ3 4.42Å; A330-W334 WeakPolarHBondContact O-CB 3.46Å; A330-W334 PolarHBondContact O-N 3.06Å
331W92Very high93.3Very high110 Ų11067.9 Ų67.942%0.41735%0.351SS..Hα-helixtrans-54.7-43175.2172.441.6000113.5F164 Y168 P327 L329 L333F164-W331 VanDerWaalsContact CB-CD1 3.43Å; F164-W331 HydrophobicContact CB-CG 4.48Å; F164-W331 HydrophobicContact CD1-CB 3.97Å; F164-W331 AromaticContact CD1-CD1 3.7Å; F164-W331 HydrophobicContact CD1-CG 4.02Å; F164-W331 HydrophobicContact CD2-CB 4.39Å; F164-W331 HydrophobicContact CE1-CB 3.8Å; F164-W331 HydrophobicContact CE1-CG 4.33Å; F164-W331 HydrophobicContact CE2-CB 4.23Å; F164-W331 HydrophobicContact CG-CB 4.25Å; F164-W331 AromaticContact CG-CD1 3.48Å; F164-W331 VanDerWaalsContact CG-CD1 3.48Å; F164-W331 HydrophobicContact CG-CG 4.17Å; F164-W331 HydrophobicContact CZ-CB 3.9Å; Y168-W331 HydrophobicContact CD2-CD2 4.24Å; Y168-W331 HydrophobicContact CD2-CG 4.35Å; Y168-W331 HydrophobicContact CD2-CZ2 4.44Å; Y168-W331 HydrophobicContact CE2-CB 4.3Å; Y168-W331 AromaticContact CE2-CD2 3.43Å; Y168-W331 HydrophobicContact CE2-CD2 3.43Å; Y168-W331 VanDerWaalsContact CE2-CD2 3.43Å; Y168-W331 AromaticContact CE2-CE2 3.63Å; Y168-W331 AromaticContact CE2-CE3 3.74Å; Y168-W331 HydrophobicContact CE2-CE3 3.74Å; Y168-W331 AromaticContact CE2-CG 3.69Å; Y168-W331 HydrophobicContact CE2-CG 3.69Å; Y168-W331 HydrophobicContact CE2-CH2 4.35Å; Y168-W331 HydrophobicContact CE2-CZ2 4.1Å; Y168-W331 HydrophobicContact CE2-CZ3 4.19Å; Y168-W331 AromaticContact CE2-NE1 3.97Å; P327-W331 PolarHBondContact O-N 3.43Å; L329-W331 VanDerWaalsContact C-N 3.29Å; L329-W331 PolarHBondContact O-N 3.38Å; W331-L333 VanDerWaalsContact C-N 3.27Å; W331-L333 PolarHBondContact O-N 3.35Å
332G89.6Confident93.1Very high64 Ų6468.3 Ų68.366%0.6635%0.353SS*.Hα-helixtrans-72.4-19.818000000114.1L329 A330L329-G332 PolarHBondContact O-N 3.18Å; A330-G332 VanDerWaalsContact C-N 3.3Å; A330-G332 PolarHBondContact O-N 2.92Å
333L92.4Very high92.8Very high149 Ų14972.8 Ų72.878%0.7838%0.375SS*.Hα-helixtrans-110.2-5.2-175.5-61.1175.8000113.2L329 A330 W331L329-L333 PolarHBondContact O-N 3.42Å; A330-L333 CarbonylContact O-C 3.36Å; A330-L333 PolarHBondContact O-N 3.36Å; A330-L333 VanDerWaalsContact O-N 3.09Å; W331-L333 VanDerWaalsContact C-N 3.27Å; W331-L333 PolarHBondContact O-N 3.35Å
334W94.6Very high92.6Very high15 Ų1578.1 Ų78.16%0.05740%0.402CS..  trans-67.6128.6-177-149.1-95.9000109.9I162 F164 L175 P254 P257 V258 A330I162-W334 HydrophobicContact CB-CH2 4.38Å; I162-W334 HydrophobicContact CB-CZ2 3.78Å; I162-W334 HydrophobicContact CG1-CZ2 4.34Å; I162-W334 HydrophobicContact CG2-CD2 4.28Å; I162-W334 HydrophobicContact CG2-CH2 3.9Å; I162-W334 HydrophobicContact CG2-CZ2 3.51Å; I162-W334 HydrophobicContact CG2-CZ3 4.44Å; F164-W334 HydrophobicContact CD2-CB 3.86Å; F164-W334 HydrophobicContact CD2-CD2 4.3Å; F164-W334 AromaticContact CD2-CG 3.89Å; F164-W334 HydrophobicContact CD2-CG 3.89Å; F164-W334 HydrophobicContact CE2-CB 4.02Å; F164-W334 AromaticContact CE2-CD2 3.92Å; F164-W334 HydrophobicContact CE2-CD2 3.92Å; F164-W334 AromaticContact CE2-CE3 3.96Å; F164-W334 HydrophobicContact CE2-CE3 3.96Å; F164-W334 AromaticContact CE2-CG 3.96Å; F164-W334 HydrophobicContact CE2-CG 3.96Å; L175-W334 HydrophobicContact CD1-CE3 4.18Å; L175-W334 HydrophobicContact CD1-CH2 4.24Å; L175-W334 HydrophobicContact CD1-CZ3 3.67Å; L175-W334 HydrophobicContact CD2-CH2 4.02Å; L175-W334 HydrophobicContact CD2-CZ3 4.16Å; P254-W334 PolarHBondContact O-NE1 3.37Å; P257-W334 HydrophobicContact CB-CD2 4.34Å; P257-W334 HydrophobicContact CB-CE3 4.13Å; P257-W334 HydrophobicContact CB-CH2 3.83Å; P257-W334 HydrophobicContact CB-CZ2 4.01Å; P257-W334 HydrophobicContact CB-CZ3 3.88Å; P257-W334 HydrophobicContact CG-CZ2 4.25Å; V258-W334 HydrophobicContact CB-CH2 4.47Å; V258-W334 HydrophobicContact CG2-CH2 3.65Å; V258-W334 HydrophobicContact CG2-CZ2 3.91Å; A330-W334 HydrophobicContact CB-CE3 4.24Å; A330-W334 HydrophobicContact CB-CZ3 4.42Å; A330-W334 WeakPolarHBondContact O-CB 3.46Å; A330-W334 PolarHBondContact O-N 3.06Å
335P90.6Very high92.6Very high39 Ų3977 Ų7725%0.25340%0.395SS..  trans-63.5145.3175.828.9-34.5000110.1P254 W256 P257P254-P335 HydrophobicContact CB-CG 3.89Å; P254-P335 HydrophobicContact CG-CB 4.12Å; P254-P335 HydrophobicContact CG-CG 3.99Å; W256-P335 HydrophobicContact CZ2-CG 4.43Å; P257-P335 HydrophobicContact CG-CG 3.55Å
336R83.1Confident92.3Very high239 Ų23971.5 Ų71.590%0.90238%0.376SS*.  trans-124.80179.4-59.5-178.4-172.6175.81.1109.6

Retrieved 336 of 336 residues in 625.8 ms (Link to these results)

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