A0A087XHS6_POEFO Loading...

Adhesion G protein-coupled receptor E2-like

AlphaFold DB , UniProt , Accession A0A087XHS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 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
1M45.5Very low53.6Low107 Ų10771.9 Ų71.953%0.52736%0.363SS..  0112.10-163.4174.9163.500106.8V3 V70 A74M1-V3 HydrophobicContact CB-CG2 4.11Å; M1-V3 HydrophobicContact CE-CG2 4.15Å; M1-V3 HydrophobicContact CG-CG2 3.76Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 HydrophobicContact SD-CG2 4.11Å; M1-V70 HydrophobicContact CE-CG1 4.18Å; M1-A74 HydrophobicContact CE-CB 4.12Å
2D49.4Very low54.3Low105 Ų10575.2 Ų75.256%0.56138%0.38SS*.  trans-84.568.4-177.5-168.18.6000110.4N4 N5D2-N4 PolarHBondContact O-N 3.44Å; D2-N5 PolarHBondContact O-N 3.43Å
3V50.4Low54.9Low11 Ų1169.6 Ų69.67%0.06735%0.352CS..Hα-helixtrans-63.9-26.3-173.6-1740000111.9M1 N5 L6 M7 M17M1-V3 HydrophobicContact CB-CG2 4.11Å; M1-V3 HydrophobicContact CE-CG2 4.15Å; M1-V3 HydrophobicContact CG-CG2 3.76Å; M1-V3 PolarHBondContact O-N 3.47Å; M1-V3 HydrophobicContact SD-CG2 4.11Å; V3-N5 VanDerWaalsContact C-N 3.29Å; V3-N5 PolarHBondContact O-N 2.81Å; V3-L6 PolarHBondContact O-N 3Å; V3-M7 HydrophobicContact CG1-CG 4.17Å; V3-M7 HydrophobicContact CG1-SD 4.09Å; V3-M7 WeakPolarHBondContact O-CG 3.49Å; V3-M7 PolarHBondContact O-N 2.73Å; V3-M17 HydrophobicContact CG1-CB 4.03Å; V3-M17 HydrophobicContact CG1-SD 3.97Å
4N49.3Very low55.5Low111 Ų11171.4 Ų71.459%0.59436%0.356SS*.Hα-helixtrans-62.1-36.4-179.9-67.9-22.5000112.1D2 M7 E8D2-N4 PolarHBondContact O-N 3.44Å; N4-M7 PolarHBondContact O-N 2.6Å; N4-E8 WeakPolarHBondContact O-CB 3.24Å; N4-E8 PolarHBondContact O-N 3.34Å
5N51.7Low55.7Low58 Ų5875.3 Ų75.331%0.3138%0.379SS..Hα-helixtrans-70.2-32.5179.9-160.1-21.4000112.3D2 V3 K9D2-N5 PolarHBondContact O-N 3.43Å; V3-N5 VanDerWaalsContact C-N 3.29Å; V3-N5 PolarHBondContact O-N 2.81Å; N5-K9 WeakPolarHBondContact O-CG 3.29Å; N5-K9 PolarHBondContact O-N 3.09Å; N5-K9 WeakPolarHBondContact OD1-CE 3.37Å; N5-K9 PolarHBondContact OD1-NZ 3.39Å
6L50.9Low55.9Low6 Ų672.8 Ų72.83%0.03137%0.367CS..Hα-helixtrans-76.4-39.5174.3-15588.3000111.3V3 E8 K9 F10 M17 T66 V70V3-L6 PolarHBondContact O-N 3Å; L6-E8 VanDerWaalsContact C-N 3.27Å; L6-E8 PolarHBondContact O-N 3.08Å; L6-K9 PolarHBondContact O-N 3.33Å; L6-F10 HydrophobicContact CD1-CD2 3.82Å; L6-F10 HydrophobicContact CD1-CE2 3.82Å; L6-F10 HydrophobicContact CG-CD2 3.84Å; L6-F10 HydrophobicContact CG-CE2 4.37Å; L6-F10 PolarHBondContact O-N 3.19Å; L6-M17 HydrophobicContact CD2-CE 3.4Å; L6-M17 VanDerWaalsContact CD2-CE 3.4Å; L6-M17 HydrophobicContact CD2-CG 3.94Å; L6-M17 HydrophobicContact CD2-SD 3.64Å; L6-T66 HydrophobicContact CD1-CG2 4.02Å; L6-V70 HydrophobicContact CD1-CB 4.28Å; L6-V70 HydrophobicContact CD1-CG1 4.47Å; L6-V70 HydrophobicContact CD1-CG2 4Å; L6-V70 HydrophobicContact CD2-CG1 4.28Å
7M53.6Low56.3Low28 Ų2868.8 Ų68.814%0.13835%0.347CS..Hα-helixtrans-63-31.1175.8-73178.869.800113.1V3 N4 K14 M17 K18V3-M7 HydrophobicContact CG1-CG 4.17Å; V3-M7 HydrophobicContact CG1-SD 4.09Å; V3-M7 WeakPolarHBondContact O-CG 3.49Å; V3-M7 PolarHBondContact O-N 2.73Å; N4-M7 PolarHBondContact O-N 2.6Å; M7-K14 HydrophobicContact CB-CG 4.39Å; M7-K14 HydrophobicContact CE-CG 3.66Å; M7-K14 HydrophobicContact CG-CG 4.49Å; M7-M17 HydrophobicContact CG-CB 3.94Å; M7-K18 HydrophobicContact CE-CB 3.84Å; M7-K18 HydrophobicContact CE-CG 4.16Å; M7-K18 HydrophobicContact SD-CB 4.43Å
8E56.4Low56.7Low161 Ų16170.9 Ų70.975%0.75235%0.353SS*.Hα-helixtrans-79-27.5176.6-164.1175.4-168.700112.6N4 L6N4-E8 WeakPolarHBondContact O-CB 3.24Å; N4-E8 PolarHBondContact O-N 3.34Å; L6-E8 VanDerWaalsContact C-N 3.27Å; L6-E8 PolarHBondContact O-N 3.08Å
9K58.8Low56.9Low79 Ų7973.7 Ų73.734%0.34337%0.365SS..Hα-helixtrans-96.5-20.4-176.5-73.4176.1178.9159.10114.9N5 L6 T66N5-K9 WeakPolarHBondContact O-CG 3.29Å; N5-K9 PolarHBondContact O-N 3.09Å; N5-K9 WeakPolarHBondContact OD1-CE 3.37Å; N5-K9 PolarHBondContact OD1-NZ 3.39Å; L6-K9 PolarHBondContact O-N 3.33Å; K9-T66 HydrophobicContact CD-CG2 4.41Å; K9-T66 PolarHBondContact NZ-OG1 3.11Å
10F62.5Low57.1Low4 Ų470.6 Ų70.62%0.01835%0.35CS..  trans-13479.7-176.1-62.8-85.9000111.9L6 I12 V13 V52 S57 L58 K63L6-F10 HydrophobicContact CD1-CD2 3.82Å; L6-F10 HydrophobicContact CD1-CE2 3.82Å; L6-F10 HydrophobicContact CG-CD2 3.84Å; L6-F10 HydrophobicContact CG-CE2 4.37Å; L6-F10 PolarHBondContact O-N 3.19Å; F10-I12 PolarHBondContact O-N 2.98Å; F10-I12 VanDerWaalsContact O-N 3.07Å; F10-V13 HydrophobicContact CB-CG2 4.37Å; F10-V13 PolarHBondContact O-N 3.49Å; F10-V13 VanDerWaalsContact O-N 3.12Å; F10-V52 HydrophobicContact CE1-CG1 4.35Å; F10-S57 WeakPolarHBondContact CD1-OG 3.47Å; F10-L58 HydrophobicContact CE1-CD2 3.76Å; F10-L58 HydrophobicContact CZ-CD2 3.61Å; F10-K63 HydrophobicContact CE1-CD 4.28Å; F10-K63 HydrophobicContact CZ-CB 3.87Å; F10-K63 HydrophobicContact CZ-CD 4.28Å; F10-K63 HydrophobicContact CZ-CG 4.2Å
11D61.5Low57.5Low121 Ų12168.2 Ų68.265%0.64734%0.34SS*.G310 helixtrans-53.6-31.9-177.4-77-47.5000114.5V13 K14D11-V13 PolarHBondContact O-N 2.97Å; D11-K14 VanDerWaalsContact O-CB 3.3Å; D11-K14 WeakPolarHBondContact O-CB 3.2Å; D11-K14 PolarHBondContact O-N 3.43Å
12I61.1Low58.3Low111 Ų11167.1 Ų67.157%0.56933%0.334SS*.G310 helixtrans-63.5-28.7-177.2-62.5171.8000112.3F10 A55F10-I12 PolarHBondContact O-N 2.98Å; F10-I12 VanDerWaalsContact O-N 3.07Å; I12-A55 HydrophobicContact CD1-CB 3.84Å
13V62.9Low58.8Low3 Ų364.5 Ų64.52%0.01832%0.323CS..G310 helixtrans-105.92.1-173.1-159.60000111.6F10 D11 N15 D16 M17 V48 V52F10-V13 HydrophobicContact CB-CG2 4.37Å; F10-V13 PolarHBondContact O-N 3.49Å; F10-V13 VanDerWaalsContact O-N 3.12Å; D11-V13 PolarHBondContact O-N 2.97Å; V13-N15 VanDerWaalsContact C-N 3.27Å; V13-N15 PolarHBondContact O-N 2.93Å; V13-D16 HydrophobicContact CG1-CB 4.29Å; V13-D16 PolarHBondContact O-N 2.86Å; V13-M17 HydrophobicContact CB-CG 4.43Å; V13-M17 HydrophobicContact CG1-CG 3.83Å; V13-M17 WeakPolarHBondContact O-CB 3.42Å; V13-M17 PolarHBondContact O-N 3.14Å; V13-V48 HydrophobicContact CG1-CB 4.12Å; V13-V48 HydrophobicContact CG1-CG1 3.35Å; V13-V48 HydrophobicContact CG1-CG2 3.9Å; V13-V52 HydrophobicContact CG2-CG2 3.62Å
14K63.5Low59.2Low95 Ų9565.4 Ų65.441%0.41333%0.33SS..Hα-helixtrans-55.3-40.3-171.9-171.9174.3-175.9168.40112.9M7 D11 K18M7-K14 HydrophobicContact CB-CG 4.39Å; M7-K14 HydrophobicContact CE-CG 3.66Å; M7-K14 HydrophobicContact CG-CG 4.49Å; D11-K14 VanDerWaalsContact O-CB 3.3Å; D11-K14 WeakPolarHBondContact O-CB 3.2Å; D11-K14 PolarHBondContact O-N 3.43Å; K14-K18 WeakPolarHBondContact O-CB 3.31Å; K14-K18 PolarHBondContact O-N 3.4Å
15N58.6Low59.6Low130 Ų13065.7 Ų65.770%0.69533%0.331SS*.Hα-helixtrans-72.6-43.9-179.5-69.3-16.5000112.4V13 K18 E19V13-N15 VanDerWaalsContact C-N 3.27Å; V13-N15 PolarHBondContact O-N 2.93Å; N15-K18 WeakPolarHBondContact O-CB 3.41Å; N15-K18 PolarHBondContact O-N 2.96Å; N15-E19 PolarHBondContact O-N 3.36Å
16D58.2Low59.7Low35 Ų3570.5 Ų70.519%0.18735%0.349CS..Hα-helixtrans-68.4-38.8179.1-54.5-54.2000111.3V13 K18 E19 L20 V48 K51V13-D16 HydrophobicContact CG1-CB 4.29Å; V13-D16 PolarHBondContact O-N 2.86Å; D16-K18 VanDerWaalsContact C-N 3.35Å; D16-E19 PolarHBondContact O-N 3.35Å; D16-L20 PolarHBondContact O-N 2.95Å; D16-V48 HydrophobicContact CB-CG2 3.77Å; D16-K51 IonicContact OD1-NZ 2.65Å; D16-K51 PolarHBondContact OD1-NZ 2.92Å; D16-K51 WeakPolarHBondContact OD2-CD 3.24Å; D16-K51 IonicContact OD2-NZ 2.98Å; D16-K51 PolarHBondContact OD2-NZ 3.15Å
17M62.2Low59.7Low5 Ų573 Ų733%0.02536%0.362CS..Hα-helixtrans-68.9-33.5174.7-83.1-80.5162.800112.3V3 L6 M7 V13 L20 S21 V48V3-M17 HydrophobicContact CG1-CB 4.03Å; V3-M17 HydrophobicContact CG1-SD 3.97Å; L6-M17 HydrophobicContact CD2-CE 3.4Å; L6-M17 VanDerWaalsContact CD2-CE 3.4Å; L6-M17 HydrophobicContact CD2-CG 3.94Å; L6-M17 HydrophobicContact CD2-SD 3.64Å; M7-M17 HydrophobicContact CG-CB 3.94Å; V13-M17 HydrophobicContact CB-CG 4.43Å; V13-M17 HydrophobicContact CG1-CG 3.83Å; V13-M17 WeakPolarHBondContact O-CB 3.42Å; V13-M17 PolarHBondContact O-N 3.14Å; M17-L20 PolarHBondContact O-N 2.97Å; M17-S21 WeakPolarHBondContact O-CB 3.5Å; M17-S21 PolarHBondContact O-N 3.04Å; M17-V48 HydrophobicContact CE-CB 4.37Å; M17-V48 HydrophobicContact CE-CG1 3.4Å; M17-V48 VanDerWaalsContact CE-CG1 3.4Å
18K64.1Low59.5Low107 Ų10776.9 Ų76.947%0.46539%0.392SS..Hα-helixtrans-65.4-41.5171.5-166.4-175.8-176.5-157.20110.9M7 K14 N15 D16 S21 E22M7-K18 HydrophobicContact CE-CB 3.84Å; M7-K18 HydrophobicContact CE-CG 4.16Å; M7-K18 HydrophobicContact SD-CB 4.43Å; K14-K18 WeakPolarHBondContact O-CB 3.31Å; K14-K18 PolarHBondContact O-N 3.4Å; N15-K18 WeakPolarHBondContact O-CB 3.41Å; N15-K18 PolarHBondContact O-N 2.96Å; D16-K18 VanDerWaalsContact C-N 3.35Å; K18-S21 PolarHBondContact O-N 3.05Å; K18-E22 WeakPolarHBondContact CE-OE1 3.5Å; K18-E22 HydrophobicContact CG-CG 4.41Å; K18-E22 IonicContact NZ-OE1 3.8Å; K18-E22 VanDerWaalsContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CB 3.19Å; K18-E22 VanDerWaalsContact O-CG 3.24Å; K18-E22 WeakPolarHBondContact O-CG 3.09Å; K18-E22 PolarHBondContact O-N 2.86Å
19E61.2Low59.1Low123 Ų12372.7 Ų72.758%0.57539%0.392SS*.Hα-helixtrans-65-41.1175.8-169.8177.3-17900112.3N15 D16 S23N15-E19 PolarHBondContact O-N 3.36Å; D16-E19 PolarHBondContact O-N 3.35Å; E19-S23 VanDerWaalsContact O-CB 3.31Å; E19-S23 WeakPolarHBondContact O-CB 3.35Å; E19-S23 PolarHBondContact O-N 2.84Å; E19-S23 PolarHBondContact O-OG 3.45Å
20L60.9Low58.3Low11 Ų1172 Ų726%0.05840%0.397CS..Hα-helixtrans-62.7-44.9171.6-108.4147.7000111.8D16 M17 S23 C24 L41 S44 V48D16-L20 PolarHBondContact O-N 2.95Å; M17-L20 PolarHBondContact O-N 2.97Å; L20-S23 WeakPolarHBondContact O-CB 3.01Å; L20-S23 PolarHBondContact O-N 2.91Å; L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 3.47Å; L20-C24 PolarHBondContact O-SG 2.61Å; L20-L41 HydrophobicContact CD2-CD2 4.4Å; L20-S44 WeakPolarHBondContact CD1-OG 3.49Å; L20-V48 HydrophobicContact CD1-CG2 4.07Å
21S64.5Low57.4Low21 Ų2182.1 Ų82.115%0.14744%0.441CS..Hα-helixtrans-65-43.9177.2-171.10000112.1M17 K18 S23 C24 L25M17-S21 WeakPolarHBondContact O-CB 3.5Å; M17-S21 PolarHBondContact O-N 3.04Å; K18-S21 PolarHBondContact O-N 3.05Å; S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 2.79Å; S21-C24 CarbonylContact O-C 3.6Å; S21-C24 WeakPolarHBondContact O-CA 3.27Å; S21-C24 WeakPolarHBondContact O-CB 3.32Å; S21-C24 PolarHBondContact O-N 3.21Å; S21-C24 VanDerWaalsContact O-N 3.14Å; S21-L25 WeakPolarHBondContact O-CB 3.41Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 3.35Å
22E63.4Low56.6Low85 Ų8582.1 Ų82.140%0.39744%0.441SS..Hα-helixtrans-64.8-37.5176.3-76.9177.6-169.100111.1K18 L25 K26K18-E22 WeakPolarHBondContact CE-OE1 3.5Å; K18-E22 HydrophobicContact CG-CG 4.41Å; K18-E22 IonicContact NZ-OE1 3.8Å; K18-E22 VanDerWaalsContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CB 3.19Å; K18-E22 VanDerWaalsContact O-CG 3.24Å; K18-E22 WeakPolarHBondContact O-CG 3.09Å; K18-E22 PolarHBondContact O-N 2.86Å; E22-L25 PolarHBondContact O-N 3.36Å; E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.36Å; E22-K26 PolarHBondContact O-N 3.26Å
23S59.4Low55.9Low49 Ų4981.6 Ų81.634%0.34345%0.447SS..Hα-helixtrans-62.8-42.3171-61.30000111.3E19 L20 S21 L27E19-S23 VanDerWaalsContact O-CB 3.31Å; E19-S23 WeakPolarHBondContact O-CB 3.35Å; E19-S23 PolarHBondContact O-N 2.84Å; E19-S23 PolarHBondContact O-OG 3.45Å; L20-S23 WeakPolarHBondContact O-CB 3.01Å; L20-S23 PolarHBondContact O-N 2.91Å; S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 2.79Å; S23-L27 VanDerWaalsContact O-CD1 3.22Å; S23-L27 WeakPolarHBondContact O-CD1 3.32Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.27Å; S23-L27 PolarHBondContact O-N 3.18Å
24C57.6Low55.1Low30 Ų3090 Ų9020%0.20348%0.484CS..Hα-helixtrans-66.8-37.9173.9-73.20000113.9L20 S21 L27 S28L20-C24 WeakPolarHBondContact O-CB 3.39Å; L20-C24 PolarHBondContact O-N 3.47Å; L20-C24 PolarHBondContact O-SG 2.61Å; S21-C24 CarbonylContact O-C 3.6Å; S21-C24 WeakPolarHBondContact O-CA 3.27Å; S21-C24 WeakPolarHBondContact O-CB 3.32Å; S21-C24 PolarHBondContact O-N 3.21Å; S21-C24 VanDerWaalsContact O-N 3.14Å; C24-L27 WeakPolarHBondContact O-CB 3.23Å; C24-L27 PolarHBondContact O-N 2.79Å; C24-S28 PolarHBondContact O-N 2.97Å
25L58.3Low54.6Low117 Ų11794.5 Ų94.561%0.61351%0.506SS*.Hα-helixtrans-73.3-38.2-179.6-80163000112S21 E22 L27 S28S21-L25 WeakPolarHBondContact O-CB 3.41Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 3.35Å; E22-L25 PolarHBondContact O-N 3.36Å; L25-L27 PolarHBondContact O-N 2.8Å; L25-S28 PolarHBondContact O-N 3.42Å
26K54.8Low54.8Low159 Ų15989.7 Ų89.769%0.69148%0.48SS*.Hα-helixtrans-58.4-27.3170.6-77.2174.5-179173.70112E22E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.36Å; E22-K26 PolarHBondContact O-N 3.26Å
27L50Low55.6Low58 Ų5892 Ų9230%0.30449%0.493SS..Hα-helixtrans-80.6-33.2178.7-68.2160.2000113.7S23 C24 L25 G29 S30 L36S23-L27 VanDerWaalsContact O-CD1 3.22Å; S23-L27 WeakPolarHBondContact O-CD1 3.32Å; S23-L27 VanDerWaalsContact O-CG 3.25Å; S23-L27 WeakPolarHBondContact O-CG 3.27Å; S23-L27 PolarHBondContact O-N 3.18Å; C24-L27 WeakPolarHBondContact O-CB 3.23Å; C24-L27 PolarHBondContact O-N 2.79Å; L25-L27 PolarHBondContact O-N 2.8Å; L27-G29 PolarHBondContact O-N 2.85Å; L27-S30 PolarHBondContact O-N 2.95Å; L27-L36 HydrophobicContact CD1-CD1 3.65Å; L27-L36 HydrophobicContact CD1-CD2 3.72Å; L27-L36 HydrophobicContact CD1-CG 4.34Å; L27-L36 HydrophobicContact CD2-CB 4.47Å; L27-L36 HydrophobicContact CD2-CD1 3.96Å; L27-L36 HydrophobicContact CD2-CD2 4.16Å; L27-L36 HydrophobicContact CD2-CG 4.43Å; L27-L36 HydrophobicContact CG-CD1 4.38Å
28S50.3Low56.6Low111 Ų11191.9 Ų91.978%0.77649%0.492SS*.Hα-helixtrans-66.1-19.4176-176.90000113.1C24 L25C24-S28 PolarHBondContact O-N 2.97Å; L25-S28 PolarHBondContact O-N 3.42Å
29G46.8Very low57.5Low73 Ų7388.4 Ų88.475%0.75348%0.478SS*.THydrogen-bonded Turntrans-104-8.5-179.400000115.6L27L27-G29 PolarHBondContact O-N 2.85Å
30S42.9Very low58.6Low63 Ų6386.6 Ų86.644%0.44148%0.475SS..  trans-96.6126.9-176.1172.20000111.6L27 D32L27-S30 PolarHBondContact O-N 2.95Å; S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact OG-N 3.1Å; S30-D32 PolarHBondContact OG-O 3.41Å
31K42.4Very low59.8Low217 Ų21786.7 Ų86.794%0.94348%0.475SS*.SBendtrans-79.4-6172-87.6-176.3176.8178.80113.8
32D44.5Very low60.9Low122 Ų12285.7 Ų85.765%0.65247%0.469SS*.  trans-109.6105.1179.1-90.7-45.6000110.8S30 K34S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact OG-N 3.1Å; S30-D32 PolarHBondContact OG-O 3.41Å; D32-K34 VanDerWaalsContact C-N 3.29Å; D32-K34 PolarHBondContact O-N 3.15Å
33S46.8Very low62Low100 Ų10088.5 Ų88.570%0.69948%0.481SS*.  trans-85.58.6178.462.50000114E35S33-E35 PolarHBondContact O-N 3.44Å
34K47.2Very low63.2Low179 Ų17987.9 Ų87.978%0.77848%0.477SS*.THydrogen-bonded Turntrans-79.7-10.1-170.1-84.1-179.3176.7174.60115.6D32D32-K34 VanDerWaalsContact C-N 3.29Å; D32-K34 PolarHBondContact O-N 3.15Å
35E53.4Low64.6Low189 Ų18986.6 Ų86.688%0.88347%0.468SS*.THydrogen-bonded Turntrans-114.79.2-173.7-79.6-171.5158.200115.6S33 N37S33-E35 PolarHBondContact O-N 3.44Å; E35-N37 PolarHBondContact O-N 3.16Å
36L61.9Low66.1Low30 Ų3081.3 Ų81.316%0.15744%0.441CS..  trans-78.3113.9177.9-162.459.1000111.3L27 G38 L41 F81L27-L36 HydrophobicContact CD1-CD1 3.65Å; L27-L36 HydrophobicContact CD1-CD2 3.72Å; L27-L36 HydrophobicContact CD1-CG 4.34Å; L27-L36 HydrophobicContact CD2-CB 4.47Å; L27-L36 HydrophobicContact CD2-CD1 3.96Å; L27-L36 HydrophobicContact CD2-CD2 4.16Å; L27-L36 HydrophobicContact CD2-CG 4.43Å; L27-L36 HydrophobicContact CG-CD1 4.38Å; L36-G38 PolarHBondContact O-N 2.95Å; L36-L41 HydrophobicContact CD1-CD1 3.88Å; L36-L41 HydrophobicContact CD1-CG 4.4Å; L36-L41 HydrophobicContact CD2-CD1 3.84Å; L36-L41 HydrophobicContact CG-CD1 3.96Å; L36-F81 HydrophobicContact CB-CD1 4.15Å; L36-F81 HydrophobicContact CB-CE1 4.48Å; L36-F81 HydrophobicContact CD2-CB 4.45Å; L36-F81 HydrophobicContact CD2-CD1 3.65Å; L36-F81 HydrophobicContact CD2-CD2 3.78Å; L36-F81 HydrophobicContact CD2-CE1 3.68Å; L36-F81 HydrophobicContact CD2-CE2 3.81Å; L36-F81 HydrophobicContact CD2-CG 3.69Å; L36-F81 HydrophobicContact CD2-CZ 3.76Å; L36-F81 HydrophobicContact CG-CD1 4.28Å; L36-F81 HydrophobicContact CG-CG 4.35Å
37N75.9Confident67.6Low84 Ų8476.4 Ų76.445%0.44943%0.426SS..  trans-89.893.4173.3-167.4-4.6000110E35 E39 V40 L41E35-N37 PolarHBondContact O-N 3.16Å; N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 VanDerWaalsContact O-N 3.13Å; N37-E39 WeakPolarHBondContact OD1-CB 3.47Å; N37-E39 PolarHBondContact OD1-N 2.96Å; N37-V40 HydrophobicContact CB-CB 4.37Å; N37-V40 HydrophobicContact CB-CG2 4Å; N37-V40 WeakPolarHBondContact ND2-CG2 3.35Å; N37-V40 PolarHBondContact O-N 2.83Å; N37-L41 PolarHBondContact O-N 3.22Å
38G81.6Confident69.3Low1 Ų173.8 Ų73.81%0.0141%0.413CS..Hα-helixtrans-54.9-29.7179.200000113.6L36 V40 L41 L42 I82L36-G38 PolarHBondContact O-N 2.95Å; G38-V40 VanDerWaalsContact C-N 3.34Å; G38-V40 PolarHBondContact O-N 2.8Å; G38-L41 PolarHBondContact O-N 3.28Å; G38-L42 WeakPolarHBondContact O-CB 3.27Å; G38-L42 PolarHBondContact O-N 3.21Å; G38-I82 VanDerWaalsContact C-CD1 3.41Å; G38-I82 WeakPolarHBondContact O-CD1 3.31Å
39E83.9Confident71.1Confident34 Ų3468.6 Ų68.616%0.15938%0.376CS..Hα-helixtrans-64.6-37.2177.3-66-67.4156.200112.4N37 L42 Q43 I82 T84 T87 R89N37-E39 PolarHBondContact O-N 3.18Å; N37-E39 VanDerWaalsContact O-N 3.13Å; N37-E39 WeakPolarHBondContact OD1-CB 3.47Å; N37-E39 PolarHBondContact OD1-N 2.96Å; E39-L42 PolarHBondContact O-N 2.88Å; E39-Q43 WeakPolarHBondContact O-CB 3.46Å; E39-Q43 PolarHBondContact O-N 3.13Å; E39-I82 HydrophobicContact CG-CD1 4.33Å; E39-T84 PolarHBondContact OE1-OG1 3.49Å; E39-T87 PolarHBondContact OE1-OG1 2.74Å; E39-R89 IonicContact OE2-CZ 3.7Å; E39-R89 IonicContact OE2-NE 2.63Å; E39-R89 PolarHBondContact OE2-NE 2.99Å; E39-R89 IonicContact OE2-NH2 3.03Å; E39-R89 PolarHBondContact OE2-NH2 3.09Å
40V84.1Confident73Confident85 Ų8566.1 Ų66.152%0.51535%0.346SS..Hα-helixtrans-69.5-42177.9174.90000110.4N37 G38 L42 Q43 S44N37-V40 HydrophobicContact CB-CB 4.37Å; N37-V40 HydrophobicContact CB-CG2 4Å; N37-V40 WeakPolarHBondContact ND2-CG2 3.35Å; N37-V40 PolarHBondContact O-N 2.83Å; G38-V40 VanDerWaalsContact C-N 3.34Å; G38-V40 PolarHBondContact O-N 2.8Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 2.86Å; V40-Q43 PolarHBondContact O-N 2.87Å; V40-S44 WeakPolarHBondContact O-CB 3.11Å; V40-S44 PolarHBondContact O-N 2.86Å
41L85.2Confident75Confident13 Ų1366.9 Ų66.97%0.06834%0.341CS..Hα-helixtrans-62.3-42.2174.9-68.4179.1000111.5L20 L36 N37 G38 S44 L45 F77 I78L20-L41 HydrophobicContact CD2-CD2 4.4Å; L36-L41 HydrophobicContact CD1-CD1 3.88Å; L36-L41 HydrophobicContact CD1-CG 4.4Å; L36-L41 HydrophobicContact CD2-CD1 3.84Å; L36-L41 HydrophobicContact CG-CD1 3.96Å; N37-L41 PolarHBondContact O-N 3.22Å; G38-L41 PolarHBondContact O-N 3.28Å; L41-S44 PolarHBondContact O-N 2.8Å; L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 2.85Å; L41-F77 HydrophobicContact CD1-CE1 4.46Å; L41-I78 HydrophobicContact CB-CD1 4.04Å; L41-I78 HydrophobicContact CB-CG1 3.97Å; L41-I78 HydrophobicContact CB-CG2 4.32Å; L41-I78 HydrophobicContact CD1-CG1 4.45Å
42L88.1Confident77.1Confident1 Ų156.8 Ų56.81%0.00530%0.298CS..Hα-helixtrans-63.8-45.5178.4-168.961.7000111.4G38 E39 V40 S44 L45 L46 L75 I78 I82 T87 R89 L96 L98G38-L42 WeakPolarHBondContact O-CB 3.27Å; G38-L42 PolarHBondContact O-N 3.21Å; E39-L42 PolarHBondContact O-N 2.88Å; V40-L42 VanDerWaalsContact C-N 3.32Å; V40-L42 PolarHBondContact O-N 2.86Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.36Å; L42-L45 PolarHBondContact O-N 3.46Å; L42-L46 HydrophobicContact CG-CD1 4.38Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.21Å; L42-L75 HydrophobicContact CD1-CD2 4.18Å; L42-I78 HydrophobicContact CB-CG2 4.05Å; L42-I78 HydrophobicContact CD1-CG2 4.17Å; L42-I82 HydrophobicContact CB-CD1 4.24Å; L42-I82 HydrophobicContact CD2-CD1 3.99Å; L42-T87 HydrophobicContact CD2-CG2 4.18Å; L42-R89 HydrophobicContact CD2-CG 4.29Å; L42-L96 HydrophobicContact CD1-CD2 3.55Å; L42-L96 HydrophobicContact CD2-CD2 3.83Å; L42-L96 HydrophobicContact CG-CD2 3.97Å; L42-L98 HydrophobicContact CD2-CD2 4.33Å
43Q86.6Confident79Confident143 Ų14351.2 Ų51.267%0.66827%0.268SS*.Hα-helixtrans-62.6-39.5176.9-172.5172.14.800111.9E39 V40 L46 S47E39-Q43 WeakPolarHBondContact O-CB 3.46Å; E39-Q43 PolarHBondContact O-N 3.13Å; V40-Q43 PolarHBondContact O-N 2.87Å; Q43-L46 PolarHBondContact O-N 2.68Å; Q43-S47 WeakPolarHBondContact O-CB 3.17Å; Q43-S47 PolarHBondContact O-N 2.72Å
44S84.6Confident80.9Confident36 Ų3650 Ų5025%0.25226%0.259SS..Hα-helixtrans-63.9-45.2174.9-1720000111.7L20 V40 L41 L42 L46 S47 V48L20-S44 WeakPolarHBondContact CD1-OG 3.49Å; V40-S44 WeakPolarHBondContact O-CB 3.11Å; V40-S44 PolarHBondContact O-N 2.86Å; L41-S44 PolarHBondContact O-N 2.8Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.36Å; S44-L46 PolarHBondContact O-N 3.24Å; S44-S47 WeakPolarHBondContact O-CB 3.31Å; S44-S47 PolarHBondContact O-N 2.91Å; S44-V48 WeakPolarHBondContact O-CG2 3.32Å; S44-V48 PolarHBondContact O-N 3.36Å
45L88Confident82.4Confident4 Ų443.9 Ų43.92%0.02124%0.242CC..Hα-helixtrans-58.5-48.9175.4176.664000111.9L41 L42 S47 V48 I49 A74 L75 I78L41-L45 WeakPolarHBondContact O-CB 3.34Å; L41-L45 PolarHBondContact O-N 2.85Å; L42-L45 PolarHBondContact O-N 3.46Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-V48 PolarHBondContact O-N 3.41Å; L45-I49 HydrophobicContact CD1-CD1 4.11Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CG-CD1 3.91Å; L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 3.03Å; L45-A74 HydrophobicContact CD1-CB 3.77Å; L45-A74 HydrophobicContact CD2-CB 3.74Å; L45-A74 HydrophobicContact CG-CB 4.4Å; L45-L75 HydrophobicContact CD2-CD2 3.97Å; L45-L75 HydrophobicContact CD2-CG 4.18Å; L45-I78 HydrophobicContact CB-CD1 4.02Å; L45-I78 HydrophobicContact CD2-CD1 3.78Å
46L89.4Confident83.2Confident5 Ų536.7 Ų36.73%0.02622%0.219CC..Hα-helixtrans-64.6-37.7-179.9-64.5174.8000112L42 Q43 S44 I49 D50 R89 T91 L96 L143L42-L46 HydrophobicContact CG-CD1 4.38Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.21Å; Q43-L46 PolarHBondContact O-N 2.68Å; S44-L46 PolarHBondContact O-N 3.24Å; L46-I49 HydrophobicContact CD2-CD1 4.41Å; L46-I49 PolarHBondContact O-N 2.99Å; L46-D50 PolarHBondContact O-N 3.43Å; L46-R89 HydrophobicContact CD1-CB 3.6Å; L46-R89 HydrophobicContact CD1-CG 4.16Å; L46-T91 HydrophobicContact CB-CG2 3.77Å; L46-T91 HydrophobicContact CD1-CG2 4.29Å; L46-L96 HydrophobicContact CD1-CD2 4.33Å; L46-L96 HydrophobicContact CD2-CB 4.3Å; L46-L96 HydrophobicContact CD2-CD2 4.25Å; L46-L143 HydrophobicContact CD2-CD1 4.08Å
47S86.1Confident83.5Confident56 Ų5636.5 Ų36.539%0.39222%0.22SC..Hα-helixtrans-61.5-43.1173.8179.40000112.1Q43 S44 L45 D50 K51Q43-S47 WeakPolarHBondContact O-CB 3.17Å; Q43-S47 PolarHBondContact O-N 2.72Å; S44-S47 WeakPolarHBondContact O-CB 3.31Å; S44-S47 PolarHBondContact O-N 2.91Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.4Å; S47-D50 PolarHBondContact O-N 2.8Å; S47-K51 WeakPolarHBondContact O-CG 3.32Å; S47-K51 PolarHBondContact O-N 3.47Å
48V85.4Confident83.6Confident4 Ų432.6 Ų32.62%0.02420%0.199CC..Hα-helixtrans-62.8-45.3174.91640000111.2V13 D16 M17 L20 S44 L45 D50 K51 V52V13-V48 HydrophobicContact CG1-CB 4.12Å; V13-V48 HydrophobicContact CG1-CG1 3.35Å; V13-V48 HydrophobicContact CG1-CG2 3.9Å; D16-V48 HydrophobicContact CB-CG2 3.77Å; M17-V48 HydrophobicContact CE-CB 4.37Å; M17-V48 HydrophobicContact CE-CG1 3.4Å; M17-V48 VanDerWaalsContact CE-CG1 3.4Å; L20-V48 HydrophobicContact CD1-CG2 4.07Å; S44-V48 WeakPolarHBondContact O-CG2 3.32Å; S44-V48 PolarHBondContact O-N 3.36Å; L45-V48 PolarHBondContact O-N 3.41Å; V48-D50 VanDerWaalsContact C-N 3.34Å; V48-D50 PolarHBondContact O-N 3.35Å; V48-K51 PolarHBondContact O-N 3.04Å; V48-V52 WeakPolarHBondContact O-CG2 3.38Å; V48-V52 PolarHBondContact O-N 2.96Å
49I88.6Confident83.1Confident1 Ų138.8 Ų38.81%0.00523%0.232CC..Hα-helixtrans-59.1-47.3178-67.5163.6000110.5L45 L46 K51 V52 L53 F67 V71 T94 L143 Y145L45-I49 HydrophobicContact CD1-CD1 4.11Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CG-CD1 3.91Å; L45-I49 VanDerWaalsContact O-CG1 3.31Å; L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 3.03Å; L46-I49 HydrophobicContact CD2-CD1 4.41Å; L46-I49 PolarHBondContact O-N 2.99Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 2.69Å; I49-V52 PolarHBondContact O-N 3.24Å; I49-V52 VanDerWaalsContact O-N 3.13Å; I49-L53 HydrophobicContact CG2-CD1 3.63Å; I49-L53 HydrophobicContact CG2-CG 4.13Å; I49-L53 WeakPolarHBondContact O-CB 3.37Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.21Å; I49-F67 HydrophobicContact CG1-CE2 4.18Å; I49-F67 HydrophobicContact CG1-CZ 4.3Å; I49-F67 HydrophobicContact CG2-CE2 4.24Å; I49-F67 HydrophobicContact CG2-CZ 3.79Å; I49-V71 HydrophobicContact CD1-CG1 3.94Å; I49-V71 HydrophobicContact CD1-CG2 3.87Å; I49-V71 HydrophobicContact CG1-CG2 3.86Å; I49-T94 HydrophobicContact CB-CG2 4.22Å; I49-T94 HydrophobicContact CG2-CG2 3.34Å; I49-L143 HydrophobicContact CD1-CD2 4.09Å; I49-Y145 HydrophobicContact CG2-CD1 4.3Å; I49-Y145 HydrophobicContact CG2-CE1 4.22Å
50D87.1Confident83Confident21 Ų2138.5 Ų38.511%0.11224%0.238CC..Hα-helixtrans-58.2-40.8177.3-92.123.5000112.3L46 S47 V48 S54 T91 S92 H93L46-D50 PolarHBondContact O-N 3.43Å; S47-D50 PolarHBondContact O-N 2.8Å; V48-D50 VanDerWaalsContact C-N 3.34Å; V48-D50 PolarHBondContact O-N 3.35Å; D50-S54 VanDerWaalsContact O-CB 3.25Å; D50-S54 WeakPolarHBondContact O-CB 3.06Å; D50-S54 PolarHBondContact O-N 2.97Å; D50-S54 PolarHBondContact O-OG 3.36Å; D50-T91 WeakPolarHBondContact OD1-CB 3.31Å; D50-T91 PolarHBondContact OD1-OG1 3.41Å; D50-T91 WeakPolarHBondContact OD2-CB 2.98Å; D50-T91 PolarHBondContact OD2-OG1 3.48Å; D50-T91 VanDerWaalsContact OD2-OG1 3.09Å; D50-S92 PolarHBondContact OD2-N 2.89Å; D50-S92 PolarHBondContact OD2-OG 3.46Å; D50-H93 WeakPolarHBondContact OD1-CB 3.4Å; D50-H93 PolarHBondContact OD1-N 2.97Å; D50-H93 VanDerWaalsContact OD1-N 3.13Å; D50-H93 PolarHBondContact OD2-N 3.39Å
51K84.8Confident83Confident80 Ų8035.9 Ų35.935%0.34822%0.221SC..Hα-helixtrans-63.9-41.3175-75178.3-179.4178.40112.3D16 S47 V48 I49 S54 A55D16-K51 IonicContact OD1-NZ 2.65Å; D16-K51 PolarHBondContact OD1-NZ 2.92Å; D16-K51 WeakPolarHBondContact OD2-CD 3.24Å; D16-K51 IonicContact OD2-NZ 2.98Å; D16-K51 PolarHBondContact OD2-NZ 3.15Å; S47-K51 WeakPolarHBondContact O-CG 3.32Å; S47-K51 PolarHBondContact O-N 3.47Å; V48-K51 PolarHBondContact O-N 3.04Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 2.69Å; K51-S54 WeakPolarHBondContact CA-OG 3.35Å; K51-S54 PolarHBondContact O-OG 3.24Å; K51-S54 VanDerWaalsContact O-OG 3.13Å; K51-A55 VanDerWaalsContact O-CB 3.29Å; K51-A55 WeakPolarHBondContact O-CB 3.28Å; K51-A55 PolarHBondContact O-N 3.06Å; K51-A55 VanDerWaalsContact O-N 3.14Å
52V85.4Confident83.1Confident4 Ų441.9 Ų41.92%0.02425%0.246CC..Hα-helixtrans-65.5-45.3178.2173.70000111F10 V13 V48 I49 L58 F67F10-V52 HydrophobicContact CE1-CG1 4.35Å; V13-V52 HydrophobicContact CG2-CG2 3.62Å; V48-V52 WeakPolarHBondContact O-CG2 3.38Å; V48-V52 PolarHBondContact O-N 2.96Å; I49-V52 PolarHBondContact O-N 3.24Å; I49-V52 VanDerWaalsContact O-N 3.13Å; V52-L58 HydrophobicContact CG1-CD1 4.17Å; V52-L58 HydrophobicContact CG1-CD2 3.99Å; V52-L58 HydrophobicContact CG1-CG 3.93Å; V52-F67 HydrophobicContact CB-CE2 4.21Å; V52-F67 HydrophobicContact CG1-CD2 3.93Å; V52-F67 HydrophobicContact CG1-CE2 4.01Å
53L86Confident82.9Confident5 Ų545 Ų453%0.02626%0.26CS..Hα-helixtrans-70.9-36.8-177.9-69178.3000112.6I49 G56 L58 F67 H93 T94 Y145 N147 L148I49-L53 HydrophobicContact CG2-CD1 3.63Å; I49-L53 HydrophobicContact CG2-CG 4.13Å; I49-L53 WeakPolarHBondContact O-CB 3.37Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.21Å; L53-G56 PolarHBondContact O-N 3.44Å; L53-L58 HydrophobicContact CD2-CD1 3.92Å; L53-F67 HydrophobicContact CD2-CZ 4.41Å; L53-H93 HydrophobicContact CB-CB 4.02Å; L53-H93 HydrophobicContact CD1-CB 3.75Å; L53-T94 HydrophobicContact CD1-CG2 4.14Å; L53-Y145 HydrophobicContact CD1-CD1 3.96Å; L53-N147 WeakPolarHBondContact CB-OD1 2.97Å; L53-N147 PolarHBondContact O-ND2 2.81Å; L53-L148 HydrophobicContact CD2-CB 4.32Å; L53-L148 HydrophobicContact CD2-CD1 4.08Å
54S84.9Confident83.1Confident75 Ų7538.2 Ų38.252%0.52423%0.228SC..Hα-helixtrans-71.9-33.8176.755.40000113.1D50 K51 G56D50-S54 VanDerWaalsContact O-CB 3.25Å; D50-S54 WeakPolarHBondContact O-CB 3.06Å; D50-S54 PolarHBondContact O-N 2.97Å; D50-S54 PolarHBondContact O-OG 3.36Å; K51-S54 WeakPolarHBondContact CA-OG 3.35Å; K51-S54 PolarHBondContact O-OG 3.24Å; K51-S54 VanDerWaalsContact O-OG 3.13Å; S54-G56 PolarHBondContact O-N 3.31Å
55A79.7Confident83.3Confident50 Ų5037 Ų3741%0.41322%0.22SC..THydrogen-bonded Turntrans-73-12.9177.900000113.7I12 K51 S57I12-A55 HydrophobicContact CD1-CB 3.84Å; K51-A55 VanDerWaalsContact O-CB 3.29Å; K51-A55 WeakPolarHBondContact O-CB 3.28Å; K51-A55 PolarHBondContact O-N 3.06Å; K51-A55 VanDerWaalsContact O-N 3.14Å; A55-S57 PolarHBondContact O-N 3.3Å
56G70.6Confident83.2Confident38 Ų3837.9 Ų37.939%0.39223%0.225SC..THydrogen-bonded Turntrans61.226.4-175.300000113.2L53 S54 L58L53-G56 PolarHBondContact O-N 3.44Å; S54-G56 PolarHBondContact O-N 3.31Å; G56-L58 PolarHBondContact O-N 3.24Å
57S66.6Low83.2Confident26 Ų2638 Ų3818%0.18223%0.226CC..  trans-74-7.7-170.2-163.50000114F10 A55 N59 K63F10-S57 WeakPolarHBondContact CD1-OG 3.47Å; A55-S57 PolarHBondContact O-N 3.3Å; S57-N59 PolarHBondContact O-N 3.26Å; S57-K63 WeakPolarHBondContact O-CD 3.33Å
58L79.4Confident83.5Confident2 Ų235.5 Ų35.51%0.0121%0.208CC..  trans-81.748.8-176.8-63.4174.5000113F10 V52 L53 G56 G60 K63 V64 F67 L148F10-L58 HydrophobicContact CE1-CD2 3.76Å; F10-L58 HydrophobicContact CZ-CD2 3.61Å; V52-L58 HydrophobicContact CG1-CD1 4.17Å; V52-L58 HydrophobicContact CG1-CD2 3.99Å; V52-L58 HydrophobicContact CG1-CG 3.93Å; L53-L58 HydrophobicContact CD2-CD1 3.92Å; G56-L58 PolarHBondContact O-N 3.24Å; L58-G60 PolarHBondContact O-N 3.5Å; L58-K63 HydrophobicContact CD2-CB 4.43Å; L58-V64 HydrophobicContact CB-CG2 4.19Å; L58-F67 HydrophobicContact CD1-CD1 4.06Å; L58-F67 HydrophobicContact CD1-CE1 4.36Å; L58-F67 HydrophobicContact CD1-CG 4.33Å; L58-F67 HydrophobicContact CD2-CB 3.72Å; L58-F67 HydrophobicContact CD2-CD1 4.41Å; L58-F67 HydrophobicContact CD2-CG 3.98Å; L58-L148 HydrophobicContact CD1-CD1 3.37Å
59N70.6Confident83.6Confident132 Ų13239.1 Ų39.171%0.70623%0.227SC*.  trans-80.8101.7173.6-76.3-12.7000110.5S57S57-N59 PolarHBondContact O-N 3.26Å
60G80.9Confident83.5Confident27 Ų2739.9 Ų39.928%0.27823%0.232SC..SBendtrans110.8145173.800000114.1L58 K62 K63 V64L58-G60 PolarHBondContact O-N 3.5Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.96Å; G60-K63 PolarHBondContact O-N 2.84Å; G60-K63 VanDerWaalsContact O-N 3.1Å; G60-V64 PolarHBondContact O-N 2.78Å
61N85.8Confident83.6Confident31 Ų3139 Ų3917%0.16623%0.228CC..Hα-helixtrans-55.1-40.3-17562.6-13.8000114.4K63 V64 S65 F155 W210 E215 G216 G217N61-K63 VanDerWaalsContact C-N 3.28Å; N61-K63 PolarHBondContact O-N 3.21Å; N61-V64 WeakPolarHBondContact O-CB 3.42Å; N61-V64 PolarHBondContact O-N 2.77Å; N61-S65 PolarHBondContact O-N 3.01Å; N61-S65 PolarHBondContact O-OG 3.47Å; N61-S65 VanDerWaalsContact O-OG 3.1Å; N61-F155 HydrophobicContact CB-CD1 3.72Å; N61-F155 HydrophobicContact CB-CD2 4.2Å; N61-F155 HydrophobicContact CB-CE1 3.84Å; N61-F155 HydrophobicContact CB-CE2 4.3Å; N61-F155 HydrophobicContact CB-CG 3.92Å; N61-F155 HydrophobicContact CB-CZ 4.13Å; N61-W210 HydrophobicContact CB-CH2 4.13Å; N61-W210 HydrophobicContact CB-CZ2 4.01Å; N61-E215 PolarHBondContact ND2-O 3.13Å; N61-G216 CarbonylContact C-O 3.47Å; N61-G216 VanDerWaalsContact ND2-C 3.33Å; N61-G217 WeakPolarHBondContact CB-O 3.38Å; N61-G217 PolarHBondContact ND2-N 2.86Å; N61-G217 PolarHBondContact ND2-O 2.93Å
62K86.3Confident83.9Confident138 Ų13836.4 Ų36.460%0.622%0.217SC*.Hα-helixtrans-59.3-37.6178.8-70.2-179.7-178.7177.40113G60 T66 G216G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.96Å; K62-T66 WeakPolarHBondContact O-CB 3.49Å; K62-T66 PolarHBondContact O-N 2.98Å; K62-T66 VanDerWaalsContact O-N 3.08Å; K62-T66 PolarHBondContact O-OG1 3.48Å; K62-G216 VanDerWaalsContact CA-O 3.22Å; K62-G216 WeakPolarHBondContact CA-O 3.37Å; K62-G216 PolarHBondContact N-O 2.66Å; K62-G216 VanDerWaalsContact N-O 3.13Å
63K84.9Confident84Confident67 Ų6740.5 Ų40.529%0.29124%0.235SC..Hα-helixtrans-70.8-43.6178-74.1-170.4174.4-174.20110.8F10 S57 L58 G60 N61 T66 F67F10-K63 HydrophobicContact CE1-CD 4.28Å; F10-K63 HydrophobicContact CZ-CB 3.87Å; F10-K63 HydrophobicContact CZ-CD 4.28Å; F10-K63 HydrophobicContact CZ-CG 4.2Å; S57-K63 WeakPolarHBondContact O-CD 3.33Å; L58-K63 HydrophobicContact CD2-CB 4.43Å; G60-K63 PolarHBondContact O-N 2.84Å; G60-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 VanDerWaalsContact C-N 3.28Å; N61-K63 PolarHBondContact O-N 3.21Å; K63-T66 PolarHBondContact O-N 2.87Å; K63-F67 WeakPolarHBondContact O-CB 3.47Å; K63-F67 PolarHBondContact O-N 2.73Å
64V89.1Confident84.1Confident0 Ų040.4 Ų40.40%024%0.235CC..Hα-helixtrans-57.8-50.6173.7174.10000110.8L58 G60 N61 T66 F67 L68 T152 W210L58-V64 HydrophobicContact CB-CG2 4.19Å; G60-V64 PolarHBondContact O-N 2.78Å; N61-V64 WeakPolarHBondContact O-CB 3.42Å; N61-V64 PolarHBondContact O-N 2.77Å; V64-T66 VanDerWaalsContact C-N 3.33Å; V64-T66 PolarHBondContact O-N 2.91Å; V64-F67 WeakPolarHBondContact O-CB 3.47Å; V64-F67 PolarHBondContact O-N 2.94Å; V64-F67 VanDerWaalsContact O-N 3.15Å; V64-L68 HydrophobicContact CG1-CD1 3.85Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.77Å; V64-T152 HydrophobicContact CG1-CG2 3.56Å; V64-T152 HydrophobicContact CG2-CG2 4.22Å; V64-W210 HydrophobicContact CB-CH2 4.32Å; V64-W210 HydrophobicContact CB-CZ2 3.83Å; V64-W210 HydrophobicContact CG1-CD2 4.23Å; V64-W210 HydrophobicContact CG1-CH2 3.99Å; V64-W210 HydrophobicContact CG1-CZ2 3.56Å; V64-W210 HydrophobicContact CG1-CZ3 4.49Å
65S90.1Very high84.3Confident10 Ų1037 Ų377%0.0721%0.211CC..Hα-helixtrans-59-43.1179-61.20000112.3N61 F67 D69 W210 G216 G217N61-S65 PolarHBondContact O-N 3.01Å; N61-S65 PolarHBondContact O-OG 3.47Å; N61-S65 VanDerWaalsContact O-OG 3.1Å; S65-F67 VanDerWaalsContact C-N 3.35Å; S65-D69 WeakPolarHBondContact O-CB 3.49Å; S65-D69 PolarHBondContact O-N 2.75Å; S65-W210 PolarHBondContact OG-NE1 3.4Å; S65-G216 WeakPolarHBondContact CB-O 3.43Å; S65-G216 PolarHBondContact OG-O 3.32Å; S65-G217 VanDerWaalsContact OG-CA 3.27Å; S65-G217 WeakPolarHBondContact OG-CA 3.26Å
66T86.6Confident84.7Confident23 Ų2336.6 Ų36.614%0.14120%0.2CC..Hα-helixtrans-64.3-42.8177.3-50.40000110.7L6 K9 K62 K63 V64 V70L6-T66 HydrophobicContact CD1-CG2 4.02Å; K9-T66 HydrophobicContact CD-CG2 4.41Å; K9-T66 PolarHBondContact NZ-OG1 3.11Å; K62-T66 WeakPolarHBondContact O-CB 3.49Å; K62-T66 PolarHBondContact O-N 2.98Å; K62-T66 VanDerWaalsContact O-N 3.08Å; K62-T66 PolarHBondContact O-OG1 3.48Å; K63-T66 PolarHBondContact O-N 2.87Å; V64-T66 VanDerWaalsContact C-N 3.33Å; V64-T66 PolarHBondContact O-N 2.91Å; T66-V70 WeakPolarHBondContact O-CB 3.37Å; T66-V70 VanDerWaalsContact O-CG2 3.31Å; T66-V70 WeakPolarHBondContact O-CG2 3.48Å; T66-V70 PolarHBondContact O-N 3.49Å
67F89.3Confident85.5Confident7 Ų738.7 Ų38.73%0.03120%0.199CC..Hα-helixtrans-63-49.7178.6168-100.9000111.9I49 V52 L53 L58 K63 V64 S65 D69 V70 V71 Y145 L148I49-F67 HydrophobicContact CG1-CE2 4.18Å; I49-F67 HydrophobicContact CG1-CZ 4.3Å; I49-F67 HydrophobicContact CG2-CE2 4.24Å; I49-F67 HydrophobicContact CG2-CZ 3.79Å; V52-F67 HydrophobicContact CB-CE2 4.21Å; V52-F67 HydrophobicContact CG1-CD2 3.93Å; V52-F67 HydrophobicContact CG1-CE2 4.01Å; L53-F67 HydrophobicContact CD2-CZ 4.41Å; L58-F67 HydrophobicContact CD1-CD1 4.06Å; L58-F67 HydrophobicContact CD1-CE1 4.36Å; L58-F67 HydrophobicContact CD1-CG 4.33Å; L58-F67 HydrophobicContact CD2-CB 3.72Å; L58-F67 HydrophobicContact CD2-CD1 4.41Å; L58-F67 HydrophobicContact CD2-CG 3.98Å; K63-F67 WeakPolarHBondContact O-CB 3.47Å; K63-F67 PolarHBondContact O-N 2.73Å; V64-F67 WeakPolarHBondContact O-CB 3.47Å; V64-F67 PolarHBondContact O-N 2.94Å; V64-F67 VanDerWaalsContact O-N 3.15Å; S65-F67 VanDerWaalsContact C-N 3.35Å; F67-D69 PolarHBondContact O-N 2.94Å; F67-V70 PolarHBondContact O-N 2.9Å; F67-V71 HydrophobicContact CD2-CG2 4.17Å; F67-V71 HydrophobicContact CE1-CG2 4.37Å; F67-V71 HydrophobicContact CE2-CG2 3.78Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.14Å; F67-V71 PolarHBondContact O-N 3.34Å; F67-Y145 HydrophobicContact CE1-CD1 4.46Å; F67-Y145 AromaticContact CE1-CE1 3.9Å; F67-Y145 HydrophobicContact CE1-CE1 3.9Å; F67-Y145 AromaticContact CZ-CE1 3.96Å; F67-Y145 HydrophobicContact CZ-CE1 3.96Å; F67-L148 HydrophobicContact CD1-CD1 4.48Å; F67-L148 HydrophobicContact CE1-CD1 4.35Å; F67-L148 HydrophobicContact CE1-CD2 4.18Å
68L91.3Very high86.5Confident5 Ų537.7 Ų37.73%0.02619%0.191CC..Hα-helixtrans-61.9-44.3179.7-71.7177.3000112.1V64 V71 E72 Y145 L148 W210 S243V64-L68 HydrophobicContact CG1-CD1 3.85Å; V64-L68 HydrophobicContact CG1-CG 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.77Å; L68-V71 PolarHBondContact O-N 2.83Å; L68-E72 WeakPolarHBondContact O-CB 3.33Å; L68-E72 PolarHBondContact O-N 2.93Å; L68-Y145 HydrophobicContact CD2-CE2 3.96Å; L68-L148 HydrophobicContact CD2-CD2 3.75Å; L68-W210 HydrophobicContact CD1-CB 4Å; L68-W210 HydrophobicContact CD1-CD2 4.23Å; L68-W210 HydrophobicContact CD1-CG 3.66Å; L68-S243 WeakPolarHBondContact CD2-OG 3.3Å
69D87.8Confident86.8Confident80 Ų8037.6 Ų37.643%0.42819%0.19SC..Hα-helixtrans-61.7-46.2176.9-179.362.8000111.6S65 F67 V71 E72 Q73S65-D69 WeakPolarHBondContact O-CB 3.49Å; S65-D69 PolarHBondContact O-N 2.75Å; F67-D69 PolarHBondContact O-N 2.94Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 3.42Å; D69-E72 PolarHBondContact O-N 3.41Å; D69-Q73 WeakPolarHBondContact O-CB 3.28Å; D69-Q73 WeakPolarHBondContact O-CG 3.39Å; D69-Q73 PolarHBondContact O-N 3.39Å
70V86.3Confident87.5Confident17 Ų1733.3 Ų33.310%0.10317%0.17CC..Hα-helixtrans-62.7-41.4178.3168.30000111.8M1 L6 T66 F67 A74M1-V70 HydrophobicContact CE-CG1 4.18Å; L6-V70 HydrophobicContact CD1-CB 4.28Å; L6-V70 HydrophobicContact CD1-CG1 4.47Å; L6-V70 HydrophobicContact CD1-CG2 4Å; L6-V70 HydrophobicContact CD2-CG1 4.28Å; T66-V70 WeakPolarHBondContact O-CB 3.37Å; T66-V70 VanDerWaalsContact O-CG2 3.31Å; T66-V70 WeakPolarHBondContact O-CG2 3.48Å; T66-V70 PolarHBondContact O-N 3.49Å; F67-V70 PolarHBondContact O-N 2.9Å; V70-A74 VanDerWaalsContact O-CB 3.22Å; V70-A74 WeakPolarHBondContact O-CB 3.46Å; V70-A74 PolarHBondContact O-N 2.82Å
71V90.4Very high87.8Confident3 Ų335.4 Ų35.42%0.01817%0.172CC..Hα-helixtrans-65-44.4177172.60000110.9I49 F67 L68 D69 Q73 A74 L75 L143 Y145I49-V71 HydrophobicContact CD1-CG1 3.94Å; I49-V71 HydrophobicContact CD1-CG2 3.87Å; I49-V71 HydrophobicContact CG1-CG2 3.86Å; F67-V71 HydrophobicContact CD2-CG2 4.17Å; F67-V71 HydrophobicContact CE1-CG2 4.37Å; F67-V71 HydrophobicContact CE2-CG2 3.78Å; F67-V71 HydrophobicContact CZ-CG2 3.88Å; F67-V71 VanDerWaalsContact O-CG2 3.29Å; F67-V71 WeakPolarHBondContact O-CG2 3.14Å; F67-V71 PolarHBondContact O-N 3.34Å; L68-V71 PolarHBondContact O-N 2.83Å; D69-V71 VanDerWaalsContact C-N 3.34Å; D69-V71 PolarHBondContact O-N 3.42Å; V71-Q73 PolarHBondContact O-N 2.8Å; V71-A74 PolarHBondContact O-N 2.79Å; V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.46Å; V71-L75 WeakPolarHBondContact O-CG 3.46Å; V71-L75 PolarHBondContact O-N 2.94Å; V71-L143 HydrophobicContact CG1-CD2 3.41Å; V71-L143 VanDerWaalsContact CG1-CD2 3.41Å; V71-Y145 WeakPolarHBondContact CG1-OH 3.44Å
72E89.9Confident87.8Confident25 Ų2534.2 Ų34.212%0.11717%0.165CC..Hα-helixtrans-59.2-48.6177.2-169.6-172.6151.200111.4L68 D69 L75 K76 S177L68-E72 WeakPolarHBondContact O-CB 3.33Å; L68-E72 PolarHBondContact O-N 2.93Å; D69-E72 PolarHBondContact O-N 3.41Å; E72-L75 PolarHBondContact O-N 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.26Å; E72-K76 VanDerWaalsContact OE1-CE 3.31Å; E72-K76 WeakPolarHBondContact OE1-CE 3.43Å; E72-K76 IonicContact OE1-NZ 2.86Å; E72-K76 PolarHBondContact OE1-NZ 3.32Å; E72-S177 PolarHBondContact O-OG 2.85Å
73Q86.9Confident87.4Confident90 Ų9035.7 Ų35.742%0.42117%0.172SC..Hα-helixtrans-64.8-39.8179.2-64.8-67.9-3.200112.4D69 V71 K76 F77D69-Q73 WeakPolarHBondContact O-CB 3.28Å; D69-Q73 WeakPolarHBondContact O-CG 3.39Å; D69-Q73 PolarHBondContact O-N 3.39Å; V71-Q73 PolarHBondContact O-N 2.8Å; Q73-K76 PolarHBondContact O-N 3.12Å; Q73-F77 WeakPolarHBondContact O-CB 3.24Å; Q73-F77 PolarHBondContact O-N 3.26Å
74A88.6Confident87Confident3 Ų336 Ų363%0.02518%0.179CC..Hα-helixtrans-65-41.7177.200000111.5M1 L45 V70 V71 F77 I78M1-A74 HydrophobicContact CE-CB 4.12Å; L45-A74 HydrophobicContact CD1-CB 3.77Å; L45-A74 HydrophobicContact CD2-CB 3.74Å; L45-A74 HydrophobicContact CG-CB 4.4Å; V70-A74 VanDerWaalsContact O-CB 3.22Å; V70-A74 WeakPolarHBondContact O-CB 3.46Å; V70-A74 PolarHBondContact O-N 2.82Å; V71-A74 PolarHBondContact O-N 2.79Å; A74-F77 PolarHBondContact O-N 2.99Å; A74-I78 WeakPolarHBondContact O-CB 3.31Å; A74-I78 VanDerWaalsContact O-CG1 3.23Å; A74-I78 WeakPolarHBondContact O-CG1 3.41Å; A74-I78 PolarHBondContact O-N 2.05Å
75L89.9Confident86.1Confident4 Ų441 Ų412%0.02121%0.212CC..Hα-helixtrans-63.2-41.7175.3-71.9171.2000112L42 L45 V71 E72 F77 I78 G79 L96 L143L42-L75 HydrophobicContact CD1-CD2 4.18Å; L45-L75 HydrophobicContact CD2-CD2 3.97Å; L45-L75 HydrophobicContact CD2-CG 4.18Å; V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.46Å; V71-L75 WeakPolarHBondContact O-CG 3.46Å; V71-L75 PolarHBondContact O-N 2.94Å; E72-L75 PolarHBondContact O-N 3.25Å; L75-F77 VanDerWaalsContact C-N 3.3Å; L75-F77 PolarHBondContact O-N 3.04Å; L75-I78 PolarHBondContact O-N 2.8Å; L75-G79 PolarHBondContact O-N 3.31Å; L75-L96 HydrophobicContact CD2-CD1 4.11Å; L75-L96 HydrophobicContact CD2-CD2 4.26Å; L75-L143 HydrophobicContact CD1-CB 4.27Å; L75-L143 HydrophobicContact CD1-CD2 4.09Å
76K87.8Confident85.3Confident40 Ų4042.3 Ų42.317%0.17423%0.227CC..Hα-helixtrans-60.7-40.7174-69.5-176.7-176.9169.30111.8E72 Q73 P80 S177 V178E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.26Å; E72-K76 VanDerWaalsContact OE1-CE 3.31Å; E72-K76 WeakPolarHBondContact OE1-CE 3.43Å; E72-K76 IonicContact OE1-NZ 2.86Å; E72-K76 PolarHBondContact OE1-NZ 3.32Å; Q73-K76 PolarHBondContact O-N 3.12Å; K76-P80 VanDerWaalsContact O-CD 3.31Å; K76-P80 WeakPolarHBondContact O-CD 3.08Å; K76-S177 VanDerWaalsContact CE-OG 3.28Å; K76-S177 WeakPolarHBondContact CE-OG 3.33Å; K76-S177 WeakPolarHBondContact CG-OG 3.4Å; K76-V178 WeakPolarHBondContact CE-O 3.36Å; K76-V178 WeakPolarHBondContact CG-O 2.95Å
77F86.8Confident85.1Confident83 Ų8341.6 Ų41.636%0.36422%0.223SC..Hα-helixtrans-71.5-41179.9178.5-99.5000113.3L41 Q73 A74 L75 P80 F81L41-F77 HydrophobicContact CD1-CE1 4.46Å; Q73-F77 WeakPolarHBondContact O-CB 3.24Å; Q73-F77 PolarHBondContact O-N 3.26Å; A74-F77 PolarHBondContact O-N 2.99Å; L75-F77 VanDerWaalsContact C-N 3.3Å; L75-F77 PolarHBondContact O-N 3.04Å; F77-P80 WeakPolarHBondContact O-CD 3.37Å; F77-F81 HydrophobicContact CE1-CE2 4.43Å; F77-F81 HydrophobicContact CE2-CE2 4.43Å; F77-F81 HydrophobicContact CZ-CE2 4.23Å; F77-F81 VanDerWaalsContact O-CD2 3.31Å; F77-F81 WeakPolarHBondContact O-CD2 3.28Å; F77-F81 WeakPolarHBondContact O-CE2 3.18Å
78I87.6Confident84.9Confident4 Ų447.6 Ų47.62%0.02125%0.251CS..Hα-helixtrans-77.1-36-176.3-67.1167.5000111.4L41 L42 L45 A74 L75 P80 F81 I82L41-I78 HydrophobicContact CB-CD1 4.04Å; L41-I78 HydrophobicContact CB-CG1 3.97Å; L41-I78 HydrophobicContact CB-CG2 4.32Å; L41-I78 HydrophobicContact CD1-CG1 4.45Å; L42-I78 HydrophobicContact CB-CG2 4.05Å; L42-I78 HydrophobicContact CD1-CG2 4.17Å; L45-I78 HydrophobicContact CB-CD1 4.02Å; L45-I78 HydrophobicContact CD2-CD1 3.78Å; A74-I78 WeakPolarHBondContact O-CB 3.31Å; A74-I78 VanDerWaalsContact O-CG1 3.23Å; A74-I78 WeakPolarHBondContact O-CG1 3.41Å; A74-I78 PolarHBondContact O-N 2.05Å; L75-I78 PolarHBondContact O-N 2.8Å; I78-P80 VanDerWaalsContact C-CD 3.41Å; I78-F81 PolarHBondContact O-N 3.37Å; I78-I82 HydrophobicContact CG2-CD1 4.25Å; I78-I82 HydrophobicContact CG2-CG1 4.18Å
79G86.8Confident84.7Confident0 Ų052.9 Ų52.90%027%0.27CS..G310 helixtrans-45.4-47.8-174.400000115.7L75 F81 I82 V100L75-G79 PolarHBondContact O-N 3.31Å; G79-F81 PolarHBondContact O-N 3.06Å; G79-I82 PolarHBondContact O-N 2.91Å; G79-V100 WeakPolarHBondContact O-CG2 3.41Å
80P85.4Confident84.7Confident43 Ų4353.2 Ų53.228%0.27928%0.279SS..G310 helixtrans-63.5-21.2-179.1-20.932.5000114.6K76 F77 I78 F137K76-P80 VanDerWaalsContact O-CD 3.31Å; K76-P80 WeakPolarHBondContact O-CD 3.08Å; F77-P80 WeakPolarHBondContact O-CD 3.37Å; I78-P80 VanDerWaalsContact C-CD 3.41Å; P80-F137 HydrophobicContact CB-CD1 4.45Å; P80-F137 HydrophobicContact CB-CD2 4.22Å; P80-F137 HydrophobicContact CB-CE1 4.19Å; P80-F137 HydrophobicContact CB-CE2 4Å; P80-F137 HydrophobicContact CB-CG 4.45Å; P80-F137 HydrophobicContact CB-CZ 3.97Å; P80-F137 HydrophobicContact CG-CD2 4.06Å; P80-F137 HydrophobicContact CG-CE1 4.27Å; P80-F137 HydrophobicContact CG-CE2 3.44Å; P80-F137 VanDerWaalsContact CG-CE2 3.44Å; P80-F137 HydrophobicContact CG-CZ 3.55Å
81F86.1Confident84.9Confident71 Ų7154.6 Ų54.631%0.31129%0.287SS..G310 helixtrans-92.7-1.6-177.9-58.5-73.1000113.4L36 F77 I78 G79L36-F81 HydrophobicContact CB-CD1 4.15Å; L36-F81 HydrophobicContact CB-CE1 4.48Å; L36-F81 HydrophobicContact CD2-CB 4.45Å; L36-F81 HydrophobicContact CD2-CD1 3.65Å; L36-F81 HydrophobicContact CD2-CD2 3.78Å; L36-F81 HydrophobicContact CD2-CE1 3.68Å; L36-F81 HydrophobicContact CD2-CE2 3.81Å; L36-F81 HydrophobicContact CD2-CG 3.69Å; L36-F81 HydrophobicContact CD2-CZ 3.76Å; L36-F81 HydrophobicContact CG-CD1 4.28Å; L36-F81 HydrophobicContact CG-CG 4.35Å; F77-F81 HydrophobicContact CE1-CE2 4.43Å; F77-F81 HydrophobicContact CE2-CE2 4.43Å; F77-F81 HydrophobicContact CZ-CE2 4.23Å; F77-F81 VanDerWaalsContact O-CD2 3.31Å; F77-F81 WeakPolarHBondContact O-CD2 3.28Å; F77-F81 WeakPolarHBondContact O-CE2 3.18Å; I78-F81 PolarHBondContact O-N 3.37Å; G79-F81 PolarHBondContact O-N 3.06Å
82I86.4Confident84.5Confident6 Ų658.5 Ų58.53%0.03132%0.315CS..  trans-83.9119178.2-64-73.6000109G38 E39 L42 I78 G79 T87 L98 V100G38-I82 VanDerWaalsContact C-CD1 3.41Å; G38-I82 WeakPolarHBondContact O-CD1 3.31Å; E39-I82 HydrophobicContact CG-CD1 4.33Å; L42-I82 HydrophobicContact CB-CD1 4.24Å; L42-I82 HydrophobicContact CD2-CD1 3.99Å; I78-I82 HydrophobicContact CG2-CD1 4.25Å; I78-I82 HydrophobicContact CG2-CG1 4.18Å; G79-I82 PolarHBondContact O-N 2.91Å; I82-T87 WeakPolarHBondContact CG2-OG1 3.48Å; I82-L98 HydrophobicContact CB-CD2 4.13Å; I82-L98 HydrophobicContact CD1-CD2 4.4Å; I82-L98 HydrophobicContact CG1-CD2 3.62Å; I82-L98 HydrophobicContact CG2-CD2 4.2Å; I82-V100 HydrophobicContact CB-CG2 4Å; I82-V100 HydrophobicContact CG2-CG2 4.13Å
83K78.6Confident84.4Confident169 Ų16959.4 Ų59.474%0.73532%0.319SS*.  trans-87-26.4-172.5-64.4-178-178.6176.40112.9
84T74.6Confident84.6Confident72 Ų7255.3 Ų55.344%0.44230%0.3SS..SBendtrans-90.9121.1-179.140.90000110.6E39 G86 T87E39-T84 PolarHBondContact OE1-OG1 3.49Å; T84-G86 PolarHBondContact O-N 2.9Å; T84-T87 PolarHBondContact O-OG1 2.93Å; T84-T87 PolarHBondContact OG1-OG1 3.28Å
85P71.3Confident84.9Confident106 Ų10657.6 Ų57.669%0.68831%0.31SS*.THydrogen-bonded Turntrans-68.7124.7172.725.5-29.9000109.9
86G73.6Confident85.1Confident38 Ų3857.5 Ų57.539%0.39231%0.31SS..THydrogen-bonded Turntrans82.250.8177.700000113.7T84 Q88 L98T84-G86 PolarHBondContact O-N 2.9Å; G86-Q88 PolarHBondContact O-N 3.4Å; G86-L98 CarbonylContact C-O 3.58Å; G86-L98 WeakPolarHBondContact CA-O 3.33Å
87T81.4Confident85.4Confident8 Ų857.1 Ų57.15%0.04931%0.309CS..EExtended strand (participates in β ladder)trans-74.5113.9175.3-63.80000109.8E39 L42 I82 T84 R89 L98E39-T87 PolarHBondContact OE1-OG1 2.74Å; L42-T87 HydrophobicContact CD2-CG2 4.18Å; I82-T87 WeakPolarHBondContact CG2-OG1 3.48Å; T84-T87 PolarHBondContact O-OG1 2.93Å; T84-T87 PolarHBondContact OG1-OG1 3.28Å; T87-R89 HydrophobicContact CG2-CG 3.94Å; T87-L98 PolarHBondContact N-O 2.91Å; T87-L98 PolarHBondContact O-N 3.38Å
88Q86Confident85.7Confident132 Ų13253.3 Ų53.362%0.61729%0.292SS*.EExtended strand (participates in β ladder)trans-102.8130.7170.4-160.1179.424.100110G86 L96G86-Q88 PolarHBondContact O-N 3.4Å; Q88-L96 CarbonylContact C-O 3.56Å; Q88-L96 WeakPolarHBondContact CA-O 3.41Å
89R87.6Confident85.9Confident117 Ų11754.4 Ų54.444%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-133.8139.8178.3-63.4-64.9-177.7-156.41.9109.4E39 L42 L46 T87 L96E39-R89 IonicContact OE2-CZ 3.7Å; E39-R89 IonicContact OE2-NE 2.63Å; E39-R89 PolarHBondContact OE2-NE 2.99Å; E39-R89 IonicContact OE2-NH2 3.03Å; E39-R89 PolarHBondContact OE2-NH2 3.09Å; L42-R89 HydrophobicContact CD2-CG 4.29Å; L46-R89 HydrophobicContact CD1-CB 3.6Å; L46-R89 HydrophobicContact CD1-CG 4.16Å; T87-R89 HydrophobicContact CG2-CG 3.94Å; R89-L96 HydrophobicContact CB-CB 4.5Å; R89-L96 PolarHBondContact N-O 2.98Å; R89-L96 PolarHBondContact O-N 2.76Å
90S87.6Confident86.2Confident86 Ų8655 Ų5560%0.60130%0.301SS*.EExtended strand (participates in β ladder)trans-129.9138.3171.7-171.50000108.4T94S90-T94 CarbonylContact C-O 3.59Å; S90-T94 WeakPolarHBondContact CA-O 3.33Å
91T88.7Confident86.4Confident46 Ų4656.3 Ų56.328%0.28230%0.303SS..  trans-120.5-166.7171.267.70000109.3L46 D50 H93 T94L46-T91 HydrophobicContact CB-CG2 3.77Å; L46-T91 HydrophobicContact CD1-CG2 4.29Å; D50-T91 WeakPolarHBondContact OD1-CB 3.31Å; D50-T91 PolarHBondContact OD1-OG1 3.41Å; D50-T91 WeakPolarHBondContact OD2-CB 2.98Å; D50-T91 PolarHBondContact OD2-OG1 3.48Å; D50-T91 VanDerWaalsContact OD2-OG1 3.09Å; T91-H93 PolarHBondContact OG1-N 3.14Å; T91-T94 PolarHBondContact N-O 2.76Å; T91-T94 PolarHBondContact OG1-N 2.03Å; T91-T94 PolarHBondContact OG1-O 2.78Å; T91-T94 PolarHBondContact OG1-OG1 3.02Å
92S83.1Confident86.4Confident86 Ų8657.9 Ų57.960%0.60132%0.319SS*.SBendtrans-72.3-29.5178.862.20000112.8D50D50-S92 PolarHBondContact OD2-N 2.89Å; D50-S92 PolarHBondContact OD2-OG 3.46Å
93H86.8Confident86.4Confident43 Ų4359 Ų5920%0.19933%0.332CS..SBendtrans-123.5-0.2-177.8-60.375.9000114.6D50 L53 T91 S146D50-H93 WeakPolarHBondContact OD1-CB 3.4Å; D50-H93 PolarHBondContact OD1-N 2.97Å; D50-H93 VanDerWaalsContact OD1-N 3.13Å; D50-H93 PolarHBondContact OD2-N 3.39Å; L53-H93 HydrophobicContact CB-CB 4.02Å; L53-H93 HydrophobicContact CD1-CB 3.75Å; T91-H93 PolarHBondContact OG1-N 3.14Å; H93-S146 VanDerWaalsContact CA-OG 3.24Å; H93-S146 WeakPolarHBondContact CA-OG 3.38Å; H93-S146 WeakPolarHBondContact CB-OG 2.96Å; H93-S146 PolarHBondContact CD2-OG 2.98Å; H93-S146 PolarHBondContact O-N 3.14Å; H93-S146 PolarHBondContact O-OG 3.13Å
94T92.2Very high86.6Confident4 Ų456.8 Ų56.83%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-138.5147.5179.766.40000114.1I49 L53 S90 T91 L143 S144 Y145I49-T94 HydrophobicContact CB-CG2 4.22Å; I49-T94 HydrophobicContact CG2-CG2 3.34Å; L53-T94 HydrophobicContact CD1-CG2 4.14Å; S90-T94 CarbonylContact C-O 3.59Å; S90-T94 WeakPolarHBondContact CA-O 3.33Å; T91-T94 PolarHBondContact N-O 2.76Å; T91-T94 PolarHBondContact OG1-N 2.03Å; T91-T94 PolarHBondContact OG1-O 2.78Å; T91-T94 PolarHBondContact OG1-OG1 3.02Å; T94-L143 HydrophobicContact CG2-CD1 4.26Å; T94-S144 VanDerWaalsContact CA-O 3.29Å; T94-S144 WeakPolarHBondContact CA-O 3.42Å; T94-Y145 HydrophobicContact CG2-CD1 4.14Å
95E94.1Very high87.2Confident51 Ų5156.6 Ų56.624%0.23834%0.344CS..EExtended strand (participates in β ladder)trans-125.3123.3167.1-68.4178.1179.600108.6S115 T116 L143 S144E95-S115 WeakPolarHBondContact OE2-CB 3.48Å; E95-T116 VanDerWaalsContact CD-OG1 3.23Å; E95-T116 WeakPolarHBondContact OE1-CB 3.41Å; E95-T116 PolarHBondContact OE1-OG1 2.74Å; E95-T116 VanDerWaalsContact OE2-CB 3.25Å; E95-T116 WeakPolarHBondContact OE2-CB 3.38Å; E95-T116 PolarHBondContact OE2-N 2.82Å; E95-T116 PolarHBondContact OE2-OG1 3.28Å; E95-L143 CarbonylContact O-C 3.58Å; E95-L143 WeakPolarHBondContact O-CA 3.47Å; E95-S144 PolarHBondContact N-O 3.41Å; E95-S144 PolarHBondContact O-N 2.57Å
96L94.5Very high87.9Confident2 Ų253.3 Ų53.31%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-121.5129.8-178.6175.970.1000110L42 L46 L75 Q88 R89 L98 L142 L143L42-L96 HydrophobicContact CD1-CD2 3.55Å; L42-L96 HydrophobicContact CD2-CD2 3.83Å; L42-L96 HydrophobicContact CG-CD2 3.97Å; L46-L96 HydrophobicContact CD1-CD2 4.33Å; L46-L96 HydrophobicContact CD2-CB 4.3Å; L46-L96 HydrophobicContact CD2-CD2 4.25Å; L75-L96 HydrophobicContact CD2-CD1 4.11Å; L75-L96 HydrophobicContact CD2-CD2 4.26Å; Q88-L96 CarbonylContact C-O 3.56Å; Q88-L96 WeakPolarHBondContact CA-O 3.41Å; R89-L96 HydrophobicContact CB-CB 4.5Å; R89-L96 PolarHBondContact N-O 2.98Å; R89-L96 PolarHBondContact O-N 2.76Å; L96-L98 HydrophobicContact CG-CB 4.46Å; L96-L142 WeakPolarHBondContact CA-O 3.22Å; L96-L143 HydrophobicContact CB-CD1 3.92Å; L96-L143 HydrophobicContact CD1-CB 4.05Å; L96-L143 HydrophobicContact CD1-CD1 4.21Å
97E94.7Very high88.6Confident33 Ų3352.1 Ų52.115%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-114.6128.5158-170.8175.8171.700109.2L113 L114 S141 L142E97-L113 HydrophobicContact CB-CD2 4.42Å; E97-L113 HydrophobicContact CG-CD2 4.41Å; E97-L113 WeakPolarHBondContact O-CD2 3.43Å; E97-L113 WeakPolarHBondContact OE2-CA 3.48Å; E97-L114 WeakPolarHBondContact OE2-CA 3.35Å; E97-L114 PolarHBondContact OE2-N 2.94Å; E97-L114 VanDerWaalsContact OE2-O 3.09Å; E97-S141 CarbonylContact O-C 3.54Å; E97-S141 WeakPolarHBondContact O-CA 3.47Å; E97-L142 PolarHBondContact N-O 2.62Å; E97-L142 PolarHBondContact O-N 2.78Å
98L93.2Very high88.9Confident2 Ų258.1 Ų58.11%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-128.1125.9-179.217671.8000110.2L42 I82 G86 T87 L96 V100 V140L42-L98 HydrophobicContact CD2-CD2 4.33Å; I82-L98 HydrophobicContact CB-CD2 4.13Å; I82-L98 HydrophobicContact CD1-CD2 4.4Å; I82-L98 HydrophobicContact CG1-CD2 3.62Å; I82-L98 HydrophobicContact CG2-CD2 4.2Å; G86-L98 CarbonylContact C-O 3.58Å; G86-L98 WeakPolarHBondContact CA-O 3.33Å; T87-L98 PolarHBondContact N-O 2.91Å; T87-L98 PolarHBondContact O-N 3.38Å; L96-L98 HydrophobicContact CG-CB 4.46Å; L98-V100 HydrophobicContact CG-CG2 4.3Å; L98-V140 WeakPolarHBondContact CA-O 3.2Å
99L92.3Very high89.2Confident28 Ų2854 Ų5415%0.14733%0.325CS..EExtended strand (participates in β ladder)trans-116.2129.9-179.4-144152.1000109.2K111 T139 V140L99-K111 HydrophobicContact CD1-CD 4.46Å; L99-T139 CarbonylContact O-C 3.46Å; L99-T139 WeakPolarHBondContact O-CA 3.45Å; L99-V140 PolarHBondContact N-O 3.4Å; L99-V140 PolarHBondContact O-N 2.76Å
100V91.6Very high89.4Confident11 Ų1153.5 Ų53.57%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-124.5130.8179.7-174.90000109G79 I82 L98 T102 T138 T139G79-V100 WeakPolarHBondContact O-CG2 3.41Å; I82-V100 HydrophobicContact CB-CG2 4Å; I82-V100 HydrophobicContact CG2-CG2 4.13Å; L98-V100 HydrophobicContact CG-CG2 4.3Å; V100-T102 HydrophobicContact CG1-CG2 4.24Å; V100-T138 WeakPolarHBondContact CA-O 3.21Å; V100-T139 HydrophobicContact CG1-CG2 4.31Å; V100-T139 HydrophobicContact CG2-CG2 4.21Å
101H89.8Confident89.7Confident71 Ų7154.1 Ų54.133%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-119130.2170.1179.976.6000108.7P107 M124 F137 T138H101-P107 HydrophobicContact CB-CG 4.28Å; H101-P107 VanDerWaalsContact CD2-CG 3.5Å; H101-P107 WeakPolarHBondContact CD2-CG 3.48Å; H101-M124 HydrophobicContact CB-CE 4.13Å; H101-F137 CarbonylContact O-C 3.42Å; H101-F137 WeakPolarHBondContact O-CA 3.4Å; H101-T138 PolarHBondContact N-O 3Å; H101-T138 PolarHBondContact O-N 2.98Å
102T87.4Confident90Very high105 Ų10554.7 Ų54.764%0.64433%0.326SS*.EExtended strand (participates in β ladder)trans-118.1132.2176.149.50000109.4V100 F137V100-T102 HydrophobicContact CG1-CG2 4.24Å; T102-F137 HydrophobicContact CG2-CB 4.24Å
103G85.4Confident90.6Very high29 Ų2950.6 Ų50.630%0.29930%0.298SS..SBendtrans166.4155-176.400000112.1A105 Y134 G136G103-A105 VanDerWaalsContact C-N 3.28Å; G103-Y134 VanDerWaalsContact O-CE1 3.29Å; G103-Y134 WeakPolarHBondContact O-CE1 3.23Å; G103-G136 PolarHBondContact N-O 3.5Å; G103-G136 CarbonylContact O-C 3.19Å; G103-G136 VanDerWaalsContact O-CA 3.24Å; G103-G136 WeakPolarHBondContact O-CA 3.42Å
104S81.7Confident91Very high123 Ų12353 Ų5386%0.8631%0.311SS*.SBendtrans-74.3-20.617651.80000113.2
105A87.6Confident91Very high68 Ų6853.7 Ų53.756%0.56232%0.316SS*.SBendtrans-96.4141.3178.800000111.2G103 P107G103-A105 VanDerWaalsContact C-N 3.28Å; A105-P107 WeakPolarHBondContact O-CD 3.22Å
106I86.6Confident90.9Very high36 Ų3655.6 Ų55.619%0.18533%0.332CS..PPolyproline II helixtrans-68124.1178.2-64.7168.8000109.6Q108 K125 A128 P131 Y134I106-Q108 PolarHBondContact O-N 3.32Å; I106-Q108 PolarHBondContact O-NE2 2.81Å; I106-K125 HydrophobicContact CG2-CG 4.49Å; I106-A128 HydrophobicContact CG2-CB 3.68Å; I106-P131 HydrophobicContact CD1-CB 3.57Å; I106-P131 HydrophobicContact CD1-CG 3.57Å; I106-Y134 HydrophobicContact CG1-CD1 4.01Å; I106-Y134 HydrophobicContact CG1-CD2 4.33Å; I106-Y134 HydrophobicContact CG1-CE1 4.3Å; I106-Y134 HydrophobicContact CG1-CG 4.02Å
107P88.6Confident90.8Very high13 Ų1358.3 Ų58.38%0.08434%0.344CS..PPolyproline II helixtrans-62.5135.5178.323-31.1000111H101 A105 M124 K125 T138H101-P107 HydrophobicContact CB-CG 4.28Å; H101-P107 VanDerWaalsContact CD2-CG 3.5Å; H101-P107 WeakPolarHBondContact CD2-CG 3.48Å; A105-P107 WeakPolarHBondContact O-CD 3.22Å; P107-M124 HydrophobicContact CB-CB 3.82Å; P107-M124 HydrophobicContact CB-CE 3.92Å; P107-M124 HydrophobicContact CB-CG 4.29Å; P107-M124 HydrophobicContact CG-CB 3.97Å; P107-M124 HydrophobicContact CG-CE 3.64Å; P107-M124 CarbonylContact O-C 3.45Å; P107-M124 WeakPolarHBondContact O-CB 3.25Å; P107-K125 PolarHBondContact O-N 3.45Å; P107-T138 WeakPolarHBondContact CD-OG1 3.45Å; P107-T138 HydrophobicContact CG-CG2 4.21Å; P107-T138 VanDerWaalsContact CG-OG1 3.31Å; P107-T138 WeakPolarHBondContact CG-OG1 3.06Å
108Q88.5Confident90.8Very high135 Ų13556.8 Ų56.863%0.63134%0.337SS*.  trans-107.7159.9177.9-62.3-59.5-37.100111.2I106I106-Q108 PolarHBondContact O-N 3.32Å; I106-Q108 PolarHBondContact O-NE2 2.81Å
109G90.6Very high91Very high44 Ų4460 Ų6045%0.45435%0.351SS..SBendtrans98.4172.4175.300000114.2K123 M124G109-K123 WeakPolarHBondContact O-CA 3.31Å; G109-M124 PolarHBondContact O-N 3.5Å
110L92.8Very high91.2Very high107 Ų10758.6 Ų58.656%0.5634%0.344SS*.EExtended strand (participates in β ladder)trans-86.6134.9178.6-168.974.8000109.6D121 K123L110-D121 HydrophobicContact CD1-CB 4.25Å; L110-D121 HydrophobicContact CD2-CB 4.42Å; L110-K123 HydrophobicContact CD1-CG 4.19Å
111K93.8Very high91.4Very high100 Ų10059.5 Ų59.544%0.43535%0.348SS..EExtended strand (participates in β ladder)trans-121.3141.5169.3-75.3-63.7-175.8179.80110.5L99 I122 M124L99-K111 HydrophobicContact CD1-CD 4.46Å; K111-I122 PolarHBondContact N-O 2.94Å; K111-I122 PolarHBondContact O-N 3.5Å; K111-M124 HydrophobicContact CB-CG 4.23Å; K111-M124 HydrophobicContact CB-SD 3.91Å; K111-M124 HydrophobicContact CG-CG 3.58Å; K111-M124 HydrophobicContact CG-SD 3.56Å; K111-M124 VanDerWaalsContact CG-SD 3.56Å
112T94.9Very high91.6Very high57 Ų5756.2 Ų56.235%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-111.6130.2179.4-58.20000108.6L114 K119 V120 D121T112-L114 HydrophobicContact CG2-CD2 4.04Å; T112-L114 HydrophobicContact CG2-CG 4.22Å; T112-K119 HydrophobicContact CG2-CD 3.96Å; T112-K119 VanDerWaalsContact CG2-CE 3.44Å; T112-K119 HydrophobicContact CG2-CG 3.76Å; T112-V120 CarbonylContact C-O 3.44Å; T112-V120 VanDerWaalsContact CA-O 3.23Å; T112-V120 WeakPolarHBondContact CA-O 3.31Å; T112-D121 WeakPolarHBondContact CB-OD1 3.41Å; T112-D121 WeakPolarHBondContact CG2-OD1 3.3Å; T112-D121 PolarHBondContact OG1-OD1 2.94Å
113L95.1Very high92Very high1 Ų155.5 Ų55.51%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-113.8148.5168.4-64.984.6000108.6E97 K119 V120 I122 V140 L142E97-L113 HydrophobicContact CB-CD2 4.42Å; E97-L113 HydrophobicContact CG-CD2 4.41Å; E97-L113 WeakPolarHBondContact O-CD2 3.43Å; E97-L113 WeakPolarHBondContact OE2-CA 3.48Å; L113-K119 CarbonylContact O-C 3.6Å; L113-K119 VanDerWaalsContact O-CA 3.28Å; L113-K119 WeakPolarHBondContact O-CA 3.16Å; L113-V120 PolarHBondContact N-O 3.48Å; L113-V120 PolarHBondContact O-N 2.79Å; L113-I122 HydrophobicContact CD1-CG2 4.38Å; L113-V140 HydrophobicContact CD1-CB 4.24Å; L113-V140 HydrophobicContact CD1-CG1 3.52Å; L113-V140 HydrophobicContact CD2-CB 4.32Å; L113-V140 HydrophobicContact CD2-CG1 3.84Å; L113-V140 HydrophobicContact CG-CG1 4.38Å; L113-L142 HydrophobicContact CB-CB 3.86Å; L113-L142 HydrophobicContact CB-CD2 4Å; L113-L142 HydrophobicContact CD2-CB 3.96Å
114L94.9Very high92.3Very high92 Ų9254.4 Ų54.448%0.48231%0.308SS..EExtended strand (participates in β ladder)trans-132.9137.2-170-63.4170.2000110.9E97 T112 K119E97-L114 WeakPolarHBondContact OE2-CA 3.35Å; E97-L114 PolarHBondContact OE2-N 2.94Å; E97-L114 VanDerWaalsContact OE2-O 3.09Å; T112-L114 HydrophobicContact CG2-CD2 4.04Å; T112-L114 HydrophobicContact CG2-CG 4.22Å; L114-K119 HydrophobicContact CD2-CB 3.85Å; L114-K119 HydrophobicContact CD2-CD 3.97Å; L114-K119 HydrophobicContact CD2-CG 3.73Å
115S93.5Very high92.7Very high19 Ų1953.4 Ų53.413%0.13329%0.288CS..  trans-130.8175160.377.10000108.8E95 H117 A118E95-S115 WeakPolarHBondContact OE2-CB 3.48Å; S115-H117 PolarHBondContact O-N 3.13Å; S115-H117 PolarHBondContact OG-N 3.35Å; S115-A118 PolarHBondContact N-O 3.21Å; S115-A118 VanDerWaalsContact O-O 3.09Å; S115-A118 PolarHBondContact OG-N 2.92Å; S115-A118 PolarHBondContact OG-O 2.84Å
116T91.2Very high92.9Very high92 Ų9250.7 Ų50.756%0.56426%0.264SS*.SBendtrans-60-32.5176.8-58.20000112E95E95-T116 VanDerWaalsContact CD-OG1 3.23Å; E95-T116 WeakPolarHBondContact OE1-CB 3.41Å; E95-T116 PolarHBondContact OE1-OG1 2.74Å; E95-T116 VanDerWaalsContact OE2-CB 3.25Å; E95-T116 WeakPolarHBondContact OE2-CB 3.38Å; E95-T116 PolarHBondContact OE2-N 2.82Å; E95-T116 PolarHBondContact OE2-OG1 3.28Å
117H92.6Very high93.1Very high59 Ų5949 Ų4927%0.27326%0.255SS..SBendtrans-113.9-2.4-173.3-63.189.1000114.3S115 K172 H195S115-H117 PolarHBondContact O-N 3.13Å; S115-H117 PolarHBondContact OG-N 3.35Å; H117-K172 HydrophobicContact CB-CB 3.99Å; H117-K172 HydrophobicContact CB-CG 3.81Å; H117-H195 PolarHBondContact O-N 2.88Å
118A95.6Very high93.2Very high1 Ų148.6 Ų48.61%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-151.3157.9-179.200000113.6S115 V174 T193 L194S115-A118 PolarHBondContact N-O 3.21Å; S115-A118 VanDerWaalsContact O-O 3.09Å; S115-A118 PolarHBondContact OG-N 2.92Å; S115-A118 PolarHBondContact OG-O 2.84Å; A118-V174 HydrophobicContact CB-CB 4.48Å; A118-V174 HydrophobicContact CB-CG1 3.62Å; A118-V174 HydrophobicContact CB-CG2 4.44Å; A118-T193 CarbonylContact C-O 3.45Å; A118-T193 WeakPolarHBondContact CA-O 3.29Å; A118-L194 HydrophobicContact CB-CD2 3.77Å
119K96.6Very high93.2Very high68 Ų6842.7 Ų42.730%0.29623%0.229SC..EExtended strand (participates in β ladder)trans-136.8136.9170.6166.8-175.4162.5-169.20108.6T112 L113 L114 D121 I192 T193T112-K119 HydrophobicContact CG2-CD 3.96Å; T112-K119 VanDerWaalsContact CG2-CE 3.44Å; T112-K119 HydrophobicContact CG2-CG 3.76Å; L113-K119 CarbonylContact O-C 3.6Å; L113-K119 VanDerWaalsContact O-CA 3.28Å; L113-K119 WeakPolarHBondContact O-CA 3.16Å; L114-K119 HydrophobicContact CD2-CB 3.85Å; L114-K119 HydrophobicContact CD2-CD 3.97Å; L114-K119 HydrophobicContact CD2-CG 3.73Å; K119-D121 WeakPolarHBondContact CE-OD1 2.9Å; K119-D121 WeakPolarHBondContact CE-OD2 3.49Å; K119-D121 IonicContact NZ-OD1 2.62Å; K119-D121 IonicContact NZ-OD2 3.75Å; K119-D121 PolarHBondContact NZ-OD2 2.95Å; K119-D121 VanDerWaalsContact NZ-OD2 3.09Å; K119-I192 CarbonylContact O-C 3.55Å; K119-I192 WeakPolarHBondContact O-CA 3.39Å; K119-T193 PolarHBondContact N-O 3.38Å; K119-T193 PolarHBondContact O-N 2.98Å
120V96.8Very high92.9Very high0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-121124.9177.7175.80000109.7T112 L113 I122 L142 V176 V190 I192T112-V120 CarbonylContact C-O 3.44Å; T112-V120 VanDerWaalsContact CA-O 3.23Å; T112-V120 WeakPolarHBondContact CA-O 3.31Å; L113-V120 PolarHBondContact N-O 3.48Å; L113-V120 PolarHBondContact O-N 2.79Å; V120-I122 HydrophobicContact CG1-CB 4.4Å; V120-L142 HydrophobicContact CB-CD2 4.48Å; V120-L142 HydrophobicContact CG2-CD1 3.73Å; V120-L142 HydrophobicContact CG2-CD2 3.99Å; V120-L142 HydrophobicContact CG2-CG 4.29Å; V120-V176 HydrophobicContact CG1-CG1 4.21Å; V120-V176 HydrophobicContact CG1-CG2 4.44Å; V120-V176 HydrophobicContact CG2-CG2 3.72Å; V120-V190 HydrophobicContact CG1-CG2 3.81Å; V120-I192 HydrophobicContact CG2-CG1 4.29Å; V120-I192 HydrophobicContact CG2-CG2 4.1Å
121D95.9Very high92.5Very high29 Ų2943.9 Ų43.916%0.15523%0.23CC..EExtended strand (participates in β ladder)trans-109.2110.1172.6-69.1-41.2000109L110 T112 K119 V190 N191L110-D121 HydrophobicContact CD1-CB 4.25Å; L110-D121 HydrophobicContact CD2-CB 4.42Å; T112-D121 WeakPolarHBondContact CB-OD1 3.41Å; T112-D121 WeakPolarHBondContact CG2-OD1 3.3Å; T112-D121 PolarHBondContact OG1-OD1 2.94Å; K119-D121 WeakPolarHBondContact CE-OD1 2.9Å; K119-D121 WeakPolarHBondContact CE-OD2 3.49Å; K119-D121 IonicContact NZ-OD1 2.62Å; K119-D121 IonicContact NZ-OD2 3.75Å; K119-D121 PolarHBondContact NZ-OD2 2.95Å; K119-D121 VanDerWaalsContact NZ-OD2 3.09Å; D121-V190 WeakPolarHBondContact O-CG2 3.45Å; D121-N191 HydrophobicContact CB-CB 4.35Å; D121-N191 PolarHBondContact N-O 3.06Å; D121-N191 PolarHBondContact O-N 3.49Å
122I94.4Very high92.1Very high3 Ų344 Ų442%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-128.7140.8-177.5-168.8167.8000111.4K111 L113 V120 A127 V140 V178 V190 L241K111-I122 PolarHBondContact N-O 2.94Å; K111-I122 PolarHBondContact O-N 3.5Å; L113-I122 HydrophobicContact CD1-CG2 4.38Å; V120-I122 HydrophobicContact CG1-CB 4.4Å; I122-A127 HydrophobicContact CD1-CB 4.22Å; I122-V140 HydrophobicContact CG2-CG1 3.88Å; I122-V140 HydrophobicContact CG2-CG2 4.36Å; I122-V178 HydrophobicContact CD1-CG1 3.95Å; I122-V190 HydrophobicContact CB-CG2 3.93Å; I122-V190 HydrophobicContact CD1-CG2 4.32Å; I122-V190 HydrophobicContact CG1-CG2 4.16Å; I122-L241 HydrophobicContact CD1-CD1 4.38Å; I122-L241 HydrophobicContact CD1-CD2 4.37Å
123K93.9Very high91.4Very high89 Ų8944.8 Ų44.839%0.38725%0.251SS..EExtended strand (participates in β ladder)trans-77.6128.9170.7-71.9-173.6177.6-175.40109.5G109 L110 K125 E126 A127 E188G109-K123 WeakPolarHBondContact O-CA 3.31Å; L110-K123 HydrophobicContact CD1-CG 4.19Å; K123-K125 PolarHBondContact O-N 3.29Å; K123-K125 VanDerWaalsContact O-N 3.11Å; K123-E126 HydrophobicContact CB-CG 4.26Å; K123-E126 PolarHBondContact O-N 3.31Å; K123-A127 PolarHBondContact O-N 2.89Å; K123-E188 VanDerWaalsContact CD-OE2 3.27Å; K123-E188 WeakPolarHBondContact CD-OE2 3.45Å; K123-E188 WeakPolarHBondContact CE-OE2 3.37Å; K123-E188 IonicContact NZ-OE1 2.69Å; K123-E188 PolarHBondContact NZ-OE1 3.45Å; K123-E188 IonicContact NZ-OE2 2.6Å; K123-E188 PolarHBondContact NZ-OE2 3.25Å
124M92.1Very high91.1Very high6 Ų646.3 Ų46.33%0.0326%0.257CS..Hα-helixtrans-60.1-26.9-177.1-72.4-60.9-67.400113.6H101 P107 G109 K111 A127 A128 T138 V140H101-M124 HydrophobicContact CB-CE 4.13Å; P107-M124 HydrophobicContact CB-CB 3.82Å; P107-M124 HydrophobicContact CB-CE 3.92Å; P107-M124 HydrophobicContact CB-CG 4.29Å; P107-M124 HydrophobicContact CG-CB 3.97Å; P107-M124 HydrophobicContact CG-CE 3.64Å; P107-M124 CarbonylContact O-C 3.45Å; P107-M124 WeakPolarHBondContact O-CB 3.25Å; G109-M124 PolarHBondContact O-N 3.5Å; K111-M124 HydrophobicContact CB-CG 4.23Å; K111-M124 HydrophobicContact CB-SD 3.91Å; K111-M124 HydrophobicContact CG-CG 3.58Å; K111-M124 HydrophobicContact CG-SD 3.56Å; K111-M124 VanDerWaalsContact CG-SD 3.56Å; M124-A127 PolarHBondContact O-N 2.79Å; M124-A128 WeakPolarHBondContact O-CB 3.39Å; M124-A128 PolarHBondContact O-N 2.98Å; M124-T138 HydrophobicContact CE-CG2 3.71Å; M124-V140 HydrophobicContact SD-CG2 4.12Å
125K91.4Very high90.5Very high103 Ų10345.5 Ų45.545%0.44826%0.257SS..Hα-helixtrans-61.5-41.9172.3-173.4-174.1174.5-167.70112.6I106 P107 K123 A127 A128 G129I106-K125 HydrophobicContact CG2-CG 4.49Å; P107-K125 PolarHBondContact O-N 3.45Å; K123-K125 PolarHBondContact O-N 3.29Å; K123-K125 VanDerWaalsContact O-N 3.11Å; K125-A127 VanDerWaalsContact C-N 3.35Å; K125-A128 PolarHBondContact O-N 2.96Å; K125-G129 PolarHBondContact O-N 3.33Å; K125-G129 VanDerWaalsContact O-N 3.15Å
126E91.6Very high90.2Very high11 Ų1145.8 Ų45.85%0.05126%0.263CS..Hα-helixtrans-69.8-34.7178.5-60.7-56.7126.200111.5K123 N180 N187 E188K123-E126 HydrophobicContact CB-CG 4.26Å; K123-E126 PolarHBondContact O-N 3.31Å; E126-N180 PolarHBondContact O-ND2 3.45Å; E126-N180 VanDerWaalsContact O-ND2 3.14Å; E126-N187 PolarHBondContact OE2-N 2.77Å; E126-E188 HydrophobicContact CG-CB 4.25Å; E126-E188 PolarHBondContact OE2-N 3.02Å
127A91.1Very high90.2Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-71.2-31.6175.400000113.6I122 K123 M124 K125 T138 V140 V178 S179 N180I122-A127 HydrophobicContact CD1-CB 4.22Å; K123-A127 PolarHBondContact O-N 2.89Å; M124-A127 PolarHBondContact O-N 2.79Å; K125-A127 VanDerWaalsContact C-N 3.35Å; A127-T138 HydrophobicContact CB-CG2 3.72Å; A127-V140 HydrophobicContact CB-CG2 3.53Å; A127-V178 HydrophobicContact CB-CB 4.12Å; A127-V178 HydrophobicContact CB-CG1 3.81Å; A127-S179 PolarHBondContact O-OG 3.46Å; A127-N180 WeakPolarHBondContact O-CB 3.4Å; A127-N180 PolarHBondContact O-N 3.12Å
128A90.6Very high90.2Very high4 Ų441.2 Ų41.23%0.03324%0.235CC..Hα-helixtrans-75.1-31.517700000112.5I106 M124 K125 Y134 T138I106-A128 HydrophobicContact CG2-CB 3.68Å; M124-A128 WeakPolarHBondContact O-CB 3.39Å; M124-A128 PolarHBondContact O-N 2.98Å; K125-A128 PolarHBondContact O-N 2.96Å; A128-Y134 HydrophobicContact CB-CD2 4.01Å; A128-Y134 HydrophobicContact CB-CE2 3.78Å; A128-T138 HydrophobicContact CB-CG2 4.08Å; A128-T138 WeakPolarHBondContact CB-OG1 3.18Å
129G87.7Confident90Very high12 Ų1241.3 Ų41.312%0.12424%0.235CC..  trans82.3-155.6-179.200000113.5K125K125-G129 PolarHBondContact O-N 3.33Å; K125-G129 VanDerWaalsContact O-N 3.15Å
130D85.1Confident89.9Confident90 Ų9038.1 Ų38.148%0.48122%0.222SC..  trans-66.2126.4-176.8-172.4-34.9000111.2S132 S133 Y134D130-S132 PolarHBondContact O-N 3.38Å; D130-S132 VanDerWaalsContact O-N 3.09Å; D130-S132 WeakPolarHBondContact OD1-CB 2.95Å; D130-S132 PolarHBondContact OD1-N 2.98Å; D130-S132 PolarHBondContact OD1-OG 2.81Å; D130-S132 PolarHBondContact OD2-OG 3.37Å; D130-S133 PolarHBondContact O-N 2.68Å; D130-S133 PolarHBondContact O-OG 2.91Å; D130-S133 VanDerWaalsContact O-OG 3.08Å; D130-Y134 PolarHBondContact O-N 2.96Å
131P83.9Confident89.8Confident85 Ų8538.3 Ų38.355%0.55222%0.223SC*.G310 helixtrans-51.3-31.6176.3-25.531.8000115.7I106 S133I106-P131 HydrophobicContact CD1-CB 3.57Å; I106-P131 HydrophobicContact CD1-CG 3.57Å; P131-S133 VanDerWaalsContact C-N 3.27Å; P131-S133 PolarHBondContact O-N 3.09Å
132S84.3Confident89.8Confident104 Ų10437 Ų3773%0.72722%0.216SC*.G310 helixtrans-69.9-24.3-179.8640000113.4D130D130-S132 PolarHBondContact O-N 3.38Å; D130-S132 VanDerWaalsContact O-N 3.09Å; D130-S132 WeakPolarHBondContact OD1-CB 2.95Å; D130-S132 PolarHBondContact OD1-N 2.98Å; D130-S132 PolarHBondContact OD1-OG 2.81Å; D130-S132 PolarHBondContact OD2-OG 3.37Å
133S81.8Confident89.9Confident72 Ų7236.8 Ų36.850%0.50322%0.215SC..G310 helixtrans-110.29.8-178.167.30000113.7D130 P131 P135D130-S133 PolarHBondContact O-N 2.68Å; D130-S133 PolarHBondContact O-OG 2.91Å; D130-S133 VanDerWaalsContact O-OG 3.08Å; P131-S133 VanDerWaalsContact C-N 3.27Å; P131-S133 PolarHBondContact O-N 3.09Å; S133-P135 WeakPolarHBondContact O-CD 3.47Å
134Y87.4Confident90Very high34 Ų3432.8 Ų32.813%0.13320%0.198CC..  trans-68118.7-172.2-175.5-121.1000111.9G103 I106 A128 D130 G136 F137 T138G103-Y134 VanDerWaalsContact O-CE1 3.29Å; G103-Y134 WeakPolarHBondContact O-CE1 3.23Å; I106-Y134 HydrophobicContact CG1-CD1 4.01Å; I106-Y134 HydrophobicContact CG1-CD2 4.33Å; I106-Y134 HydrophobicContact CG1-CE1 4.3Å; I106-Y134 HydrophobicContact CG1-CG 4.02Å; A128-Y134 HydrophobicContact CB-CD2 4.01Å; A128-Y134 HydrophobicContact CB-CE2 3.78Å; D130-Y134 PolarHBondContact O-N 2.96Å; Y134-G136 PolarHBondContact O-N 3.05Å; Y134-F137 WeakPolarHBondContact CE2-O 3.39Å; Y134-F137 VanDerWaalsContact OH-C 3.28Å; Y134-F137 PolarHBondContact OH-N 2.59Å; Y134-T138 VanDerWaalsContact CE2-OG1 3.24Å; Y134-T138 WeakPolarHBondContact CE2-OG1 3.37Å; Y134-T138 PolarHBondContact OH-OG1 2.72Å
135P83.9Confident90.1Very high74 Ų7432.5 Ų32.548%0.48120%0.196SC..  trans-81.76.7-172.834.3-37.5000114S133 F137S133-P135 WeakPolarHBondContact O-CD 3.47Å; P135-F137 HydrophobicContact CB-CD1 3.98Å; P135-F137 HydrophobicContact CB-CE1 3.51Å; P135-F137 HydrophobicContact CB-CZ 3.93Å; P135-F137 HydrophobicContact CG-CD1 3.89Å; P135-F137 HydrophobicContact CG-CD2 4.28Å; P135-F137 HydrophobicContact CG-CE1 3.56Å; P135-F137 HydrophobicContact CG-CE2 3.93Å; P135-F137 HydrophobicContact CG-CG 4.25Å; P135-F137 HydrophobicContact CG-CZ 3.58Å
136G87.3Confident90Very high26 Ų2629.7 Ų29.727%0.26819%0.19SC..SBendtrans84.413.1-176.900000114.5G103 Y134G103-G136 PolarHBondContact N-O 3.5Å; G103-G136 CarbonylContact O-C 3.19Å; G103-G136 VanDerWaalsContact O-CA 3.24Å; G103-G136 WeakPolarHBondContact O-CA 3.42Å; Y134-G136 PolarHBondContact O-N 3.05Å
137F89.8Confident89.9Confident55 Ų5531.2 Ų31.224%0.24120%0.198CC..EExtended strand (participates in β ladder)trans-148.6154172.664.3-96.5000111P80 H101 T102 Y134 P135 T139P80-F137 HydrophobicContact CB-CD1 4.45Å; P80-F137 HydrophobicContact CB-CD2 4.22Å; P80-F137 HydrophobicContact CB-CE1 4.19Å; P80-F137 HydrophobicContact CB-CE2 4Å; P80-F137 HydrophobicContact CB-CG 4.45Å; P80-F137 HydrophobicContact CB-CZ 3.97Å; P80-F137 HydrophobicContact CG-CD2 4.06Å; P80-F137 HydrophobicContact CG-CE1 4.27Å; P80-F137 HydrophobicContact CG-CE2 3.44Å; P80-F137 VanDerWaalsContact CG-CE2 3.44Å; P80-F137 HydrophobicContact CG-CZ 3.55Å; H101-F137 CarbonylContact O-C 3.42Å; H101-F137 WeakPolarHBondContact O-CA 3.4Å; T102-F137 HydrophobicContact CG2-CB 4.24Å; Y134-F137 WeakPolarHBondContact CE2-O 3.39Å; Y134-F137 VanDerWaalsContact OH-C 3.28Å; Y134-F137 PolarHBondContact OH-N 2.59Å; P135-F137 HydrophobicContact CB-CD1 3.98Å; P135-F137 HydrophobicContact CB-CE1 3.51Å; P135-F137 HydrophobicContact CB-CZ 3.93Å; P135-F137 HydrophobicContact CG-CD1 3.89Å; P135-F137 HydrophobicContact CG-CD2 4.28Å; P135-F137 HydrophobicContact CG-CE1 3.56Å; P135-F137 HydrophobicContact CG-CE2 3.93Å; P135-F137 HydrophobicContact CG-CG 4.25Å; P135-F137 HydrophobicContact CG-CZ 3.58Å; F137-T139 HydrophobicContact CD2-CG2 4.12Å
138T92.1Very high89.8Confident0 Ų031.2 Ų31.20%020%0.198CC..EExtended strand (participates in β ladder)trans-129.6129.1173-54.20000109.7V100 H101 P107 M124 A127 A128 Y134 S179V100-T138 WeakPolarHBondContact CA-O 3.21Å; H101-T138 PolarHBondContact N-O 3Å; H101-T138 PolarHBondContact O-N 2.98Å; P107-T138 WeakPolarHBondContact CD-OG1 3.45Å; P107-T138 HydrophobicContact CG-CG2 4.21Å; P107-T138 VanDerWaalsContact CG-OG1 3.31Å; P107-T138 WeakPolarHBondContact CG-OG1 3.06Å; M124-T138 HydrophobicContact CE-CG2 3.71Å; A127-T138 HydrophobicContact CB-CG2 3.72Å; A128-T138 HydrophobicContact CB-CG2 4.08Å; A128-T138 WeakPolarHBondContact CB-OG1 3.18Å; Y134-T138 VanDerWaalsContact CE2-OG1 3.24Å; Y134-T138 WeakPolarHBondContact CE2-OG1 3.37Å; Y134-T138 PolarHBondContact OH-OG1 2.72Å; T138-S179 VanDerWaalsContact CA-OG 3.32Å; T138-S179 WeakPolarHBondContact CA-OG 3.19Å
139T92.4Very high89.8Confident3 Ų331.6 Ų31.62%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-117.7143.4175.763.50000109.9L99 V100 F137 V178 S179L99-T139 CarbonylContact O-C 3.46Å; L99-T139 WeakPolarHBondContact O-CA 3.45Å; V100-T139 HydrophobicContact CG1-CG2 4.31Å; V100-T139 HydrophobicContact CG2-CG2 4.21Å; F137-T139 HydrophobicContact CD2-CG2 4.12Å; T139-V178 CarbonylContact O-C 3.56Å; T139-V178 WeakPolarHBondContact O-CA 3.42Å; T139-V178 WeakPolarHBondContact O-CB 3.1Å; T139-S179 PolarHBondContact N-OG 3.4Å; T139-S179 PolarHBondContact O-N 3.42Å; T139-S179 VanDerWaalsContact O-N 3.1Å; T139-S179 WeakPolarHBondContact OG1-CB 3.22Å; T139-S179 PolarHBondContact OG1-N 3.38Å; T139-S179 VanDerWaalsContact OG1-N 3.15Å
140V94.3Very high89.8Confident1 Ų136.8 Ų36.81%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-138.2125.2171.4-173.10000108L98 L99 L113 I122 M124 A127 S177 V178L98-V140 WeakPolarHBondContact CA-O 3.2Å; L99-V140 PolarHBondContact N-O 3.4Å; L99-V140 PolarHBondContact O-N 2.76Å; L113-V140 HydrophobicContact CD1-CB 4.24Å; L113-V140 HydrophobicContact CD1-CG1 3.52Å; L113-V140 HydrophobicContact CD2-CB 4.32Å; L113-V140 HydrophobicContact CD2-CG1 3.84Å; L113-V140 HydrophobicContact CG-CG1 4.38Å; I122-V140 HydrophobicContact CG2-CG1 3.88Å; I122-V140 HydrophobicContact CG2-CG2 4.36Å; M124-V140 HydrophobicContact SD-CG2 4.12Å; A127-V140 HydrophobicContact CB-CG2 3.53Å; V140-S177 CarbonylContact C-O 3.58Å; V140-S177 WeakPolarHBondContact CA-O 3.39Å; V140-V178 HydrophobicContact CB-CG1 4.5Å; V140-V178 HydrophobicContact CG1-CG1 4.22Å; V140-V178 HydrophobicContact CG2-CG1 4.24Å
141S94.7Very high89.9Confident3 Ų333.8 Ų33.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-125.2134.6176.563.70000111.3E97 V176 S177E97-S141 CarbonylContact O-C 3.54Å; E97-S141 WeakPolarHBondContact O-CA 3.47Å; S141-V176 WeakPolarHBondContact O-CA 3.34Å; S141-S177 PolarHBondContact N-O 3.06Å; S141-S177 PolarHBondContact O-N 3.3Å; S141-S177 WeakPolarHBondContact OG-CB 3.25Å; S141-S177 PolarHBondContact OG-O 3.05Å
142L96.3Very high90Very high1 Ų129.7 Ų29.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-112.2113.9166.516958.5000108.2L96 E97 L113 V120 V174 V176L96-L142 WeakPolarHBondContact CA-O 3.22Å; E97-L142 PolarHBondContact N-O 2.62Å; E97-L142 PolarHBondContact O-N 2.78Å; L113-L142 HydrophobicContact CB-CB 3.86Å; L113-L142 HydrophobicContact CB-CD2 4Å; L113-L142 HydrophobicContact CD2-CB 3.96Å; V120-L142 HydrophobicContact CB-CD2 4.48Å; V120-L142 HydrophobicContact CG2-CD1 3.73Å; V120-L142 HydrophobicContact CG2-CD2 3.99Å; V120-L142 HydrophobicContact CG2-CG 4.29Å; L142-V174 HydrophobicContact CD1-CB 3.96Å; L142-V174 HydrophobicContact CD1-CG1 4.44Å; L142-V174 HydrophobicContact CD1-CG2 4.32Å; L142-V176 HydrophobicContact CD1-CG2 4.38Å
143L96.2Very high90Very high0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-112.6122.5175.4-179.765.8000109.8L46 I49 V71 L75 T94 E95 L96 Y145 V174 T175L46-L143 HydrophobicContact CD2-CD1 4.08Å; I49-L143 HydrophobicContact CD1-CD2 4.09Å; V71-L143 HydrophobicContact CG1-CD2 3.41Å; V71-L143 VanDerWaalsContact CG1-CD2 3.41Å; L75-L143 HydrophobicContact CD1-CB 4.27Å; L75-L143 HydrophobicContact CD1-CD2 4.09Å; T94-L143 HydrophobicContact CG2-CD1 4.26Å; E95-L143 CarbonylContact O-C 3.58Å; E95-L143 WeakPolarHBondContact O-CA 3.47Å; L96-L143 HydrophobicContact CB-CD1 3.92Å; L96-L143 HydrophobicContact CD1-CB 4.05Å; L96-L143 HydrophobicContact CD1-CD1 4.21Å; L143-Y145 HydrophobicContact CD2-CE1 3.59Å; L143-Y145 WeakPolarHBondContact CD2-OH 3.37Å; L143-Y145 HydrophobicContact CG-CE1 4.02Å; L143-V174 CarbonylContact O-C 3.37Å; L143-V174 WeakPolarHBondContact O-CA 3.29Å; L143-T175 PolarHBondContact N-O 3.42Å; L143-T175 PolarHBondContact O-N 3.29Å
144S95.8Very high89.9Confident4 Ų427.2 Ų27.23%0.02817%0.167CC..EExtended strand (participates in β ladder)trans-106.7136174.5-172.90000110.3T94 E95T94-S144 VanDerWaalsContact CA-O 3.29Å; T94-S144 WeakPolarHBondContact CA-O 3.42Å; E95-S144 PolarHBondContact N-O 3.41Å; E95-S144 PolarHBondContact O-N 2.57Å
145Y94.7Very high89.8Confident1 Ų128.5 Ų28.50%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-103.5146.6177.1-49.9-81.5000111I49 L53 F67 L68 V71 T94 L143 L148 V173 T175I49-Y145 HydrophobicContact CG2-CD1 4.3Å; I49-Y145 HydrophobicContact CG2-CE1 4.22Å; L53-Y145 HydrophobicContact CD1-CD1 3.96Å; F67-Y145 HydrophobicContact CE1-CD1 4.46Å; F67-Y145 AromaticContact CE1-CE1 3.9Å; F67-Y145 HydrophobicContact CE1-CE1 3.9Å; F67-Y145 AromaticContact CZ-CE1 3.96Å; F67-Y145 HydrophobicContact CZ-CE1 3.96Å; L68-Y145 HydrophobicContact CD2-CE2 3.96Å; V71-Y145 WeakPolarHBondContact CG1-OH 3.44Å; T94-Y145 HydrophobicContact CG2-CD1 4.14Å; L143-Y145 HydrophobicContact CD2-CE1 3.59Å; L143-Y145 WeakPolarHBondContact CD2-OH 3.37Å; L143-Y145 HydrophobicContact CG-CE1 4.02Å; Y145-L148 HydrophobicContact CD1-CD2 4.3Å; Y145-L148 HydrophobicContact CD2-CB 4.29Å; Y145-L148 HydrophobicContact CD2-CD2 3.42Å; Y145-L148 VanDerWaalsContact CD2-CD2 3.42Å; Y145-L148 HydrophobicContact CD2-CG 4.5Å; Y145-L148 HydrophobicContact CE2-CD2 3.71Å; Y145-L148 HydrophobicContact CG-CB 4.03Å; Y145-L148 HydrophobicContact CG-CD2 3.74Å; Y145-V173 HydrophobicContact CD2-CB 4.13Å; Y145-V173 HydrophobicContact CD2-CG1 4.03Å; Y145-V173 VanDerWaalsContact CD2-O 3.29Å; Y145-V173 WeakPolarHBondContact CD2-O 3.5Å; Y145-V173 HydrophobicContact CE2-CG1 4.31Å; Y145-V173 PolarHBondContact N-O 3.01Å; Y145-V173 VanDerWaalsContact N-O 3.07Å; Y145-T175 VanDerWaalsContact CE2-OG1 3.3Å; Y145-T175 WeakPolarHBondContact CE2-OG1 3.44Å; Y145-T175 PolarHBondContact OH-OG1 3.2Å
146S88.9Confident89.9Confident44 Ų4428 Ų2831%0.30816%0.162SC..SBendtrans-85.6-26.4-175.671.10000114.9H93 K172H93-S146 VanDerWaalsContact CA-OG 3.24Å; H93-S146 WeakPolarHBondContact CA-OG 3.38Å; H93-S146 WeakPolarHBondContact CB-OG 2.96Å; H93-S146 PolarHBondContact CD2-OG 2.98Å; H93-S146 PolarHBondContact O-N 3.14Å; H93-S146 PolarHBondContact O-OG 3.13Å; S146-K172 WeakPolarHBondContact O-CE 3.37Å; S146-K172 PolarHBondContact O-NZ 2.98Å
147N88.9Confident89.4Confident42 Ų4228.3 Ų28.323%0.22516%0.16CC..SBendtrans-1427.9-173.168.1-25.7000114.1L53 E149 N150L53-N147 WeakPolarHBondContact CB-OD1 2.97Å; L53-N147 PolarHBondContact O-ND2 2.81Å; N147-E149 VanDerWaalsContact CA-OE2 3.27Å; N147-E149 WeakPolarHBondContact CA-OE2 3.17Å; N147-E149 PolarHBondContact O-N 3.26Å; N147-N150 PolarHBondContact O-N 3.2Å
148L90.5Very high88.1Confident0 Ų028.8 Ų28.80%018%0.18CC..Hα-helixtrans-65.6-27.4-176-174.661.4000112L53 L58 F67 L68 Y145 N150 S151 T152 V173L53-L148 HydrophobicContact CD2-CB 4.32Å; L53-L148 HydrophobicContact CD2-CD1 4.08Å; L58-L148 HydrophobicContact CD1-CD1 3.37Å; F67-L148 HydrophobicContact CD1-CD1 4.48Å; F67-L148 HydrophobicContact CE1-CD1 4.35Å; F67-L148 HydrophobicContact CE1-CD2 4.18Å; L68-L148 HydrophobicContact CD2-CD2 3.75Å; Y145-L148 HydrophobicContact CD1-CD2 4.3Å; Y145-L148 HydrophobicContact CD2-CB 4.29Å; Y145-L148 HydrophobicContact CD2-CD2 3.42Å; Y145-L148 VanDerWaalsContact CD2-CD2 3.42Å; Y145-L148 HydrophobicContact CD2-CG 4.5Å; Y145-L148 HydrophobicContact CE2-CD2 3.71Å; Y145-L148 HydrophobicContact CG-CB 4.03Å; Y145-L148 HydrophobicContact CG-CD2 3.74Å; L148-N150 PolarHBondContact O-N 3.4Å; L148-S151 PolarHBondContact O-N 3.32Å; L148-T152 HydrophobicContact CD1-CG2 4.38Å; L148-T152 HydrophobicContact CG-CG2 4.17Å; L148-T152 WeakPolarHBondContact O-CG2 3.3Å; L148-T152 PolarHBondContact O-N 3.36Å; L148-T152 PolarHBondContact O-OG1 2.99Å; L148-V173 HydrophobicContact CB-CB 4.28Å; L148-V173 HydrophobicContact CB-CG2 4.38Å; L148-V173 HydrophobicContact CD2-CB 4.12Å; L148-V173 HydrophobicContact CD2-CG1 3.87Å; L148-V173 HydrophobicContact CG-CB 4.38Å; L148-V173 HydrophobicContact CG-CG2 4.41Å
149E90.4Very high87Confident13 Ų1330 Ų306%0.06119%0.186CC..Hα-helixtrans-52.4-40.7176.968.4-77-171.900111.7N147 S151 T152 E153 I169 K172 V173 L197N147-E149 VanDerWaalsContact CA-OE2 3.27Å; N147-E149 WeakPolarHBondContact CA-OE2 3.17Å; N147-E149 PolarHBondContact O-N 3.26Å; E149-S151 VanDerWaalsContact C-N 3.3Å; E149-S151 PolarHBondContact O-N 3.43Å; E149-T152 WeakPolarHBondContact CA-OG1 3.44Å; E149-T152 PolarHBondContact O-N 2.88Å; E149-T152 VanDerWaalsContact O-N 3.08Å; E149-T152 PolarHBondContact O-OG1 2.87Å; E149-E153 PolarHBondContact O-N 2.91Å; E149-I169 HydrophobicContact CB-CB 4.43Å; E149-I169 HydrophobicContact CB-CG2 3.84Å; E149-K172 IonicContact OE1-NZ 2.72Å; E149-K172 PolarHBondContact OE1-NZ 3.31Å; E149-K172 IonicContact OE2-NZ 3.52Å; E149-V173 HydrophobicContact CB-CG2 4.26Å; E149-L197 HydrophobicContact CG-CD1 4.36Å
150N87.4Confident85.2Confident120 Ų12039 Ų3964%0.64223%0.225SC*.Hα-helixtrans-64.8-32-179.2-66.3-13.7000113.1N147 L148 T152N147-N150 PolarHBondContact O-N 3.2Å; L148-N150 PolarHBondContact O-N 3.4Å; N150-T152 VanDerWaalsContact C-N 3.35Å
151S86.3Confident83.2Confident27 Ų2745.2 Ų45.219%0.18925%0.252CS..Hα-helixtrans-83.6-14178-61.40000113L148 E149L148-S151 PolarHBondContact O-N 3.32Å; E149-S151 VanDerWaalsContact C-N 3.3Å; E149-S151 PolarHBondContact O-N 3.43Å
152T86.3Confident81.3Confident0 Ų049.6 Ų49.60%028%0.276CS..Hα-helixtrans-106.6-6.6-179.1640000113.9V64 L148 E149 N150 I169 W210 W219V64-T152 HydrophobicContact CG1-CG2 3.56Å; V64-T152 HydrophobicContact CG2-CG2 4.22Å; L148-T152 HydrophobicContact CD1-CG2 4.38Å; L148-T152 HydrophobicContact CG-CG2 4.17Å; L148-T152 WeakPolarHBondContact O-CG2 3.3Å; L148-T152 PolarHBondContact O-N 3.36Å; L148-T152 PolarHBondContact O-OG1 2.99Å; E149-T152 WeakPolarHBondContact CA-OG1 3.44Å; E149-T152 PolarHBondContact O-N 2.88Å; E149-T152 VanDerWaalsContact O-N 3.08Å; E149-T152 PolarHBondContact O-OG1 2.87Å; N150-T152 VanDerWaalsContact C-N 3.35Å; T152-I169 VanDerWaalsContact OG1-CD1 3.22Å; T152-I169 WeakPolarHBondContact OG1-CD1 3.48Å; T152-W210 HydrophobicContact CG2-CE3 4.32Å; T152-W210 HydrophobicContact CG2-CH2 4.37Å; T152-W210 HydrophobicContact CG2-CZ3 3.99Å; T152-W219 HydrophobicContact CG2-CZ2 4.11Å; T152-W219 PolarHBondContact O-NE1 2.86Å; T152-W219 VanDerWaalsContact O-NE1 3.16Å; T152-W219 WeakPolarHBondContact OG1-CZ2 3.24Å; T152-W219 PolarHBondContact OG1-NE1 3.49Å
153E84.3Confident79Confident71 Ų7157 Ų5733%0.33231%0.31SS..THydrogen-bonded Turntrans-59.9135.6177.2-16571.7-154.100110.6E149 Y156 K168 I169E149-E153 PolarHBondContact O-N 2.91Å; E153-Y156 PolarHBondContact OE1-OH 3.05Å; E153-Y156 VanDerWaalsContact OE1-OH 3.05Å; E153-K168 VanDerWaalsContact OE1-CA 3.29Å; E153-K168 WeakPolarHBondContact OE1-CA 3.43Å; E153-I169 PolarHBondContact OE1-N 2.89Å; E153-I169 VanDerWaalsContact OE2-CB 3.3Å; E153-I169 WeakPolarHBondContact OE2-CB 3.31Å; E153-I169 WeakPolarHBondContact OE2-CD1 3.33Å; E153-I169 WeakPolarHBondContact OE2-CG1 3.41Å; E153-I169 PolarHBondContact OE2-N 2.98Å
154G79.5Confident76.8Confident52 Ų5260.3 Ų60.354%0.53633%0.333SS..THydrogen-bonded Turntrans88.6-8.3175.600000116.2Y156G154-Y156 PolarHBondContact N-OH 3.5Å; G154-Y156 PolarHBondContact O-N 3.03Å
155F85.9Confident75.2Confident61 Ų6161.3 Ų61.327%0.26834%0.337SS..  trans-94.891.4176-58.1-68.2000111.1N61 W210 A218 W219N61-F155 HydrophobicContact CB-CD1 3.72Å; N61-F155 HydrophobicContact CB-CD2 4.2Å; N61-F155 HydrophobicContact CB-CE1 3.84Å; N61-F155 HydrophobicContact CB-CE2 4.3Å; N61-F155 HydrophobicContact CB-CG 3.92Å; N61-F155 HydrophobicContact CB-CZ 4.13Å; F155-W210 HydrophobicContact CB-CH2 3.84Å; F155-W210 HydrophobicContact CB-CZ3 4.03Å; F155-W210 AromaticContact CD2-CH2 3.92Å; F155-W210 HydrophobicContact CD2-CH2 3.92Å; F155-W210 HydrophobicContact CD2-CZ3 4.48Å; F155-W210 HydrophobicContact CG-CH2 4.11Å; F155-A218 HydrophobicContact CB-CB 4.49Å; F155-W219 VanDerWaalsContact O-CD1 3.3Å; F155-W219 PolarHBondContact O-N 3.32Å
156Y85Confident74.1Confident64 Ų6464.1 Ų64.125%0.25135%0.353SS..BIsolated β-bridgetrans-122.6126.9-173.8-54.8-48.2000110.7E153 G154 M159 F167 W219 L247E153-Y156 PolarHBondContact OE1-OH 3.05Å; E153-Y156 VanDerWaalsContact OE1-OH 3.05Å; G154-Y156 PolarHBondContact N-OH 3.5Å; G154-Y156 PolarHBondContact O-N 3.03Å; Y156-M159 HydrophobicContact CD1-CE 3.57Å; Y156-M159 HydrophobicContact CG-CE 3.86Å; Y156-F167 HydrophobicContact CD2-CB 4.44Å; Y156-F167 HydrophobicContact CE2-CB 4.09Å; Y156-F167 WeakPolarHBondContact CE2-O 3.21Å; Y156-F167 PolarHBondContact OH-O 3.04Å; Y156-W219 HydrophobicContact CD1-CB 4.1Å; Y156-W219 AromaticContact CD1-CD1 4Å; Y156-W219 HydrophobicContact CD1-CG 4.43Å; Y156-W219 AromaticContact CE1-CD1 3.85Å; Y156-L247 HydrophobicContact CD1-CD1 4.27Å; Y156-L247 HydrophobicContact CD1-CD2 4.35Å; Y156-L247 HydrophobicContact CE1-CD1 4.28Å; Y156-L247 HydrophobicContact CE1-CD2 3.58Å
157S77.1Confident73.7Confident32 Ų3263 Ų6322%0.22434%0.342CS..  trans-128.4136.4-179.1177.90000112.3M159 N214 A218 W219S157-M159 PolarHBondContact O-N 2.87Å; S157-M159 VanDerWaalsContact O-N 3.07Å; S157-N214 PolarHBondContact OG-ND2 3.35Å; S157-A218 VanDerWaalsContact CB-CB 3.45Å; S157-W219 PolarHBondContact N-O 3.35Å
158G63.8Low73.6Confident65 Ų6564 Ų6467%0.6734%0.344SS*.SBendtrans70.20.1173.200000115.6
159M68.3Low73.7Confident26 Ų2664.1 Ų64.113%0.12835%0.345CS..  trans-75127.7174.8-75.6-174-98.700110.5Y156 S157 K161 F167 V208 W219 L247Y156-M159 HydrophobicContact CD1-CE 3.57Å; Y156-M159 HydrophobicContact CG-CE 3.86Å; S157-M159 PolarHBondContact O-N 2.87Å; S157-M159 VanDerWaalsContact O-N 3.07Å; M159-K161 VanDerWaalsContact C-N 3.29Å; M159-K161 PolarHBondContact O-N 3.36Å; M159-F167 HydrophobicContact CB-CE2 4.38Å; M159-F167 HydrophobicContact SD-CD2 4.46Å; M159-F167 HydrophobicContact SD-CE2 4.5Å; M159-V208 HydrophobicContact CE-CG1 4.36Å; M159-V208 HydrophobicContact SD-CG1 4.23Å; M159-W219 HydrophobicContact CE-CB 4.06Å; M159-W219 WeakPolarHBondContact CE-O 3.46Å; M159-L247 HydrophobicContact CE-CD1 3.32Å; M159-L247 HydrophobicContact SD-CD1 3.36Å; M159-L247 WeakPolarHBondContact SD-CD1 3.27Å
160K55.4Low73.7Confident191 Ų19163.6 Ų63.683%0.8334%0.343SS*.  trans-66.587.9173.2-71.7-178180178.50109.5N162K160-N162 PolarHBondContact O-N 3.05Å
161K52.5Low74.1Confident133 Ų13357.9 Ų57.958%0.57831%0.312SS*.  trans-70.9109.8172.4-161.4176.8-175.5-177.80107.7M159 Q165 F167M159-K161 VanDerWaalsContact C-N 3.29Å; M159-K161 PolarHBondContact O-N 3.36Å; K161-Q165 WeakPolarHBondContact CE-O 3.22Å; K161-Q165 WeakPolarHBondContact CG-O 3.44Å; K161-F167 HydrophobicContact CG-CE2 4.45Å
162N53.3Low74.5Confident95 Ų9558 Ų5851%0.50831%0.31SS..  trans-66138.8156.2-70.5-41.4000106.7K160 S164 Q165K160-N162 PolarHBondContact O-N 3.05Å; N162-S164 PolarHBondContact O-N 3.02Å; N162-Q165 HydrophobicContact CB-CG 4.18Å; N162-Q165 PolarHBondContact ND2-OE1 3.24Å; N162-Q165 PolarHBondContact O-N 2.86Å
163E48.3Very low75Confident156 Ų15658 Ų5873%0.72931%0.31SS*.THydrogen-bonded Turntrans-53.7-14.8-171.4-70.4156.4150.100115.1K469E163-K469 WeakPolarHBondContact OE2-CD 3.14Å; E163-K469 IonicContact OE2-NZ 3.47Å; E163-K469 PolarHBondContact OE2-NZ 2.93Å
164S50.2Low75.6Confident70 Ų7054.7 Ų54.749%0.4929%0.294SS..THydrogen-bonded Turntrans-108.47.7177.558.80000115.8N162 D252N162-S164 PolarHBondContact O-N 3.02Å; S164-D252 PolarHBondContact O-N 3.05Å
165Q62.8Low76.3Confident24 Ų2452.2 Ų52.211%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-103.9115.5179.3-75.1177.4-29.300110.2K161 N162 Y251K161-Q165 WeakPolarHBondContact CE-O 3.22Å; K161-Q165 WeakPolarHBondContact CG-O 3.44Å; N162-Q165 HydrophobicContact CB-CG 4.18Å; N162-Q165 PolarHBondContact ND2-OE1 3.24Å; N162-Q165 PolarHBondContact O-N 2.86Å; Q165-Y251 HydrophobicContact CG-CD1 3.97Å; Q165-Y251 HydrophobicContact CG-CE1 3.66Å; Q165-Y251 PolarHBondContact NE2-OH 2.84Å; Q165-Y251 VanDerWaalsContact NE2-OH 3.11Å
166N70.4Confident76.8Confident61 Ų6149.3 Ų49.333%0.32626%0.256SS..EExtended strand (participates in β ladder)trans-94.4144.4164-157.14.7000109A249 L250N166-A249 CarbonylContact O-C 3.56Å; N166-L250 HydrophobicContact CB-CB 4.32Å; N166-L250 PolarHBondContact N-O 3.3Å; N166-L250 PolarHBondContact O-N 2.88Å
167F81.9Confident77.2Confident20 Ų2046.4 Ų46.49%0.08824%0.244CC..EExtended strand (participates in β ladder)trans-110.3133.1178.3-67.5-72.9000108.8Y156 M159 K161 L247 A249Y156-F167 HydrophobicContact CD2-CB 4.44Å; Y156-F167 HydrophobicContact CE2-CB 4.09Å; Y156-F167 WeakPolarHBondContact CE2-O 3.21Å; Y156-F167 PolarHBondContact OH-O 3.04Å; M159-F167 HydrophobicContact CB-CE2 4.38Å; M159-F167 HydrophobicContact SD-CD2 4.46Å; M159-F167 HydrophobicContact SD-CE2 4.5Å; K161-F167 HydrophobicContact CG-CE2 4.45Å; F167-L247 HydrophobicContact CB-CD1 4.48Å; F167-L247 HydrophobicContact CB-CD2 4.46Å; F167-L247 HydrophobicContact CD1-CB 4.46Å; F167-A249 HydrophobicContact CD1-CB 4.27Å; F167-A249 HydrophobicContact CE1-CB 4.03Å
168K86.8Confident77.9Confident62 Ų6244.9 Ų44.927%0.2723%0.234SC..EExtended strand (participates in β ladder)trans-124.3140.6173.8-179.3-179.4170.6-168.50110E153 N170 E198 L247 M248 L250E153-K168 VanDerWaalsContact OE1-CA 3.29Å; E153-K168 WeakPolarHBondContact OE1-CA 3.43Å; K168-N170 PolarHBondContact O-N 3.3Å; K168-E198 IonicContact NZ-OE1 2.82Å; K168-E198 PolarHBondContact NZ-OE1 3.48Å; K168-E198 IonicContact NZ-OE2 2.64Å; K168-E198 PolarHBondContact NZ-OE2 3.13Å; K168-L247 CarbonylContact O-C 3.6Å; K168-L247 WeakPolarHBondContact O-CA 3.23Å; K168-M248 PolarHBondContact N-O 3.03Å; K168-M248 PolarHBondContact O-N 3.3Å; K168-L250 HydrophobicContact CB-CD1 3.7Å; K168-L250 HydrophobicContact CB-CG 4.14Å; K168-L250 HydrophobicContact CD-CD1 3.92Å; K168-L250 HydrophobicContact CG-CD1 4.45Å
169I90.8Very high79.2Confident4 Ų442.7 Ų42.72%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-69.9126.3173.1-59.4170.3000109.2E149 T152 E153 S171 W219 A245 L247E149-I169 HydrophobicContact CB-CB 4.43Å; E149-I169 HydrophobicContact CB-CG2 3.84Å; T152-I169 VanDerWaalsContact OG1-CD1 3.22Å; T152-I169 WeakPolarHBondContact OG1-CD1 3.48Å; E153-I169 PolarHBondContact OE1-N 2.89Å; E153-I169 VanDerWaalsContact OE2-CB 3.3Å; E153-I169 WeakPolarHBondContact OE2-CB 3.31Å; E153-I169 WeakPolarHBondContact OE2-CD1 3.33Å; E153-I169 WeakPolarHBondContact OE2-CG1 3.41Å; E153-I169 PolarHBondContact OE2-N 2.98Å; I169-S171 WeakPolarHBondContact CG2-O 3.33Å; I169-W219 HydrophobicContact CD1-CZ2 4.4Å; I169-W219 VanDerWaalsContact CD1-NE1 3.35Å; I169-A245 HydrophobicContact CG2-CB 4.21Å; I169-L247 HydrophobicContact CB-CD2 4.37Å; I169-L247 HydrophobicContact CG1-CD2 3.59Å
170N91.9Very high80.1Confident1 Ų142.3 Ų42.31%0.00521%0.207CC..  trans-120.920.7-177.2-164.527000113.1K168 H196 L197 E198 V246 M248K168-N170 PolarHBondContact O-N 3.3Å; N170-H196 VanDerWaalsContact O-CA 3.26Å; N170-H196 WeakPolarHBondContact O-CA 3.19Å; N170-L197 PolarHBondContact O-N 3.42Å; N170-L197 PolarHBondContact OD1-N 3.33Å; N170-E198 PolarHBondContact ND2-O 2.97Å; N170-E198 WeakPolarHBondContact OD1-CB 3.48Å; N170-E198 PolarHBondContact OD1-N 2.6Å; N170-V246 PolarHBondContact N-O 3.41Å; N170-M248 HydrophobicContact CB-CB 3.65Å; N170-M248 HydrophobicContact CB-CE 4.49Å
171S94.4Very high81.3Confident0 Ų039.1 Ų39.10%020%0.204CC..BIsolated β-bridgetrans-142.1165.3169.8740000110.5I169 A245 V246I169-S171 WeakPolarHBondContact CG2-O 3.33Å; S171-A245 WeakPolarHBondContact OG-CA 3.36Å; S171-V246 PolarHBondContact OG-N 3.4Å
172K95.6Very high82.8Confident31 Ų3136.9 Ų36.914%0.13520%0.198CC..  trans-64.6149.3161.5-63.2-54.9179.1-175.20109.9H117 S146 E149 L197H117-K172 HydrophobicContact CB-CB 3.99Å; H117-K172 HydrophobicContact CB-CG 3.81Å; S146-K172 WeakPolarHBondContact O-CE 3.37Å; S146-K172 PolarHBondContact O-NZ 2.98Å; E149-K172 IonicContact OE1-NZ 2.72Å; E149-K172 PolarHBondContact OE1-NZ 3.31Å; E149-K172 IonicContact OE2-NZ 3.52Å; K172-L197 HydrophobicContact CD-CD2 4.01Å; K172-L197 HydrophobicContact CG-CD2 4.14Å
173V96Very high84.3Confident0 Ų033.1 Ų33.10%018%0.178CC..  trans-77134.5171.7179.80000108.1Y145 L148 E149 W219 F244 A245Y145-V173 HydrophobicContact CD2-CB 4.13Å; Y145-V173 HydrophobicContact CD2-CG1 4.03Å; Y145-V173 VanDerWaalsContact CD2-O 3.29Å; Y145-V173 WeakPolarHBondContact CD2-O 3.5Å; Y145-V173 HydrophobicContact CE2-CG1 4.31Å; Y145-V173 PolarHBondContact N-O 3.01Å; Y145-V173 VanDerWaalsContact N-O 3.07Å; L148-V173 HydrophobicContact CB-CB 4.28Å; L148-V173 HydrophobicContact CB-CG2 4.38Å; L148-V173 HydrophobicContact CD2-CB 4.12Å; L148-V173 HydrophobicContact CD2-CG1 3.87Å; L148-V173 HydrophobicContact CG-CB 4.38Å; L148-V173 HydrophobicContact CG-CG2 4.41Å; E149-V173 HydrophobicContact CB-CG2 4.26Å; V173-W219 HydrophobicContact CG1-CH2 3.9Å; V173-W219 HydrophobicContact CG1-CZ2 4.47Å; V173-W219 HydrophobicContact CG2-CH2 3.99Å; V173-W219 HydrophobicContact CG2-CZ2 3.85Å; V173-F244 WeakPolarHBondContact CA-O 3.01Å; V173-A245 HydrophobicContact CG2-CB 4.47Å
174V96.7Very high86Confident0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-129.1141.7175.7-56.10000111.4A118 L142 L143 I192 L194 S243 F244A118-V174 HydrophobicContact CB-CB 4.48Å; A118-V174 HydrophobicContact CB-CG1 3.62Å; A118-V174 HydrophobicContact CB-CG2 4.44Å; L142-V174 HydrophobicContact CD1-CB 3.96Å; L142-V174 HydrophobicContact CD1-CG1 4.44Å; L142-V174 HydrophobicContact CD1-CG2 4.32Å; L143-V174 CarbonylContact O-C 3.37Å; L143-V174 WeakPolarHBondContact O-CA 3.29Å; V174-I192 HydrophobicContact CG2-CG2 4.29Å; V174-L194 HydrophobicContact CB-CD2 4.46Å; V174-L194 HydrophobicContact CG1-CD2 3.9Å; V174-L194 HydrophobicContact CG2-CD2 3.68Å; V174-S243 CarbonylContact O-C 3.01Å; V174-S243 WeakPolarHBondContact O-CA 3.48Å; V174-F244 HydrophobicContact CG2-CB 4.26Å; V174-F244 PolarHBondContact N-O 2.79Å; V174-F244 PolarHBondContact O-N 3.3Å
175T96Very high87.7Confident0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-109.2127.2174.6-62.50000109.5L143 Y145 S243L143-T175 PolarHBondContact N-O 3.42Å; L143-T175 PolarHBondContact O-N 3.29Å; Y145-T175 VanDerWaalsContact CE2-OG1 3.3Å; Y145-T175 WeakPolarHBondContact CE2-OG1 3.44Å; Y145-T175 PolarHBondContact OH-OG1 3.2Å; T175-S243 PolarHBondContact OG1-OG 3.29Å
176V95Very high88.9Confident1 Ų136.3 Ų36.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-108.2120.6173.2-172.60000108.3V120 S141 L142 I192 L241 S242 F244V120-V176 HydrophobicContact CG1-CG1 4.21Å; V120-V176 HydrophobicContact CG1-CG2 4.44Å; V120-V176 HydrophobicContact CG2-CG2 3.72Å; S141-V176 WeakPolarHBondContact O-CA 3.34Å; L142-V176 HydrophobicContact CD1-CG2 4.38Å; V176-I192 HydrophobicContact CG2-CD1 4.15Å; V176-L241 HydrophobicContact CB-CD2 4.37Å; V176-L241 HydrophobicContact CG1-CD2 3.98Å; V176-S242 PolarHBondContact N-O 2.93Å; V176-F244 HydrophobicContact CB-CE2 4.33Å; V176-F244 HydrophobicContact CG2-CD2 4.21Å; V176-F244 HydrophobicContact CG2-CE2 4.21Å
177S93.5Very high89.8Confident2 Ų240.3 Ų40.31%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-128.8146.2179.8-174.40000110.8E72 K76 V140 S141E72-S177 PolarHBondContact O-OG 2.85Å; K76-S177 VanDerWaalsContact CE-OG 3.28Å; K76-S177 WeakPolarHBondContact CE-OG 3.33Å; K76-S177 WeakPolarHBondContact CG-OG 3.4Å; V140-S177 CarbonylContact C-O 3.58Å; V140-S177 WeakPolarHBondContact CA-O 3.39Å; S141-S177 PolarHBondContact N-O 3.06Å; S141-S177 PolarHBondContact O-N 3.3Å; S141-S177 WeakPolarHBondContact OG-CB 3.25Å; S141-S177 PolarHBondContact OG-O 3.05Å
178V93.1Very high90.2Very high0 Ų043.3 Ų43.30%022%0.219CC..EExtended strand (participates in β ladder)trans-139.3164.6-176.8-62.20000111K76 I122 A127 T139 V140 N180 T183 L241K76-V178 WeakPolarHBondContact CE-O 3.36Å; K76-V178 WeakPolarHBondContact CG-O 2.95Å; I122-V178 HydrophobicContact CD1-CG1 3.95Å; A127-V178 HydrophobicContact CB-CB 4.12Å; A127-V178 HydrophobicContact CB-CG1 3.81Å; T139-V178 CarbonylContact O-C 3.56Å; T139-V178 WeakPolarHBondContact O-CA 3.42Å; T139-V178 WeakPolarHBondContact O-CB 3.1Å; V140-V178 HydrophobicContact CB-CG1 4.5Å; V140-V178 HydrophobicContact CG1-CG1 4.22Å; V140-V178 HydrophobicContact CG2-CG1 4.24Å; V178-N180 VanDerWaalsContact C-N 3.27Å; V178-N180 HydrophobicContact CG2-CB 3.79Å; V178-N180 PolarHBondContact O-N 2.8Å; V178-T183 HydrophobicContact CG2-CG2 3.71Å; V178-L241 HydrophobicContact CB-CD1 4.05Å; V178-L241 HydrophobicContact CG1-CD1 3.59Å; V178-L241 HydrophobicContact CG2-CD1 3.27Å
179S89.6Confident90.5Very high20 Ų2043.1 Ų43.114%0.1422%0.224CC..SBendtrans-65.9-25173.946.70000114.2A127 T138 T139 T181A127-S179 PolarHBondContact O-OG 3.46Å; T138-S179 VanDerWaalsContact CA-OG 3.32Å; T138-S179 WeakPolarHBondContact CA-OG 3.19Å; T139-S179 PolarHBondContact N-OG 3.4Å; T139-S179 PolarHBondContact O-N 3.42Å; T139-S179 VanDerWaalsContact O-N 3.1Å; T139-S179 WeakPolarHBondContact OG1-CB 3.22Å; T139-S179 PolarHBondContact OG1-N 3.38Å; T139-S179 VanDerWaalsContact OG1-N 3.15Å; S179-T181 PolarHBondContact O-N 3.07Å
180N87.2Confident90.7Very high17 Ų1743.1 Ų43.19%0.09122%0.224CC..  trans-58.8132.5176.4-178.48.9000110.4E126 A127 V178 D182 T183E126-N180 PolarHBondContact O-ND2 3.45Å; E126-N180 VanDerWaalsContact O-ND2 3.14Å; A127-N180 WeakPolarHBondContact O-CB 3.4Å; A127-N180 PolarHBondContact O-N 3.12Å; V178-N180 VanDerWaalsContact C-N 3.27Å; V178-N180 HydrophobicContact CG2-CB 3.79Å; V178-N180 PolarHBondContact O-N 2.8Å; N180-D182 PolarHBondContact ND2-O 3.13Å; N180-D182 PolarHBondContact OD1-N 2.94Å; N180-T183 VanDerWaalsContact O-CG2 3.32Å; N180-T183 WeakPolarHBondContact O-CG2 3.37Å
181T81.3Confident90.9Very high125 Ų12546 Ų4677%0.76724%0.239SC*.SBendtrans-84.7-26.3-179.254.40000112.8S179S179-T181 PolarHBondContact O-N 3.07Å
182D84.3Confident91.1Very high86 Ų8646 Ų4646%0.4624%0.239SC..  trans-100.291172.8-170.74.8000110.7N180 K184N180-D182 PolarHBondContact ND2-O 3.13Å; N180-D182 PolarHBondContact OD1-N 2.94Å; D182-K184 PolarHBondContact OD1-N 3.36Å
183T83.7Confident91.1Very high15 Ų1545.2 Ų45.29%0.09224%0.237CC..  trans-104.63.8178.958.20000113.2V178 N180 H240 L241V178-T183 HydrophobicContact CG2-CG2 3.71Å; N180-T183 VanDerWaalsContact O-CG2 3.32Å; N180-T183 WeakPolarHBondContact O-CG2 3.37Å; T183-H240 CarbonylContact O-C 3.52Å; T183-H240 VanDerWaalsContact O-CA 3.24Å; T183-H240 WeakPolarHBondContact O-CA 3.46Å; T183-H240 VanDerWaalsContact O-CB 3.28Å; T183-H240 WeakPolarHBondContact O-CB 3.1Å; T183-L241 HydrophobicContact CG2-CB 4.33Å; T183-L241 HydrophobicContact CG2-CD1 3.97Å; T183-L241 PolarHBondContact O-N 3.31Å
184K84.3Confident91.2Very high159 Ų15945.2 Ų45.269%0.69124%0.237SC*.SBendtrans-80.7-27.8-177.1-67.9-176.4-179.7178.90112.5D182 H240D182-K184 PolarHBondContact OD1-N 3.36Å; K184-H240 WeakPolarHBondContact O-CB 3.38Å
185H86.5Confident91.1Very high142 Ų14248.6 Ų48.666%0.65725%0.253SS*.SBendtrans-141.5101177-61.287.6000109.7
186L88.8Confident91Very high17 Ų1749.3 Ų49.39%0.08926%0.256CS..  trans-78.8146.8171.9-56.5175.8000109.9E188 V190 N239 L241L186-E188 VanDerWaalsContact C-N 3.3Å; L186-E188 VanDerWaalsContact CB-O 3.27Å; L186-E188 WeakPolarHBondContact CB-O 3.31Å; L186-V190 HydrophobicContact CD1-CB 4.35Å; L186-V190 HydrophobicContact CD1-CG1 4.32Å; L186-N239 PolarHBondContact N-O 3.24Å; L186-L241 HydrophobicContact CD1-CD2 4.01Å; L186-L241 HydrophobicContact CD1-CG 4.02Å; L186-L241 HydrophobicContact CD2-CD1 4.45Å; L186-L241 HydrophobicContact CD2-CG 4.37Å
187N88.1Confident90.7Very high144 Ų14452.6 Ų52.677%0.7727%0.273SS*.SBendtrans-70.4-36174.8-62.6-60.6000110.6E126E126-N187 PolarHBondContact OE2-N 2.77Å
188E90.4Very high90.3Very high84 Ų8456.7 Ų56.739%0.39329%0.293SS..SBendtrans-123.6137.9174.1-67.3-164.9-149.500110.9K123 E126 L186K123-E188 VanDerWaalsContact CD-OE2 3.27Å; K123-E188 WeakPolarHBondContact CD-OE2 3.45Å; K123-E188 WeakPolarHBondContact CE-OE2 3.37Å; K123-E188 IonicContact NZ-OE1 2.69Å; K123-E188 PolarHBondContact NZ-OE1 3.45Å; K123-E188 IonicContact NZ-OE2 2.6Å; K123-E188 PolarHBondContact NZ-OE2 3.25Å; E126-E188 HydrophobicContact CG-CB 4.25Å; E126-E188 PolarHBondContact OE2-N 3.02Å; L186-E188 VanDerWaalsContact C-N 3.3Å; L186-E188 VanDerWaalsContact CB-O 3.27Å; L186-E188 WeakPolarHBondContact CB-O 3.31Å
189P93.3Very high89.7Confident58 Ų5863.4 Ų63.438%0.37732%0.324SS..PPolyproline II helixtrans-70145.2-177.929.8-34.7000111.7S237 C238P189-S237 WeakPolarHBondContact CB-OG 3.31Å; P189-C238 CarbonylContact C-O 3.45Å; P189-C238 WeakPolarHBondContact CA-O 3.2Å; P189-C238 VanDerWaalsContact CB-O 3.27Å; P189-C238 WeakPolarHBondContact CB-O 3.3Å
190V94.6Very high88.5Confident3 Ų364.5 Ų64.52%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-83.3141.2171.465.10000109.9V120 D121 I122 L186 I192 S237 C238 L241V120-V190 HydrophobicContact CG1-CG2 3.81Å; D121-V190 WeakPolarHBondContact O-CG2 3.45Å; I122-V190 HydrophobicContact CB-CG2 3.93Å; I122-V190 HydrophobicContact CD1-CG2 4.32Å; I122-V190 HydrophobicContact CG1-CG2 4.16Å; L186-V190 HydrophobicContact CD1-CB 4.35Å; L186-V190 HydrophobicContact CD1-CG1 4.32Å; V190-I192 HydrophobicContact CG1-CD1 3.99Å; V190-I192 HydrophobicContact CG1-CG1 4.13Å; V190-I192 HydrophobicContact CG2-CG1 4.22Å; V190-S237 WeakPolarHBondContact O-CA 3.47Å; V190-C238 HydrophobicContact CG1-CB 4.31Å; V190-C238 PolarHBondContact N-O 3.03Å; V190-C238 PolarHBondContact O-N 3.43Å; V190-L241 HydrophobicContact CB-CD2 4.19Å; V190-L241 HydrophobicContact CG1-CD2 3.7Å; V190-L241 HydrophobicContact CG2-CD2 4.46Å
191N97.1Very high87.1Confident61 Ų6170.6 Ų70.633%0.32636%0.364SS..EExtended strand (participates in β ladder)trans-102.3126.1174.2-73.3-15.6000110.1D121 V235 C236 S237D121-N191 HydrophobicContact CB-CB 4.35Å; D121-N191 PolarHBondContact N-O 3.06Å; D121-N191 PolarHBondContact O-N 3.49Å; N191-V235 HydrophobicContact CB-CG1 4.37Å; N191-C236 CarbonylContact C-O 3.53Å; N191-C236 VanDerWaalsContact CA-O 3.32Å; N191-C236 WeakPolarHBondContact CA-O 3.49Å; N191-S237 WeakPolarHBondContact OD1-CB 3.49Å; N191-S237 PolarHBondContact OD1-OG 3.17Å
192I97.3Very high85.8Confident0 Ų073.1 Ų73.10%037%0.367CS..EExtended strand (participates in β ladder)trans-126.9110-175.4-52174.2000107.6K119 V120 V174 V176 V190 L194 C236 F244K119-I192 CarbonylContact O-C 3.55Å; K119-I192 WeakPolarHBondContact O-CA 3.39Å; V120-I192 HydrophobicContact CG2-CG1 4.29Å; V120-I192 HydrophobicContact CG2-CG2 4.1Å; V174-I192 HydrophobicContact CG2-CG2 4.29Å; V176-I192 HydrophobicContact CG2-CD1 4.15Å; V190-I192 HydrophobicContact CG1-CD1 3.99Å; V190-I192 HydrophobicContact CG1-CG1 4.13Å; V190-I192 HydrophobicContact CG2-CG1 4.22Å; I192-L194 HydrophobicContact CG2-CD1 4.31Å; I192-L194 HydrophobicContact CG2-CD2 4.42Å; I192-L194 HydrophobicContact CG2-CG 4.07Å; I192-C236 HydrophobicContact CB-CB 4.47Å; I192-C236 PolarHBondContact N-O 3.32Å; I192-C236 PolarHBondContact O-N 2.98Å; I192-F244 HydrophobicContact CD1-CB 4.4Å; I192-F244 HydrophobicContact CD1-CD1 4.07Å; I192-F244 HydrophobicContact CD1-CD2 3.29Å; I192-F244 HydrophobicContact CD1-CE1 4.15Å; I192-F244 HydrophobicContact CD1-CE2 3.36Å; I192-F244 HydrophobicContact CD1-CG 3.65Å; I192-F244 HydrophobicContact CD1-CZ 3.81Å
193T97.2Very high84.9Confident15 Ų1570.7 Ų70.79%0.09236%0.355CS..EExtended strand (participates in β ladder)trans-88.2123.3173.7-54.40000109A118 K119 Y233 T234 V235A118-T193 CarbonylContact C-O 3.45Å; A118-T193 WeakPolarHBondContact CA-O 3.29Å; K119-T193 PolarHBondContact N-O 3.38Å; K119-T193 PolarHBondContact O-N 2.98Å; T193-Y233 HydrophobicContact CG2-CD2 3.62Å; T193-Y233 HydrophobicContact CG2-CE2 4.32Å; T193-Y233 HydrophobicContact CG2-CG 3.84Å; T193-T234 CarbonylContact C-O 3.49Å; T193-T234 WeakPolarHBondContact CA-O 3.44Å; T193-V235 HydrophobicContact CG2-CG2 4.17Å
194L97Very high84.8Confident0 Ų072.8 Ų72.80%037%0.371CS..EExtended strand (participates in β ladder)trans-117.9126.1179.2-72.2163.3000109.8A118 V174 I192 Y233 T234 F244 V246A118-L194 HydrophobicContact CB-CD2 3.77Å; V174-L194 HydrophobicContact CB-CD2 4.46Å; V174-L194 HydrophobicContact CG1-CD2 3.9Å; V174-L194 HydrophobicContact CG2-CD2 3.68Å; I192-L194 HydrophobicContact CG2-CD1 4.31Å; I192-L194 HydrophobicContact CG2-CD2 4.42Å; I192-L194 HydrophobicContact CG2-CG 4.07Å; L194-Y233 CarbonylContact O-C 3.56Å; L194-Y233 VanDerWaalsContact O-CA 3.22Å; L194-Y233 WeakPolarHBondContact O-CA 3.36Å; L194-Y233 WeakPolarHBondContact O-CB 3.24Å; L194-T234 PolarHBondContact N-O 2.95Å; L194-T234 PolarHBondContact O-N 2.94Å; L194-F244 HydrophobicContact CD1-CB 4.37Å; L194-V246 HydrophobicContact CB-CG2 3.68Å; L194-V246 HydrophobicContact CD1-CG2 3.73Å; L194-V246 HydrophobicContact CG-CG2 4.32Å
195H94.8Very high85Confident72 Ų7266.2 Ų66.233%0.33334%0.342SS..EExtended strand (participates in β ladder)trans-78.4138.9178-76.5-82.4000111.4H117H117-H195 PolarHBondContact O-N 2.88Å
196H93.2Very high85.3Confident14 Ų1461 Ų617%0.06532%0.321CS..BIsolated β-bridgetrans-76.8135.3-178.2-61.9164.2000111.6N170 H205 N230 P231 K232 T234N170-H196 VanDerWaalsContact O-CA 3.26Å; N170-H196 WeakPolarHBondContact O-CA 3.19Å; H196-H205 AromaticContact CE1-CD2 3.71Å; H196-H205 AromaticContact CE1-CE1 3.4Å; H196-H205 PolarHBondContact CE1-CE1 3.06Å; H196-H205 VanDerWaalsContact CE1-CE1 3.4Å; H196-H205 AromaticContact CE1-CG 3.93Å; H196-H205 AromaticContact CE1-ND1 3.73Å; H196-H205 AromaticContact CE1-NE2 3.38Å; H196-H205 PolarHBondContact CE1-NE2 3.01Å; H196-H205 AromaticContact ND1-CE1 3.97Å; H196-H205 AromaticContact ND1-NE2 3.75Å; H196-H205 AromaticContact NE2-CD2 3.72Å; H196-H205 AromaticContact NE2-CG 3.99Å; H196-H205 AromaticContact NE2-NE2 3.85Å; H196-N230 PolarHBondContact CE1-O 3.22Å; H196-N230 PolarHBondContact ND1-O 2.91Å; H196-P231 PolarHBondContact ND1-O 2.94Å; H196-K232 PolarHBondContact N-O 3.39Å; H196-T234 PolarHBondContact CE1-OG1 3.26Å; H196-T234 VanDerWaalsContact CE1-OG1 3.28Å; H196-T234 WeakPolarHBondContact NE2-CB 3.36Å; H196-T234 PolarHBondContact NE2-N 3.41Å; H196-T234 PolarHBondContact NE2-OG1 2.99Å
197L90.5Very high85.5Confident70 Ų7060.3 Ų60.337%0.36632%0.317SS..SBendtrans-72.5-42.3172.2-59.4178.1000110.7E149 N170 K172E149-L197 HydrophobicContact CG-CD1 4.36Å; N170-L197 PolarHBondContact O-N 3.42Å; N170-L197 PolarHBondContact OD1-N 3.33Å; K172-L197 HydrophobicContact CD-CD2 4.01Å; K172-L197 HydrophobicContact CG-CD2 4.14Å
198E83.7Confident85.8Confident89 Ų8953.5 Ų53.542%0.41628%0.281SS..SBendtrans-113.2119175.9-69175.6178.500109.8K168 N170K168-E198 IonicContact NZ-OE1 2.82Å; K168-E198 PolarHBondContact NZ-OE1 3.48Å; K168-E198 IonicContact NZ-OE2 2.64Å; K168-E198 PolarHBondContact NZ-OE2 3.13Å; N170-E198 PolarHBondContact ND2-O 2.97Å; N170-E198 WeakPolarHBondContact OD1-CB 3.48Å; N170-E198 PolarHBondContact OD1-N 2.6Å
199Q80.1Confident86Confident140 Ų14050.4 Ų50.465%0.65427%0.266SS*.  trans-84.9113.1177.4-63.2178.722.600109.5
200S64.7Low86Confident44 Ų4447.9 Ų47.931%0.30825%0.249SC..  trans-130.5141177.2-179.40000111
201N58.5Low85.9Confident144 Ų14448.4 Ų48.477%0.7725%0.252SS*.SBendtrans-83.8-9.1-179-71.8-25.7000113.4
202Q53.7Low85.3Confident179 Ų17948.3 Ų48.384%0.83626%0.256SS*.SBendtrans-143.650-169.2-70.9-170.4-20.100114.5
203T66.4Low84.5Confident34 Ų3452.7 Ų52.721%0.20929%0.287CS..  trans-129.1144.8174.849.90000112H205 M248T203-H205 PolarHBondContact OG1-NE2 2.96Å; T203-M248 VanDerWaalsContact CB-CG 3.48Å; T203-M248 HydrophobicContact CG2-CG 3.85Å; T203-M248 HydrophobicContact CG2-SD 3.68Å; T203-M248 PolarHBondContact OG1-SD 2.96Å
204S80.8Confident83.2Confident60 Ų6054.3 Ų54.342%0.4230%0.295SS..  trans-80.4120.7174.1-172.70000108.3A249S204-A249 PolarHBondContact O-N 3.42Å
205H89.1Confident81.8Confident20 Ų2063.2 Ų63.29%0.09334%0.336CS..EExtended strand (participates in β ladder)trans-94.8140.5175.2-60.2102.8000110.4H196 T203 S229 T234 V246 L247H196-H205 AromaticContact CE1-CD2 3.71Å; H196-H205 AromaticContact CE1-CE1 3.4Å; H196-H205 PolarHBondContact CE1-CE1 3.06Å; H196-H205 VanDerWaalsContact CE1-CE1 3.4Å; H196-H205 AromaticContact CE1-CG 3.93Å; H196-H205 AromaticContact CE1-ND1 3.73Å; H196-H205 AromaticContact CE1-NE2 3.38Å; H196-H205 PolarHBondContact CE1-NE2 3.01Å; H196-H205 AromaticContact ND1-CE1 3.97Å; H196-H205 AromaticContact ND1-NE2 3.75Å; H196-H205 AromaticContact NE2-CD2 3.72Å; H196-H205 AromaticContact NE2-CG 3.99Å; H196-H205 AromaticContact NE2-NE2 3.85Å; T203-H205 PolarHBondContact OG1-NE2 2.96Å; H205-S229 PolarHBondContact ND1-OG 3.29Å; H205-S229 VanDerWaalsContact ND1-OG 3.13Å; H205-T234 HydrophobicContact CB-CG2 4.4Å; H205-V246 HydrophobicContact CB-CG1 3.95Å; H205-L247 CarbonylContact C-O 3.57Å; H205-L247 VanDerWaalsContact CA-O 3.31Å; H205-L247 WeakPolarHBondContact CA-O 3.3Å
206T91.4Very high80.9Confident32 Ų3260.6 Ų60.620%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-128.4128.7177.5-56.50000109.4V208 D221 L247T206-V208 HydrophobicContact CG2-CG1 4.14Å; T206-D221 HydrophobicContact CG2-CB 4.09Å; T206-L247 PolarHBondContact N-O 3.3Å; T206-L247 PolarHBondContact O-N 3.29Å
207C93.9Very high80.6Confident3 Ų360 Ų602%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-81.1127.8174.2-67.60000110.2C224 V226 C236C207-C224 HydrophobicContact CB-CB 4.18Å; C207-V226 HydrophobicContact CB-CG2 4.42Å; C207-C236 HydrophobicContact CB-CB 3.6Å; C207-C236 WeakPolarHBondContact CB-SG 3.47Å; C207-C236 WeakPolarHBondContact SG-CA 3.46Å; C207-C236 WeakPolarHBondContact SG-CB 3.15Å; C207-C236 CovalentContact SG-SG 2.03Å; C207-C236 PolarHBondContact SG-SG 3Å
208V94.5Very high80.7Confident1 Ų157 Ų571%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-133.3157.8-179.2-66.10000112.1M159 T206 W219 S220 D221 F244 A245 L247M159-V208 HydrophobicContact CE-CG1 4.36Å; M159-V208 HydrophobicContact SD-CG1 4.23Å; T206-V208 HydrophobicContact CG2-CG1 4.14Å; V208-W219 HydrophobicContact CB-CB 4.19Å; V208-W219 HydrophobicContact CB-CE3 4.19Å; V208-W219 HydrophobicContact CG2-CB 4.08Å; V208-W219 HydrophobicContact CG2-CD2 3.98Å; V208-W219 HydrophobicContact CG2-CE3 3.63Å; V208-W219 HydrophobicContact CG2-CG 4.19Å; V208-W219 HydrophobicContact CG2-CZ3 4.43Å; V208-S220 CarbonylContact C-O 3.5Å; V208-S220 WeakPolarHBondContact CA-O 3.4Å; V208-S220 WeakPolarHBondContact CB-O 3.1Å; V208-D221 HydrophobicContact CG1-CB 4.32Å; V208-F244 WeakPolarHBondContact O-CA 3.37Å; V208-A245 HydrophobicContact CG2-CB 4.26Å; V208-A245 VanDerWaalsContact CG2-O 3.3Å; V208-A245 WeakPolarHBondContact CG2-O 2.99Å; V208-A245 PolarHBondContact N-O 3.39Å; V208-A245 PolarHBondContact O-N 3.11Å; V208-L247 HydrophobicContact CB-CD1 4.27Å; V208-L247 HydrophobicContact CG1-CD1 3.48Å; V208-L247 VanDerWaalsContact CG1-CD1 3.48Å; V208-L247 HydrophobicContact CG1-CG 4.13Å; V208-L247 HydrophobicContact CG2-CD1 3.87Å; V208-L247 HydrophobicContact CG2-CG 3.74Å
209F94.5Very high81.1Confident20 Ų2052.8 Ų52.89%0.08829%0.293CS..EExtended strand (participates in β ladder)trans-125.1156.9171.478.4-77.8000110.9D211 W219 S220 R222 H240 S243 F244F209-D211 HydrophobicContact CD2-CB 4.47Å; F209-D211 HydrophobicContact CE2-CB 3.74Å; F209-D211 HydrophobicContact CZ-CB 3.96Å; F209-D211 PolarHBondContact O-N 3.12Å; F209-W219 WeakPolarHBondContact O-CA 3.29Å; F209-S220 WeakPolarHBondContact CD1-O 3.34Å; F209-S220 PolarHBondContact N-O 3.11Å; F209-S220 PolarHBondContact O-N 2.99Å; F209-R222 WeakPolarHBondContact CD1-O 3.48Å; F209-R222 HydrophobicContact CE1-CB 4.03Å; F209-R222 WeakPolarHBondContact CE1-O 3.48Å; F209-H240 AromaticContact CD1-CE1 3.4Å; F209-H240 VanDerWaalsContact CD1-CE1 3.4Å; F209-H240 WeakPolarHBondContact CD1-CE1 3.49Å; F209-H240 AromaticContact CD1-NE2 3.47Å; F209-H240 WeakPolarHBondContact CD1-NE2 3.22Å; F209-H240 AromaticContact CD2-CE1 3.56Å; F209-H240 AromaticContact CE1-CE1 3.93Å; F209-H240 AromaticContact CE1-NE2 3.59Å; F209-H240 AromaticContact CG-CE1 3.21Å; F209-H240 WeakPolarHBondContact CG-CE1 3.44Å; F209-H240 AromaticContact CG-NE2 3.76Å; F209-H240 AromaticContact CZ-NE2 3.92Å; F209-S243 CarbonylContact C-O 3.52Å; F209-S243 WeakPolarHBondContact CA-O 3.45Å; F209-F244 HydrophobicContact CB-CD1 3.74Å; F209-F244 HydrophobicContact CB-CE1 3.76Å
210W93.4Very high81.6Confident5 Ų546.1 Ų46.12%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-81.5110.7178.4-172-94.2000110.6N61 V64 S65 L68 T152 F155 W219 S242 S243N61-W210 HydrophobicContact CB-CH2 4.13Å; N61-W210 HydrophobicContact CB-CZ2 4.01Å; V64-W210 HydrophobicContact CB-CH2 4.32Å; V64-W210 HydrophobicContact CB-CZ2 3.83Å; V64-W210 HydrophobicContact CG1-CD2 4.23Å; V64-W210 HydrophobicContact CG1-CH2 3.99Å; V64-W210 HydrophobicContact CG1-CZ2 3.56Å; V64-W210 HydrophobicContact CG1-CZ3 4.49Å; S65-W210 PolarHBondContact OG-NE1 3.4Å; L68-W210 HydrophobicContact CD1-CB 4Å; L68-W210 HydrophobicContact CD1-CD2 4.23Å; L68-W210 HydrophobicContact CD1-CG 3.66Å; T152-W210 HydrophobicContact CG2-CE3 4.32Å; T152-W210 HydrophobicContact CG2-CH2 4.37Å; T152-W210 HydrophobicContact CG2-CZ3 3.99Å; F155-W210 HydrophobicContact CB-CH2 3.84Å; F155-W210 HydrophobicContact CB-CZ3 4.03Å; F155-W210 AromaticContact CD2-CH2 3.92Å; F155-W210 HydrophobicContact CD2-CH2 3.92Å; F155-W210 HydrophobicContact CD2-CZ3 4.48Å; F155-W210 HydrophobicContact CG-CH2 4.11Å; W210-W219 HydrophobicContact CB-CE3 4.2Å; W210-W219 HydrophobicContact CB-CH2 4.16Å; W210-W219 HydrophobicContact CB-CZ3 3.82Å; W210-W219 AromaticContact CE3-CD2 3.73Å; W210-W219 HydrophobicContact CE3-CD2 3.73Å; W210-W219 AromaticContact CE3-CE2 3.52Å; W210-W219 HydrophobicContact CE3-CE3 4.19Å; W210-W219 HydrophobicContact CE3-CG 4.12Å; W210-W219 HydrophobicContact CE3-CH2 4.22Å; W210-W219 AromaticContact CE3-CZ2 3.79Å; W210-W219 HydrophobicContact CE3-CZ2 3.79Å; W210-W219 HydrophobicContact CE3-CZ3 4.42Å; W210-W219 AromaticContact CE3-NE1 3.8Å; W210-W219 AromaticContact CZ3-CD1 3.94Å; W210-W219 HydrophobicContact CZ3-CD2 4.31Å; W210-W219 AromaticContact CZ3-CE2 3.89Å; W210-W219 HydrophobicContact CZ3-CG 4.33Å; W210-W219 HydrophobicContact CZ3-CZ2 4.36Å; W210-W219 AromaticContact CZ3-NE1 3.66Å; W210-S242 PolarHBondContact O-OG 2.04Å; W210-S243 PolarHBondContact N-O 3.34Å
211D91.6Very high82.9Confident13 Ų1347 Ų477%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-96.898.6179-1760.6000111F209 S213 N214 G217 A218 R222F209-D211 HydrophobicContact CD2-CB 4.47Å; F209-D211 HydrophobicContact CE2-CB 3.74Å; F209-D211 HydrophobicContact CZ-CB 3.96Å; F209-D211 PolarHBondContact O-N 3.12Å; D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 3.07Å; D211-S213 PolarHBondContact OD1-OG 2.92Å; D211-S213 PolarHBondContact OD2-OG 3.08Å; D211-N214 PolarHBondContact OD2-ND2 2.82Å; D211-G217 WeakPolarHBondContact O-CA 3.36Å; D211-A218 WeakPolarHBondContact CB-O 3.29Å; D211-A218 PolarHBondContact N-O 3.34Å; D211-A218 PolarHBondContact O-N 3.44Å; D211-A218 VanDerWaalsContact O-N 3.08Å; D211-R222 IonicContact OD2-CZ 3.09Å; D211-R222 IonicContact OD2-NH2 3.61Å; D211-R222 PolarHBondContact OD2-NH2 3.37Å
212S85.8Confident84.4Confident60 Ų6046.6 Ų46.642%0.4225%0.25SS..THydrogen-bonded Turntrans-66.1-12.3178-590000114.3
213S80.2Confident86.2Confident92 Ų9239.9 Ų39.964%0.64323%0.229SC*.THydrogen-bonded Turntrans-80.2-20.2-175.870.80000114.4D211D211-S213 PolarHBondContact O-N 3.22Å; D211-S213 WeakPolarHBondContact OD1-CB 3.49Å; D211-S213 PolarHBondContact OD1-N 3.07Å; D211-S213 PolarHBondContact OD1-OG 2.92Å; D211-S213 PolarHBondContact OD2-OG 3.08Å
214N69.3Low87.5Confident49 Ų4939 Ų3926%0.26222%0.224SC..SBendtrans-92.8109-176.3-75-34.5000112.3S157 D211 G216 G217S157-N214 PolarHBondContact OG-ND2 3.35Å; D211-N214 PolarHBondContact OD2-ND2 2.82Å; N214-G216 PolarHBondContact O-N 2.78Å; N214-G217 PolarHBondContact O-N 3.35Å
215E68.7Low88.1Confident186 Ų18644.1 Ų44.187%0.86923%0.234SC*.THydrogen-bonded Turntrans44.430.7168.6-61.2-169.8173.700115.7N61N61-E215 PolarHBondContact ND2-O 3.13Å
216G75.1Confident88.3Confident18 Ų1846 Ų4619%0.18625%0.247CC..THydrogen-bonded Turntrans103.8-6.2-178.900000116.4N61 K62 S65 N214N61-G216 CarbonylContact C-O 3.47Å; N61-G216 VanDerWaalsContact ND2-C 3.33Å; K62-G216 VanDerWaalsContact CA-O 3.22Å; K62-G216 WeakPolarHBondContact CA-O 3.37Å; K62-G216 PolarHBondContact N-O 2.66Å; K62-G216 VanDerWaalsContact N-O 3.13Å; S65-G216 WeakPolarHBondContact CB-O 3.43Å; S65-G216 PolarHBondContact OG-O 3.32Å; N214-G216 PolarHBondContact O-N 2.78Å
217G87.2Confident88.4Confident1 Ų147.6 Ų47.61%0.0126%0.264CS..  trans130.7133.1176.400000112.9N61 S65 D211 N214N61-G217 WeakPolarHBondContact CB-O 3.38Å; N61-G217 PolarHBondContact ND2-N 2.86Å; N61-G217 PolarHBondContact ND2-O 2.93Å; S65-G217 VanDerWaalsContact OG-CA 3.27Å; S65-G217 WeakPolarHBondContact OG-CA 3.26Å; D211-G217 WeakPolarHBondContact O-CA 3.36Å; N214-G217 PolarHBondContact O-N 3.35Å
218A91.6Very high88.3Confident8 Ų852.1 Ų52.17%0.06628%0.284CS..EExtended strand (participates in β ladder)trans-158.3154.1173.100000112.3F155 S157 D211F155-A218 HydrophobicContact CB-CB 4.49Å; S157-A218 VanDerWaalsContact CB-CB 3.45Å; D211-A218 WeakPolarHBondContact CB-O 3.29Å; D211-A218 PolarHBondContact N-O 3.34Å; D211-A218 PolarHBondContact O-N 3.44Å; D211-A218 VanDerWaalsContact O-N 3.08Å
219W92.8Very high88Confident0 Ų054.6 Ų54.60%030%0.302CS..EExtended strand (participates in β ladder)trans-68.4131.9170-64.7111.1000111.3T152 F155 Y156 S157 M159 I169 V173 V208 F209 W210 A245T152-W219 HydrophobicContact CG2-CZ2 4.11Å; T152-W219 PolarHBondContact O-NE1 2.86Å; T152-W219 VanDerWaalsContact O-NE1 3.16Å; T152-W219 WeakPolarHBondContact OG1-CZ2 3.24Å; T152-W219 PolarHBondContact OG1-NE1 3.49Å; F155-W219 VanDerWaalsContact O-CD1 3.3Å; F155-W219 PolarHBondContact O-N 3.32Å; Y156-W219 HydrophobicContact CD1-CB 4.1Å; Y156-W219 AromaticContact CD1-CD1 4Å; Y156-W219 HydrophobicContact CD1-CG 4.43Å; Y156-W219 AromaticContact CE1-CD1 3.85Å; S157-W219 PolarHBondContact N-O 3.35Å; M159-W219 HydrophobicContact CE-CB 4.06Å; M159-W219 WeakPolarHBondContact CE-O 3.46Å; I169-W219 HydrophobicContact CD1-CZ2 4.4Å; I169-W219 VanDerWaalsContact CD1-NE1 3.35Å; V173-W219 HydrophobicContact CG1-CH2 3.9Å; V173-W219 HydrophobicContact CG1-CZ2 4.47Å; V173-W219 HydrophobicContact CG2-CH2 3.99Å; V173-W219 HydrophobicContact CG2-CZ2 3.85Å; V208-W219 HydrophobicContact CB-CB 4.19Å; V208-W219 HydrophobicContact CB-CE3 4.19Å; V208-W219 HydrophobicContact CG2-CB 4.08Å; V208-W219 HydrophobicContact CG2-CD2 3.98Å; V208-W219 HydrophobicContact CG2-CE3 3.63Å; V208-W219 HydrophobicContact CG2-CG 4.19Å; V208-W219 HydrophobicContact CG2-CZ3 4.43Å; F209-W219 WeakPolarHBondContact O-CA 3.29Å; W210-W219 HydrophobicContact CB-CE3 4.2Å; W210-W219 HydrophobicContact CB-CH2 4.16Å; W210-W219 HydrophobicContact CB-CZ3 3.82Å; W210-W219 AromaticContact CE3-CD2 3.73Å; W210-W219 HydrophobicContact CE3-CD2 3.73Å; W210-W219 AromaticContact CE3-CE2 3.52Å; W210-W219 HydrophobicContact CE3-CE3 4.19Å; W210-W219 HydrophobicContact CE3-CG 4.12Å; W210-W219 HydrophobicContact CE3-CH2 4.22Å; W210-W219 AromaticContact CE3-CZ2 3.79Å; W210-W219 HydrophobicContact CE3-CZ2 3.79Å; W210-W219 HydrophobicContact CE3-CZ3 4.42Å; W210-W219 AromaticContact CE3-NE1 3.8Å; W210-W219 AromaticContact CZ3-CD1 3.94Å; W210-W219 HydrophobicContact CZ3-CD2 4.31Å; W210-W219 AromaticContact CZ3-CE2 3.89Å; W210-W219 HydrophobicContact CZ3-CG 4.33Å; W210-W219 HydrophobicContact CZ3-CZ2 4.36Å; W210-W219 AromaticContact CZ3-NE1 3.66Å; W219-A245 HydrophobicContact CE3-CB 4.35Å; W219-A245 HydrophobicContact CH2-CB 3.74Å; W219-A245 HydrophobicContact CZ2-CB 4.07Å; W219-A245 HydrophobicContact CZ3-CB 3.88Å
220S91.3Very high87.7Confident0 Ų055.7 Ų55.70%031%0.309CS..EExtended strand (participates in β ladder)trans-134.4146.3177.8-1700000110.5V208 F209 R222V208-S220 CarbonylContact C-O 3.5Å; V208-S220 WeakPolarHBondContact CA-O 3.4Å; V208-S220 WeakPolarHBondContact CB-O 3.1Å; F209-S220 WeakPolarHBondContact CD1-O 3.34Å; F209-S220 PolarHBondContact N-O 3.11Å; F209-S220 PolarHBondContact O-N 2.99Å; S220-R222 WeakPolarHBondContact OG-CG 3.35Å; S220-R222 PolarHBondContact OG-NE 2.86Å
221D91.3Very high87.4Confident61 Ų6158 Ų5833%0.32632%0.324SS..  trans-89-3.3175.964.4-22.2000112.9T206 V208 G223 C224T206-D221 HydrophobicContact CG2-CB 4.09Å; V208-D221 HydrophobicContact CG1-CB 4.32Å; D221-G223 PolarHBondContact O-N 3.08Å; D221-C224 PolarHBondContact O-N 3.35Å; D221-C224 VanDerWaalsContact O-N 3.12Å; D221-C224 VanDerWaalsContact O-O 3.06Å
222R90.6Very high87.3Confident136 Ų13663.4 Ų63.451%0.51335%0.347SS..THydrogen-bonded Turntrans-61.7128.3-174.4-64-175.2-58.8150.4-1.8112F209 D211 S220 C224 H240F209-R222 WeakPolarHBondContact CD1-O 3.48Å; F209-R222 HydrophobicContact CE1-CB 4.03Å; F209-R222 WeakPolarHBondContact CE1-O 3.48Å; D211-R222 IonicContact OD2-CZ 3.09Å; D211-R222 IonicContact OD2-NH2 3.61Å; D211-R222 PolarHBondContact OD2-NH2 3.37Å; S220-R222 WeakPolarHBondContact OG-CG 3.35Å; S220-R222 PolarHBondContact OG-NE 2.86Å; R222-C224 PolarHBondContact O-N 3.1Å; R222-H240 PolarHBondContact O-NE2 2.8Å
223G90.1Very high87.6Confident38 Ų3863.8 Ų63.839%0.39234%0.339SS..THydrogen-bonded Turntrans76.2-1.1179.100000114.7D221 C238 N239D221-G223 PolarHBondContact O-N 3.08Å; G223-C238 WeakPolarHBondContact O-CA 3.34Å; G223-N239 WeakPolarHBondContact CA-OD1 3.43Å; G223-N239 PolarHBondContact O-N 3.3Å; G223-N239 PolarHBondContact O-OD1 3.43Å
224C93.5Very high88.3Confident16 Ų1659.4 Ų59.411%0.10831%0.309CS..EExtended strand (participates in β ladder)trans-115.2140.8175.6-74.40000111C207 D221 R222 C238C207-C224 HydrophobicContact CB-CB 4.18Å; D221-C224 PolarHBondContact O-N 3.35Å; D221-C224 VanDerWaalsContact O-N 3.12Å; D221-C224 VanDerWaalsContact O-O 3.06Å; R222-C224 PolarHBondContact O-N 3.1Å; C224-C238 HydrophobicContact CB-CB 4.22Å; C224-C238 WeakPolarHBondContact CB-SG 3.4Å; C224-C238 WeakPolarHBondContact SG-CB 3.34Å; C224-C238 CovalentContact SG-SG 2.05Å; C224-C238 PolarHBondContact SG-SG 2.94Å
225R93.5Very high89.6Confident167 Ų16757.8 Ų57.863%0.6330%0.301SS*.EExtended strand (participates in β ladder)trans-138.7151.6175.463-177176.8-166.5-0.8111.1A227 S237R225-A227 PolarHBondContact O-N 2.85Å; R225-S237 WeakPolarHBondContact CG-O 3.27Å; R225-S237 PolarHBondContact N-O 3.2Å; R225-S237 PolarHBondContact O-N 3.15Å
226V94Very high90.9Very high61 Ų6149 Ų4937%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-76.7118.5172.6179.40000108.6C207 T234C207-V226 HydrophobicContact CB-CG2 4.42Å; V226-T234 HydrophobicContact CG1-CG2 3.94Å; V226-T234 HydrophobicContact CG2-CG2 4.27Å
227A93.4Very high91.9Very high65 Ų6548.5 Ų48.554%0.53725%0.254SS..EExtended strand (participates in β ladder)trans-87.3-43.4174.300000111.5R225 V235R225-A227 PolarHBondContact O-N 2.85Å; A227-V235 HydrophobicContact CB-CB 4.46Å; A227-V235 HydrophobicContact CB-CG1 4.29Å; A227-V235 PolarHBondContact N-O 3.46Å
228E92.2Very high92.3Very high98 Ų9848.5 Ų48.546%0.45825%0.253SS..EExtended strand (participates in β ladder)trans-147.7144.2178.6-174.7-172136.900108.5Y233 V235E228-Y233 WeakPolarHBondContact OE1-CE2 3.22Å; E228-Y233 PolarHBondContact OE1-OH 3.18Å; E228-V235 HydrophobicContact CB-CB 4.07Å; E228-V235 HydrophobicContact CB-CG2 3.98Å; E228-V235 PolarHBondContact N-O 3.37Å; E228-V235 PolarHBondContact O-N 3.16Å
229S88.8Confident92.5Very high53 Ų5351 Ų5137%0.37127%0.265SS..EExtended strand (participates in β ladder)trans-144.9137.2174.1-174.70000110.2H205 T234H205-S229 PolarHBondContact ND1-OG 3.29Å; H205-S229 VanDerWaalsContact ND1-OG 3.13Å; S229-T234 PolarHBondContact OG-OG1 2.72Å
230N87.2Confident92.5Very high43 Ų4351.9 Ų51.923%0.2327%0.27CS..  trans-137.2177.2173.771.436.3000109.7H196 K232 Y233H196-N230 PolarHBondContact CE1-O 3.22Å; H196-N230 PolarHBondContact ND1-O 2.91Å; N230-K232 PolarHBondContact O-N 3.39Å; N230-K232 VanDerWaalsContact O-N 3.12Å; N230-K232 WeakPolarHBondContact OD1-CA 3.21Å; N230-K232 WeakPolarHBondContact OD1-CB 3.43Å; N230-K232 PolarHBondContact OD1-N 3.38Å; N230-Y233 PolarHBondContact N-O 3.28Å; N230-Y233 VanDerWaalsContact ND2-CD1 3.3Å; N230-Y233 WeakPolarHBondContact ND2-CD1 3.27Å; N230-Y233 WeakPolarHBondContact ND2-CE1 3.28Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.39Å; N230-Y233 PolarHBondContact ND2-OH 3.23Å; N230-Y233 VanDerWaalsContact O-O 3.14Å; N230-Y233 PolarHBondContact OD1-N 3.03Å; N230-Y233 PolarHBondContact OD1-O 2.93Å
231P86.4Confident92.6Very high52 Ų5252.3 Ų52.334%0.33827%0.272SS..SBendtrans-62.6-20.4-178-26.436.3000115.1H196H196-P231 PolarHBondContact ND1-O 2.94Å
232K89.6Confident92.7Very high128 Ų12850.3 Ų50.356%0.55726%0.263SS*.SBendtrans-101.3-29.9-174.1-63.8-177.5179.8-179.50114.3H196 N230H196-K232 PolarHBondContact N-O 3.39Å; N230-K232 PolarHBondContact O-N 3.39Å; N230-K232 VanDerWaalsContact O-N 3.12Å; N230-K232 WeakPolarHBondContact OD1-CA 3.21Å; N230-K232 WeakPolarHBondContact OD1-CB 3.43Å; N230-K232 PolarHBondContact OD1-N 3.38Å
233Y92.9Very high92.9Very high67 Ų6744 Ų4426%0.26324%0.239SC..EExtended strand (participates in β ladder)trans-153.8159.1-177.268.2-107000111.7T193 L194 E228 N230 V235T193-Y233 HydrophobicContact CG2-CD2 3.62Å; T193-Y233 HydrophobicContact CG2-CE2 4.32Å; T193-Y233 HydrophobicContact CG2-CG 3.84Å; L194-Y233 CarbonylContact O-C 3.56Å; L194-Y233 VanDerWaalsContact O-CA 3.22Å; L194-Y233 WeakPolarHBondContact O-CA 3.36Å; L194-Y233 WeakPolarHBondContact O-CB 3.24Å; E228-Y233 WeakPolarHBondContact OE1-CE2 3.22Å; E228-Y233 PolarHBondContact OE1-OH 3.18Å; N230-Y233 PolarHBondContact N-O 3.28Å; N230-Y233 VanDerWaalsContact ND2-CD1 3.3Å; N230-Y233 WeakPolarHBondContact ND2-CD1 3.27Å; N230-Y233 WeakPolarHBondContact ND2-CE1 3.28Å; N230-Y233 WeakPolarHBondContact ND2-CE2 3.39Å; N230-Y233 PolarHBondContact ND2-OH 3.23Å; N230-Y233 VanDerWaalsContact O-O 3.14Å; N230-Y233 PolarHBondContact OD1-N 3.03Å; N230-Y233 PolarHBondContact OD1-O 2.93Å; Y233-V235 HydrophobicContact CD2-CG2 3.9Å; Y233-V235 HydrophobicContact CE2-CG2 3.7Å
234T94.4Very high93.2Very high0 Ų042.2 Ų42.20%022%0.221CC..EExtended strand (participates in β ladder)trans-126.8134.7169.6-69.10000109.8T193 L194 H196 H205 V226 S229 V246T193-T234 CarbonylContact C-O 3.49Å; T193-T234 WeakPolarHBondContact CA-O 3.44Å; L194-T234 PolarHBondContact N-O 2.95Å; L194-T234 PolarHBondContact O-N 2.94Å; H196-T234 PolarHBondContact CE1-OG1 3.26Å; H196-T234 VanDerWaalsContact CE1-OG1 3.28Å; H196-T234 WeakPolarHBondContact NE2-CB 3.36Å; H196-T234 PolarHBondContact NE2-N 3.41Å; H196-T234 PolarHBondContact NE2-OG1 2.99Å; H205-T234 HydrophobicContact CB-CG2 4.4Å; V226-T234 HydrophobicContact CG1-CG2 3.94Å; V226-T234 HydrophobicContact CG2-CG2 4.27Å; S229-T234 PolarHBondContact OG-OG1 2.72Å; T234-V246 HydrophobicContact CG2-CG2 4.27Å
235V96.4Very high93.3Very high16 Ų1641.5 Ų41.510%0.09722%0.216CC..EExtended strand (participates in β ladder)trans-97.2114.4175.1-1720000108.8N191 T193 A227 E228 Y233N191-V235 HydrophobicContact CB-CG1 4.37Å; T193-V235 HydrophobicContact CG2-CG2 4.17Å; A227-V235 HydrophobicContact CB-CB 4.46Å; A227-V235 HydrophobicContact CB-CG1 4.29Å; A227-V235 PolarHBondContact N-O 3.46Å; E228-V235 HydrophobicContact CB-CB 4.07Å; E228-V235 HydrophobicContact CB-CG2 3.98Å; E228-V235 PolarHBondContact N-O 3.37Å; E228-V235 PolarHBondContact O-N 3.16Å; Y233-V235 HydrophobicContact CD2-CG2 3.9Å; Y233-V235 HydrophobicContact CE2-CG2 3.7Å
236C96.6Very high93.3Very high1 Ų133.5 Ų33.51%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-97.8129.2178.4-620000110.5N191 I192 C207N191-C236 CarbonylContact C-O 3.53Å; N191-C236 VanDerWaalsContact CA-O 3.32Å; N191-C236 WeakPolarHBondContact CA-O 3.49Å; I192-C236 HydrophobicContact CB-CB 4.47Å; I192-C236 PolarHBondContact N-O 3.32Å; I192-C236 PolarHBondContact O-N 2.98Å; C207-C236 HydrophobicContact CB-CB 3.6Å; C207-C236 WeakPolarHBondContact CB-SG 3.47Å; C207-C236 WeakPolarHBondContact SG-CA 3.46Å; C207-C236 WeakPolarHBondContact SG-CB 3.15Å; C207-C236 CovalentContact SG-SG 2.03Å; C207-C236 PolarHBondContact SG-SG 3Å
237S96.7Very high93.1Very high8 Ų830.6 Ų30.66%0.05617%0.168CC..EExtended strand (participates in β ladder)trans-108.3110.6173.9-172.50000108.3P189 V190 N191 R225P189-S237 WeakPolarHBondContact CB-OG 3.31Å; V190-S237 WeakPolarHBondContact O-CA 3.47Å; N191-S237 WeakPolarHBondContact OD1-CB 3.49Å; N191-S237 PolarHBondContact OD1-OG 3.17Å; R225-S237 WeakPolarHBondContact CG-O 3.27Å; R225-S237 PolarHBondContact N-O 3.2Å; R225-S237 PolarHBondContact O-N 3.15Å
238C95.9Very high92.7Very high0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-121141.5-174-64.40000111.3P189 V190 G223 C224 H240 F244P189-C238 CarbonylContact C-O 3.45Å; P189-C238 WeakPolarHBondContact CA-O 3.2Å; P189-C238 VanDerWaalsContact CB-O 3.27Å; P189-C238 WeakPolarHBondContact CB-O 3.3Å; V190-C238 HydrophobicContact CG1-CB 4.31Å; V190-C238 PolarHBondContact N-O 3.03Å; V190-C238 PolarHBondContact O-N 3.43Å; G223-C238 WeakPolarHBondContact O-CA 3.34Å; C224-C238 HydrophobicContact CB-CB 4.22Å; C224-C238 WeakPolarHBondContact CB-SG 3.4Å; C224-C238 WeakPolarHBondContact SG-CB 3.34Å; C224-C238 CovalentContact SG-SG 2.05Å; C224-C238 PolarHBondContact SG-SG 2.94Å; C238-H240 VanDerWaalsContact C-N 3.34Å; C238-F244 HydrophobicContact CB-CE1 3.74Å; C238-F244 HydrophobicContact CB-CZ 4.2Å; C238-F244 WeakPolarHBondContact SG-CE1 3.46Å
239N94.8Very high92Very high60 Ų6023.1 Ų23.132%0.32112%0.122SC..SBendtrans-93.112.9-178.871.8-16.1000114.1L186 G223L186-N239 PolarHBondContact N-O 3.24Å; G223-N239 WeakPolarHBondContact CA-OD1 3.43Å; G223-N239 PolarHBondContact O-N 3.3Å; G223-N239 PolarHBondContact O-OD1 3.43Å
240H93.9Very high90.7Very high19 Ų1923.3 Ų23.39%0.08812%0.119CC..SBendtrans-147.1170.1178.75763.7000109.4T183 K184 F209 R222 C238 F244T183-H240 CarbonylContact O-C 3.52Å; T183-H240 VanDerWaalsContact O-CA 3.24Å; T183-H240 WeakPolarHBondContact O-CA 3.46Å; T183-H240 VanDerWaalsContact O-CB 3.28Å; T183-H240 WeakPolarHBondContact O-CB 3.1Å; K184-H240 WeakPolarHBondContact O-CB 3.38Å; F209-H240 AromaticContact CD1-CE1 3.4Å; F209-H240 VanDerWaalsContact CD1-CE1 3.4Å; F209-H240 WeakPolarHBondContact CD1-CE1 3.49Å; F209-H240 AromaticContact CD1-NE2 3.47Å; F209-H240 WeakPolarHBondContact CD1-NE2 3.22Å; F209-H240 AromaticContact CD2-CE1 3.56Å; F209-H240 AromaticContact CE1-CE1 3.93Å; F209-H240 AromaticContact CE1-NE2 3.59Å; F209-H240 AromaticContact CG-CE1 3.21Å; F209-H240 WeakPolarHBondContact CG-CE1 3.44Å; F209-H240 AromaticContact CG-NE2 3.76Å; F209-H240 AromaticContact CZ-NE2 3.92Å; R222-H240 PolarHBondContact O-NE2 2.8Å; C238-H240 VanDerWaalsContact C-N 3.34Å; H240-F244 AromaticContact CE1-CE1 3.89Å; H240-F244 AromaticContact ND1-CE1 3.99Å; H240-F244 WeakPolarHBondContact O-CZ 3.42Å
241L92.6Very high89.4Confident9 Ų926.2 Ų26.25%0.04713%0.127CC..  trans-114.6137173.4-55173.1000110.3I122 V176 V178 T183 L186 V190I122-L241 HydrophobicContact CD1-CD1 4.38Å; I122-L241 HydrophobicContact CD1-CD2 4.37Å; V176-L241 HydrophobicContact CB-CD2 4.37Å; V176-L241 HydrophobicContact CG1-CD2 3.98Å; V178-L241 HydrophobicContact CB-CD1 4.05Å; V178-L241 HydrophobicContact CG1-CD1 3.59Å; V178-L241 HydrophobicContact CG2-CD1 3.27Å; T183-L241 HydrophobicContact CG2-CB 4.33Å; T183-L241 HydrophobicContact CG2-CD1 3.97Å; T183-L241 PolarHBondContact O-N 3.31Å; L186-L241 HydrophobicContact CD1-CD2 4.01Å; L186-L241 HydrophobicContact CD1-CG 4.02Å; L186-L241 HydrophobicContact CD2-CD1 4.45Å; L186-L241 HydrophobicContact CD2-CG 4.37Å; V190-L241 HydrophobicContact CB-CD2 4.19Å; V190-L241 HydrophobicContact CG1-CD2 3.7Å; V190-L241 HydrophobicContact CG2-CD2 4.46Å
242S92.6Very high87.2Confident19 Ų1928.2 Ų28.213%0.13314%0.135CC..SBendtrans-167.6-156.1-176.5-168.60000109.5V176 W210 F244V176-S242 PolarHBondContact N-O 2.93Å; W210-S242 PolarHBondContact O-OG 2.04Å; S242-F244 WeakPolarHBondContact O-CD2 3.34Å; S242-F244 WeakPolarHBondContact O-CE2 3.38Å
243S95Very high85Confident3 Ų327.7 Ų27.72%0.02114%0.137CC..EExtended strand (participates in β ladder)trans-94.6133.4164.1-52.60000110.5L68 V174 T175 F209 W210L68-S243 WeakPolarHBondContact CD2-OG 3.3Å; V174-S243 CarbonylContact O-C 3.01Å; V174-S243 WeakPolarHBondContact O-CA 3.48Å; T175-S243 PolarHBondContact OG1-OG 3.29Å; F209-S243 CarbonylContact C-O 3.52Å; F209-S243 WeakPolarHBondContact CA-O 3.45Å; W210-S243 PolarHBondContact N-O 3.34Å
244F96.4Very high82.6Confident2 Ų232.8 Ų32.81%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-122.6152.2-172.1-58.5-83000112.1V173 V174 V176 I192 L194 V208 F209 C238 H240 S242V173-F244 WeakPolarHBondContact CA-O 3.01Å; V174-F244 HydrophobicContact CG2-CB 4.26Å; V174-F244 PolarHBondContact N-O 2.79Å; V174-F244 PolarHBondContact O-N 3.3Å; V176-F244 HydrophobicContact CB-CE2 4.33Å; V176-F244 HydrophobicContact CG2-CD2 4.21Å; V176-F244 HydrophobicContact CG2-CE2 4.21Å; I192-F244 HydrophobicContact CD1-CB 4.4Å; I192-F244 HydrophobicContact CD1-CD1 4.07Å; I192-F244 HydrophobicContact CD1-CD2 3.29Å; I192-F244 HydrophobicContact CD1-CE1 4.15Å; I192-F244 HydrophobicContact CD1-CE2 3.36Å; I192-F244 HydrophobicContact CD1-CG 3.65Å; I192-F244 HydrophobicContact CD1-CZ 3.81Å; L194-F244 HydrophobicContact CD1-CB 4.37Å; V208-F244 WeakPolarHBondContact O-CA 3.37Å; F209-F244 HydrophobicContact CB-CD1 3.74Å; F209-F244 HydrophobicContact CB-CE1 3.76Å; C238-F244 HydrophobicContact CB-CE1 3.74Å; C238-F244 HydrophobicContact CB-CZ 4.2Å; C238-F244 WeakPolarHBondContact SG-CE1 3.46Å; H240-F244 AromaticContact CE1-CE1 3.89Å; H240-F244 AromaticContact ND1-CE1 3.99Å; H240-F244 WeakPolarHBondContact O-CZ 3.42Å; S242-F244 WeakPolarHBondContact O-CD2 3.34Å; S242-F244 WeakPolarHBondContact O-CE2 3.38Å
245A95.9Very high80.4Confident0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-151165.8170.700000110.7I169 S171 V173 V208 W219I169-A245 HydrophobicContact CG2-CB 4.21Å; S171-A245 WeakPolarHBondContact OG-CA 3.36Å; V173-A245 HydrophobicContact CG2-CB 4.47Å; V208-A245 HydrophobicContact CG2-CB 4.26Å; V208-A245 VanDerWaalsContact CG2-O 3.3Å; V208-A245 WeakPolarHBondContact CG2-O 2.99Å; V208-A245 PolarHBondContact N-O 3.39Å; V208-A245 PolarHBondContact O-N 3.11Å; W219-A245 HydrophobicContact CE3-CB 4.35Å; W219-A245 HydrophobicContact CH2-CB 3.74Å; W219-A245 HydrophobicContact CZ2-CB 4.07Å; W219-A245 HydrophobicContact CZ3-CB 3.88Å
246V94.1Very high78.5Confident0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-105.7126.6169.2174.90000108.5N170 S171 L194 H205 T234N170-V246 PolarHBondContact N-O 3.41Å; S171-V246 PolarHBondContact OG-N 3.4Å; L194-V246 HydrophobicContact CB-CG2 3.68Å; L194-V246 HydrophobicContact CD1-CG2 3.73Å; L194-V246 HydrophobicContact CG-CG2 4.32Å; H205-V246 HydrophobicContact CB-CG1 3.95Å; T234-V246 HydrophobicContact CG2-CG2 4.27Å
247L89.8Confident76.6Confident0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-90.9145.2166.6-65.6169.7000109.8Y156 M159 F167 K168 I169 H205 T206 V208Y156-L247 HydrophobicContact CD1-CD1 4.27Å; Y156-L247 HydrophobicContact CD1-CD2 4.35Å; Y156-L247 HydrophobicContact CE1-CD1 4.28Å; Y156-L247 HydrophobicContact CE1-CD2 3.58Å; M159-L247 HydrophobicContact CE-CD1 3.32Å; M159-L247 HydrophobicContact SD-CD1 3.36Å; M159-L247 WeakPolarHBondContact SD-CD1 3.27Å; F167-L247 HydrophobicContact CB-CD1 4.48Å; F167-L247 HydrophobicContact CB-CD2 4.46Å; F167-L247 HydrophobicContact CD1-CB 4.46Å; K168-L247 CarbonylContact O-C 3.6Å; K168-L247 WeakPolarHBondContact O-CA 3.23Å; I169-L247 HydrophobicContact CB-CD2 4.37Å; I169-L247 HydrophobicContact CG1-CD2 3.59Å; H205-L247 CarbonylContact C-O 3.57Å; H205-L247 VanDerWaalsContact CA-O 3.31Å; H205-L247 WeakPolarHBondContact CA-O 3.3Å; T206-L247 PolarHBondContact N-O 3.3Å; T206-L247 PolarHBondContact O-N 3.29Å; V208-L247 HydrophobicContact CB-CD1 4.27Å; V208-L247 HydrophobicContact CG1-CD1 3.48Å; V208-L247 VanDerWaalsContact CG1-CD1 3.48Å; V208-L247 HydrophobicContact CG1-CG 4.13Å; V208-L247 HydrophobicContact CG2-CD1 3.87Å; V208-L247 HydrophobicContact CG2-CG 3.74Å
248M85.3Confident74.9Confident4 Ų450.1 Ų50.12%0.0225%0.25CS..EExtended strand (participates in β ladder)trans-110.9127.8168.1-177.3173.759.800108.3K168 N170 T203 L250K168-M248 PolarHBondContact N-O 3.03Å; K168-M248 PolarHBondContact O-N 3.3Å; N170-M248 HydrophobicContact CB-CB 3.65Å; N170-M248 HydrophobicContact CB-CE 4.49Å; T203-M248 VanDerWaalsContact CB-CG 3.48Å; T203-M248 HydrophobicContact CG2-CG 3.85Å; T203-M248 HydrophobicContact CG2-SD 3.68Å; T203-M248 PolarHBondContact OG1-SD 2.96Å; M248-L250 HydrophobicContact CE-CD2 3.77Å; M248-L250 PolarHBondContact O-N 3.19Å
249A76.2Confident73.3Confident1 Ų150.9 Ų50.91%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-73.7111.9169.500000109.1N166 F167 S204N166-A249 CarbonylContact O-C 3.56Å; F167-A249 HydrophobicContact CD1-CB 4.27Å; F167-A249 HydrophobicContact CE1-CB 4.03Å; S204-A249 PolarHBondContact O-N 3.42Å
250L62.9Low72Confident58 Ų5852.9 Ų52.930%0.30426%0.261SS..EExtended strand (participates in β ladder)trans-84.5116.7163-64.5177.6000106.9N166 K168 M248 D252N166-L250 HydrophobicContact CB-CB 4.32Å; N166-L250 PolarHBondContact N-O 3.3Å; N166-L250 PolarHBondContact O-N 2.88Å; K168-L250 HydrophobicContact CB-CD1 3.7Å; K168-L250 HydrophobicContact CB-CG 4.14Å; K168-L250 HydrophobicContact CD-CD1 3.92Å; K168-L250 HydrophobicContact CG-CD1 4.45Å; M248-L250 HydrophobicContact CE-CD2 3.77Å; M248-L250 PolarHBondContact O-N 3.19Å; L250-D252 PolarHBondContact O-N 2.63Å
251Y58Low70.9Confident104 Ų10456.4 Ų56.441%0.40828%0.28SS..EExtended strand (participates in β ladder)trans-75.2117.4163-65.3-84.4000105.4Q165 I253Q165-Y251 HydrophobicContact CG-CD1 3.97Å; Q165-Y251 HydrophobicContact CG-CE1 3.66Å; Q165-Y251 PolarHBondContact NE2-OH 2.84Å; Q165-Y251 VanDerWaalsContact NE2-OH 3.11Å; Y251-I253 WeakPolarHBondContact O-CG1 3.36Å; Y251-I253 PolarHBondContact O-N 3.04Å
252D42.1Very low69.8Low93 Ų9359.3 Ų59.350%0.49730%0.295SS..  trans-66.891.4168.4-82.3-30.1000106.2S164 L250 E254S164-D252 PolarHBondContact O-N 3.05Å; L250-D252 PolarHBondContact O-N 2.63Å; D252-E254 PolarHBondContact O-N 3.15Å; D252-E254 VanDerWaalsContact O-N 3.12Å
253I43.3Very low69.1Low117 Ų11759.6 Ų59.660%0.630%0.297SS*.  trans-86.148.5175.6-67.5179.4000106.5Y251 S255 P256Y251-I253 WeakPolarHBondContact O-CG1 3.36Å; Y251-I253 PolarHBondContact O-N 3.04Å; I253-S255 PolarHBondContact O-N 2.81Å; I253-P256 HydrophobicContact CB-CG 4.37Å; I253-P256 HydrophobicContact CG2-CG 3.05Å
254E42.1Very low68.6Low175 Ų17565.5 Ų65.582%0.81832%0.319SS*.  trans-78.475.4162.1-84.6-170.9158.300107.5D252D252-E254 PolarHBondContact O-N 3.15Å; D252-E254 VanDerWaalsContact O-N 3.12Å
255S48.2Very low68.1Low46 Ų4670.5 Ų70.532%0.32235%0.345SS..SBendtrans167.8-14.2154.246.20000118.2I253 L259I253-S255 PolarHBondContact O-N 2.81Å; S255-L259 WeakPolarHBondContact O-CB 3.49Å; S255-L259 VanDerWaalsContact O-CD1 3.28Å; S255-L259 WeakPolarHBondContact O-CD1 3.47Å
256P55.8Low67.7Low54 Ų5470.9 Ų70.935%0.35135%0.349SS..Hα-helixtrans-84.6-27.6-178.628.7-29.4000113.7I253 Q260I253-P256 HydrophobicContact CB-CG 4.37Å; I253-P256 HydrophobicContact CG2-CG 3.05Å; P256-Q260 WeakPolarHBondContact O-CA 3.44Å; P256-Q260 WeakPolarHBondContact O-CB 3.25Å; P256-Q260 PolarHBondContact O-N 2.65Å
257F58.1Low67.5Low157 Ų15771.7 Ų71.769%0.68935%0.353SS*.Hα-helixtrans-67.8-46.5-174.7-171.9-101.7000112.9Q260 L261F257-Q260 PolarHBondContact O-N 2.69Å; F257-L261 WeakPolarHBondContact O-CB 3.27Å; F257-L261 PolarHBondContact O-N 3.13Å
258E60.3Low67.5Low132 Ų13273.9 Ų73.962%0.61737%0.368SS*.Hα-helixtrans-67.8-45.5178.3-64.3-172.2-178.300112Q260 L261 I262E258-Q260 VanDerWaalsContact C-N 3.32Å; E258-Q260 PolarHBondContact O-N 3.03Å; E258-L261 PolarHBondContact O-N 2.89Å; E258-I262 WeakPolarHBondContact O-CB 3.36Å; E258-I262 VanDerWaalsContact O-CG1 3.27Å; E258-I262 WeakPolarHBondContact O-CG1 3.24Å; E258-I262 PolarHBondContact O-N 3.14Å
259L61.5Low67.9Low15 Ų1577.7 Ų77.78%0.07939%0.388CS..Hα-helixtrans-64.1-36.4176.2-84.6160.3000112.1S255 S263 Y476 T479S255-L259 WeakPolarHBondContact O-CB 3.49Å; S255-L259 VanDerWaalsContact O-CD1 3.28Å; S255-L259 WeakPolarHBondContact O-CD1 3.47Å; L259-S263 WeakPolarHBondContact O-CB 3.17Å; L259-S263 PolarHBondContact O-N 2.93Å; L259-S263 PolarHBondContact O-OG 2.96Å; L259-Y476 HydrophobicContact CD1-CD1 4.27Å; L259-Y476 HydrophobicContact CD1-CD2 4.17Å; L259-Y476 HydrophobicContact CD1-CE1 3.88Å; L259-Y476 HydrophobicContact CD1-CE2 3.77Å; L259-Y476 HydrophobicContact CD1-CG 4.4Å; L259-Y476 HydrophobicContact CD2-CD1 3.5Å; L259-Y476 VanDerWaalsContact CD2-CD1 3.5Å; L259-Y476 HydrophobicContact CD2-CE1 3.67Å; L259-Y476 HydrophobicContact CD2-CG 3.97Å; L259-Y476 HydrophobicContact CG-CD1 3.94Å; L259-Y476 HydrophobicContact CG-CE1 3.54Å; L259-Y476 HydrophobicContact CG-CE2 4.37Å; L259-Y476 HydrophobicContact CG-CG 4.5Å; L259-T479 HydrophobicContact CD2-CG2 3.72Å
260Q67.3Low68.7Low103 Ų10377.8 Ų77.848%0.48139%0.389SS..Hα-helixtrans-71.2-38.8177.2-174172.4-5.400111.1P256 F257 E258 S263 W264P256-Q260 WeakPolarHBondContact O-CA 3.44Å; P256-Q260 WeakPolarHBondContact O-CB 3.25Å; P256-Q260 PolarHBondContact O-N 2.65Å; F257-Q260 PolarHBondContact O-N 2.69Å; E258-Q260 VanDerWaalsContact C-N 3.32Å; E258-Q260 PolarHBondContact O-N 3.03Å; Q260-S263 PolarHBondContact O-N 2.73Å; Q260-W264 WeakPolarHBondContact O-CB 3.32Å; Q260-W264 VanDerWaalsContact O-CD1 3.28Å; Q260-W264 PolarHBondContact O-N 3.42Å
261L70.9Confident70.2Confident92 Ų9275.9 Ų75.948%0.48238%0.379SS..Hα-helixtrans-64.6-47.4174.1-175.171.8000111.2F257 E258 S263 W264 I265F257-L261 WeakPolarHBondContact O-CB 3.27Å; F257-L261 PolarHBondContact O-N 3.13Å; E258-L261 PolarHBondContact O-N 2.89Å; L261-S263 VanDerWaalsContact C-N 3.32Å; L261-S263 PolarHBondContact O-N 3.48Å; L261-W264 PolarHBondContact O-N 2.93Å; L261-I265 HydrophobicContact CD1-CD1 4.14Å; L261-I265 HydrophobicContact CG-CD1 4Å; L261-I265 WeakPolarHBondContact O-CG1 3.44Å; L261-I265 PolarHBondContact O-N 2.84Å
262I71.2Confident72Confident71 Ų7175.8 Ų75.836%0.36439%0.385SS..Hα-helixtrans-60.2-44.2176-68.2166.9000110.4E258 G266 I480E258-I262 WeakPolarHBondContact O-CB 3.36Å; E258-I262 VanDerWaalsContact O-CG1 3.27Å; E258-I262 WeakPolarHBondContact O-CG1 3.24Å; E258-I262 PolarHBondContact O-N 3.14Å; I262-G266 PolarHBondContact O-N 3.38Å; I262-I480 HydrophobicContact CG2-CG1 4.42Å
263S77.8Confident74.5Confident25 Ų2572 Ų7218%0.17537%0.365CS..Hα-helixtrans-61.1-46.5176.2-62.50000111.8L259 Q260 L261 G266 L267 T479L259-S263 WeakPolarHBondContact O-CB 3.17Å; L259-S263 PolarHBondContact O-N 2.93Å; L259-S263 PolarHBondContact O-OG 2.96Å; Q260-S263 PolarHBondContact O-N 2.73Å; L261-S263 VanDerWaalsContact C-N 3.32Å; L261-S263 PolarHBondContact O-N 3.48Å; S263-G266 PolarHBondContact O-N 2.69Å; S263-L267 WeakPolarHBondContact O-CB 3.33Å; S263-L267 WeakPolarHBondContact O-CD1 3.36Å; S263-L267 WeakPolarHBondContact O-CG 3.46Å; S263-L267 PolarHBondContact O-N 2.99Å; S263-T479 WeakPolarHBondContact OG-CG2 3.5Å
264W82.8Confident77Confident126 Ų12666.5 Ų66.548%0.47734%0.337SS..Hα-helixtrans-64.4-46.8-178.2-97.382.2000112.3Q260 L261 S268 L310Q260-W264 WeakPolarHBondContact O-CB 3.32Å; Q260-W264 VanDerWaalsContact O-CD1 3.28Å; Q260-W264 PolarHBondContact O-N 3.42Å; L261-W264 PolarHBondContact O-N 2.93Å; W264-S268 VanDerWaalsContact O-CB 3.25Å; W264-S268 WeakPolarHBondContact O-CB 3.16Å; W264-S268 PolarHBondContact O-N 3.12Å; W264-S268 PolarHBondContact O-OG 2.82Å; W264-L310 HydrophobicContact CD2-CD1 3.52Å; W264-L310 HydrophobicContact CD2-CG 4.43Å; W264-L310 HydrophobicContact CE3-CD1 3.52Å; W264-L310 HydrophobicContact CE3-CD2 4.25Å; W264-L310 HydrophobicContact CE3-CG 4.04Å; W264-L310 HydrophobicContact CG-CD1 4.2Å; W264-L310 HydrophobicContact CH2-CD1 3.71Å; W264-L310 HydrophobicContact CH2-CD2 4.31Å; W264-L310 HydrophobicContact CH2-CG 3.59Å; W264-L310 HydrophobicContact CZ2-CD1 3.7Å; W264-L310 HydrophobicContact CZ2-CG 4.01Å; W264-L310 HydrophobicContact CZ3-CD1 3.61Å; W264-L310 HydrophobicContact CZ3-CD2 3.86Å; W264-L310 HydrophobicContact CZ3-CG 3.6Å
265I87.3Confident79.5Confident108 Ų10863.1 Ų63.155%0.55432%0.32SS*.Hα-helixtrans-65-48.3177.6-64.7171.5000109.9L261 S268 L269L261-I265 HydrophobicContact CD1-CD1 4.14Å; L261-I265 HydrophobicContact CG-CD1 4Å; L261-I265 WeakPolarHBondContact O-CG1 3.44Å; L261-I265 PolarHBondContact O-N 2.84Å; I265-S268 PolarHBondContact O-N 3.37Å; I265-L269 PolarHBondContact O-N 3Å
266G86.8Confident81.6Confident8 Ų864.3 Ų64.38%0.08232%0.322CS..Hα-helixtrans-61.5-49-17900000112.5I262 S263 S268 L269 S270 S483I262-G266 PolarHBondContact O-N 3.38Å; S263-G266 PolarHBondContact O-N 2.69Å; G266-S268 VanDerWaalsContact C-N 3.35Å; G266-S268 PolarHBondContact O-N 3.19Å; G266-L269 PolarHBondContact O-N 2.99Å; G266-S270 VanDerWaalsContact O-CB 3.28Å; G266-S270 WeakPolarHBondContact O-CB 2.94Å; G266-S270 PolarHBondContact O-N 2.92Å; G266-S483 CarbonylContact C-O 3.59Å
267L89Confident83.4Confident16 Ų1661.8 Ų61.88%0.08431%0.305CS..Hα-helixtrans-65.6-36.2178.5-67.4169.5000112.1S263 S270 L271 T306 F309S263-L267 WeakPolarHBondContact O-CB 3.33Å; S263-L267 WeakPolarHBondContact O-CD1 3.36Å; S263-L267 WeakPolarHBondContact O-CG 3.46Å; S263-L267 PolarHBondContact O-N 2.99Å; L267-S270 WeakPolarHBondContact O-CB 3.43Å; L267-S270 PolarHBondContact O-N 3.46Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.49Å; L267-T306 HydrophobicContact CB-CG2 4.03Å; L267-T306 HydrophobicContact CD2-CG2 3.87Å; L267-T306 HydrophobicContact CG-CG2 4.46Å; L267-F309 HydrophobicContact CD1-CD1 3.78Å; L267-F309 HydrophobicContact CD1-CE1 3.69Å
268S91.4Very high85.1Confident46 Ų4655.7 Ų55.732%0.32228%0.28SS..Hα-helixtrans-64.4-44.9175.3-610000111.6W264 I265 G266 S270 L271 I272W264-S268 VanDerWaalsContact O-CB 3.25Å; W264-S268 WeakPolarHBondContact O-CB 3.16Å; W264-S268 PolarHBondContact O-N 3.12Å; W264-S268 PolarHBondContact O-OG 2.82Å; I265-S268 PolarHBondContact O-N 3.37Å; G266-S268 VanDerWaalsContact C-N 3.35Å; G266-S268 PolarHBondContact O-N 3.19Å; S268-S270 VanDerWaalsContact C-N 3.33Å; S268-L271 PolarHBondContact O-N 2.93Å; S268-I272 PolarHBondContact O-N 3.33Å
269L93.4Very high86.6Confident84 Ų8452.6 Ų52.644%0.4427%0.267SS..Hα-helixtrans-62.9-42174.2-178.661.1000111.4I265 G266 L271 I272 C273 V487I265-L269 PolarHBondContact O-N 3Å; G266-L269 PolarHBondContact O-N 2.99Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.27Å; L269-I272 PolarHBondContact O-N 2.86Å; L269-C273 PolarHBondContact O-N 3.46Å; L269-V487 HydrophobicContact CD2-CG2 4.16Å; L269-V487 HydrophobicContact CG-CG2 3.95Å
270S93.2Very high87.9Confident3 Ų352.5 Ų52.52%0.02127%0.267CS..Hα-helixtrans-58.2-42.4176.2-161.20000112.2G266 L267 S268 I272 C273 L274 S483 G486G266-S270 VanDerWaalsContact O-CB 3.28Å; G266-S270 WeakPolarHBondContact O-CB 2.94Å; G266-S270 PolarHBondContact O-N 2.92Å; L267-S270 WeakPolarHBondContact O-CB 3.43Å; L267-S270 PolarHBondContact O-N 3.46Å; S268-S270 VanDerWaalsContact C-N 3.33Å; S270-I272 PolarHBondContact O-N 2.81Å; S270-C273 PolarHBondContact O-N 2.9Å; S270-L274 WeakPolarHBondContact O-CB 3.43Å; S270-L274 VanDerWaalsContact O-CG 3.27Å; S270-L274 WeakPolarHBondContact O-CG 3.3Å; S270-L274 PolarHBondContact O-N 3.5Å; S270-S483 VanDerWaalsContact CB-O 3.26Å; S270-S483 WeakPolarHBondContact CB-O 3.44Å; S270-S483 PolarHBondContact OG-O 3.33Å; S270-G486 WeakPolarHBondContact OG-CA 3.3Å; S270-G486 PolarHBondContact OG-N 3.42Å
271L94.4Very high89Confident19 Ų1947.9 Ų47.910%0.09925%0.245CC..Hα-helixtrans-60.3-43.6175.4-80.2171.6000112.5L267 S268 L269 L274 F275 F303 T306 L307 L310L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.49Å; S268-L271 PolarHBondContact O-N 2.93Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.27Å; L271-L274 PolarHBondContact O-N 2.97Å; L271-F275 WeakPolarHBondContact O-CB 3.39Å; L271-F275 PolarHBondContact O-N 3.24Å; L271-F303 HydrophobicContact CB-CE2 4.49Å; L271-F303 HydrophobicContact CD2-CD2 3.62Å; L271-F303 HydrophobicContact CD2-CE2 3.76Å; L271-F303 HydrophobicContact CD2-CG 4.27Å; L271-F303 HydrophobicContact CD2-CZ 4.5Å; L271-T306 HydrophobicContact CD1-CG2 4.15Å; L271-T306 HydrophobicContact CD2-CG2 3.83Å; L271-T306 HydrophobicContact CG-CG2 3.69Å; L271-L307 HydrophobicContact CD2-CB 4.31Å; L271-L310 HydrophobicContact CD1-CD2 4.08Å
272I95.5Very high89.8Confident102 Ų10246.1 Ų46.152%0.52324%0.241SC..Hα-helixtrans-62.6-47.4177.1-62.5168.6000109.9S268 L269 S270 L274 F275 L276S268-I272 PolarHBondContact O-N 3.33Å; L269-I272 PolarHBondContact O-N 2.86Å; S270-I272 PolarHBondContact O-N 2.81Å; I272-L274 PolarHBondContact O-N 3.24Å; I272-F275 PolarHBondContact O-N 2.88Å; I272-L276 HydrophobicContact CG2-CD1 4.45Å; I272-L276 WeakPolarHBondContact O-CG 3.29Å; I272-L276 PolarHBondContact O-N 2.74Å
273C94.9Very high90.4Very high13 Ų1349 Ų499%0.08826%0.256CS..Hα-helixtrans-61.3-43.5177.8-73.70000112.8L269 S270 L276 C277 V487 F490L269-C273 PolarHBondContact O-N 3.46Å; S270-C273 PolarHBondContact O-N 2.9Å; C273-L276 PolarHBondContact O-N 3.1Å; C273-C277 PolarHBondContact O-N 3.35Å; C273-C277 PolarHBondContact O-SG 2.82Å; C273-V487 HydrophobicContact CB-CG2 4.48Å; C273-F490 HydrophobicContact CB-CB 3.85Å; C273-F490 HydrophobicContact CB-CG 4.28Å
274L94.2Very high90.8Very high1 Ų148.5 Ų48.51%0.00525%0.252CS..Hα-helixtrans-64.6-40.5176.9-74.5168.8000111.7S270 L271 I272 L276 C277 I278 C299 L302 F303 L489S270-L274 WeakPolarHBondContact O-CB 3.43Å; S270-L274 VanDerWaalsContact O-CG 3.27Å; S270-L274 WeakPolarHBondContact O-CG 3.3Å; S270-L274 PolarHBondContact O-N 3.5Å; L271-L274 PolarHBondContact O-N 2.97Å; I272-L274 PolarHBondContact O-N 3.24Å; L274-L276 PolarHBondContact O-N 2.98Å; L274-C277 WeakPolarHBondContact O-CB 3.36Å; L274-C277 PolarHBondContact O-N 3.42Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.29Å; L274-I278 PolarHBondContact O-N 3.38Å; L274-C299 HydrophobicContact CD2-CB 4.13Å; L274-L302 HydrophobicContact CD1-CB 4.05Å; L274-L302 HydrophobicContact CD2-CB 4.34Å; L274-F303 HydrophobicContact CB-CB 4.31Å; L274-F303 HydrophobicContact CB-CD2 4.13Å; L274-F303 HydrophobicContact CD1-CB 4.5Å; L274-L489 HydrophobicContact CD2-CD1 3.98Å
275F95.3Very high90.4Very high105 Ų10552.6 Ų52.646%0.46127%0.267SS..Hα-helixtrans-59.9-46.1175179.7-107.2000111.5L271 I272 C277 I278 L279 F303L271-F275 WeakPolarHBondContact O-CB 3.39Å; L271-F275 PolarHBondContact O-N 3.24Å; I272-F275 PolarHBondContact O-N 2.88Å; F275-C277 PolarHBondContact O-N 2.92Å; F275-I278 PolarHBondContact O-N 3.48Å; F275-L279 HydrophobicContact CD1-CD1 4.02Å; F275-L279 HydrophobicContact CE1-CD1 3.49Å; F275-L279 VanDerWaalsContact CE1-CD1 3.49Å; F275-L279 HydrophobicContact CE1-CG 4.18Å; F275-L279 HydrophobicContact CZ-CD1 3.83Å; F275-L279 HydrophobicContact CZ-CD2 4.25Å; F275-L279 HydrophobicContact CZ-CG 4.16Å; F275-L279 WeakPolarHBondContact O-CG 3.5Å; F275-L279 PolarHBondContact O-N 2.95Å; F275-F303 HydrophobicContact CB-CE2 4.05Å
276L93.1Very high89.8Confident71 Ų7152 Ų5237%0.37227%0.272SS..Hα-helixtrans-61-42174.6-66175.9000111.8I272 C273 L274 I278 L279 T280 F490I272-L276 HydrophobicContact CG2-CD1 4.45Å; I272-L276 WeakPolarHBondContact O-CG 3.29Å; I272-L276 PolarHBondContact O-N 2.74Å; C273-L276 PolarHBondContact O-N 3.1Å; L274-L276 PolarHBondContact O-N 2.98Å; L276-I278 VanDerWaalsContact C-N 3.34Å; L276-I278 PolarHBondContact O-N 2.77Å; L276-L279 PolarHBondContact O-N 3.32Å; L276-T280 WeakPolarHBondContact O-CB 3.28Å; L276-T280 PolarHBondContact O-N 3.25Å; L276-T280 PolarHBondContact O-OG1 2.97Å; L276-F490 HydrophobicContact CB-CD2 4.23Å; L276-F490 HydrophobicContact CB-CE2 3.84Å; L276-F490 HydrophobicContact CD1-CE2 4.36Å; L276-F490 HydrophobicContact CD1-CZ 4.27Å
277C92.3Very high89.5Confident0 Ų052.4 Ų52.40%027%0.272CS..Hα-helixtrans-57.4-46.4174.3-66.50000112.2C273 L274 F275 L279 T280 F281 C299 F490C273-C277 PolarHBondContact O-N 3.35Å; C273-C277 PolarHBondContact O-SG 2.82Å; L274-C277 WeakPolarHBondContact O-CB 3.36Å; L274-C277 PolarHBondContact O-N 3.42Å; F275-C277 PolarHBondContact O-N 2.92Å; C277-L279 VanDerWaalsContact C-N 3.35Å; C277-L279 PolarHBondContact O-N 2.99Å; C277-T280 PolarHBondContact O-N 3.08Å; C277-F281 HydrophobicContact CB-CD2 4.39Å; C277-F281 HydrophobicContact CB-CE2 4.16Å; C277-F281 VanDerWaalsContact O-CD2 3.23Å; C277-F281 WeakPolarHBondContact O-CD2 3.31Å; C277-F281 PolarHBondContact O-N 2.98Å; C277-C299 HydrophobicContact CB-CB 4.32Å; C277-F490 WeakPolarHBondContact SG-CA 3.35Å; C277-F490 VanDerWaalsContact SG-CB 3.52Å
278I94Very high89.1Confident30 Ų3057.4 Ų57.415%0.15429%0.294CS..Hα-helixtrans-61.4-45.8-179.4-68.7165.2000110.1L274 F275 L276 T280 S282 L296 C299 I300 F303L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.29Å; L274-I278 PolarHBondContact O-N 3.38Å; F275-I278 PolarHBondContact O-N 3.48Å; L276-I278 VanDerWaalsContact C-N 3.34Å; L276-I278 PolarHBondContact O-N 2.77Å; I278-T280 PolarHBondContact O-N 2.98Å; I278-S282 WeakPolarHBondContact O-CB 3.46Å; I278-S282 PolarHBondContact O-N 3.05Å; I278-L296 HydrophobicContact CB-CD1 4.38Å; I278-L296 HydrophobicContact CG1-CD1 4.49Å; I278-L296 HydrophobicContact CG2-CD1 4.05Å; I278-C299 HydrophobicContact CD1-CB 4.4Å; I278-C299 HydrophobicContact CG1-CB 3.74Å; I278-I300 HydrophobicContact CD1-CG1 4.02Å; I278-I300 HydrophobicContact CG1-CG1 4.04Å; I278-I300 HydrophobicContact CG2-CG1 4.36Å; I278-F303 HydrophobicContact CD1-CB 3.87Å; I278-F303 HydrophobicContact CD1-CD2 4.49Å; I278-F303 HydrophobicContact CD1-CG 4.08Å
279L91.9Very high88.7Confident66 Ų6657.4 Ų57.435%0.34629%0.294SS..Hα-helixtrans-58.8-47.8176.1-69.5-179.5000111.3F275 L276 C277 S282 L283F275-L279 HydrophobicContact CD1-CD1 4.02Å; F275-L279 HydrophobicContact CE1-CD1 3.49Å; F275-L279 VanDerWaalsContact CE1-CD1 3.49Å; F275-L279 HydrophobicContact CE1-CG 4.18Å; F275-L279 HydrophobicContact CZ-CD1 3.83Å; F275-L279 HydrophobicContact CZ-CD2 4.25Å; F275-L279 HydrophobicContact CZ-CG 4.16Å; F275-L279 WeakPolarHBondContact O-CG 3.5Å; F275-L279 PolarHBondContact O-N 2.95Å; L276-L279 PolarHBondContact O-N 3.32Å; C277-L279 VanDerWaalsContact C-N 3.35Å; C277-L279 PolarHBondContact O-N 2.99Å; L279-S282 PolarHBondContact O-N 3.2Å; L279-L283 HydrophobicContact CB-CD1 4.36Å; L279-L283 HydrophobicContact CD2-CD1 4.15Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.33Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.07Å
280T89.6Confident88.3Confident13 Ų1355.5 Ų55.58%0.0829%0.286CS..Hα-helixtrans-59.8-52.4-179.6-63.70000112.3L276 C277 I278 S282 I284 I287 V500 Y504L276-T280 WeakPolarHBondContact O-CB 3.28Å; L276-T280 PolarHBondContact O-N 3.25Å; L276-T280 PolarHBondContact O-OG1 2.97Å; C277-T280 PolarHBondContact O-N 3.08Å; I278-T280 PolarHBondContact O-N 2.98Å; T280-S282 VanDerWaalsContact C-N 3.34Å; T280-S282 PolarHBondContact O-N 3.26Å; T280-I284 HydrophobicContact CG2-CD1 3.84Å; T280-I284 VanDerWaalsContact O-CB 3.32Å; T280-I284 WeakPolarHBondContact O-CB 3.31Å; T280-I284 WeakPolarHBondContact O-CG1 3.44Å; T280-I284 PolarHBondContact O-N 3.25Å; T280-I287 HydrophobicContact CG2-CD1 4.23Å; T280-V500 HydrophobicContact CG2-CG1 3.61Å; T280-Y504 HydrophobicContact CG2-CE1 3.76Å; T280-Y504 WeakPolarHBondContact CG2-OH 3.28Å; T280-Y504 PolarHBondContact OG1-OH 3.4Å
281F89.5Confident87.8Confident6 Ų658.7 Ų58.73%0.02630%0.298CS..Hα-helixtrans-74.1-23.6-177.8-60.5-44.8000113.8C277 I287 T292 H295 L296 H493 V500C277-F281 HydrophobicContact CB-CD2 4.39Å; C277-F281 HydrophobicContact CB-CE2 4.16Å; C277-F281 VanDerWaalsContact O-CD2 3.23Å; C277-F281 WeakPolarHBondContact O-CD2 3.31Å; C277-F281 PolarHBondContact O-N 2.98Å; F281-I287 HydrophobicContact CD1-CD1 3.87Å; F281-I287 HydrophobicContact CE1-CD1 4.42Å; F281-T292 HydrophobicContact CD1-CG2 4.26Å; F281-T292 HydrophobicContact CE1-CG2 4.35Å; F281-H295 HydrophobicContact CD2-CB 4.2Å; F281-H295 HydrophobicContact CE2-CB 3.87Å; F281-H295 HydrophobicContact CZ-CB 4.32Å; F281-L296 HydrophobicContact CB-CB 3.98Å; F281-L296 HydrophobicContact CB-CD1 4.13Å; F281-H493 HydrophobicContact CE2-CB 4.48Å; F281-H493 HydrophobicContact CZ-CB 3.8Å; F281-V500 HydrophobicContact CE1-CG2 4.29Å
282S87.6Confident87.5Confident56 Ų5658.5 Ų58.539%0.39230%0.298SS..Hα-helixtrans-81.4-49.5178.5-175.20000112.6I278 L279 T280 K288I278-S282 WeakPolarHBondContact O-CB 3.46Å; I278-S282 PolarHBondContact O-N 3.05Å; L279-S282 PolarHBondContact O-N 3.2Å; T280-S282 VanDerWaalsContact C-N 3.34Å; T280-S282 PolarHBondContact O-N 3.26Å; S282-K288 PolarHBondContact O-NZ 3.49Å
283L85.1Confident87.2Confident131 Ų13155.4 Ų55.469%0.68628%0.283SS*.Hα-helixtrans-82.8-34.3-170.2-61.4177.5000113L279 R285L279-L283 HydrophobicContact CB-CD1 4.36Å; L279-L283 HydrophobicContact CD2-CD1 4.15Å; L279-L283 VanDerWaalsContact O-CB 3.26Å; L279-L283 WeakPolarHBondContact O-CB 3.33Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.07Å; L283-R285 PolarHBondContact O-N 3.12Å
284I84.7Confident87Confident14 Ų1454.8 Ų54.87%0.07228%0.279CS..  trans-8098.1-178.6-56.8177.5000109.2T280 S286 I287 E503 Y504 I507T280-I284 HydrophobicContact CG2-CD1 3.84Å; T280-I284 VanDerWaalsContact O-CB 3.32Å; T280-I284 WeakPolarHBondContact O-CB 3.31Å; T280-I284 WeakPolarHBondContact O-CG1 3.44Å; T280-I284 PolarHBondContact O-N 3.25Å; I284-S286 VanDerWaalsContact C-N 3.26Å; I284-S286 PolarHBondContact O-N 2.85Å; I284-I287 HydrophobicContact CB-CD1 3.84Å; I284-I287 HydrophobicContact CB-CG1 3.83Å; I284-I287 HydrophobicContact CD1-CD1 4.28Å; I284-I287 HydrophobicContact CG2-CB 4.29Å; I284-I287 HydrophobicContact CG2-CD1 4Å; I284-I287 HydrophobicContact CG2-CG1 3.71Å; I284-I287 HydrophobicContact CG2-CG2 3.89Å; I284-I287 WeakPolarHBondContact O-CG1 3.27Å; I284-E503 HydrophobicContact CD1-CB 4.47Å; I284-E503 HydrophobicContact CD1-CG 4.1Å; I284-E503 HydrophobicContact CG2-CB 4.39Å; I284-E503 HydrophobicContact CG2-CG 3.68Å; I284-Y504 HydrophobicContact CD1-CD1 4.33Å; I284-Y504 HydrophobicContact CD1-CE1 4.07Å; I284-I507 HydrophobicContact CD1-CD1 4.35Å
285R76.1Confident86.9Confident212 Ų21254.9 Ų54.980%0.828%0.279SS*.G310 helixtrans-66.9-29.5-179.2-155.6176.2-172169.61.9112.6L283 I287 K288L283-R285 PolarHBondContact O-N 3.12Å; R285-I287 VanDerWaalsContact C-N 3.29Å; R285-I287 PolarHBondContact O-N 3.28Å; R285-K288 HydrophobicContact CG-CD 4.33Å; R285-K288 PolarHBondContact O-N 2.93Å
286S74.1Confident86.7Confident95 Ų9551.1 Ų51.166%0.66426%0.264SS*.G310 helixtrans-61.9-31.8-177.8-169.10000113.4I284I284-S286 VanDerWaalsContact C-N 3.26Å; I284-S286 PolarHBondContact O-N 2.85Å
287I79.3Confident86.8Confident17 Ų1749.3 Ų49.39%0.08725%0.254CS..G310 helixtrans-95.87.5-17666.5176.4000113.7T280 F281 I284 R285 S289 T292 P499 V500T280-I287 HydrophobicContact CG2-CD1 4.23Å; F281-I287 HydrophobicContact CD1-CD1 3.87Å; F281-I287 HydrophobicContact CE1-CD1 4.42Å; I284-I287 HydrophobicContact CB-CD1 3.84Å; I284-I287 HydrophobicContact CB-CG1 3.83Å; I284-I287 HydrophobicContact CD1-CD1 4.28Å; I284-I287 HydrophobicContact CG2-CB 4.29Å; I284-I287 HydrophobicContact CG2-CD1 4Å; I284-I287 HydrophobicContact CG2-CG1 3.71Å; I284-I287 HydrophobicContact CG2-CG2 3.89Å; I284-I287 WeakPolarHBondContact O-CG1 3.27Å; R285-I287 VanDerWaalsContact C-N 3.29Å; R285-I287 PolarHBondContact O-N 3.28Å; I287-S289 PolarHBondContact O-N 2.93Å; I287-T292 WeakPolarHBondContact O-CG2 3.11Å; I287-T292 PolarHBondContact O-OG1 2.64Å; I287-P499 HydrophobicContact CG2-CB 4.47Å; I287-V500 HydrophobicContact CD1-CG2 3.96Å
288K80.6Confident86.8Confident122 Ų12249.3 Ų49.353%0.5325%0.254SS..  trans-68.9117.5-177.2-75.4-171.9177.9-177.10110.8S282 R285S282-K288 PolarHBondContact O-NZ 3.49Å; R285-K288 HydrophobicContact CG-CD 4.33Å; R285-K288 PolarHBondContact O-N 2.93Å
289S83.9Confident86.9Confident46 Ų4648 Ų4832%0.32225%0.247SC..  trans-146159.8177.767.20000108.5I287 R291 T292 T293I287-S289 PolarHBondContact O-N 2.93Å; S289-R291 PolarHBondContact O-N 3.24Å; S289-R291 VanDerWaalsContact O-N 3.08Å; S289-T292 PolarHBondContact N-OG1 3.39Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 PolarHBondContact O-OG1 3.49Å; S289-T292 VanDerWaalsContact O-OG1 3.09Å; S289-T292 PolarHBondContact OG-N 2.98Å; S289-T292 VanDerWaalsContact OG-N 3.13Å; S289-T292 PolarHBondContact OG-OG1 2.83Å; S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 PolarHBondContact O-OG1 2.82Å
290P84.4Confident87.1Confident44 Ų4447.1 Ų47.129%0.28624%0.242SC..Hα-helixtrans-51.8-35174.5-27.835.2000112.9I294P290-I294 WeakPolarHBondContact O-CG1 3.29Å; P290-I294 PolarHBondContact O-N 3.16Å; P290-I294 VanDerWaalsContact O-N 3.08Å
291R84.1Confident87.3Confident70 Ų7046.5 Ų46.526%0.26424%0.238SC..Hα-helixtrans-66.2-49.2175.8178.9176.2-178.8-112.20.9112.8S289 T293 I294 H295 Q346S289-R291 PolarHBondContact O-N 3.24Å; S289-R291 VanDerWaalsContact O-N 3.08Å; R291-T293 VanDerWaalsContact C-N 3.28Å; R291-T293 PolarHBondContact O-N 3.29Å; R291-I294 WeakPolarHBondContact O-CB 3.27Å; R291-I294 PolarHBondContact O-N 3.34Å; R291-I294 VanDerWaalsContact O-N 3.16Å; R291-H295 WeakPolarHBondContact CG-NE2 3.43Å; R291-H295 PolarHBondContact NE-NE2 3.08Å; R291-H295 PolarHBondContact O-CD2 3.21Å; R291-H295 VanDerWaalsContact O-CD2 3.28Å; R291-H295 PolarHBondContact O-N 3.4Å; R291-Q346 HydrophobicContact CB-CG 4.38Å
292T87.3Confident87.5Confident15 Ų1546.5 Ų46.59%0.09224%0.239CC..Hα-helixtrans-69.7-27178.750.70000112.3F281 I287 S289 H295 L296F281-T292 HydrophobicContact CD1-CG2 4.26Å; F281-T292 HydrophobicContact CE1-CG2 4.35Å; I287-T292 WeakPolarHBondContact O-CG2 3.11Å; I287-T292 PolarHBondContact O-OG1 2.64Å; S289-T292 PolarHBondContact N-OG1 3.39Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 PolarHBondContact O-OG1 3.49Å; S289-T292 VanDerWaalsContact O-OG1 3.09Å; S289-T292 PolarHBondContact OG-N 2.98Å; S289-T292 VanDerWaalsContact OG-N 3.13Å; S289-T292 PolarHBondContact OG-OG1 2.83Å; T292-H295 PolarHBondContact O-N 3.23Å; T292-L296 WeakPolarHBondContact O-CB 3.25Å; T292-L296 PolarHBondContact O-N 3.14Å
293T89.8Confident87.9Confident36 Ų3646.2 Ų46.222%0.22123%0.23CC..Hα-helixtrans-64.2-42.7167.7-580000111.9S289 R291 L296 H297 M364S289-T293 PolarHBondContact O-N 2.92Å; S289-T293 PolarHBondContact O-OG1 2.82Å; R291-T293 VanDerWaalsContact C-N 3.28Å; R291-T293 PolarHBondContact O-N 3.29Å; T293-L296 PolarHBondContact O-N 2.99Å; T293-H297 PolarHBondContact O-CD2 3.35Å; T293-H297 VanDerWaalsContact O-CD2 3.27Å; T293-H297 PolarHBondContact O-N 3.13Å; T293-H297 VanDerWaalsContact O-N 3.09Å; T293-M364 HydrophobicContact CG2-CE 4.35Å
294I91.1Very high88.4Confident1 Ų142.2 Ų42.21%0.00521%0.21CC..Hα-helixtrans-59.3-49.6173.5-68.6164.4000110.4P290 R291 L296 H297 L298 W339 L342 E343 Q346 M364P290-I294 WeakPolarHBondContact O-CG1 3.29Å; P290-I294 PolarHBondContact O-N 3.16Å; P290-I294 VanDerWaalsContact O-N 3.08Å; R291-I294 WeakPolarHBondContact O-CB 3.27Å; R291-I294 PolarHBondContact O-N 3.34Å; R291-I294 VanDerWaalsContact O-N 3.16Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 3Å; I294-H297 PolarHBondContact O-N 3.45Å; I294-L298 WeakPolarHBondContact O-CB 3.23Å; I294-L298 PolarHBondContact O-N 3.33Å; I294-W339 HydrophobicContact CB-CE3 4.38Å; I294-W339 HydrophobicContact CG1-CE3 4.26Å; I294-W339 HydrophobicContact CG1-CZ3 4.15Å; I294-W339 HydrophobicContact CG2-CE3 4.13Å; I294-L342 HydrophobicContact CD1-CB 4.35Å; I294-E343 HydrophobicContact CG2-CB 3.82Å; I294-Q346 HydrophobicContact CD1-CB 3.71Å; I294-Q346 HydrophobicContact CD1-CG 3.96Å; I294-M364 HydrophobicContact CD1-CE 3.88Å; I294-M364 HydrophobicContact CG1-CE 3.3Å
295H90.5Very high88.9Confident2 Ų241.6 Ų41.61%0.00921%0.206CC..Hα-helixtrans-60.7-39.3178.9-61.1-42.5000112.4F281 R291 T292 L298 C299 E343 H493F281-H295 HydrophobicContact CD2-CB 4.2Å; F281-H295 HydrophobicContact CE2-CB 3.87Å; F281-H295 HydrophobicContact CZ-CB 4.32Å; R291-H295 WeakPolarHBondContact CG-NE2 3.43Å; R291-H295 PolarHBondContact NE-NE2 3.08Å; R291-H295 PolarHBondContact O-CD2 3.21Å; R291-H295 VanDerWaalsContact O-CD2 3.28Å; R291-H295 PolarHBondContact O-N 3.4Å; T292-H295 PolarHBondContact O-N 3.23Å; H295-L298 PolarHBondContact O-N 3.22Å; H295-C299 WeakPolarHBondContact O-CB 3.22Å; H295-C299 PolarHBondContact O-N 3.38Å; H295-C299 PolarHBondContact O-SG 3.12Å; H295-E343 VanDerWaalsContact CE1-CD 3.43Å; H295-E343 IonicContact CE1-OE1 3.22Å; H295-E343 PolarHBondContact CE1-OE1 2.9Å; H295-E343 VanDerWaalsContact CE1-OE1 3.22Å; H295-E343 IonicContact CE1-OE2 3.82Å; H295-E343 IonicContact ND1-OE1 3.82Å; H295-E343 IonicContact ND1-OE2 3.64Å; H295-H493 AromaticContact CE1-CE1 3.42Å; H295-H493 PolarHBondContact CE1-CE1 3.39Å; H295-H493 VanDerWaalsContact CE1-CE1 3.42Å; H295-H493 AromaticContact CE1-ND1 3.64Å; H295-H493 AromaticContact CE1-NE2 3.85Å; H295-H493 AromaticContact NE2-CE1 3.81Å; H295-H493 AromaticContact NE2-ND1 3.58Å
296L92.6Very high89.6Confident26 Ų2631.9 Ų31.914%0.13617%0.17CC..Hα-helixtrans-59.3-50.4175.6175.362.2000111.3I278 F281 T292 T293 I294 C299 I300I278-L296 HydrophobicContact CB-CD1 4.38Å; I278-L296 HydrophobicContact CG1-CD1 4.49Å; I278-L296 HydrophobicContact CG2-CD1 4.05Å; F281-L296 HydrophobicContact CB-CB 3.98Å; F281-L296 HydrophobicContact CB-CD1 4.13Å; T292-L296 WeakPolarHBondContact O-CB 3.25Å; T292-L296 PolarHBondContact O-N 3.14Å; T293-L296 PolarHBondContact O-N 2.99Å; I294-L296 VanDerWaalsContact C-N 3.31Å; I294-L296 PolarHBondContact O-N 3Å; L296-C299 PolarHBondContact O-N 3.48Å; L296-I300 HydrophobicContact CD1-CD1 3.96Å; L296-I300 HydrophobicContact CD1-CG1 4.32Å; L296-I300 HydrophobicContact CG-CD1 3.95Å; L296-I300 VanDerWaalsContact O-CG1 3.31Å; L296-I300 WeakPolarHBondContact O-CG1 3.42Å; L296-I300 PolarHBondContact O-N 3.32Å
297H94.4Very high90.5Very high33 Ų3331.3 Ų31.315%0.15316%0.16CC..Hα-helixtrans-68.4-35.2-179.4-79.3-76.9000113.2T293 I294 I300 S301 W339 M365 Y369T293-H297 PolarHBondContact O-CD2 3.35Å; T293-H297 VanDerWaalsContact O-CD2 3.27Å; T293-H297 PolarHBondContact O-N 3.13Å; T293-H297 VanDerWaalsContact O-N 3.09Å; I294-H297 PolarHBondContact O-N 3.45Å; H297-I300 PolarHBondContact O-N 2.83Å; H297-S301 PolarHBondContact O-N 3.39Å; H297-S301 PolarHBondContact O-OG 3.38Å; H297-W339 HydrophobicContact CB-CD2 3.73Å; H297-W339 VanDerWaalsContact CB-CE2 3.41Å; H297-W339 HydrophobicContact CB-CE3 4.11Å; H297-W339 HydrophobicContact CB-CG 4.3Å; H297-W339 HydrophobicContact CB-CH2 3.93Å; H297-W339 HydrophobicContact CB-CZ2 3.54Å; H297-W339 HydrophobicContact CB-CZ3 4.2Å; H297-W339 AromaticContact CG-CH2 4Å; H297-W339 AromaticContact CG-CZ2 3.71Å; H297-M365 VanDerWaalsContact CE1-CE 3.5Å; H297-M365 WeakPolarHBondContact CE1-CE 3.13Å; H297-M365 WeakPolarHBondContact NE2-CE 3.35Å; H297-Y369 AromaticContact ND1-CE2 3.47Å; H297-Y369 WeakPolarHBondContact ND1-CE2 3.43Å; H297-Y369 AromaticContact ND1-CZ 3.67Å; H297-Y369 PolarHBondContact ND1-OH 2.78Å
298L93.2Very high91.2Very high0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-60.1-44.6170.1177.360.1000111.6I294 H295 S301 L302 S336 W339 M340 L489I294-L298 WeakPolarHBondContact O-CB 3.23Å; I294-L298 PolarHBondContact O-N 3.33Å; H295-L298 PolarHBondContact O-N 3.22Å; L298-S301 PolarHBondContact O-N 2.98Å; L298-S301 PolarHBondContact O-OG 3.35Å; L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.26Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.24Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-S336 WeakPolarHBondContact CD1-O 3.35Å; L298-W339 HydrophobicContact CB-CB 4.03Å; L298-W339 HydrophobicContact CD1-CB 4.14Å; L298-M340 HydrophobicContact CD1-CE 3.79Å; L298-M340 HydrophobicContact CD1-CG 3.77Å; L298-M340 HydrophobicContact CD2-CG 4.19Å; L298-L489 HydrophobicContact CD2-CD2 4.06Å
299C94.9Very high91.6Very high3 Ų328.7 Ų28.72%0.0215%0.149CC..Hα-helixtrans-66.2-41.1177.6-670000111.5L274 C277 I278 H295 L296 F303L274-C299 HydrophobicContact CD2-CB 4.13Å; C277-C299 HydrophobicContact CB-CB 4.32Å; I278-C299 HydrophobicContact CD1-CB 4.4Å; I278-C299 HydrophobicContact CG1-CB 3.74Å; H295-C299 WeakPolarHBondContact O-CB 3.22Å; H295-C299 PolarHBondContact O-N 3.38Å; H295-C299 PolarHBondContact O-SG 3.12Å; L296-C299 PolarHBondContact O-N 3.48Å; C299-F303 WeakPolarHBondContact O-CB 3.39Å; C299-F303 PolarHBondContact O-N 3.41Å
300I95.5Very high91.8Very high47 Ų4728 Ų2824%0.24114%0.142CC..Hα-helixtrans-61.9-46.8176.6-69.9167.5000110.8I278 L296 H297 F303 I304I278-I300 HydrophobicContact CD1-CG1 4.02Å; I278-I300 HydrophobicContact CG1-CG1 4.04Å; I278-I300 HydrophobicContact CG2-CG1 4.36Å; L296-I300 HydrophobicContact CD1-CD1 3.96Å; L296-I300 HydrophobicContact CD1-CG1 4.32Å; L296-I300 HydrophobicContact CG-CD1 3.95Å; L296-I300 VanDerWaalsContact O-CG1 3.31Å; L296-I300 WeakPolarHBondContact O-CG1 3.42Å; L296-I300 PolarHBondContact O-N 3.32Å; H297-I300 PolarHBondContact O-N 2.83Å; I300-F303 PolarHBondContact O-N 3.29Å; I300-I304 HydrophobicContact CG2-CD1 3.83Å; I300-I304 WeakPolarHBondContact O-CG1 3.45Å; I300-I304 PolarHBondContact O-N 2.89Å
301S95.6Very high91.9Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-65.4-43.5-179.260.70000111.9H297 L298 A305 S336H297-S301 PolarHBondContact O-N 3.39Å; H297-S301 PolarHBondContact O-OG 3.38Å; L298-S301 PolarHBondContact O-N 2.98Å; L298-S301 PolarHBondContact O-OG 3.35Å; S301-A305 VanDerWaalsContact O-CB 3.32Å; S301-A305 WeakPolarHBondContact O-CB 3.39Å; S301-A305 PolarHBondContact O-N 2.79Å; S301-S336 VanDerWaalsContact CB-OG 3.31Å; S301-S336 WeakPolarHBondContact CB-OG 3.27Å; S301-S336 WeakPolarHBondContact OG-CA 3.45Å; S301-S336 PolarHBondContact OG-OG 3.47Å
302L93.6Very high91.8Very high6 Ų626.3 Ų26.33%0.03115%0.147CC..Hα-helixtrans-66.7-38.3176.3-74.8172.4000112.5L274 L298 A305 T306 S336 M340 L489L274-L302 HydrophobicContact CD1-CB 4.05Å; L274-L302 HydrophobicContact CD2-CB 4.34Å; L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.26Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.24Å; L298-L302 WeakPolarHBondContact O-CG 3.42Å; L298-L302 PolarHBondContact O-N 2.93Å; L302-A305 PolarHBondContact O-N 3.49Å; L302-T306 VanDerWaalsContact O-CB 3.27Å; L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 2.98Å; L302-T306 PolarHBondContact O-OG1 2.94Å; L302-S336 PolarHBondContact N-OG 2.77Å; L302-M340 HydrophobicContact CD1-CE 4.28Å; L302-M340 HydrophobicContact CD2-CE 4.43Å; L302-L489 HydrophobicContact CD1-CD1 3.48Å; L302-L489 VanDerWaalsContact CD1-CD1 3.48Å
303F95.9Very high91.5Very high50 Ų5026.8 Ų26.822%0.21915%0.149CC..Hα-helixtrans-61.3-49.7176.7179.2-93.5000111.2L271 L274 F275 I278 C299 I300 T306 L307L271-F303 HydrophobicContact CB-CE2 4.49Å; L271-F303 HydrophobicContact CD2-CD2 3.62Å; L271-F303 HydrophobicContact CD2-CE2 3.76Å; L271-F303 HydrophobicContact CD2-CG 4.27Å; L271-F303 HydrophobicContact CD2-CZ 4.5Å; L274-F303 HydrophobicContact CB-CB 4.31Å; L274-F303 HydrophobicContact CB-CD2 4.13Å; L274-F303 HydrophobicContact CD1-CB 4.5Å; F275-F303 HydrophobicContact CB-CE2 4.05Å; I278-F303 HydrophobicContact CD1-CB 3.87Å; I278-F303 HydrophobicContact CD1-CD2 4.49Å; I278-F303 HydrophobicContact CD1-CG 4.08Å; C299-F303 WeakPolarHBondContact O-CB 3.39Å; C299-F303 PolarHBondContact O-N 3.41Å; I300-F303 PolarHBondContact O-N 3.29Å; F303-T306 PolarHBondContact O-N 3.38Å; F303-L307 HydrophobicContact CE1-CD2 4.36Å; F303-L307 VanDerWaalsContact O-CB 3.32Å; F303-L307 WeakPolarHBondContact O-CB 3.28Å; F303-L307 PolarHBondContact O-N 2.86Å
304I95.6Very high91.1Very high48 Ų4829 Ų2925%0.24617%0.166CC..Hα-helixtrans-65.3-44.6178.7-60.7166.5000110.5I300 T306 L307 V308 F332I300-I304 HydrophobicContact CG2-CD1 3.83Å; I300-I304 WeakPolarHBondContact O-CG1 3.45Å; I300-I304 PolarHBondContact O-N 2.89Å; I304-T306 VanDerWaalsContact C-N 3.31Å; I304-T306 PolarHBondContact O-N 3.34Å; I304-L307 PolarHBondContact O-N 3.47Å; I304-V308 HydrophobicContact CG2-CG2 4.1Å; I304-V308 WeakPolarHBondContact O-CB 3.19Å; I304-V308 WeakPolarHBondContact O-CG2 3.48Å; I304-V308 PolarHBondContact O-N 3.45Å; I304-F332 HydrophobicContact CB-CD1 4.12Å; I304-F332 HydrophobicContact CB-CD2 4.28Å; I304-F332 HydrophobicContact CB-CE1 4.1Å; I304-F332 HydrophobicContact CB-CE2 4.29Å; I304-F332 HydrophobicContact CB-CG 4.23Å; I304-F332 HydrophobicContact CB-CZ 4.2Å; I304-F332 HydrophobicContact CD1-CD1 4.35Å; I304-F332 HydrophobicContact CD1-CE1 3.63Å; I304-F332 HydrophobicContact CD1-CZ 3.86Å; I304-F332 HydrophobicContact CG1-CE1 4.48Å; I304-F332 HydrophobicContact CG2-CD1 4.2Å; I304-F332 HydrophobicContact CG2-CD2 3.56Å; I304-F332 HydrophobicContact CG2-CE1 4Å; I304-F332 HydrophobicContact CG2-CE2 3.35Å; I304-F332 HydrophobicContact CG2-CG 4.02Å; I304-F332 HydrophobicContact CG2-CZ 3.58Å
305A93.4Very high90.5Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-56.3-46.7176.500000111.7S301 L302 V308 F309 L329 F332 Y333S301-A305 VanDerWaalsContact O-CB 3.32Å; S301-A305 WeakPolarHBondContact O-CB 3.39Å; S301-A305 PolarHBondContact O-N 2.79Å; L302-A305 PolarHBondContact O-N 3.49Å; A305-V308 PolarHBondContact O-N 3.2Å; A305-F309 VanDerWaalsContact O-CB 3.27Å; A305-F309 WeakPolarHBondContact O-CB 3.18Å; A305-F309 PolarHBondContact O-N 3.31Å; A305-L329 VanDerWaalsContact O-CD2 3.23Å; A305-L329 WeakPolarHBondContact O-CD2 3.14Å; A305-F332 HydrophobicContact CB-CB 3.8Å; A305-Y333 HydrophobicContact CB-CD1 4.08Å; A305-Y333 HydrophobicContact CB-CD2 4.32Å; A305-Y333 HydrophobicContact CB-CE1 3.93Å; A305-Y333 HydrophobicContact CB-CE2 4.22Å; A305-Y333 HydrophobicContact CB-CG 4.27Å
306T91.6Very high90Very high8 Ų836.9 Ų36.95%0.04921%0.206CC..Hα-helixtrans-68.9-40-177.5-55.10000111.6L267 L271 L302 F303 I304 F309 L310L267-T306 HydrophobicContact CB-CG2 4.03Å; L267-T306 HydrophobicContact CD2-CG2 3.87Å; L267-T306 HydrophobicContact CG-CG2 4.46Å; L271-T306 HydrophobicContact CD1-CG2 4.15Å; L271-T306 HydrophobicContact CD2-CG2 3.83Å; L271-T306 HydrophobicContact CG-CG2 3.69Å; L302-T306 VanDerWaalsContact O-CB 3.27Å; L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 2.98Å; L302-T306 PolarHBondContact O-OG1 2.94Å; F303-T306 PolarHBondContact O-N 3.38Å; I304-T306 VanDerWaalsContact C-N 3.31Å; I304-T306 PolarHBondContact O-N 3.34Å; T306-F309 PolarHBondContact O-N 2.96Å; T306-L310 WeakPolarHBondContact O-CB 3.49Å; T306-L310 PolarHBondContact O-N 3.34Å
307L93.1Very high89.3Confident84 Ų8444.5 Ų44.544%0.4424%0.241SC..Hα-helixtrans-63.6-46.7176.3-176.369000111.4L271 F303 I304 F309 L310 A311L271-L307 HydrophobicContact CD2-CB 4.31Å; F303-L307 HydrophobicContact CE1-CD2 4.36Å; F303-L307 VanDerWaalsContact O-CB 3.32Å; F303-L307 WeakPolarHBondContact O-CB 3.28Å; F303-L307 PolarHBondContact O-N 2.86Å; I304-L307 PolarHBondContact O-N 3.47Å; L307-F309 VanDerWaalsContact C-N 3.3Å; L307-F309 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 3.4Å; L307-A311 VanDerWaalsContact O-CB 3.31Å; L307-A311 WeakPolarHBondContact O-CB 3.15Å; L307-A311 PolarHBondContact O-N 3.26Å
308V93.2Very high88.7Confident19 Ų1947.7 Ų47.712%0.11526%0.259CS..Hα-helixtrans-64.4-37.6176.8175.30000110.7I304 A305 G312 V325 M328 L329I304-V308 HydrophobicContact CG2-CG2 4.1Å; I304-V308 WeakPolarHBondContact O-CB 3.19Å; I304-V308 WeakPolarHBondContact O-CG2 3.48Å; I304-V308 PolarHBondContact O-N 3.45Å; A305-V308 PolarHBondContact O-N 3.2Å; V308-G312 VanDerWaalsContact O-CA 3.28Å; V308-G312 WeakPolarHBondContact O-CA 3.36Å; V308-G312 PolarHBondContact O-N 2.87Å; V308-V325 HydrophobicContact CG1-CG1 3.92Å; V308-M328 HydrophobicContact CG1-CB 4.22Å; V308-M328 HydrophobicContact CG2-CE 3.81Å; V308-M328 HydrophobicContact CG2-SD 4.46Å; V308-L329 HydrophobicContact CB-CD2 3.83Å; V308-L329 HydrophobicContact CB-CG 4.4Å; V308-L329 HydrophobicContact CG1-CD1 4.37Å; V308-L329 HydrophobicContact CG1-CD2 3.67Å; V308-L329 HydrophobicContact CG1-CG 3.69Å
309F89.4Confident88.2Confident65 Ų6556.4 Ų56.429%0.28530%0.297SS..Hα-helixtrans-63.5-49.8177.6-180-91.6000110.3L267 A305 T306 L307 A311 I313 L329L267-F309 HydrophobicContact CD1-CD1 3.78Å; L267-F309 HydrophobicContact CD1-CE1 3.69Å; A305-F309 VanDerWaalsContact O-CB 3.27Å; A305-F309 WeakPolarHBondContact O-CB 3.18Å; A305-F309 PolarHBondContact O-N 3.31Å; T306-F309 PolarHBondContact O-N 2.96Å; L307-F309 VanDerWaalsContact C-N 3.3Å; L307-F309 PolarHBondContact O-N 3.34Å; F309-A311 PolarHBondContact O-N 3.25Å; F309-I313 HydrophobicContact CD2-CB 4.43Å; F309-I313 HydrophobicContact CD2-CD1 4.24Å; F309-I313 HydrophobicContact CD2-CG1 4.33Å; F309-I313 HydrophobicContact CE2-CD1 4.19Å; F309-I313 HydrophobicContact CE2-CG1 4.08Å; F309-I313 VanDerWaalsContact O-CB 3.24Å; F309-I313 WeakPolarHBondContact O-CB 3.17Å; F309-I313 WeakPolarHBondContact O-CG2 3.31Å; F309-I313 PolarHBondContact O-N 3.01Å; F309-L329 HydrophobicContact CB-CD2 3.91Å
310L87.7Confident87.8Confident31 Ų3161.3 Ų61.316%0.16233%0.326CS..Hα-helixtrans-65.7-40.7-177.7-159.369.2000112.7W264 L271 T306 L307W264-L310 HydrophobicContact CD2-CD1 3.52Å; W264-L310 HydrophobicContact CD2-CG 4.43Å; W264-L310 HydrophobicContact CE3-CD1 3.52Å; W264-L310 HydrophobicContact CE3-CD2 4.25Å; W264-L310 HydrophobicContact CE3-CG 4.04Å; W264-L310 HydrophobicContact CG-CD1 4.2Å; W264-L310 HydrophobicContact CH2-CD1 3.71Å; W264-L310 HydrophobicContact CH2-CD2 4.31Å; W264-L310 HydrophobicContact CH2-CG 3.59Å; W264-L310 HydrophobicContact CZ2-CD1 3.7Å; W264-L310 HydrophobicContact CZ2-CG 4.01Å; W264-L310 HydrophobicContact CZ3-CD1 3.61Å; W264-L310 HydrophobicContact CZ3-CD2 3.86Å; W264-L310 HydrophobicContact CZ3-CG 3.6Å; L271-L310 HydrophobicContact CD1-CD2 4.08Å; T306-L310 WeakPolarHBondContact O-CB 3.49Å; T306-L310 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 3.4Å
311A87.6Confident87.3Confident71 Ų7160.4 Ų60.459%0.58733%0.329SS*.Hα-helixtrans-84.8-30-177.100000113.8L307 F309L307-A311 VanDerWaalsContact O-CB 3.31Å; L307-A311 WeakPolarHBondContact O-CB 3.15Å; L307-A311 PolarHBondContact O-N 3.26Å; F309-A311 PolarHBondContact O-N 3.25Å
312G82.6Confident87Confident7 Ų760.8 Ų60.87%0.07233%0.331CS..Hα-helixtrans-114.7-21.6-162.400000116.3V308 S314 Q315V308-G312 VanDerWaalsContact O-CA 3.28Å; V308-G312 WeakPolarHBondContact O-CA 3.36Å; V308-G312 PolarHBondContact O-N 2.87Å; G312-S314 PolarHBondContact O-N 3.17Å; G312-S314 VanDerWaalsContact O-N 3.16Å; G312-Q315 PolarHBondContact O-N 2.95Å; G312-Q315 VanDerWaalsContact O-N 3.15Å
313I81.3Confident86.7Confident26 Ų2661.9 Ų61.913%0.13334%0.342CS..THydrogen-bonded Turntrans-61.5-31.9-169.3-163.266.1000113.5F309 L329 Y392 C393 W394F309-I313 HydrophobicContact CD2-CB 4.43Å; F309-I313 HydrophobicContact CD2-CD1 4.24Å; F309-I313 HydrophobicContact CD2-CG1 4.33Å; F309-I313 HydrophobicContact CE2-CD1 4.19Å; F309-I313 HydrophobicContact CE2-CG1 4.08Å; F309-I313 VanDerWaalsContact O-CB 3.24Å; F309-I313 WeakPolarHBondContact O-CB 3.17Å; F309-I313 WeakPolarHBondContact O-CG2 3.31Å; F309-I313 PolarHBondContact O-N 3.01Å; I313-L329 HydrophobicContact CD1-CD1 4.14Å; I313-Y392 HydrophobicContact CG1-CD1 4.41Å; I313-Y392 WeakPolarHBondContact O-CA 3.45Å; I313-C393 PolarHBondContact O-N 3.41Å; I313-W394 HydrophobicContact CD1-CB 4.31Å; I313-W394 HydrophobicContact CD1-CE3 4.38Å
314S79.4Confident86.5Confident82 Ų8263.5 Ų63.557%0.57336%0.356SS*.THydrogen-bonded Turntrans-94.7-2.7-177.2-52.90000114.2G312 T316G312-S314 PolarHBondContact O-N 3.17Å; G312-S314 VanDerWaalsContact O-N 3.16Å; S314-T316 VanDerWaalsContact C-N 3.33Å; S314-T316 PolarHBondContact O-N 3.4Å
315Q78.9Confident86.3Confident118 Ų11862.4 Ų62.455%0.55135%0.351SS*.  trans-86.965-173.1-65.9-69.34.800112.3G312 Q317 C393G312-Q315 PolarHBondContact O-N 2.95Å; G312-Q315 VanDerWaalsContact O-N 3.15Å; Q315-Q317 PolarHBondContact O-N 3.44Å; Q315-C393 PolarHBondContact O-SG 3.25Å; Q315-C393 VanDerWaalsContact O-SG 3.34Å
316T80.1Confident86.2Confident51 Ų5162.4 Ų62.431%0.31335%0.351SS..THydrogen-bonded Turntrans-84.4-4.3-173.157.80000115.2S314 N318S314-T316 VanDerWaalsContact C-N 3.33Å; S314-T316 PolarHBondContact O-N 3.4Å; T316-N318 PolarHBondContact O-N 2.99Å
317Q77.6Confident86.2Confident186 Ų18662.8 Ų62.887%0.86936%0.357SS*.THydrogen-bonded Turntrans-64.8-37.3-175-64.1-173.98.400113.1Q315Q315-Q317 PolarHBondContact O-N 3.44Å
318N82.9Confident86.3Confident100 Ų10062.3 Ų62.354%0.53535%0.353SS..  trans-102.8109.8177.4-177.2-12.7000110.1T316 V320 G321 C322T316-N318 PolarHBondContact O-N 2.99Å; N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.01Å; N318-V320 PolarHBondContact OD1-N 3.44Å; N318-G321 PolarHBondContact O-N 2.98Å; N318-G321 PolarHBondContact OD1-N 3.05Å; N318-C322 VanDerWaalsContact O-CB 3.29Å; N318-C322 WeakPolarHBondContact O-CB 3.49Å; N318-C322 PolarHBondContact O-N 3.13Å
319K82.9Confident86.2Confident183 Ų18361.4 Ų61.480%0.79635%0.347SS*.Hα-helixtrans-56.2-41.6-179.6-67.7-174.5178.6-179.70113.2A323K319-A323 PolarHBondContact O-N 3.32Å
320V85.8Confident86.4Confident105 Ų10558.3 Ų58.364%0.63633%0.334SS*.Hα-helixtrans-70.4-44.2179.7179.80000110.4N318 C322 A323 V324N318-V320 VanDerWaalsContact C-N 3.31Å; N318-V320 PolarHBondContact O-N 3.01Å; N318-V320 PolarHBondContact OD1-N 3.44Å; V320-C322 VanDerWaalsContact C-N 3.3Å; V320-C322 PolarHBondContact O-N 2.8Å; V320-A323 PolarHBondContact O-N 3.29Å; V320-V324 WeakPolarHBondContact O-CG2 3.5Å; V320-V324 PolarHBondContact O-N 3.41Å
321G86Confident86.8Confident29 Ų2959 Ų5930%0.29934%0.336SS..Hα-helixtrans-59.6-42.3175.800000112.3N318 V324 V325N318-G321 PolarHBondContact O-N 2.98Å; N318-G321 PolarHBondContact OD1-N 3.05Å; G321-V324 PolarHBondContact O-N 2.98Å; G321-V325 WeakPolarHBondContact O-CG2 3.47Å; G321-V325 PolarHBondContact O-N 2.89Å
322C87.7Confident87.2Confident7 Ų757 Ų575%0.04731%0.314CS..Hα-helixtrans-64.3-40.7177.9-163.30000112.5N318 V320 V325 A326 C393N318-C322 VanDerWaalsContact O-CB 3.29Å; N318-C322 WeakPolarHBondContact O-CB 3.49Å; N318-C322 PolarHBondContact O-N 3.13Å; V320-C322 VanDerWaalsContact C-N 3.3Å; V320-C322 PolarHBondContact O-N 2.8Å; C322-V325 PolarHBondContact O-N 3.21Å; C322-A326 WeakPolarHBondContact O-CB 3.32Å; C322-A326 PolarHBondContact O-N 2.82Å; C322-C393 WeakPolarHBondContact CA-SG 3.31Å; C322-C393 HydrophobicContact CB-CB 4.03Å; C322-C393 WeakPolarHBondContact CB-SG 3.32Å; C322-C393 WeakPolarHBondContact SG-CA 3.4Å; C322-C393 WeakPolarHBondContact SG-CB 3.28Å; C322-C393 CovalentContact SG-SG 2.04Å; C322-C393 PolarHBondContact SG-SG 3.07Å
323A88.3Confident87.7Confident30 Ų3057.8 Ų57.825%0.24832%0.315CS..Hα-helixtrans-65.5-39.817500000112.2K319 V320 A326 G327 Y387K319-A323 PolarHBondContact O-N 3.32Å; V320-A323 PolarHBondContact O-N 3.29Å; A323-A326 PolarHBondContact O-N 3.44Å; A323-G327 PolarHBondContact O-N 3.21Å; A323-Y387 WeakPolarHBondContact CA-O 3.27Å; A323-Y387 WeakPolarHBondContact CB-O 3.04Å
324V91Very high88.3Confident84 Ų8456.5 Ų56.551%0.50931%0.308SS..Hα-helixtrans-64.1-45.9175172.20000111V320 G321 A326 G327 M328V320-V324 WeakPolarHBondContact O-CG2 3.5Å; V320-V324 PolarHBondContact O-N 3.41Å; G321-V324 PolarHBondContact O-N 2.98Å; V324-A326 PolarHBondContact O-N 3.06Å; V324-G327 PolarHBondContact O-N 3.07Å; V324-M328 HydrophobicContact CG1-CG 4.4Å; V324-M328 HydrophobicContact CG1-SD 4.22Å; V324-M328 WeakPolarHBondContact O-CG 3.39Å; V324-M328 PolarHBondContact O-N 2.73Å
325V91.8Very high89.1Confident25 Ų2552.6 Ų52.615%0.15228%0.281CS..Hα-helixtrans-58.1-49175.4167.80000110.6V308 G321 C322 G327 M328 L329 C393V308-V325 HydrophobicContact CG1-CG1 3.92Å; G321-V325 WeakPolarHBondContact O-CG2 3.47Å; G321-V325 PolarHBondContact O-N 2.89Å; C322-V325 PolarHBondContact O-N 3.21Å; V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 PolarHBondContact O-N 3.37Å; V325-M328 PolarHBondContact O-N 3.46Å; V325-L329 HydrophobicContact CG1-CD1 3.91Å; V325-L329 HydrophobicContact CG1-CG 4.45Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.33Å; V325-L329 PolarHBondContact O-N 3.42Å; V325-C393 HydrophobicContact CB-CB 4.16Å; V325-C393 HydrophobicContact CG1-CB 3.88Å
326A90.6Very high89.8Confident0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-59.7-41.5177.500000111.9C322 A323 V324 L329 H330 Y387C322-A326 WeakPolarHBondContact O-CB 3.32Å; C322-A326 PolarHBondContact O-N 2.82Å; A323-A326 PolarHBondContact O-N 3.44Å; V324-A326 PolarHBondContact O-N 3.06Å; A326-L329 PolarHBondContact O-N 3.41Å; A326-H330 VanDerWaalsContact O-CB 3.3Å; A326-H330 WeakPolarHBondContact O-CB 3.16Å; A326-H330 PolarHBondContact O-N 2.98Å; A326-Y387 HydrophobicContact CB-CD1 3.94Å
327G92.4Very high90.4Very high16 Ų1644.7 Ų44.717%0.16524%0.241CC..Hα-helixtrans-63.4-45.9175.600000113.4A323 V324 V325 H330 F331A323-G327 PolarHBondContact O-N 3.21Å; V324-G327 PolarHBondContact O-N 3.07Å; V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 PolarHBondContact O-N 3.37Å; G327-H330 PolarHBondContact O-N 2.87Å; G327-F331 WeakPolarHBondContact O-CB 3.27Å; G327-F331 PolarHBondContact O-N 2.96Å
328M94.1Very high91.1Very high73 Ų7336.3 Ų36.336%0.3620%0.202SC..Hα-helixtrans-60.7-46.7176-73.9-177.375.600111V308 V324 V325 F331 F332V308-M328 HydrophobicContact CG1-CB 4.22Å; V308-M328 HydrophobicContact CG2-CE 3.81Å; V308-M328 HydrophobicContact CG2-SD 4.46Å; V324-M328 HydrophobicContact CG1-CG 4.4Å; V324-M328 HydrophobicContact CG1-SD 4.22Å; V324-M328 WeakPolarHBondContact O-CG 3.39Å; V324-M328 PolarHBondContact O-N 2.73Å; V325-M328 PolarHBondContact O-N 3.46Å; M328-F331 PolarHBondContact O-N 3.06Å; M328-F332 HydrophobicContact CB-CD2 4.32Å; M328-F332 HydrophobicContact CB-CE2 4.43Å; M328-F332 HydrophobicContact CE-CE2 3.94Å; M328-F332 WeakPolarHBondContact O-CD2 3.35Å; M328-F332 PolarHBondContact O-N 2.89Å
329L92.9Very high91.7Very high0 Ų031.6 Ų31.60%018%0.177CC..Hα-helixtrans-63.4-46.1179-67.6170.1000112A305 V308 F309 I313 V325 A326 F331 F332 Y333 W394A305-L329 VanDerWaalsContact O-CD2 3.23Å; A305-L329 WeakPolarHBondContact O-CD2 3.14Å; V308-L329 HydrophobicContact CB-CD2 3.83Å; V308-L329 HydrophobicContact CB-CG 4.4Å; V308-L329 HydrophobicContact CG1-CD1 4.37Å; V308-L329 HydrophobicContact CG1-CD2 3.67Å; V308-L329 HydrophobicContact CG1-CG 3.69Å; F309-L329 HydrophobicContact CB-CD2 3.91Å; I313-L329 HydrophobicContact CD1-CD1 4.14Å; V325-L329 HydrophobicContact CG1-CD1 3.91Å; V325-L329 HydrophobicContact CG1-CG 4.45Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.33Å; V325-L329 PolarHBondContact O-N 3.42Å; A326-L329 PolarHBondContact O-N 3.41Å; L329-F331 VanDerWaalsContact C-N 3.28Å; L329-F331 PolarHBondContact O-N 3.04Å; L329-F332 PolarHBondContact O-N 2.78Å; L329-Y333 HydrophobicContact CB-CD2 4.25Å; L329-Y333 HydrophobicContact CB-CE2 4.37Å; L329-Y333 HydrophobicContact CD2-CD2 4.48Å; L329-Y333 HydrophobicContact CD2-CE2 3.93Å; L329-Y333 WeakPolarHBondContact O-CB 3.42Å; L329-Y333 VanDerWaalsContact O-CD2 3.25Å; L329-Y333 WeakPolarHBondContact O-CD2 3.08Å; L329-Y333 PolarHBondContact O-N 3.03Å; L329-W394 HydrophobicContact CB-CE3 3.95Å; L329-W394 HydrophobicContact CB-CH2 4.05Å; L329-W394 HydrophobicContact CB-CZ3 3.29Å; L329-W394 HydrophobicContact CD1-CE3 3.68Å; L329-W394 HydrophobicContact CD1-CZ3 3.69Å; L329-W394 HydrophobicContact CG-CE3 4.43Å; L329-W394 HydrophobicContact CG-CZ3 4Å
330H93.7Very high92.1Very high0 Ų022.9 Ų22.90%014%0.139CC..Hα-helixtrans-54.2-47.4175.8-174.9-169.2000110.8A326 G327 L334 V376 Y387 L395 S402 F403A326-H330 VanDerWaalsContact O-CB 3.3Å; A326-H330 WeakPolarHBondContact O-CB 3.16Å; A326-H330 PolarHBondContact O-N 2.98Å; G327-H330 PolarHBondContact O-N 2.87Å; H330-L334 WeakPolarHBondContact O-CB 3.38Å; H330-L334 PolarHBondContact O-N 2.94Å; H330-V376 HydrophobicContact CB-CG2 4.35Å; H330-Y387 HydrophobicContact CB-CE1 4.27Å; H330-Y387 AromaticContact ND1-CE1 3.77Å; H330-Y387 AromaticContact ND1-CZ 3.73Å; H330-Y387 PolarHBondContact ND1-OH 3.37Å; H330-L395 HydrophobicContact CB-CD1 4.23Å; H330-S402 PolarHBondContact CE1-OG 3.36Å; H330-S402 VanDerWaalsContact CE1-OG 3.27Å; H330-F403 AromaticContact CD2-CD2 3.76Å
331F95.9Very high92.3Very high46 Ų4618.9 Ų18.920%0.20212%0.116CC..Hα-helixtrans-64.2-53.1178.2176.6-102.5000113.3G327 M328 L329 L334 A335 Y369 P372 A373 V376G327-F331 WeakPolarHBondContact O-CB 3.27Å; G327-F331 PolarHBondContact O-N 2.96Å; M328-F331 PolarHBondContact O-N 3.06Å; L329-F331 VanDerWaalsContact C-N 3.28Å; L329-F331 PolarHBondContact O-N 3.04Å; F331-L334 PolarHBondContact O-N 3.41Å; F331-A335 VanDerWaalsContact O-CB 3.29Å; F331-A335 WeakPolarHBondContact O-CB 3.21Å; F331-A335 PolarHBondContact O-N 3.38Å; F331-Y369 HydrophobicContact CE1-CD1 4.28Å; F331-Y369 AromaticContact CZ-CD1 3.88Å; F331-Y369 HydrophobicContact CZ-CD1 3.88Å; F331-P372 HydrophobicContact CD2-CB 3.83Å; F331-P372 HydrophobicContact CE2-CB 3.89Å; F331-A373 HydrophobicContact CE2-CB 3.96Å; F331-V376 HydrophobicContact CB-CG2 4.04Å; F331-V376 HydrophobicContact CD2-CG2 4.49Å
332F96Very high92.5Very high30 Ų3018.3 Ų18.313%0.13211%0.106CC..Hα-helixtrans-72.1-34.3-172.1-75.9-67.4000113.3I304 A305 M328 L329 S336I304-F332 HydrophobicContact CB-CD1 4.12Å; I304-F332 HydrophobicContact CB-CD2 4.28Å; I304-F332 HydrophobicContact CB-CE1 4.1Å; I304-F332 HydrophobicContact CB-CE2 4.29Å; I304-F332 HydrophobicContact CB-CG 4.23Å; I304-F332 HydrophobicContact CB-CZ 4.2Å; I304-F332 HydrophobicContact CD1-CD1 4.35Å; I304-F332 HydrophobicContact CD1-CE1 3.63Å; I304-F332 HydrophobicContact CD1-CZ 3.86Å; I304-F332 HydrophobicContact CG1-CE1 4.48Å; I304-F332 HydrophobicContact CG2-CD1 4.2Å; I304-F332 HydrophobicContact CG2-CD2 3.56Å; I304-F332 HydrophobicContact CG2-CE1 4Å; I304-F332 HydrophobicContact CG2-CE2 3.35Å; I304-F332 HydrophobicContact CG2-CG 4.02Å; I304-F332 HydrophobicContact CG2-CZ 3.58Å; A305-F332 HydrophobicContact CB-CB 3.8Å; M328-F332 HydrophobicContact CB-CD2 4.32Å; M328-F332 HydrophobicContact CB-CE2 4.43Å; M328-F332 HydrophobicContact CE-CE2 3.94Å; M328-F332 WeakPolarHBondContact O-CD2 3.35Å; M328-F332 PolarHBondContact O-N 2.89Å; L329-F332 PolarHBondContact O-N 2.78Å; F332-S336 WeakPolarHBondContact O-CB 3.25Å; F332-S336 PolarHBondContact O-N 3.44Å; F332-S336 PolarHBondContact O-OG 3.44Å
333Y93.1Very high92.5Very high22 Ų2218.1 Ų18.19%0.08610%0.104CC..Hα-helixtrans-66.3-46.6172-79.1-61.3000111A305 L329 A335 S336 F337 W394 W460A305-Y333 HydrophobicContact CB-CD1 4.08Å; A305-Y333 HydrophobicContact CB-CD2 4.32Å; A305-Y333 HydrophobicContact CB-CE1 3.93Å; A305-Y333 HydrophobicContact CB-CE2 4.22Å; A305-Y333 HydrophobicContact CB-CG 4.27Å; L329-Y333 HydrophobicContact CB-CD2 4.25Å; L329-Y333 HydrophobicContact CB-CE2 4.37Å; L329-Y333 HydrophobicContact CD2-CD2 4.48Å; L329-Y333 HydrophobicContact CD2-CE2 3.93Å; L329-Y333 WeakPolarHBondContact O-CB 3.42Å; L329-Y333 VanDerWaalsContact O-CD2 3.25Å; L329-Y333 WeakPolarHBondContact O-CD2 3.08Å; L329-Y333 PolarHBondContact O-N 3.03Å; Y333-A335 VanDerWaalsContact C-N 3.33Å; Y333-A335 PolarHBondContact O-N 2.71Å; Y333-S336 WeakPolarHBondContact O-CA 3.39Å; Y333-S336 VanDerWaalsContact O-CB 3.31Å; Y333-S336 WeakPolarHBondContact O-CB 2.84Å; Y333-S336 PolarHBondContact O-N 2.91Å; Y333-F337 WeakPolarHBondContact O-CD2 3.35Å; Y333-F337 PolarHBondContact O-N 3.47Å; Y333-F337 VanDerWaalsContact O-N 3.07Å; Y333-W394 AromaticContact CD2-CH2 3.68Å; Y333-W394 HydrophobicContact CD2-CH2 3.68Å; Y333-W394 HydrophobicContact CD2-CZ3 4.02Å; Y333-W394 HydrophobicContact CE2-CH2 4.03Å; Y333-W394 AromaticContact CE2-CZ3 4Å; Y333-W394 HydrophobicContact CE2-CZ3 4Å; Y333-W460 AromaticContact CD1-CH2 3.66Å; Y333-W460 HydrophobicContact CD1-CH2 3.66Å; Y333-W460 AromaticContact CD1-CZ2 3.83Å; Y333-W460 HydrophobicContact CD1-CZ2 3.83Å; Y333-W460 AromaticContact CE1-CH2 3.7Å; Y333-W460 HydrophobicContact CE1-CH2 3.7Å; Y333-W460 AromaticContact CE1-CZ2 3.87Å; Y333-W460 HydrophobicContact CE1-CZ2 3.87Å; Y333-W460 HydrophobicContact CG-CH2 4.26Å
334L93.4Very high92.4Very high0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-63.1-39.3178.1-173.558.8000112.1H330 F331 S336 F337 C338 P372 I375 P406 V407 I410H330-L334 WeakPolarHBondContact O-CB 3.38Å; H330-L334 PolarHBondContact O-N 2.94Å; F331-L334 PolarHBondContact O-N 3.41Å; L334-S336 VanDerWaalsContact C-N 3.31Å; L334-S336 PolarHBondContact O-N 3.32Å; L334-F337 PolarHBondContact O-N 2.93Å; L334-C338 PolarHBondContact O-N 2.86Å; L334-C338 PolarHBondContact O-SG 3.22Å; L334-P372 HydrophobicContact CB-CB 4.08Å; L334-P372 HydrophobicContact CB-CG 4.49Å; L334-P372 HydrophobicContact CD2-CB 4.03Å; L334-P372 HydrophobicContact CG-CB 3.9Å; L334-P372 HydrophobicContact CG-CG 4.16Å; L334-I375 HydrophobicContact CD2-CB 3.83Å; L334-I375 HydrophobicContact CD2-CD1 3.81Å; L334-I375 HydrophobicContact CD2-CG1 4.42Å; L334-I375 HydrophobicContact CD2-CG2 3.73Å; L334-P406 HydrophobicContact CD1-CB 4Å; L334-V407 HydrophobicContact CD1-CG2 4.34Å; L334-I410 HydrophobicContact CD1-CD1 4.39Å
335A95.7Very high92.2Very high0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-60.3-40.8171.600000112.2F331 Y333 F337 C338 W339 Y369 P372F331-A335 VanDerWaalsContact O-CB 3.29Å; F331-A335 WeakPolarHBondContact O-CB 3.21Å; F331-A335 PolarHBondContact O-N 3.38Å; Y333-A335 VanDerWaalsContact C-N 3.33Å; Y333-A335 PolarHBondContact O-N 2.71Å; A335-F337 VanDerWaalsContact C-N 3.32Å; A335-F337 PolarHBondContact O-N 2.85Å; A335-C338 PolarHBondContact O-N 3.27Å; A335-W339 PolarHBondContact O-N 2.66Å; A335-Y369 HydrophobicContact CB-CD1 3.99Å; A335-Y369 HydrophobicContact CB-CE1 4.18Å; A335-P372 VanDerWaalsContact CA-CG 3.41Å; A335-P372 HydrophobicContact CB-CB 4.29Å; A335-P372 HydrophobicContact CB-CG 3.85Å
336S93.6Very high91.8Very high1 Ų114.6 Ų14.61%0.0078%0.077CC..Hα-helixtrans-60.1-42.5175.6-55.90000111.2L298 S301 L302 F332 Y333 L334 W339 M340L298-S336 WeakPolarHBondContact CD1-O 3.35Å; S301-S336 VanDerWaalsContact CB-OG 3.31Å; S301-S336 WeakPolarHBondContact CB-OG 3.27Å; S301-S336 WeakPolarHBondContact OG-CA 3.45Å; S301-S336 PolarHBondContact OG-OG 3.47Å; L302-S336 PolarHBondContact N-OG 2.77Å; F332-S336 WeakPolarHBondContact O-CB 3.25Å; F332-S336 PolarHBondContact O-N 3.44Å; F332-S336 PolarHBondContact O-OG 3.44Å; Y333-S336 WeakPolarHBondContact O-CA 3.39Å; Y333-S336 VanDerWaalsContact O-CB 3.31Å; Y333-S336 WeakPolarHBondContact O-CB 2.84Å; Y333-S336 PolarHBondContact O-N 2.91Å; L334-S336 VanDerWaalsContact C-N 3.31Å; L334-S336 PolarHBondContact O-N 3.32Å; S336-W339 PolarHBondContact O-N 3.1Å; S336-M340 VanDerWaalsContact O-CG 3.28Å; S336-M340 WeakPolarHBondContact O-CG 3.31Å; S336-M340 PolarHBondContact O-N 3.4Å
337F92Very high91.3Very high2 Ų216.2 Ų16.21%0.0099%0.085CC..Hα-helixtrans-64.1-41.8173.9-75.6-73.7000113.2Y333 L334 A335 W339 M340 C341 F403 V407 I410 I411 W460Y333-F337 WeakPolarHBondContact O-CD2 3.35Å; Y333-F337 PolarHBondContact O-N 3.47Å; Y333-F337 VanDerWaalsContact O-N 3.07Å; L334-F337 PolarHBondContact O-N 2.93Å; A335-F337 VanDerWaalsContact C-N 3.32Å; A335-F337 PolarHBondContact O-N 2.85Å; F337-W339 VanDerWaalsContact C-N 3.31Å; F337-W339 PolarHBondContact O-N 2.68Å; F337-M340 HydrophobicContact CD1-SD 4.18Å; F337-M340 PolarHBondContact O-N 3.03Å; F337-C341 PolarHBondContact O-N 3.32Å; F337-F403 HydrophobicContact CE2-CE2 4.36Å; F337-F403 AromaticContact CE2-CZ 3.94Å; F337-F403 HydrophobicContact CE2-CZ 3.94Å; F337-V407 HydrophobicContact CD1-CG1 4.16Å; F337-V407 HydrophobicContact CD2-CG1 4.31Å; F337-V407 HydrophobicContact CD2-CG2 3.54Å; F337-V407 HydrophobicContact CE1-CG1 3.66Å; F337-V407 HydrophobicContact CE2-CB 4.37Å; F337-V407 HydrophobicContact CE2-CG1 3.84Å; F337-V407 HydrophobicContact CE2-CG2 3.55Å; F337-V407 HydrophobicContact CG-CG1 4.44Å; F337-V407 HydrophobicContact CG-CG2 4.07Å; F337-V407 HydrophobicContact CZ-CB 4.43Å; F337-V407 HydrophobicContact CZ-CG1 3.45Å; F337-V407 VanDerWaalsContact CZ-CG1 3.45Å; F337-V407 HydrophobicContact CZ-CG2 4.08Å; F337-I410 HydrophobicContact CB-CD1 4.02Å; F337-I410 HydrophobicContact CB-CG2 4.16Å; F337-I411 HydrophobicContact CD1-CG1 4.49Å; F337-I411 HydrophobicContact CE1-CD1 4.09Å; F337-I411 HydrophobicContact CE1-CG1 4.21Å; F337-W460 HydrophobicContact CE1-CB 4.12Å; F337-W460 AromaticContact CE1-CD1 3.84Å; F337-W460 HydrophobicContact CE1-CD2 4.37Å; F337-W460 AromaticContact CE1-CG 3.87Å; F337-W460 HydrophobicContact CE1-CG 3.87Å; F337-W460 HydrophobicContact CE2-CD2 4.12Å; F337-W460 HydrophobicContact CE2-CE3 4.32Å; F337-W460 HydrophobicContact CE2-CG 4.46Å; F337-W460 HydrophobicContact CZ-CB 3.8Å; F337-W460 AromaticContact CZ-CD1 3.62Å; F337-W460 AromaticContact CZ-CD2 3.43Å; F337-W460 HydrophobicContact CZ-CD2 3.43Å; F337-W460 VanDerWaalsContact CZ-CD2 3.43Å; F337-W460 AromaticContact CZ-CE2 3.75Å; F337-W460 AromaticContact CZ-CE3 3.94Å; F337-W460 HydrophobicContact CZ-CE3 3.94Å; F337-W460 AromaticContact CZ-CG 3.36Å; F337-W460 HydrophobicContact CZ-CG 3.36Å; F337-W460 AromaticContact CZ-NE1 3.85Å
338C94.1Very high90.8Very high10 Ų1017.7 Ų17.77%0.0689%0.087CC..Hα-helixtrans-61.3-40.1174.7-68.20000111.6L334 A335 C341 L342 P372L334-C338 PolarHBondContact O-N 2.86Å; L334-C338 PolarHBondContact O-SG 3.22Å; A335-C338 PolarHBondContact O-N 3.27Å; C338-C341 WeakPolarHBondContact O-CB 3.31Å; C338-C341 PolarHBondContact O-N 2.87Å; C338-L342 WeakPolarHBondContact O-CG 3.46Å; C338-L342 PolarHBondContact O-N 3.44Å; C338-P372 HydrophobicContact CB-CG 4.3Å
339W94.1Very high90.1Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-67.6-39.1174.2-74.8114.9000113I294 H297 L298 A335 S336 F337 C341 L342 E343 M364 M365 Y369I294-W339 HydrophobicContact CB-CE3 4.38Å; I294-W339 HydrophobicContact CG1-CE3 4.26Å; I294-W339 HydrophobicContact CG1-CZ3 4.15Å; I294-W339 HydrophobicContact CG2-CE3 4.13Å; H297-W339 HydrophobicContact CB-CD2 3.73Å; H297-W339 VanDerWaalsContact CB-CE2 3.41Å; H297-W339 HydrophobicContact CB-CE3 4.11Å; H297-W339 HydrophobicContact CB-CG 4.3Å; H297-W339 HydrophobicContact CB-CH2 3.93Å; H297-W339 HydrophobicContact CB-CZ2 3.54Å; H297-W339 HydrophobicContact CB-CZ3 4.2Å; H297-W339 AromaticContact CG-CH2 4Å; H297-W339 AromaticContact CG-CZ2 3.71Å; L298-W339 HydrophobicContact CB-CB 4.03Å; L298-W339 HydrophobicContact CD1-CB 4.14Å; A335-W339 PolarHBondContact O-N 2.66Å; S336-W339 PolarHBondContact O-N 3.1Å; F337-W339 VanDerWaalsContact C-N 3.31Å; F337-W339 PolarHBondContact O-N 2.68Å; W339-C341 PolarHBondContact O-N 3.43Å; W339-L342 HydrophobicContact CD2-CD1 4.35Å; W339-L342 HydrophobicContact CE3-CB 4.44Å; W339-L342 HydrophobicContact CE3-CD1 3.68Å; W339-L342 HydrophobicContact CH2-CD1 4.46Å; W339-L342 HydrophobicContact CZ3-CD1 3.76Å; W339-L342 PolarHBondContact O-N 3.49Å; W339-E343 PolarHBondContact O-N 2.97Å; W339-M364 HydrophobicContact CH2-CB 4.16Å; W339-M364 HydrophobicContact CZ3-CB 4.1Å; W339-M364 HydrophobicContact CZ3-CE 4.2Å; W339-M365 HydrophobicContact CH2-SD 4.06Å; W339-M365 HydrophobicContact CZ2-SD 4.1Å; W339-Y369 AromaticContact CE2-CE2 3.94Å; W339-Y369 AromaticContact CZ2-CD2 3.86Å; W339-Y369 HydrophobicContact CZ2-CD2 3.86Å; W339-Y369 AromaticContact CZ2-CE2 3.56Å; W339-Y369 HydrophobicContact CZ2-CE2 3.56Å; W339-Y369 AromaticContact NE1-CE1 3.6Å; W339-Y369 AromaticContact NE1-CE2 3.7Å; W339-Y369 AromaticContact NE1-CZ 3.42Å
340M91.3Very high89.3Confident1 Ų122.9 Ų22.91%0.00511%0.11CC..Hα-helixtrans-60.4-36.1170.8-68.5169.7-157.600111.5L298 L302 S336 F337 E343 G344L298-M340 HydrophobicContact CD1-CE 3.79Å; L298-M340 HydrophobicContact CD1-CG 3.77Å; L298-M340 HydrophobicContact CD2-CG 4.19Å; L302-M340 HydrophobicContact CD1-CE 4.28Å; L302-M340 HydrophobicContact CD2-CE 4.43Å; S336-M340 VanDerWaalsContact O-CG 3.28Å; S336-M340 WeakPolarHBondContact O-CG 3.31Å; S336-M340 PolarHBondContact O-N 3.4Å; F337-M340 HydrophobicContact CD1-SD 4.18Å; F337-M340 PolarHBondContact O-N 3.03Å; M340-E343 WeakPolarHBondContact O-CB 3.27Å; M340-E343 PolarHBondContact O-N 3.25Å; M340-G344 PolarHBondContact O-N 3.27Å
341C90.4Very high88.3Confident21 Ų2123.8 Ų23.814%0.14212%0.115CC..Hα-helixtrans-66.9-46174.8-172.20000113.1F337 C338 W339 E343 G344 I345 I410 N414F337-C341 PolarHBondContact O-N 3.32Å; C338-C341 WeakPolarHBondContact O-CB 3.31Å; C338-C341 PolarHBondContact O-N 2.87Å; W339-C341 PolarHBondContact O-N 3.43Å; C341-E343 PolarHBondContact O-N 2.98Å; C341-G344 PolarHBondContact O-N 3.18Å; C341-G344 VanDerWaalsContact O-N 3.13Å; C341-I345 WeakPolarHBondContact O-CG1 3.45Å; C341-I345 PolarHBondContact O-N 3.49Å; C341-I410 HydrophobicContact CB-CG2 3.86Å; C341-N414 WeakPolarHBondContact CA-OD1 3.36Å; C341-N414 WeakPolarHBondContact CB-OD1 3.41Å
342L90.4Very high87.2Confident17 Ų1724.7 Ų24.79%0.08912%0.122CC..Hα-helixtrans-61-34.6173.6-68.2174.2000111.8I294 C338 W339 Q346 F359 M364I294-L342 HydrophobicContact CD1-CB 4.35Å; C338-L342 WeakPolarHBondContact O-CG 3.46Å; C338-L342 PolarHBondContact O-N 3.44Å; W339-L342 HydrophobicContact CD2-CD1 4.35Å; W339-L342 HydrophobicContact CE3-CB 4.44Å; W339-L342 HydrophobicContact CE3-CD1 3.68Å; W339-L342 HydrophobicContact CH2-CD1 4.46Å; W339-L342 HydrophobicContact CZ3-CD1 3.76Å; W339-L342 PolarHBondContact O-N 3.49Å; L342-Q346 WeakPolarHBondContact O-CB 3.4Å; L342-Q346 PolarHBondContact O-N 3.05Å; L342-F359 HydrophobicContact CD2-CE1 4.13Å; L342-F359 HydrophobicContact CD2-CZ 4.22Å; L342-M364 HydrophobicContact CD1-CB 4.49Å; L342-M364 WeakPolarHBondContact CD1-O 3.23Å
343E87.7Confident85.8Confident2 Ų227.6 Ų27.61%0.00914%0.138CC..Hα-helixtrans-61.8-49.4171.6-172.9-178.6164.700111.6I294 H295 W339 M340 C341 I345 Q346 L347 Q452 H493I294-E343 HydrophobicContact CG2-CB 3.82Å; H295-E343 VanDerWaalsContact CE1-CD 3.43Å; H295-E343 IonicContact CE1-OE1 3.22Å; H295-E343 PolarHBondContact CE1-OE1 2.9Å; H295-E343 VanDerWaalsContact CE1-OE1 3.22Å; H295-E343 IonicContact CE1-OE2 3.82Å; H295-E343 IonicContact ND1-OE1 3.82Å; H295-E343 IonicContact ND1-OE2 3.64Å; W339-E343 PolarHBondContact O-N 2.97Å; M340-E343 WeakPolarHBondContact O-CB 3.27Å; M340-E343 PolarHBondContact O-N 3.25Å; C341-E343 PolarHBondContact O-N 2.98Å; E343-I345 PolarHBondContact O-N 3.48Å; E343-Q346 PolarHBondContact O-N 3.45Å; E343-L347 HydrophobicContact CG-CD1 4.26Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 3.15Å; E343-Q452 PolarHBondContact OE1-NE2 3.35Å; E343-H493 IonicContact OE1-CE1 3.6Å; E343-H493 IonicContact OE1-NE2 3.77Å
344G86.2Confident84.2Confident3 Ų332 Ų323%0.03117%0.167CC..Hα-helixtrans-57.2-45.5176.300000112.8M340 C341 L347 F348M340-G344 PolarHBondContact O-N 3.27Å; C341-G344 PolarHBondContact O-N 3.18Å; C341-G344 VanDerWaalsContact O-N 3.13Å; G344-L347 PolarHBondContact O-N 3.44Å; G344-F348 WeakPolarHBondContact O-CB 3.28Å; G344-F348 PolarHBondContact O-N 3.07Å
345I86Confident82.2Confident45 Ų4540.4 Ų40.423%0.23120%0.204CC..Hα-helixtrans-63.5-42.9176-66.4166000111C341 E343 F348 R349 F417C341-I345 WeakPolarHBondContact O-CG1 3.45Å; C341-I345 PolarHBondContact O-N 3.49Å; E343-I345 PolarHBondContact O-N 3.48Å; I345-F348 PolarHBondContact O-N 3.37Å; I345-R349 HydrophobicContact CG2-CG 4.46Å; I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 3.29Å; I345-F417 HydrophobicContact CD1-CE2 4.31Å; I345-F417 HydrophobicContact CG1-CD2 3.95Å; I345-F417 HydrophobicContact CG1-CE2 3.56Å; I345-F417 HydrophobicContact CG1-CZ 4.11Å
346Q83.6Confident80.1Confident18 Ų1845.4 Ų45.48%0.08423%0.231CC..Hα-helixtrans-64.7-41.7179.4-179.863.317.300111.6R291 I294 L342 E343 R349 M350R291-Q346 HydrophobicContact CB-CG 4.38Å; I294-Q346 HydrophobicContact CD1-CB 3.71Å; I294-Q346 HydrophobicContact CD1-CG 3.96Å; L342-Q346 WeakPolarHBondContact O-CB 3.4Å; L342-Q346 PolarHBondContact O-N 3.05Å; E343-Q346 PolarHBondContact O-N 3.45Å; Q346-R349 PolarHBondContact O-N 3.35Å; Q346-M350 WeakPolarHBondContact O-CB 3.25Å; Q346-M350 PolarHBondContact O-N 3.07Å
347L79.9Confident78.2Confident33 Ų3349.2 Ų49.217%0.17325%0.254CS..Hα-helixtrans-62-46.2174.7-72.1173.6000111.3E343 G344 R349 M350 V351 T421 Q452E343-L347 HydrophobicContact CG-CD1 4.26Å; E343-L347 WeakPolarHBondContact O-CG 3.37Å; E343-L347 PolarHBondContact O-N 3.15Å; G344-L347 PolarHBondContact O-N 3.44Å; L347-R349 PolarHBondContact O-N 3.01Å; L347-M350 PolarHBondContact O-N 3.29Å; L347-V351 WeakPolarHBondContact O-CG2 3.41Å; L347-V351 PolarHBondContact O-N 3.44Å; L347-T421 HydrophobicContact CB-CG2 4.47Å; L347-Q452 HydrophobicContact CD1-CG 4.38Å
348F82.1Confident76.7Confident48 Ų4855.7 Ų55.721%0.21129%0.289CS..Hα-helixtrans-58.5-48.5176.4171.2-102.3000112.2G344 I345 M350 V351 I352 F417 V420 T421G344-F348 WeakPolarHBondContact O-CB 3.28Å; G344-F348 PolarHBondContact O-N 3.07Å; I345-F348 PolarHBondContact O-N 3.37Å; F348-M350 PolarHBondContact O-N 3.26Å; F348-V351 PolarHBondContact O-N 2.96Å; F348-I352 HydrophobicContact CD2-CG1 4.14Å; F348-I352 HydrophobicContact CE2-CB 4.45Å; F348-I352 HydrophobicContact CE2-CG1 3.76Å; F348-I352 HydrophobicContact CZ-CB 4.44Å; F348-I352 HydrophobicContact CZ-CG1 4.2Å; F348-I352 HydrophobicContact CZ-CG2 4.49Å; F348-I352 PolarHBondContact O-N 2.95Å; F348-I352 VanDerWaalsContact O-N 3.07Å; F348-F417 HydrophobicContact CB-CB 4.43Å; F348-F417 HydrophobicContact CB-CD1 3.99Å; F348-F417 HydrophobicContact CB-CG 4.47Å; F348-F417 HydrophobicContact CD1-CD1 4.07Å; F348-F417 HydrophobicContact CD1-CE1 4.08Å; F348-F417 HydrophobicContact CD2-CD1 4.12Å; F348-F417 HydrophobicContact CE1-CE1 4.4Å; F348-F417 AromaticContact CG-CD1 3.78Å; F348-F417 HydrophobicContact CG-CD1 3.78Å; F348-F417 HydrophobicContact CG-CE1 4.27Å; F348-V420 HydrophobicContact CD2-CG1 4.05Å; F348-V420 HydrophobicContact CE2-CB 4.48Å; F348-V420 HydrophobicContact CE2-CG1 3.66Å; F348-T421 WeakPolarHBondContact CA-OG1 3.39Å
349R79.4Confident75.3Confident52 Ų5257.5 Ų57.520%0.19630%0.295CS..Hα-helixtrans-61.5-42.7178.5-74-178.566.8-152.6-0.4112.1I345 Q346 L347 V351 I352 L353 N356 F359I345-R349 HydrophobicContact CG2-CG 4.46Å; I345-R349 WeakPolarHBondContact O-CG 3.47Å; I345-R349 PolarHBondContact O-N 3.29Å; Q346-R349 PolarHBondContact O-N 3.35Å; L347-R349 PolarHBondContact O-N 3.01Å; R349-V351 VanDerWaalsContact C-N 3.26Å; R349-V351 PolarHBondContact O-N 3.07Å; R349-I352 PolarHBondContact O-N 3.24Å; R349-L353 HydrophobicContact CG-CD1 4.47Å; R349-L353 CarbonylContact O-C 3.53Å; R349-L353 WeakPolarHBondContact O-CA 3.49Å; R349-L353 PolarHBondContact O-N 3.41Å; R349-N356 PolarHBondContact NH2-O 2.72Å; R349-F359 VanDerWaalsContact NH1-CG 3.28Å
350M75.9Confident74.6Confident130 Ų13064.1 Ų64.164%0.6432%0.324SS*.Hα-helixtrans-59.9-35.5178.2-176.9178.5172.400112.5Q346 L347 F348Q346-M350 WeakPolarHBondContact O-CB 3.25Å; Q346-M350 PolarHBondContact O-N 3.07Å; L347-M350 PolarHBondContact O-N 3.29Å; F348-M350 PolarHBondContact O-N 3.26Å
351V74.5Confident74Confident18 Ų1867.8 Ų67.811%0.10935%0.347CS..Hα-helixtrans-82.2-36.1-177.5172.80000112.9L347 F348 R349 T421 K424 L425 K428L347-V351 WeakPolarHBondContact O-CG2 3.41Å; L347-V351 PolarHBondContact O-N 3.44Å; F348-V351 PolarHBondContact O-N 2.96Å; R349-V351 VanDerWaalsContact C-N 3.26Å; R349-V351 PolarHBondContact O-N 3.07Å; V351-T421 HydrophobicContact CB-CG2 4.21Å; V351-T421 HydrophobicContact CG2-CG2 3.7Å; V351-K424 HydrophobicContact CG1-CB 3.83Å; V351-L425 HydrophobicContact CG1-CD2 4.39Å; V351-L425 HydrophobicContact CG1-CG 4.17Å; V351-L425 HydrophobicContact CG2-CD1 4.22Å; V351-L425 HydrophobicContact CG2-CD2 3.9Å; V351-L425 HydrophobicContact CG2-CG 3.93Å; V351-K428 PolarHBondContact O-NZ 3.38Å
352I72.3Confident73.7Confident66 Ų6671 Ų7134%0.33837%0.369SS..Hα-helixtrans-101-49.5-172.2-64.4-62.6000113.7F348 R349 V354 K424F348-I352 HydrophobicContact CD2-CG1 4.14Å; F348-I352 HydrophobicContact CE2-CB 4.45Å; F348-I352 HydrophobicContact CE2-CG1 3.76Å; F348-I352 HydrophobicContact CZ-CB 4.44Å; F348-I352 HydrophobicContact CZ-CG1 4.2Å; F348-I352 HydrophobicContact CZ-CG2 4.49Å; F348-I352 PolarHBondContact O-N 2.95Å; F348-I352 VanDerWaalsContact O-N 3.07Å; R349-I352 PolarHBondContact O-N 3.24Å; I352-V354 PolarHBondContact O-N 3.26Å; I352-K424 HydrophobicContact CD1-CB 3.95Å; I352-K424 HydrophobicContact CD1-CD 3.55Å; I352-K424 HydrophobicContact CD1-CG 3.47Å; I352-K424 VanDerWaalsContact CD1-CG 3.47Å
353L65.8Low73.5Confident91 Ų9177.4 Ų77.448%0.47639%0.393SS..SBendtrans-89.284.9-179.4-90.6118.6000109R349 F355R349-L353 HydrophobicContact CG-CD1 4.47Å; R349-L353 CarbonylContact O-C 3.53Å; R349-L353 WeakPolarHBondContact O-CA 3.49Å; R349-L353 PolarHBondContact O-N 3.41Å; L353-F355 PolarHBondContact O-N 2.88Å
354V60.1Low73.5Confident113 Ų11377.3 Ų77.369%0.68539%0.393SS*.THydrogen-bonded Turntrans-39.398.6174.4-1800000110.7I352 N356I352-V354 PolarHBondContact O-N 3.26Å; V354-N356 PolarHBondContact O-N 3.29Å; V354-N356 VanDerWaalsContact O-N 3.11Å
355F52Low73.6Confident177 Ų17780.1 Ų80.178%0.77641%0.406SS*.THydrogen-bonded Turntrans51.921.6169-62.2-78.6000120.8L353 T357L353-F355 PolarHBondContact O-N 2.88Å; F355-T357 VanDerWaalsContact C-N 3.32Å; F355-T357 PolarHBondContact O-N 3.13Å; F355-T357 VanDerWaalsContact O-N 3.11Å
356N50.1Low73.9Confident105 Ų10580.8 Ų80.856%0.56142%0.418SS*.  trans-86.476.8164-155.8-6.3000110.9R349 V354 N358R349-N356 PolarHBondContact NH2-O 2.72Å; V354-N356 PolarHBondContact O-N 3.29Å; V354-N356 VanDerWaalsContact O-N 3.11Å; N356-N358 PolarHBondContact O-N 2.91Å
357T54.5Low74.2Confident81 Ų8181 Ų8150%0.49743%0.425SS..  trans-89.514.6-167.552.40000114.9F355 F359F355-T357 VanDerWaalsContact C-N 3.32Å; F355-T357 PolarHBondContact O-N 3.13Å; F355-T357 VanDerWaalsContact O-N 3.11Å; T357-F359 PolarHBondContact O-N 3.39Å
358N59.4Low74.8Confident138 Ų13879.4 Ų79.474%0.73842%0.417SS*.  trans-76.468.9177-77.7-54.9000111.7N356 K360N356-N358 PolarHBondContact O-N 2.91Å; N358-K360 PolarHBondContact O-N 2.87Å
359F66.1Low75.4Confident48 Ų4879.6 Ų79.621%0.21142%0.417CS..  trans-86.3104.4163.9-151.2-137.7000108.2L342 R349 T357 T361 M364L342-F359 HydrophobicContact CD2-CE1 4.13Å; L342-F359 HydrophobicContact CD2-CZ 4.22Å; R349-F359 VanDerWaalsContact NH1-CG 3.28Å; T357-F359 PolarHBondContact O-N 3.39Å; F359-T361 PolarHBondContact O-N 3.36Å; F359-M364 HydrophobicContact CB-SD 4.46Å; F359-M364 HydrophobicContact CD1-CG 3.13Å; F359-M364 HydrophobicContact CD1-SD 3.54Å; F359-M364 VanDerWaalsContact CD1-SD 3.54Å; F359-M364 HydrophobicContact CE1-CB 4.38Å; F359-M364 HydrophobicContact CE1-CG 3.22Å; F359-M364 HydrophobicContact CE1-SD 4.22Å; F359-M364 HydrophobicContact CG-CG 4.14Å; F359-M364 HydrophobicContact CG-SD 4.36Å; F359-M364 HydrophobicContact CZ-CG 4.28Å
360K78.6Confident76.2Confident140 Ų14078.3 Ų78.361%0.60942%0.42SS*.  trans-61.9127.7-179.4-60.2-173.1-179.4179.90108.7N358 S362 Y363 M364N358-K360 PolarHBondContact O-N 2.87Å; K360-S362 PolarHBondContact O-N 3.2Å; K360-Y363 HydrophobicContact CB-CD2 3.81Å; K360-Y363 HydrophobicContact CB-CE2 4.31Å; K360-Y363 HydrophobicContact CD-CD2 4.31Å; K360-Y363 HydrophobicContact CD-CE2 3.95Å; K360-Y363 HydrophobicContact CG-CD2 4.28Å; K360-Y363 HydrophobicContact CG-CE2 4.36Å; K360-Y363 PolarHBondContact O-N 2.91Å; K360-M364 PolarHBondContact O-N 3.11Å
361T79.7Confident77Confident78 Ų7875.4 Ų75.448%0.47941%0.409SS..Hα-helixtrans-53-32.3177.6-490000112.2F359 Y363 M364 M365F359-T361 PolarHBondContact O-N 3.36Å; T361-Y363 PolarHBondContact O-N 3.39Å; T361-M364 WeakPolarHBondContact O-CB 3.45Å; T361-M364 PolarHBondContact O-N 3.27Å; T361-M365 HydrophobicContact CG2-CE 3.94Å; T361-M365 HydrophobicContact CG2-CG 4.29Å; T361-M365 VanDerWaalsContact O-CG 3.25Å; T361-M365 WeakPolarHBondContact O-CG 3.34Å; T361-M365 PolarHBondContact O-N 2.99Å
362S82.5Confident78Confident88 Ų8874.5 Ų74.562%0.61540%0.404SS*.Hα-helixtrans-58.7-43175.1175.60000113.4K360 M365 A366K360-S362 PolarHBondContact O-N 3.2Å; S362-M365 PolarHBondContact O-N 3.48Å; S362-A366 WeakPolarHBondContact O-CB 3.4Å; S362-A366 PolarHBondContact O-N 3.45Å
363Y86.7Confident79.1Confident151 Ų15173.5 Ų73.559%0.59241%0.405SS*.Hα-helixtrans-68.9-35.3177.1-69.4-56.5000112.1K360 T361 A366 G367K360-Y363 HydrophobicContact CB-CD2 3.81Å; K360-Y363 HydrophobicContact CB-CE2 4.31Å; K360-Y363 HydrophobicContact CD-CD2 4.31Å; K360-Y363 HydrophobicContact CD-CE2 3.95Å; K360-Y363 HydrophobicContact CG-CD2 4.28Å; K360-Y363 HydrophobicContact CG-CE2 4.36Å; K360-Y363 PolarHBondContact O-N 2.91Å; T361-Y363 PolarHBondContact O-N 3.39Å; Y363-A366 PolarHBondContact O-N 2.94Å; Y363-G367 PolarHBondContact O-N 2.91Å
364M87.9Confident80.5Confident0 Ų074.5 Ų74.50%041%0.41CS..Hα-helixtrans-63-46.2174.7-63.3166.159.900111.4T293 I294 W339 L342 F359 K360 T361 G367 G368T293-M364 HydrophobicContact CG2-CE 4.35Å; I294-M364 HydrophobicContact CD1-CE 3.88Å; I294-M364 HydrophobicContact CG1-CE 3.3Å; W339-M364 HydrophobicContact CH2-CB 4.16Å; W339-M364 HydrophobicContact CZ3-CB 4.1Å; W339-M364 HydrophobicContact CZ3-CE 4.2Å; L342-M364 HydrophobicContact CD1-CB 4.49Å; L342-M364 WeakPolarHBondContact CD1-O 3.23Å; F359-M364 HydrophobicContact CB-SD 4.46Å; F359-M364 HydrophobicContact CD1-CG 3.13Å; F359-M364 HydrophobicContact CD1-SD 3.54Å; F359-M364 VanDerWaalsContact CD1-SD 3.54Å; F359-M364 HydrophobicContact CE1-CB 4.38Å; F359-M364 HydrophobicContact CE1-CG 3.22Å; F359-M364 HydrophobicContact CE1-SD 4.22Å; F359-M364 HydrophobicContact CG-CG 4.14Å; F359-M364 HydrophobicContact CG-SD 4.36Å; F359-M364 HydrophobicContact CZ-CG 4.28Å; K360-M364 PolarHBondContact O-N 3.11Å; T361-M364 WeakPolarHBondContact O-CB 3.45Å; T361-M364 PolarHBondContact O-N 3.27Å; M364-G367 PolarHBondContact O-N 3.49Å; M364-G368 PolarHBondContact O-N 2.81Å
365M89.4Confident82.1Confident63 Ų6370.9 Ų70.931%0.3139%0.387SS..Hα-helixtrans-65.6-42.1178.9-66-66.9-176.600111.6H297 W339 T361 S362 Y369H297-M365 VanDerWaalsContact CE1-CE 3.5Å; H297-M365 WeakPolarHBondContact CE1-CE 3.13Å; H297-M365 WeakPolarHBondContact NE2-CE 3.35Å; W339-M365 HydrophobicContact CH2-SD 4.06Å; W339-M365 HydrophobicContact CZ2-SD 4.1Å; T361-M365 HydrophobicContact CG2-CE 3.94Å; T361-M365 HydrophobicContact CG2-CG 4.29Å; T361-M365 VanDerWaalsContact O-CG 3.25Å; T361-M365 WeakPolarHBondContact O-CG 3.34Å; T361-M365 PolarHBondContact O-N 2.99Å; S362-M365 PolarHBondContact O-N 3.48Å; M365-Y369 PolarHBondContact O-N 3.37Å; M365-Y369 HydrophobicContact SD-CD2 4.27Å; M365-Y369 HydrophobicContact SD-CE2 4.19Å
366A91.5Very high84.1Confident58 Ų5863.5 Ų63.548%0.47936%0.356SS..Iπ-helixtrans-61.9-43.5176.200000111.9S362 Y363 G370 V371S362-A366 WeakPolarHBondContact O-CB 3.4Å; S362-A366 PolarHBondContact O-N 3.45Å; Y363-A366 PolarHBondContact O-N 2.94Å; A366-G370 WeakPolarHBondContact O-CA 3.43Å; A366-G370 PolarHBondContact O-N 3.41Å; A366-V371 PolarHBondContact O-N 3.32Å
367G90.4Very high86.1Confident23 Ų2360.9 Ų60.924%0.23735%0.348CS..Iπ-helixtrans-69.8-45.8176.100000113.4Y363 M364Y363-G367 PolarHBondContact O-N 2.91Å; M364-G367 PolarHBondContact O-N 3.49Å
368G91.9Very high88Confident0 Ų060.8 Ų60.80%035%0.348CS..Iπ-helixtrans-71.9-38.6-172.500000114.6M364 P372M364-G368 PolarHBondContact O-N 2.81Å; G368-P372 WeakPolarHBondContact O-CG 3.08Å
369Y95.6Very high89.4Confident51 Ų5154.8 Ų54.820%0.232%0.316CS..Iπ-helixtrans-113.4-28.7-179.9-65.9-62.3000113.8H297 F331 A335 W339 M365 P372 A373H297-Y369 AromaticContact ND1-CE2 3.47Å; H297-Y369 WeakPolarHBondContact ND1-CE2 3.43Å; H297-Y369 AromaticContact ND1-CZ 3.67Å; H297-Y369 PolarHBondContact ND1-OH 2.78Å; F331-Y369 HydrophobicContact CE1-CD1 4.28Å; F331-Y369 AromaticContact CZ-CD1 3.88Å; F331-Y369 HydrophobicContact CZ-CD1 3.88Å; A335-Y369 HydrophobicContact CB-CD1 3.99Å; A335-Y369 HydrophobicContact CB-CE1 4.18Å; W339-Y369 AromaticContact CE2-CE2 3.94Å; W339-Y369 AromaticContact CZ2-CD2 3.86Å; W339-Y369 HydrophobicContact CZ2-CD2 3.86Å; W339-Y369 AromaticContact CZ2-CE2 3.56Å; W339-Y369 HydrophobicContact CZ2-CE2 3.56Å; W339-Y369 AromaticContact NE1-CE1 3.6Å; W339-Y369 AromaticContact NE1-CE2 3.7Å; W339-Y369 AromaticContact NE1-CZ 3.42Å; M365-Y369 PolarHBondContact O-N 3.37Å; M365-Y369 HydrophobicContact SD-CD2 4.27Å; M365-Y369 HydrophobicContact SD-CE2 4.19Å; Y369-P372 WeakPolarHBondContact O-CD 3.46Å; Y369-A373 VanDerWaalsContact O-CB 3.27Å; Y369-A373 WeakPolarHBondContact O-CB 3.26Å; Y369-A373 PolarHBondContact O-N 3.24Å; Y369-A373 VanDerWaalsContact O-N 3.08Å
370G94.7Very high90.5Very high26 Ų2654 Ų5427%0.26832%0.319SS..Iπ-helixtrans-68.9-45.2-178.500000113A366 A373 I374A366-G370 WeakPolarHBondContact O-CA 3.43Å; A366-G370 PolarHBondContact O-N 3.41Å; G370-A373 PolarHBondContact O-N 2.89Å; G370-I374 WeakPolarHBondContact O-CG1 3.23Å; G370-I374 PolarHBondContact O-N 2.81Å
371V93.7Very high91Very high68 Ų6853.3 Ų53.341%0.41232%0.321SS..Hα-helixtrans-59.8-50.5177.9173.80000111.8A366 A373 I374 I375A366-V371 PolarHBondContact O-N 3.32Å; V371-A373 VanDerWaalsContact C-N 3.33Å; V371-A373 PolarHBondContact O-N 3.02Å; V371-I374 PolarHBondContact O-N 3.49Å; V371-I375 HydrophobicContact CG1-CD1 3.89Å; V371-I375 WeakPolarHBondContact O-CG1 3.31Å; V371-I375 PolarHBondContact O-N 2.92Å; V371-I375 VanDerWaalsContact O-N 3.14Å
372P95.4Very high91.4Very high0 Ų055.1 Ų55.10%033%0.332CS..Hα-helixtrans-58.6-40.7173.3-21.628.2000113.7F331 L334 A335 C338 G368 Y369 I374 I375 V376F331-P372 HydrophobicContact CD2-CB 3.83Å; F331-P372 HydrophobicContact CE2-CB 3.89Å; L334-P372 HydrophobicContact CB-CB 4.08Å; L334-P372 HydrophobicContact CB-CG 4.49Å; L334-P372 HydrophobicContact CD2-CB 4.03Å; L334-P372 HydrophobicContact CG-CB 3.9Å; L334-P372 HydrophobicContact CG-CG 4.16Å; A335-P372 VanDerWaalsContact CA-CG 3.41Å; A335-P372 HydrophobicContact CB-CB 4.29Å; A335-P372 HydrophobicContact CB-CG 3.85Å; C338-P372 HydrophobicContact CB-CG 4.3Å; G368-P372 WeakPolarHBondContact O-CG 3.08Å; Y369-P372 WeakPolarHBondContact O-CD 3.46Å; P372-I374 VanDerWaalsContact C-N 3.34Å; P372-I374 PolarHBondContact O-N 2.84Å; P372-I375 PolarHBondContact O-N 3.46Å; P372-V376 WeakPolarHBondContact O-CB 3.43Å; P372-V376 VanDerWaalsContact O-CG2 3.27Å; P372-V376 WeakPolarHBondContact O-CG2 3.39Å; P372-V376 PolarHBondContact O-N 2.87Å
373A95.5Very high91.4Very high44 Ų4453.5 Ų53.536%0.36432%0.316SS..Hα-helixtrans-61.3-43.5-179.800000111.7F331 Y369 G370 V371 A377F331-A373 HydrophobicContact CE2-CB 3.96Å; Y369-A373 VanDerWaalsContact O-CB 3.27Å; Y369-A373 WeakPolarHBondContact O-CB 3.26Å; Y369-A373 PolarHBondContact O-N 3.24Å; Y369-A373 VanDerWaalsContact O-N 3.08Å; G370-A373 PolarHBondContact O-N 2.89Å; V371-A373 VanDerWaalsContact C-N 3.33Å; V371-A373 PolarHBondContact O-N 3.02Å; A373-A377 WeakPolarHBondContact O-CB 3.27Å; A373-A377 PolarHBondContact O-N 3.38Å
374I95.3Very high91Very high112 Ų11254.8 Ų54.857%0.57432%0.32SS*.Hα-helixtrans-63.2-47.5177.3-67.2166.5000110.4G370 V371 P372 V376 A377 V378G370-I374 WeakPolarHBondContact O-CG1 3.23Å; G370-I374 PolarHBondContact O-N 2.81Å; V371-I374 PolarHBondContact O-N 3.49Å; P372-I374 VanDerWaalsContact C-N 3.34Å; P372-I374 PolarHBondContact O-N 2.84Å; I374-V376 PolarHBondContact O-N 2.93Å; I374-A377 PolarHBondContact O-N 3.48Å; I374-V378 HydrophobicContact CG2-CG2 4.36Å; I374-V378 VanDerWaalsContact O-CG2 3.32Å; I374-V378 WeakPolarHBondContact O-CG2 3.15Å; I374-V378 PolarHBondContact O-N 3.02Å
375I93.6Very high90.5Very high38 Ų3862 Ų6220%0.19536%0.359CS..Hα-helixtrans-61.3-48-178.9-68.7166.3000110.8L334 V371 P372 A377 V378 T379 P406L334-I375 HydrophobicContact CD2-CB 3.83Å; L334-I375 HydrophobicContact CD2-CD1 3.81Å; L334-I375 HydrophobicContact CD2-CG1 4.42Å; L334-I375 HydrophobicContact CD2-CG2 3.73Å; V371-I375 HydrophobicContact CG1-CD1 3.89Å; V371-I375 WeakPolarHBondContact O-CG1 3.31Å; V371-I375 PolarHBondContact O-N 2.92Å; V371-I375 VanDerWaalsContact O-N 3.14Å; P372-I375 PolarHBondContact O-N 3.46Å; I375-A377 PolarHBondContact O-N 3.24Å; I375-V378 PolarHBondContact O-N 2.94Å; I375-T379 WeakPolarHBondContact O-CB 2.97Å; I375-T379 PolarHBondContact O-N 2.92Å; I375-T379 PolarHBondContact O-OG1 3.47Å; I375-P406 HydrophobicContact CD1-CB 4.12Å; I375-P406 HydrophobicContact CD1-CG 4.04Å
376V93.6Very high90Very high22 Ų2259.1 Ų59.113%0.13335%0.345CS..Hα-helixtrans-64.2-42.1179.1173.40000111H330 F331 P372 I374 T379 A380 Y387H330-V376 HydrophobicContact CB-CG2 4.35Å; F331-V376 HydrophobicContact CB-CG2 4.04Å; F331-V376 HydrophobicContact CD2-CG2 4.49Å; P372-V376 WeakPolarHBondContact O-CB 3.43Å; P372-V376 VanDerWaalsContact O-CG2 3.27Å; P372-V376 WeakPolarHBondContact O-CG2 3.39Å; P372-V376 PolarHBondContact O-N 2.87Å; I374-V376 PolarHBondContact O-N 2.93Å; V376-T379 PolarHBondContact O-N 3.32Å; V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.35Å; V376-A380 PolarHBondContact O-N 3.3Å; V376-Y387 PolarHBondContact O-OH 2.95Å
377A92.9Very high89.6Confident49 Ų4957.2 Ų57.241%0.40533%0.325SS..Hα-helixtrans-62.6-47.9177.800000112A373 I374 I375 T379 A380 L381A373-A377 WeakPolarHBondContact O-CB 3.27Å; A373-A377 PolarHBondContact O-N 3.38Å; I374-A377 PolarHBondContact O-N 3.48Å; I375-A377 PolarHBondContact O-N 3.24Å; A377-T379 VanDerWaalsContact C-N 3.35Å; A377-T379 PolarHBondContact O-N 3.44Å; A377-A380 PolarHBondContact O-N 3.46Å; A377-L381 VanDerWaalsContact O-CG 3.27Å; A377-L381 WeakPolarHBondContact O-CG 3.28Å; A377-L381 PolarHBondContact O-N 3.21Å
378V92.9Very high89Confident80 Ų8057 Ų5749%0.48532%0.323SS..Hα-helixtrans-60.7-45.9176.21720000110.4I374 I375 A380 L381 V382I374-V378 HydrophobicContact CG2-CG2 4.36Å; I374-V378 VanDerWaalsContact O-CG2 3.32Å; I374-V378 WeakPolarHBondContact O-CG2 3.15Å; I374-V378 PolarHBondContact O-N 3.02Å; I375-V378 PolarHBondContact O-N 2.94Å; V378-A380 VanDerWaalsContact C-N 3.33Å; V378-A380 PolarHBondContact O-N 3.22Å; V378-L381 PolarHBondContact O-N 3.49Å; V378-L381 VanDerWaalsContact O-N 3.11Å; V378-V382 HydrophobicContact CG1-CG2 4.38Å; V378-V382 WeakPolarHBondContact O-CG2 3.26Å; V378-V382 PolarHBondContact O-N 2.9Å
379T90.3Very high88.2Confident12 Ų1259.1 Ų59.17%0.07434%0.336CS..Hα-helixtrans-59.7-44.2178.4-54.60000111.4I375 V376 A377 L381 V382 N383 Y387 L399 S402I375-T379 WeakPolarHBondContact O-CB 2.97Å; I375-T379 PolarHBondContact O-N 2.92Å; I375-T379 PolarHBondContact O-OG1 3.47Å; V376-T379 PolarHBondContact O-N 3.32Å; A377-T379 VanDerWaalsContact C-N 3.35Å; A377-T379 PolarHBondContact O-N 3.44Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 3.35Å; T379-V382 PolarHBondContact O-N 3.43Å; T379-N383 PolarHBondContact O-N 2.85Å; T379-N383 VanDerWaalsContact O-N 3.12Å; T379-Y387 HydrophobicContact CG2-CE2 3.93Å; T379-L399 HydrophobicContact CG2-CD1 4.02Å; T379-L399 HydrophobicContact CG2-CD2 4.13Å; T379-L399 HydrophobicContact CG2-CG 4.5Å; T379-S402 WeakPolarHBondContact CG2-OG 3.26Å
380A89Confident87.1Confident32 Ų3266.8 Ų66.826%0.26437%0.371SS..Hα-helixtrans-70.5-22.8177.600000113.5V376 A377 V378 R384 Y387V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.35Å; V376-A380 PolarHBondContact O-N 3.3Å; A377-A380 PolarHBondContact O-N 3.46Å; V378-A380 VanDerWaalsContact C-N 3.33Å; V378-A380 PolarHBondContact O-N 3.22Å; A380-R384 WeakPolarHBondContact O-CG 3.48Å; A380-Y387 HydrophobicContact CB-CE2 3.96Å
381L88.5Confident85.6Confident124 Ų12473.4 Ų73.465%0.64939%0.392SS*.Hα-helixtrans-78.9-37.3173.4-73.6170.6000112.1A377 V378 T379A377-L381 VanDerWaalsContact O-CG 3.27Å; A377-L381 WeakPolarHBondContact O-CG 3.28Å; A377-L381 PolarHBondContact O-N 3.21Å; V378-L381 PolarHBondContact O-N 3.49Å; V378-L381 VanDerWaalsContact O-N 3.11Å; T379-L381 VanDerWaalsContact C-N 3.3Å; T379-L381 PolarHBondContact O-N 3.35Å
382V88Confident84.9Confident117 Ų11776.5 Ų76.571%0.70940%0.397SS*.Hα-helixtrans-72.9-45.4-178.3173.40000111.5V378 T379V378-V382 HydrophobicContact CG1-CG2 4.38Å; V378-V382 WeakPolarHBondContact O-CG2 3.26Å; V378-V382 PolarHBondContact O-N 2.9Å; T379-V382 PolarHBondContact O-N 3.43Å
383N82.6Confident84.3Confident54 Ų5476.5 Ų76.529%0.28940%0.397SS..  trans-149.699.3-178.8-173.7-6.4000111.4T379 D385 G386 L399T379-N383 PolarHBondContact O-N 2.85Å; T379-N383 VanDerWaalsContact O-N 3.12Å; N383-D385 PolarHBondContact OD1-N 3.3Å; N383-D385 VanDerWaalsContact OD1-N 3.13Å; N383-G386 PolarHBondContact OD1-N 3.33Å; N383-G386 VanDerWaalsContact OD1-N 3.14Å; N383-L399 HydrophobicContact CB-CD1 4.18Å; N383-L399 HydrophobicContact CB-CD2 4.16Å
384R79.2Confident83.9Confident177 Ų17776.7 Ų76.767%0.66839%0.389SS*.SBendtrans-71.4-32.5177.2-69.6-175.6179.5140.90.2112.8A380 G386 Y387A380-R384 WeakPolarHBondContact O-CG 3.48Å; R384-G386 PolarHBondContact O-N 2.86Å; R384-Y387 PolarHBondContact O-N 3.32Å
385D77.2Confident83.2Confident152 Ų15271.6 Ų71.681%0.81336%0.363SS*.THydrogen-bonded Turntrans-76.3-12.1-175.8-63.5-40.9000112.8N383 Y387N383-D385 PolarHBondContact OD1-N 3.3Å; N383-D385 VanDerWaalsContact OD1-N 3.13Å; D385-Y387 VanDerWaalsContact C-N 3.32Å
386G77.6Confident82.6Confident2 Ų272.6 Ų72.62%0.02137%0.368CS..THydrogen-bonded Turntrans-81.4-3.517500000115.1N383 R384 G388 N396N383-G386 PolarHBondContact OD1-N 3.33Å; N383-G386 VanDerWaalsContact OD1-N 3.14Å; R384-G386 PolarHBondContact O-N 2.86Å; G386-G388 PolarHBondContact O-N 3.01Å; G386-N396 PolarHBondContact O-N 3.45Å
387Y83.3Confident81.5Confident19 Ų1977 Ų778%0.07539%0.39CS..BIsolated β-bridgetrans-89.198.7172.6-81-90.2000110.8A323 A326 H330 V376 T379 A380 R384 D385 L395 L399A323-Y387 WeakPolarHBondContact CA-O 3.27Å; A323-Y387 WeakPolarHBondContact CB-O 3.04Å; A326-Y387 HydrophobicContact CB-CD1 3.94Å; H330-Y387 HydrophobicContact CB-CE1 4.27Å; H330-Y387 AromaticContact ND1-CE1 3.77Å; H330-Y387 AromaticContact ND1-CZ 3.73Å; H330-Y387 PolarHBondContact ND1-OH 3.37Å; V376-Y387 PolarHBondContact O-OH 2.95Å; T379-Y387 HydrophobicContact CG2-CE2 3.93Å; A380-Y387 HydrophobicContact CB-CE2 3.96Å; R384-Y387 PolarHBondContact O-N 3.32Å; D385-Y387 VanDerWaalsContact C-N 3.32Å; Y387-L395 HydrophobicContact CD1-CD2 4.02Å; Y387-L395 HydrophobicContact CE1-CD2 3.71Å; Y387-L399 HydrophobicContact CD2-CD1 4.4Å; Y387-L399 HydrophobicContact CE2-CD1 4.45Å
388G78.3Confident80.7Confident19 Ų1980.6 Ų80.620%0.19640%0.403CS..  trans112.7143.6-178.500000112.1G386 W394G386-G388 PolarHBondContact O-N 3.01Å; G388-W394 CarbonylContact C-O 3.55Å; G388-W394 WeakPolarHBondContact CA-O 3.26Å; G388-W394 PolarHBondContact N-O 2.99Å
389T75.6Confident80.2Confident44 Ų4477.7 Ų77.727%0.2738%0.384SS..  trans-120.7170173.970.60000110.3K391 Y392 N396T389-K391 PolarHBondContact O-N 3.2Å; T389-K391 PolarHBondContact OG1-N 3.03Å; T389-Y392 PolarHBondContact N-O 3.03Å; T389-Y392 PolarHBondContact OG1-N 2.89Å; T389-Y392 PolarHBondContact OG1-O 3.33Å; T389-N396 HydrophobicContact CG2-CB 4.46Å
390K70.9Confident79.7Confident212 Ų21277.9 Ų77.992%0.92239%0.385SS*.SBendtrans-63.9-21.4175.5-64.5-175-177.9179.50113.4
391K63.7Low79.5Confident164 Ų16485.3 Ų85.371%0.71341%0.406SS*.SBendtrans-106-36-174.8-67.4-172.6177.4-175.60113.5T389T389-K391 PolarHBondContact O-N 3.2Å; T389-K391 PolarHBondContact OG1-N 3.03Å
392Y79.3Confident79.5Confident133 Ų13380.7 Ų80.752%0.52238%0.384SS..SBendtrans-143.7151.6-176.7-53.9-76.1000112.1I313 T389 W394I313-Y392 HydrophobicContact CG1-CD1 4.41Å; I313-Y392 WeakPolarHBondContact O-CA 3.45Å; T389-Y392 PolarHBondContact N-O 3.03Å; T389-Y392 PolarHBondContact OG1-N 2.89Å; T389-Y392 PolarHBondContact OG1-O 3.33Å; Y392-W394 PolarHBondContact O-N 3.47Å
393C83.6Confident79.5Confident0 Ų075.2 Ų75.20%035%0.351CS..SBendtrans-81.667.3174.3-620000112.3I313 Q315 C322 V325I313-C393 PolarHBondContact O-N 3.41Å; Q315-C393 PolarHBondContact O-SG 3.25Å; Q315-C393 VanDerWaalsContact O-SG 3.34Å; C322-C393 WeakPolarHBondContact CA-SG 3.31Å; C322-C393 HydrophobicContact CB-CB 4.03Å; C322-C393 WeakPolarHBondContact CB-SG 3.32Å; C322-C393 WeakPolarHBondContact SG-CA 3.4Å; C322-C393 WeakPolarHBondContact SG-CB 3.28Å; C322-C393 CovalentContact SG-SG 2.04Å; C322-C393 PolarHBondContact SG-SG 3.07Å; V325-C393 HydrophobicContact CB-CB 4.16Å; V325-C393 HydrophobicContact CG1-CB 3.88Å
394W85.6Confident79.7Confident49 Ų4973.7 Ų73.719%0.18634%0.341CS..SBendtrans-136.8170178.8-166.5-104.5000112I313 L329 Y333 G388 Y392 F403I313-W394 HydrophobicContact CD1-CB 4.31Å; I313-W394 HydrophobicContact CD1-CE3 4.38Å; L329-W394 HydrophobicContact CB-CE3 3.95Å; L329-W394 HydrophobicContact CB-CH2 4.05Å; L329-W394 HydrophobicContact CB-CZ3 3.29Å; L329-W394 HydrophobicContact CD1-CE3 3.68Å; L329-W394 HydrophobicContact CD1-CZ3 3.69Å; L329-W394 HydrophobicContact CG-CE3 4.43Å; L329-W394 HydrophobicContact CG-CZ3 4Å; Y333-W394 AromaticContact CD2-CH2 3.68Å; Y333-W394 HydrophobicContact CD2-CH2 3.68Å; Y333-W394 HydrophobicContact CD2-CZ3 4.02Å; Y333-W394 HydrophobicContact CE2-CH2 4.03Å; Y333-W394 AromaticContact CE2-CZ3 4Å; Y333-W394 HydrophobicContact CE2-CZ3 4Å; G388-W394 CarbonylContact C-O 3.55Å; G388-W394 WeakPolarHBondContact CA-O 3.26Å; G388-W394 PolarHBondContact N-O 2.99Å; Y392-W394 PolarHBondContact O-N 3.47Å; W394-F403 HydrophobicContact CZ2-CD1 4.43Å; W394-F403 HydrophobicContact CZ2-CE1 4.44Å
395L82Confident80.1Confident5 Ų566.5 Ų66.53%0.02632%0.322CS..BIsolated β-bridgetrans-57.6137.6174-66.1157.6000111.4H330 Y387 L399 F403H330-L395 HydrophobicContact CB-CD1 4.23Å; Y387-L395 HydrophobicContact CD1-CD2 4.02Å; Y387-L395 HydrophobicContact CE1-CD2 3.71Å; L395-L399 HydrophobicContact CD2-CB 4.15Å; L395-F403 HydrophobicContact CD1-CB 3.84Å
396N79.7Confident80.7Confident58 Ų5860.8 Ų60.831%0.3129%0.293SS..  trans-69.6161.4170.6-17018.6000111.6G386 T389 D398 L399 I400G386-N396 PolarHBondContact O-N 3.45Å; T389-N396 HydrophobicContact CG2-CB 4.46Å; N396-D398 PolarHBondContact ND2-OD2 2.89Å; N396-D398 PolarHBondContact O-N 3.45Å; N396-L399 CarbonylContact O-C 3.45Å; N396-L399 PolarHBondContact O-N 3.43Å; N396-I400 PolarHBondContact O-N 3.13Å
397L72Confident81.3Confident114 Ų11460.8 Ų60.860%0.59729%0.293SS*.THydrogen-bonded Turntrans-55.2-34.5179.8-71171.1000113.1L399 I400 F467L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.49Å; L397-I400 VanDerWaalsContact O-CG2 3.24Å; L397-I400 WeakPolarHBondContact O-CG2 3.37Å; L397-I400 PolarHBondContact O-N 3.39Å; L397-F467 HydrophobicContact CD2-CD1 4.5Å
398D75.8Confident81.5Confident125 Ų12562.2 Ų62.267%0.66831%0.305SS*.THydrogen-bonded Turntrans-67.9-27.5178.7-55.4-41.3000112.9N396N396-D398 PolarHBondContact ND2-OD2 2.89Å; N396-D398 PolarHBondContact O-N 3.45Å
399L81.5Confident82Confident19 Ų1966 Ų6610%0.09932%0.324CS..THydrogen-bonded Turntrans-103.6-5.8179.4-68.4-172.6000113.3T379 N383 Y387 L395 N396 L397 W401 S402T379-L399 HydrophobicContact CG2-CD1 4.02Å; T379-L399 HydrophobicContact CG2-CD2 4.13Å; T379-L399 HydrophobicContact CG2-CG 4.5Å; N383-L399 HydrophobicContact CB-CD1 4.18Å; N383-L399 HydrophobicContact CB-CD2 4.16Å; Y387-L399 HydrophobicContact CD2-CD1 4.4Å; Y387-L399 HydrophobicContact CE2-CD1 4.45Å; L395-L399 HydrophobicContact CD2-CB 4.15Å; N396-L399 CarbonylContact O-C 3.45Å; N396-L399 PolarHBondContact O-N 3.43Å; L397-L399 VanDerWaalsContact C-N 3.27Å; L397-L399 PolarHBondContact O-N 3.49Å; L399-W401 PolarHBondContact O-N 3.29Å; L399-W401 VanDerWaalsContact O-N 3.12Å; L399-S402 WeakPolarHBondContact O-CB 3.36Å; L399-S402 PolarHBondContact O-N 2.92Å; L399-S402 PolarHBondContact O-OG 3.33Å
400I81.1Confident82.7Confident16 Ų1664.9 Ų64.98%0.08232%0.316CS..Hα-helixtrans-61.5-29.8-174.1-154.2131.9000112.2N396 L397 S402 F403 Y404 F467N396-I400 PolarHBondContact O-N 3.13Å; L397-I400 VanDerWaalsContact O-CG2 3.24Å; L397-I400 WeakPolarHBondContact O-CG2 3.37Å; L397-I400 PolarHBondContact O-N 3.39Å; I400-S402 VanDerWaalsContact C-N 3.28Å; I400-S402 PolarHBondContact O-N 2.82Å; I400-F403 PolarHBondContact O-N 3.11Å; I400-F403 VanDerWaalsContact O-N 3.13Å; I400-Y404 HydrophobicContact CD1-CE2 4.38Å; I400-Y404 HydrophobicContact CG1-CD2 3.68Å; I400-Y404 HydrophobicContact CG1-CE2 3.8Å; I400-Y404 PolarHBondContact O-N 2.96Å; I400-F467 HydrophobicContact CD1-CE1 3.81Å; I400-F467 HydrophobicContact CD1-CE2 4.5Å; I400-F467 HydrophobicContact CD1-CZ 3.55Å; I400-F467 HydrophobicContact CG1-CZ 4.18Å
401W84.9Confident83.5Confident189 Ų18955.1 Ų55.172%0.71627%0.274SS*.Hα-helixtrans-67.7-23176-77.5105.5000113.8L399 F403 G405L399-W401 PolarHBondContact O-N 3.29Å; L399-W401 VanDerWaalsContact O-N 3.12Å; W401-F403 PolarHBondContact O-N 3.22Å; W401-G405 WeakPolarHBondContact O-CA 3.39Å; W401-G405 PolarHBondContact O-N 3.31Å
402S87.7Confident84.6Confident27 Ų2752 Ų5219%0.18927%0.268CS..Hα-helixtrans-65.6-24172.878.30000112H330 T379 L399 I400 P406H330-S402 PolarHBondContact CE1-OG 3.36Å; H330-S402 VanDerWaalsContact CE1-OG 3.27Å; T379-S402 WeakPolarHBondContact CG2-OG 3.26Å; L399-S402 WeakPolarHBondContact O-CB 3.36Å; L399-S402 PolarHBondContact O-N 2.92Å; L399-S402 PolarHBondContact O-OG 3.33Å; I400-S402 VanDerWaalsContact C-N 3.28Å; I400-S402 PolarHBondContact O-N 2.82Å; S402-P406 VanDerWaalsContact O-CD 3.28Å; S402-P406 WeakPolarHBondContact O-CD 3.29Å; S402-P406 VanDerWaalsContact O-CG 3.31Å; S402-P406 WeakPolarHBondContact O-CG 3.39Å
403F88Confident85.1Confident1 Ų148.2 Ų48.20%0.00426%0.26CS..Hα-helixtrans-92.9-56.2174.2175.7-108.1000111.2H330 F337 W394 L395 I400 W401 G405 P406 V407 W460H330-F403 AromaticContact CD2-CD2 3.76Å; F337-F403 HydrophobicContact CE2-CE2 4.36Å; F337-F403 AromaticContact CE2-CZ 3.94Å; F337-F403 HydrophobicContact CE2-CZ 3.94Å; W394-F403 HydrophobicContact CZ2-CD1 4.43Å; W394-F403 HydrophobicContact CZ2-CE1 4.44Å; L395-F403 HydrophobicContact CD1-CB 3.84Å; I400-F403 PolarHBondContact O-N 3.11Å; I400-F403 VanDerWaalsContact O-N 3.13Å; W401-F403 PolarHBondContact O-N 3.22Å; F403-G405 PolarHBondContact O-N 3.26Å; F403-P406 WeakPolarHBondContact O-CD 3.12Å; F403-V407 HydrophobicContact CD2-CG2 4.2Å; F403-V407 HydrophobicContact CE1-CG2 4.32Å; F403-V407 HydrophobicContact CE2-CG2 3.95Å; F403-V407 HydrophobicContact CZ-CG2 4.03Å; F403-V407 WeakPolarHBondContact O-CB 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 3.42Å; F403-W460 HydrophobicContact CE1-CZ3 4.28Å; F403-W460 HydrophobicContact CZ-CZ3 4.19Å
404Y86.3Confident85.2Confident23 Ų2348.4 Ų48.49%0.0926%0.26CS..Hα-helixtrans-66.3-35.2-174.6-85.4-75.2000113.7I400 V407 C408 G463 C464 F467I400-Y404 HydrophobicContact CD1-CE2 4.38Å; I400-Y404 HydrophobicContact CG1-CD2 3.68Å; I400-Y404 HydrophobicContact CG1-CE2 3.8Å; I400-Y404 PolarHBondContact O-N 2.96Å; Y404-V407 PolarHBondContact O-N 2.98Å; Y404-C408 WeakPolarHBondContact O-CB 3.36Å; Y404-C408 PolarHBondContact O-N 2.89Å; Y404-C408 PolarHBondContact O-SG 3.09Å; Y404-G463 PolarHBondContact OH-O 2.8Å; Y404-G463 VanDerWaalsContact OH-O 3.13Å; Y404-C464 VanDerWaalsContact CD1-SG 3.53Å; Y404-F467 HydrophobicContact CD2-CE2 4.29Å; Y404-F467 AromaticContact CE2-CE2 3.48Å; Y404-F467 HydrophobicContact CE2-CE2 3.48Å; Y404-F467 VanDerWaalsContact CE2-CE2 3.48Å; Y404-F467 AromaticContact CE2-CZ 3.72Å; Y404-F467 HydrophobicContact CE2-CZ 3.72Å; Y404-F467 AromaticContact CZ-CE2 3.72Å
405G87.8Confident85.2Confident25 Ų2548.2 Ų48.226%0.25826%0.264SS..Hα-helixtrans-57-59.1178.300000112.3W401 F403 V407 C408 V409W401-G405 WeakPolarHBondContact O-CA 3.39Å; W401-G405 PolarHBondContact O-N 3.31Å; F403-G405 PolarHBondContact O-N 3.26Å; G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 3.05Å; G405-C408 PolarHBondContact O-N 3.06Å; G405-V409 PolarHBondContact O-N 3.34Å
406P90.4Very high85.5Confident33 Ų3354 Ų5421%0.21429%0.29CS..Hα-helixtrans-57.5-40174.5-28.436.6000113.8L334 I375 S402 F403 V409 I410L334-P406 HydrophobicContact CD1-CB 4Å; I375-P406 HydrophobicContact CD1-CB 4.12Å; I375-P406 HydrophobicContact CD1-CG 4.04Å; S402-P406 VanDerWaalsContact O-CD 3.28Å; S402-P406 WeakPolarHBondContact O-CD 3.29Å; S402-P406 VanDerWaalsContact O-CG 3.31Å; S402-P406 WeakPolarHBondContact O-CG 3.39Å; F403-P406 WeakPolarHBondContact O-CD 3.12Å; P406-V409 PolarHBondContact O-N 3.41Å; P406-I410 VanDerWaalsContact O-CG1 3.28Å; P406-I410 WeakPolarHBondContact O-CG1 3.37Å; P406-I410 PolarHBondContact O-N 3.47Å
407V89.3Confident85.6Confident1 Ų153 Ų531%0.00628%0.283CS..Hα-helixtrans-61.4-46.3178.9168.20000111.5L334 F337 F403 Y404 G405 V409 I410 I411L334-V407 HydrophobicContact CD1-CG2 4.34Å; F337-V407 HydrophobicContact CD1-CG1 4.16Å; F337-V407 HydrophobicContact CD2-CG1 4.31Å; F337-V407 HydrophobicContact CD2-CG2 3.54Å; F337-V407 HydrophobicContact CE1-CG1 3.66Å; F337-V407 HydrophobicContact CE2-CB 4.37Å; F337-V407 HydrophobicContact CE2-CG1 3.84Å; F337-V407 HydrophobicContact CE2-CG2 3.55Å; F337-V407 HydrophobicContact CG-CG1 4.44Å; F337-V407 HydrophobicContact CG-CG2 4.07Å; F337-V407 HydrophobicContact CZ-CB 4.43Å; F337-V407 HydrophobicContact CZ-CG1 3.45Å; F337-V407 VanDerWaalsContact CZ-CG1 3.45Å; F337-V407 HydrophobicContact CZ-CG2 4.08Å; F403-V407 HydrophobicContact CD2-CG2 4.2Å; F403-V407 HydrophobicContact CE1-CG2 4.32Å; F403-V407 HydrophobicContact CE2-CG2 3.95Å; F403-V407 HydrophobicContact CZ-CG2 4.03Å; F403-V407 WeakPolarHBondContact O-CB 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.34Å; F403-V407 PolarHBondContact O-N 3.42Å; Y404-V407 PolarHBondContact O-N 2.98Å; G405-V407 VanDerWaalsContact C-N 3.31Å; G405-V407 PolarHBondContact O-N 3.05Å; V407-V409 VanDerWaalsContact C-N 3.35Å; V407-V409 PolarHBondContact O-N 2.91Å; V407-I410 PolarHBondContact O-N 3.06Å; V407-I411 HydrophobicContact CG1-CD1 3.63Å; V407-I411 HydrophobicContact CG1-CG1 4.27Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.32Å; V407-I411 PolarHBondContact O-N 3.03Å
408C88Confident86.1Confident50 Ų5048.7 Ų48.734%0.33826%0.259SS..Hα-helixtrans-58.5-46.3177-72.70000111.6Y404 G405 I410 I411 T412Y404-C408 WeakPolarHBondContact O-CB 3.36Å; Y404-C408 PolarHBondContact O-N 2.89Å; Y404-C408 PolarHBondContact O-SG 3.09Å; G405-C408 PolarHBondContact O-N 3.06Å; C408-I410 VanDerWaalsContact C-N 3.35Å; C408-I410 PolarHBondContact O-N 3.08Å; C408-I411 PolarHBondContact O-N 3.47Å; C408-T412 PolarHBondContact O-N 3.16Å; C408-T412 PolarHBondContact O-OG1 3.09Å
409V89.8Confident86.5Confident97 Ų9747.9 Ų47.959%0.58825%0.254SS*.Hα-helixtrans-59.6-45.8177175.30000111G405 P406 V407 T412 V413G405-V409 PolarHBondContact O-N 3.34Å; P406-V409 PolarHBondContact O-N 3.41Å; V407-V409 VanDerWaalsContact C-N 3.35Å; V407-V409 PolarHBondContact O-N 2.91Å; V409-T412 PolarHBondContact O-N 3.43Å; V409-V413 WeakPolarHBondContact O-CG2 3.2Å; V409-V413 PolarHBondContact O-N 3.08Å; V409-V413 VanDerWaalsContact O-N 3.1Å
410I89.6Confident86.6Confident21 Ų2148.6 Ų48.611%0.10826%0.26CS..Hα-helixtrans-62.5-45.9178.6-70.8165.7000111.3L334 F337 C341 P406 V407 C408 T412 V413 N414L334-I410 HydrophobicContact CD1-CD1 4.39Å; F337-I410 HydrophobicContact CB-CD1 4.02Å; F337-I410 HydrophobicContact CB-CG2 4.16Å; C341-I410 HydrophobicContact CB-CG2 3.86Å; P406-I410 VanDerWaalsContact O-CG1 3.28Å; P406-I410 WeakPolarHBondContact O-CG1 3.37Å; P406-I410 PolarHBondContact O-N 3.47Å; V407-I410 PolarHBondContact O-N 3.06Å; C408-I410 VanDerWaalsContact C-N 3.35Å; C408-I410 PolarHBondContact O-N 3.08Å; I410-T412 VanDerWaalsContact C-N 3.34Å; I410-T412 PolarHBondContact O-N 3.24Å; I410-V413 PolarHBondContact O-N 3.28Å; I410-N414 VanDerWaalsContact O-CG 3.28Å; I410-N414 PolarHBondContact O-N 3.15Å; I410-N414 PolarHBondContact O-OD1 3.09Å
411I87.4Confident86.4Confident7 Ų748.3 Ų48.34%0.03626%0.259CS..Hα-helixtrans-61.2-44179.2-69.8171.1000110.4F337 V407 C408 V413 N414 V415 I458 W460 I461F337-I411 HydrophobicContact CD1-CG1 4.49Å; F337-I411 HydrophobicContact CE1-CD1 4.09Å; F337-I411 HydrophobicContact CE1-CG1 4.21Å; V407-I411 HydrophobicContact CG1-CD1 3.63Å; V407-I411 HydrophobicContact CG1-CG1 4.27Å; V407-I411 VanDerWaalsContact O-CG1 3.31Å; V407-I411 WeakPolarHBondContact O-CG1 3.32Å; V407-I411 PolarHBondContact O-N 3.03Å; C408-I411 PolarHBondContact O-N 3.47Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 3.5Å; I411-N414 PolarHBondContact O-N 3.05Å; I411-V415 HydrophobicContact CG2-CG2 4.25Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.33Å; I411-V415 PolarHBondContact O-N 3.37Å; I411-I458 HydrophobicContact CG2-CG1 4.22Å; I411-W460 HydrophobicContact CD1-CB 4.03Å; I411-I461 HydrophobicContact CD1-CG1 4.26Å; I411-I461 HydrophobicContact CG2-CD1 3.81Å; I411-I461 HydrophobicContact CG2-CG1 3.9Å
412T87.6Confident86.1Confident98 Ų9841 Ų4160%0.60124%0.235SC*.Hα-helixtrans-58.8-44.5176.6-57.30000111.8C408 V409 I410 V415 F416C408-T412 PolarHBondContact O-N 3.16Å; C408-T412 PolarHBondContact O-OG1 3.09Å; V409-T412 PolarHBondContact O-N 3.43Å; I410-T412 VanDerWaalsContact C-N 3.34Å; I410-T412 PolarHBondContact O-N 3.24Å; T412-V415 PolarHBondContact O-N 3.16Å; T412-F416 PolarHBondContact O-N 3.34Å; T412-F416 VanDerWaalsContact O-N 3.07Å
413V88.3Confident85.8Confident55 Ų5546.9 Ų46.933%0.33325%0.253SS..Hα-helixtrans-63.7-41.4176.8171.90000111.4V409 I410 I411 F416 F417V409-V413 WeakPolarHBondContact O-CG2 3.2Å; V409-V413 PolarHBondContact O-N 3.08Å; V409-V413 VanDerWaalsContact O-N 3.1Å; I410-V413 PolarHBondContact O-N 3.28Å; I411-V413 VanDerWaalsContact C-N 3.33Å; I411-V413 PolarHBondContact O-N 3.5Å; V413-F416 PolarHBondContact O-N 3.36Å; V413-F417 HydrophobicContact CG1-CD2 3.64Å; V413-F417 HydrophobicContact CG1-CE2 3.35Å; V413-F417 HydrophobicContact CG1-CZ 4.45Å; V413-F417 VanDerWaalsContact O-CD2 3.29Å; V413-F417 WeakPolarHBondContact O-CD2 3.37Å; V413-F417 PolarHBondContact O-N 3.09Å
414N86.2Confident85.3Confident3 Ų349.8 Ų49.82%0.01627%0.266CS..Hα-helixtrans-64.8-45178-73-4.1000112.4C341 I410 I411 F416 F417 F418C341-N414 WeakPolarHBondContact CA-OD1 3.36Å; C341-N414 WeakPolarHBondContact CB-OD1 3.41Å; I410-N414 VanDerWaalsContact O-CG 3.28Å; I410-N414 PolarHBondContact O-N 3.15Å; I410-N414 PolarHBondContact O-OD1 3.09Å; I411-N414 PolarHBondContact O-N 3.05Å; N414-F416 VanDerWaalsContact C-N 3.29Å; N414-F416 PolarHBondContact O-N 2.9Å; N414-F417 PolarHBondContact O-N 3.48Å; N414-F418 WeakPolarHBondContact O-CB 3.11Å; N414-F418 PolarHBondContact O-N 3.04Å
415V85.6Confident84.8Confident45 Ų4551.2 Ų51.227%0.27327%0.274SS..Hα-helixtrans-56.9-46.5175.1170.60000109.9I411 T412 F418 L419 I458I411-V415 HydrophobicContact CG2-CG2 4.25Å; I411-V415 VanDerWaalsContact O-CG2 3.26Å; I411-V415 WeakPolarHBondContact O-CG2 3.33Å; I411-V415 PolarHBondContact O-N 3.37Å; T412-V415 PolarHBondContact O-N 3.16Å; V415-F418 PolarHBondContact O-N 3.28Å; V415-L419 HydrophobicContact CG1-CD1 3.87Å; V415-L419 HydrophobicContact CG1-CG 4.28Å; V415-L419 WeakPolarHBondContact O-CB 3.39Å; V415-L419 VanDerWaalsContact O-CG 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.43Å; V415-L419 PolarHBondContact O-N 2.9Å; V415-I458 HydrophobicContact CG2-CD1 3.69Å; V415-I458 HydrophobicContact CG2-CG1 3.92Å
416F87.7Confident84.2Confident127 Ų12752 Ų5256%0.55728%0.279SS*.Hα-helixtrans-59-53.4178.2174.7-99.6000112.3T412 V413 N414 F418 L419 V420T412-F416 PolarHBondContact O-N 3.34Å; T412-F416 VanDerWaalsContact O-N 3.07Å; V413-F416 PolarHBondContact O-N 3.36Å; N414-F416 VanDerWaalsContact C-N 3.29Å; N414-F416 PolarHBondContact O-N 2.9Å; F416-F418 VanDerWaalsContact C-N 3.29Å; F416-F418 PolarHBondContact O-N 3.3Å; F416-L419 PolarHBondContact O-N 3.1Å; F416-V420 HydrophobicContact CE1-CG2 4.39Å; F416-V420 HydrophobicContact CE2-CG2 4.16Å; F416-V420 HydrophobicContact CZ-CG2 4.09Å; F416-V420 WeakPolarHBondContact O-CG2 3.36Å; F416-V420 PolarHBondContact O-N 3.15Å; F416-V420 VanDerWaalsContact O-N 3.11Å
417F83.1Confident83.4Confident38 Ų3854.3 Ų54.317%0.16729%0.287CS..Hα-helixtrans-61.9-38.7178.9-75.3-54.6000112.4I345 F348 V413 N414 T421I345-F417 HydrophobicContact CD1-CE2 4.31Å; I345-F417 HydrophobicContact CG1-CD2 3.95Å; I345-F417 HydrophobicContact CG1-CE2 3.56Å; I345-F417 HydrophobicContact CG1-CZ 4.11Å; F348-F417 HydrophobicContact CB-CB 4.43Å; F348-F417 HydrophobicContact CB-CD1 3.99Å; F348-F417 HydrophobicContact CB-CG 4.47Å; F348-F417 HydrophobicContact CD1-CD1 4.07Å; F348-F417 HydrophobicContact CD1-CE1 4.08Å; F348-F417 HydrophobicContact CD2-CD1 4.12Å; F348-F417 HydrophobicContact CE1-CE1 4.4Å; F348-F417 AromaticContact CG-CD1 3.78Å; F348-F417 HydrophobicContact CG-CD1 3.78Å; F348-F417 HydrophobicContact CG-CE1 4.27Å; V413-F417 HydrophobicContact CG1-CD2 3.64Å; V413-F417 HydrophobicContact CG1-CE2 3.35Å; V413-F417 HydrophobicContact CG1-CZ 4.45Å; V413-F417 VanDerWaalsContact O-CD2 3.29Å; V413-F417 WeakPolarHBondContact O-CD2 3.37Å; V413-F417 PolarHBondContact O-N 3.09Å; N414-F417 PolarHBondContact O-N 3.48Å; F417-T421 VanDerWaalsContact O-CB 3.26Å; F417-T421 WeakPolarHBondContact O-CB 3.39Å; F417-T421 PolarHBondContact O-N 3.42Å; F417-T421 PolarHBondContact O-OG1 3.49Å
418F81.8Confident82.5Confident22 Ų2259.1 Ų59.110%0.09631%0.308CS..Hα-helixtrans-63.3-49.2177.9-179.2-95.4000111.8N414 V415 F416 V420 T421 V422 A449 Q452 L453 L456N414-F418 WeakPolarHBondContact O-CB 3.11Å; N414-F418 PolarHBondContact O-N 3.04Å; V415-F418 PolarHBondContact O-N 3.28Å; F416-F418 VanDerWaalsContact C-N 3.29Å; F416-F418 PolarHBondContact O-N 3.3Å; F418-V420 VanDerWaalsContact C-N 3.35Å; F418-V420 PolarHBondContact O-N 3.46Å; F418-T421 PolarHBondContact O-N 2.94Å; F418-V422 HydrophobicContact CD1-CG2 4.08Å; F418-V422 HydrophobicContact CD2-CG2 4.34Å; F418-V422 HydrophobicContact CE1-CG2 3.57Å; F418-V422 HydrophobicContact CE2-CG2 3.87Å; F418-V422 HydrophobicContact CG-CG2 4.44Å; F418-V422 HydrophobicContact CZ-CG2 3.46Å; F418-V422 VanDerWaalsContact CZ-CG2 3.46Å; F418-V422 WeakPolarHBondContact O-CG2 3.48Å; F418-V422 PolarHBondContact O-N 3.03Å; F418-A449 HydrophobicContact CZ-CB 3.95Å; F418-A449 WeakPolarHBondContact CZ-O 3.26Å; F418-Q452 HydrophobicContact CD2-CG 4.3Å; F418-Q452 HydrophobicContact CE2-CB 3.94Å; F418-Q452 HydrophobicContact CE2-CG 3.79Å; F418-L453 HydrophobicContact CD1-CD1 3.43Å; F418-L453 VanDerWaalsContact CD1-CD1 3.43Å; F418-L453 HydrophobicContact CE1-CB 4.18Å; F418-L453 HydrophobicContact CE1-CD1 3.53Å; F418-L453 HydrophobicContact CE1-CG 4.37Å; F418-L453 HydrophobicContact CG-CD1 4.06Å; F418-L453 HydrophobicContact CZ-CB 4.12Å; F418-L453 HydrophobicContact CZ-CD1 4.23Å; F418-L456 HydrophobicContact CB-CD1 3.89Å; F418-L456 HydrophobicContact CD2-CD1 3.49Å; F418-L456 VanDerWaalsContact CD2-CD1 3.49Å; F418-L456 HydrophobicContact CE2-CD1 4.32Å; F418-L456 HydrophobicContact CG-CD1 3.91Å
419L84.3Confident81.5Confident108 Ų10862.6 Ų62.657%0.56532%0.317SS*.Hα-helixtrans-59.1-44.9178.6-71.9175.3000111.7V415 F416 T421 V422 W423V415-L419 HydrophobicContact CG1-CD1 3.87Å; V415-L419 HydrophobicContact CG1-CG 4.28Å; V415-L419 WeakPolarHBondContact O-CB 3.39Å; V415-L419 VanDerWaalsContact O-CG 3.27Å; V415-L419 WeakPolarHBondContact O-CG 3.43Å; V415-L419 PolarHBondContact O-N 2.9Å; F416-L419 PolarHBondContact O-N 3.1Å; L419-T421 VanDerWaalsContact C-N 3.35Å; L419-T421 PolarHBondContact O-N 3.26Å; L419-V422 PolarHBondContact O-N 2.99Å; L419-W423 VanDerWaalsContact O-CB 3.29Å; L419-W423 WeakPolarHBondContact O-CB 3.41Å; L419-W423 PolarHBondContact O-N 3.5Å
420V83.4Confident80.3Confident35 Ų3563 Ų6321%0.21232%0.324CS..Hα-helixtrans-63.6-42.4177176.70000111.2F348 F416 F418 W423 K424F348-V420 HydrophobicContact CD2-CG1 4.05Å; F348-V420 HydrophobicContact CE2-CB 4.48Å; F348-V420 HydrophobicContact CE2-CG1 3.66Å; F416-V420 HydrophobicContact CE1-CG2 4.39Å; F416-V420 HydrophobicContact CE2-CG2 4.16Å; F416-V420 HydrophobicContact CZ-CG2 4.09Å; F416-V420 WeakPolarHBondContact O-CG2 3.36Å; F416-V420 PolarHBondContact O-N 3.15Å; F416-V420 VanDerWaalsContact O-N 3.11Å; F418-V420 VanDerWaalsContact C-N 3.35Å; F418-V420 PolarHBondContact O-N 3.46Å; V420-W423 PolarHBondContact O-N 2.98Å; V420-K424 HydrophobicContact CG1-CG 4.49Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 WeakPolarHBondContact O-CG 3.35Å; V420-K424 PolarHBondContact O-N 3.33Å
421T77.6Confident79Confident10 Ų1066.9 Ų66.96%0.06135%0.353CS..Hα-helixtrans-64.3-46.2179.4-58.60000111.2L347 F348 V351 F417 F418 L419 K424 L425L347-T421 HydrophobicContact CB-CG2 4.47Å; F348-T421 WeakPolarHBondContact CA-OG1 3.39Å; V351-T421 HydrophobicContact CB-CG2 4.21Å; V351-T421 HydrophobicContact CG2-CG2 3.7Å; F417-T421 VanDerWaalsContact O-CB 3.26Å; F417-T421 WeakPolarHBondContact O-CB 3.39Å; F417-T421 PolarHBondContact O-N 3.42Å; F417-T421 PolarHBondContact O-OG1 3.49Å; F418-T421 PolarHBondContact O-N 2.94Å; L419-T421 VanDerWaalsContact C-N 3.35Å; L419-T421 PolarHBondContact O-N 3.26Å; T421-K424 PolarHBondContact O-N 3.43Å; T421-L425 HydrophobicContact CG2-CD1 3.92Å; T421-L425 HydrophobicContact CG2-CG 4.48Å; T421-L425 WeakPolarHBondContact O-CB 3.32Å; T421-L425 VanDerWaalsContact O-CG 3.29Å; T421-L425 WeakPolarHBondContact O-CG 3.26Å; T421-L425 PolarHBondContact O-N 2.95Å
422V78.6Confident77.6Confident36 Ų3672.5 Ų72.522%0.21838%0.382CS..Hα-helixtrans-63.4-44.6176.4171.10000111.1F418 L419 K424 L425 A426 F445 A449F418-V422 HydrophobicContact CD1-CG2 4.08Å; F418-V422 HydrophobicContact CD2-CG2 4.34Å; F418-V422 HydrophobicContact CE1-CG2 3.57Å; F418-V422 HydrophobicContact CE2-CG2 3.87Å; F418-V422 HydrophobicContact CG-CG2 4.44Å; F418-V422 HydrophobicContact CZ-CG2 3.46Å; F418-V422 VanDerWaalsContact CZ-CG2 3.46Å; F418-V422 WeakPolarHBondContact O-CG2 3.48Å; F418-V422 PolarHBondContact O-N 3.03Å; L419-V422 PolarHBondContact O-N 2.99Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 3.19Å; V422-L425 PolarHBondContact O-N 3.01Å; V422-A426 VanDerWaalsContact O-CB 3.3Å; V422-A426 WeakPolarHBondContact O-CB 3.23Å; V422-A426 PolarHBondContact O-N 3.28Å; V422-F445 HydrophobicContact CG1-CE1 4.04Å; V422-F445 HydrophobicContact CG1-CZ 4.19Å; V422-A449 HydrophobicContact CG2-CB 4.4Å
423W81.9Confident75.9Confident149 Ų14972.5 Ų72.556%0.56438%0.379SS*.Hα-helixtrans-58.8-44.7176.9178.861.9000111.8L419 V420 A426 Q427L419-W423 VanDerWaalsContact O-CB 3.29Å; L419-W423 WeakPolarHBondContact O-CB 3.41Å; L419-W423 PolarHBondContact O-N 3.5Å; V420-W423 PolarHBondContact O-N 2.98Å; W423-A426 PolarHBondContact O-N 3.5Å; W423-Q427 WeakPolarHBondContact O-CG 3.39Å; W423-Q427 PolarHBondContact O-N 3.35Å
424K77.6Confident74.6Confident63 Ų6375.5 Ų75.527%0.27440%0.4SS..Hα-helixtrans-71-36.5178.5-74.3-77.9175-158.70113.3V351 I352 V420 T421 V422 Q427 K428V351-K424 HydrophobicContact CG1-CB 3.83Å; I352-K424 HydrophobicContact CD1-CB 3.95Å; I352-K424 HydrophobicContact CD1-CD 3.55Å; I352-K424 HydrophobicContact CD1-CG 3.47Å; I352-K424 VanDerWaalsContact CD1-CG 3.47Å; V420-K424 HydrophobicContact CG1-CG 4.49Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 WeakPolarHBondContact O-CG 3.35Å; V420-K424 PolarHBondContact O-N 3.33Å; T421-K424 PolarHBondContact O-N 3.43Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 3.19Å; K424-Q427 VanDerWaalsContact NZ-OE1 3.08Å; K424-Q427 PolarHBondContact O-N 3.04Å; K424-K428 PolarHBondContact O-N 2.86Å
425L74.9Confident73.1Confident52 Ų5282.4 Ų82.427%0.27244%0.436SS..Hα-helixtrans-63.8-45.2171.6-78.7167.6000110.7V351 T421 V422 Q427 K428 F429 F445V351-L425 HydrophobicContact CG1-CD2 4.39Å; V351-L425 HydrophobicContact CG1-CG 4.17Å; V351-L425 HydrophobicContact CG2-CD1 4.22Å; V351-L425 HydrophobicContact CG2-CD2 3.9Å; V351-L425 HydrophobicContact CG2-CG 3.93Å; T421-L425 HydrophobicContact CG2-CD1 3.92Å; T421-L425 HydrophobicContact CG2-CG 4.48Å; T421-L425 WeakPolarHBondContact O-CB 3.32Å; T421-L425 VanDerWaalsContact O-CG 3.29Å; T421-L425 WeakPolarHBondContact O-CG 3.26Å; T421-L425 PolarHBondContact O-N 2.95Å; V422-L425 PolarHBondContact O-N 3.01Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 2.93Å; L425-K428 PolarHBondContact O-N 3.36Å; L425-F429 HydrophobicContact CB-CD2 4.38Å; L425-F429 HydrophobicContact CD2-CE2 4.33Å; L425-F429 WeakPolarHBondContact O-CB 3.27Å; L425-F429 VanDerWaalsContact O-CD2 3.23Å; L425-F429 WeakPolarHBondContact O-CD2 3.47Å; L425-F429 PolarHBondContact O-N 3.11Å; L425-F445 HydrophobicContact CB-CE2 4.01Å; L425-F445 HydrophobicContact CB-CZ 3.91Å; L425-F445 HydrophobicContact CD1-CE2 4.47Å
426A74.8Confident71.4Confident43 Ų4385.5 Ų85.536%0.35545%0.451SS..Hα-helixtrans-59.5-42176.600000111.6V422 W423 F429 S430V422-A426 VanDerWaalsContact O-CB 3.3Å; V422-A426 WeakPolarHBondContact O-CB 3.23Å; V422-A426 PolarHBondContact O-N 3.28Å; W423-A426 PolarHBondContact O-N 3.5Å; A426-F429 PolarHBondContact O-N 3.36Å; A426-S430 WeakPolarHBondContact O-CB 3.31Å; A426-S430 PolarHBondContact O-N 3.49Å
427Q74.4Confident69.9Low81 Ų8185.6 Ų85.638%0.37946%0.457SS..Hα-helixtrans-60-47.5172.8-75.7-179.8-14.500112.5W423 K424 L425 S430 S431W423-Q427 WeakPolarHBondContact O-CG 3.39Å; W423-Q427 PolarHBondContact O-N 3.35Å; K424-Q427 VanDerWaalsContact NZ-OE1 3.08Å; K424-Q427 PolarHBondContact O-N 3.04Å; L425-Q427 VanDerWaalsContact C-N 3.32Å; L425-Q427 PolarHBondContact O-N 2.93Å; Q427-S430 PolarHBondContact O-N 3.04Å; Q427-S431 PolarHBondContact O-N 3.37Å
428K70.8Confident69Low102 Ų10287.4 Ų87.444%0.44347%0.474SS..Hα-helixtrans-65.8-40.3178-79-176.3174.7-179.60112.3V351 K424 L425 S431 L432V351-K428 PolarHBondContact O-NZ 3.38Å; K424-K428 PolarHBondContact O-N 2.86Å; L425-K428 PolarHBondContact O-N 3.36Å; K428-S431 PolarHBondContact O-N 3.43Å; K428-L432 PolarHBondContact O-N 2.97Å
429F66.9Low68.1Low123 Ų12391.5 Ų91.554%0.53950%0.497SS..Hα-helixtrans-65.4-40.6177.1-89-69.9000112.1L425 A426 S431 L432 F445L425-F429 HydrophobicContact CB-CD2 4.38Å; L425-F429 HydrophobicContact CD2-CE2 4.33Å; L425-F429 WeakPolarHBondContact O-CB 3.27Å; L425-F429 VanDerWaalsContact O-CD2 3.23Å; L425-F429 WeakPolarHBondContact O-CD2 3.47Å; L425-F429 PolarHBondContact O-N 3.11Å; A426-F429 PolarHBondContact O-N 3.36Å; F429-S431 PolarHBondContact O-N 2.91Å; F429-L432 PolarHBondContact O-N 3.47Å; F429-F445 HydrophobicContact CD2-CD2 4.21Å; F429-F445 AromaticContact CD2-CE2 3.94Å; F429-F445 HydrophobicContact CD2-CE2 3.94Å; F429-F445 HydrophobicContact CE2-CD2 4.02Å; F429-F445 AromaticContact CE2-CE2 3.86Å; F429-F445 HydrophobicContact CE2-CE2 3.86Å
430S64.1Low67.2Low106 Ų10693.2 Ų93.274%0.74150%0.502SS*.Hα-helixtrans-63.4-23.5174.9-172.50000113.4A426 Q427A426-S430 WeakPolarHBondContact O-CB 3.31Å; A426-S430 PolarHBondContact O-N 3.49Å; Q427-S430 PolarHBondContact O-N 3.04Å
431S62.9Low66.4Low102 Ų10296.1 Ų96.171%0.71351%0.512SS*.Hα-helixtrans-90.3-18.4-178.3-178.40000114.2Q427 K428 F429Q427-S431 PolarHBondContact O-N 3.37Å; K428-S431 PolarHBondContact O-N 3.43Å; F429-S431 PolarHBondContact O-N 2.91Å
432L57.2Low65.9Low124 Ų124100.5 Ų100.565%0.64953%0.533SS*.Hα-helixtrans-107.6-14.5-166.2-84.9160.5000115.2K428 F429K428-L432 PolarHBondContact O-N 2.97Å; F429-L432 PolarHBondContact O-N 3.47Å
433N52.8Low65.6Low99 Ų99105 Ų10553%0.52955%0.55SS.*  trans-154.291.6-176.5-83.8-74.4000113.3
434P59.5Low65Low118 Ų118100.1 Ų100.177%0.76654%0.541SS*.SBendtrans-77.3-16171.428.4-31.2000114.7
435D55.2Low64.9Low147 Ų14799.9 Ų99.979%0.78654%0.54SS*.SBendtrans-111.532.4-161.7-71.3-34.2000117.3
436L49.3Very low64.8Low111 Ų111100.8 Ų100.858%0.58155%0.548SS*.SBendtrans-134.3145.8169.8-125.793.5000111.3S438 K441L436-S438 WeakPolarHBondContact O-CA 3.46Å; L436-S438 PolarHBondContact O-N 3.18Å; L436-K441 HydrophobicContact CB-CD 4.25Å; L436-K441 HydrophobicContact CD2-CD 4.49Å
437D56.6Low64.8Low129 Ų129104.3 Ų104.369%0.6956%0.56SS**  trans-41.8100.1-175.1-160.230.6000112.2L439 H440D437-L439 PolarHBondContact O-N 2.88Å; D437-L439 VanDerWaalsContact O-N 3.15Å; D437-H440 PolarHBondContact O-N 3.37Å
438S63.9Low64.8Low75 Ų75104 Ų10452%0.52456%0.563SS.*Hα-helixtrans-63.3-30.4-157.958.20000112.4L436 I442L436-S438 WeakPolarHBondContact O-CA 3.46Å; L436-S438 PolarHBondContact O-N 3.18Å; S438-I442 WeakPolarHBondContact O-CB 3.49Å; S438-I442 VanDerWaalsContact O-CD1 3.27Å; S438-I442 WeakPolarHBondContact O-CD1 3.34Å; S438-I442 WeakPolarHBondContact O-CG1 3.18Å; S438-I442 PolarHBondContact O-N 3.43Å; S438-I442 VanDerWaalsContact O-N 3.15Å
439L63.4Low65Low109 Ų109100 Ų10057%0.57155%0.549SS*.Hα-helixtrans-67-42-177.5-89.9163.3000113.8D437 K443D437-L439 PolarHBondContact O-N 2.88Å; D437-L439 VanDerWaalsContact O-N 3.15Å; L439-K443 WeakPolarHBondContact O-CB 3.37Å; L439-K443 VanDerWaalsContact O-CG 3.26Å; L439-K443 WeakPolarHBondContact O-CG 3.31Å; L439-K443 PolarHBondContact O-N 3.42Å
440H65.1Low65.3Low143 Ų14397.8 Ų97.866%0.66255%0.546SS*.Hα-helixtrans-73.9-34.8-174.8-161.5-58.1000112.1D437 A444D437-H440 PolarHBondContact O-N 3.37Å; H440-A444 WeakPolarHBondContact O-CB 3.41Å; H440-A444 PolarHBondContact O-N 2.99Å; H440-A444 VanDerWaalsContact O-N 3.08Å
441K66.1Low65.8Low97 Ų9793.8 Ų93.842%0.42252%0.519SS..Hα-helixtrans-71-41.9174.6-76.5-178.8176.5174.80112.1L436 A444 F445L436-K441 HydrophobicContact CB-CD 4.25Å; L436-K441 HydrophobicContact CD2-CD 4.49Å; K441-A444 PolarHBondContact O-N 2.94Å; K441-F445 WeakPolarHBondContact O-CB 3.34Å; K441-F445 PolarHBondContact O-N 3.11Å
442I68.9Low66.5Low101 Ų10189.8 Ų89.852%0.51849%0.489SS..Hα-helixtrans-61.7-45.6175.2-69166.4000110.1S438 A444 F445 T446S438-I442 WeakPolarHBondContact O-CB 3.49Å; S438-I442 VanDerWaalsContact O-CD1 3.27Å; S438-I442 WeakPolarHBondContact O-CD1 3.34Å; S438-I442 WeakPolarHBondContact O-CG1 3.18Å; S438-I442 PolarHBondContact O-N 3.43Å; S438-I442 VanDerWaalsContact O-N 3.15Å; I442-A444 PolarHBondContact O-N 3Å; I442-F445 PolarHBondContact O-N 2.88Å; I442-T446 WeakPolarHBondContact O-CB 3.29Å; I442-T446 PolarHBondContact O-N 3.22Å; I442-T446 PolarHBondContact O-OG1 2.84Å
443K71.2Confident67.4Low132 Ų13286.3 Ų86.357%0.57447%0.471SS*.Hα-helixtrans-58.5-47.4175.9-76.4178.3179.8-176.70112.4L439 T446 I447L439-K443 WeakPolarHBondContact O-CB 3.37Å; L439-K443 VanDerWaalsContact O-CG 3.26Å; L439-K443 WeakPolarHBondContact O-CG 3.31Å; L439-K443 PolarHBondContact O-N 3.42Å; K443-T446 PolarHBondContact O-N 3.32Å; K443-I447 WeakPolarHBondContact O-CB 3.36Å; K443-I447 WeakPolarHBondContact O-CD1 3.36Å; K443-I447 VanDerWaalsContact O-CG1 3.24Å; K443-I447 WeakPolarHBondContact O-CG1 3.34Å; K443-I447 PolarHBondContact O-N 3.49Å
444A70.4Confident68.3Low45 Ų4583.2 Ų83.237%0.37246%0.457SS..Hα-helixtrans-65.2-40.5179.300000112.9H440 K441 I442 T448H440-A444 WeakPolarHBondContact O-CB 3.41Å; H440-A444 PolarHBondContact O-N 2.99Å; H440-A444 VanDerWaalsContact O-N 3.08Å; K441-A444 PolarHBondContact O-N 2.94Å; I442-A444 PolarHBondContact O-N 3Å; A444-T448 WeakPolarHBondContact O-CB 3.01Å; A444-T448 PolarHBondContact O-N 3.22Å; A444-T448 PolarHBondContact O-OG1 3.35Å
445F74.9Confident69.2Low59 Ų5977.6 Ų77.626%0.25942%0.42SS..Hα-helixtrans-63.8-45.7175-179.4-99.2000111.5V422 L425 F429 K441 I442 T448 A449V422-F445 HydrophobicContact CG1-CE1 4.04Å; V422-F445 HydrophobicContact CG1-CZ 4.19Å; L425-F445 HydrophobicContact CB-CE2 4.01Å; L425-F445 HydrophobicContact CB-CZ 3.91Å; L425-F445 HydrophobicContact CD1-CE2 4.47Å; F429-F445 HydrophobicContact CD2-CD2 4.21Å; F429-F445 AromaticContact CD2-CE2 3.94Å; F429-F445 HydrophobicContact CD2-CE2 3.94Å; F429-F445 HydrophobicContact CE2-CD2 4.02Å; F429-F445 AromaticContact CE2-CE2 3.86Å; F429-F445 HydrophobicContact CE2-CE2 3.86Å; K441-F445 WeakPolarHBondContact O-CB 3.34Å; K441-F445 PolarHBondContact O-N 3.11Å; I442-F445 PolarHBondContact O-N 2.88Å; F445-T448 PolarHBondContact O-N 2.72Å; F445-A449 WeakPolarHBondContact O-CB 3.4Å; F445-A449 PolarHBondContact O-N 2.99Å
446T72.6Confident70.3Confident71 Ų7170.7 Ų70.744%0.43638%0.383SS..Hα-helixtrans-62.8-45177.1-60.20000112I442 K443 T448 A449 V450I442-T446 WeakPolarHBondContact O-CB 3.29Å; I442-T446 PolarHBondContact O-N 3.22Å; I442-T446 PolarHBondContact O-OG1 2.84Å; K443-T446 PolarHBondContact O-N 3.32Å; T446-T448 VanDerWaalsContact C-N 3.32Å; T446-T448 PolarHBondContact O-N 3.07Å; T446-A449 PolarHBondContact O-N 3.35Å; T446-V450 HydrophobicContact CG2-CG2 4.38Å; T446-V450 VanDerWaalsContact O-CG2 3.31Å; T446-V450 WeakPolarHBondContact O-CG2 3.37Å; T446-V450 PolarHBondContact O-N 3.27Å
447I74Confident71.4Confident116 Ų11665.4 Ų65.460%0.59536%0.355SS*.Hα-helixtrans-60.6-43.7176.6-70.1165.2000110.7K443 A449 V450 A451K443-I447 WeakPolarHBondContact O-CB 3.36Å; K443-I447 WeakPolarHBondContact O-CD1 3.36Å; K443-I447 VanDerWaalsContact O-CG1 3.24Å; K443-I447 WeakPolarHBondContact O-CG1 3.34Å; K443-I447 PolarHBondContact O-N 3.49Å; I447-A449 PolarHBondContact O-N 3.13Å; I447-V450 PolarHBondContact O-N 3.42Å; I447-A451 WeakPolarHBondContact O-CB 3.41Å; I447-A451 PolarHBondContact O-N 3.49Å
448T74.5Confident72.3Confident74 Ų7461 Ų6145%0.45433%0.331SS..Hα-helixtrans-64.3-41.4178-55.10000111.3A444 F445 T446 Q452 M492A444-T448 WeakPolarHBondContact O-CB 3.01Å; A444-T448 PolarHBondContact O-N 3.22Å; A444-T448 PolarHBondContact O-OG1 3.35Å; F445-T448 PolarHBondContact O-N 2.72Å; T446-T448 VanDerWaalsContact C-N 3.32Å; T446-T448 PolarHBondContact O-N 3.07Å; T448-Q452 VanDerWaalsContact O-CB 3.25Å; T448-Q452 WeakPolarHBondContact O-CB 3.38Å; T448-Q452 PolarHBondContact O-N 2.85Å; T448-M492 HydrophobicContact CG2-CE 3.93Å
449A75.4Confident73.1Confident18 Ų1857.7 Ų57.715%0.14931%0.308CS..Hα-helixtrans-63.8-46.9176.400000111.4F418 V422 F445 T446 I447 A451 Q452 L453F418-A449 HydrophobicContact CZ-CB 3.95Å; F418-A449 WeakPolarHBondContact CZ-O 3.26Å; V422-A449 HydrophobicContact CG2-CB 4.4Å; F445-A449 WeakPolarHBondContact O-CB 3.4Å; F445-A449 PolarHBondContact O-N 2.99Å; T446-A449 PolarHBondContact O-N 3.35Å; I447-A449 PolarHBondContact O-N 3.13Å; A449-A451 PolarHBondContact O-N 3.02Å; A449-Q452 PolarHBondContact O-N 2.68Å; A449-L453 VanDerWaalsContact O-CB 3.31Å; A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 PolarHBondContact O-N 2.97Å
450V73.5Confident73.9Confident78 Ų7853.6 Ų53.647%0.47329%0.285SS..Hα-helixtrans-62.8-43.5177.1171.90000111.3T446 I447 Q452 L453 C454T446-V450 HydrophobicContact CG2-CG2 4.38Å; T446-V450 VanDerWaalsContact O-CG2 3.31Å; T446-V450 WeakPolarHBondContact O-CG2 3.37Å; T446-V450 PolarHBondContact O-N 3.27Å; I447-V450 PolarHBondContact O-N 3.42Å; V450-Q452 PolarHBondContact O-N 3.21Å; V450-L453 WeakPolarHBondContact O-CB 3.42Å; V450-L453 PolarHBondContact O-N 2.91Å; V450-C454 PolarHBondContact O-N 3.48Å; V450-C454 PolarHBondContact O-SG 3.01Å; V450-C454 VanDerWaalsContact O-SG 3.35Å
451A74.3Confident74.5Confident22 Ų2250 Ų5018%0.18227%0.27CS..Hα-helixtrans-63.3-41.6176.600000112I447 A449 L453 C454 I455 M492I447-A451 WeakPolarHBondContact O-CB 3.41Å; I447-A451 PolarHBondContact O-N 3.49Å; A449-A451 PolarHBondContact O-N 3.02Å; A451-L453 VanDerWaalsContact C-N 3.32Å; A451-L453 PolarHBondContact O-N 2.95Å; A451-C454 PolarHBondContact O-N 3.42Å; A451-I455 WeakPolarHBondContact O-CG1 3.32Å; A451-I455 PolarHBondContact O-N 3.47Å; A451-I455 VanDerWaalsContact O-N 3.07Å; A451-M492 HydrophobicContact CB-CE 3.66Å; A451-M492 HydrophobicContact CB-CG 4.05Å; A451-M492 HydrophobicContact CB-SD 3.58Å; A451-M492 VanDerWaalsContact CB-SD 3.58Å
452Q77.7Confident74.9Confident18 Ų1848.2 Ų48.28%0.08426%0.262CS..Hα-helixtrans-64.9-36.5174.8-173.168.346.500111.9E343 L347 F418 T448 A449 V450 I455 L456E343-Q452 PolarHBondContact OE1-NE2 3.35Å; L347-Q452 HydrophobicContact CD1-CG 4.38Å; F418-Q452 HydrophobicContact CD2-CG 4.3Å; F418-Q452 HydrophobicContact CE2-CB 3.94Å; F418-Q452 HydrophobicContact CE2-CG 3.79Å; T448-Q452 VanDerWaalsContact O-CB 3.25Å; T448-Q452 WeakPolarHBondContact O-CB 3.38Å; T448-Q452 PolarHBondContact O-N 2.85Å; A449-Q452 PolarHBondContact O-N 2.68Å; V450-Q452 PolarHBondContact O-N 3.21Å; Q452-I455 PolarHBondContact O-N 3.24Å; Q452-L456 HydrophobicContact CG-CD1 4.49Å; Q452-L456 VanDerWaalsContact O-CG 3.29Å; Q452-L456 WeakPolarHBondContact O-CG 3.23Å; Q452-L456 PolarHBondContact O-N 3.42Å
453L75.5Confident75Confident51 Ų5143.4 Ų43.427%0.26724%0.237SC..Hα-helixtrans-63.5-42.7175.4-169.374.3000111.6F418 A449 V450 A451 L456 I458F418-L453 HydrophobicContact CD1-CD1 3.43Å; F418-L453 VanDerWaalsContact CD1-CD1 3.43Å; F418-L453 HydrophobicContact CE1-CB 4.18Å; F418-L453 HydrophobicContact CE1-CD1 3.53Å; F418-L453 HydrophobicContact CE1-CG 4.37Å; F418-L453 HydrophobicContact CG-CD1 4.06Å; F418-L453 HydrophobicContact CZ-CB 4.12Å; F418-L453 HydrophobicContact CZ-CD1 4.23Å; A449-L453 VanDerWaalsContact O-CB 3.31Å; A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 PolarHBondContact O-N 2.97Å; V450-L453 WeakPolarHBondContact O-CB 3.42Å; V450-L453 PolarHBondContact O-N 2.91Å; A451-L453 VanDerWaalsContact C-N 3.32Å; A451-L453 PolarHBondContact O-N 2.95Å; L453-L456 PolarHBondContact O-N 3.37Å; L453-I458 HydrophobicContact CB-CD1 4.47Å; L453-I458 HydrophobicContact CD1-CD1 3.03Å; L453-I458 HydrophobicContact CD2-CD1 4.16Å; L453-I458 HydrophobicContact CG-CD1 3.29Å
454C72.1Confident74.8Confident33 Ų3339.2 Ų39.222%0.22323%0.225CC..Hα-helixtrans-63-41.2174.1-66.90000111.9V450 A451 L456 G457 M488V450-C454 PolarHBondContact O-N 3.48Å; V450-C454 PolarHBondContact O-SG 3.01Å; V450-C454 VanDerWaalsContact O-SG 3.35Å; A451-C454 PolarHBondContact O-N 3.42Å; C454-L456 VanDerWaalsContact C-N 3.3Å; C454-L456 PolarHBondContact O-N 3.36Å; C454-G457 PolarHBondContact O-N 3.06Å; C454-M488 HydrophobicContact CB-SD 4.09Å
455I78.9Confident74.6Confident1 Ų141.4 Ų41.41%0.00523%0.226CC..Hα-helixtrans-63.3-34.8177.7-72.6167.1000112.1A451 Q452 G457 M488 L489 M492A451-I455 WeakPolarHBondContact O-CG1 3.32Å; A451-I455 PolarHBondContact O-N 3.47Å; A451-I455 VanDerWaalsContact O-N 3.07Å; Q452-I455 PolarHBondContact O-N 3.24Å; I455-G457 PolarHBondContact O-N 3.12Å; I455-G457 VanDerWaalsContact O-N 3.09Å; I455-M488 HydrophobicContact CG1-CB 4.35Å; I455-L489 HydrophobicContact CD1-CD2 4.37Å; I455-L489 HydrophobicContact CG1-CD2 4.27Å; I455-L489 HydrophobicContact CG2-CD2 3.51Å; I455-L489 HydrophobicContact CG2-CG 4.46Å; I455-M492 HydrophobicContact CD1-CB 3.7Å; I455-M492 HydrophobicContact CD1-CG 3.67Å
456L77.1Confident74Confident1 Ų142.2 Ų42.21%0.00523%0.23CC..THydrogen-bonded Turntrans-71.33.2179.1-73.1169.3000114.7F418 Q452 L453 C454F418-L456 HydrophobicContact CB-CD1 3.89Å; F418-L456 HydrophobicContact CD2-CD1 3.49Å; F418-L456 VanDerWaalsContact CD2-CD1 3.49Å; F418-L456 HydrophobicContact CE2-CD1 4.32Å; F418-L456 HydrophobicContact CG-CD1 3.91Å; Q452-L456 HydrophobicContact CG-CD1 4.49Å; Q452-L456 VanDerWaalsContact O-CG 3.29Å; Q452-L456 WeakPolarHBondContact O-CG 3.23Å; Q452-L456 PolarHBondContact O-N 3.42Å; L453-L456 PolarHBondContact O-N 3.37Å; C454-L456 VanDerWaalsContact C-N 3.3Å; C454-L456 PolarHBondContact O-N 3.36Å
457G72.3Confident73.1Confident0 Ų043.9 Ų43.90%023%0.232CC..THydrogen-bonded Turntrans92.712.9168.400000115.1C454 I455 M459 W460C454-G457 PolarHBondContact O-N 3.06Å; I455-G457 PolarHBondContact O-N 3.12Å; I455-G457 VanDerWaalsContact O-N 3.09Å; G457-M459 PolarHBondContact O-N 2.66Å; G457-W460 VanDerWaalsContact O-CB 3.27Å; G457-W460 WeakPolarHBondContact O-CB 3.34Å; G457-W460 PolarHBondContact O-N 3.49Å
458I75.9Confident72.2Confident36 Ų3644.2 Ų44.219%0.18523%0.231CC..THydrogen-bonded Turntrans-63-26.3179.1-80.2155.5000113.2I411 V415 L453 W460 I461I411-I458 HydrophobicContact CG2-CG1 4.22Å; V415-I458 HydrophobicContact CG2-CD1 3.69Å; V415-I458 HydrophobicContact CG2-CG1 3.92Å; L453-I458 HydrophobicContact CB-CD1 4.47Å; L453-I458 HydrophobicContact CD1-CD1 3.03Å; L453-I458 HydrophobicContact CD2-CD1 4.16Å; L453-I458 HydrophobicContact CG-CD1 3.29Å; I458-W460 PolarHBondContact O-N 2.94Å; I458-W460 VanDerWaalsContact O-N 3.11Å; I458-I461 HydrophobicContact CG1-CD1 4.43Å; I458-I461 HydrophobicContact CG2-CD1 4.19Å; I458-I461 VanDerWaalsContact O-CB 3.3Å; I458-I461 WeakPolarHBondContact O-CB 3.4Å; I458-I461 WeakPolarHBondContact O-CG1 3.38Å; I458-I461 PolarHBondContact O-N 3.18Å
459M81.7Confident70.8Confident7 Ų748.4 Ų48.43%0.03424%0.243CC..Hα-helixtrans-56.9-25.7171.668.2-173.1-157.900112.8G457 I461 F462 F478 F481 G482 Q485G457-M459 PolarHBondContact O-N 2.66Å; M459-I461 PolarHBondContact O-N 3.41Å; M459-F462 HydrophobicContact CB-CD2 4.47Å; M459-F462 WeakPolarHBondContact O-CB 3.29Å; M459-F462 VanDerWaalsContact O-CD2 3.32Å; M459-F462 WeakPolarHBondContact O-CD2 3.26Å; M459-F462 PolarHBondContact O-N 2.9Å; M459-F462 VanDerWaalsContact O-N 3.15Å; M459-F478 WeakPolarHBondContact O-CD2 3.42Å; M459-F481 HydrophobicContact CB-CB 3.82Å; M459-F481 HydrophobicContact CG-CB 4.35Å; M459-F481 HydrophobicContact SD-CB 3.7Å; M459-F481 VanDerWaalsContact SD-O 3.38Å; M459-G482 VanDerWaalsContact CE-CA 3.5Å; M459-Q485 HydrophobicContact CE-CB 3.85Å; M459-Q485 HydrophobicContact CE-CG 3.9Å; M459-Q485 HydrophobicContact SD-CB 4.41Å; M459-Q485 HydrophobicContact SD-CG 4.49Å
460W80.6Confident69.8Low22 Ų2255 Ų558%0.08328%0.275CS..Hα-helixtrans-73.2-13.8178.1-69.586.8000113.8Y333 F337 F403 I411 G457 I458 F462 G463 C464 F478Y333-W460 AromaticContact CD1-CH2 3.66Å; Y333-W460 HydrophobicContact CD1-CH2 3.66Å; Y333-W460 AromaticContact CD1-CZ2 3.83Å; Y333-W460 HydrophobicContact CD1-CZ2 3.83Å; Y333-W460 AromaticContact CE1-CH2 3.7Å; Y333-W460 HydrophobicContact CE1-CH2 3.7Å; Y333-W460 AromaticContact CE1-CZ2 3.87Å; Y333-W460 HydrophobicContact CE1-CZ2 3.87Å; Y333-W460 HydrophobicContact CG-CH2 4.26Å; F337-W460 HydrophobicContact CE1-CB 4.12Å; F337-W460 AromaticContact CE1-CD1 3.84Å; F337-W460 HydrophobicContact CE1-CD2 4.37Å; F337-W460 AromaticContact CE1-CG 3.87Å; F337-W460 HydrophobicContact CE1-CG 3.87Å; F337-W460 HydrophobicContact CE2-CD2 4.12Å; F337-W460 HydrophobicContact CE2-CE3 4.32Å; F337-W460 HydrophobicContact CE2-CG 4.46Å; F337-W460 HydrophobicContact CZ-CB 3.8Å; F337-W460 AromaticContact CZ-CD1 3.62Å; F337-W460 AromaticContact CZ-CD2 3.43Å; F337-W460 HydrophobicContact CZ-CD2 3.43Å; F337-W460 VanDerWaalsContact CZ-CD2 3.43Å; F337-W460 AromaticContact CZ-CE2 3.75Å; F337-W460 AromaticContact CZ-CE3 3.94Å; F337-W460 HydrophobicContact CZ-CE3 3.94Å; F337-W460 AromaticContact CZ-CG 3.36Å; F337-W460 HydrophobicContact CZ-CG 3.36Å; F337-W460 AromaticContact CZ-NE1 3.85Å; F403-W460 HydrophobicContact CE1-CZ3 4.28Å; F403-W460 HydrophobicContact CZ-CZ3 4.19Å; I411-W460 HydrophobicContact CD1-CB 4.03Å; G457-W460 VanDerWaalsContact O-CB 3.27Å; G457-W460 WeakPolarHBondContact O-CB 3.34Å; G457-W460 PolarHBondContact O-N 3.49Å; I458-W460 PolarHBondContact O-N 2.94Å; I458-W460 VanDerWaalsContact O-N 3.11Å; W460-F462 PolarHBondContact O-N 3.47Å; W460-G463 WeakPolarHBondContact O-CA 3.45Å; W460-G463 PolarHBondContact O-N 2.66Å; W460-C464 PolarHBondContact O-N 3.47Å; W460-F478 HydrophobicContact CB-CE2 4.5Å; W460-F478 AromaticContact CD2-CE2 3.74Å; W460-F478 HydrophobicContact CD2-CE2 3.74Å; W460-F478 HydrophobicContact CD2-CZ 4.23Å; W460-F478 AromaticContact CE3-CE2 3.6Å; W460-F478 HydrophobicContact CE3-CE2 3.6Å; W460-F478 AromaticContact CE3-CZ 3.7Å; W460-F478 HydrophobicContact CE3-CZ 3.7Å; W460-F478 HydrophobicContact CG-CE2 4.15Å; W460-F478 HydrophobicContact CH2-CZ 4.29Å; W460-F478 HydrophobicContact CZ3-CE2 4.11Å; W460-F478 AromaticContact CZ3-CZ 3.74Å; W460-F478 HydrophobicContact CZ3-CZ 3.74Å
461I76.2Confident69.3Low67 Ų6752.9 Ų52.934%0.34426%0.263SS..Hα-helixtrans-60.4-39.8167.6-61.2177.6000109.5I411 I458 M459 G463 C464 F465I411-I461 HydrophobicContact CD1-CG1 4.26Å; I411-I461 HydrophobicContact CG2-CD1 3.81Å; I411-I461 HydrophobicContact CG2-CG1 3.9Å; I458-I461 HydrophobicContact CG1-CD1 4.43Å; I458-I461 HydrophobicContact CG2-CD1 4.19Å; I458-I461 VanDerWaalsContact O-CB 3.3Å; I458-I461 WeakPolarHBondContact O-CB 3.4Å; I458-I461 WeakPolarHBondContact O-CG1 3.38Å; I458-I461 PolarHBondContact O-N 3.18Å; M459-I461 PolarHBondContact O-N 3.41Å; I461-G463 PolarHBondContact O-N 3.11Å; I461-C464 WeakPolarHBondContact O-CB 3.49Å; I461-C464 PolarHBondContact O-N 3.07Å; I461-F465 HydrophobicContact CG2-CE2 4.1Å; I461-F465 VanDerWaalsContact O-CD2 3.31Å; I461-F465 WeakPolarHBondContact O-CD2 3.4Å
462F75.6Confident69Low60 Ų6056.6 Ų56.626%0.26328%0.279SS..Hα-helixtrans-63.1-28.7174.7-53.7-53.4000112.2M459 W460 C464 F465 Q466 M474 L477 F478M459-F462 HydrophobicContact CB-CD2 4.47Å; M459-F462 WeakPolarHBondContact O-CB 3.29Å; M459-F462 VanDerWaalsContact O-CD2 3.32Å; M459-F462 WeakPolarHBondContact O-CD2 3.26Å; M459-F462 PolarHBondContact O-N 2.9Å; M459-F462 VanDerWaalsContact O-N 3.15Å; W460-F462 PolarHBondContact O-N 3.47Å; F462-C464 VanDerWaalsContact C-N 3.27Å; F462-C464 PolarHBondContact O-N 3.33Å; F462-F465 PolarHBondContact O-N 3.23Å; F462-Q466 PolarHBondContact O-N 3.45Å; F462-M474 HydrophobicContact CD1-SD 3.68Å; F462-M474 HydrophobicContact CE1-SD 4.11Å; F462-L477 HydrophobicContact CD2-CB 4.45Å; F462-F478 HydrophobicContact CB-CB 4.02Å
463G69.9Low68.8Low0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-65.2-24.9173.800000114.1Y404 W460 I461 F465 Q466Y404-G463 PolarHBondContact OH-O 2.8Å; Y404-G463 VanDerWaalsContact OH-O 3.13Å; W460-G463 WeakPolarHBondContact O-CA 3.45Å; W460-G463 PolarHBondContact O-N 2.66Å; I461-G463 PolarHBondContact O-N 3.11Å; G463-F465 VanDerWaalsContact C-N 3.3Å; G463-F465 PolarHBondContact O-N 3.19Å; G463-Q466 WeakPolarHBondContact O-CB 3.4Å; G463-Q466 PolarHBondContact O-N 2.89Å
464C67.7Low68.7Low45 Ų4559.7 Ų59.730%0.30431%0.305SS..Hα-helixtrans-69.2-31.2174.3-61.90000112Y404 W460 I461 F462 Q466Y404-C464 VanDerWaalsContact CD1-SG 3.53Å; W460-C464 PolarHBondContact O-N 3.47Å; I461-C464 WeakPolarHBondContact O-CB 3.49Å; I461-C464 PolarHBondContact O-N 3.07Å; F462-C464 VanDerWaalsContact C-N 3.27Å; F462-C464 PolarHBondContact O-N 3.33Å; C464-Q466 VanDerWaalsContact C-N 3.32Å
465F65.7Low68.7Low90 Ų9059 Ų5940%0.39530%0.3SS..Hα-helixtrans-83.1-9177.9-61.5-78.4000112.4I461 F462 G463 F467 E468 T471 M474I461-F465 HydrophobicContact CG2-CE2 4.1Å; I461-F465 VanDerWaalsContact O-CD2 3.31Å; I461-F465 WeakPolarHBondContact O-CD2 3.4Å; F462-F465 PolarHBondContact O-N 3.23Å; G463-F465 VanDerWaalsContact C-N 3.3Å; G463-F465 PolarHBondContact O-N 3.19Å; F465-F467 PolarHBondContact O-N 3.48Å; F465-E468 PolarHBondContact O-N 2.85Å; F465-T471 PolarHBondContact O-OG1 2.99Å; F465-M474 HydrophobicContact CB-CB 4.35Å; F465-M474 HydrophobicContact CB-CG 4.5Å
466Q62Low68.5Low76 Ų7662 Ų6236%0.35531%0.312SS..THydrogen-bonded Turntrans-55.5-24.4177-167.983.913.700113.5F462 G463 C464 S475F462-Q466 PolarHBondContact O-N 3.45Å; G463-Q466 WeakPolarHBondContact O-CB 3.4Å; G463-Q466 PolarHBondContact O-N 2.89Å; C464-Q466 VanDerWaalsContact C-N 3.32Å; Q466-S475 PolarHBondContact NE2-OG 3.33Å; Q466-S475 VanDerWaalsContact OE1-CA 3.24Å; Q466-S475 PolarHBondContact OE1-OG 3.47Å
467F53.7Low68.7Low107 Ų10765.3 Ų65.347%0.46933%0.329SS..THydrogen-bonded Turntrans-89.9-6.1-178-54-75.2000113.6L397 I400 Y404 F465L397-F467 HydrophobicContact CD2-CD1 4.5Å; I400-F467 HydrophobicContact CD1-CE1 3.81Å; I400-F467 HydrophobicContact CD1-CE2 4.5Å; I400-F467 HydrophobicContact CD1-CZ 3.55Å; I400-F467 HydrophobicContact CG1-CZ 4.18Å; Y404-F467 HydrophobicContact CD2-CE2 4.29Å; Y404-F467 AromaticContact CE2-CE2 3.48Å; Y404-F467 HydrophobicContact CE2-CE2 3.48Å; Y404-F467 VanDerWaalsContact CE2-CE2 3.48Å; Y404-F467 AromaticContact CE2-CZ 3.72Å; Y404-F467 HydrophobicContact CE2-CZ 3.72Å; Y404-F467 AromaticContact CZ-CE2 3.72Å; F465-F467 PolarHBondContact O-N 3.48Å
468E56.8Low69.1Low123 Ų12367 Ų6758%0.57534%0.336SS*.SBendtrans-91133.5177.8-162158.8-154.200109.9F465 D470 T471F465-E468 PolarHBondContact O-N 2.85Å; E468-D470 PolarHBondContact O-N 3.47Å; E468-D470 VanDerWaalsContact O-N 3.17Å; E468-T471 HydrophobicContact CB-CG2 4.5Å; E468-T471 PolarHBondContact O-OG1 3.31Å
469K44.9Very low69.3Low162 Ų16266.3 Ų66.370%0.70433%0.334SS*.THydrogen-bonded Turntrans-70.4-12.7-165.5-74.2-178.2170.8-176.40115.1E163E163-K469 WeakPolarHBondContact OE2-CD 3.14Å; E163-K469 IonicContact OE2-NZ 3.47Å; E163-K469 PolarHBondContact OE2-NZ 2.93Å
470D54.4Low69.3Low156 Ų15669 Ų6983%0.83435%0.348SS*.THydrogen-bonded Turntrans-114.713.5-173-68.7-34.5000114.7E468E468-D470 PolarHBondContact O-N 3.47Å; E468-D470 VanDerWaalsContact O-N 3.17Å
471T63.2Low69.4Low34 Ų3471.1 Ų71.121%0.20936%0.358CS..  trans-113.550.5-174.256.70000113.6F465 E468 A473 M474 S475F465-T471 PolarHBondContact O-OG1 2.99Å; E468-T471 HydrophobicContact CB-CG2 4.5Å; E468-T471 PolarHBondContact O-OG1 3.31Å; T471-A473 VanDerWaalsContact C-N 3.28Å; T471-A473 PolarHBondContact O-N 3.5Å; T471-M474 HydrophobicContact CG2-CG 4.44Å; T471-M474 PolarHBondContact O-N 2.9Å; T471-S475 PolarHBondContact O-N 2.86Å
472L67.3Low69.8Low99 Ų9968.8 Ų68.852%0.51835%0.35SS..Hα-helixtrans-53.7-44.3177.4-174.267.8000111.9M474 S475 Y476L472-M474 VanDerWaalsContact C-N 3.29Å; L472-M474 PolarHBondContact O-N 3.4Å; L472-S475 WeakPolarHBondContact O-CB 3.25Å; L472-S475 PolarHBondContact O-N 3.22Å; L472-S475 VanDerWaalsContact O-N 3.13Å; L472-Y476 HydrophobicContact CD1-CD2 4.29Å; L472-Y476 HydrophobicContact CD1-CE2 3.84Å; L472-Y476 HydrophobicContact CD2-CE2 4.15Å; L472-Y476 HydrophobicContact CG-CD2 4Å; L472-Y476 HydrophobicContact CG-CE2 3.75Å; L472-Y476 WeakPolarHBondContact O-CD2 3.31Å; L472-Y476 PolarHBondContact O-N 3.02Å; L472-Y476 VanDerWaalsContact O-N 3.11Å
473A72.7Confident70.3Confident67 Ų6766.2 Ų66.255%0.55434%0.339SS*.Hα-helixtrans-58.3-38.6178.100000112.9T471 S475 Y476 L477T471-A473 VanDerWaalsContact C-N 3.28Å; T471-A473 PolarHBondContact O-N 3.5Å; A473-S475 VanDerWaalsContact C-N 3.34Å; A473-Y476 PolarHBondContact O-N 3.14Å; A473-L477 WeakPolarHBondContact O-CG 3.48Å; A473-L477 PolarHBondContact O-N 3.46Å
474M73.9Confident71.2Confident68 Ų6869 Ų6934%0.33535%0.354SS..Hα-helixtrans-68.8-35.4178.9-61.5-58.9171.500111.6F462 F465 T471 L472 L477 F478F462-M474 HydrophobicContact CD1-SD 3.68Å; F462-M474 HydrophobicContact CE1-SD 4.11Å; F465-M474 HydrophobicContact CB-CB 4.35Å; F465-M474 HydrophobicContact CB-CG 4.5Å; T471-M474 HydrophobicContact CG2-CG 4.44Å; T471-M474 PolarHBondContact O-N 2.9Å; L472-M474 VanDerWaalsContact C-N 3.29Å; L472-M474 PolarHBondContact O-N 3.4Å; M474-L477 PolarHBondContact O-N 2.92Å; M474-L477 HydrophobicContact SD-CD1 4.26Å; M474-F478 WeakPolarHBondContact O-CB 3.49Å; M474-F478 PolarHBondContact O-N 3.31Å
475S71.3Confident72.1Confident19 Ų1967.4 Ų67.413%0.13334%0.342CS..Hα-helixtrans-64.3-41.9173.91760000112.4Q466 T471 L472 A473 T479Q466-S475 PolarHBondContact NE2-OG 3.33Å; Q466-S475 VanDerWaalsContact OE1-CA 3.24Å; Q466-S475 PolarHBondContact OE1-OG 3.47Å; T471-S475 PolarHBondContact O-N 2.86Å; L472-S475 WeakPolarHBondContact O-CB 3.25Å; L472-S475 PolarHBondContact O-N 3.22Å; L472-S475 VanDerWaalsContact O-N 3.13Å; A473-S475 VanDerWaalsContact C-N 3.34Å; S475-T479 VanDerWaalsContact O-CB 3.23Å; S475-T479 WeakPolarHBondContact O-CB 3.31Å; S475-T479 PolarHBondContact O-N 2.94Å; S475-T479 PolarHBondContact O-OG1 3.22Å
476Y76.4Confident73.3Confident64 Ų6463.1 Ų63.125%0.25132%0.324SS..Hα-helixtrans-62-46.8173.3-84.9-87.1000112L259 L472 A473 T479 I480L259-Y476 HydrophobicContact CD1-CD1 4.27Å; L259-Y476 HydrophobicContact CD1-CD2 4.17Å; L259-Y476 HydrophobicContact CD1-CE1 3.88Å; L259-Y476 HydrophobicContact CD1-CE2 3.77Å; L259-Y476 HydrophobicContact CD1-CG 4.4Å; L259-Y476 HydrophobicContact CD2-CD1 3.5Å; L259-Y476 VanDerWaalsContact CD2-CD1 3.5Å; L259-Y476 HydrophobicContact CD2-CE1 3.67Å; L259-Y476 HydrophobicContact CD2-CG 3.97Å; L259-Y476 HydrophobicContact CG-CD1 3.94Å; L259-Y476 HydrophobicContact CG-CE1 3.54Å; L259-Y476 HydrophobicContact CG-CE2 4.37Å; L259-Y476 HydrophobicContact CG-CG 4.5Å; L472-Y476 HydrophobicContact CD1-CD2 4.29Å; L472-Y476 HydrophobicContact CD1-CE2 3.84Å; L472-Y476 HydrophobicContact CD2-CE2 4.15Å; L472-Y476 HydrophobicContact CG-CD2 4Å; L472-Y476 HydrophobicContact CG-CE2 3.75Å; L472-Y476 WeakPolarHBondContact O-CD2 3.31Å; L472-Y476 PolarHBondContact O-N 3.02Å; L472-Y476 VanDerWaalsContact O-N 3.11Å; A473-Y476 PolarHBondContact O-N 3.14Å; Y476-T479 PolarHBondContact O-N 2.85Å; Y476-I480 WeakPolarHBondContact O-CB 3.28Å; Y476-I480 VanDerWaalsContact O-CG1 3.26Å; Y476-I480 WeakPolarHBondContact O-CG1 3.43Å; Y476-I480 PolarHBondContact O-N 3.25Å
477L79.9Confident74.7Confident69 Ų6961 Ų6136%0.36132%0.316SS..Hα-helixtrans-62-47.3178.5-67.9173.9000111.4F462 A473 M474 T479 I480 F481F462-L477 HydrophobicContact CD2-CB 4.45Å; A473-L477 WeakPolarHBondContact O-CG 3.48Å; A473-L477 PolarHBondContact O-N 3.46Å; M474-L477 PolarHBondContact O-N 2.92Å; M474-L477 HydrophobicContact SD-CD1 4.26Å; L477-T479 VanDerWaalsContact C-N 3.32Å; L477-T479 PolarHBondContact O-N 3.4Å; L477-I480 PolarHBondContact O-N 2.89Å; L477-F481 HydrophobicContact CB-CD2 4.28Å; L477-F481 HydrophobicContact CB-CE2 4.36Å; L477-F481 HydrophobicContact CD2-CE2 3.93Å; L477-F481 WeakPolarHBondContact O-CB 3.34Å; L477-F481 WeakPolarHBondContact O-CD2 3.4Å; L477-F481 PolarHBondContact O-N 2.9Å
478F81.3Confident76.4Confident36 Ų3658.3 Ų58.316%0.15831%0.305CS..Hα-helixtrans-57.9-45.4176.2176.4-112000111.6M459 W460 F462 M474 G482M459-F478 WeakPolarHBondContact O-CD2 3.42Å; W460-F478 HydrophobicContact CB-CE2 4.5Å; W460-F478 AromaticContact CD2-CE2 3.74Å; W460-F478 HydrophobicContact CD2-CE2 3.74Å; W460-F478 HydrophobicContact CD2-CZ 4.23Å; W460-F478 AromaticContact CE3-CE2 3.6Å; W460-F478 HydrophobicContact CE3-CE2 3.6Å; W460-F478 AromaticContact CE3-CZ 3.7Å; W460-F478 HydrophobicContact CE3-CZ 3.7Å; W460-F478 HydrophobicContact CG-CE2 4.15Å; W460-F478 HydrophobicContact CH2-CZ 4.29Å; W460-F478 HydrophobicContact CZ3-CE2 4.11Å; W460-F478 AromaticContact CZ3-CZ 3.74Å; W460-F478 HydrophobicContact CZ3-CZ 3.74Å; F462-F478 HydrophobicContact CB-CB 4.02Å; M474-F478 WeakPolarHBondContact O-CB 3.49Å; M474-F478 PolarHBondContact O-N 3.31Å; F478-G482 VanDerWaalsContact O-CA 3.26Å; F478-G482 WeakPolarHBondContact O-CA 3.4Å; F478-G482 PolarHBondContact O-N 3.2Å
479T79.7Confident78Confident22 Ų2252.5 Ų52.514%0.13528%0.278CS..Hα-helixtrans-67.7-43.9-177.9-59.10000112.4L259 S263 S475 Y476 L477 S483L259-T479 HydrophobicContact CD2-CG2 3.72Å; S263-T479 WeakPolarHBondContact OG-CG2 3.5Å; S475-T479 VanDerWaalsContact O-CB 3.23Å; S475-T479 WeakPolarHBondContact O-CB 3.31Å; S475-T479 PolarHBondContact O-N 2.94Å; S475-T479 PolarHBondContact O-OG1 3.22Å; Y476-T479 PolarHBondContact O-N 2.85Å; L477-T479 VanDerWaalsContact C-N 3.32Å; L477-T479 PolarHBondContact O-N 3.4Å; T479-S483 VanDerWaalsContact O-CB 3.23Å; T479-S483 WeakPolarHBondContact O-CB 3.47Å; T479-S483 PolarHBondContact O-N 2.87Å; T479-S483 PolarHBondContact O-OG 3.22Å
480I82.3Confident80.2Confident63 Ų6346.3 Ų46.332%0.32325%0.251SS..Hα-helixtrans-67.6-51.9179.6-68.3166.7000110.6I262 Y476 L477 G482 S483 L484I262-I480 HydrophobicContact CG2-CG1 4.42Å; Y476-I480 WeakPolarHBondContact O-CB 3.28Å; Y476-I480 VanDerWaalsContact O-CG1 3.26Å; Y476-I480 WeakPolarHBondContact O-CG1 3.43Å; Y476-I480 PolarHBondContact O-N 3.25Å; L477-I480 PolarHBondContact O-N 2.89Å; I480-G482 VanDerWaalsContact C-N 3.35Å; I480-G482 PolarHBondContact O-N 2.82Å; I480-S483 PolarHBondContact O-N 3.4Å; I480-S483 PolarHBondContact O-OG 3.37Å; I480-S483 VanDerWaalsContact O-OG 3.05Å; I480-L484 HydrophobicContact CG2-CD1 4.16Å; I480-L484 WeakPolarHBondContact O-CB 3.46Å; I480-L484 WeakPolarHBondContact O-CG 3.24Å; I480-L484 PolarHBondContact O-N 2.88Å; I480-L484 VanDerWaalsContact O-N 3.15Å
481F83.1Confident81.8Confident67 Ų6740.9 Ų40.929%0.29422%0.224SC..Hα-helixtrans-66.2-39.9179-70.1-57.6000111.7M459 L477 L484 Q485 M488M459-F481 HydrophobicContact CB-CB 3.82Å; M459-F481 HydrophobicContact CG-CB 4.35Å; M459-F481 HydrophobicContact SD-CB 3.7Å; M459-F481 VanDerWaalsContact SD-O 3.38Å; L477-F481 HydrophobicContact CB-CD2 4.28Å; L477-F481 HydrophobicContact CB-CE2 4.36Å; L477-F481 HydrophobicContact CD2-CE2 3.93Å; L477-F481 WeakPolarHBondContact O-CB 3.34Å; L477-F481 WeakPolarHBondContact O-CD2 3.4Å; L477-F481 PolarHBondContact O-N 2.9Å; F481-L484 PolarHBondContact O-N 2.96Å; F481-Q485 PolarHBondContact O-N 3.45Å; F481-Q485 VanDerWaalsContact O-N 3.09Å; F481-M488 HydrophobicContact CD1-CE 3.85Å; F481-M488 HydrophobicContact CE1-CE 4.25Å
482G83.6Confident82.9Confident18 Ų1840.5 Ų40.519%0.18622%0.22CC..Hα-helixtrans-56-52.3174.600000113M459 F478 I480 L484 Q485M459-G482 VanDerWaalsContact CE-CA 3.5Å; F478-G482 VanDerWaalsContact O-CA 3.26Å; F478-G482 WeakPolarHBondContact O-CA 3.4Å; F478-G482 PolarHBondContact O-N 3.2Å; I480-G482 VanDerWaalsContact C-N 3.35Å; I480-G482 PolarHBondContact O-N 2.82Å; G482-L484 VanDerWaalsContact C-N 3.31Å; G482-L484 PolarHBondContact O-N 3.33Å; G482-Q485 WeakPolarHBondContact O-CB 3.25Å; G482-Q485 PolarHBondContact O-N 3.43Å
483S87.1Confident83.8Confident5 Ų536 Ų364%0.03520%0.196CC..Hα-helixtrans-67.2-30.7-178.860.90000113.1G266 S270 T479 I480G266-S483 CarbonylContact C-O 3.59Å; S270-S483 VanDerWaalsContact CB-O 3.26Å; S270-S483 WeakPolarHBondContact CB-O 3.44Å; S270-S483 PolarHBondContact OG-O 3.33Å; T479-S483 VanDerWaalsContact O-CB 3.23Å; T479-S483 WeakPolarHBondContact O-CB 3.47Å; T479-S483 PolarHBondContact O-N 2.87Å; T479-S483 PolarHBondContact O-OG 3.22Å; I480-S483 PolarHBondContact O-N 3.4Å; I480-S483 PolarHBondContact O-OG 3.37Å; I480-S483 VanDerWaalsContact O-OG 3.05Å
484L87.5Confident84.4Confident60 Ų6032.9 Ų32.931%0.31417%0.17SC..Hα-helixtrans-91.10.4179.8-64.3176.8000114.6I480 F481 G482 G486 V487 M488I480-L484 HydrophobicContact CG2-CD1 4.16Å; I480-L484 WeakPolarHBondContact O-CB 3.46Å; I480-L484 WeakPolarHBondContact O-CG 3.24Å; I480-L484 PolarHBondContact O-N 2.88Å; I480-L484 VanDerWaalsContact O-N 3.15Å; F481-L484 PolarHBondContact O-N 2.96Å; G482-L484 VanDerWaalsContact C-N 3.31Å; G482-L484 PolarHBondContact O-N 3.33Å; L484-G486 VanDerWaalsContact C-N 3.35Å; L484-G486 PolarHBondContact O-N 3.03Å; L484-V487 HydrophobicContact CD2-CG2 4.27Å; L484-V487 WeakPolarHBondContact O-CB 3.37Å; L484-V487 PolarHBondContact O-N 3.42Å; L484-M488 PolarHBondContact O-N 3.45Å
485Q88.4Confident85Confident10 Ų1033 Ų335%0.04717%0.172CC..Hα-helixtrans-57.3-42.7-174.2-171.4178.310.900113.6M459 F481 G482 V487 M488 L489M459-Q485 HydrophobicContact CE-CB 3.85Å; M459-Q485 HydrophobicContact CE-CG 3.9Å; M459-Q485 HydrophobicContact SD-CB 4.41Å; M459-Q485 HydrophobicContact SD-CG 4.49Å; F481-Q485 PolarHBondContact O-N 3.45Å; F481-Q485 VanDerWaalsContact O-N 3.09Å; G482-Q485 WeakPolarHBondContact O-CB 3.25Å; G482-Q485 PolarHBondContact O-N 3.43Å; Q485-V487 VanDerWaalsContact C-N 3.33Å; Q485-V487 PolarHBondContact O-N 3.38Å; Q485-M488 PolarHBondContact O-N 2.87Å; Q485-L489 PolarHBondContact O-N 3.37Å
486G90.6Very high85.5Confident1 Ų138.5 Ų38.51%0.0119%0.194CC..Hα-helixtrans-68.4-31.2177.400000113.4S270 L484 L489 F490S270-G486 WeakPolarHBondContact OG-CA 3.3Å; S270-G486 PolarHBondContact OG-N 3.42Å; L484-G486 VanDerWaalsContact C-N 3.35Å; L484-G486 PolarHBondContact O-N 3.03Å; G486-L489 PolarHBondContact O-N 3.2Å; G486-F490 PolarHBondContact O-N 2.96Å; G486-F490 VanDerWaalsContact O-N 3.15Å
487V91.3Very high85.7Confident30 Ų3036.3 Ų36.318%0.18219%0.188CC..Hα-helixtrans-65.8-45.4172.3-175.30000110L269 C273 L484 Q485 L489 F490 V491L269-V487 HydrophobicContact CD2-CG2 4.16Å; L269-V487 HydrophobicContact CG-CG2 3.95Å; C273-V487 HydrophobicContact CB-CG2 4.48Å; L484-V487 HydrophobicContact CD2-CG2 4.27Å; L484-V487 WeakPolarHBondContact O-CB 3.37Å; L484-V487 PolarHBondContact O-N 3.42Å; Q485-V487 VanDerWaalsContact C-N 3.33Å; Q485-V487 PolarHBondContact O-N 3.38Å; V487-L489 VanDerWaalsContact C-N 3.33Å; V487-L489 PolarHBondContact O-N 3.44Å; V487-F490 PolarHBondContact O-N 2.9Å; V487-V491 HydrophobicContact CG1-CG2 4.44Å; V487-V491 WeakPolarHBondContact O-CG2 3.35Å; V487-V491 PolarHBondContact O-N 2.81Å
488M88.4Confident85.7Confident52 Ų5239.9 Ų39.926%0.25620%0.2SC..Hα-helixtrans-60.1-42.3176.8-66.4-169.9-179.400112C454 I455 F481 L484 Q485 F490 V491 M492C454-M488 HydrophobicContact CB-SD 4.09Å; I455-M488 HydrophobicContact CG1-CB 4.35Å; F481-M488 HydrophobicContact CD1-CE 3.85Å; F481-M488 HydrophobicContact CE1-CE 4.25Å; L484-M488 PolarHBondContact O-N 3.45Å; Q485-M488 PolarHBondContact O-N 2.87Å; M488-F490 PolarHBondContact O-N 3.32Å; M488-V491 PolarHBondContact O-N 2.87Å; M488-M492 WeakPolarHBondContact O-CB 3.19Å; M488-M492 VanDerWaalsContact O-CG 3.31Å; M488-M492 WeakPolarHBondContact O-CG 3.33Å; M488-M492 PolarHBondContact O-N 3.32Å
489L90Very high85.7Confident1 Ų141.6 Ų41.61%0.00522%0.215CC..Hα-helixtrans-58.3-46.2175.4-79.1170.5000112.3L274 L298 L302 I455 Q485 G486 V487 H493L274-L489 HydrophobicContact CD2-CD1 3.98Å; L298-L489 HydrophobicContact CD2-CD2 4.06Å; L302-L489 HydrophobicContact CD1-CD1 3.48Å; L302-L489 VanDerWaalsContact CD1-CD1 3.48Å; I455-L489 HydrophobicContact CD1-CD2 4.37Å; I455-L489 HydrophobicContact CG1-CD2 4.27Å; I455-L489 HydrophobicContact CG2-CD2 3.51Å; I455-L489 HydrophobicContact CG2-CG 4.46Å; Q485-L489 PolarHBondContact O-N 3.37Å; G486-L489 PolarHBondContact O-N 3.2Å; V487-L489 VanDerWaalsContact C-N 3.33Å; V487-L489 PolarHBondContact O-N 3.44Å; L489-H493 WeakPolarHBondContact O-CB 3.38Å; L489-H493 PolarHBondContact O-CD2 2.88Å; L489-H493 PolarHBondContact O-N 3.43Å
490F91Very high85.9Confident31 Ų3140.6 Ų40.614%0.13621%0.209CC..Hα-helixtrans-63.7-47.1178.5178.5-108.5000112.4C273 L276 C277 G486 V487 M488 M492 C494 L495C273-F490 HydrophobicContact CB-CB 3.85Å; C273-F490 HydrophobicContact CB-CG 4.28Å; L276-F490 HydrophobicContact CB-CD2 4.23Å; L276-F490 HydrophobicContact CB-CE2 3.84Å; L276-F490 HydrophobicContact CD1-CE2 4.36Å; L276-F490 HydrophobicContact CD1-CZ 4.27Å; C277-F490 WeakPolarHBondContact SG-CA 3.35Å; C277-F490 VanDerWaalsContact SG-CB 3.52Å; G486-F490 PolarHBondContact O-N 2.96Å; G486-F490 VanDerWaalsContact O-N 3.15Å; V487-F490 PolarHBondContact O-N 2.9Å; M488-F490 PolarHBondContact O-N 3.32Å; F490-M492 PolarHBondContact O-N 2.92Å; F490-C494 HydrophobicContact CD2-CB 3.8Å; F490-C494 HydrophobicContact CE2-CB 3.9Å; F490-C494 WeakPolarHBondContact O-CA 3.33Å; F490-C494 VanDerWaalsContact O-CB 3.23Å; F490-C494 WeakPolarHBondContact O-CB 3.3Å; F490-C494 PolarHBondContact O-N 2.76Å; F490-L495 HydrophobicContact CD1-CD1 4.11Å; F490-L495 HydrophobicContact CD1-CG 4.16Å; F490-L495 HydrophobicContact CE1-CD1 3.77Å; F490-L495 HydrophobicContact CE1-CD2 3.86Å; F490-L495 HydrophobicContact CE1-CG 3.78Å; F490-L495 HydrophobicContact CZ-CD2 3.89Å; F490-L495 HydrophobicContact CZ-CG 4.21Å; F490-L495 PolarHBondContact O-N 2.84Å; F490-L495 VanDerWaalsContact O-N 3.12Å
491V89.3Confident86Confident43 Ų4343.1 Ų43.126%0.26121%0.214SC..Iπ-helixtrans-61-48.2179.4173.20000110.6V487 M488 L495 F496V487-V491 HydrophobicContact CG1-CG2 4.44Å; V487-V491 WeakPolarHBondContact O-CG2 3.35Å; V487-V491 PolarHBondContact O-N 2.81Å; M488-V491 PolarHBondContact O-N 2.87Å; V491-L495 HydrophobicContact CG2-CD1 4.23Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 PolarHBondContact O-N 3.5Å; V491-F496 HydrophobicContact CG1-CD2 3.97Å; V491-F496 HydrophobicContact CG1-CE1 4.31Å; V491-F496 HydrophobicContact CG1-CE2 3.54Å; V491-F496 HydrophobicContact CG1-CZ 3.74Å; V491-F496 PolarHBondContact O-N 3.25Å
492M85.8Confident86.1Confident25 Ų2545.2 Ų45.212%0.12323%0.225CC..Iπ-helixtrans-74.5-45.1-174.4-67.8-58.4-63.700113.3T448 A451 I455 M488 F490 F496T448-M492 HydrophobicContact CG2-CE 3.93Å; A451-M492 HydrophobicContact CB-CE 3.66Å; A451-M492 HydrophobicContact CB-CG 4.05Å; A451-M492 HydrophobicContact CB-SD 3.58Å; A451-M492 VanDerWaalsContact CB-SD 3.58Å; I455-M492 HydrophobicContact CD1-CB 3.7Å; I455-M492 HydrophobicContact CD1-CG 3.67Å; M488-M492 WeakPolarHBondContact O-CB 3.19Å; M488-M492 VanDerWaalsContact O-CG 3.31Å; M488-M492 WeakPolarHBondContact O-CG 3.33Å; M488-M492 PolarHBondContact O-N 3.32Å; F490-M492 PolarHBondContact O-N 2.92Å; M492-F496 HydrophobicContact SD-CD2 3.7Å; M492-F496 HydrophobicContact SD-CE2 4.15Å
493H85.3Confident86.2Confident6 Ų646.7 Ų46.73%0.02823%0.227CC..Iπ-helixtrans-96.8-18.6-171.6-59.4-61.1000114.4F281 H295 E343 L489 S497F281-H493 HydrophobicContact CE2-CB 4.48Å; F281-H493 HydrophobicContact CZ-CB 3.8Å; H295-H493 AromaticContact CE1-CE1 3.42Å; H295-H493 PolarHBondContact CE1-CE1 3.39Å; H295-H493 VanDerWaalsContact CE1-CE1 3.42Å; H295-H493 AromaticContact CE1-ND1 3.64Å; H295-H493 AromaticContact CE1-NE2 3.85Å; H295-H493 AromaticContact NE2-CE1 3.81Å; H295-H493 AromaticContact NE2-ND1 3.58Å; E343-H493 IonicContact OE1-CE1 3.6Å; E343-H493 IonicContact OE1-NE2 3.77Å; L489-H493 WeakPolarHBondContact O-CB 3.38Å; L489-H493 PolarHBondContact O-CD2 2.88Å; L489-H493 PolarHBondContact O-N 3.43Å; H493-S497 WeakPolarHBondContact O-CB 3.29Å
494C86.7Confident86.1Confident0 Ų049.2 Ų49.20%024%0.236CC..Iπ-helixtrans-105.6-55.5174.3-57.80000111.9F490 V500F490-C494 HydrophobicContact CD2-CB 3.8Å; F490-C494 HydrophobicContact CE2-CB 3.9Å; F490-C494 WeakPolarHBondContact O-CA 3.33Å; F490-C494 VanDerWaalsContact O-CB 3.23Å; F490-C494 WeakPolarHBondContact O-CB 3.3Å; F490-C494 PolarHBondContact O-N 2.76Å; C494-V500 HydrophobicContact CB-CG1 4.27Å; C494-V500 WeakPolarHBondContact O-CB 3.4Å; C494-V500 WeakPolarHBondContact O-CG1 3.49Å
495L85.7Confident86Confident71 Ų7151.8 Ų51.837%0.37225%0.247SC..Iπ-helixtrans-75.3-42.3-173.1-58.9-177.8000113.6F490 V491 Y504F490-L495 HydrophobicContact CD1-CD1 4.11Å; F490-L495 HydrophobicContact CD1-CG 4.16Å; F490-L495 HydrophobicContact CE1-CD1 3.77Å; F490-L495 HydrophobicContact CE1-CD2 3.86Å; F490-L495 HydrophobicContact CE1-CG 3.78Å; F490-L495 HydrophobicContact CZ-CD2 3.89Å; F490-L495 HydrophobicContact CZ-CG 4.21Å; F490-L495 PolarHBondContact O-N 2.84Å; F490-L495 VanDerWaalsContact O-N 3.12Å; V491-L495 HydrophobicContact CG2-CD1 4.23Å; V491-L495 WeakPolarHBondContact O-CB 3.37Å; V491-L495 PolarHBondContact O-N 3.5Å; L495-Y504 HydrophobicContact CD2-CE2 4.5Å
496F81.9Confident85.8Confident135 Ų13554.9 Ų54.959%0.59226%0.264SS*.SBendtrans-89.2-7.7-179.5-65.3-16.6000113.8V491 M492 K498V491-F496 HydrophobicContact CG1-CD2 3.97Å; V491-F496 HydrophobicContact CG1-CE1 4.31Å; V491-F496 HydrophobicContact CG1-CE2 3.54Å; V491-F496 HydrophobicContact CG1-CZ 3.74Å; V491-F496 PolarHBondContact O-N 3.25Å; M492-F496 HydrophobicContact SD-CD2 3.7Å; M492-F496 HydrophobicContact SD-CE2 4.15Å; F496-K498 PolarHBondContact O-N 3.02Å
497S80.9Confident85.5Confident18 Ų1857.9 Ų57.913%0.12628%0.279CS..  trans-78.5108.8176.9-174.80000110.7H493 P499 V500 R501H493-S497 WeakPolarHBondContact O-CB 3.29Å; S497-P499 WeakPolarHBondContact OG-CD 3.38Å; S497-P499 WeakPolarHBondContact OG-CG 3.36Å; S497-V500 PolarHBondContact O-N 3.02Å; S497-R501 PolarHBondContact O-N 2.95Å
498K80Confident85.1Confident144 Ų14460.5 Ų60.563%0.62629%0.291SS*.Hα-helixtrans-44.2-53.2175.7-70-174.5178.1-174.40114.3F496 V500 R501 E502F496-K498 PolarHBondContact O-N 3.02Å; K498-V500 PolarHBondContact O-N 3.37Å; K498-R501 PolarHBondContact O-N 2.88Å; K498-E502 WeakPolarHBondContact O-CG 3.47Å; K498-E502 PolarHBondContact O-N 3.29Å
499P80.8Confident84.8Confident72 Ų7261 Ų6147%0.46830%0.299SS..Hα-helixtrans-65-25-17825.4-35.7000113.6I287 S497I287-P499 HydrophobicContact CG2-CB 4.47Å; S497-P499 WeakPolarHBondContact OG-CD 3.38Å; S497-P499 WeakPolarHBondContact OG-CG 3.36Å
500V83.5Confident84.3Confident1 Ų167.7 Ų67.71%0.00633%0.331CS..Hα-helixtrans-81.9-40.6176.6-179.70000110.6T280 F281 I287 C494 S497 K498 E503 Y504T280-V500 HydrophobicContact CG2-CG1 3.61Å; F281-V500 HydrophobicContact CE1-CG2 4.29Å; I287-V500 HydrophobicContact CD1-CG2 3.96Å; C494-V500 HydrophobicContact CB-CG1 4.27Å; C494-V500 WeakPolarHBondContact O-CB 3.4Å; C494-V500 WeakPolarHBondContact O-CG1 3.49Å; S497-V500 PolarHBondContact O-N 3.02Å; K498-V500 PolarHBondContact O-N 3.37Å; V500-E503 PolarHBondContact O-N 2.91Å; V500-Y504 HydrophobicContact CG1-CD1 4.19Å; V500-Y504 HydrophobicContact CG1-CD2 4.5Å; V500-Y504 HydrophobicContact CG1-CE1 3.8Å; V500-Y504 HydrophobicContact CG1-CE2 4.13Å; V500-Y504 PolarHBondContact O-N 3.41Å
501R85.1Confident83.7Confident116 Ų11672.4 Ų72.444%0.43836%0.357SS..Hα-helixtrans-63.5-43.3178.8-173.3176.367.4-163.62.9112.3S497 K498 E503 Y504 E505S497-R501 PolarHBondContact O-N 2.95Å; K498-R501 PolarHBondContact O-N 2.88Å; R501-E503 PolarHBondContact O-N 3.04Å; R501-Y504 PolarHBondContact O-N 3.46Å; R501-E505 WeakPolarHBondContact O-CG 3.24Å; R501-E505 PolarHBondContact O-N 3.03Å
502E84.9Confident82.8Confident110 Ų11080.1 Ų80.151%0.51438%0.381SS..Hα-helixtrans-58.2-40.5175.8-73.6167.9-166.200111.1K498 E505 N506K498-E502 WeakPolarHBondContact O-CG 3.47Å; K498-E502 PolarHBondContact O-N 3.29Å; E502-E505 PolarHBondContact O-N 3.18Å; E502-N506 PolarHBondContact O-N 2.83Å; E502-N506 PolarHBondContact O-ND2 3.37Å
503E85.4Confident81.6Confident49 Ų4982.3 Ų82.323%0.22940%0.403CS..Hα-helixtrans-73.4-36177-165.473164.600113I284 V500 R501 E505 N506 I507I284-E503 HydrophobicContact CD1-CB 4.47Å; I284-E503 HydrophobicContact CD1-CG 4.1Å; I284-E503 HydrophobicContact CG2-CB 4.39Å; I284-E503 HydrophobicContact CG2-CG 3.68Å; V500-E503 PolarHBondContact O-N 2.91Å; R501-E503 PolarHBondContact O-N 3.04Å; E503-E505 VanDerWaalsContact C-N 3.3Å; E503-E505 PolarHBondContact O-N 3.44Å; E503-N506 WeakPolarHBondContact O-CB 3.43Å; E503-N506 PolarHBondContact O-N 3.33Å; E503-N506 PolarHBondContact OE2-ND2 2.99Å; E503-N506 VanDerWaalsContact OE2-ND2 3.14Å; E503-I507 HydrophobicContact CG-CD1 4.05Å; E503-I507 HydrophobicContact CG-CG1 4.46Å; E503-I507 WeakPolarHBondContact O-CB 3.43Å; E503-I507 VanDerWaalsContact O-CG1 3.28Å; E503-I507 WeakPolarHBondContact O-CG1 3.26Å; E503-I507 PolarHBondContact O-N 3Å
504Y86.1Confident80Confident58 Ų5887.1 Ų87.123%0.22744%0.435CS..Hα-helixtrans-59.8-42.9171.2-76.51.6000111.3T280 I284 L495 V500 R501 N506 I507 L508T280-Y504 HydrophobicContact CG2-CE1 3.76Å; T280-Y504 WeakPolarHBondContact CG2-OH 3.28Å; T280-Y504 PolarHBondContact OG1-OH 3.4Å; I284-Y504 HydrophobicContact CD1-CD1 4.33Å; I284-Y504 HydrophobicContact CD1-CE1 4.07Å; L495-Y504 HydrophobicContact CD2-CE2 4.5Å; V500-Y504 HydrophobicContact CG1-CD1 4.19Å; V500-Y504 HydrophobicContact CG1-CD2 4.5Å; V500-Y504 HydrophobicContact CG1-CE1 3.8Å; V500-Y504 HydrophobicContact CG1-CE2 4.13Å; V500-Y504 PolarHBondContact O-N 3.41Å; R501-Y504 PolarHBondContact O-N 3.46Å; Y504-N506 VanDerWaalsContact C-N 3.35Å; Y504-I507 PolarHBondContact O-N 2.95Å; Y504-L508 VanDerWaalsContact O-CB 3.25Å; Y504-L508 WeakPolarHBondContact O-CB 3.21Å; Y504-L508 WeakPolarHBondContact O-CD1 3.41Å; Y504-L508 PolarHBondContact O-N 2.99Å
505E85.1Confident78.3Confident115 Ų11597.5 Ų97.554%0.53747%0.474SS..Hα-helixtrans-63.3-38.9174.5-72.6175.7-167.800111.9R501 E502 E503 S509R501-E505 WeakPolarHBondContact O-CG 3.24Å; R501-E505 PolarHBondContact O-N 3.03Å; E502-E505 PolarHBondContact O-N 3.18Å; E503-E505 VanDerWaalsContact C-N 3.3Å; E503-E505 PolarHBondContact O-N 3.44Å; E505-S509 VanDerWaalsContact O-CB 3.26Å; E505-S509 WeakPolarHBondContact O-CB 3.41Å; E505-S509 PolarHBondContact O-N 2.8Å; E505-S509 PolarHBondContact O-OG 3.08Å
506N84Confident76.1Confident75 Ų75103.2 Ų103.240%0.40150%0.496SS..Hα-helixtrans-63.1-45.3173.1-70.9-23.1000112E502 E503 Y504 S509 Q510E502-N506 PolarHBondContact O-N 2.83Å; E502-N506 PolarHBondContact O-ND2 3.37Å; E503-N506 WeakPolarHBondContact O-CB 3.43Å; E503-N506 PolarHBondContact O-N 3.33Å; E503-N506 PolarHBondContact OE2-ND2 2.99Å; E503-N506 VanDerWaalsContact OE2-ND2 3.14Å; Y504-N506 VanDerWaalsContact C-N 3.35Å; N506-S509 WeakPolarHBondContact CA-OG 3.35Å; N506-S509 PolarHBondContact O-N 2.92Å; N506-S509 PolarHBondContact O-OG 2.93Å; N506-Q510 WeakPolarHBondContact O-CB 3.23Å; N506-Q510 VanDerWaalsContact O-CG 3.24Å; N506-Q510 WeakPolarHBondContact O-CG 3.36Å; N506-Q510 PolarHBondContact O-N 3.36Å
507I83.4Confident74.3Confident64 Ų64107.4 Ų107.433%0.32851%0.508SS..Hα-helixtrans-67.5-42.8178.7-67.2165.5000110.6I284 E503 Y504 Q510 L511I284-I507 HydrophobicContact CD1-CD1 4.35Å; E503-I507 HydrophobicContact CG-CD1 4.05Å; E503-I507 HydrophobicContact CG-CG1 4.46Å; E503-I507 WeakPolarHBondContact O-CB 3.43Å; E503-I507 VanDerWaalsContact O-CG1 3.28Å; E503-I507 WeakPolarHBondContact O-CG1 3.26Å; E503-I507 PolarHBondContact O-N 3Å; Y504-I507 PolarHBondContact O-N 2.95Å; I507-Q510 PolarHBondContact O-N 3.01Å; I507-L511 HydrophobicContact CG2-CD1 3.82Å; I507-L511 WeakPolarHBondContact O-CB 3.27Å; I507-L511 WeakPolarHBondContact O-CG 3.13Å; I507-L511 PolarHBondContact O-N 3.28Å
508L84.3Confident72.1Confident85 Ų85111.1 Ų111.145%0.44553%0.53SS..Hα-helixtrans-64.9-38.4176.3-91.5145.9000112.3Y504 L511 R512Y504-L508 VanDerWaalsContact O-CB 3.25Å; Y504-L508 WeakPolarHBondContact O-CB 3.21Å; Y504-L508 WeakPolarHBondContact O-CD1 3.41Å; Y504-L508 PolarHBondContact O-N 2.99Å; L508-L511 PolarHBondContact O-N 3.46Å; L508-R512 WeakPolarHBondContact O-CB 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.46Å; L508-R512 PolarHBondContact O-N 3.36Å
509S82.1Confident70.5Confident61 Ų61115.5 Ų115.543%0.42754%0.544SS..Hα-helixtrans-70.1-37.9175.658.90000111.8E505 N506 R512 A513E505-S509 VanDerWaalsContact O-CB 3.26Å; E505-S509 WeakPolarHBondContact O-CB 3.41Å; E505-S509 PolarHBondContact O-N 2.8Å; E505-S509 PolarHBondContact O-OG 3.08Å; N506-S509 WeakPolarHBondContact CA-OG 3.35Å; N506-S509 PolarHBondContact O-N 2.92Å; N506-S509 PolarHBondContact O-OG 2.93Å; S509-R512 PolarHBondContact O-N 3.38Å; S509-A513 WeakPolarHBondContact O-CB 3.47Å; S509-A513 PolarHBondContact O-N 3.46Å
510Q78.8Confident68.3Low143 Ų143116.4 Ų116.467%0.66855%0.552SS**Hα-helixtrans-65.2-38171.5-72.1175.717.500112.6N506 I507 A513N506-Q510 WeakPolarHBondContact O-CB 3.23Å; N506-Q510 VanDerWaalsContact O-CG 3.24Å; N506-Q510 WeakPolarHBondContact O-CG 3.36Å; N506-Q510 PolarHBondContact O-N 3.36Å; I507-Q510 PolarHBondContact O-N 3.01Å; Q510-A513 CarbonylContact O-C 3.52Å; Q510-A513 PolarHBondContact O-N 3.3Å
511L78.1Confident66.1Low129 Ų129123.6 Ų123.668%0.67559%0.585SS**Hα-helixtrans-73.1-29.7175.4-77.6165.3000113.5I507 L508 P514I507-L511 HydrophobicContact CG2-CD1 3.82Å; I507-L511 WeakPolarHBondContact O-CB 3.27Å; I507-L511 WeakPolarHBondContact O-CG 3.13Å; I507-L511 PolarHBondContact O-N 3.28Å; L508-L511 PolarHBondContact O-N 3.46Å; L511-P514 WeakPolarHBondContact O-CD 3.41Å
512R71.4Confident63.8Low206 Ų206127.6 Ų127.678%0.77761%0.606SS**Hα-helixtrans-81.9-17.6172.2-75.7-177.2-165.7166.85.6113.3L508 S509 P514L508-R512 WeakPolarHBondContact O-CB 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.46Å; L508-R512 PolarHBondContact O-N 3.36Å; S509-R512 PolarHBondContact O-N 3.38Å; R512-P514 WeakPolarHBondContact O-CD 3.39Å
513A60.5Low61.3Low71 Ų71128.7 Ų128.759%0.58762%0.616SS**  trans-107.951.8175.600000113.9S509 Q510 R515S509-A513 WeakPolarHBondContact O-CB 3.47Å; S509-A513 PolarHBondContact O-N 3.46Å; Q510-A513 CarbonylContact O-C 3.52Å; Q510-A513 PolarHBondContact O-N 3.3Å; A513-R515 PolarHBondContact O-N 3.24Å
514P52.1Low58.9Low106 Ų106136.6 Ų136.669%0.68865%0.645SS**  trans-74.7103.7167.330.3-24.3000108.2L511 R512L511-P514 WeakPolarHBondContact O-CD 3.41Å; R512-P514 WeakPolarHBondContact O-CD 3.39Å
515R51.2Low56.4Low219 Ų219138.8 Ų138.883%0.82667%0.669SS**  trans86.183.6163.6-150.2178.3-167.8157.31117.4A513A513-R515 PolarHBondContact O-N 3.24Å
516K39Very low54Low191 Ų191138.2 Ų138.283%0.8368%0.678SS**  -112.191.7123-87.8-173.2179.3-1790108.3T518K516-T518 PolarHBondContact O-N 3.27Å
517R43.6Very low51.5Low223 Ų223144.6 Ų144.684%0.84270%0.702SS**  trans-66.391.7144.2-83.5-169.7179.6177.60.3104.6Y519R517-Y519 VanDerWaalsContact C-N 3.34Å; R517-Y519 PolarHBondContact O-N 3.15Å
518T34.7Very low49.2Very low95 Ų95145.8 Ų145.858%0.58372%0.721SS**  trans-67102.3165.8-58.70000106.2K516 S520K516-T518 PolarHBondContact O-N 3.27Å; T518-S520 WeakPolarHBondContact CG2-OG 3.39Å; T518-S520 PolarHBondContact O-N 3.15Å
519Y45.7Very low46.8Very low237 Ų237149.8 Ų149.893%0.92974%0.743SS**  trans-64.6110.1149.6-127.4-96.1000105.3R517R517-Y519 VanDerWaalsContact C-N 3.34Å; R517-Y519 PolarHBondContact O-N 3.15Å
520S36.5Very low44.5Very low90 Ų90151.5 Ų151.563%0.62976%0.761SS**  trans-13891.1162.748.50000107.3T518T518-S520 WeakPolarHBondContact CG2-OG 3.39Å; T518-S520 PolarHBondContact O-N 3.15Å
521E35.6Very low42.3Very low152 Ų152150.2 Ų150.271%0.7177%0.767SS**  trans49.7104.6141.6-66177.9168.400118.8N523E521-N523 VanDerWaalsContact C-N 3.25Å; E521-N523 PolarHBondContact O-N 3.33Å
522F37.7Very low40.1Very low200 Ų200155.2 Ų155.288%0.87778%0.777SS**  trans-61.689.9143-113.7-90.8000108.4Y524F522-Y524 HydrophobicContact CD1-CD2 4.43Å; F522-Y524 PolarHBondContact O-N 2.89Å
523N32.2Very low38.2Very low134 Ų134150 Ų15072%0.71777%0.773SS**  trans-83.294.9160.6-95.9-24.7000108.6E521E521-N523 VanDerWaalsContact C-N 3.25Å; E521-N523 PolarHBondContact O-N 3.33Å
524Y35.2Very low36.8Very low215 Ų215152.3 Ų152.384%0.84378%0.78SS**  trans-59.7126.4151-116.4-97.5000107.6F522F522-Y524 HydrophobicContact CD1-CD2 4.43Å; F522-Y524 PolarHBondContact O-N 2.89Å
525S33.6Very low35.9Very low103 Ų103155.4 Ų155.472%0.7279%0.785SS**  trans-137.1132.1160.9-173.30000111.6
526S33.9Very low35.1Very low104 Ų104151.1 Ų151.173%0.72778%0.779SS**  trans77.682158.361.70000118.8
527K32.5Very low35Very low208 Ų208148 Ų14890%0.90478%0.776SS**  trans-78.299.2133.1-92.8-176.1176.4177.70107.8
528A35.5Very low34.6Very low89 Ų89141.2 Ų141.274%0.73678%0.775SS**  trans-81.3113.3160.500000108A530A528-A530 PolarHBondContact O-N 3.5Å
529N33.5Very low34.5Very low170 Ų170145.5 Ų145.591%0.90979%0.789SS**  trans-84.1102.1159.6-89.2-12.2000107.3
530A33.6Very low33.9Very low97 Ų97138.4 Ų138.480%0.80277%0.773SS**  trans-110.4132.6155.200000107.5A528A528-A530 PolarHBondContact O-N 3.5Å
531S32.7Very low33.8Very low115 Ų115142.1 Ų142.180%0.80478%0.78SS**  trans-86.4155.5-174.845.80000111.7
532R32.3Very low33.9Very low234 Ų234145.9 Ų145.988%0.88380%0.803SS**  trans81105.6159.2-80.6-179.8166.2166.9-4120.7
533S30.3Very low33.7Very low97 Ų97143.2 Ų143.268%0.67880%0.8SS**  23.1120.1123.766.80000119.8
534T32Very low33.8Very low120 Ų120143.7 Ų143.774%0.73680%0.804SS**  176.2126.3108.622.50000106.8
535Q33Very low33.7Very low170 Ų170139.7 Ų139.779%0.79480%0.802SS**  57.2122101.1-129.3175.1-14.200110.9
536D33.5Very low33.7Very low130 Ų130141.9 Ų141.970%0.69581%0.807SS**  cis-169.2164.738.4-146.5-28.1000109.1
537T37.3Very low33.7Very low125 Ų125144.3 Ų144.377%0.76781%0.812SS**PPolyproline II helixtrans-59.2149.5175.831.40000114.2
538G35.7Very low33.8Very low81 Ų81140 Ų14084%0.83581%0.805SS**PPolyproline II helixtrans-66.4131.617200000112.2
539E32.7Very low33.7Very low185 Ų185143.6 Ų143.686%0.86481%0.81SS**PPolyproline II helixtrans-95.7124.5157-94.6-173.7155.500109.8
540S32.7Very low33.7Very low87 Ų87141.6 Ų141.661%0.60880%0.803SS**  trans12.1150.5134.7610000122.1
541H33.5Very low33.7Very low168 Ų168145.3 Ų145.378%0.77880%0.803SS**  trans112.1119.8137.6-85.5-67000118.9
542I38.7Very low33.8Very low232 Ų232148.1 Ų148.1100%1.1980%0.803SS**  trans91.40149.4-59160.7000116.5

Retrieved 542 of 542 residues in 1507.4 ms (Link to these results)

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