X2JI61_DROME Loading...

Brivido-3, isoform C

AlphaFold DB , UniProt , Accession X2JI61, Species DROME (Drosophila melanogaster, Fruit fly), Gene brv3, Length 750 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
1M50.3Low75Confident154 Ų154128.1 Ų128.176%0.75961%0.611SS**  0-25.30-107.7-172.6-168.700117.6V3 E90M1-V3 PolarHBondContact O-N 2.83Å; M1-E90 PolarHBondContact N-OE2 2.99Å
2K61.2Low76.1Confident168 Ų168122.3 Ų122.373%0.7360%0.6SS**Hα-helixtrans-63.6-38.8-171.7-73.5172.2-180163.60115K4 K5 T6K2-K4 PolarHBondContact O-N 3.36Å; K2-K5 PolarHBondContact O-N 2.84Å; K2-T6 PolarHBondContact O-N 2.89Å; K2-T6 VanDerWaalsContact O-N 3.07Å
3V66.3Low77.3Confident95 Ų95120.4 Ų120.458%0.57659%0.592SS**Hα-helixtrans-66.3-35.8-176.8-1790000113M1 T6 H7M1-V3 PolarHBondContact O-N 2.83Å; V3-T6 WeakPolarHBondContact CA-OG1 3.23Å; V3-T6 PolarHBondContact O-N 2.86Å; V3-T6 PolarHBondContact O-OG1 2.94Å; V3-H7 WeakPolarHBondContact CG1-NE2 3.29Å; V3-H7 PolarHBondContact O-CD2 3.4Å; V3-H7 PolarHBondContact O-N 2.96Å
4K71.8Confident78.2Confident158 Ų158116.4 Ų116.469%0.68758%0.578SS**Hα-helixtrans-66.3-39.2174.1-78.4-177-179.41740111.8K2 H7 W8K2-K4 PolarHBondContact O-N 3.36Å; K4-H7 PolarHBondContact O-N 3.01Å; K4-W8 WeakPolarHBondContact O-CB 3.23Å; K4-W8 VanDerWaalsContact O-CD1 3.31Å; K4-W8 PolarHBondContact O-N 3.16Å
5K77.7Confident79Confident147 Ų147112.1 Ų112.164%0.63956%0.56SS**Hα-helixtrans-64.7-40177.3-68.4-174.2178.3-1770111.1K2 W8 A9K2-K5 PolarHBondContact O-N 2.84Å; K5-W8 PolarHBondContact O-N 3.08Å; K5-A9 WeakPolarHBondContact O-CB 3.31Å; K5-A9 PolarHBondContact O-N 3.38Å
6T79.1Confident79.9Confident82 Ų82107.6 Ų107.650%0.50355%0.552SS.*Hα-helixtrans-66.9-43.1175.855.50000112.1K2 V3 W8 A9 M10K2-T6 PolarHBondContact O-N 2.89Å; K2-T6 VanDerWaalsContact O-N 3.07Å; V3-T6 WeakPolarHBondContact CA-OG1 3.23Å; V3-T6 PolarHBondContact O-N 2.86Å; V3-T6 PolarHBondContact O-OG1 2.94Å; T6-W8 PolarHBondContact O-N 3.18Å; T6-A9 PolarHBondContact O-N 2.85Å; T6-M10 VanDerWaalsContact O-CG 3.27Å; T6-M10 WeakPolarHBondContact O-CG 3.49Å; T6-M10 PolarHBondContact O-N 2.9Å
7H79.3Confident80.6Confident124 Ų124107.4 Ų107.457%0.57455%0.551SS**Hα-helixtrans-63.6-40175-71.8-58.5000113.1V3 K4 M10 F11V3-H7 WeakPolarHBondContact CG1-NE2 3.29Å; V3-H7 PolarHBondContact O-CD2 3.4Å; V3-H7 PolarHBondContact O-N 2.96Å; K4-H7 PolarHBondContact O-N 3.01Å; H7-M10 PolarHBondContact O-N 3.48Å; H7-F11 WeakPolarHBondContact O-CB 3.43Å; H7-F11 PolarHBondContact O-N 3.36Å
8W80.8Confident81.1Confident187 Ų187107.3 Ų107.371%0.70855%0.55SS**Hα-helixtrans-65.5-39.8174.1-9389.1000112.3K4 K5 T6 F11 A12K4-W8 WeakPolarHBondContact O-CB 3.23Å; K4-W8 VanDerWaalsContact O-CD1 3.31Å; K4-W8 PolarHBondContact O-N 3.16Å; K5-W8 PolarHBondContact O-N 3.08Å; T6-W8 PolarHBondContact O-N 3.18Å; W8-F11 PolarHBondContact O-N 2.85Å; W8-A12 WeakPolarHBondContact O-CB 3.37Å; W8-A12 PolarHBondContact O-N 2.93Å
9A84.8Confident81.6Confident48 Ų48106.4 Ų106.440%0.39755%0.546SS..Hα-helixtrans-63.5-46174.500000111.4K5 T6 F11 A12 I13K5-A9 WeakPolarHBondContact O-CB 3.31Å; K5-A9 PolarHBondContact O-N 3.38Å; T6-A9 PolarHBondContact O-N 2.85Å; A9-F11 VanDerWaalsContact C-N 3.34Å; A9-F11 PolarHBondContact O-N 3.14Å; A9-A12 PolarHBondContact O-N 3.34Å; A9-I13 WeakPolarHBondContact O-CB 3.05Å; A9-I13 VanDerWaalsContact O-CG1 3.23Å; A9-I13 WeakPolarHBondContact O-CG1 3.49Å; A9-I13 PolarHBondContact O-N 3.33Å
10M85.3Confident82.2Confident121 Ų121102.7 Ų102.760%0.59653%0.534SS*.Hα-helixtrans-61.2-42.1175.8-69-64.2-72.300111.8T6 H7 I13 T14T6-M10 VanDerWaalsContact O-CG 3.27Å; T6-M10 WeakPolarHBondContact O-CG 3.49Å; T6-M10 PolarHBondContact O-N 2.9Å; H7-M10 PolarHBondContact O-N 3.48Å; M10-I13 PolarHBondContact O-N 3.27Å; M10-T14 WeakPolarHBondContact O-CG2 3.2Å; M10-T14 PolarHBondContact O-N 3.45Å; M10-T14 PolarHBondContact O-OG1 2.94Å
11F88.1Confident82.5Confident125 Ų125101 Ų10155%0.54853%0.531SS..Hα-helixtrans-64-42.4174.8179.5-100.3000112.2H7 W8 A9 T14 V15H7-F11 WeakPolarHBondContact O-CB 3.43Å; H7-F11 PolarHBondContact O-N 3.36Å; W8-F11 PolarHBondContact O-N 2.85Å; A9-F11 VanDerWaalsContact C-N 3.34Å; A9-F11 PolarHBondContact O-N 3.14Å; F11-T14 WeakPolarHBondContact CA-OG1 3.4Å; F11-T14 PolarHBondContact O-N 3.17Å; F11-T14 PolarHBondContact O-OG1 2.86Å; F11-V15 HydrophobicContact CD1-CG2 4.22Å; F11-V15 HydrophobicContact CD2-CG2 4.26Å; F11-V15 HydrophobicContact CE1-CG2 3.84Å; F11-V15 HydrophobicContact CE2-CG2 3.88Å; F11-V15 HydrophobicContact CG-CG2 4.42Å; F11-V15 HydrophobicContact CZ-CG2 3.65Å; F11-V15 WeakPolarHBondContact O-CB 3.49Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.17Å
12A89Confident84.1Confident58 Ų5899.4 Ų99.448%0.47952%0.523SS..Hα-helixtrans-65.1-39.817700000111.8W8 A9 G16W8-A12 WeakPolarHBondContact O-CB 3.37Å; W8-A12 PolarHBondContact O-N 2.93Å; A9-A12 PolarHBondContact O-N 3.34Å; A12-G16 PolarHBondContact O-N 2.93Å
13I91.7Very high85.4Confident98 Ų9896 Ų9650%0.50351%0.512SS..Hα-helixtrans-64.5-47.4175.5-68.3163.5000110.5A9 M10 G16 I17A9-I13 WeakPolarHBondContact O-CB 3.05Å; A9-I13 VanDerWaalsContact O-CG1 3.23Å; A9-I13 WeakPolarHBondContact O-CG1 3.49Å; A9-I13 PolarHBondContact O-N 3.33Å; M10-I13 PolarHBondContact O-N 3.27Å; I13-G16 PolarHBondContact O-N 2.91Å; I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 HydrophobicContact CG2-CG1 4.47Å; I13-I17 VanDerWaalsContact O-CG1 3.29Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.85Å
14T89.4Confident86.4Confident65 Ų6594.8 Ų94.840%0.39951%0.507SS..Hα-helixtrans-65.7-42.3-179.954.90000112M10 F11 G16 I17 I18M10-T14 WeakPolarHBondContact O-CG2 3.2Å; M10-T14 PolarHBondContact O-N 3.45Å; M10-T14 PolarHBondContact O-OG1 2.94Å; F11-T14 WeakPolarHBondContact CA-OG1 3.4Å; F11-T14 PolarHBondContact O-N 3.17Å; F11-T14 PolarHBondContact O-OG1 2.86Å; T14-G16 VanDerWaalsContact C-N 3.32Å; T14-I17 PolarHBondContact O-N 2.97Å; T14-I18 VanDerWaalsContact O-CG1 3.26Å; T14-I18 WeakPolarHBondContact O-CG1 2.97Å; T14-I18 PolarHBondContact O-N 3.2Å
15V90.8Very high86.9Confident51 Ų5192.1 Ų92.131%0.30950%0.499SS..Hα-helixtrans-63-41.1173.7171.30000110.7F11 I18 I19F11-V15 HydrophobicContact CD1-CG2 4.22Å; F11-V15 HydrophobicContact CD2-CG2 4.26Å; F11-V15 HydrophobicContact CE1-CG2 3.84Å; F11-V15 HydrophobicContact CE2-CG2 3.88Å; F11-V15 HydrophobicContact CG-CG2 4.42Å; F11-V15 HydrophobicContact CZ-CG2 3.65Å; F11-V15 WeakPolarHBondContact O-CB 3.49Å; F11-V15 WeakPolarHBondContact O-CG2 3.33Å; F11-V15 PolarHBondContact O-N 3.17Å; V15-I18 PolarHBondContact O-N 3.14Å; V15-I19 HydrophobicContact CG1-CD1 3.62Å; V15-I19 HydrophobicContact CG1-CG1 4.27Å; V15-I19 WeakPolarHBondContact O-CB 3.39Å; V15-I19 VanDerWaalsContact O-CG1 3.27Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 2.92Å
16G92.2Very high87.1Confident41 Ų4186.7 Ų86.742%0.42348%0.481SS..Hα-helixtrans-60.8-43.7175.400000112.8A12 I13 T14 I19 G20A12-G16 PolarHBondContact O-N 2.93Å; I13-G16 PolarHBondContact O-N 2.91Å; T14-G16 VanDerWaalsContact C-N 3.32Å; G16-I19 PolarHBondContact O-N 2.81Å; G16-G20 PolarHBondContact O-N 3.37Å
17I92.3Very high87.3Confident104 Ų10487.9 Ų87.953%0.53349%0.488SS..Hα-helixtrans-63.2-46.3174.8-67.5164.7000110.4I13 T14 I19 G20 C21I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 HydrophobicContact CG2-CG1 4.47Å; I13-I17 VanDerWaalsContact O-CG1 3.29Å; I13-I17 WeakPolarHBondContact O-CG1 3.49Å; I13-I17 PolarHBondContact O-N 2.85Å; T14-I17 PolarHBondContact O-N 2.97Å; I17-I19 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 3.4Å; I17-C21 WeakPolarHBondContact O-CB 3.24Å; I17-C21 PolarHBondContact O-N 2.86Å; I17-C21 PolarHBondContact O-SG 3.32Å
18I89.4Confident87.4Confident105 Ų10590.6 Ų90.654%0.53850%0.499SS..Hα-helixtrans-61.1-46.9179-68.8163.9000110.7T14 V15 G20 C21 M22T14-I18 VanDerWaalsContact O-CG1 3.26Å; T14-I18 WeakPolarHBondContact O-CG1 2.97Å; T14-I18 PolarHBondContact O-N 3.2Å; V15-I18 PolarHBondContact O-N 3.14Å; I18-G20 VanDerWaalsContact C-N 3.35Å; I18-C21 PolarHBondContact O-N 3.31Å; I18-M22 HydrophobicContact CG2-CG 4.41Å; I18-M22 WeakPolarHBondContact O-CB 3.37Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.17Å; I18-M22 PolarHBondContact O-N 3.4Å
19I91.1Very high87Confident91 Ų9183.6 Ų83.647%0.46748%0.481SS..Hα-helixtrans-63.1-43.6177.5-68.8170.3000110.2V15 G16 I17 C21 M22 I23V15-I19 HydrophobicContact CG1-CD1 3.62Å; V15-I19 HydrophobicContact CG1-CG1 4.27Å; V15-I19 WeakPolarHBondContact O-CB 3.39Å; V15-I19 VanDerWaalsContact O-CG1 3.27Å; V15-I19 WeakPolarHBondContact O-CG1 3.49Å; V15-I19 PolarHBondContact O-N 2.92Å; G16-I19 PolarHBondContact O-N 2.81Å; I17-I19 PolarHBondContact O-N 3.05Å; I19-C21 PolarHBondContact O-N 3.34Å; I19-M22 PolarHBondContact O-N 3.24Å; I19-I23 HydrophobicContact CG2-CD1 3.67Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 VanDerWaalsContact O-CG1 3.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.26Å
20G92.4Very high86.6Confident31 Ų3182.9 Ų82.932%0.3248%0.478SS..Hα-helixtrans-58.1-47.1175.500000112.3G16 I17 I18 M22 I23 C24G16-G20 PolarHBondContact O-N 3.37Å; I17-G20 PolarHBondContact O-N 3.4Å; I18-G20 VanDerWaalsContact C-N 3.35Å; G20-M22 PolarHBondContact O-N 2.91Å; G20-I23 PolarHBondContact O-N 2.85Å; G20-C24 WeakPolarHBondContact O-CB 3.4Å; G20-C24 PolarHBondContact O-N 2.92Å; G20-C24 PolarHBondContact O-SG 2.92Å
21C88.7Confident86.1Confident69 Ų6986 Ų8647%0.46649%0.489SS..Hα-helixtrans-61.2-44.1174.2-69.50000111.9I17 I18 I19 I23 C24 I25I17-C21 WeakPolarHBondContact O-CB 3.24Å; I17-C21 PolarHBondContact O-N 2.86Å; I17-C21 PolarHBondContact O-SG 3.32Å; I18-C21 PolarHBondContact O-N 3.31Å; I19-C21 PolarHBondContact O-N 3.34Å; C21-I23 PolarHBondContact O-N 3.43Å; C21-C24 PolarHBondContact O-N 2.79Å; C21-I25 WeakPolarHBondContact O-CB 3.25Å; C21-I25 WeakPolarHBondContact O-CD1 3.37Å; C21-I25 WeakPolarHBondContact O-CG1 3.39Å; C21-I25 PolarHBondContact O-N 3.46Å
22M85.1Confident85.7Confident119 Ų11989.3 Ų89.359%0.58651%0.506SS*.Hα-helixtrans-63.8-39.4177.9-73.7-63.1-64.800112.5I18 I19 G20 I25 A26I18-M22 HydrophobicContact CG2-CG 4.41Å; I18-M22 WeakPolarHBondContact O-CB 3.37Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.17Å; I18-M22 PolarHBondContact O-N 3.4Å; I19-M22 PolarHBondContact O-N 3.24Å; G20-M22 PolarHBondContact O-N 2.91Å; M22-I25 PolarHBondContact O-N 3.27Å; M22-A26 VanDerWaalsContact O-CB 3.31Å; M22-A26 WeakPolarHBondContact O-CB 3.33Å; M22-A26 PolarHBondContact O-N 2.96Å
23I88.4Confident85Confident98 Ų9889 Ų8950%0.50350%0.495SS..Hα-helixtrans-66.5-47.1175.2-68.6167.8000110I19 G20 C21 I25 A26 V27I19-I23 HydrophobicContact CG2-CD1 3.67Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 VanDerWaalsContact O-CG1 3.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.45Å; I19-I23 PolarHBondContact O-N 3.26Å; G20-I23 PolarHBondContact O-N 2.85Å; C21-I23 PolarHBondContact O-N 3.43Å; I23-I25 VanDerWaalsContact C-N 3.31Å; I23-I25 PolarHBondContact O-N 3.18Å; I23-A26 PolarHBondContact O-N 3.3Å; I23-V27 HydrophobicContact CG2-CG2 4.17Å; I23-V27 WeakPolarHBondContact O-CB 3.34Å; I23-V27 VanDerWaalsContact O-CG2 3.28Å; I23-V27 WeakPolarHBondContact O-CG2 3.36Å; I23-V27 PolarHBondContact O-N 2.97Å
24C86.7Confident84.6Confident68 Ų6890.2 Ų90.246%0.45950%0.498SS..Hα-helixtrans-57.7-45.5175.8-71.80000111.2G20 C21 V27 F28G20-C24 WeakPolarHBondContact O-CB 3.4Å; G20-C24 PolarHBondContact O-N 2.92Å; G20-C24 PolarHBondContact O-SG 2.92Å; C21-C24 PolarHBondContact O-N 2.79Å; C24-V27 PolarHBondContact O-N 3.47Å; C24-F28 HydrophobicContact CB-CD2 4.41Å; C24-F28 WeakPolarHBondContact O-CB 3.41Å; C24-F28 VanDerWaalsContact O-CD2 3.26Å; C24-F28 WeakPolarHBondContact O-CD2 3.39Å; C24-F28 PolarHBondContact O-N 3.38Å
25I81.7Confident84.1Confident103 Ų10392 Ų9253%0.52851%0.505SS..Hα-helixtrans-60.9-47.7176.4-68.4162.9000110.3C21 M22 I23 V27 A29C21-I25 WeakPolarHBondContact O-CB 3.25Å; C21-I25 WeakPolarHBondContact O-CD1 3.37Å; C21-I25 WeakPolarHBondContact O-CG1 3.39Å; C21-I25 PolarHBondContact O-N 3.46Å; M22-I25 PolarHBondContact O-N 3.27Å; I23-I25 VanDerWaalsContact C-N 3.31Å; I23-I25 PolarHBondContact O-N 3.18Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 2.82Å; I25-A29 WeakPolarHBondContact O-CA 3.41Å; I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 3.24Å
26A82.3Confident83.6Confident32 Ų3292.4 Ų92.426%0.26451%0.507SS..Hα-helixtrans-62.4-39-18000000112.9M22 I23 G30 F31M22-A26 VanDerWaalsContact O-CB 3.31Å; M22-A26 WeakPolarHBondContact O-CB 3.33Å; M22-A26 PolarHBondContact O-N 2.96Å; I23-A26 PolarHBondContact O-N 3.3Å; A26-G30 WeakPolarHBondContact O-CA 3.16Å; A26-G30 PolarHBondContact O-N 2.73Å; A26-G30 VanDerWaalsContact O-N 3.12Å; A26-F31 HydrophobicContact CB-CE2 4.13Å; A26-F31 HydrophobicContact CB-CZ 3.85Å
27V83.8Confident83.1Confident108 Ų10895.9 Ų95.966%0.65551%0.511SS*.Hα-helixtrans-74.1-45.4-179.7172.50000111.7I23 C24 I25I23-V27 HydrophobicContact CG2-CG2 4.17Å; I23-V27 WeakPolarHBondContact O-CB 3.34Å; I23-V27 VanDerWaalsContact O-CG2 3.28Å; I23-V27 WeakPolarHBondContact O-CG2 3.36Å; I23-V27 PolarHBondContact O-N 2.97Å; C24-V27 PolarHBondContact O-N 3.47Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 2.82Å
28F80.5Confident82.6Confident181 Ų18195.4 Ų95.479%0.79451%0.505SS*.Hα-helixtrans-82-34.9-175.9-77.3-71.6000113.5C24C24-F28 HydrophobicContact CB-CD2 4.41Å; C24-F28 WeakPolarHBondContact O-CB 3.41Å; C24-F28 VanDerWaalsContact O-CD2 3.26Å; C24-F28 WeakPolarHBondContact O-CD2 3.39Å; C24-F28 PolarHBondContact O-N 3.38Å
29A73.6Confident82.3Confident40 Ų4091.3 Ų91.333%0.33148%0.483SS..Hα-helixtrans-84.9-35.1178.700000111.9I25 H33I25-A29 WeakPolarHBondContact O-CA 3.41Å; I25-A29 WeakPolarHBondContact O-CB 3.39Å; I25-A29 PolarHBondContact O-N 3.24Å; A29-H33 PolarHBondContact O-CE1 2.91Å
30G75.9Confident81.9Confident33 Ų3390 Ų9034%0.3448%0.48SS..  trans73.5174.1-167.300000112.3A26 H33A26-G30 WeakPolarHBondContact O-CA 3.16Å; A26-G30 PolarHBondContact O-N 2.73Å; A26-G30 VanDerWaalsContact O-N 3.12Å; G30-H33 PolarHBondContact O-NE2 3.45Å
31F75.9Confident81.3Confident187 Ų18792.1 Ų92.182%0.8248%0.482SS*.SBendtrans-102.2-13.3-179.9-70.8-76.2000113.9A26A26-F31 HydrophobicContact CB-CE2 4.13Å; A26-F31 HydrophobicContact CB-CZ 3.85Å
32Q78.5Confident80.9Confident194 Ų19490.1 Ų90.191%0.90747%0.467SS*.  trans-102.998.5-179.9-70.2-176.6-14.600109.1
33H74.8Confident80.7Confident52 Ų5286.4 Ų86.424%0.24145%0.451CS..  trans-111143.7172.7-66.6-57.4000109.9A29 G30 F38 M41A29-H33 PolarHBondContact O-CE1 2.91Å; G30-H33 PolarHBondContact O-NE2 3.45Å; H33-F38 HydrophobicContact CB-CB 4.05Å; H33-M41 VanDerWaalsContact CE1-CE 3.46Å; H33-M41 WeakPolarHBondContact CE1-CE 3.41Å
34E82.2Confident80.5Confident122 Ų12284.8 Ų84.857%0.5745%0.448SS*.  trans-62.5140.3163.1-170.6173.9-164.300109.1V36 K37 F38E34-V36 PolarHBondContact O-N 3.42Å; E34-V36 VanDerWaalsContact O-N 3.13Å; E34-K37 HydrophobicContact CB-CB 4.39Å; E34-K37 HydrophobicContact CB-CD 4.25Å; E34-K37 HydrophobicContact CB-CG 4.23Å; E34-K37 WeakPolarHBondContact O-CA 3.41Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 2.93Å; E34-K37 WeakPolarHBondContact OE2-CE 3.33Å; E34-K37 IonicContact OE2-NZ 2.79Å; E34-F38 PolarHBondContact O-N 3.07Å
35D80.3Confident80.3Confident103 Ų10386 Ų8655%0.55145%0.449SS*.Hα-helixtrans-55-39-171.4-70.2-25.7000112.9F38 K39 Y377D35-F38 PolarHBondContact O-N 3.43Å; D35-K39 WeakPolarHBondContact O-CG 3.31Å; D35-K39 PolarHBondContact O-N 3.45Å; D35-Y377 WeakPolarHBondContact CB-OH 3.48Å; D35-Y377 PolarHBondContact OD1-OH 3.17Å
36V80.7Confident80.3Confident59 Ų5981.8 Ų81.836%0.35843%0.428SS..Hα-helixtrans-60.2-46.8174.4172.40000111.3E34 F38 K39 T40 D373E34-V36 PolarHBondContact O-N 3.42Å; E34-V36 VanDerWaalsContact O-N 3.13Å; V36-F38 PolarHBondContact O-N 3.46Å; V36-K39 PolarHBondContact O-N 3.17Å; V36-T40 WeakPolarHBondContact O-CG2 3.18Å; V36-T40 PolarHBondContact O-N 3.21Å; V36-T40 PolarHBondContact O-OG1 3.17Å; V36-D373 WeakPolarHBondContact CG1-OD1 3.42Å; V36-D373 HydrophobicContact CG2-CB 4.16Å
37K81.5Confident80.4Confident114 Ų11485 Ų8550%0.49644%0.44SS..Hα-helixtrans-65.4-40.3178.7-68.2-177.4-174.41710111.4E34 T40 M41E34-K37 HydrophobicContact CB-CB 4.39Å; E34-K37 HydrophobicContact CB-CD 4.25Å; E34-K37 HydrophobicContact CB-CG 4.23Å; E34-K37 WeakPolarHBondContact O-CA 3.41Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 2.93Å; E34-K37 WeakPolarHBondContact OE2-CE 3.33Å; E34-K37 IonicContact OE2-NZ 2.79Å; K37-T40 VanDerWaalsContact CA-OG1 3.28Å; K37-T40 WeakPolarHBondContact CA-OG1 3.49Å; K37-T40 PolarHBondContact O-N 3.07Å; K37-T40 PolarHBondContact O-OG1 3.06Å; K37-M41 VanDerWaalsContact O-CG 3.27Å; K37-M41 WeakPolarHBondContact O-CG 3.25Å; K37-M41 PolarHBondContact O-N 3.3Å
38F81.3Confident80.5Confident94 Ų9484.5 Ų84.541%0.41244%0.436SS..Hα-helixtrans-65.6-41.9177.1-175.2-98000112.3H33 E34 D35 V36 M41 L42 Y377H33-F38 HydrophobicContact CB-CB 4.05Å; E34-F38 PolarHBondContact O-N 3.07Å; D35-F38 PolarHBondContact O-N 3.43Å; V36-F38 PolarHBondContact O-N 3.46Å; F38-M41 WeakPolarHBondContact O-CB 3.47Å; F38-M41 PolarHBondContact O-N 3.11Å; F38-L42 PolarHBondContact O-N 2.99Å; F38-Y377 HydrophobicContact CD1-CD1 4.39Å; F38-Y377 AromaticContact CD1-CE1 3.85Å; F38-Y377 HydrophobicContact CD1-CE1 3.85Å; F38-Y377 HydrophobicContact CE1-CD1 4.43Å; F38-Y377 HydrophobicContact CE1-CE1 4.28Å
39K82.2Confident80.7Confident19 Ų1978.3 Ų78.38%0.08341%0.412CS..Hα-helixtrans-64.6-43.2177-72.2179.9-171.5-173.30112.2D35 V36 M41 L42 V43 V372 D373 M375 Y377 L380D35-K39 WeakPolarHBondContact O-CG 3.31Å; D35-K39 PolarHBondContact O-N 3.45Å; V36-K39 PolarHBondContact O-N 3.17Å; K39-M41 VanDerWaalsContact C-N 3.32Å; K39-M41 PolarHBondContact O-N 2.86Å; K39-L42 PolarHBondContact O-N 2.8Å; K39-L42 VanDerWaalsContact O-N 3.17Å; K39-V43 PolarHBondContact O-N 3.15Å; K39-V372 HydrophobicContact CB-CG1 4.15Å; K39-V372 WeakPolarHBondContact CD-O 3.47Å; K39-D373 PolarHBondContact NZ-O 3Å; K39-M375 WeakPolarHBondContact CE-O 3.5Å; K39-M375 PolarHBondContact NZ-O 3.24Å; K39-Y377 HydrophobicContact CD-CE1 4.44Å; K39-Y377 HydrophobicContact CG-CD1 4.35Å; K39-Y377 HydrophobicContact CG-CE1 3.9Å; K39-L380 HydrophobicContact CB-CD2 4.04Å; K39-L380 HydrophobicContact CG-CD2 4.06Å
40T82.7Confident81.2Confident64 Ų6479.3 Ų79.339%0.39341%0.411SS..Hα-helixtrans-64.3-34.3174.551.10000112.5V36 K37 V43 S44V36-T40 WeakPolarHBondContact O-CG2 3.18Å; V36-T40 PolarHBondContact O-N 3.21Å; V36-T40 PolarHBondContact O-OG1 3.17Å; K37-T40 VanDerWaalsContact CA-OG1 3.28Å; K37-T40 WeakPolarHBondContact CA-OG1 3.49Å; K37-T40 PolarHBondContact O-N 3.07Å; K37-T40 PolarHBondContact O-OG1 3.06Å; T40-V43 PolarHBondContact O-N 3.5Å; T40-S44 WeakPolarHBondContact O-CB 3.39Å; T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 PolarHBondContact O-OG 3.13Å
41M80.7Confident81.7Confident76 Ų7683.2 Ų83.237%0.37442%0.418SS..Hα-helixtrans-63.3-43.6170-74.7-178.7-171.800112.1H33 K37 F38 K39 S44 I45H33-M41 VanDerWaalsContact CE1-CE 3.46Å; H33-M41 WeakPolarHBondContact CE1-CE 3.41Å; K37-M41 VanDerWaalsContact O-CG 3.27Å; K37-M41 WeakPolarHBondContact O-CG 3.25Å; K37-M41 PolarHBondContact O-N 3.3Å; F38-M41 WeakPolarHBondContact O-CB 3.47Å; F38-M41 PolarHBondContact O-N 3.11Å; K39-M41 VanDerWaalsContact C-N 3.32Å; K39-M41 PolarHBondContact O-N 2.86Å; M41-S44 WeakPolarHBondContact O-CB 3.49Å; M41-S44 PolarHBondContact O-N 2.92Å; M41-S44 VanDerWaalsContact O-N 3.14Å; M41-I45 WeakPolarHBondContact O-CG1 3.4Å; M41-I45 PolarHBondContact O-N 3.42Å
42L81Confident82.3Confident26 Ų2678.2 Ų78.214%0.13640%0.398CS..Hα-helixtrans-64.2-42.8178-166.1165.7000111.3F38 K39 S44 I45 V46 L380 L384F38-L42 PolarHBondContact O-N 2.99Å; K39-L42 PolarHBondContact O-N 2.8Å; K39-L42 VanDerWaalsContact O-N 3.17Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.92Å; L42-I45 WeakPolarHBondContact O-CB 3.33Å; L42-I45 PolarHBondContact O-N 3.3Å; L42-I45 VanDerWaalsContact O-N 3.15Å; L42-V46 HydrophobicContact CD2-CG2 3.92Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å; L42-L380 HydrophobicContact CB-CD2 3.86Å; L42-L380 HydrophobicContact CB-CG 4.46Å; L42-L380 HydrophobicContact CD1-CD2 3.82Å; L42-L380 HydrophobicContact CD1-CG 3.97Å; L42-L380 HydrophobicContact CD2-CD1 4.03Å; L42-L380 HydrophobicContact CD2-CD2 3.93Å; L42-L380 HydrophobicContact CD2-CG 3.55Å; L42-L380 HydrophobicContact CG-CD2 4.05Å; L42-L380 HydrophobicContact CG-CG 4.18Å; L42-L384 HydrophobicContact CD2-CB 4.39Å; L42-L384 HydrophobicContact CD2-CD2 4.25Å
43V80.4Confident82.5Confident41 Ų4171.3 Ų71.325%0.24837%0.365CS..Hα-helixtrans-59.2-41171.7172.90000111.2K39 T40 I45 V46 I47 V372 L380K39-V43 PolarHBondContact O-N 3.15Å; T40-V43 PolarHBondContact O-N 3.5Å; V43-I45 VanDerWaalsContact C-N 3.3Å; V43-I45 PolarHBondContact O-N 2.86Å; V43-V46 WeakPolarHBondContact O-CA 3.23Å; V43-V46 WeakPolarHBondContact O-CB 3.42Å; V43-V46 PolarHBondContact O-N 2.86Å; V43-V46 VanDerWaalsContact O-N 3.09Å; V43-I47 HydrophobicContact CG1-CD1 3.91Å; V43-I47 HydrophobicContact CG1-CG1 4.4Å; V43-I47 WeakPolarHBondContact O-CG1 3.49Å; V43-I47 PolarHBondContact O-N 3.37Å; V43-V372 HydrophobicContact CG2-CB 4.49Å; V43-V372 HydrophobicContact CG2-CG1 3.51Å; V43-V372 HydrophobicContact CG2-CG2 4.2Å; V43-L380 HydrophobicContact CG2-CD1 3.76Å
44S84.3Confident82.8Confident64 Ų6474.1 Ų74.145%0.44838%0.381SS..Hα-helixtrans-61.4-39.8176.5-57.30000111.7T40 M41 L42 V46 I47 V48T40-S44 WeakPolarHBondContact O-CB 3.39Å; T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 PolarHBondContact O-OG 3.13Å; M41-S44 WeakPolarHBondContact O-CB 3.49Å; M41-S44 PolarHBondContact O-N 2.92Å; M41-S44 VanDerWaalsContact O-N 3.14Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.92Å; S44-V46 VanDerWaalsContact C-N 3.34Å; S44-V46 PolarHBondContact O-N 3.48Å; S44-I47 PolarHBondContact O-N 3.38Å; S44-V48 VanDerWaalsContact O-CG2 3.32Å; S44-V48 WeakPolarHBondContact O-CG2 3.31Å; S44-V48 PolarHBondContact O-N 2.95Å
45I83Confident82.9Confident95 Ų9571.6 Ų71.649%0.48737%0.371SS..Hα-helixtrans-61-43.1172.5-67.3166000110.8M41 L42 V43 I47 V48 L49M41-I45 WeakPolarHBondContact O-CG1 3.4Å; M41-I45 PolarHBondContact O-N 3.42Å; L42-I45 WeakPolarHBondContact O-CB 3.33Å; L42-I45 PolarHBondContact O-N 3.3Å; L42-I45 VanDerWaalsContact O-N 3.15Å; V43-I45 VanDerWaalsContact C-N 3.3Å; V43-I45 PolarHBondContact O-N 2.86Å; I45-I47 PolarHBondContact O-N 3.44Å; I45-V48 PolarHBondContact O-N 2.96Å; I45-L49 HydrophobicContact CG2-CD1 3.78Å; I45-L49 HydrophobicContact CG2-CG 4.34Å; I45-L49 WeakPolarHBondContact O-CB 3.35Å; I45-L49 VanDerWaalsContact O-CG 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 3.23Å
46V80.6Confident83.2Confident13 Ų1367.3 Ų67.38%0.07935%0.351CS..Hα-helixtrans-58.8-48.4175.8-179.90000110.2L42 V43 S44 V48 L49 I50 L384 V387L42-V46 HydrophobicContact CD2-CG2 3.92Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.25Å; V43-V46 WeakPolarHBondContact O-CA 3.23Å; V43-V46 WeakPolarHBondContact O-CB 3.42Å; V43-V46 PolarHBondContact O-N 2.86Å; V43-V46 VanDerWaalsContact O-N 3.09Å; S44-V46 VanDerWaalsContact C-N 3.34Å; S44-V46 PolarHBondContact O-N 3.48Å; V46-V48 PolarHBondContact O-N 3.38Å; V46-L49 PolarHBondContact O-N 2.86Å; V46-I50 HydrophobicContact CG1-CD1 3.8Å; V46-I50 HydrophobicContact CG1-CG1 4.28Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.46Å; V46-I50 PolarHBondContact O-N 3.39Å; V46-L384 HydrophobicContact CB-CD1 4.09Å; V46-L384 HydrophobicContact CG1-CD1 4.36Å; V46-L384 HydrophobicContact CG2-CB 3.89Å; V46-L384 HydrophobicContact CG2-CD1 3.4Å; V46-L384 VanDerWaalsContact CG2-CD1 3.4Å; V46-L384 HydrophobicContact CG2-CG 4.14Å; V46-V387 HydrophobicContact CG1-CG1 4.32Å
47I84.1Confident83.5Confident101 Ų10165.8 Ų65.852%0.51834%0.341SS..Hα-helixtrans-60.7-44.7-179.7-67.4166.8000110.9V43 S44 I45 L49 I50 F51V43-I47 HydrophobicContact CG1-CD1 3.91Å; V43-I47 HydrophobicContact CG1-CG1 4.4Å; V43-I47 WeakPolarHBondContact O-CG1 3.49Å; V43-I47 PolarHBondContact O-N 3.37Å; S44-I47 PolarHBondContact O-N 3.38Å; I45-I47 PolarHBondContact O-N 3.44Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.9Å; I47-I50 PolarHBondContact O-N 3.43Å; I47-F51 WeakPolarHBondContact O-CB 3.33Å; I47-F51 PolarHBondContact O-N 3.32Å
48V87.3Confident83.6Confident96 Ų9663.2 Ų63.258%0.58234%0.336SS*.Hα-helixtrans-63.2-40.7177171.70000111.2S44 I45 V46 F51 Q52S44-V48 VanDerWaalsContact O-CG2 3.32Å; S44-V48 WeakPolarHBondContact O-CG2 3.31Å; S44-V48 PolarHBondContact O-N 2.95Å; I45-V48 PolarHBondContact O-N 2.96Å; V46-V48 PolarHBondContact O-N 3.38Å; V48-F51 PolarHBondContact O-N 2.88Å; V48-Q52 WeakPolarHBondContact O-CB 3.42Å; V48-Q52 PolarHBondContact O-N 2.82Å
49L84.4Confident84Confident52 Ų5263.1 Ų63.127%0.27234%0.339SS..Hα-helixtrans-65.7-45.2175.9-71.8168.7000111.4I45 V46 I47 F51 Q52 F53 L384 L388I45-L49 HydrophobicContact CG2-CD1 3.78Å; I45-L49 HydrophobicContact CG2-CG 4.34Å; I45-L49 WeakPolarHBondContact O-CB 3.35Å; I45-L49 VanDerWaalsContact O-CG 3.26Å; I45-L49 WeakPolarHBondContact O-CG 3.47Å; I45-L49 PolarHBondContact O-N 3.23Å; V46-L49 PolarHBondContact O-N 2.86Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.9Å; L49-F51 VanDerWaalsContact C-N 3.29Å; L49-F51 PolarHBondContact O-N 3.22Å; L49-Q52 PolarHBondContact O-N 3.04Å; L49-F53 HydrophobicContact CB-CD2 4.38Å; L49-F53 HydrophobicContact CB-CE2 4.26Å; L49-F53 HydrophobicContact CD2-CE2 4.13Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.35Å; L49-L384 HydrophobicContact CD1-CD1 3.83Å; L49-L388 HydrophobicContact CB-CD2 4.13Å; L49-L388 HydrophobicContact CD1-CD1 4.5Å; L49-L388 HydrophobicContact CD1-CD2 4.19Å
50I83.1Confident84.4Confident60 Ų6067.8 Ų67.831%0.30836%0.359SS..Hα-helixtrans-55.7-48174.1-67.4166000109.9V46 I47 Q52 F53 L54 V387 I391V46-I50 HydrophobicContact CG1-CD1 3.8Å; V46-I50 HydrophobicContact CG1-CG1 4.28Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.46Å; V46-I50 PolarHBondContact O-N 3.39Å; I47-I50 PolarHBondContact O-N 3.43Å; I50-Q52 PolarHBondContact O-N 3.23Å; I50-F53 PolarHBondContact O-N 2.84Å; I50-L54 WeakPolarHBondContact O-CB 3.23Å; I50-L54 PolarHBondContact O-N 2.9Å; I50-V387 HydrophobicContact CD1-CG1 3.78Å; I50-V387 HydrophobicContact CG1-CG1 3.48Å; I50-V387 VanDerWaalsContact CG1-CG1 3.48Å; I50-I391 HydrophobicContact CB-CD1 4.43Å; I50-I391 HydrophobicContact CG1-CD1 4.05Å
51F87.1Confident84.6Confident115 Ų11571 Ų7150%0.50437%0.368SS..Hα-helixtrans-59.4-47177.4177.8-91000111.8I47 V48 L49 F53 I55 G56I47-F51 WeakPolarHBondContact O-CB 3.33Å; I47-F51 PolarHBondContact O-N 3.32Å; V48-F51 PolarHBondContact O-N 2.88Å; L49-F51 VanDerWaalsContact C-N 3.29Å; L49-F51 PolarHBondContact O-N 3.22Å; F51-F53 PolarHBondContact O-N 3.37Å; F51-I55 HydrophobicContact CD2-CB 4.27Å; F51-I55 HydrophobicContact CD2-CD1 3.65Å; F51-I55 HydrophobicContact CD2-CG1 4.45Å; F51-I55 HydrophobicContact CE2-CB 4.1Å; F51-I55 HydrophobicContact CE2-CD1 3.68Å; F51-I55 HydrophobicContact CE2-CG1 4.47Å; F51-I55 HydrophobicContact CE2-CG2 4.02Å; F51-I55 HydrophobicContact CZ-CB 4.41Å; F51-I55 HydrophobicContact CZ-CG2 4.09Å; F51-I55 WeakPolarHBondContact O-CA 3.32Å; F51-I55 WeakPolarHBondContact O-CB 3.27Å; F51-I55 PolarHBondContact O-N 2.87Å; F51-G56 PolarHBondContact O-N 3.42Å
52Q87.4Confident85Confident83 Ų8371.1 Ų71.139%0.38837%0.373SS..Iπ-helixtrans-59.7-45.3178.1179.759.838.200111.5V48 L49 I50 G56 D57V48-Q52 WeakPolarHBondContact O-CB 3.42Å; V48-Q52 PolarHBondContact O-N 2.82Å; L49-Q52 PolarHBondContact O-N 3.04Å; I50-Q52 PolarHBondContact O-N 3.23Å; Q52-G56 CarbonylContact O-C 3.58Å; Q52-G56 VanDerWaalsContact O-CA 3.23Å; Q52-G56 WeakPolarHBondContact O-CA 3.25Å; Q52-G56 PolarHBondContact O-N 2.87Å; Q52-G56 VanDerWaalsContact O-N 3.13Å; Q52-D57 PolarHBondContact NE2-OD1 2.94Å; Q52-D57 PolarHBondContact O-N 2.88Å
53F82.7Confident85.5Confident48 Ų4874.9 Ų74.921%0.21139%0.392CS..Iπ-helixtrans-78.1-34.9-177.4-70.7-66.4000113.8L49 I50 F51 D57 L388 I391 Q395L49-F53 HydrophobicContact CB-CD2 4.38Å; L49-F53 HydrophobicContact CB-CE2 4.26Å; L49-F53 HydrophobicContact CD2-CE2 4.13Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.35Å; I50-F53 PolarHBondContact O-N 2.84Å; F51-F53 PolarHBondContact O-N 3.37Å; F53-D57 WeakPolarHBondContact CD1-OD2 3.4Å; F53-L388 HydrophobicContact CD2-CD2 3.9Å; F53-L388 HydrophobicContact CE2-CD2 3.34Å; F53-L388 HydrophobicContact CZ-CD2 4.23Å; F53-I391 HydrophobicContact CB-CD1 4.33Å; F53-I391 HydrophobicContact CB-CG2 3.55Å; F53-I391 HydrophobicContact CG-CG2 4.23Å; F53-Q395 PolarHBondContact O-NE2 2.87Å
54L80.9Confident85.9Confident111 Ų11176 Ų7658%0.58140%0.396SS*.Iπ-helixtrans-87.3-32.4-174.8-164140000112.6I50 P58I50-L54 WeakPolarHBondContact O-CB 3.23Å; I50-L54 PolarHBondContact O-N 2.9Å; L54-P58 WeakPolarHBondContact O-CG 3.42Å
55I85.6Confident86Confident69 Ų6976 Ų7635%0.35440%0.396SS..Iπ-helixtrans-118.5-50-176-60.9171.5000110.7F51 P58 I59F51-I55 HydrophobicContact CD2-CB 4.27Å; F51-I55 HydrophobicContact CD2-CD1 3.65Å; F51-I55 HydrophobicContact CD2-CG1 4.45Å; F51-I55 HydrophobicContact CE2-CB 4.1Å; F51-I55 HydrophobicContact CE2-CD1 3.68Å; F51-I55 HydrophobicContact CE2-CG1 4.47Å; F51-I55 HydrophobicContact CE2-CG2 4.02Å; F51-I55 HydrophobicContact CZ-CB 4.41Å; F51-I55 HydrophobicContact CZ-CG2 4.09Å; F51-I55 WeakPolarHBondContact O-CA 3.32Å; F51-I55 WeakPolarHBondContact O-CB 3.27Å; F51-I55 PolarHBondContact O-N 2.87Å; I55-P58 WeakPolarHBondContact O-CD 3.44Å; I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.47Å; I55-I59 WeakPolarHBondContact O-CB 3.26Å; I55-I59 WeakPolarHBondContact O-CD1 3.41Å; I55-I59 VanDerWaalsContact O-CG1 3.23Å; I55-I59 WeakPolarHBondContact O-CG1 3.24Å; I55-I59 PolarHBondContact O-N 3.44Å; I55-I59 VanDerWaalsContact O-N 3.14Å
56G86.7Confident86.4Confident14 Ų1475.9 Ų75.914%0.14440%0.396CS..Iπ-helixtrans-62-47.3-174.300000114F51 Q52 I59 K60F51-G56 PolarHBondContact O-N 3.42Å; Q52-G56 CarbonylContact O-C 3.58Å; Q52-G56 VanDerWaalsContact O-CA 3.23Å; Q52-G56 WeakPolarHBondContact O-CA 3.25Å; Q52-G56 PolarHBondContact O-N 2.87Å; Q52-G56 VanDerWaalsContact O-N 3.13Å; G56-I59 PolarHBondContact O-N 3.46Å; G56-K60 VanDerWaalsContact O-CB 3.31Å; G56-K60 WeakPolarHBondContact O-CB 3.17Å; G56-K60 PolarHBondContact O-N 3.28Å
57D86.6Confident86.8Confident26 Ų2679.4 Ų79.414%0.13941%0.414CS..Hα-helixtrans-68.5-46.7-177.9-76.2-10000112.2Q52 F53 I59 K60 F61Q52-D57 PolarHBondContact NE2-OD1 2.94Å; Q52-D57 PolarHBondContact O-N 2.88Å; F53-D57 WeakPolarHBondContact CD1-OD2 3.4Å; D57-I59 VanDerWaalsContact C-N 3.35Å; D57-I59 PolarHBondContact O-N 3.41Å; D57-K60 WeakPolarHBondContact O-CB 3.38Å; D57-K60 PolarHBondContact O-N 3.47Å; D57-F61 HydrophobicContact CB-CD2 4.43Å; D57-F61 HydrophobicContact CB-CE2 4.15Å; D57-F61 WeakPolarHBondContact O-CD2 3.35Å; D57-F61 WeakPolarHBondContact O-CG 3.49Å; D57-F61 PolarHBondContact O-N 3.46Å
58P84.3Confident86.8Confident60 Ų6083 Ų8339%0.3942%0.421SS..Hα-helixtrans-56.1-45.8171.8-28.936.7000113L54 I55 K60 F61 V62L54-P58 WeakPolarHBondContact O-CG 3.42Å; I55-P58 WeakPolarHBondContact O-CD 3.44Å; P58-K60 VanDerWaalsContact C-N 3.32Å; P58-K60 PolarHBondContact O-N 3.42Å; P58-F61 PolarHBondContact O-N 2.68Å; P58-V62 VanDerWaalsContact O-CG2 3.28Å; P58-V62 WeakPolarHBondContact O-CG2 3.36Å; P58-V62 PolarHBondContact O-N 3.44Å
59I89.5Confident86.7Confident93 Ų9382.3 Ų82.348%0.47743%0.425SS..Hα-helixtrans-60.3-45176.7-69.2171.6000110.4I55 G56 D57 F61 V62 I63I55-I59 HydrophobicContact CG2-CD1 3.56Å; I55-I59 HydrophobicContact CG2-CG1 4.47Å; I55-I59 WeakPolarHBondContact O-CB 3.26Å; I55-I59 WeakPolarHBondContact O-CD1 3.41Å; I55-I59 VanDerWaalsContact O-CG1 3.23Å; I55-I59 WeakPolarHBondContact O-CG1 3.24Å; I55-I59 PolarHBondContact O-N 3.44Å; I55-I59 VanDerWaalsContact O-N 3.14Å; G56-I59 PolarHBondContact O-N 3.46Å; D57-I59 VanDerWaalsContact C-N 3.35Å; D57-I59 PolarHBondContact O-N 3.41Å; I59-F61 VanDerWaalsContact C-N 3.34Å; I59-F61 PolarHBondContact O-N 3.35Å; I59-V62 PolarHBondContact O-N 3.03Å; I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 HydrophobicContact CG2-CG1 4.39Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.82Å
60K89.9Confident86.9Confident116 Ų11685.7 Ų85.750%0.50444%0.443SS..Hα-helixtrans-59.4-43.3176177.7-175.9175.6-176.30111.9G56 D57 P58 I63 L64G56-K60 VanDerWaalsContact O-CB 3.31Å; G56-K60 WeakPolarHBondContact O-CB 3.17Å; G56-K60 PolarHBondContact O-N 3.28Å; D57-K60 WeakPolarHBondContact O-CB 3.38Å; D57-K60 PolarHBondContact O-N 3.47Å; P58-K60 VanDerWaalsContact C-N 3.32Å; P58-K60 PolarHBondContact O-N 3.42Å; K60-I63 PolarHBondContact O-N 3Å; K60-L64 HydrophobicContact CG-CD1 3.99Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 VanDerWaalsContact O-CG 3.28Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.11Å
61F86.8Confident86.9Confident131 Ų13192 Ų9258%0.57546%0.463SS*.Hα-helixtrans-67.2-38.6176.8-72.1-58.2000112.2D57 P58 I59 L64 S65D57-F61 HydrophobicContact CB-CD2 4.43Å; D57-F61 HydrophobicContact CB-CE2 4.15Å; D57-F61 WeakPolarHBondContact O-CD2 3.35Å; D57-F61 WeakPolarHBondContact O-CG 3.49Å; D57-F61 PolarHBondContact O-N 3.46Å; P58-F61 PolarHBondContact O-N 2.68Å; I59-F61 VanDerWaalsContact C-N 3.34Å; I59-F61 PolarHBondContact O-N 3.35Å; F61-L64 PolarHBondContact O-N 2.84Å; F61-S65 VanDerWaalsContact O-CB 3.27Å; F61-S65 WeakPolarHBondContact O-CB 3.25Å; F61-S65 PolarHBondContact O-N 2.97Å; F61-S65 PolarHBondContact O-OG 2.82Å
62V88.3Confident86.1Confident79 Ų7991.2 Ų91.248%0.47947%0.469SS..Hα-helixtrans-60.6-49.1173.51700000110P58 I59 L64 S65 I66P58-V62 VanDerWaalsContact O-CG2 3.28Å; P58-V62 WeakPolarHBondContact O-CG2 3.36Å; P58-V62 PolarHBondContact O-N 3.44Å; I59-V62 PolarHBondContact O-N 3.03Å; V62-L64 PolarHBondContact O-N 3.48Å; V62-S65 WeakPolarHBondContact CA-OG 3.43Å; V62-S65 PolarHBondContact O-N 3.31Å; V62-S65 VanDerWaalsContact O-N 3.14Å; V62-S65 PolarHBondContact O-OG 3Å; V62-I66 HydrophobicContact CG1-CD1 3.78Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.06Å
63I91.6Very high85.1Confident105 Ų10592.4 Ų92.454%0.53848%0.484SS..Hα-helixtrans-59.4-47.3177-66.5165.6000110.9I59 K60 S65 I66 D67I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 HydrophobicContact CG2-CG1 4.39Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.82Å; K60-I63 PolarHBondContact O-N 3Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 3.31Å; I63-I66 PolarHBondContact O-N 3.09Å; I63-D67 WeakPolarHBondContact O-CB 3.34Å; I63-D67 PolarHBondContact O-N 3.44Å
64L89.5Confident83.9Confident64 Ų64101.5 Ų101.534%0.33552%0.517SS..Hα-helixtrans-63.5-32.3177.3-75167.2000112.9K60 F61 V62 R68K60-L64 HydrophobicContact CG-CD1 3.99Å; K60-L64 WeakPolarHBondContact O-CB 3.31Å; K60-L64 VanDerWaalsContact O-CG 3.28Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.11Å; F61-L64 PolarHBondContact O-N 2.84Å; V62-L64 PolarHBondContact O-N 3.48Å; L64-R68 WeakPolarHBondContact O-CB 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 3.05Å
65S87.3Confident82.6Confident66 Ų66103.1 Ų103.146%0.46253%0.525SS..Hα-helixtrans-73.6-39.9177.574.30000111.7F61 V62 I63 A69F61-S65 VanDerWaalsContact O-CB 3.27Å; F61-S65 WeakPolarHBondContact O-CB 3.25Å; F61-S65 PolarHBondContact O-N 2.97Å; F61-S65 PolarHBondContact O-OG 2.82Å; V62-S65 WeakPolarHBondContact CA-OG 3.43Å; V62-S65 PolarHBondContact O-N 3.31Å; V62-S65 VanDerWaalsContact O-N 3.14Å; V62-S65 PolarHBondContact O-OG 3Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 3.31Å; S65-A69 VanDerWaalsContact O-CB 3.25Å; S65-A69 WeakPolarHBondContact O-CB 3.28Å; S65-A69 PolarHBondContact O-N 2.99Å
66I90.1Very high80.7Confident91 Ų91108.9 Ų108.947%0.46754%0.543SS..Hα-helixtrans-64-46.4173.7-69.1167.5000109.8V62 I63 R68 A69 L70V62-I66 HydrophobicContact CG1-CD1 3.78Å; V62-I66 HydrophobicContact CG1-CG1 4.48Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.06Å; I63-I66 PolarHBondContact O-N 3.09Å; I66-R68 PolarHBondContact O-N 3Å; I66-A69 PolarHBondContact O-N 3.39Å; I66-L70 HydrophobicContact CG2-CD1 3.63Å; I66-L70 HydrophobicContact CG2-CG 4.38Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 WeakPolarHBondContact O-CG 3.33Å; I66-L70 PolarHBondContact O-N 3.25Å
67D89.4Confident78.6Confident87 Ų87114.5 Ų114.547%0.46557%0.569SS.*Hα-helixtrans-57.9-49.4177.4-176.558.7000111.5I63 A69 L70 W71I63-D67 WeakPolarHBondContact O-CB 3.34Å; I63-D67 PolarHBondContact O-N 3.44Å; D67-A69 VanDerWaalsContact C-N 3.33Å; D67-A69 PolarHBondContact O-N 3.18Å; D67-L70 PolarHBondContact O-N 3.22Å; D67-W71 WeakPolarHBondContact O-CB 3.29Å; D67-W71 PolarHBondContact O-N 2.87Å
68R84.2Confident76.7Confident178 Ų178117.1 Ų117.167%0.67259%0.587SS**Hα-helixtrans-65.7-30.7176.2-79.9-179.5174.4139.4-1.4114.3L64 I66 W71L64-R68 WeakPolarHBondContact O-CB 3.28Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 3.05Å; I66-R68 PolarHBondContact O-N 3Å; R68-W71 CarbonylContact O-C 3.54Å
69A85.9Confident74.7Confident81 Ų81118.4 Ų118.467%0.66960%0.596SS**Hα-helixtrans-73.6-38.2177.400000111.8S65 I66 D67S65-A69 VanDerWaalsContact O-CB 3.25Å; S65-A69 WeakPolarHBondContact O-CB 3.28Å; S65-A69 PolarHBondContact O-N 2.99Å; I66-A69 PolarHBondContact O-N 3.39Å; D67-A69 VanDerWaalsContact C-N 3.33Å; D67-A69 PolarHBondContact O-N 3.18Å
70L88.1Confident72.2Confident122 Ų122125.2 Ų125.264%0.63962%0.615SS**Hα-helixtrans-75.9-35.2177.3-72167.4000112.2I66 D67 P72I66-L70 HydrophobicContact CG2-CD1 3.63Å; I66-L70 HydrophobicContact CG2-CG 4.38Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 WeakPolarHBondContact O-CG 3.33Å; I66-L70 PolarHBondContact O-N 3.25Å; D67-L70 PolarHBondContact O-N 3.22Å; L70-P72 WeakPolarHBondContact O-CD 3.45Å
71W82.6Confident69.7Low194 Ų194122 Ų12274%0.73561%0.607SS**SBendtrans-119.179.4-178.3-60.570.4000109.1D67 R68D67-W71 WeakPolarHBondContact O-CB 3.29Å; D67-W71 PolarHBondContact O-N 2.87Å; R68-W71 CarbonylContact O-C 3.54Å
72P71.6Confident67.6Low98 Ų98123.2 Ų123.264%0.63662%0.619SS**PPolyproline II helixtrans-55.3132.3176.922-31.8000108.7L70 R74L70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-R74 PolarHBondContact O-N 3.49Å
73P64.7Low65.2Low107 Ų107127.2 Ų127.270%0.69563%0.63SS**PPolyproline II helixtrans-56.5123.5179.122.2-31000107.7I75P73-I75 PolarHBondContact O-N 3.28Å
74R58Low63Low240 Ų240128.2 Ų128.291%0.90664%0.637SS**PPolyproline II helixtrans-49.7121.7167.6-71.7-174.2-179.2-170.70.1105.6P72 Y76P72-R74 PolarHBondContact O-N 3.49Å; R74-Y76 PolarHBondContact O-N 2.94Å
75I54.4Low61.1Low145 Ų145132.8 Ų132.874%0.74466%0.656SS**  trans-42.2117.3173.6-63.8167.7000105.4P73 I77P73-I75 PolarHBondContact O-N 3.28Å; I75-I77 HydrophobicContact CB-CG1 4.48Å; I75-I77 HydrophobicContact CG2-CG1 4.02Å; I75-I77 PolarHBondContact O-N 3.37Å
76Y45.9Very low59.3Low189 Ų189135.2 Ų135.274%0.74166%0.662SS**  trans-67.388.9175.1178.5-94.3000106R74 P78R74-Y76 PolarHBondContact O-N 2.94Å; Y76-P78 HydrophobicContact CE1-CB 3.99Å; Y76-P78 WeakPolarHBondContact O-CD 3.44Å
77I41.9Very low57.6Low132 Ų132134.2 Ų134.268%0.67766%0.658SS**  trans-80.1113.9162-55.2169.4000102.5I75I75-I77 HydrophobicContact CB-CG1 4.48Å; I75-I77 HydrophobicContact CG2-CG1 4.02Å; I75-I77 PolarHBondContact O-N 3.37Å
78P46.8Very low56.2Low82 Ų82134.4 Ų134.453%0.53266%0.656SS.*  trans-51.6130.2173.522.9-31.9000107.5Y76 R80Y76-P78 HydrophobicContact CE1-CB 3.99Å; Y76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-R80 PolarHBondContact O-N 3.25Å; P78-R80 VanDerWaalsContact O-N 3.11Å
79P42.3Very low55Low86 Ų86128.3 Ų128.356%0.55863%0.634SS**  trans-56.9123.6179.721.9-30000108.3C81P79-C81 VanDerWaalsContact C-N 3.28Å; P79-C81 PolarHBondContact O-N 2.91Å
80R37.6Very low54Low237 Ų237127.2 Ų127.289%0.89462%0.615SS**  trans-63.599.7157-88.6-178172.9170.2-2.8105.3P78 D82P78-R80 PolarHBondContact O-N 3.25Å; P78-R80 VanDerWaalsContact O-N 3.11Å; R80-D82 PolarHBondContact O-N 3Å; R80-D82 VanDerWaalsContact O-N 3.11Å
81C37.8Very low53Low49 Ų49127 Ų12733%0.33161%0.611SS.*  trans-75.795.1-179.6-84.10000109.6P79 K83P79-C81 VanDerWaalsContact C-N 3.28Å; P79-C81 PolarHBondContact O-N 2.91Å; C81-K83 PolarHBondContact O-N 3.43Å; C81-K83 VanDerWaalsContact O-N 3.17Å
82D40.8Very low52.3Low155 Ų155120.3 Ų120.383%0.82959%0.585SS**  trans-79.231.8164.1-67.3-25.2000111.8R80R80-D82 PolarHBondContact O-N 3Å; R80-D82 VanDerWaalsContact O-N 3.11Å
83K37.9Very low52.5Low163 Ų163118.9 Ų118.971%0.70957%0.567SS**SBendtrans-142.6114.4-176-65.2-172.4179.5177.90111.7C81C81-K83 PolarHBondContact O-N 3.43Å; C81-K83 VanDerWaalsContact O-N 3.17Å
84D46.6Very low53Low127 Ų127117.5 Ų117.568%0.67955%0.554SS**  trans65.2108.1165.6-50.2-27.8000117.6M86 D87D84-M86 PolarHBondContact O-N 2.97Å; D84-D87 PolarHBondContact O-N 3.26Å
85E50.2Low54Low159 Ų159111.8 Ų111.874%0.74354%0.536SS*.Hα-helixtrans-47.3-23.4176.1-68.6-179.615500114.7K89E85-K89 WeakPolarHBondContact O-CG 3.29Å; E85-K89 PolarHBondContact O-N 2.88Å
86M48Very low55.3Low117 Ų117105.5 Ų105.558%0.57650%0.504SS*.Hα-helixtrans-70.5-35.3177.9-76.5-63.6-63.400113.5D84 E90D84-M86 PolarHBondContact O-N 2.97Å; M86-E90 PolarHBondContact O-N 3.39Å
87D56.3Low57.1Low71 Ų71100.5 Ų100.538%0.3849%0.486SS..Hα-helixtrans-74.1-37178-85.4-16.7000110.3D84 K89 E90 E91D84-D87 PolarHBondContact O-N 3.26Å; D87-K89 PolarHBondContact O-N 3.36Å; D87-E90 PolarHBondContact O-N 2.9Å; D87-E91 WeakPolarHBondContact O-CG 3.49Å; D87-E91 PolarHBondContact O-N 3.39Å
88E58.1Low58.9Low90 Ų90100 Ų10042%0.42148%0.481SS..Hα-helixtrans-61.3-42.2172.2-75.2-162.7150.600112.4E90 E91 R92E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.13Å; E88-E91 PolarHBondContact O-N 3.35Å; E88-R92 WeakPolarHBondContact O-CB 3.26Å; E88-R92 PolarHBondContact O-N 3.4Å
89K60.8Low60.8Low51 Ų51100.3 Ų100.322%0.22247%0.471CS..Hα-helixtrans-61.8-38.5174.8-75.5-178.6-179.7-168.30111.7E85 D87 R93 D711E85-K89 WeakPolarHBondContact O-CG 3.29Å; E85-K89 PolarHBondContact O-N 2.88Å; D87-K89 PolarHBondContact O-N 3.36Å; K89-R93 WeakPolarHBondContact O-CB 3.46Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 3.49Å; K89-R93 PolarHBondContact O-NE 3.27Å; K89-D711 IonicContact NZ-OD1 2.77Å; K89-D711 PolarHBondContact NZ-OD1 3.43Å; K89-D711 IonicContact NZ-OD2 2.85Å; K89-D711 PolarHBondContact NZ-OD2 3.06Å
90E63.7Low62.8Low58 Ų5897.2 Ų97.227%0.27145%0.45SS..Hα-helixtrans-67.2-49.1174.7-82.9-166.2-179.200112.5M1 M86 D87 E88 R92 R93 D94M1-E90 PolarHBondContact N-OE2 2.99Å; M86-E90 PolarHBondContact O-N 3.39Å; D87-E90 PolarHBondContact O-N 2.9Å; E88-E90 VanDerWaalsContact C-N 3.33Å; E88-E90 PolarHBondContact O-N 3.13Å; E90-R92 PolarHBondContact O-N 3.4Å; E90-R93 PolarHBondContact O-N 3.36Å; E90-D94 PolarHBondContact O-N 2.85Å
91E66.6Low65Low118 Ų11891 Ų9155%0.55143%0.434SS*.Hα-helixtrans-62.7-42.5-178.8-71.7-175.2176.200112D87 E88 R93 D94 F95D87-E91 WeakPolarHBondContact O-CG 3.49Å; D87-E91 PolarHBondContact O-N 3.39Å; E88-E91 PolarHBondContact O-N 3.35Å; E91-R93 PolarHBondContact O-N 2.84Å; E91-D94 PolarHBondContact O-N 3.22Å; E91-F95 WeakPolarHBondContact O-CB 3.31Å; E91-F95 PolarHBondContact O-N 3.48Å
92R69.5Low67.1Low53 Ų5393.4 Ų93.420%0.244%0.443CS..Hα-helixtrans-66.2-36.9177.9-168.1166.1-175.6-169-6.2112.7E88 E90 F95 L96 M707 Y713 V714E88-R92 WeakPolarHBondContact O-CB 3.26Å; E88-R92 PolarHBondContact O-N 3.4Å; E90-R92 PolarHBondContact O-N 3.4Å; R92-F95 PolarHBondContact O-N 2.87Å; R92-L96 WeakPolarHBondContact O-CG 3.35Å; R92-L96 PolarHBondContact O-N 3.21Å; R92-M707 HydrophobicContact CG-CE 4.36Å; R92-Y713 VanDerWaalsContact NH1-CE1 3.29Å; R92-Y713 PolarHBondContact NH1-OH 2.9Å; R92-V714 PolarHBondContact NH2-O 3.38Å
93R75.2Confident69.2Low68 Ų6887.9 Ų87.926%0.25741%0.411SS..Hα-helixtrans-63-43.5173-78.8179.8-66.4-178.4-2.7111.1K89 E90 E91 L96 K97 M707K89-R93 WeakPolarHBondContact O-CB 3.46Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 3.49Å; K89-R93 PolarHBondContact O-NE 3.27Å; E90-R93 PolarHBondContact O-N 3.36Å; E91-R93 PolarHBondContact O-N 2.84Å; R93-L96 PolarHBondContact O-N 3.36Å; R93-K97 VanDerWaalsContact O-CG 3.31Å; R93-K97 WeakPolarHBondContact O-CG 3.42Å; R93-K97 PolarHBondContact O-N 3.31Å; R93-M707 HydrophobicContact CG-SD 4.49Å
94D75Confident71.4Confident78 Ų7886 Ų8642%0.41740%0.4SS..Hα-helixtrans-70.4-35.9179.7-77.3-9.1000112E90 E91 K97 Q98E90-D94 PolarHBondContact O-N 2.85Å; E91-D94 PolarHBondContact O-N 3.22Å; D94-K97 PolarHBondContact O-N 2.95Å; D94-K97 IonicContact OD1-NZ 2.84Å; D94-K97 PolarHBondContact OD1-NZ 2.99Å; D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.48Å
95F79.9Confident73Confident119 Ų11981.8 Ų81.852%0.52238%0.383SS..Hα-helixtrans-58.9-47.6169.1176.6-102.2000112.3E91 R92 K97 Q98 R99E91-F95 WeakPolarHBondContact O-CB 3.31Å; E91-F95 PolarHBondContact O-N 3.48Å; R92-F95 PolarHBondContact O-N 2.87Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 2.93Å; F95-Q98 PolarHBondContact O-N 3.49Å; F95-R99 PolarHBondContact O-N 2.86Å
96L81.4Confident74.5Confident13 Ų1376.9 Ų76.97%0.06836%0.362CS..Hα-helixtrans-64-38.1177.1-74.6173.4000112.3R92 R93 R99 L100 I700 L704 M707R92-L96 WeakPolarHBondContact O-CG 3.35Å; R92-L96 PolarHBondContact O-N 3.21Å; R93-L96 PolarHBondContact O-N 3.36Å; L96-R99 PolarHBondContact O-N 2.87Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 PolarHBondContact O-N 3.24Å; L96-I700 HydrophobicContact CD2-CG2 4.4Å; L96-L704 HydrophobicContact CB-CD2 3.91Å; L96-L704 HydrophobicContact CB-CG 4.13Å; L96-L704 HydrophobicContact CD1-CD2 4.29Å; L96-L704 HydrophobicContact CD1-CG 4.47Å; L96-M707 HydrophobicContact CD1-CE 3.66Å; L96-M707 HydrophobicContact CD1-SD 3.44Å; L96-M707 WeakPolarHBondContact CD1-SD 3.13Å
97K83.4Confident76.1Confident84 Ų8473.9 Ų73.937%0.36535%0.348SS..Hα-helixtrans-63.1-43.5173.2-72.3172.5-158.8154.10111.6R93 D94 F95 L100 I101R93-K97 VanDerWaalsContact O-CG 3.31Å; R93-K97 WeakPolarHBondContact O-CG 3.42Å; R93-K97 PolarHBondContact O-N 3.31Å; D94-K97 PolarHBondContact O-N 2.95Å; D94-K97 IonicContact OD1-NZ 2.84Å; D94-K97 PolarHBondContact OD1-NZ 2.99Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 2.93Å; K97-L100 WeakPolarHBondContact O-CB 3.31Å; K97-L100 PolarHBondContact O-N 3.43Å; K97-I101 VanDerWaalsContact O-CG1 3.28Å; K97-I101 WeakPolarHBondContact O-CG1 3.19Å; K97-I101 PolarHBondContact O-N 2.9Å
98Q79.8Confident77Confident122 Ų12275.2 Ų75.257%0.5735%0.353SS*.Hα-helixtrans-61.5-46175.2-75.4179.1-8.400111.1D94 F95 L100 I101 N102D94-Q98 WeakPolarHBondContact O-CG 3.34Å; D94-Q98 PolarHBondContact O-N 3.48Å; F95-Q98 PolarHBondContact O-N 3.49Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.95Å; Q98-I101 WeakPolarHBondContact O-CB 3.49Å; Q98-I101 PolarHBondContact O-N 3.29Å; Q98-I101 VanDerWaalsContact O-N 3.13Å; Q98-N102 VanDerWaalsContact O-CG 3.31Å; Q98-N102 PolarHBondContact O-N 2.83Å; Q98-N102 PolarHBondContact O-OD1 3.17Å
99R85.2Confident77.8Confident88 Ų8873.9 Ų73.933%0.33235%0.348SS..Hα-helixtrans-62.2-39177-163.7177177174.7-1.1112.2F95 L96 N102 K103 I700F95-R99 PolarHBondContact O-N 2.86Å; L96-R99 PolarHBondContact O-N 2.87Å; R99-N102 PolarHBondContact O-N 3.37Å; R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.85Å; R99-I700 HydrophobicContact CB-CD1 4.36Å; R99-I700 HydrophobicContact CG-CD1 3.84Å
100L86.3Confident78.5Confident21 Ų2173.4 Ų73.411%0.1135%0.35CS..Hα-helixtrans-61.3-43.6173.6-176.671.8000111.5L96 K97 Q98 R104 I697 I700 Q701 L704L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 PolarHBondContact O-N 3.24Å; K97-L100 WeakPolarHBondContact O-CB 3.31Å; K97-L100 PolarHBondContact O-N 3.43Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.95Å; L100-R104 WeakPolarHBondContact O-CB 3.34Å; L100-R104 VanDerWaalsContact O-CG 3.25Å; L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.24Å; L100-I697 HydrophobicContact CD1-CG2 3.96Å; L100-I700 HydrophobicContact CB-CG2 3.9Å; L100-I700 HydrophobicContact CD1-CB 4.32Å; L100-I700 HydrophobicContact CD1-CG2 4.05Å; L100-Q701 HydrophobicContact CD1-CG 3.75Å; L100-Q701 HydrophobicContact CD2-CG 4.5Å; L100-L704 HydrophobicContact CD2-CD1 4.16Å
101I82Confident79Confident108 Ų10871.8 Ų71.855%0.55435%0.345SS*.Hα-helixtrans-63.1-46.1176.7-68.7163.8000110.1K97 Q98 R104 A105K97-I101 VanDerWaalsContact O-CG1 3.28Å; K97-I101 WeakPolarHBondContact O-CG1 3.19Å; K97-I101 PolarHBondContact O-N 2.9Å; Q98-I101 WeakPolarHBondContact O-CB 3.49Å; Q98-I101 PolarHBondContact O-N 3.29Å; Q98-I101 VanDerWaalsContact O-N 3.13Å; I101-R104 PolarHBondContact O-N 3.34Å; I101-A105 PolarHBondContact O-N 3.47Å
102N81.7Confident79.3Confident99 Ų9970.7 Ų70.753%0.52934%0.336SS..Hα-helixtrans-62.7-46.7179.2-67.2-4.4000111.6Q98 R99 R104 A105 N106Q98-N102 VanDerWaalsContact O-CG 3.31Å; Q98-N102 PolarHBondContact O-N 2.83Å; Q98-N102 PolarHBondContact O-OD1 3.17Å; R99-N102 PolarHBondContact O-N 3.37Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 2.95Å; N102-A105 WeakPolarHBondContact O-CB 3.49Å; N102-A105 PolarHBondContact O-N 2.95Å; N102-N106 PolarHBondContact O-N 3.11Å; N102-N106 PolarHBondContact O-OD1 2.84Å
103K85.8Confident79.7Confident38 Ų3869.9 Ų69.917%0.16533%0.333CS..Hα-helixtrans-65.1-33.8176.8-69.1-61.8-174.7-174.10112.6R99 N106 L107 I697 I700R99-K103 WeakPolarHBondContact O-CG 3.4Å; R99-K103 PolarHBondContact O-N 2.85Å; K103-N106 PolarHBondContact O-N 3.39Å; K103-L107 PolarHBondContact O-N 3.23Å; K103-I697 HydrophobicContact CB-CD1 4.4Å; K103-I697 HydrophobicContact CB-CG1 3.78Å; K103-I700 HydrophobicContact CG-CD1 4.06Å
104R84.1Confident79.7Confident123 Ų12375.1 Ų75.146%0.46435%0.353SS..Hα-helixtrans-67.5-38.2172.1-77.6176.8175.8-168.70.1112.6L100 I101 N102 N106 L107 I697L100-R104 WeakPolarHBondContact O-CB 3.34Å; L100-R104 VanDerWaalsContact O-CG 3.25Å; L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.24Å; I101-R104 PolarHBondContact O-N 3.34Å; N102-R104 VanDerWaalsContact C-N 3.31Å; N102-R104 PolarHBondContact O-N 2.95Å; R104-N106 VanDerWaalsContact C-N 3.32Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 2.95Å; R104-I697 HydrophobicContact CG-CD1 3.96Å; R104-I697 HydrophobicContact CG-CG1 4.34Å
105A79.3Confident79.9Confident40 Ų4074.5 Ų74.533%0.33135%0.35SS..Hα-helixtrans-64.2-39.717300000110.9I101 N102 L107 M108I101-A105 PolarHBondContact O-N 3.47Å; N102-A105 WeakPolarHBondContact O-CB 3.49Å; N102-A105 PolarHBondContact O-N 2.95Å; A105-L107 PolarHBondContact O-N 3.38Å; A105-M108 WeakPolarHBondContact O-CB 3.39Å; A105-M108 PolarHBondContact O-N 3.41Å
106N82.5Confident80Confident56 Ų5676.7 Ų76.730%0.29936%0.356SS..Hα-helixtrans-61.6-24.5176.8-70.6-0.6000114N102 K103 R104 M108 L109N102-N106 PolarHBondContact O-N 3.11Å; N102-N106 PolarHBondContact O-OD1 2.84Å; K103-N106 PolarHBondContact O-N 3.39Å; R104-N106 VanDerWaalsContact C-N 3.32Å; N106-M108 PolarHBondContact O-N 3.18Å; N106-L109 HydrophobicContact CB-CD1 4.24Å; N106-L109 WeakPolarHBondContact O-CB 3.43Å; N106-L109 PolarHBondContact O-N 3.34Å; N106-L109 WeakPolarHBondContact OD1-CD1 3.37Å
107L80.8Confident80.1Confident54 Ų5482.3 Ų82.328%0.28338%0.38SS..THydrogen-bonded Turntrans-65.8-22.8172.8-71.3177.1000113.6K103 R104 A105 N693 V694 I697K103-L107 PolarHBondContact O-N 3.23Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 2.95Å; A105-L107 PolarHBondContact O-N 3.38Å; L107-N693 HydrophobicContact CD2-CB 3.59Å; L107-N693 HydrophobicContact CG-CB 4.32Å; L107-V694 HydrophobicContact CD1-CG2 4.45Å; L107-V694 HydrophobicContact CD2-CG2 3.85Å; L107-I697 HydrophobicContact CD1-CD1 3.29Å; L107-I697 HydrophobicContact CD2-CD1 4.34Å; L107-I697 HydrophobicContact CG-CD1 3.72Å
108M75.9Confident80Confident99 Ų9978.7 Ų78.749%0.48836%0.364SS..THydrogen-bonded Turntrans-84.6-19.3176.2-58.1-161.6-172.700112.3A105 N106 T110 V617A105-M108 WeakPolarHBondContact O-CB 3.39Å; A105-M108 PolarHBondContact O-N 3.41Å; N106-M108 PolarHBondContact O-N 3.18Å; M108-T110 PolarHBondContact O-N 3.35Å; M108-V617 HydrophobicContact CB-CG2 4.39Å
109L75.5Confident80.2Confident61 Ų6173.8 Ų73.832%0.31934%0.342SS..  trans-70.3118.4176.5-59.3172.6000109N106 Y113 V617N106-L109 HydrophobicContact CB-CD1 4.24Å; N106-L109 WeakPolarHBondContact O-CB 3.43Å; N106-L109 PolarHBondContact O-N 3.34Å; N106-L109 WeakPolarHBondContact OD1-CD1 3.37Å; L109-Y113 HydrophobicContact CD2-CD1 3.32Å; L109-Y113 HydrophobicContact CD2-CE1 3.43Å; L109-Y113 VanDerWaalsContact CD2-CE1 3.43Å; L109-Y113 HydrophobicContact CD2-CG 3.97Å; L109-V617 HydrophobicContact CD2-CG1 3.68Å
110T74.4Confident80.2Confident41 Ų4173.3 Ų73.325%0.25235%0.346SS..  trans-94.8152.9171.2-54.70000108M108 R112 Y113 D686M108-T110 PolarHBondContact O-N 3.35Å; T110-R112 HydrophobicContact CG2-CB 4.17Å; T110-R112 HydrophobicContact CG2-CG 4.21Å; T110-R112 PolarHBondContact O-N 2.95Å; T110-R112 VanDerWaalsContact O-N 3.08Å; T110-Y113 WeakPolarHBondContact O-CA 3.42Å; T110-Y113 VanDerWaalsContact O-CB 3.23Å; T110-Y113 WeakPolarHBondContact O-CB 3.49Å; T110-Y113 PolarHBondContact O-N 3Å; T110-D686 WeakPolarHBondContact CG2-OD2 3.39Å
111S74Confident80Confident25 Ų2577.1 Ų77.118%0.17536%0.363CS..G310 helixtrans-46.9-38.5172.553.90000112.2Y113 R114 D686S111-Y113 PolarHBondContact O-N 3.32Å; S111-R114 WeakPolarHBondContact O-CB 3.21Å; S111-R114 PolarHBondContact O-N 3.37Å; S111-D686 WeakPolarHBondContact CA-OD1 3.41Å; S111-D686 WeakPolarHBondContact CB-OD1 3.22Å; S111-D686 PolarHBondContact N-OD1 2.92Å; S111-D686 PolarHBondContact OG-OD1 3.13Å; S111-D686 PolarHBondContact OG-OD2 3.28Å
112R73.6Confident80.1Confident95 Ų9572.7 Ų72.736%0.35834%0.34SS..G310 helixtrans-58.3-24.2174.4-62.2-179.4177.8-177.3-4.8114.8T110 I609 D679T110-R112 HydrophobicContact CG2-CB 4.17Å; T110-R112 HydrophobicContact CG2-CG 4.21Å; T110-R112 PolarHBondContact O-N 2.95Å; T110-R112 VanDerWaalsContact O-N 3.08Å; R112-I609 HydrophobicContact CB-CB 4.24Å; R112-D679 IonicContact NH2-OD1 3.94Å; R112-D679 PolarHBondContact NH2-OD1 3.07Å
113Y77.1Confident80.3Confident36 Ų3673.9 Ų73.914%0.14134%0.34CS..G310 helixtrans-79-19174.9-175.1-91.7000112.4L109 T110 S111 N115 N119 I609 F614 V617 E618L109-Y113 HydrophobicContact CD2-CD1 3.32Å; L109-Y113 HydrophobicContact CD2-CE1 3.43Å; L109-Y113 VanDerWaalsContact CD2-CE1 3.43Å; L109-Y113 HydrophobicContact CD2-CG 3.97Å; T110-Y113 WeakPolarHBondContact O-CA 3.42Å; T110-Y113 VanDerWaalsContact O-CB 3.23Å; T110-Y113 WeakPolarHBondContact O-CB 3.49Å; T110-Y113 PolarHBondContact O-N 3Å; S111-Y113 PolarHBondContact O-N 3.32Å; Y113-N115 PolarHBondContact O-N 3.02Å; Y113-N119 WeakPolarHBondContact CD1-ND2 3.47Å; Y113-N119 VanDerWaalsContact CE1-ND2 3.31Å; Y113-N119 WeakPolarHBondContact CE1-ND2 3.4Å; Y113-N119 WeakPolarHBondContact CE2-ND2 3.27Å; Y113-N119 VanDerWaalsContact CZ-ND2 3.3Å; Y113-N119 PolarHBondContact O-ND2 2.88Å; Y113-I609 HydrophobicContact CD2-CD1 4.01Å; Y113-F614 HydrophobicContact CD2-CD2 4.19Å; Y113-F614 AromaticContact CE2-CD2 3.58Å; Y113-F614 HydrophobicContact CE2-CD2 3.58Å; Y113-F614 AromaticContact CE2-CE2 3.91Å; Y113-F614 HydrophobicContact CE2-CE2 3.91Å; Y113-V617 HydrophobicContact CD2-CB 4.38Å; Y113-V617 HydrophobicContact CD2-CG1 3.99Å; Y113-V617 HydrophobicContact CE2-CB 4.21Å; Y113-V617 HydrophobicContact CE2-CG1 3.71Å; Y113-V617 HydrophobicContact CG-CG1 4.5Å; Y113-E618 PolarHBondContact OH-OE2 2.93Å
114R76.9Confident80.3Confident177 Ų17776.8 Ų76.867%0.66836%0.355SS*.G310 helixtrans-70.5-2.2-176.7-68.2-171.5-179161.410.7114.3S111 Y116 D689S111-R114 WeakPolarHBondContact O-CB 3.21Å; S111-R114 PolarHBondContact O-N 3.37Å; R114-Y116 PolarHBondContact O-N 2.92Å; R114-D689 IonicContact CZ-OD2 3.17Å; R114-D689 IonicContact NH1-OD2 3.56Å; R114-D689 IonicContact NH2-OD2 2.77Å; R114-D689 PolarHBondContact NH2-OD2 2.83Å
115N79.3Confident80.3Confident66 Ų6671.8 Ų71.835%0.35334%0.338SS..  trans-74.390.5175.8-169.1-15.2000111.1Y113 K117 L118 N119Y113-N115 PolarHBondContact O-N 3.02Å; N115-K117 VanDerWaalsContact C-N 3.33Å; N115-K117 PolarHBondContact O-N 3.16Å; N115-L118 HydrophobicContact CB-CB 4.13Å; N115-L118 PolarHBondContact O-N 3.32Å; N115-N119 PolarHBondContact O-N 2.81Å
116Y81.4Confident80.6Confident165 Ų16570.1 Ų70.165%0.64732%0.324SS*.Hα-helixtrans-57.1-42.1-175.276.8-91.1000112.9R114 L118 N119 D120R114-Y116 PolarHBondContact O-N 2.92Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 3.37Å; Y116-N119 PolarHBondContact O-N 3.17Å; Y116-D120 WeakPolarHBondContact O-CB 3.38Å; Y116-D120 PolarHBondContact O-N 3.32Å
117K82.5Confident80.7Confident131 Ų13172.3 Ų72.357%0.5733%0.332SS*.Hα-helixtrans-61.2-42.4179.9-65.7-168-179-173.20111.5N115 Q121N115-K117 VanDerWaalsContact C-N 3.33Å; N115-K117 PolarHBondContact O-N 3.16Å; K117-Q121 WeakPolarHBondContact O-CG 3.23Å; K117-Q121 PolarHBondContact O-N 3.39Å
118L81.3Confident81Confident8 Ų870.9 Ų70.94%0.04233%0.325CS..Hα-helixtrans-71-40.8-179.9-175.167.1000111.8N115 Y116 D120 Q121 Y122 R608 I609N115-L118 HydrophobicContact CB-CB 4.13Å; N115-L118 PolarHBondContact O-N 3.32Å; Y116-L118 VanDerWaalsContact C-N 3.33Å; Y116-L118 PolarHBondContact O-N 3.37Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-Q121 PolarHBondContact O-N 2.91Å; L118-Y122 HydrophobicContact CD1-CE1 4.18Å; L118-Y122 HydrophobicContact CD1-CE2 3.94Å; L118-Y122 HydrophobicContact CD2-CE2 3.8Å; L118-Y122 HydrophobicContact CG-CD2 4.01Å; L118-Y122 HydrophobicContact CG-CE2 3.58Å; L118-Y122 PolarHBondContact O-N 2.75Å; L118-R608 HydrophobicContact CD2-CB 4.12Å; L118-R608 HydrophobicContact CD2-CG 4.07Å; L118-I609 HydrophobicContact CD2-CG2 4.32Å
119N84.3Confident81.5Confident18 Ų1868.9 Ų68.910%0.09632%0.316CS..Hα-helixtrans-64.8-40.6177.5-74.7-0.6000111.9Y113 N115 Y116 Y122 K123 F614Y113-N119 WeakPolarHBondContact CD1-ND2 3.47Å; Y113-N119 VanDerWaalsContact CE1-ND2 3.31Å; Y113-N119 WeakPolarHBondContact CE1-ND2 3.4Å; Y113-N119 WeakPolarHBondContact CE2-ND2 3.27Å; Y113-N119 VanDerWaalsContact CZ-ND2 3.3Å; Y113-N119 PolarHBondContact O-ND2 2.88Å; N115-N119 PolarHBondContact O-N 2.81Å; Y116-N119 PolarHBondContact O-N 3.17Å; N119-Y122 PolarHBondContact O-N 3.12Å; N119-K123 VanDerWaalsContact O-CB 3.32Å; N119-K123 WeakPolarHBondContact O-CB 3.5Å; N119-K123 PolarHBondContact O-N 2.86Å; N119-F614 HydrophobicContact CB-CD2 4.39Å; N119-F614 HydrophobicContact CB-CE2 3.87Å
120D85Confident82Confident79 Ų7971.5 Ų71.542%0.42233%0.325SS..Hα-helixtrans-62.7-44.8176.4-171.656.9000111.2Y116 L118 Y122 K123 M124Y116-D120 WeakPolarHBondContact O-CB 3.38Å; Y116-D120 PolarHBondContact O-N 3.32Å; L118-D120 VanDerWaalsContact C-N 3.35Å; D120-Y122 PolarHBondContact O-N 3.41Å; D120-K123 WeakPolarHBondContact O-CB 3.44Å; D120-K123 PolarHBondContact O-N 3.48Å; D120-M124 WeakPolarHBondContact O-CG 3.31Å; D120-M124 PolarHBondContact O-N 2.91Å; D120-M124 VanDerWaalsContact OD2-CE 3.22Å; D120-M124 WeakPolarHBondContact OD2-CE 3.18Å
121Q82.6Confident82.5Confident100 Ų10071.4 Ų71.447%0.46732%0.323SS..Hα-helixtrans-57.8-45.6171.6-72.7179.26.200112.6K117 L118 K123 M124 I125K117-Q121 WeakPolarHBondContact O-CG 3.23Å; K117-Q121 PolarHBondContact O-N 3.39Å; L118-Q121 PolarHBondContact O-N 2.91Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 2.85Å; Q121-M124 PolarHBondContact O-N 2.87Å; Q121-I125 VanDerWaalsContact O-CG1 3.25Å; Q121-I125 WeakPolarHBondContact O-CG1 3.44Å; Q121-I125 PolarHBondContact O-N 3.5Å
122Y85.2Confident83.2Confident16 Ų1670.6 Ų70.66%0.06332%0.316CS..Hα-helixtrans-67.4-33.3177.8-70.2-29.8000112.7L118 N119 D120 I125 A126 I609 F611 F614L118-Y122 HydrophobicContact CD1-CE1 4.18Å; L118-Y122 HydrophobicContact CD1-CE2 3.94Å; L118-Y122 HydrophobicContact CD2-CE2 3.8Å; L118-Y122 HydrophobicContact CG-CD2 4.01Å; L118-Y122 HydrophobicContact CG-CE2 3.58Å; L118-Y122 PolarHBondContact O-N 2.75Å; N119-Y122 PolarHBondContact O-N 3.12Å; D120-Y122 PolarHBondContact O-N 3.41Å; Y122-I125 HydrophobicContact CD1-CD1 4.36Å; Y122-I125 PolarHBondContact O-N 3.39Å; Y122-A126 VanDerWaalsContact O-CB 3.27Å; Y122-A126 WeakPolarHBondContact O-CB 3.11Å; Y122-A126 PolarHBondContact O-N 2.88Å; Y122-I609 HydrophobicContact CD2-CG2 4.48Å; Y122-I609 HydrophobicContact CE2-CG2 4.01Å; Y122-I609 PolarHBondContact OH-O 2.78Å; Y122-F611 AromaticContact CD1-CD2 3.62Å; Y122-F611 HydrophobicContact CD1-CD2 3.62Å; Y122-F611 HydrophobicContact CD1-CE2 4.34Å; Y122-F611 HydrophobicContact CE1-CB 4.35Å; Y122-F611 HydrophobicContact CE1-CD2 4.17Å; Y122-F611 AromaticContact CG-CD2 3.82Å; Y122-F611 HydrophobicContact CG-CD2 3.82Å; Y122-F611 HydrophobicContact CG-CE2 4.45Å; Y122-F614 HydrophobicContact CD2-CB 3.98Å; Y122-F614 HydrophobicContact CD2-CD1 4.28Å; Y122-F614 HydrophobicContact CD2-CD2 4.15Å; Y122-F614 AromaticContact CD2-CG 3.87Å; Y122-F614 HydrophobicContact CD2-CG 3.87Å; Y122-F614 HydrophobicContact CG-CD1 4.29Å; Y122-F614 HydrophobicContact CG-CG 4.33Å
123K86.1Confident83.9Confident124 Ų12466.8 Ų66.854%0.53931%0.306SS..Hα-helixtrans-65.3-44.3173.7-171178.2179.9-179.10111N119 D120 Q121 A126 H127 F614N119-K123 VanDerWaalsContact O-CB 3.32Å; N119-K123 WeakPolarHBondContact O-CB 3.5Å; N119-K123 PolarHBondContact O-N 2.86Å; D120-K123 WeakPolarHBondContact O-CB 3.44Å; D120-K123 PolarHBondContact O-N 3.48Å; Q121-K123 VanDerWaalsContact C-N 3.32Å; Q121-K123 PolarHBondContact O-N 2.85Å; K123-A126 PolarHBondContact O-N 3.35Å; K123-H127 WeakPolarHBondContact O-CB 3.44Å; K123-H127 PolarHBondContact O-N 3.3Å; K123-F614 HydrophobicContact CB-CZ 4.19Å
124M84.2Confident84.5Confident99 Ų9967.5 Ų67.549%0.48832%0.315SS..Hα-helixtrans-61.5-44.9173.3-69.7-178-17500111.8D120 Q121 H127 D128D120-M124 WeakPolarHBondContact O-CG 3.31Å; D120-M124 PolarHBondContact O-N 2.91Å; D120-M124 VanDerWaalsContact OD2-CE 3.22Å; D120-M124 WeakPolarHBondContact OD2-CE 3.18Å; Q121-M124 PolarHBondContact O-N 2.87Å; M124-H127 PolarHBondContact O-N 2.91Å; M124-D128 WeakPolarHBondContact O-CB 3.26Å; M124-D128 PolarHBondContact O-N 3.06Å
125I85Confident85.2Confident17 Ų1759.1 Ų59.19%0.08728%0.284CS..Hα-helixtrans-64.3-41.5177.8-67.9164.5000111.1Q121 Y122 D128 L129 F486 F611Q121-I125 VanDerWaalsContact O-CG1 3.25Å; Q121-I125 WeakPolarHBondContact O-CG1 3.44Å; Q121-I125 PolarHBondContact O-N 3.5Å; Y122-I125 HydrophobicContact CD1-CD1 4.36Å; Y122-I125 PolarHBondContact O-N 3.39Å; I125-D128 PolarHBondContact O-N 2.73Å; I125-L129 WeakPolarHBondContact O-CB 3.45Å; I125-L129 PolarHBondContact O-N 2.92Å; I125-F486 HydrophobicContact CG2-CB 4.01Å; I125-F611 HydrophobicContact CG2-CE2 4.24Å; I125-F611 HydrophobicContact CG2-CZ 4.42Å
126A85.8Confident85.8Confident6 Ų657.5 Ų57.55%0.0527%0.274CS..Hα-helixtrans-64.2-45.3176.700000111.1Y122 K123 L129 F130 F611Y122-A126 VanDerWaalsContact O-CB 3.27Å; Y122-A126 WeakPolarHBondContact O-CB 3.11Å; Y122-A126 PolarHBondContact O-N 2.88Å; K123-A126 PolarHBondContact O-N 3.35Å; A126-L129 WeakPolarHBondContact O-CB 3.38Å; A126-L129 PolarHBondContact O-N 3.35Å; A126-F130 HydrophobicContact CB-CE2 4.48Å; A126-F130 WeakPolarHBondContact O-CD2 3.37Å; A126-F130 PolarHBondContact O-N 2.83Å; A126-F611 HydrophobicContact CB-CE2 4.38Å; A126-F611 HydrophobicContact CB-CZ 4.17Å
127H85.2Confident86.3Confident102 Ų10255.2 Ų55.247%0.47227%0.272SS..Hα-helixtrans-59.8-47.3175.3-177.1-91.1000111.7K123 M124 L129 F130 I131K123-H127 WeakPolarHBondContact O-CB 3.44Å; K123-H127 PolarHBondContact O-N 3.3Å; M124-H127 PolarHBondContact O-N 2.91Å; H127-L129 VanDerWaalsContact C-N 3.33Å; H127-L129 PolarHBondContact O-N 3.01Å; H127-F130 PolarHBondContact O-N 2.87Å; H127-I131 WeakPolarHBondContact CE1-CD1 3.47Å; H127-I131 WeakPolarHBondContact O-CG1 3.46Å; H127-I131 PolarHBondContact O-N 3.37Å; H127-I131 VanDerWaalsContact O-N 3.16Å
128D85.6Confident86.8Confident23 Ų2350 Ų5012%0.12325%0.252CS..Hα-helixtrans-59.8-41.4175-77.5-1.8000111.1M124 I125 I131 Y132 R479 R482M124-D128 WeakPolarHBondContact O-CB 3.26Å; M124-D128 PolarHBondContact O-N 3.06Å; I125-D128 PolarHBondContact O-N 2.73Å; D128-I131 PolarHBondContact O-N 3.47Å; D128-Y132 WeakPolarHBondContact O-CA 3.28Å; D128-Y132 WeakPolarHBondContact O-CB 3.38Å; D128-Y132 PolarHBondContact O-N 3.27Å; D128-R479 IonicContact OD2-NH2 3.88Å; D128-R482 IonicContact OD2-CZ 3.55Å; D128-R482 IonicContact OD2-NE 2.71Å; D128-R482 PolarHBondContact OD2-NE 3.02Å; D128-R482 IonicContact OD2-NH1 2.69Å; D128-R482 IonicContact OD2-NH2 3.73Å; D128-R482 PolarHBondContact OD2-NH2 3.49Å
129L87.3Confident87.3Confident57 Ų5749.9 Ų49.930%0.29825%0.251SS..Hα-helixtrans-63.3-43.1176174.465.9000112.3I125 A126 H127 I131 G133 V483I125-L129 WeakPolarHBondContact O-CB 3.45Å; I125-L129 PolarHBondContact O-N 2.92Å; A126-L129 WeakPolarHBondContact O-CB 3.38Å; A126-L129 PolarHBondContact O-N 3.35Å; H127-L129 VanDerWaalsContact C-N 3.33Å; H127-L129 PolarHBondContact O-N 3.01Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 2.84Å; L129-G133 VanDerWaalsContact O-CA 3.25Å; L129-G133 WeakPolarHBondContact O-CA 3.49Å; L129-G133 PolarHBondContact O-N 3.42Å; L129-V483 HydrophobicContact CB-CG1 4.02Å; L129-V483 HydrophobicContact CD1-CG1 3.4Å; L129-V483 VanDerWaalsContact CD1-CG1 3.4Å; L129-V483 HydrophobicContact CG-CG1 4.25Å
130F85.5Confident87.7Confident116 Ų11651.2 Ų51.251%0.50926%0.257SS..Hα-helixtrans-68.5-28.5-178.6-80.3-63.1000113.2A126 H127 P134 F619A126-F130 HydrophobicContact CB-CE2 4.48Å; A126-F130 WeakPolarHBondContact O-CD2 3.37Å; A126-F130 PolarHBondContact O-N 2.83Å; H127-F130 PolarHBondContact O-N 2.87Å; F130-P134 WeakPolarHBondContact O-CD 3.44Å; F130-P134 WeakPolarHBondContact O-CG 3.42Å; F130-F619 HydrophobicContact CD2-CZ 4.46Å; F130-F619 HydrophobicContact CE2-CE1 4.32Å; F130-F619 AromaticContact CE2-CE2 3.95Å; F130-F619 HydrophobicContact CE2-CE2 3.95Å; F130-F619 AromaticContact CE2-CZ 3.54Å; F130-F619 HydrophobicContact CE2-CZ 3.54Å; F130-F619 HydrophobicContact CZ-CE2 4.41Å; F130-F619 HydrophobicContact CZ-CZ 4.07Å
131I85Confident88Confident40 Ų4050.4 Ų50.421%0.20526%0.257CS..Hα-helixtrans-89.8-48178.3-62.2-179000110.8H127 D128 L129 P134 F393 T396H127-I131 WeakPolarHBondContact CE1-CD1 3.47Å; H127-I131 WeakPolarHBondContact O-CG1 3.46Å; H127-I131 PolarHBondContact O-N 3.37Å; H127-I131 VanDerWaalsContact O-N 3.16Å; D128-I131 PolarHBondContact O-N 3.47Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 2.84Å; I131-P134 WeakPolarHBondContact O-CD 3.47Å; I131-P134 WeakPolarHBondContact O-CG 3.41Å; I131-F393 HydrophobicContact CG2-CD2 4.27Å; I131-T396 HydrophobicContact CD1-CG2 3.56Å
132Y88.3Confident88.3Confident7 Ų746.7 Ų46.73%0.02724%0.24CC..Hα-helixtrans-79.1-35.3-174.3-167.2-98.4000113.2D128 Y135 F136 F393 I419 T476 R479 L480 V483D128-Y132 WeakPolarHBondContact O-CA 3.28Å; D128-Y132 WeakPolarHBondContact O-CB 3.38Å; D128-Y132 PolarHBondContact O-N 3.27Å; Y132-Y135 HydrophobicContact CD2-CD1 4.11Å; Y132-Y135 AromaticContact CE2-CD1 3.73Å; Y132-Y135 HydrophobicContact CE2-CD1 3.73Å; Y132-Y135 HydrophobicContact CE2-CE1 4.12Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 PolarHBondContact O-N 2.89Å; Y132-F136 HydrophobicContact CD1-CB 4.39Å; Y132-F136 HydrophobicContact CE1-CB 4.04Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 3.5Å; Y132-F393 HydrophobicContact CD2-CE2 4.07Å; Y132-F393 HydrophobicContact CE2-CE2 4.48Å; Y132-I419 HydrophobicContact CE2-CD1 4.38Å; Y132-T476 VanDerWaalsContact OH-C 3.29Å; Y132-T476 WeakPolarHBondContact OH-CA 3.48Å; Y132-T476 WeakPolarHBondContact OH-CB 3.22Å; Y132-T476 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T476 PolarHBondContact OH-O 3.44Å; Y132-R479 HydrophobicContact CD2-CG 4.28Å; Y132-R479 HydrophobicContact CE1-CB 4.16Å; Y132-R479 HydrophobicContact CE1-CG 3.98Å; Y132-R479 HydrophobicContact CE2-CB 4.32Å; Y132-R479 HydrophobicContact CE2-CG 3.69Å; Y132-R479 WeakPolarHBondContact OH-CB 3.27Å; Y132-L480 HydrophobicContact CD1-CD2 4.04Å; Y132-L480 HydrophobicContact CE1-CD2 3.74Å; Y132-L480 HydrophobicContact CE1-CG 4.25Å; Y132-V483 HydrophobicContact CD1-CG2 4.09Å
133G88.4Confident88.5Confident16 Ų1647.2 Ų47.217%0.16525%0.245CC..Hα-helixtrans-53.6-54.2177.900000113.6L129 F136 L137L129-G133 VanDerWaalsContact O-CA 3.25Å; L129-G133 WeakPolarHBondContact O-CA 3.49Å; L129-G133 PolarHBondContact O-N 3.42Å; G133-F136 PolarHBondContact O-N 2.86Å; G133-L137 WeakPolarHBondContact O-CG 3.23Å; G133-L137 PolarHBondContact O-N 3.15Å; G133-L137 VanDerWaalsContact O-N 3.08Å
134P89.5Confident88.6Confident51 Ų5148.1 Ų48.133%0.33126%0.255SS..Hα-helixtrans-65.4-37.1175.925.2-33.1000112.1F130 I131 F136 L137 C138 V389F130-P134 WeakPolarHBondContact O-CD 3.44Å; F130-P134 WeakPolarHBondContact O-CG 3.42Å; I131-P134 WeakPolarHBondContact O-CD 3.47Å; I131-P134 WeakPolarHBondContact O-CG 3.41Å; P134-F136 PolarHBondContact O-N 3.2Å; P134-L137 PolarHBondContact O-N 2.98Å; P134-C138 VanDerWaalsContact O-CB 3.29Å; P134-C138 WeakPolarHBondContact O-CB 3.26Å; P134-C138 PolarHBondContact O-N 3.04Å; P134-C138 PolarHBondContact O-SG 2.9Å; P134-V389 HydrophobicContact CB-CG1 4.42Å
135Y91.7Very high88.7Confident0 Ų045.9 Ų45.90%025%0.247CC..Hα-helixtrans-58-50.4176170.9-102.9000111.9Y132 L137 C138 L139 Y386 V389 F390 I419 N423 T476Y132-Y135 HydrophobicContact CD2-CD1 4.11Å; Y132-Y135 AromaticContact CE2-CD1 3.73Å; Y132-Y135 HydrophobicContact CE2-CD1 3.73Å; Y132-Y135 HydrophobicContact CE2-CE1 4.12Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 PolarHBondContact O-N 2.89Å; Y135-L137 PolarHBondContact O-N 3.38Å; Y135-C138 PolarHBondContact O-N 3.44Å; Y135-L139 WeakPolarHBondContact O-CB 3.5Å; Y135-L139 PolarHBondContact O-N 3.24Å; Y135-Y386 HydrophobicContact CD2-CE2 4.48Å; Y135-Y386 AromaticContact CE2-CE2 3.89Å; Y135-Y386 HydrophobicContact CE2-CE2 3.89Å; Y135-V389 HydrophobicContact CD2-CG1 4.39Å; Y135-F390 HydrophobicContact CE2-CB 4.49Å; Y135-F390 AromaticContact CE2-CD2 3.99Å; Y135-F390 HydrophobicContact CE2-CD2 3.99Å; Y135-I419 HydrophobicContact CE1-CG2 4.19Å; Y135-N423 PolarHBondContact OH-ND2 2.69Å; Y135-N423 PolarHBondContact OH-OD1 3.49Å; Y135-T476 HydrophobicContact CE1-CG2 3.81Å
136F92.3Very high88.5Confident33 Ų3348.2 Ų48.215%0.14526%0.262CS..Hα-helixtrans-60.4-46.7178.1175.5-98.1000111.9Y132 G133 P134 C138 L139 M140 T477 L480Y132-F136 HydrophobicContact CD1-CB 4.39Å; Y132-F136 HydrophobicContact CE1-CB 4.04Å; Y132-F136 WeakPolarHBondContact O-CB 3.26Å; Y132-F136 PolarHBondContact O-N 3.5Å; G133-F136 PolarHBondContact O-N 2.86Å; P134-F136 PolarHBondContact O-N 3.2Å; F136-C138 PolarHBondContact O-N 3.5Å; F136-L139 PolarHBondContact O-N 2.93Å; F136-M140 HydrophobicContact CD1-CG 4.38Å; F136-M140 HydrophobicContact CD2-CE 4.28Å; F136-M140 HydrophobicContact CE1-CG 3.84Å; F136-M140 HydrophobicContact CE2-CE 3.71Å; F136-M140 HydrophobicContact CE2-CG 4.01Å; F136-M140 HydrophobicContact CE2-SD 4.24Å; F136-M140 HydrophobicContact CZ-CE 4.16Å; F136-M140 HydrophobicContact CZ-CG 3.62Å; F136-M140 HydrophobicContact CZ-SD 4.08Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 3.13Å; F136-T477 HydrophobicContact CE2-CG2 3.75Å; F136-T477 HydrophobicContact CZ-CG2 4.21Å; F136-L480 HydrophobicContact CB-CD2 4.34Å; F136-L480 HydrophobicContact CD1-CD1 4.13Å; F136-L480 HydrophobicContact CD1-CD2 4.14Å; F136-L480 HydrophobicContact CD2-CD1 4.02Å; F136-L480 HydrophobicContact CD2-CD2 4.25Å; F136-L480 HydrophobicContact CD2-CG 4.19Å; F136-L480 HydrophobicContact CE1-CD1 3.79Å; F136-L480 HydrophobicContact CE2-CD1 3.67Å; F136-L480 HydrophobicContact CE2-CG 4.29Å; F136-L480 HydrophobicContact CG-CD1 4.25Å; F136-L480 HydrophobicContact CG-CD2 3.95Å; F136-L480 HydrophobicContact CG-CG 4.38Å; F136-L480 HydrophobicContact CZ-CD1 3.56Å
137L92.1Very high88.4Confident116 Ų11652.3 Ų52.361%0.60728%0.276SS*.Hα-helixtrans-63.9-40.4178.7-72.6175000112.2G133 P134 Y135 M140 C141G133-L137 WeakPolarHBondContact O-CG 3.23Å; G133-L137 PolarHBondContact O-N 3.15Å; G133-L137 VanDerWaalsContact O-N 3.08Å; P134-L137 PolarHBondContact O-N 2.98Å; Y135-L137 PolarHBondContact O-N 3.38Å; L137-M140 PolarHBondContact O-N 3.22Å; L137-C141 VanDerWaalsContact O-CB 3.3Å; L137-C141 WeakPolarHBondContact O-CB 3.46Å; L137-C141 PolarHBondContact O-N 3.02Å
138C92.4Very high88.2Confident22 Ų2250.4 Ų50.415%0.14927%0.27CS..Hα-helixtrans-67.8-40.3177.3-65.70000111.4P134 Y135 F136 C141 L142 I385 Y386P134-C138 VanDerWaalsContact O-CB 3.29Å; P134-C138 WeakPolarHBondContact O-CB 3.26Å; P134-C138 PolarHBondContact O-N 3.04Å; P134-C138 PolarHBondContact O-SG 2.9Å; Y135-C138 PolarHBondContact O-N 3.44Å; F136-C138 PolarHBondContact O-N 3.5Å; C138-C141 PolarHBondContact O-N 3.3Å; C138-L142 WeakPolarHBondContact O-CB 3.44Å; C138-L142 PolarHBondContact O-N 2.85Å; C138-I385 VanDerWaalsContact SG-CG2 3.56Å; C138-Y386 HydrophobicContact CB-CD2 4.34Å
139L92.2Very high88.4Confident5 Ų556.8 Ų56.83%0.02630%0.299CS..Hα-helixtrans-60-48173.9-178.566.1000111.1Y135 F136 C141 L142 V143 Y386 L472 T476Y135-L139 WeakPolarHBondContact O-CB 3.5Å; Y135-L139 PolarHBondContact O-N 3.24Å; F136-L139 PolarHBondContact O-N 2.93Å; L139-C141 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 2.71Å; L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.32Å; L139-V143 PolarHBondContact O-N 2.88Å; L139-Y386 HydrophobicContact CB-CD2 4.45Å; L139-Y386 HydrophobicContact CB-CE2 3.89Å; L139-Y386 HydrophobicContact CD1-CE2 3.6Å; L139-Y386 HydrophobicContact CG-CE2 4.34Å; L139-L472 HydrophobicContact CD1-CD2 4.13Å; L139-L472 HydrophobicContact CD2-CG 4.3Å; L139-T476 HydrophobicContact CD2-CG2 3.9Å; L139-T476 WeakPolarHBondContact CD2-OG1 3.38Å
140M92Very high88.4Confident47 Ų4756.4 Ų56.423%0.23230%0.299CS..Hα-helixtrans-61.6-43.3176.8-70.1-55.1112.600111.8F136 L137 V143 L144 I473F136-M140 HydrophobicContact CD1-CG 4.38Å; F136-M140 HydrophobicContact CD2-CE 4.28Å; F136-M140 HydrophobicContact CE1-CG 3.84Å; F136-M140 HydrophobicContact CE2-CE 3.71Å; F136-M140 HydrophobicContact CE2-CG 4.01Å; F136-M140 HydrophobicContact CE2-SD 4.24Å; F136-M140 HydrophobicContact CZ-CE 4.16Å; F136-M140 HydrophobicContact CZ-CG 3.62Å; F136-M140 HydrophobicContact CZ-SD 4.08Å; F136-M140 WeakPolarHBondContact O-CG 3.45Å; F136-M140 PolarHBondContact O-N 3.13Å; L137-M140 PolarHBondContact O-N 3.22Å; M140-V143 PolarHBondContact O-N 3.19Å; M140-L144 VanDerWaalsContact O-CG 3.32Å; M140-L144 WeakPolarHBondContact O-CG 3.5Å; M140-L144 PolarHBondContact O-N 3.4Å; M140-I473 HydrophobicContact CE-CB 4.26Å; M140-I473 HydrophobicContact CE-CG1 4.06Å; M140-I473 HydrophobicContact CE-CG2 3.62Å; M140-I473 HydrophobicContact SD-CG2 4.4Å
141C91.7Very high88.6Confident62 Ų6252.4 Ų52.442%0.41928%0.283SS..Hα-helixtrans-62.3-45.4177.2-175.70000111.6L137 C138 L139 V143 L144 V145L137-C141 VanDerWaalsContact O-CB 3.3Å; L137-C141 WeakPolarHBondContact O-CB 3.46Å; L137-C141 PolarHBondContact O-N 3.02Å; C138-C141 PolarHBondContact O-N 3.3Å; L139-C141 PolarHBondContact O-N 2.95Å; C141-V143 VanDerWaalsContact C-N 3.34Å; C141-V143 PolarHBondContact O-N 3.32Å; C141-L144 PolarHBondContact O-N 2.95Å; C141-V145 WeakPolarHBondContact O-CG2 3.25Å; C141-V145 PolarHBondContact O-N 3.02Å
142L90Very high88.9Confident22 Ų2257.5 Ų57.512%0.11530%0.3CS..Hα-helixtrans-59.4-44.8177.3-177.568.6000111.4C138 L139 V145 T146 A382 L383 Y386C138-L142 WeakPolarHBondContact O-CB 3.44Å; C138-L142 PolarHBondContact O-N 2.85Å; L139-L142 PolarHBondContact O-N 2.71Å; L142-V145 PolarHBondContact O-N 2.93Å; L142-T146 HydrophobicContact CD1-CG2 3.94Å; L142-T146 HydrophobicContact CG-CG2 4.26Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 VanDerWaalsContact O-CG2 3.28Å; L142-T146 WeakPolarHBondContact O-CG2 3.37Å; L142-T146 PolarHBondContact O-N 2.9Å; L142-T146 PolarHBondContact O-OG1 2.87Å; L142-A382 HydrophobicContact CD1-CB 4.36Å; L142-L383 HydrophobicContact CD1-CB 4.22Å; L142-L383 HydrophobicContact CD1-CD1 4.19Å; L142-Y386 HydrophobicContact CD2-CD1 3.65Å; L142-Y386 HydrophobicContact CD2-CD2 4.07Å; L142-Y386 HydrophobicContact CD2-CE1 4.1Å; L142-Y386 HydrophobicContact CD2-CE2 4.48Å; L142-Y386 HydrophobicContact CD2-CG 3.63Å
143V89.2Confident89.1Confident27 Ų2762 Ų6216%0.16432%0.322CS..Hα-helixtrans-63.6-43.1178.5174.70000111L139 M140 C141 V145 T146 R147 I469 I473L139-V143 VanDerWaalsContact O-CG2 3.25Å; L139-V143 WeakPolarHBondContact O-CG2 3.32Å; L139-V143 PolarHBondContact O-N 2.88Å; M140-V143 PolarHBondContact O-N 3.19Å; C141-V143 VanDerWaalsContact C-N 3.34Å; C141-V143 PolarHBondContact O-N 3.32Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 3.32Å; V143-T146 PolarHBondContact O-N 2.93Å; V143-T146 PolarHBondContact O-OG1 3.14Å; V143-R147 HydrophobicContact CG1-CG 3.87Å; V143-R147 VanDerWaalsContact O-CB 3.25Å; V143-R147 WeakPolarHBondContact O-CB 3.46Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.49Å; V143-I469 HydrophobicContact CG2-CG2 4.36Å; V143-I473 HydrophobicContact CB-CD1 4.32Å; V143-I473 HydrophobicContact CG1-CD1 3.88Å; V143-I473 HydrophobicContact CG2-CD1 3.65Å; V143-I473 HydrophobicContact CG2-CG1 4.22Å
144L88Confident89.3Confident142 Ų14262.2 Ų62.274%0.74332%0.319SS*.Hα-helixtrans-62.8-34.8176.9-73.2170.7000113M140 C141M140-L144 VanDerWaalsContact O-CG 3.32Å; M140-L144 WeakPolarHBondContact O-CG 3.5Å; M140-L144 PolarHBondContact O-N 3.4Å; C141-L144 PolarHBondContact O-N 2.95Å
145V85.5Confident89.5Confident52 Ų5261.6 Ų61.632%0.31531%0.314SS..Hα-helixtrans-82.4-31.5-179.4-1800000112.3C141 L142 V143C141-V145 WeakPolarHBondContact O-CG2 3.25Å; C141-V145 PolarHBondContact O-N 3.02Å; L142-V145 PolarHBondContact O-N 2.93Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 3.32Å
146T81.2Confident89.6Confident67 Ų6767.8 Ų67.841%0.41134%0.338SS..Hα-helixtrans-86.8-26.5-177.8530000113.6L142 V143 D148L142-T146 HydrophobicContact CD1-CG2 3.94Å; L142-T146 HydrophobicContact CG-CG2 4.26Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 VanDerWaalsContact O-CG2 3.28Å; L142-T146 WeakPolarHBondContact O-CG2 3.37Å; L142-T146 PolarHBondContact O-N 2.9Å; L142-T146 PolarHBondContact O-OG1 2.87Å; V143-T146 PolarHBondContact O-N 2.93Å; V143-T146 PolarHBondContact O-OG1 3.14Å; T146-D148 PolarHBondContact O-N 3.35Å
147R83.8Confident89.7Confident91 Ų9170.9 Ų70.934%0.34336%0.355SS..  trans-86.5112.7-177.2-67-67.1170.3-178.3-3.2111.3V143 T466V143-R147 HydrophobicContact CG1-CG 3.87Å; V143-R147 VanDerWaalsContact O-CB 3.25Å; V143-R147 WeakPolarHBondContact O-CB 3.46Å; V143-R147 WeakPolarHBondContact O-CG 3.35Å; V143-R147 PolarHBondContact O-N 3.49Å; R147-T466 PolarHBondContact NH1-OG1 3.46Å; R147-T466 PolarHBondContact NH2-OG1 2.92Å
148D81.5Confident89.7Confident62 Ų6265.5 Ų65.533%0.33233%0.326SS..  trans-91.6132176.1-170.6-1000111.5T146 T150 L151 K367T146-D148 PolarHBondContact O-N 3.35Å; D148-T150 VanDerWaalsContact C-N 3.27Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.49Å; D148-T150 PolarHBondContact OD1-N 3.39Å; D148-T150 PolarHBondContact OD1-OG1 2.98Å; D148-T150 PolarHBondContact OD2-OG1 3.28Å; D148-L151 HydrophobicContact CB-CD1 3.67Å; D148-L151 WeakPolarHBondContact O-CD1 3.49Å; D148-K367 VanDerWaalsContact OD2-CE 3.32Å; D148-K367 WeakPolarHBondContact OD2-CE 3.18Å; D148-K367 IonicContact OD2-NZ 2.66Å; D148-K367 PolarHBondContact OD2-NZ 3.4Å
149Q88.1Confident89.8Confident157 Ų15766 Ų6673%0.73433%0.329SS*.THydrogen-bonded Turntrans-72.5-22.9178.5-63.8178.1-12.500112L151 Y152 H153Q149-L151 PolarHBondContact O-N 2.84Å; Q149-Y152 PolarHBondContact O-N 3.07Å; Q149-H153 PolarHBondContact O-CD2 3.4Å
150T87.8Confident89.8Confident50 Ų5068.5 Ų68.531%0.30734%0.342SS..Hα-helixtrans-60.4-29.7-18062.40000112.8D148 Y152 H153 N154 V339D148-T150 VanDerWaalsContact C-N 3.27Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.49Å; D148-T150 PolarHBondContact OD1-N 3.39Å; D148-T150 PolarHBondContact OD1-OG1 2.98Å; D148-T150 PolarHBondContact OD2-OG1 3.28Å; T150-Y152 VanDerWaalsContact C-N 3.33Å; T150-Y152 PolarHBondContact O-N 3.49Å; T150-H153 PolarHBondContact O-N 3.39Å; T150-N154 VanDerWaalsContact O-CB 3.27Å; T150-N154 WeakPolarHBondContact O-CB 3.24Å; T150-N154 PolarHBondContact O-N 3.47Å; T150-V339 HydrophobicContact CG2-CG1 4.4Å
151L89.5Confident89.8Confident32 Ų3267.1 Ų67.117%0.16834%0.335CS..Hα-helixtrans-58.9-44.6178-79.781.3000111.6D148 Q149 T155 L341 K367D148-L151 HydrophobicContact CB-CD1 3.67Å; D148-L151 WeakPolarHBondContact O-CD1 3.49Å; Q149-L151 PolarHBondContact O-N 2.84Å; L151-T155 WeakPolarHBondContact O-CB 3.43Å; L151-T155 PolarHBondContact O-N 2.94Å; L151-T155 PolarHBondContact O-OG1 2.97Å; L151-T155 VanDerWaalsContact O-OG1 3.13Å; L151-L341 HydrophobicContact CD1-CD2 3.96Å; L151-L341 HydrophobicContact CD2-CD2 4.5Å; L151-L341 HydrophobicContact CG-CD2 3.72Å; L151-K367 HydrophobicContact CD1-CD 4.24Å; L151-K367 HydrophobicContact CD1-CG 4.19Å
152Y92Very high89.9Confident147 Ų14764.1 Ų64.158%0.57632%0.315SS*.Hα-helixtrans-65.2-46.6-179.8171.2-100000111.3Q149 T150 R156Q149-Y152 PolarHBondContact O-N 3.07Å; T150-Y152 VanDerWaalsContact C-N 3.33Å; T150-Y152 PolarHBondContact O-N 3.49Å; Y152-R156 WeakPolarHBondContact O-CB 3.37Å; Y152-R156 PolarHBondContact O-N 3.08Å
153H92.7Very high90Very high102 Ų10265.3 Ų65.347%0.47232%0.321SS..Hα-helixtrans-64.1-43.1179.6-69.6-65.9000111.8Q149 T150 R156 I157Q149-H153 PolarHBondContact O-CD2 3.4Å; T150-H153 PolarHBondContact O-N 3.39Å; H153-R156 PolarHBondContact O-N 3.18Å; H153-I157 WeakPolarHBondContact O-CB 2.97Å; H153-I157 WeakPolarHBondContact O-CD1 3.23Å; H153-I157 WeakPolarHBondContact O-CG1 3.47Å; H153-I157 PolarHBondContact O-N 2.83Å
154N92.5Very high90.2Very high20 Ų2069.8 Ų69.811%0.10734%0.336CS..Hα-helixtrans-63.6-47.3178.2-174.764000112T150 R156 I157 I158 L341 S343 S365T150-N154 VanDerWaalsContact O-CB 3.27Å; T150-N154 WeakPolarHBondContact O-CB 3.24Å; T150-N154 PolarHBondContact O-N 3.47Å; N154-R156 VanDerWaalsContact C-N 3.35Å; N154-R156 PolarHBondContact O-N 2.86Å; N154-I157 PolarHBondContact O-N 2.94Å; N154-I158 VanDerWaalsContact O-CG1 3.29Å; N154-I158 WeakPolarHBondContact O-CG1 3.37Å; N154-I158 PolarHBondContact O-N 3.04Å; N154-L341 HydrophobicContact CB-CD1 4.06Å; N154-S343 PolarHBondContact ND2-OG 2.92Å; N154-S365 PolarHBondContact ND2-OG 3.4Å; N154-S365 VanDerWaalsContact ND2-OG 3.09Å
155T93.6Very high90.2Very high38 Ų3866.7 Ų66.723%0.23332%0.32CS..Hα-helixtrans-57.3-48.7175.2-65.90000111.2L151 I157 I158 T159 V363 S365L151-T155 WeakPolarHBondContact O-CB 3.43Å; L151-T155 PolarHBondContact O-N 2.94Å; L151-T155 PolarHBondContact O-OG1 2.97Å; L151-T155 VanDerWaalsContact O-OG1 3.13Å; T155-I157 PolarHBondContact O-N 3.4Å; T155-I158 PolarHBondContact O-N 3.19Å; T155-T159 HydrophobicContact CG2-CG2 4.37Å; T155-T159 WeakPolarHBondContact O-CG2 3.49Å; T155-T159 PolarHBondContact O-N 3.46Å; T155-T159 PolarHBondContact O-OG1 2.93Å; T155-V363 HydrophobicContact CG2-CB 4.3Å; T155-V363 HydrophobicContact CG2-CG1 4.47Å; T155-V363 WeakPolarHBondContact CG2-O 3.29Å; T155-S365 WeakPolarHBondContact OG1-CB 3.42Å; T155-S365 PolarHBondContact OG1-OG 2.76Å
156R94.6Very high90.1Very high130 Ų13067.7 Ų67.749%0.49132%0.321SS..Hα-helixtrans-61.9-44.7-179.7-179.8178171.8-175.8-2.8112.6Y152 H153 N154 T159 D160Y152-R156 WeakPolarHBondContact O-CB 3.37Å; Y152-R156 PolarHBondContact O-N 3.08Å; H153-R156 PolarHBondContact O-N 3.18Å; N154-R156 VanDerWaalsContact C-N 3.35Å; N154-R156 PolarHBondContact O-N 2.86Å; R156-T159 WeakPolarHBondContact CA-OG1 3.49Å; R156-T159 PolarHBondContact O-N 2.94Å; R156-T159 PolarHBondContact O-OG1 2.72Å; R156-D160 IonicContact NE-OD2 3.47Å; R156-D160 WeakPolarHBondContact O-CB 3.31Å; R156-D160 PolarHBondContact O-N 3.18Å
157I92.6Very high90Very high98 Ų9870.8 Ų70.850%0.50334%0.34SS..Hα-helixtrans-62.2-47179.9-71.2164.8000109.9H153 N154 T155 T159 D160 L161H153-I157 WeakPolarHBondContact O-CB 2.97Å; H153-I157 WeakPolarHBondContact O-CD1 3.23Å; H153-I157 WeakPolarHBondContact O-CG1 3.47Å; H153-I157 PolarHBondContact O-N 2.83Å; N154-I157 PolarHBondContact O-N 2.94Å; T155-I157 PolarHBondContact O-N 3.4Å; I157-T159 PolarHBondContact O-N 3.36Å; I157-D160 PolarHBondContact O-N 3.38Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 3.08Å
158I93.1Very high89.5Confident2 Ų272.4 Ų72.41%0.0136%0.355CS..Hα-helixtrans-66.5-38.3-179.6-62.7171.2000111.3N154 T155 L161 F162 L334 S343 V363N154-I158 VanDerWaalsContact O-CG1 3.29Å; N154-I158 WeakPolarHBondContact O-CG1 3.37Å; N154-I158 PolarHBondContact O-N 3.04Å; T155-I158 PolarHBondContact O-N 3.19Å; I158-L161 PolarHBondContact O-N 2.98Å; I158-F162 HydrophobicContact CG2-CD2 3.75Å; I158-F162 HydrophobicContact CG2-CE2 3.54Å; I158-F162 VanDerWaalsContact O-CD2 3.25Å; I158-F162 WeakPolarHBondContact O-CD2 3.46Å; I158-F162 PolarHBondContact O-N 2.86Å; I158-L334 HydrophobicContact CG2-CD1 4.43Å; I158-S343 VanDerWaalsContact CD1-OG 3.22Å; I158-S343 WeakPolarHBondContact CD1-OG 3.49Å; I158-V363 HydrophobicContact CB-CG1 4.08Å; I158-V363 HydrophobicContact CB-CG2 4.41Å; I158-V363 HydrophobicContact CG2-CB 4.47Å; I158-V363 HydrophobicContact CG2-CG1 3.87Å; I158-V363 HydrophobicContact CG2-CG2 3.8Å
159T94.6Very high89.5Confident33 Ų3370 Ų7020%0.20234%0.342CS..Hα-helixtrans-62.6-44.9174.352.90000111.6T155 R156 I157 L161 F162 M163 V361 V363T155-T159 HydrophobicContact CG2-CG2 4.37Å; T155-T159 WeakPolarHBondContact O-CG2 3.49Å; T155-T159 PolarHBondContact O-N 3.46Å; T155-T159 PolarHBondContact O-OG1 2.93Å; R156-T159 WeakPolarHBondContact CA-OG1 3.49Å; R156-T159 PolarHBondContact O-N 2.94Å; R156-T159 PolarHBondContact O-OG1 2.72Å; I157-T159 PolarHBondContact O-N 3.36Å; T159-L161 VanDerWaalsContact C-N 3.35Å; T159-F162 PolarHBondContact O-N 3.48Å; T159-M163 VanDerWaalsContact O-CB 3.22Å; T159-M163 WeakPolarHBondContact O-CB 3.48Å; T159-M163 PolarHBondContact O-N 3.37Å; T159-V361 HydrophobicContact CG2-CG1 4.37Å; T159-V363 HydrophobicContact CG2-CB 3.73Å; T159-V363 HydrophobicContact CG2-CG2 3.61Å
160D93.1Very high89.4Confident57 Ų5765.2 Ų65.231%0.30532%0.323SS..Hα-helixtrans-66.7-39.2-178.7-68.3-10.8000110.6R156 I157 F162 M163 Y164R156-D160 IonicContact NE-OD2 3.47Å; R156-D160 WeakPolarHBondContact O-CB 3.31Å; R156-D160 PolarHBondContact O-N 3.18Å; I157-D160 PolarHBondContact O-N 3.38Å; D160-F162 PolarHBondContact O-N 2.94Å; D160-M163 PolarHBondContact O-N 2.79Å; D160-Y164 HydrophobicContact CB-CD2 4.15Å; D160-Y164 HydrophobicContact CB-CE2 4.38Å; D160-Y164 WeakPolarHBondContact O-CD2 3.27Å; D160-Y164 PolarHBondContact O-N 2.96Å
161L91.8Very high89.6Confident18 Ų1862.8 Ų62.89%0.09431%0.309CS..Hα-helixtrans-62.7-35.5177.8-76.4172.1000113.5I157 I158 T159 Y169 W205 H207I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.22Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 3.08Å; I158-L161 PolarHBondContact O-N 2.98Å; T159-L161 VanDerWaalsContact C-N 3.35Å; L161-Y169 VanDerWaalsContact O-CE2 3.28Å; L161-Y169 WeakPolarHBondContact O-CE2 3.44Å; L161-Y169 PolarHBondContact O-OH 2.82Å; L161-W205 HydrophobicContact CB-CH2 3.62Å; L161-W205 HydrophobicContact CB-CZ2 4.21Å; L161-W205 HydrophobicContact CD1-CH2 3.57Å; L161-W205 HydrophobicContact CD1-CZ2 4.41Å; L161-W205 HydrophobicContact CD1-CZ3 3.7Å; L161-W205 HydrophobicContact CG-CH2 4.2Å; L161-H207 HydrophobicContact CD1-CB 4.44Å; L161-H207 HydrophobicContact CD2-CB 3.97Å
162F93.3Very high89.7Confident0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-88.6-25.6177.2-73-57.7000113.5I158 T159 D160 L172 T188 L189 F193 W205 F332 L334 L347 V361I158-F162 HydrophobicContact CG2-CD2 3.75Å; I158-F162 HydrophobicContact CG2-CE2 3.54Å; I158-F162 VanDerWaalsContact O-CD2 3.25Å; I158-F162 WeakPolarHBondContact O-CD2 3.46Å; I158-F162 PolarHBondContact O-N 2.86Å; T159-F162 PolarHBondContact O-N 3.48Å; D160-F162 PolarHBondContact O-N 2.94Å; F162-L172 WeakPolarHBondContact O-CB 3.43Å; F162-L172 PolarHBondContact O-N 3.03Å; F162-T188 HydrophobicContact CD1-CG2 4.04Å; F162-T188 HydrophobicContact CE1-CG2 4.16Å; F162-L189 HydrophobicContact CE1-CD2 3.87Å; F162-F193 HydrophobicContact CZ-CZ 4.43Å; F162-W205 HydrophobicContact CD1-CZ2 4.4Å; F162-W205 HydrophobicContact CD2-CH2 4.4Å; F162-W205 AromaticContact CE1-CH2 3.98Å; F162-W205 HydrophobicContact CE1-CH2 3.98Å; F162-W205 AromaticContact CE1-CZ2 3.73Å; F162-W205 HydrophobicContact CE1-CZ2 3.73Å; F162-W205 AromaticContact CE2-CH2 3.83Å; F162-W205 HydrophobicContact CE2-CH2 3.83Å; F162-W205 HydrophobicContact CE2-CZ2 4.41Å; F162-W205 HydrophobicContact CE2-CZ3 4.36Å; F162-W205 AromaticContact CZ-CH2 3.55Å; F162-W205 HydrophobicContact CZ-CH2 3.55Å; F162-W205 AromaticContact CZ-CZ2 3.71Å; F162-W205 HydrophobicContact CZ-CZ2 3.71Å; F162-W205 HydrophobicContact CZ-CZ3 4.19Å; F162-F332 HydrophobicContact CE1-CZ 4.01Å; F162-F332 HydrophobicContact CE2-CE2 4.07Å; F162-F332 AromaticContact CE2-CZ 3.74Å; F162-F332 HydrophobicContact CE2-CZ 3.74Å; F162-F332 AromaticContact CZ-CE2 3.77Å; F162-F332 HydrophobicContact CZ-CE2 3.77Å; F162-F332 AromaticContact CZ-CZ 3.42Å; F162-F332 HydrophobicContact CZ-CZ 3.42Å; F162-F332 VanDerWaalsContact CZ-CZ 3.42Å; F162-L334 HydrophobicContact CE2-CD1 4.42Å; F162-L347 HydrophobicContact CB-CD2 4.02Å; F162-L347 HydrophobicContact CD1-CD1 4.25Å; F162-L347 HydrophobicContact CD2-CD2 4.18Å; F162-L347 HydrophobicContact CG-CD1 4.44Å; F162-L347 HydrophobicContact CG-CD2 4.05Å; F162-V361 HydrophobicContact CB-CG1 4.01Å; F162-V361 HydrophobicContact CB-CG2 4.24Å
163M92.8Very high89.7Confident46 Ų4658.5 Ų58.523%0.22729%0.293CS..Hα-helixtrans-78.9-46.6-178.3-170.765.1-179.800112T159 D160 L172 Q173 V361T159-M163 VanDerWaalsContact O-CB 3.22Å; T159-M163 WeakPolarHBondContact O-CB 3.48Å; T159-M163 PolarHBondContact O-N 3.37Å; D160-M163 PolarHBondContact O-N 2.79Å; M163-L172 PolarHBondContact O-N 2.93Å; M163-Q173 HydrophobicContact CE-CB 4.09Å; M163-Q173 HydrophobicContact CE-CG 4.18Å; M163-Q173 WeakPolarHBondContact O-CB 3.41Å; M163-Q173 PolarHBondContact O-N 3Å; M163-Q173 HydrophobicContact SD-CB 4.4Å; M163-V361 HydrophobicContact SD-CG2 4.19Å
164Y92.4Very high89.6Confident121 Ų12157.5 Ų57.548%0.47529%0.288SS..SBendtrans-101.1152.8-171.2-58.5-64.2000113.2D160 H166D160-Y164 HydrophobicContact CB-CD2 4.15Å; D160-Y164 HydrophobicContact CB-CE2 4.38Å; D160-Y164 WeakPolarHBondContact O-CD2 3.27Å; D160-Y164 PolarHBondContact O-N 2.96Å; Y164-H166 PolarHBondContact O-CE1 2.96Å; Y164-H166 PolarHBondContact O-ND1 2.88Å
165N88.4Confident89.6Confident77 Ų7756.8 Ų56.841%0.41229%0.285SS..  trans-67.2144173.7-71.5-15.4000112G171 E174N165-G171 PolarHBondContact OD1-N 3.38Å; N165-E174 VanDerWaalsContact CG-CG 3.47Å; N165-E174 WeakPolarHBondContact ND2-CG 3.35Å; N165-E174 PolarHBondContact ND2-OE1 3.48Å; N165-E174 WeakPolarHBondContact OD1-CG 3.25Å
166H83.5Confident89.4Confident74 Ų7461.7 Ų61.734%0.34330%0.3SS..  trans-125.2177.1170.7-67.774.9000109.1Y164 D168 Y169Y164-H166 PolarHBondContact O-CE1 2.96Å; Y164-H166 PolarHBondContact O-ND1 2.88Å; H166-D168 PolarHBondContact O-N 3.43Å; H166-Y169 HydrophobicContact CB-CD1 4.06Å; H166-Y169 HydrophobicContact CB-CE1 3.45Å; H166-Y169 VanDerWaalsContact CB-CE1 3.45Å; H166-Y169 AromaticContact CG-CE1 3.9Å; H166-Y169 AromaticContact CG-CZ 3.78Å; H166-Y169 PolarHBondContact N-O 2.9Å; H166-Y169 AromaticContact ND1-CZ 3.6Å; H166-Y169 PolarHBondContact ND1-OH 3.13Å
167T79.5Confident89.2Confident132 Ų13262 Ų6281%0.8131%0.305SS*.SBendtrans-58.6-33.7-172.748.40000113.6
168D72.8Confident89.2Confident124 Ų12458.3 Ų58.366%0.66329%0.286SS*.SBendtrans-110.4-10.4-165.8-51.1-27.9000113.4H166 H207H166-D168 PolarHBondContact O-N 3.43Å; D168-H207 IonicContact OD2-CE1 2.91Å
169Y81.9Confident88.9Confident12 Ų1263.4 Ų63.45%0.04731%0.314CS..SBendtrans-154.4162.5-175.169-84.7000113L161 H166 T188 H207L161-Y169 VanDerWaalsContact O-CE2 3.28Å; L161-Y169 WeakPolarHBondContact O-CE2 3.44Å; L161-Y169 PolarHBondContact O-OH 2.82Å; H166-Y169 HydrophobicContact CB-CD1 4.06Å; H166-Y169 HydrophobicContact CB-CE1 3.45Å; H166-Y169 VanDerWaalsContact CB-CE1 3.45Å; H166-Y169 AromaticContact CG-CE1 3.9Å; H166-Y169 AromaticContact CG-CZ 3.78Å; H166-Y169 PolarHBondContact N-O 2.9Å; H166-Y169 AromaticContact ND1-CZ 3.6Å; H166-Y169 PolarHBondContact ND1-OH 3.13Å; Y169-T188 HydrophobicContact CD2-CG2 3.36Å; Y169-T188 VanDerWaalsContact CD2-OG1 3.24Å; Y169-T188 WeakPolarHBondContact CD2-OG1 3.32Å; Y169-T188 HydrophobicContact CE2-CG2 3.61Å; Y169-T188 HydrophobicContact CG-CG2 4.22Å; Y169-H207 AromaticContact CD1-CD2 3.68Å; Y169-H207 AromaticContact CD1-CE1 3.87Å; Y169-H207 AromaticContact CD1-NE2 3.16Å; Y169-H207 WeakPolarHBondContact CD1-NE2 3.39Å; Y169-H207 AromaticContact CE1-CD2 3.03Å; Y169-H207 WeakPolarHBondContact CE1-CD2 3.37Å; Y169-H207 AromaticContact CE1-CE1 3.46Å; Y169-H207 VanDerWaalsContact CE1-CE1 3.46Å; Y169-H207 WeakPolarHBondContact CE1-CE1 3.44Å; Y169-H207 AromaticContact CE1-CG 3.67Å; Y169-H207 AromaticContact CE1-ND1 3.87Å; Y169-H207 AromaticContact CE1-NE2 2.92Å; Y169-H207 WeakPolarHBondContact CE1-NE2 3.34Å; Y169-H207 AromaticContact CZ-CD2 3.76Å
170T85.5Confident88.8Confident56 Ų5664.9 Ų64.934%0.34432%0.318SS..  trans-90.6135-177.555.90000111.1F184 S187 T188T170-F184 WeakPolarHBondContact O-CD2 3.42Å; T170-F184 WeakPolarHBondContact O-CE2 3.28Å; T170-S187 PolarHBondContact OG1-OG 2.97Å; T170-T188 PolarHBondContact O-OG1 2.97Å
171G90.8Very high88.8Confident0 Ų062.2 Ų62.20%030%0.304CS..  trans-77.2157.8169.900000110.8N165 Q173 E174N165-G171 PolarHBondContact OD1-N 3.38Å; G171-Q173 PolarHBondContact O-N 3.36Å; G171-Q173 VanDerWaalsContact O-N 3.14Å; G171-E174 PolarHBondContact O-N 3.06Å
172L92.4Very high88.9Confident0 Ų062.3 Ų62.30%030%0.304CS..G310 helixtrans-63-23.4-179.3-160.172000112.2F162 M163 E174 V175 L181 F184 L347 V349 P359 V361F162-L172 WeakPolarHBondContact O-CB 3.43Å; F162-L172 PolarHBondContact O-N 3.03Å; M163-L172 PolarHBondContact O-N 2.93Å; L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 3.39Å; L172-V175 HydrophobicContact CD1-CG2 4.34Å; L172-V175 WeakPolarHBondContact O-CB 3.4Å; L172-V175 PolarHBondContact O-N 3.14Å; L172-L181 HydrophobicContact CD1-CD1 4.41Å; L172-F184 HydrophobicContact CB-CE2 4.14Å; L172-F184 HydrophobicContact CB-CZ 4.24Å; L172-F184 HydrophobicContact CD1-CD1 3.88Å; L172-F184 HydrophobicContact CD1-CD2 4.33Å; L172-F184 HydrophobicContact CD1-CE1 3.64Å; L172-F184 HydrophobicContact CD1-CE2 4.11Å; L172-F184 HydrophobicContact CD1-CG 4.23Å; L172-F184 HydrophobicContact CD1-CZ 3.77Å; L172-L347 HydrophobicContact CD2-CB 4.21Å; L172-V349 HydrophobicContact CD1-CG2 3.68Å; L172-V349 HydrophobicContact CD2-CG2 4.18Å; L172-V349 HydrophobicContact CG-CG2 4.14Å; L172-P359 HydrophobicContact CB-CB 4.24Å; L172-P359 HydrophobicContact CD2-CB 3.77Å; L172-P359 HydrophobicContact CG-CB 3.63Å; L172-P359 VanDerWaalsContact O-CB 3.27Å; L172-P359 WeakPolarHBondContact O-CB 3.31Å; L172-P359 WeakPolarHBondContact O-CG 3.43Å; L172-V361 HydrophobicContact CB-CG2 4.3Å; L172-V361 HydrophobicContact CD2-CG2 3.74Å
173Q92Very high88.8Confident89 Ų8966.9 Ų66.942%0.41633%0.328SS..G310 helixtrans-64.4-26.2179.2-171172.6-6.500113.8M163 G171 V175M163-Q173 HydrophobicContact CE-CB 4.09Å; M163-Q173 HydrophobicContact CE-CG 4.18Å; M163-Q173 WeakPolarHBondContact O-CB 3.41Å; M163-Q173 PolarHBondContact O-N 3Å; M163-Q173 HydrophobicContact SD-CB 4.4Å; G171-Q173 PolarHBondContact O-N 3.36Å; G171-Q173 VanDerWaalsContact O-N 3.14Å; Q173-V175 VanDerWaalsContact C-N 3.29Å
174E90.7Very high88.9Confident81 Ų8164.7 Ų64.738%0.37932%0.317SS..G310 helixtrans-82.9-3.7178.5-64.9-62.6159.100113.7N165 G171 L172 Y176N165-E174 VanDerWaalsContact CG-CG 3.47Å; N165-E174 WeakPolarHBondContact ND2-CG 3.35Å; N165-E174 PolarHBondContact ND2-OE1 3.48Å; N165-E174 WeakPolarHBondContact OD1-CG 3.25Å; G171-E174 PolarHBondContact O-N 3.06Å; L172-E174 VanDerWaalsContact C-N 3.26Å; L172-E174 PolarHBondContact O-N 3.39Å; E174-Y176 WeakPolarHBondContact O-CD2 3.39Å; E174-Y176 PolarHBondContact O-N 3.44Å
175V91.6Very high88.9Confident5 Ų559 Ų593%0.0330%0.295CS..  trans-77.889.3179.5-176.40000109.1L172 Q173 F177 Q180 L181 F184 V349 I357L172-V175 HydrophobicContact CD1-CG2 4.34Å; L172-V175 WeakPolarHBondContact O-CB 3.4Å; L172-V175 PolarHBondContact O-N 3.14Å; Q173-V175 VanDerWaalsContact C-N 3.29Å; V175-F177 WeakPolarHBondContact CG1-O 3.43Å; V175-Q180 HydrophobicContact CG1-CB 4.44Å; V175-L181 HydrophobicContact CG1-CB 4.32Å; V175-F184 HydrophobicContact CG2-CB 4.07Å; V175-F184 HydrophobicContact CG2-CG 4.38Å; V175-V349 HydrophobicContact CG1-CG1 4.49Å; V175-I357 WeakPolarHBondContact O-CG2 3.35Å
176Y90.7Very high89.1Confident141 Ų14158.7 Ų58.755%0.55329%0.291SS*.  trans-86.8-32177.2-65.1-73.1000112.6E174 Q180 I357E174-Y176 WeakPolarHBondContact O-CD2 3.39Å; E174-Y176 PolarHBondContact O-N 3.44Å; Y176-Q180 VanDerWaalsContact N-OE1 3.1Å; Y176-I357 VanDerWaalsContact O-CD1 3.31Å; Y176-I357 WeakPolarHBondContact O-CD1 3.43Å; Y176-I357 WeakPolarHBondContact O-CG1 3.42Å
177F90.8Very high89.3Confident135 Ų13556.5 Ų56.559%0.59228%0.284SS*.SBendtrans-120.1149.8179.9-59.5-75.2000111.8V175 N179 Q180 I357V175-F177 WeakPolarHBondContact CG1-O 3.43Å; F177-N179 WeakPolarHBondContact CB-OD1 2.96Å; F177-N179 PolarHBondContact O-N 2.88Å; F177-Q180 HydrophobicContact CB-CG 4.29Å; F177-Q180 VanDerWaalsContact N-OE1 3.09Å; F177-Q180 WeakPolarHBondContact O-CB 3.49Å; F177-Q180 PolarHBondContact O-N 3.31Å; F177-Q180 VanDerWaalsContact O-N 3.13Å; F177-I357 VanDerWaalsContact CA-CD1 3.48Å
178L90.7Very high89.8Confident22 Ų2250.2 Ų50.212%0.11525%0.245CC..THydrogen-bonded Turntrans-69.6-26.9-170.1-173.266.9000111.7L181 L321 T325 V328 K351 I357L178-L181 HydrophobicContact CD1-CD2 4.4Å; L178-L181 WeakPolarHBondContact O-CB 3.41Å; L178-L181 PolarHBondContact O-N 2.91Å; L178-L321 HydrophobicContact CD1-CD1 4.25Å; L178-L321 HydrophobicContact CD1-CD2 4.41Å; L178-L321 HydrophobicContact CD2-CB 3.74Å; L178-L321 HydrophobicContact CD2-CD2 4.46Å; L178-L321 HydrophobicContact CD2-CG 4.5Å; L178-L321 HydrophobicContact CG-CB 3.91Å; L178-L321 HydrophobicContact CG-CD1 3.99Å; L178-L321 HydrophobicContact CG-CD2 4.46Å; L178-L321 HydrophobicContact CG-CG 4.33Å; L178-L321 WeakPolarHBondContact O-CD1 3.38Å; L178-T325 HydrophobicContact CD2-CG2 4.25Å; L178-V328 HydrophobicContact CD1-CG2 4.28Å; L178-K351 HydrophobicContact CD2-CD 4.29Å; L178-I357 HydrophobicContact CB-CD1 4.03Å
179N88.2Confident90.6Very high109 Ų10944.4 Ų44.458%0.58321%0.214SC*.THydrogen-bonded Turntrans-67.8-35.2174.157.4-19.9000112.5F177 L181 F182F177-N179 WeakPolarHBondContact CB-OD1 2.96Å; F177-N179 PolarHBondContact O-N 2.88Å; N179-L181 PolarHBondContact O-N 2.92Å; N179-L181 VanDerWaalsContact O-N 3.12Å; N179-F182 PolarHBondContact O-N 3.2Å
180Q92.1Very high90.9Very high64 Ų6444 Ų4430%0.29921%0.213SC..Hα-helixtrans-65.2-13.9176.5-64.6174.3-35.700112.8V175 Y176 F177 F182 D183 F184V175-Q180 HydrophobicContact CG1-CB 4.44Å; Y176-Q180 VanDerWaalsContact N-OE1 3.1Å; F177-Q180 HydrophobicContact CB-CG 4.29Å; F177-Q180 VanDerWaalsContact N-OE1 3.09Å; F177-Q180 WeakPolarHBondContact O-CB 3.49Å; F177-Q180 PolarHBondContact O-N 3.31Å; F177-Q180 VanDerWaalsContact O-N 3.13Å; Q180-F182 VanDerWaalsContact C-N 3.25Å; Q180-F182 PolarHBondContact O-N 2.92Å; Q180-D183 PolarHBondContact O-N 2.71Å; Q180-F184 PolarHBondContact O-N 3.31Å; Q180-F184 VanDerWaalsContact O-N 3.09Å
181L93.4Very high90.9Very high1 Ų145.4 Ų45.41%0.00522%0.218CC..Hα-helixtrans-62.3-34.4174.9-175.256.5000112L172 V175 L178 N179 F184 I185 L321 V328 I330 V349L172-L181 HydrophobicContact CD1-CD1 4.41Å; V175-L181 HydrophobicContact CG1-CB 4.32Å; L178-L181 HydrophobicContact CD1-CD2 4.4Å; L178-L181 WeakPolarHBondContact O-CB 3.41Å; L178-L181 PolarHBondContact O-N 2.91Å; N179-L181 PolarHBondContact O-N 2.92Å; N179-L181 VanDerWaalsContact O-N 3.12Å; L181-F184 HydrophobicContact CD1-CD1 4.23Å; L181-F184 PolarHBondContact O-N 2.64Å; L181-I185 HydrophobicContact CG-CD1 4.08Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.47Å; L181-L321 HydrophobicContact CB-CD1 4.28Å; L181-L321 HydrophobicContact CD2-CD1 4.08Å; L181-V328 HydrophobicContact CD2-CB 3.84Å; L181-V328 HydrophobicContact CD2-CG1 3.8Å; L181-V328 HydrophobicContact CD2-CG2 3.99Å; L181-I330 HydrophobicContact CD1-CD1 4.27Å; L181-V349 HydrophobicContact CD1-CG2 3.79Å; L181-V349 HydrophobicContact CD2-CB 4.38Å; L181-V349 HydrophobicContact CD2-CG2 4.43Å
182F93.5Very high90.7Very high19 Ų1945.9 Ų45.98%0.08322%0.222CC..Hα-helixtrans-67.1-40.8176.3-71.6-59.4000111.4N179 Q180 F184 I185 E186 I312 L315 W320 L321N179-F182 PolarHBondContact O-N 3.2Å; Q180-F182 VanDerWaalsContact C-N 3.25Å; Q180-F182 PolarHBondContact O-N 2.92Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.48Å; F182-I185 HydrophobicContact CD1-CD1 4.44Å; F182-I185 PolarHBondContact O-N 3.09Å; F182-I185 VanDerWaalsContact O-N 3.12Å; F182-E186 WeakPolarHBondContact O-CB 3.14Å; F182-E186 PolarHBondContact O-N 3.27Å; F182-I312 HydrophobicContact CB-CG2 4.33Å; F182-I312 HydrophobicContact CD1-CG2 3.88Å; F182-I312 HydrophobicContact CG-CG2 4.4Å; F182-L315 HydrophobicContact CE1-CB 3.99Å; F182-L315 HydrophobicContact CZ-CB 4.06Å; F182-W320 HydrophobicContact CZ-CE3 4.49Å; F182-L321 HydrophobicContact CD2-CD1 4.07Å; F182-L321 HydrophobicContact CE1-CD1 4.31Å; F182-L321 HydrophobicContact CE2-CB 4.34Å; F182-L321 HydrophobicContact CE2-CD1 3.56Å; F182-L321 HydrophobicContact CE2-CG 3.92Å; F182-L321 HydrophobicContact CZ-CD1 3.7Å; F182-L321 HydrophobicContact CZ-CG 3.82Å
183D92Very high90.3Very high96 Ų9646.3 Ų46.351%0.51322%0.224SC..Hα-helixtrans-61.1-39.4175.4-53-19.5000111.5Q180 S187Q180-D183 PolarHBondContact O-N 2.71Å; D183-S187 WeakPolarHBondContact O-CB 3.08Å; D183-S187 PolarHBondContact O-N 3.41Å; D183-S187 PolarHBondContact O-OG 3.09Å
184F93.2Very high89.7Confident0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-63.2-45.6172.8171.7-92.3000111.9T170 L172 V175 Q180 L181 F182 E186 T188 L189 I330 L347T170-F184 WeakPolarHBondContact O-CD2 3.42Å; T170-F184 WeakPolarHBondContact O-CE2 3.28Å; L172-F184 HydrophobicContact CB-CE2 4.14Å; L172-F184 HydrophobicContact CB-CZ 4.24Å; L172-F184 HydrophobicContact CD1-CD1 3.88Å; L172-F184 HydrophobicContact CD1-CD2 4.33Å; L172-F184 HydrophobicContact CD1-CE1 3.64Å; L172-F184 HydrophobicContact CD1-CE2 4.11Å; L172-F184 HydrophobicContact CD1-CG 4.23Å; L172-F184 HydrophobicContact CD1-CZ 3.77Å; V175-F184 HydrophobicContact CG2-CB 4.07Å; V175-F184 HydrophobicContact CG2-CG 4.38Å; Q180-F184 PolarHBondContact O-N 3.31Å; Q180-F184 VanDerWaalsContact O-N 3.09Å; L181-F184 HydrophobicContact CD1-CD1 4.23Å; L181-F184 PolarHBondContact O-N 2.64Å; F182-F184 VanDerWaalsContact C-N 3.3Å; F182-F184 PolarHBondContact O-N 3.48Å; F184-E186 VanDerWaalsContact C-N 3.35Å; F184-T188 HydrophobicContact CE2-CG2 3.87Å; F184-T188 HydrophobicContact CZ-CG2 3.96Å; F184-T188 VanDerWaalsContact O-CB 3.24Å; F184-T188 WeakPolarHBondContact O-CB 3.04Å; F184-T188 PolarHBondContact O-N 3.16Å; F184-T188 PolarHBondContact O-OG1 3.16Å; F184-L189 HydrophobicContact CE1-CD1 4.06Å; F184-L189 HydrophobicContact CE1-CG 4.25Å; F184-I330 HydrophobicContact CD1-CD1 4.47Å; F184-I330 HydrophobicContact CE1-CD1 4.28Å; F184-L347 HydrophobicContact CE1-CD1 3.89Å; F184-L347 HydrophobicContact CZ-CD1 3.98Å
185I93.2Very high88.7Confident1 Ų142.7 Ų42.71%0.00522%0.215CC..Iπ-helixtrans-63.6-43.3178.8-66.3164000110.2L181 F182 L189 V190 L219 L301 I312 I330L181-I185 HydrophobicContact CG-CD1 4.08Å; L181-I185 VanDerWaalsContact O-CG1 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.37Å; L181-I185 PolarHBondContact O-N 3.47Å; F182-I185 HydrophobicContact CD1-CD1 4.44Å; F182-I185 PolarHBondContact O-N 3.09Å; F182-I185 VanDerWaalsContact O-N 3.12Å; I185-L189 HydrophobicContact CB-CD1 4.44Å; I185-L189 HydrophobicContact CG1-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CB 4.46Å; I185-L189 HydrophobicContact CG2-CD1 4.35Å; I185-L189 CarbonylContact O-C 3.59Å; I185-L189 WeakPolarHBondContact O-CA 3.32Å; I185-L189 VanDerWaalsContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 PolarHBondContact O-N 2.9Å; I185-L189 VanDerWaalsContact O-N 3.16Å; I185-V190 HydrophobicContact CG2-CG2 4.31Å; I185-V190 PolarHBondContact O-N 2.94Å; I185-L219 HydrophobicContact CD1-CD1 4.27Å; I185-L219 HydrophobicContact CD1-CD2 3.93Å; I185-L301 HydrophobicContact CG2-CD1 3.82Å; I185-I312 HydrophobicContact CG2-CD1 3.71Å; I185-I312 HydrophobicContact CG2-CG1 4.32Å; I185-I330 HydrophobicContact CD1-CD1 4.13Å; I185-I330 HydrophobicContact CG1-CD1 3.82Å
186E91.9Very high87.2Confident71 Ų7144.8 Ų44.833%0.33223%0.226SC..Iπ-helixtrans-61-56.9178.2175.5174.2179.600111.5F182 F184 V190 L191 M309F182-E186 WeakPolarHBondContact O-CB 3.14Å; F182-E186 PolarHBondContact O-N 3.27Å; F184-E186 VanDerWaalsContact C-N 3.35Å; E186-V190 PolarHBondContact O-N 3.16Å; E186-L191 HydrophobicContact CG-CD1 4.06Å; E186-L191 HydrophobicContact CG-CG 4.45Å; E186-L191 WeakPolarHBondContact O-CB 3.45Å; E186-L191 WeakPolarHBondContact O-CG 3.46Å; E186-L191 PolarHBondContact O-N 3.18Å; E186-M309 HydrophobicContact CB-SD 4.39Å; E186-M309 HydrophobicContact CG-CE 3.87Å; E186-M309 HydrophobicContact CG-SD 3.76Å; E186-M309 VanDerWaalsContact OE1-CE 3.32Å; E186-M309 WeakPolarHBondContact OE1-CE 3.39Å
187S89.2Confident85.7Confident28 Ų2840.6 Ų40.620%0.19622%0.217CC..Iπ-helixtrans-68.6-55-175.2560000112.8T170 D183 A192T170-S187 PolarHBondContact OG1-OG 2.97Å; D183-S187 WeakPolarHBondContact O-CB 3.08Å; D183-S187 PolarHBondContact O-N 3.41Å; D183-S187 PolarHBondContact O-OG 3.09Å; S187-A192 PolarHBondContact O-N 3.05Å
188T89.6Confident84Confident0 Ų039.9 Ų39.90%022%0.224CC..Iπ-helixtrans-84.7-30.6-168.5-51.50000113.5F162 Y169 T170 F184 A192F162-T188 HydrophobicContact CD1-CG2 4.04Å; F162-T188 HydrophobicContact CE1-CG2 4.16Å; Y169-T188 HydrophobicContact CD2-CG2 3.36Å; Y169-T188 VanDerWaalsContact CD2-OG1 3.24Å; Y169-T188 WeakPolarHBondContact CD2-OG1 3.32Å; Y169-T188 HydrophobicContact CE2-CG2 3.61Å; Y169-T188 HydrophobicContact CG-CG2 4.22Å; T170-T188 PolarHBondContact O-OG1 2.97Å; F184-T188 HydrophobicContact CE2-CG2 3.87Å; F184-T188 HydrophobicContact CZ-CG2 3.96Å; F184-T188 VanDerWaalsContact O-CB 3.24Å; F184-T188 WeakPolarHBondContact O-CB 3.04Å; F184-T188 PolarHBondContact O-N 3.16Å; F184-T188 PolarHBondContact O-OG1 3.16Å; T188-A192 WeakPolarHBondContact O-CB 3.47Å
189L88.9Confident82.3Confident2 Ų247.8 Ų47.81%0.0126%0.26CS..Iπ-helixtrans-108.4-38.3-172.8-62.8176.9000113.4F162 F184 I185 F193 M217 I330 F332 L347F162-L189 HydrophobicContact CE1-CD2 3.87Å; F184-L189 HydrophobicContact CE1-CD1 4.06Å; F184-L189 HydrophobicContact CE1-CG 4.25Å; I185-L189 HydrophobicContact CB-CD1 4.44Å; I185-L189 HydrophobicContact CG1-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CB 4.46Å; I185-L189 HydrophobicContact CG2-CD1 4.35Å; I185-L189 CarbonylContact O-C 3.59Å; I185-L189 WeakPolarHBondContact O-CA 3.32Å; I185-L189 VanDerWaalsContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CB 3.44Å; I185-L189 PolarHBondContact O-N 2.9Å; I185-L189 VanDerWaalsContact O-N 3.16Å; L189-F193 HydrophobicContact CD2-CE2 4.25Å; L189-F193 WeakPolarHBondContact O-CD2 3.32Å; L189-M217 HydrophobicContact CB-CE 3.96Å; L189-M217 HydrophobicContact CB-SD 3.69Å; L189-M217 HydrophobicContact CD1-SD 4.33Å; L189-M217 HydrophobicContact CD2-CE 3.96Å; L189-M217 HydrophobicContact CD2-SD 4.21Å; L189-M217 HydrophobicContact CG-SD 4.31Å; L189-M217 WeakPolarHBondContact O-CE 3.39Å; L189-I330 HydrophobicContact CD1-CD1 3.87Å; L189-I330 HydrophobicContact CD1-CG2 3.63Å; L189-F332 HydrophobicContact CD2-CE1 3.88Å; L189-F332 HydrophobicContact CD2-CZ 3.91Å; L189-L347 HydrophobicContact CD2-CD1 4.4Å
190V88.5Confident80.6Confident3 Ų346.6 Ų46.62%0.01826%0.26CS..Iπ-helixtrans-89.3-54.8-178.6179.20000111.4I185 E186 N194 L301 A305 M309 I312I185-V190 HydrophobicContact CG2-CG2 4.31Å; I185-V190 PolarHBondContact O-N 2.94Å; E186-V190 PolarHBondContact O-N 3.16Å; V190-N194 PolarHBondContact O-ND2 3.2Å; V190-L301 HydrophobicContact CG2-CD1 4.37Å; V190-A305 HydrophobicContact CG1-CB 3.99Å; V190-M309 HydrophobicContact CG1-CG 4.47Å; V190-M309 HydrophobicContact CG1-SD 4.35Å; V190-I312 HydrophobicContact CG2-CD1 3.7Å
191L86.6Confident78.9Confident87 Ų8747 Ų4746%0.45528%0.282SS..Iπ-helixtrans-72-47.8-176.3-68.1173.8000111.5E186 F193 N194 S195E186-L191 HydrophobicContact CG-CD1 4.06Å; E186-L191 HydrophobicContact CG-CG 4.45Å; E186-L191 WeakPolarHBondContact O-CB 3.45Å; E186-L191 WeakPolarHBondContact O-CG 3.46Å; E186-L191 PolarHBondContact O-N 3.18Å; L191-F193 VanDerWaalsContact C-N 3.26Å; L191-F193 PolarHBondContact O-N 2.67Å; L191-N194 PolarHBondContact O-N 3.33Å; L191-S195 PolarHBondContact O-N 3.04Å
192A85.6Confident77.1Confident9 Ų949.8 Ų49.87%0.07430%0.301CS..THydrogen-bonded Turntrans-62.5-28-177.100000114.3S187 T188 A206S187-A192 PolarHBondContact O-N 3.05Å; T188-A192 WeakPolarHBondContact O-CB 3.47Å; A192-A206 HydrophobicContact CB-CB 4.36Å; A192-A206 WeakPolarHBondContact O-CB 3.45Å; A192-A206 PolarHBondContact O-N 2.79Å
193F84.5Confident75.6Confident9 Ų950.9 Ų50.94%0.03931%0.31CS..THydrogen-bonded Turntrans-84.4-12.5176.2-80.2-86.7000113.8F162 L189 L191 W205 L213 M217 F332 L334F162-F193 HydrophobicContact CZ-CZ 4.43Å; L189-F193 HydrophobicContact CD2-CE2 4.25Å; L189-F193 WeakPolarHBondContact O-CD2 3.32Å; L191-F193 VanDerWaalsContact C-N 3.26Å; L191-F193 PolarHBondContact O-N 2.67Å; F193-W205 HydrophobicContact CD1-CB 3.89Å; F193-W205 HydrophobicContact CD1-CG 4.15Å; F193-W205 HydrophobicContact CE1-CB 3.69Å; F193-W205 HydrophobicContact CE1-CD2 4.21Å; F193-W205 AromaticContact CE1-CG 3.76Å; F193-W205 HydrophobicContact CE1-CG 3.76Å; F193-W205 AromaticContact CE2-CD1 3.93Å; F193-W205 HydrophobicContact CE2-CD2 4.42Å; F193-W205 HydrophobicContact CE2-CG 4.23Å; F193-W205 AromaticContact CE2-NE1 3.98Å; F193-W205 HydrophobicContact CZ-CB 4.27Å; F193-W205 AromaticContact CZ-CD1 3.99Å; F193-W205 AromaticContact CZ-CD2 3.91Å; F193-W205 HydrophobicContact CZ-CD2 3.91Å; F193-W205 HydrophobicContact CZ-CE3 4.39Å; F193-W205 AromaticContact CZ-CG 3.83Å; F193-W205 HydrophobicContact CZ-CG 3.83Å; F193-L213 HydrophobicContact CD1-CB 4.03Å; F193-L213 HydrophobicContact CE1-CB 4.24Å; F193-M217 HydrophobicContact CD2-CE 3.54Å; F193-M217 HydrophobicContact CE2-CE 3.54Å; F193-M217 HydrophobicContact CG-CE 4.08Å; F193-M217 HydrophobicContact CZ-CE 4.14Å; F193-F332 HydrophobicContact CZ-CE2 4.38Å; F193-L334 HydrophobicContact CE1-CD2 3.45Å; F193-L334 VanDerWaalsContact CE1-CD2 3.45Å; F193-L334 HydrophobicContact CZ-CD1 4.4Å; F193-L334 HydrophobicContact CZ-CD2 3.64Å
194N79.1Confident74.5Confident38 Ų3846.5 Ų46.520%0.20329%0.287CS..THydrogen-bonded Turntrans-113.9-8.2-178-73.3-71000113.6V190 L191 N196 S197 A305V190-N194 PolarHBondContact O-ND2 3.2Å; L191-N194 PolarHBondContact O-N 3.33Å; N194-N196 VanDerWaalsContact C-N 3.33Å; N194-N196 PolarHBondContact O-N 2.99Å; N194-S197 WeakPolarHBondContact O-CB 3.34Å; N194-S197 PolarHBondContact O-N 3.44Å; N194-S197 VanDerWaalsContact O-N 3.17Å; N194-S197 PolarHBondContact O-OG 2.94Å; N194-A305 HydrophobicContact CB-CB 3.97Å
195S68.7Low73.8Confident57 Ų5746.5 Ų46.540%0.39929%0.287SS..G310 helixtrans-55.1-43-173.963.70000113.5L191L191-S195 PolarHBondContact O-N 3.04Å
196N61.4Low73.1Confident49 Ų4947.9 Ų47.926%0.26230%0.299SS..G310 helixtrans-90.4-3.9-174.4-68.49.4000113.2N194 T198 E199 S200 E209N194-N196 VanDerWaalsContact C-N 3.33Å; N194-N196 PolarHBondContact O-N 2.99Å; N196-T198 PolarHBondContact O-N 3.1Å; N196-T198 VanDerWaalsContact O-N 3.12Å; N196-E199 PolarHBondContact O-N 2.92Å; N196-S200 PolarHBondContact O-N 3.24Å; N196-E209 PolarHBondContact ND2-OE1 3.29Å
197S58.9Low72.3Confident53 Ų5347.4 Ų47.437%0.37130%0.297SS..G310 helixtrans-64.1-20.6-174.867.20000113.4N194N194-S197 WeakPolarHBondContact O-CB 3.34Å; N194-S197 PolarHBondContact O-N 3.44Å; N194-S197 VanDerWaalsContact O-N 3.17Å; N194-S197 PolarHBondContact O-OG 2.94Å
198T54.6Low71.9Confident120 Ų12047 Ų4774%0.73630%0.296SS*.G310 helixtrans-82.2-24.2-177.549.40000114.2N196N196-T198 PolarHBondContact O-N 3.1Å; N196-T198 VanDerWaalsContact O-N 3.12Å
199E55.9Low71.3Confident188 Ų18853.4 Ų53.488%0.87933%0.325SS*.THydrogen-bonded Turntrans-108.5-33.5-172.7-68.3-167.7167.200114.5N196N196-E199 PolarHBondContact O-N 2.92Å
200S52.6Low70.9Confident84 Ų8458.5 Ų58.559%0.58735%0.349SS*.SBendtrans-119.53-17166.70000115.3N196 S202N196-S200 PolarHBondContact O-N 3.24Å; S200-S202 PolarHBondContact O-N 2.88Å
201G55Low70.9Confident72 Ų7258.5 Ų58.574%0.74235%0.349SS*.SBendtrans65.8-317700000115.4
202S55.8Low70.9Confident59 Ų5955.8 Ų55.841%0.41334%0.336SS..SBendtrans-106.1121.8174.4-169.50000109.6S200 G204S200-S202 PolarHBondContact O-N 2.88Å; S202-G204 PolarHBondContact O-N 3.38Å
203P62.3Low71Confident42 Ų4256.6 Ų56.627%0.27334%0.339SS..  trans-74.876.317431.8-33.1000109.5
204G68.1Low71Confident4 Ų458.1 Ų58.14%0.04135%0.347CS..  trans-87150.5171.100000111.3S202S202-G204 PolarHBondContact O-N 3.38Å
205W80.2Confident71.3Confident0 Ų057.5 Ų57.50%035%0.35CS..BIsolated β-bridgetrans-72.3135.2169.8-177.125.4000110.3L161 F162 F193 H207 A208 E209 S211 L334L161-W205 HydrophobicContact CB-CH2 3.62Å; L161-W205 HydrophobicContact CB-CZ2 4.21Å; L161-W205 HydrophobicContact CD1-CH2 3.57Å; L161-W205 HydrophobicContact CD1-CZ2 4.41Å; L161-W205 HydrophobicContact CD1-CZ3 3.7Å; L161-W205 HydrophobicContact CG-CH2 4.2Å; F162-W205 HydrophobicContact CD1-CZ2 4.4Å; F162-W205 HydrophobicContact CD2-CH2 4.4Å; F162-W205 AromaticContact CE1-CH2 3.98Å; F162-W205 HydrophobicContact CE1-CH2 3.98Å; F162-W205 AromaticContact CE1-CZ2 3.73Å; F162-W205 HydrophobicContact CE1-CZ2 3.73Å; F162-W205 AromaticContact CE2-CH2 3.83Å; F162-W205 HydrophobicContact CE2-CH2 3.83Å; F162-W205 HydrophobicContact CE2-CZ2 4.41Å; F162-W205 HydrophobicContact CE2-CZ3 4.36Å; F162-W205 AromaticContact CZ-CH2 3.55Å; F162-W205 HydrophobicContact CZ-CH2 3.55Å; F162-W205 AromaticContact CZ-CZ2 3.71Å; F162-W205 HydrophobicContact CZ-CZ2 3.71Å; F162-W205 HydrophobicContact CZ-CZ3 4.19Å; F193-W205 HydrophobicContact CD1-CB 3.89Å; F193-W205 HydrophobicContact CD1-CG 4.15Å; F193-W205 HydrophobicContact CE1-CB 3.69Å; F193-W205 HydrophobicContact CE1-CD2 4.21Å; F193-W205 AromaticContact CE1-CG 3.76Å; F193-W205 HydrophobicContact CE1-CG 3.76Å; F193-W205 AromaticContact CE2-CD1 3.93Å; F193-W205 HydrophobicContact CE2-CD2 4.42Å; F193-W205 HydrophobicContact CE2-CG 4.23Å; F193-W205 AromaticContact CE2-NE1 3.98Å; F193-W205 HydrophobicContact CZ-CB 4.27Å; F193-W205 AromaticContact CZ-CD1 3.99Å; F193-W205 AromaticContact CZ-CD2 3.91Å; F193-W205 HydrophobicContact CZ-CD2 3.91Å; F193-W205 HydrophobicContact CZ-CE3 4.39Å; F193-W205 AromaticContact CZ-CG 3.83Å; F193-W205 HydrophobicContact CZ-CG 3.83Å; W205-H207 PolarHBondContact O-N 3.5Å; W205-A208 HydrophobicContact CD2-CB 4.47Å; W205-A208 HydrophobicContact CE3-CB 3.73Å; W205-A208 HydrophobicContact CZ3-CB 4.26Å; W205-A208 CarbonylContact O-C 3.46Å; W205-A208 PolarHBondContact O-N 3.17Å; W205-E209 PolarHBondContact O-N 2.97Å; W205-S211 PolarHBondContact N-O 3.38Å; W205-L334 HydrophobicContact CE3-CD1 4.24Å; W205-L334 HydrophobicContact CZ3-CD1 4.19Å
206A77.1Confident72.2Confident30 Ų3054.8 Ų54.825%0.24833%0.331CS..THydrogen-bonded Turntrans-48.7-35.6-176.600000114.8A192A192-A206 HydrophobicContact CB-CB 4.36Å; A192-A206 WeakPolarHBondContact O-CB 3.45Å; A192-A206 PolarHBondContact O-N 2.79Å
207H75.8Confident73.6Confident61 Ų6152.9 Ų52.928%0.28232%0.32SS..THydrogen-bonded Turntrans-99.7-13.8-177.2-58.1-69.8000114L161 D168 Y169 W205L161-H207 HydrophobicContact CD1-CB 4.44Å; L161-H207 HydrophobicContact CD2-CB 3.97Å; D168-H207 IonicContact OD2-CE1 2.91Å; Y169-H207 AromaticContact CD1-CD2 3.68Å; Y169-H207 AromaticContact CD1-CE1 3.87Å; Y169-H207 AromaticContact CD1-NE2 3.16Å; Y169-H207 WeakPolarHBondContact CD1-NE2 3.39Å; Y169-H207 AromaticContact CE1-CD2 3.03Å; Y169-H207 WeakPolarHBondContact CE1-CD2 3.37Å; Y169-H207 AromaticContact CE1-CE1 3.46Å; Y169-H207 VanDerWaalsContact CE1-CE1 3.46Å; Y169-H207 WeakPolarHBondContact CE1-CE1 3.44Å; Y169-H207 AromaticContact CE1-CG 3.67Å; Y169-H207 AromaticContact CE1-ND1 3.87Å; Y169-H207 AromaticContact CE1-NE2 2.92Å; Y169-H207 WeakPolarHBondContact CE1-NE2 3.34Å; Y169-H207 AromaticContact CZ-CD2 3.76Å; W205-H207 PolarHBondContact O-N 3.5Å
208A80.2Confident75.2Confident21 Ų2151.4 Ų51.417%0.17431%0.307CS..BIsolated β-bridgetrans-144.379.9177.100000108.6W205 Q210 S211W205-A208 HydrophobicContact CD2-CB 4.47Å; W205-A208 HydrophobicContact CE3-CB 3.73Å; W205-A208 HydrophobicContact CZ3-CB 4.26Å; W205-A208 CarbonylContact O-C 3.46Å; W205-A208 PolarHBondContact O-N 3.17Å; A208-Q210 PolarHBondContact O-N 3.48Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.13Å
209E77.4Confident77Confident133 Ų13345.7 Ų45.762%0.62127%0.272SS*.THydrogen-bonded Turntrans-56.4-26.1-177.9-60.3-171.8154.200112.7N196 W205 S211N196-E209 PolarHBondContact ND2-OE1 3.29Å; W205-E209 PolarHBondContact O-N 2.97Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 3.44Å
210Q81.3Confident78.8Confident110 Ų11036.8 Ų36.851%0.51423%0.23SC..THydrogen-bonded Turntrans-71.8-21.2177.2-58.5177-41.100113.4A208 N336 V337 D338A208-Q210 PolarHBondContact O-N 3.48Å; Q210-N336 WeakPolarHBondContact O-CA 3.33Å; Q210-V337 PolarHBondContact O-N 3.37Å; Q210-D338 VanDerWaalsContact CG-OD2 3.29Å; Q210-D338 WeakPolarHBondContact CG-OD2 3.25Å; Q210-D338 PolarHBondContact NE2-OD2 3.46Å
211S87.2Confident80.7Confident2 Ų232.8 Ų32.81%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-98.4120.2-176.5-680000110.8W205 A208 E209 Y335W205-S211 PolarHBondContact N-O 3.38Å; A208-S211 WeakPolarHBondContact O-CB 3.39Å; A208-S211 PolarHBondContact O-N 3.13Å; E209-S211 VanDerWaalsContact C-N 3.29Å; E209-S211 PolarHBondContact O-N 3.44Å; S211-Y335 WeakPolarHBondContact CA-O 3.37Å
212V86.8Confident82.5Confident30 Ų3029.4 Ų29.418%0.18217%0.167CC..EExtended strand (participates in β ladder)trans-108.2138.2180-179.10000109.9L214 L334 Y335V212-L214 PolarHBondContact O-N 2.99Å; V212-L334 CarbonylContact O-C 3.38Å; V212-L334 WeakPolarHBondContact O-CA 3.28Å; V212-Y335 PolarHBondContact N-O 2.85Å; V212-Y335 PolarHBondContact O-N 2.94Å
213L87.7Confident84.2Confident27 Ų2727.6 Ų27.614%0.14115%0.151CC..EExtended strand (participates in β ladder)trans-68.9120.2172.4-178.471.2000110.6F193 M217 F332 L334F193-L213 HydrophobicContact CD1-CB 4.03Å; F193-L213 HydrophobicContact CE1-CB 4.24Å; L213-M217 HydrophobicContact CD1-CE 3.94Å; L213-M217 HydrophobicContact CD1-CG 4.03Å; L213-M217 HydrophobicContact CD2-CE 4Å; L213-M217 HydrophobicContact CD2-CG 4.12Å; L213-F332 HydrophobicContact CD1-CB 3.92Å; L213-F332 HydrophobicContact CD1-CD2 3.93Å; L213-F332 HydrophobicContact CD1-CG 4.26Å; L213-L334 HydrophobicContact CB-CD2 4.43Å; L213-L334 HydrophobicContact CD1-CD2 4.05Å
214L85.5Confident85.5Confident41 Ų4126.6 Ų26.622%0.21514%0.144CC..EExtended strand (participates in β ladder)trans-89.9125.6171-69.3-177.6000110.5V212 T333 Y335 F342 F455V212-L214 PolarHBondContact O-N 2.99Å; L214-T333 WeakPolarHBondContact CB-OG1 3.44Å; L214-T333 PolarHBondContact N-O 2.92Å; L214-T333 PolarHBondContact O-OG1 2.97Å; L214-Y335 HydrophobicContact CD1-CG 4.22Å; L214-F342 HydrophobicContact CD1-CD1 3.63Å; L214-F342 HydrophobicContact CD1-CE1 3.43Å; L214-F342 VanDerWaalsContact CD1-CE1 3.43Å; L214-F455 HydrophobicContact CD1-CE2 4.17Å; L214-F455 HydrophobicContact CD1-CZ 4.34Å
215G84.8Confident86.4Confident24 Ų2429.6 Ų29.625%0.24716%0.164CC..EExtended strand (participates in β ladder)trans74.2-133.5179.600000112.7
216V87.7Confident86.5Confident1 Ų133.4 Ų33.41%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-128.8163.2177.6-680000109.9L300 L301 F452V216-L300 HydrophobicContact CG2-CB 4.41Å; V216-L300 HydrophobicContact CG2-CD1 4.4Å; V216-L300 HydrophobicContact CG2-CD2 4.3Å; V216-L301 VanDerWaalsContact CB-O 3.31Å; V216-L301 WeakPolarHBondContact CB-O 3.42Å; V216-L301 WeakPolarHBondContact CG1-O 3.36Å; V216-F452 HydrophobicContact CG2-CB 4.08Å; V216-F452 VanDerWaalsContact O-CD2 3.32Å; V216-F452 WeakPolarHBondContact O-CD2 3.32Å
217M91.2Very high86.3Confident8 Ų835.8 Ų35.84%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-85.9138.2174.3-57.7175.8172.500110.5L189 F193 L213 L301 F332L189-M217 HydrophobicContact CB-CE 3.96Å; L189-M217 HydrophobicContact CB-SD 3.69Å; L189-M217 HydrophobicContact CD1-SD 4.33Å; L189-M217 HydrophobicContact CD2-CE 3.96Å; L189-M217 HydrophobicContact CD2-SD 4.21Å; L189-M217 HydrophobicContact CG-SD 4.31Å; L189-M217 WeakPolarHBondContact O-CE 3.39Å; F193-M217 HydrophobicContact CD2-CE 3.54Å; F193-M217 HydrophobicContact CE2-CE 3.54Å; F193-M217 HydrophobicContact CG-CE 4.08Å; F193-M217 HydrophobicContact CZ-CE 4.14Å; L213-M217 HydrophobicContact CD1-CE 3.94Å; L213-M217 HydrophobicContact CD1-CG 4.03Å; L213-M217 HydrophobicContact CD2-CE 4Å; L213-M217 HydrophobicContact CD2-CG 4.12Å; M217-L301 HydrophobicContact CB-CB 4.26Å; M217-L301 HydrophobicContact CB-CD1 4.04Å; M217-L301 PolarHBondContact O-N 3.36Å; M217-L301 HydrophobicContact SD-CD1 4.2Å; M217-F332 HydrophobicContact CB-CB 4.21Å; M217-F332 HydrophobicContact CG-CB 3.77Å; M217-F332 HydrophobicContact CG-CD1 4.31Å; M217-F332 HydrophobicContact CG-CG 4.09Å
218R91.2Very high86.1Confident23 Ų2340.1 Ų40.19%0.08722%0.218CC..EExtended strand (participates in β ladder)trans-108.6120179.2-177.6-179.969.8-165.7-6.6110.5V298 L300 I330 D331 F452 D454R218-V298 HydrophobicContact CG-CG1 3.49Å; R218-V298 VanDerWaalsContact CG-CG1 3.49Å; R218-L300 HydrophobicContact CB-CD2 3.77Å; R218-L300 HydrophobicContact CG-CD2 3.77Å; R218-I330 WeakPolarHBondContact O-CA 3.28Å; R218-D331 HydrophobicContact CB-CB 4.39Å; R218-D331 IonicContact CZ-OD2 3.47Å; R218-D331 PolarHBondContact N-O 2.99Å; R218-D331 IonicContact NE-OD2 3.36Å; R218-D331 PolarHBondContact NE-OD2 2.92Å; R218-D331 IonicContact NH2-OD2 2.73Å; R218-D331 PolarHBondContact NH2-OD2 2.91Å; R218-D331 PolarHBondContact O-N 3.17Å; R218-F452 HydrophobicContact CB-CD2 3.57Å; R218-F452 HydrophobicContact CB-CE2 3.69Å; R218-F452 HydrophobicContact CB-CG 4.01Å; R218-F452 HydrophobicContact CB-CZ 4.21Å; R218-D454 IonicContact NH1-OD2 3.2Å; R218-D454 PolarHBondContact NH1-OD2 3.42Å
219L93.4Very high85.5Confident0 Ų044.4 Ų44.40%024%0.242CC..EExtended strand (participates in β ladder)trans-92.1120.5169.1-54.7178.5000108.4I185 V298 S299 L301 L315 W320 F329 I330I185-L219 HydrophobicContact CD1-CD1 4.27Å; I185-L219 HydrophobicContact CD1-CD2 3.93Å; L219-V298 CarbonylContact O-C 3.5Å; L219-V298 WeakPolarHBondContact O-CA 3.49Å; L219-S299 PolarHBondContact N-O 3.49Å; L219-S299 PolarHBondContact O-N 3.45Å; L219-L301 HydrophobicContact CD1-CD1 4.45Å; L219-L301 HydrophobicContact CD1-CD2 4.15Å; L219-L301 HydrophobicContact CD1-CG 4.18Å; L219-L301 HydrophobicContact CD2-CD1 4.45Å; L219-L301 HydrophobicContact CG-CD1 4.47Å; L219-L301 HydrophobicContact CG-CG 4.31Å; L219-L315 HydrophobicContact CD1-CD1 3.92Å; L219-W320 HydrophobicContact CB-CH2 3.82Å; L219-W320 HydrophobicContact CB-CZ3 4.36Å; L219-F329 CarbonylContact C-O 3.55Å; L219-F329 WeakPolarHBondContact CA-O 3.4Å; L219-I330 HydrophobicContact CD2-CB 4.29Å; L219-I330 HydrophobicContact CD2-CD1 4.29Å; L219-I330 HydrophobicContact CD2-CG1 3.78Å; L219-I330 HydrophobicContact CD2-CG2 3.95Å
220R92.3Very high85.3Confident1 Ų140.7 Ų40.70%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-123.2124.6179.3-179.5175.766.594.50.4110.2I268 P292 E293 A295 Y297 V298 V328 F329 D331R220-I268 HydrophobicContact CG-CD1 4.36Å; R220-P292 PolarHBondContact NH1-O 3.17Å; R220-E293 PolarHBondContact NE-O 2.96Å; R220-E293 PolarHBondContact NH1-O 3.29Å; R220-A295 PolarHBondContact NH1-O 3Å; R220-Y297 CarbonylContact C-O 3.5Å; R220-Y297 VanDerWaalsContact CA-O 3.29Å; R220-Y297 WeakPolarHBondContact CA-O 3.28Å; R220-V298 HydrophobicContact CB-CG2 4.18Å; R220-V298 HydrophobicContact CG-CG2 4.01Å; R220-V328 CarbonylContact O-C 3.52Å; R220-V328 WeakPolarHBondContact O-CA 3.25Å; R220-F329 HydrophobicContact CB-CB 4.23Å; R220-F329 PolarHBondContact N-O 3.28Å; R220-F329 VanDerWaalsContact NH2-CG 3.27Å; R220-F329 PolarHBondContact O-N 3.34Å; R220-D331 IonicContact NE-OD2 3.06Å
221Q93.2Very high84.9Confident0 Ų044.8 Ų44.80%026%0.264CS..EExtended strand (participates in β ladder)trans-113.9131.4-178.1-177.7-172.25.100111.3G296 Y297 W320 T325Q221-G296 CarbonylContact O-C 3.52Å; Q221-G296 WeakPolarHBondContact O-CA 3.4Å; Q221-Y297 PolarHBondContact N-O 3.5Å; Q221-Y297 PolarHBondContact O-N 3.33Å; Q221-W320 HydrophobicContact CB-CH2 3.56Å; Q221-W320 HydrophobicContact CB-CZ2 3.36Å; Q221-W320 HydrophobicContact CB-CZ3 4.32Å; Q221-W320 HydrophobicContact CG-CH2 4.49Å; Q221-W320 HydrophobicContact CG-CZ2 4.37Å; Q221-W320 PolarHBondContact NE2-O 2.87Å; Q221-W320 VanDerWaalsContact OE1-CD2 3.24Å; Q221-W320 VanDerWaalsContact OE1-NE1 3.12Å; Q221-W320 PolarHBondContact OE1-O 2.94Å; Q221-T325 HydrophobicContact CG-CG2 3.65Å; Q221-T325 PolarHBondContact NE2-OG1 3.38Å
222L92.4Very high84.5Confident0 Ų047.1 Ų47.10%029%0.288CS..EExtended strand (participates in β ladder)trans-100.8121.6166.5-72.6118.8000110.1F236 Y291 P292 A295 S326 A327 F329L222-F236 HydrophobicContact CB-CD1 3.95Å; L222-F236 HydrophobicContact CB-CE1 4.07Å; L222-F236 HydrophobicContact CD2-CB 4.43Å; L222-F236 HydrophobicContact CD2-CD1 3.88Å; L222-F236 HydrophobicContact CD2-CD2 4.06Å; L222-F236 HydrophobicContact CD2-CE1 4.12Å; L222-F236 HydrophobicContact CD2-CE2 4.3Å; L222-F236 HydrophobicContact CD2-CG 3.84Å; L222-F236 HydrophobicContact CD2-CZ 4.33Å; L222-Y291 HydrophobicContact CB-CD1 4.37Å; L222-Y291 HydrophobicContact CD1-CD1 4.08Å; L222-Y291 HydrophobicContact CD1-CG 4.4Å; L222-Y291 HydrophobicContact CD2-CD1 4.5Å; L222-P292 HydrophobicContact CD2-CG 3.98Å; L222-A295 HydrophobicContact CD2-CB 4.32Å; L222-S326 PolarHBondContact O-N 3.07Å; L222-A327 HydrophobicContact CD1-CB 4.47Å; L222-A327 PolarHBondContact N-O 3.06Å; L222-A327 PolarHBondContact O-N 3.39Å; L222-F329 HydrophobicContact CD1-CD2 3.66Å; L222-F329 HydrophobicContact CD1-CE2 3.26Å; L222-F329 HydrophobicContact CD1-CZ 4.32Å
223R91.4Very high84.3Confident21 Ų2151.3 Ų51.38%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-110.4133.9179.3-172.6-175.1-176.888.5-2.7109.9F236 S237 W245 Y297 T322 N324R223-F236 CarbonylContact O-C 3.55Å; R223-F236 VanDerWaalsContact O-CA 3.31Å; R223-F236 WeakPolarHBondContact O-CA 3.44Å; R223-S237 PolarHBondContact O-N 3.4Å; R223-W245 VanDerWaalsContact CD-CE3 3.46Å; R223-W245 VanDerWaalsContact NH1-CD2 3.26Å; R223-Y297 HydrophobicContact CB-CD2 4.42Å; R223-Y297 HydrophobicContact CB-CE2 4.16Å; R223-T322 PolarHBondContact NH1-OG1 3.42Å; R223-T322 PolarHBondContact NH2-OG1 2.81Å; R223-N324 WeakPolarHBondContact CA-O 3.26Å; R223-N324 HydrophobicContact CG-CB 3.75Å
224V90Very high84.1Confident21 Ų2151.6 Ų51.613%0.12732%0.319CS..BIsolated β-bridgetrans-80.1133.3172.9-169.30000109.1N226 P234 N324V224-N226 WeakPolarHBondContact CG1-O 3.04Å; V224-P234 HydrophobicContact CG1-CB 4.06Å; V224-P234 HydrophobicContact CG2-CB 4.19Å; V224-N324 PolarHBondContact N-O 3.34Å
225S86.7Confident84.2Confident67 Ų6758 Ų5847%0.46935%0.345SS..SBendtrans-64.5-44.4179.7177.70000111.9K235S225-K235 PolarHBondContact N-O 3.15Å
226N82.2Confident84.3Confident81 Ų8158.6 Ų58.643%0.43334%0.341SS..  trans-120.7118.8175.5-173.6-4.6000109.7V224 Q228V224-N226 WeakPolarHBondContact CG1-O 3.04Å; N226-Q228 PolarHBondContact ND2-OE1 3.1Å; N226-Q228 PolarHBondContact O-N 3.39Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.32Å; N226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; N226-Q228 PolarHBondContact OD1-N 2.99Å
227P74.2Confident84.2Confident80 Ų8058.8 Ų58.852%0.51934%0.342SS..  trans-68.3-11.2178.628.6-35.4000113.6V229P227-V229 PolarHBondContact O-N 2.95Å
228Q71.1Confident83.9Confident152 Ų15263.5 Ų63.571%0.7137%0.368SS*.SBendtrans-64121.7176.1-68178.2-14.400111N226 G230N226-Q228 PolarHBondContact ND2-OE1 3.1Å; N226-Q228 PolarHBondContact O-N 3.39Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.32Å; N226-Q228 WeakPolarHBondContact OD1-CG 3.44Å; N226-Q228 PolarHBondContact OD1-N 2.99Å; Q228-G230 PolarHBondContact O-N 2.84Å
229V68.2Low83.7Confident111 Ų11165.2 Ų65.267%0.67338%0.381SS*.  trans-73.8111.9179.4-1770000109.2P227 P353P227-V229 PolarHBondContact O-N 2.95Å; V229-P353 HydrophobicContact CG2-CB 3.68Å; V229-P353 HydrophobicContact CG2-CG 4.43Å
230G72.4Confident83.2Confident55 Ų5569.6 Ų69.657%0.56740%0.398SS*.  trans-101.8173169.300000112.1Q228 G232Q228-G230 PolarHBondContact O-N 2.84Å; G230-G232 PolarHBondContact O-N 2.77Å
231L73.3Confident82.9Confident196 Ų19671.1 Ų71.1100%1.02640%0.404SS*.SBendtrans-70.2-20.4171.1-77.8150.8000112.9
232G78.8Confident82.2Confident50 Ų5072.9 Ų72.952%0.51541%0.412SS..SBendtrans-83.5163.7179.400000113.2G230G230-G232 PolarHBondContact O-N 2.77Å
233P82Confident81.6Confident118 Ų11874.1 Ų74.177%0.76642%0.421SS*.PPolyproline II helixtrans-59.5144.9174.926.8-34.4000110.7K235P233-K235 PolarHBondContact O-N 2.92Å
234P83.7Confident81.3Confident34 Ų3475.6 Ų75.622%0.22143%0.43CS..PPolyproline II helixtrans-62.3133.2179.227.1-34.6000110V224 F236 N289V224-P234 HydrophobicContact CG1-CB 4.06Å; V224-P234 HydrophobicContact CG2-CB 4.19Å; P234-F236 HydrophobicContact CG-CE1 4.37Å; P234-F236 HydrophobicContact CG-CZ 3.97Å; P234-N289 HydrophobicContact CG-CB 4.28Å
235K87.2Confident81.1Confident175 Ų17575.6 Ų75.676%0.76143%0.428SS*.  trans-84.2115.3171-64.4-173.8-179.4-179.30109S225 P233S225-K235 PolarHBondContact N-O 3.15Å; P233-K235 PolarHBondContact O-N 2.92Å
236F87.5Confident80.8Confident37 Ų3777.5 Ų77.516%0.16243%0.43CS..BIsolated β-bridgetrans-74.3147.2174.1-58.1-67.3000110.4L222 R223 P234 Y291 P292L222-F236 HydrophobicContact CB-CD1 3.95Å; L222-F236 HydrophobicContact CB-CE1 4.07Å; L222-F236 HydrophobicContact CD2-CB 4.43Å; L222-F236 HydrophobicContact CD2-CD1 3.88Å; L222-F236 HydrophobicContact CD2-CD2 4.06Å; L222-F236 HydrophobicContact CD2-CE1 4.12Å; L222-F236 HydrophobicContact CD2-CE2 4.3Å; L222-F236 HydrophobicContact CD2-CG 3.84Å; L222-F236 HydrophobicContact CD2-CZ 4.33Å; R223-F236 CarbonylContact O-C 3.55Å; R223-F236 VanDerWaalsContact O-CA 3.31Å; R223-F236 WeakPolarHBondContact O-CA 3.44Å; P234-F236 HydrophobicContact CG-CE1 4.37Å; P234-F236 HydrophobicContact CG-CZ 3.97Å; F236-Y291 AromaticContact CE1-CD1 3.88Å; F236-Y291 HydrophobicContact CE1-CD1 3.88Å; F236-Y291 AromaticContact CE1-CE1 3.95Å; F236-Y291 HydrophobicContact CE1-CE1 3.95Å; F236-Y291 AromaticContact CZ-CD1 3.58Å; F236-Y291 HydrophobicContact CZ-CD1 3.58Å; F236-Y291 AromaticContact CZ-CE1 3.89Å; F236-Y291 HydrophobicContact CZ-CE1 3.89Å; F236-P292 HydrophobicContact CD2-CG 3.83Å; F236-P292 HydrophobicContact CE2-CG 4.04Å
237S86.9Confident80.8Confident4 Ų478.5 Ų78.53%0.02843%0.434CS..  trans-82128.6-179.9-163.40000111R223 T239 Y241 Y297R223-S237 PolarHBondContact O-N 3.4Å; S237-T239 PolarHBondContact OG-OG1 2.95Å; S237-Y241 WeakPolarHBondContact OG-CE2 3.41Å; S237-Y241 PolarHBondContact OG-OH 2.91Å; S237-Y297 PolarHBondContact O-OH 2.92Å
238D84.9Confident80.9Confident108 Ų10880.2 Ų80.258%0.57845%0.445SS*.  trans-113.118.1173.4-60.5-30.4000111.4P267D238-P267 WeakPolarHBondContact O-CG 3.32Å
239T85Confident80.9Confident58 Ų5879.5 Ų79.536%0.35644%0.437SS..SBendtrans-85.4151.6179.658.50000111.2S237 Y241 Y297S237-T239 PolarHBondContact OG-OG1 2.95Å; T239-Y241 WeakPolarHBondContact O-CD2 3.42Å; T239-Y241 WeakPolarHBondContact OG1-CE2 3.23Å; T239-Y241 PolarHBondContact OG1-OH 3.09Å; T239-Y297 PolarHBondContact N-OH 3.4Å; T239-Y297 WeakPolarHBondContact O-CE1 3.31Å; T239-Y297 PolarHBondContact O-OH 3.29Å
240Y84.9Confident81Confident92 Ų9283.5 Ų83.536%0.36144%0.44SS..  trans-75.3131.8169-59-102000108.6Y249 I266 K269Y240-Y249 VanDerWaalsContact O-CE1 3.24Å; Y240-Y249 WeakPolarHBondContact O-CE1 3.45Å; Y240-Y249 PolarHBondContact O-OH 3.49Å; Y240-Y249 VanDerWaalsContact O-OH 3.06Å; Y240-I266 HydrophobicContact CD1-CG1 4.4Å; Y240-I266 HydrophobicContact CD1-CG2 3.96Å; Y240-I266 HydrophobicContact CE1-CG2 3.74Å; Y240-K269 WeakPolarHBondContact OH-CE 3.3Å; Y240-K269 PolarHBondContact OH-NZ 3.14Å
241Y84.5Confident80.9Confident34 Ų3490.7 Ų90.713%0.13346%0.456CS..  trans-114.1159.3172.3-68-80.7000110.2S237 T239 W245 L247 W265 Y297S237-Y241 WeakPolarHBondContact OG-CE2 3.41Å; S237-Y241 PolarHBondContact OG-OH 2.91Å; T239-Y241 WeakPolarHBondContact O-CD2 3.42Å; T239-Y241 WeakPolarHBondContact OG1-CE2 3.23Å; T239-Y241 PolarHBondContact OG1-OH 3.09Å; Y241-W245 HydrophobicContact CD1-CE3 4.4Å; Y241-W245 AromaticContact CD2-CE3 3.51Å; Y241-W245 HydrophobicContact CD2-CE3 3.51Å; Y241-W245 AromaticContact CD2-CZ3 3.64Å; Y241-W245 HydrophobicContact CD2-CZ3 3.64Å; Y241-W245 AromaticContact CE2-CE3 3.96Å; Y241-W245 HydrophobicContact CE2-CE3 3.96Å; Y241-W245 HydrophobicContact CE2-CZ3 4.12Å; Y241-W245 AromaticContact CG-CE3 3.74Å; Y241-W245 HydrophobicContact CG-CE3 3.74Å; Y241-W245 HydrophobicContact CG-CZ3 4.27Å; Y241-L247 HydrophobicContact CD1-CD1 4.06Å; Y241-L247 HydrophobicContact CD1-CD2 4.5Å; Y241-L247 HydrophobicContact CD1-CG 3.95Å; Y241-L247 HydrophobicContact CE1-CD1 3.59Å; Y241-L247 HydrophobicContact CE1-CG 4.02Å; Y241-W265 PolarHBondContact N-O 3.42Å; Y241-W265 VanDerWaalsContact N-O 3.11Å; Y241-W265 VanDerWaalsContact O-CB 3.24Å; Y241-W265 WeakPolarHBondContact O-CB 3Å; Y241-Y297 HydrophobicContact CD2-CE1 4Å; Y241-Y297 AromaticContact CD2-CZ 3.71Å; Y241-Y297 VanDerWaalsContact CD2-OH 3.27Å; Y241-Y297 WeakPolarHBondContact CD2-OH 3.27Å; Y241-Y297 HydrophobicContact CE2-CE2 4.48Å; Y241-Y297 AromaticContact CE2-CZ 3.85Å; Y241-Y297 WeakPolarHBondContact CE2-OH 3Å
242M80.2Confident80.7Confident36 Ų3685 Ų8518%0.17743%0.426CS..  trans-83166.2163-69.4-158.4153.100110.6D244 W245 Q246 Y249 R250M242-D244 PolarHBondContact O-N 3.45Å; M242-W245 PolarHBondContact O-N 3.49Å; M242-Q246 PolarHBondContact N-O 3.21Å; M242-Y249 HydrophobicContact CE-CD1 4.15Å; M242-Y249 HydrophobicContact CE-CG 4.49Å; M242-Y249 HydrophobicContact CG-CD1 4.4Å; M242-R250 HydrophobicContact CE-CB 4.46Å; M242-R250 WeakPolarHBondContact CE-O 3.42Å; M242-R250 HydrophobicContact SD-CB 3.86Å; M242-R250 PolarHBondContact SD-N 2.91Å
243P79.6Confident80.3Confident27 Ų2788.9 Ų88.918%0.17543%0.43CS..G310 helixtrans-42.6140.7164.7-2834.8000111.1W245 Y262 W265 N318P243-W245 VanDerWaalsContact C-N 3.31Å; P243-W245 PolarHBondContact O-N 3.48Å; P243-Y262 HydrophobicContact CG-CD1 4.26Å; P243-W265 HydrophobicContact CB-CD2 4.48Å; P243-W265 HydrophobicContact CB-CE3 4.08Å; P243-W265 HydrophobicContact CB-CH2 3.77Å; P243-W265 HydrophobicContact CB-CZ2 4.17Å; P243-W265 HydrophobicContact CB-CZ3 3.7Å; P243-W265 HydrophobicContact CG-CE3 3.84Å; P243-W265 HydrophobicContact CG-CH2 4.22Å; P243-W265 HydrophobicContact CG-CZ3 3.63Å; P243-N318 HydrophobicContact CB-CB 4.45Å
244D83.7Confident79.6Confident52 Ų5290.4 Ų90.428%0.27842%0.422SS..G310 helixtrans68.521.7-176.5-164.443.4000115.3M242 Q246 N318 H319M242-D244 PolarHBondContact O-N 3.45Å; D244-Q246 HydrophobicContact CB-CG 4.12Å; D244-Q246 WeakPolarHBondContact O-CG 3.43Å; D244-Q246 PolarHBondContact O-N 3.37Å; D244-Q246 PolarHBondContact OD2-NE2 2.83Å; D244-N318 VanDerWaalsContact CA-O 3.29Å; D244-N318 WeakPolarHBondContact CA-O 3.36Å; D244-N318 PolarHBondContact N-O 2.76Å; D244-H319 WeakPolarHBondContact OD1-CB 2.9Å; D244-H319 IonicContact OD1-CE1 3.87Å; D244-H319 IonicContact OD1-CG 3.76Å; D244-H319 IonicContact OD1-ND1 3.74Å; D244-H319 PolarHBondContact OD1-ND1 3.02Å
245W85.5Confident78.7Confident20 Ų2091.4 Ų91.48%0.07643%0.43CS..G310 helixtrans59.525.6177.3-54.697.1000114.8R223 Y241 M242 P243 W265 Y297 H319 W320 T322R223-W245 VanDerWaalsContact CD-CE3 3.46Å; R223-W245 VanDerWaalsContact NH1-CD2 3.26Å; Y241-W245 HydrophobicContact CD1-CE3 4.4Å; Y241-W245 AromaticContact CD2-CE3 3.51Å; Y241-W245 HydrophobicContact CD2-CE3 3.51Å; Y241-W245 AromaticContact CD2-CZ3 3.64Å; Y241-W245 HydrophobicContact CD2-CZ3 3.64Å; Y241-W245 AromaticContact CE2-CE3 3.96Å; Y241-W245 HydrophobicContact CE2-CE3 3.96Å; Y241-W245 HydrophobicContact CE2-CZ3 4.12Å; Y241-W245 AromaticContact CG-CE3 3.74Å; Y241-W245 HydrophobicContact CG-CE3 3.74Å; Y241-W245 HydrophobicContact CG-CZ3 4.27Å; M242-W245 PolarHBondContact O-N 3.49Å; P243-W245 VanDerWaalsContact C-N 3.31Å; P243-W245 PolarHBondContact O-N 3.48Å; W245-W265 AromaticContact CD2-CD1 3.74Å; W245-W265 AromaticContact CD2-NE1 3.92Å; W245-W265 AromaticContact CE2-CD1 3.78Å; W245-W265 AromaticContact CE2-NE1 3.64Å; W245-W265 AromaticContact CE3-CD1 3.76Å; W245-W265 AromaticContact CH2-CD1 3.86Å; W245-W265 AromaticContact CZ2-CD1 3.83Å; W245-W265 AromaticContact CZ2-NE1 3.87Å; W245-W265 AromaticContact CZ3-CD1 3.83Å; W245-W265 AromaticContact NE1-NE1 3.88Å; W245-Y297 HydrophobicContact CH2-CD1 4.3Å; W245-Y297 AromaticContact CH2-CD2 3.65Å; W245-Y297 HydrophobicContact CH2-CD2 3.65Å; W245-Y297 HydrophobicContact CH2-CE2 4.1Å; W245-Y297 AromaticContact CH2-CG 3.77Å; W245-Y297 HydrophobicContact CH2-CG 3.77Å; W245-Y297 HydrophobicContact CZ3-CD1 4.2Å; W245-Y297 AromaticContact CZ3-CD2 3.77Å; W245-Y297 HydrophobicContact CZ3-CD2 3.77Å; W245-Y297 HydrophobicContact CZ3-CE1 4.15Å; W245-Y297 AromaticContact CZ3-CE2 3.73Å; W245-Y297 HydrophobicContact CZ3-CE2 3.73Å; W245-Y297 HydrophobicContact CZ3-CG 4.02Å; W245-Y297 AromaticContact CZ3-CZ 3.93Å; W245-H319 PolarHBondContact NE1-O 3.13Å; W245-W320 AromaticContact CZ2-CD1 3.88Å; W245-W320 HydrophobicContact CZ2-CG 4.49Å; W245-W320 VanDerWaalsContact CZ2-O 3.28Å; W245-W320 WeakPolarHBondContact CZ2-O 3.17Å; W245-W320 PolarHBondContact NE1-O 3.31Å; W245-T322 HydrophobicContact CG-CG2 4.38Å
246Q81.4Confident77.6Confident108 Ų10886.2 Ų86.251%0.50541%0.41SS..  trans-83.2141.7-174.2-59.1-175.70.900112.3M242 D244M242-Q246 PolarHBondContact N-O 3.21Å; D244-Q246 HydrophobicContact CB-CG 4.12Å; D244-Q246 WeakPolarHBondContact O-CG 3.43Å; D244-Q246 PolarHBondContact O-N 3.37Å; D244-Q246 PolarHBondContact OD2-NE2 2.83Å
247L81Confident76.3Confident101 Ų10190.7 Ų90.753%0.52943%0.43SS..  trans-127.9137.3165.2-73.3162.6000106.2Y241 Y249Y241-L247 HydrophobicContact CD1-CD1 4.06Å; Y241-L247 HydrophobicContact CD1-CD2 4.5Å; Y241-L247 HydrophobicContact CD1-CG 3.95Å; Y241-L247 HydrophobicContact CE1-CD1 3.59Å; Y241-L247 HydrophobicContact CE1-CG 4.02Å; L247-Y249 HydrophobicContact CD2-CE1 4.42Å; L247-Y249 HydrophobicContact CD2-CE2 4.49Å
248P76.3Confident74.7Confident116 Ų11696.8 Ų96.875%0.75345%0.453SS*.SBendcis-91.9169.815.536-36.7000115.2R250P248-R250 PolarHBondContact O-N 3.34Å
249Y72Confident73.4Confident138 Ų13899 Ų9954%0.54145%0.453SS..  trans-65.4115.8178.9-53.6-73.8000112.9Y240 M242 L247Y240-Y249 VanDerWaalsContact O-CE1 3.24Å; Y240-Y249 WeakPolarHBondContact O-CE1 3.45Å; Y240-Y249 PolarHBondContact O-OH 3.49Å; Y240-Y249 VanDerWaalsContact O-OH 3.06Å; M242-Y249 HydrophobicContact CE-CD1 4.15Å; M242-Y249 HydrophobicContact CE-CG 4.49Å; M242-Y249 HydrophobicContact CG-CD1 4.4Å; L247-Y249 HydrophobicContact CD2-CE1 4.42Å; L247-Y249 HydrophobicContact CD2-CE2 4.49Å
250R70.6Confident72Confident195 Ų195105.4 Ų105.474%0.73647%0.471SS*.  trans-91.2138.9167-174.7177.2179.2178.1-0112.9M242 P248 L252M242-R250 HydrophobicContact CE-CB 4.46Å; M242-R250 WeakPolarHBondContact CE-O 3.42Å; M242-R250 HydrophobicContact SD-CB 3.86Å; M242-R250 PolarHBondContact SD-N 2.91Å; P248-R250 PolarHBondContact O-N 3.34Å; R250-L252 PolarHBondContact O-N 3.39Å; R250-L252 VanDerWaalsContact O-N 3.14Å
251K70.5Confident70.8Confident206 Ų206102.6 Ų102.690%0.89646%0.462SS*.  trans-67.8112.8169.5-68.9-179.4-178.3176.80109.8
252L69.3Low69.2Low76 Ų76104.2 Ų104.240%0.39847%0.468SS..  trans-84.7149.4172-66.2170.1000110.6R250R250-L252 PolarHBondContact O-N 3.39Å; R250-L252 VanDerWaalsContact O-N 3.14Å
253H70.2Confident68.6Low131 Ų131108.9 Ų108.961%0.60649%0.49SS*.  trans-68154.2177.2-172.9-109.3000110.8S255 D256 K257H253-S255 VanDerWaalsContact C-N 3.26Å; H253-S255 PolarHBondContact ND1-N 2.86Å; H253-S255 PolarHBondContact ND1-OG 3.49Å; H253-S255 PolarHBondContact O-N 2.9Å; H253-D256 PolarHBondContact O-N 2.9Å; H253-K257 WeakPolarHBondContact O-CB 3.23Å; H253-K257 PolarHBondContact O-N 2.97Å
254Y67.1Low68.4Low150 Ų150107.7 Ų107.759%0.58848%0.482SS*.Hα-helixtrans-57.9-38.2-178.2-174.5-78.6000111.7D256 K257 Y258Y254-D256 PolarHBondContact O-N 3.2Å; Y254-K257 PolarHBondContact O-N 2.9Å; Y254-Y258 AromaticContact CD1-CD2 3.63Å; Y254-Y258 HydrophobicContact CD1-CD2 3.63Å; Y254-Y258 HydrophobicContact CD1-CE2 4.15Å; Y254-Y258 HydrophobicContact CD1-CG 4.28Å; Y254-Y258 AromaticContact CD2-CD2 3.39Å; Y254-Y258 HydrophobicContact CD2-CD2 3.39Å; Y254-Y258 AromaticContact CD2-CE2 2.99Å; Y254-Y258 HydrophobicContact CD2-CE2 2.99Å; Y254-Y258 HydrophobicContact CD2-CG 4.43Å; Y254-Y258 AromaticContact CD2-CZ 3.76Å; Y254-Y258 AromaticContact CE1-CD2 3.55Å; Y254-Y258 HydrophobicContact CE1-CD2 3.55Å; Y254-Y258 HydrophobicContact CE1-CE2 4.1Å; Y254-Y258 AromaticContact CE1-CG 3.8Å; Y254-Y258 HydrophobicContact CE1-CG 3.8Å; Y254-Y258 HydrophobicContact CE2-CD1 4.26Å; Y254-Y258 AromaticContact CE2-CD2 3.32Å; Y254-Y258 HydrophobicContact CE2-CD2 3.32Å; Y254-Y258 AromaticContact CE2-CE1 3.91Å; Y254-Y258 HydrophobicContact CE2-CE1 3.91Å; Y254-Y258 AromaticContact CE2-CE2 2.93Å; Y254-Y258 HydrophobicContact CE2-CE2 2.93Å; Y254-Y258 AromaticContact CE2-CG 3.98Å; Y254-Y258 HydrophobicContact CE2-CG 3.98Å; Y254-Y258 AromaticContact CE2-CZ 3.22Å; Y254-Y258 AromaticContact CG-CD2 3.52Å; Y254-Y258 HydrophobicContact CG-CD2 3.52Å; Y254-Y258 AromaticContact CG-CE2 3.62Å; Y254-Y258 HydrophobicContact CG-CE2 3.62Å; Y254-Y258 AromaticContact CZ-CD1 3.94Å; Y254-Y258 AromaticContact CZ-CD2 3.37Å; Y254-Y258 AromaticContact CZ-CE2 3.5Å; Y254-Y258 AromaticContact CZ-CG 3.61Å; Y254-Y258 AromaticContact CZ-CZ 3.77Å; Y254-Y258 VanDerWaalsContact O-CD2 3.27Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.48Å; Y254-Y258 PolarHBondContact O-N 3.45Å
255S64.4Low68.3Low56 Ų56105.4 Ų105.439%0.39247%0.469SS..Hα-helixtrans-55.6-36.4176.355.30000113.1H253 W259H253-S255 VanDerWaalsContact C-N 3.26Å; H253-S255 PolarHBondContact ND1-N 2.86Å; H253-S255 PolarHBondContact ND1-OG 3.49Å; H253-S255 PolarHBondContact O-N 2.9Å; S255-W259 PolarHBondContact O-NE1 3.38Å
256D64.5Low68.2Low65 Ų65107.2 Ų107.235%0.34848%0.48SS..Hα-helixtrans-89.3-24.6-174.7-47.3-16.8000110.2H253 Y254 Y262H253-D256 PolarHBondContact O-N 2.9Å; Y254-D256 PolarHBondContact O-N 3.2Å; D256-Y262 HydrophobicContact CB-CE1 4.47Å; D256-Y262 WeakPolarHBondContact O-CD1 3.5Å; D256-Y262 VanDerWaalsContact O-CD2 3.25Å; D256-Y262 WeakPolarHBondContact O-CD2 3.28Å; D256-Y262 VanDerWaalsContact O-CE1 3.28Å; D256-Y262 WeakPolarHBondContact O-CE1 3.47Å; D256-Y262 WeakPolarHBondContact O-CE2 3.27Å
257K59.1Low68.3Low131 Ų131102.7 Ų102.757%0.5746%0.46SS*.Hα-helixtrans-79.1-28.9-176.9-172.9177.6177.4-170.60113.7H253 Y254H253-K257 WeakPolarHBondContact O-CB 3.23Å; H253-K257 PolarHBondContact O-N 2.97Å; Y254-K257 PolarHBondContact O-N 2.9Å
258Y54.2Low68.2Low133 Ų133100.6 Ų100.652%0.52245%0.449SS..SBendtrans-105.312-166.9-73.9-91.5000115.7Y254Y254-Y258 AromaticContact CD1-CD2 3.63Å; Y254-Y258 HydrophobicContact CD1-CD2 3.63Å; Y254-Y258 HydrophobicContact CD1-CE2 4.15Å; Y254-Y258 HydrophobicContact CD1-CG 4.28Å; Y254-Y258 AromaticContact CD2-CD2 3.39Å; Y254-Y258 HydrophobicContact CD2-CD2 3.39Å; Y254-Y258 AromaticContact CD2-CE2 2.99Å; Y254-Y258 HydrophobicContact CD2-CE2 2.99Å; Y254-Y258 HydrophobicContact CD2-CG 4.43Å; Y254-Y258 AromaticContact CD2-CZ 3.76Å; Y254-Y258 AromaticContact CE1-CD2 3.55Å; Y254-Y258 HydrophobicContact CE1-CD2 3.55Å; Y254-Y258 HydrophobicContact CE1-CE2 4.1Å; Y254-Y258 AromaticContact CE1-CG 3.8Å; Y254-Y258 HydrophobicContact CE1-CG 3.8Å; Y254-Y258 HydrophobicContact CE2-CD1 4.26Å; Y254-Y258 AromaticContact CE2-CD2 3.32Å; Y254-Y258 HydrophobicContact CE2-CD2 3.32Å; Y254-Y258 AromaticContact CE2-CE1 3.91Å; Y254-Y258 HydrophobicContact CE2-CE1 3.91Å; Y254-Y258 AromaticContact CE2-CE2 2.93Å; Y254-Y258 HydrophobicContact CE2-CE2 2.93Å; Y254-Y258 AromaticContact CE2-CG 3.98Å; Y254-Y258 HydrophobicContact CE2-CG 3.98Å; Y254-Y258 AromaticContact CE2-CZ 3.22Å; Y254-Y258 AromaticContact CG-CD2 3.52Å; Y254-Y258 HydrophobicContact CG-CD2 3.52Å; Y254-Y258 AromaticContact CG-CE2 3.62Å; Y254-Y258 HydrophobicContact CG-CE2 3.62Å; Y254-Y258 AromaticContact CZ-CD1 3.94Å; Y254-Y258 AromaticContact CZ-CD2 3.37Å; Y254-Y258 AromaticContact CZ-CE2 3.5Å; Y254-Y258 AromaticContact CZ-CG 3.61Å; Y254-Y258 AromaticContact CZ-CZ 3.77Å; Y254-Y258 VanDerWaalsContact O-CD2 3.27Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.48Å; Y254-Y258 PolarHBondContact O-N 3.45Å
259W57.5Low67.8Low153 Ų153102.2 Ų102.258%0.5844%0.444SS*.SBendtrans-79.6127.9163.5-74.762.9000108.3S255 I261 Y262S255-W259 PolarHBondContact O-NE1 3.38Å; W259-I261 HydrophobicContact CB-CB 4.46Å; W259-I261 HydrophobicContact CB-CG1 4.49Å; W259-I261 HydrophobicContact CE3-CD1 3.74Å; W259-I261 HydrophobicContact CE3-CG1 4.4Å; W259-I261 HydrophobicContact CZ3-CD1 4.29Å; W259-I261 PolarHBondContact O-N 3.13Å; W259-Y262 HydrophobicContact CB-CD2 3.57Å; W259-Y262 HydrophobicContact CB-CE2 3.73Å; W259-Y262 HydrophobicContact CG-CE2 4.33Å; W259-Y262 PolarHBondContact O-N 3.36Å
260R56.3Low67.3Low193 Ų19399.5 Ų99.573%0.72844%0.437SS*.G310 helixtrans-53.1-15.6175.1-81.1-175.2179.8178.7-1.6113.6Y262R260-Y262 PolarHBondContact O-N 2.74Å
261I58Low66.7Low34 Ų3492.4 Ų92.417%0.17443%0.425CS..G310 helixtrans-68.2-14.9176.7-46.3-176.3000112.1W259 P264 V311 Y314W259-I261 HydrophobicContact CB-CB 4.46Å; W259-I261 HydrophobicContact CB-CG1 4.49Å; W259-I261 HydrophobicContact CE3-CD1 3.74Å; W259-I261 HydrophobicContact CE3-CG1 4.4Å; W259-I261 HydrophobicContact CZ3-CD1 4.29Å; W259-I261 PolarHBondContact O-N 3.13Å; I261-P264 VanDerWaalsContact O-CD 3.22Å; I261-P264 WeakPolarHBondContact O-CD 3.48Å; I261-V311 HydrophobicContact CD1-CG2 4.37Å; I261-V311 HydrophobicContact CG1-CG2 4.25Å; I261-V311 HydrophobicContact CG2-CG2 4.26Å; I261-Y314 HydrophobicContact CG2-CD1 3.4Å; I261-Y314 VanDerWaalsContact CG2-CD1 3.4Å; I261-Y314 HydrophobicContact CG2-CD2 4.4Å; I261-Y314 HydrophobicContact CG2-CE1 3.95Å; I261-Y314 HydrophobicContact CG2-CG 3.65Å; I261-Y314 WeakPolarHBondContact O-CE1 3.28Å
262Y51.9Low65.9Low68 Ų6892.5 Ų92.527%0.26743%0.425SS..G310 helixtrans-96.16.9-169.6-78.2-103.3000117.1P243 D256 W259 R260 Y314P243-Y262 HydrophobicContact CG-CD1 4.26Å; D256-Y262 HydrophobicContact CB-CE1 4.47Å; D256-Y262 WeakPolarHBondContact O-CD1 3.5Å; D256-Y262 VanDerWaalsContact O-CD2 3.25Å; D256-Y262 WeakPolarHBondContact O-CD2 3.28Å; D256-Y262 VanDerWaalsContact O-CE1 3.28Å; D256-Y262 WeakPolarHBondContact O-CE1 3.47Å; D256-Y262 WeakPolarHBondContact O-CE2 3.27Å; W259-Y262 HydrophobicContact CB-CD2 3.57Å; W259-Y262 HydrophobicContact CB-CE2 3.73Å; W259-Y262 HydrophobicContact CG-CE2 4.33Å; W259-Y262 PolarHBondContact O-N 3.36Å; R260-Y262 PolarHBondContact O-N 2.74Å; Y262-Y314 HydrophobicContact CD1-CE2 4.45Å; Y262-Y314 AromaticContact CD1-CZ 3.88Å; Y262-Y314 WeakPolarHBondContact CD1-OH 3.28Å; Y262-Y314 AromaticContact CE1-CE2 3.84Å; Y262-Y314 HydrophobicContact CE1-CE2 3.84Å; Y262-Y314 AromaticContact CE1-CZ 3.7Å; Y262-Y314 WeakPolarHBondContact CE1-OH 3.47Å; Y262-Y314 HydrophobicContact CE2-CE2 4Å; Y262-Y314 AromaticContact CZ-CE2 3.59Å; Y262-Y314 AromaticContact CZ-CZ 3.85Å
263E66.9Low65.7Low134 Ų13494.1 Ų94.163%0.62643%0.431SS*.  trans-97.415.6175.1-59.6-164.9163.900117.4W265 I266E263-W265 PolarHBondContact O-N 2.83Å; E263-W265 VanDerWaalsContact O-N 3.17Å; E263-I266 HydrophobicContact CB-CD1 3.79Å; E263-I266 HydrophobicContact CB-CG1 4.27Å; E263-I266 HydrophobicContact CG-CD1 3.62Å; E263-I266 PolarHBondContact O-N 3.19Å
264P76.6Confident65.4Low2 Ų296 Ų961%0.01344%0.438CS..THydrogen-bonded Turntrans-78.91-177.336.6-36.8000113.7I261 Y297 V298 L315 W320I261-P264 VanDerWaalsContact O-CD 3.22Å; I261-P264 WeakPolarHBondContact O-CD 3.48Å; P264-Y297 WeakPolarHBondContact O-CB 3.32Å; P264-V298 WeakPolarHBondContact CA-O 3.32Å; P264-L315 HydrophobicContact CB-CD2 3.82Å; P264-L315 HydrophobicContact CG-CD2 3.77Å; P264-W320 PolarHBondContact O-NE1 2.87Å
265W81.7Confident65.3Low3 Ų392.3 Ų92.31%0.01143%0.428CS..THydrogen-bonded Turntrans-110.113.2173.9-63.5-83.9000113Y241 P243 W245 E263 Y297 Y314 N318Y241-W265 PolarHBondContact N-O 3.42Å; Y241-W265 VanDerWaalsContact N-O 3.11Å; Y241-W265 VanDerWaalsContact O-CB 3.24Å; Y241-W265 WeakPolarHBondContact O-CB 3Å; P243-W265 HydrophobicContact CB-CD2 4.48Å; P243-W265 HydrophobicContact CB-CE3 4.08Å; P243-W265 HydrophobicContact CB-CH2 3.77Å; P243-W265 HydrophobicContact CB-CZ2 4.17Å; P243-W265 HydrophobicContact CB-CZ3 3.7Å; P243-W265 HydrophobicContact CG-CE3 3.84Å; P243-W265 HydrophobicContact CG-CH2 4.22Å; P243-W265 HydrophobicContact CG-CZ3 3.63Å; W245-W265 AromaticContact CD2-CD1 3.74Å; W245-W265 AromaticContact CD2-NE1 3.92Å; W245-W265 AromaticContact CE2-CD1 3.78Å; W245-W265 AromaticContact CE2-NE1 3.64Å; W245-W265 AromaticContact CE3-CD1 3.76Å; W245-W265 AromaticContact CH2-CD1 3.86Å; W245-W265 AromaticContact CZ2-CD1 3.83Å; W245-W265 AromaticContact CZ2-NE1 3.87Å; W245-W265 AromaticContact CZ3-CD1 3.83Å; W245-W265 AromaticContact NE1-NE1 3.88Å; E263-W265 PolarHBondContact O-N 2.83Å; E263-W265 VanDerWaalsContact O-N 3.17Å; W265-Y297 VanDerWaalsContact C-CD1 3.41Å; W265-Y297 VanDerWaalsContact O-CE1 3.31Å; W265-Y297 WeakPolarHBondContact O-CE1 3.24Å; W265-Y314 HydrophobicContact CH2-CD1 4.27Å; W265-Y314 AromaticContact CH2-CE1 3.42Å; W265-Y314 HydrophobicContact CH2-CE1 3.42Å; W265-Y314 VanDerWaalsContact CH2-CE1 3.42Å; W265-Y314 AromaticContact CH2-CZ 3.88Å; W265-Y314 AromaticContact CZ3-CE1 3.5Å; W265-Y314 HydrophobicContact CZ3-CE1 3.5Å; W265-Y314 VanDerWaalsContact CZ3-CE1 3.5Å; W265-Y314 AromaticContact CZ3-CZ 3.86Å; W265-Y314 WeakPolarHBondContact CZ3-OH 3.35Å; W265-N318 HydrophobicContact CH2-CB 3.64Å; W265-N318 HydrophobicContact CZ2-CB 3.58Å
266I82.2Confident65.5Low59 Ų5990.4 Ų90.430%0.30341%0.413SS..SBendtrans-99126.5173.5-56.5-176000108.7Y240 E263Y240-I266 HydrophobicContact CD1-CG1 4.4Å; Y240-I266 HydrophobicContact CD1-CG2 3.96Å; Y240-I266 HydrophobicContact CE1-CG2 3.74Å; E263-I266 HydrophobicContact CB-CD1 3.79Å; E263-I266 HydrophobicContact CB-CG1 4.27Å; E263-I266 HydrophobicContact CG-CD1 3.62Å; E263-I266 PolarHBondContact O-N 3.19Å
267P83.4Confident65.5Low12 Ų1289.7 Ų89.78%0.07842%0.416CS..BIsolated β-bridgetrans-70.2148.1177.430.3-35.1000110.7D238 K269 G296 Y297D238-P267 WeakPolarHBondContact O-CG 3.32Å; P267-K269 PolarHBondContact O-N 2.9Å; P267-G296 WeakPolarHBondContact CA-O 3.36Å; P267-Y297 HydrophobicContact CB-CE1 4.16Å
268I80.2Confident66Low57 Ų5788.5 Ų88.529%0.29242%0.415SS..PPolyproline II helixtrans-57.8122.8174.8-60.6166.7000109.3R220 G296 V298R220-I268 HydrophobicContact CG-CD1 4.36Å; I268-G296 WeakPolarHBondContact CG1-O 3.36Å; I268-G296 PolarHBondContact N-O 2.93Å; I268-V298 HydrophobicContact CD1-CG2 3.48Å; I268-V298 VanDerWaalsContact CD1-CG2 3.48Å; I268-V298 HydrophobicContact CG1-CB 4.49Å; I268-V298 HydrophobicContact CG1-CG2 3.48Å; I268-V298 VanDerWaalsContact CG1-CG2 3.48Å
269K67.9Low66.8Low150 Ų15082.8 Ų82.865%0.65239%0.394SS*.PPolyproline II helixtrans-88.2119.9169.8-71.3-176.6-179.8177.80109.9Y240 P267 G271Y240-K269 WeakPolarHBondContact OH-CE 3.3Å; Y240-K269 PolarHBondContact OH-NZ 3.14Å; P267-K269 PolarHBondContact O-N 2.9Å; K269-G271 PolarHBondContact O-N 3.46Å
270M61.5Low67.6Low81 Ų8175.6 Ų75.640%0.39937%0.367SS..PPolyproline II helixtrans-66.1122.1171-76.6-66.8-76.700111.1L294M270-L294 HydrophobicContact CE-CB 4.38Å; M270-L294 HydrophobicContact CE-CD1 3.24Å; M270-L294 HydrophobicContact CE-CG 4.25Å; M270-L294 HydrophobicContact SD-CB 3.57Å; M270-L294 VanDerWaalsContact SD-CB 3.57Å; M270-L294 HydrophobicContact SD-CD1 3.48Å; M270-L294 WeakPolarHBondContact SD-CD1 3.42Å; M270-L294 HydrophobicContact SD-CD2 3.86Å; M270-L294 HydrophobicContact SD-CG 3.81Å
271G57.7Low68.5Low46 Ų4671.8 Ų71.847%0.47436%0.361SS..PPolyproline II helixtrans-75.7126.1153.200000108.1K269 E273K269-G271 PolarHBondContact O-N 3.46Å; G271-E273 PolarHBondContact O-N 3.14Å
272F53.3Low69.5Low208 Ų20875.1 Ų75.191%0.91237%0.374SS*.  trans-73.464.4174.8-81.8-84.8000111
273E65.6Low71.1Confident111 Ų11176.2 Ų76.252%0.51939%0.385SS..  trans-86.2124.3164.3-66-170.2173.500108.4G271 L275 D276 A277 R457G271-E273 PolarHBondContact O-N 3.14Å; E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.13Å; E273-D276 HydrophobicContact CB-CB 4.21Å; E273-D276 WeakPolarHBondContact O-CB 3.41Å; E273-D276 PolarHBondContact O-N 2.88Å; E273-A277 PolarHBondContact O-N 3.35Å; E273-A277 VanDerWaalsContact O-N 3.08Å; E273-R457 IonicContact OE2-NH1 3.6Å
274F64.4Low72Confident169 Ų16970.7 Ų70.774%0.74136%0.359SS*.Hα-helixtrans-52.2-37.8-179.3172.3-98.2000112.6D276 A277 L278F274-D276 VanDerWaalsContact C-N 3.31Å; F274-D276 PolarHBondContact O-N 3.24Å; F274-A277 PolarHBondContact O-N 2.69Å; F274-L278 HydrophobicContact CE1-CD2 4.28Å; F274-L278 WeakPolarHBondContact O-CB 3.34Å; F274-L278 PolarHBondContact O-N 3.4Å
275L65.1Low72.4Confident73 Ų7375.3 Ų75.338%0.38239%0.387SS..Hα-helixtrans-68.1-32179.6-168144.1000112.1E273 L278 L279 L436E273-L275 PolarHBondContact O-N 3.43Å; E273-L275 VanDerWaalsContact O-N 3.13Å; L275-L278 PolarHBondContact O-N 3.2Å; L275-L279 HydrophobicContact CD1-CD1 4.43Å; L275-L279 HydrophobicContact CD2-CD1 3.35Å; L275-L279 HydrophobicContact CD2-CG 4.24Å; L275-L279 HydrophobicContact CG-CD1 3.7Å; L275-L279 HydrophobicContact CG-CG 4.32Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.27Å; L275-L279 PolarHBondContact O-N 3.43Å; L275-L436 HydrophobicContact CD2-CD1 4.17Å
276D67Low72.6Confident17 Ų1775.6 Ų75.69%0.09139%0.391CS..Hα-helixtrans-74.6-40.1176.6-68.3-2.4000110.5E273 F274 L278 M280 N281 R457E273-D276 HydrophobicContact CB-CB 4.21Å; E273-D276 WeakPolarHBondContact O-CB 3.41Å; E273-D276 PolarHBondContact O-N 2.88Å; F274-D276 VanDerWaalsContact C-N 3.31Å; F274-D276 PolarHBondContact O-N 3.24Å; D276-L278 PolarHBondContact O-N 3.26Å; D276-M280 WeakPolarHBondContact O-CA 3.49Å; D276-M280 WeakPolarHBondContact O-CB 3.26Å; D276-M280 PolarHBondContact O-N 3.12Å; D276-N281 PolarHBondContact O-N 3.06Å; D276-R457 IonicContact OD1-CZ 3.99Å; D276-R457 IonicContact OD1-NE 3.4Å; D276-R457 PolarHBondContact OD1-NE 2.96Å; D276-R457 IonicContact OD1-NH1 2.84Å; D276-R457 PolarHBondContact OD1-NH1 3.23Å; D276-R457 IonicContact OD1-NH2 3.5Å; D276-R457 PolarHBondContact OD1-NH2 2.84Å; D276-R457 IonicContact OD2-CZ 3.04Å; D276-R457 VanDerWaalsContact OD2-CZ 3.23Å; D276-R457 IonicContact OD2-NH1 3.35Å; D276-R457 PolarHBondContact OD2-NH1 3.46Å; D276-R457 IonicContact OD2-NH2 2.66Å; D276-R457 PolarHBondContact OD2-NH2 2.89Å
277A65.6Low72.5Confident49 Ų4976.1 Ų76.141%0.40540%0.399SS..Hα-helixtrans-64.2-27.8171.900000113E273 F274 N281E273-A277 PolarHBondContact O-N 3.35Å; E273-A277 VanDerWaalsContact O-N 3.08Å; F274-A277 PolarHBondContact O-N 2.69Å; A277-N281 WeakPolarHBondContact O-CB 3.49Å
278L69.9Low72.4Confident106 Ų10679.7 Ų79.756%0.55542%0.418SS*.Hα-helixtrans-87.8-41.6178.7-171.168.9000113F274 L275 D276F274-L278 HydrophobicContact CE1-CD2 4.28Å; F274-L278 WeakPolarHBondContact O-CB 3.34Å; F274-L278 PolarHBondContact O-N 3.4Å; L275-L278 PolarHBondContact O-N 3.2Å; D276-L278 PolarHBondContact O-N 3.26Å
279L70.4Confident72.7Confident13 Ų1378.6 Ų78.67%0.06841%0.412CS..Hα-helixtrans-100.3-21.8-172.2-60.9178.5000114.9L275 F282 L436 R460 M461L275-L279 HydrophobicContact CD1-CD1 4.43Å; L275-L279 HydrophobicContact CD2-CD1 3.35Å; L275-L279 HydrophobicContact CD2-CG 4.24Å; L275-L279 HydrophobicContact CG-CD1 3.7Å; L275-L279 HydrophobicContact CG-CG 4.32Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.27Å; L275-L279 PolarHBondContact O-N 3.43Å; L279-F282 VanDerWaalsContact O-CD2 3.22Å; L279-F282 WeakPolarHBondContact O-CD2 3.25Å; L279-F282 WeakPolarHBondContact O-CE2 3.47Å; L279-L436 HydrophobicContact CD1-CD1 4.22Å; L279-R460 VanDerWaalsContact O-CD 3.28Å; L279-R460 WeakPolarHBondContact O-CD 3.36Å; L279-R460 PolarHBondContact O-NH1 2.84Å; L279-M461 HydrophobicContact CD1-CE 3.54Å; L279-M461 HydrophobicContact CD1-CG 4.03Å; L279-M461 HydrophobicContact CD1-SD 4.28Å; L279-M461 HydrophobicContact CD2-CE 3.38Å; L279-M461 HydrophobicContact CD2-CG 4.34Å; L279-M461 HydrophobicContact CD2-SD 3.68Å; L279-M461 HydrophobicContact CG-CE 3.96Å
280M73.6Confident73.7Confident2 Ų274.3 Ų74.31%0.0140%0.401CS..THydrogen-bonded Turntrans-109.8-11-177.5-57-64.8-66.400112.7D276 F282 L294 D454 R456 R457D276-M280 WeakPolarHBondContact O-CA 3.49Å; D276-M280 WeakPolarHBondContact O-CB 3.26Å; D276-M280 PolarHBondContact O-N 3.12Å; M280-F282 PolarHBondContact O-N 3.17Å; M280-L294 HydrophobicContact CB-CD1 3.86Å; M280-L294 HydrophobicContact CB-CD2 3.82Å; M280-L294 HydrophobicContact CB-CG 4.14Å; M280-L294 WeakPolarHBondContact O-CD1 3.36Å; M280-D454 WeakPolarHBondContact CE-OD2 3.32Å; M280-R456 HydrophobicContact CE-CB 4.21Å; M280-R456 HydrophobicContact SD-CB 4.36Å; M280-R457 HydrophobicContact CG-CG 3.88Å; M280-R457 HydrophobicContact SD-CB 4.46Å; M280-R457 HydrophobicContact SD-CG 3.43Å; M280-R457 WeakPolarHBondContact SD-CG 3.29Å
281N75.3Confident75.1Confident113 Ų11370.4 Ų70.460%0.60438%0.382SS*.  trans-79.661177.6-167.932.1000111.5D276 A277D276-N281 PolarHBondContact O-N 3.06Å; A277-N281 WeakPolarHBondContact O-CB 3.49Å
282F79.4Confident76.5Confident105 Ų10569.8 Ų69.846%0.46137%0.369SS..  trans-113.5144.4174.4-71.1-92.5000109.5L279 M280 E293L279-F282 VanDerWaalsContact O-CD2 3.22Å; L279-F282 WeakPolarHBondContact O-CD2 3.25Å; L279-F282 WeakPolarHBondContact O-CE2 3.47Å; M280-F282 PolarHBondContact O-N 3.17Å; F282-E293 VanDerWaalsContact O-CB 3.3Å; F282-E293 WeakPolarHBondContact O-CB 3.43Å; F282-E293 PolarHBondContact O-N 3.32Å
283D84.7Confident78Confident90 Ų9060 Ų6048%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-96.2126.5169.2-64.8-24.6000109V285 Y291 P292D283-V285 PolarHBondContact O-N 3.49Å; D283-V285 VanDerWaalsContact O-N 3.16Å; D283-Y291 CarbonylContact C-O 3.57Å; D283-Y291 WeakPolarHBondContact CA-O 3.48Å; D283-P292 WeakPolarHBondContact OD1-CA 3.47Å
284H86.4Confident78.8Confident19 Ų1956.3 Ų56.39%0.08831%0.31CS..EExtended strand (participates in β ladder)trans-69110.6166.9-71.6-88.2000108.3G286 S290 Y291 F329H284-G286 PolarHBondContact O-N 3.37Å; H284-G286 VanDerWaalsContact O-N 3.12Å; H284-S290 WeakPolarHBondContact O-CA 3.03Å; H284-Y291 PolarHBondContact N-O 2.9Å; H284-Y291 PolarHBondContact O-N 3.45Å; H284-F329 HydrophobicContact CB-CE1 3.9Å; H284-F329 HydrophobicContact CB-CZ 3.96Å; H284-F329 AromaticContact CD2-CE1 3.76Å; H284-F329 AromaticContact CG-CE1 3.66Å
285V86.3Confident79.8Confident98 Ų9849.1 Ų49.159%0.59428%0.282SS*.EExtended strand (participates in β ladder)trans-74.1103.7177.4-177.40000108.5D283D283-V285 PolarHBondContact O-N 3.49Å; D283-V285 VanDerWaalsContact O-N 3.16Å
286G83.9Confident80.9Confident9 Ų945.7 Ų45.79%0.09327%0.265CS..  trans-80.1-172.7174.800000113.7H284 N289 E350H284-G286 PolarHBondContact O-N 3.37Å; H284-G286 VanDerWaalsContact O-N 3.12Å; G286-N289 VanDerWaalsContact CA-O 3.24Å; G286-N289 WeakPolarHBondContact CA-O 3.48Å; G286-N289 PolarHBondContact N-O 3.08Å; G286-E350 WeakPolarHBondContact CA-OE2 3.35Å
287S81.4Confident82Confident70 Ų7044.9 Ų44.949%0.4926%0.26SS..SBendtrans-68.1-43176.2-176.60000110.8E350S287-E350 PolarHBondContact N-OE2 3.26Å
288L81.5Confident83.1Confident88 Ų8844.1 Ų44.146%0.46125%0.251SS..SBendtrans-107.4-52.4179.3-172.269.9000112.4E350 P353L288-E350 WeakPolarHBondContact CB-OE1 3.44Å; L288-E350 PolarHBondContact N-OE1 3.4Å; L288-P353 HydrophobicContact CD2-CG 3.7Å
289N85.3Confident84Confident33 Ų3339.5 Ų39.518%0.17623%0.227CC..  trans-115.3156.9-172.2-66.9-45000112.7P234 G286 Y291P234-N289 HydrophobicContact CG-CB 4.28Å; G286-N289 VanDerWaalsContact CA-O 3.24Å; G286-N289 WeakPolarHBondContact CA-O 3.48Å; G286-N289 PolarHBondContact N-O 3.08Å; N289-Y291 HydrophobicContact CB-CE1 4.35Å; N289-Y291 HydrophobicContact CB-CE2 4.25Å; N289-Y291 WeakPolarHBondContact O-CE2 3.38Å
290S88.9Confident84.9Confident60 Ų6042 Ų4242%0.4224%0.24SC..EExtended strand (participates in β ladder)trans-91.4132.3167.8-64.70000109.6H284H284-S290 WeakPolarHBondContact O-CA 3.03Å
291Y90.5Very high85.7Confident0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-113.7117.8-174.7-64-76.3000111.2L222 F236 D283 H284 N289 E293 S326 A327 F329 E350L222-Y291 HydrophobicContact CB-CD1 4.37Å; L222-Y291 HydrophobicContact CD1-CD1 4.08Å; L222-Y291 HydrophobicContact CD1-CG 4.4Å; L222-Y291 HydrophobicContact CD2-CD1 4.5Å; F236-Y291 AromaticContact CE1-CD1 3.88Å; F236-Y291 HydrophobicContact CE1-CD1 3.88Å; F236-Y291 AromaticContact CE1-CE1 3.95Å; F236-Y291 HydrophobicContact CE1-CE1 3.95Å; F236-Y291 AromaticContact CZ-CD1 3.58Å; F236-Y291 HydrophobicContact CZ-CD1 3.58Å; F236-Y291 AromaticContact CZ-CE1 3.89Å; F236-Y291 HydrophobicContact CZ-CE1 3.89Å; D283-Y291 CarbonylContact C-O 3.57Å; D283-Y291 WeakPolarHBondContact CA-O 3.48Å; H284-Y291 PolarHBondContact N-O 2.9Å; H284-Y291 PolarHBondContact O-N 3.45Å; N289-Y291 HydrophobicContact CB-CE1 4.35Å; N289-Y291 HydrophobicContact CB-CE2 4.25Å; N289-Y291 WeakPolarHBondContact O-CE2 3.38Å; Y291-E293 PolarHBondContact O-N 2.83Å; Y291-S326 WeakPolarHBondContact CE1-OG 3.22Å; Y291-S326 PolarHBondContact OH-O 2.84Å; Y291-S326 PolarHBondContact OH-OG 3.45Å; Y291-A327 HydrophobicContact CD1-CB 3.78Å; Y291-A327 HydrophobicContact CD2-CB 4.31Å; Y291-A327 HydrophobicContact CE1-CB 3.53Å; Y291-A327 HydrophobicContact CE2-CB 4.09Å; Y291-A327 HydrophobicContact CG-CB 4.16Å; Y291-F329 HydrophobicContact CD2-CZ 4.31Å; Y291-F329 HydrophobicContact CG-CE2 4.26Å; Y291-F329 HydrophobicContact CG-CZ 4.15Å; Y291-E350 HydrophobicContact CE2-CG 4.23Å; Y291-E350 WeakPolarHBondContact OH-CG 3.4Å; Y291-E350 PolarHBondContact OH-OE1 3.01Å
292P88.7Confident86.1Confident32 Ų3237.1 Ų37.121%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-63.4131.9175.324.4-31.9000110.4R220 L222 F236 D283 L294 A295R220-P292 PolarHBondContact NH1-O 3.17Å; L222-P292 HydrophobicContact CD2-CG 3.98Å; F236-P292 HydrophobicContact CD2-CG 3.83Å; F236-P292 HydrophobicContact CE2-CG 4.04Å; D283-P292 WeakPolarHBondContact OD1-CA 3.47Å; P292-L294 VanDerWaalsContact C-N 3.32Å; P292-L294 PolarHBondContact O-N 3.26Å; P292-A295 HydrophobicContact CB-CB 4.21Å; P292-A295 HydrophobicContact CG-CB 3.82Å
293E84.5Confident86Confident2 Ų238 Ų381%0.00922%0.216CC..THydrogen-bonded Turntrans-71.7-28.5-177.7-175.1177.3-167.800113.4R220 F282 Y291 R456 R460R220-E293 PolarHBondContact NE-O 2.96Å; R220-E293 PolarHBondContact NH1-O 3.29Å; F282-E293 VanDerWaalsContact O-CB 3.3Å; F282-E293 WeakPolarHBondContact O-CB 3.43Å; F282-E293 PolarHBondContact O-N 3.32Å; Y291-E293 PolarHBondContact O-N 2.83Å; E293-R456 WeakPolarHBondContact OE1-CD 3.28Å; E293-R456 IonicContact OE1-CZ 3.47Å; E293-R456 IonicContact OE1-NE 2.71Å; E293-R456 PolarHBondContact OE1-NE 3.42Å; E293-R456 IonicContact OE1-NH1 3.46Å; E293-R456 PolarHBondContact OE1-NH1 3.24Å; E293-R456 IonicContact OE1-NH2 2.65Å; E293-R460 IonicContact OE1-CZ 2.79Å; E293-R460 IonicContact OE1-NH1 3.43Å; E293-R460 IonicContact OE1-NH2 2.76Å; E293-R460 PolarHBondContact OE1-NH2 2.98Å; E293-R460 IonicContact OE2-CZ 2.64Å; E293-R460 IonicContact OE2-NH1 3.8Å; E293-R460 PolarHBondContact OE2-NH1 3.4Å; E293-R460 IonicContact OE2-NH2 3.22Å; E293-R460 PolarHBondContact OE2-NH2 3.36Å
294L82Confident85.9Confident34 Ų3436.3 Ų36.318%0.17821%0.211CC..THydrogen-bonded Turntrans-93.4-0.3-174.1-66.4173.2000113.9M270 M280 P292M270-L294 HydrophobicContact CE-CB 4.38Å; M270-L294 HydrophobicContact CE-CD1 3.24Å; M270-L294 HydrophobicContact CE-CG 4.25Å; M270-L294 HydrophobicContact SD-CB 3.57Å; M270-L294 VanDerWaalsContact SD-CB 3.57Å; M270-L294 HydrophobicContact SD-CD1 3.48Å; M270-L294 WeakPolarHBondContact SD-CD1 3.42Å; M270-L294 HydrophobicContact SD-CD2 3.86Å; M270-L294 HydrophobicContact SD-CG 3.81Å; M280-L294 HydrophobicContact CB-CD1 3.86Å; M280-L294 HydrophobicContact CB-CD2 3.82Å; M280-L294 HydrophobicContact CB-CG 4.14Å; M280-L294 WeakPolarHBondContact O-CD1 3.36Å; P292-L294 VanDerWaalsContact C-N 3.32Å; P292-L294 PolarHBondContact O-N 3.26Å
295A85.3Confident85.9Confident18 Ų1836.6 Ų36.615%0.14922%0.217CC..  trans-108.1165.7176.200000111.7R220 L222 P292R220-A295 PolarHBondContact NH1-O 3Å; L222-A295 HydrophobicContact CD2-CB 4.32Å; P292-A295 HydrophobicContact CB-CB 4.21Å; P292-A295 HydrophobicContact CG-CB 3.82Å
296G87.8Confident86Confident2 Ų234.9 Ų34.92%0.02121%0.213CC..SBendtrans110-173.417800000113.5Q221 P267 I268Q221-G296 CarbonylContact O-C 3.52Å; Q221-G296 WeakPolarHBondContact O-CA 3.4Å; P267-G296 WeakPolarHBondContact CA-O 3.36Å; I268-G296 WeakPolarHBondContact CG1-O 3.36Å; I268-G296 PolarHBondContact N-O 2.93Å
297Y90.3Very high86.2Confident0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-110.3132.7-174.2-64.8-81.3000109.7R220 Q221 R223 S237 T239 Y241 W245 P264 W265 P267R220-Y297 CarbonylContact C-O 3.5Å; R220-Y297 VanDerWaalsContact CA-O 3.29Å; R220-Y297 WeakPolarHBondContact CA-O 3.28Å; Q221-Y297 PolarHBondContact N-O 3.5Å; Q221-Y297 PolarHBondContact O-N 3.33Å; R223-Y297 HydrophobicContact CB-CD2 4.42Å; R223-Y297 HydrophobicContact CB-CE2 4.16Å; S237-Y297 PolarHBondContact O-OH 2.92Å; T239-Y297 PolarHBondContact N-OH 3.4Å; T239-Y297 WeakPolarHBondContact O-CE1 3.31Å; T239-Y297 PolarHBondContact O-OH 3.29Å; Y241-Y297 HydrophobicContact CD2-CE1 4Å; Y241-Y297 AromaticContact CD2-CZ 3.71Å; Y241-Y297 VanDerWaalsContact CD2-OH 3.27Å; Y241-Y297 WeakPolarHBondContact CD2-OH 3.27Å; Y241-Y297 HydrophobicContact CE2-CE2 4.48Å; Y241-Y297 AromaticContact CE2-CZ 3.85Å; Y241-Y297 WeakPolarHBondContact CE2-OH 3Å; W245-Y297 HydrophobicContact CH2-CD1 4.3Å; W245-Y297 AromaticContact CH2-CD2 3.65Å; W245-Y297 HydrophobicContact CH2-CD2 3.65Å; W245-Y297 HydrophobicContact CH2-CE2 4.1Å; W245-Y297 AromaticContact CH2-CG 3.77Å; W245-Y297 HydrophobicContact CH2-CG 3.77Å; W245-Y297 HydrophobicContact CZ3-CD1 4.2Å; W245-Y297 AromaticContact CZ3-CD2 3.77Å; W245-Y297 HydrophobicContact CZ3-CD2 3.77Å; W245-Y297 HydrophobicContact CZ3-CE1 4.15Å; W245-Y297 AromaticContact CZ3-CE2 3.73Å; W245-Y297 HydrophobicContact CZ3-CE2 3.73Å; W245-Y297 HydrophobicContact CZ3-CG 4.02Å; W245-Y297 AromaticContact CZ3-CZ 3.93Å; P264-Y297 WeakPolarHBondContact O-CB 3.32Å; W265-Y297 VanDerWaalsContact C-CD1 3.41Å; W265-Y297 VanDerWaalsContact O-CE1 3.31Å; W265-Y297 WeakPolarHBondContact O-CE1 3.24Å; P267-Y297 HydrophobicContact CB-CE1 4.16Å
298V88.8Confident86.5Confident33 Ų3334.9 Ų34.920%0.221%0.205CC..EExtended strand (participates in β ladder)trans-117.7128.5-170.1173.80000111.7R218 L219 R220 P264 I268 L300R218-V298 HydrophobicContact CG-CG1 3.49Å; R218-V298 VanDerWaalsContact CG-CG1 3.49Å; L219-V298 CarbonylContact O-C 3.5Å; L219-V298 WeakPolarHBondContact O-CA 3.49Å; R220-V298 HydrophobicContact CB-CG2 4.18Å; R220-V298 HydrophobicContact CG-CG2 4.01Å; P264-V298 WeakPolarHBondContact CA-O 3.32Å; I268-V298 HydrophobicContact CD1-CG2 3.48Å; I268-V298 VanDerWaalsContact CD1-CG2 3.48Å; I268-V298 HydrophobicContact CG1-CB 4.49Å; I268-V298 HydrophobicContact CG1-CG2 3.48Å; I268-V298 VanDerWaalsContact CG1-CG2 3.48Å; V298-L300 HydrophobicContact CG1-CD2 4.19Å
299S89.6Confident87Confident8 Ų832.6 Ų32.66%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-116.8140.7165.2-166.60000110L219L219-S299 PolarHBondContact N-O 3.49Å; L219-S299 PolarHBondContact O-N 3.45Å
300L89.6Confident87.2Confident65 Ų6536.5 Ų36.534%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-106.2128.9176.2-62.4-178.9000109.5V216 R218 V298 F452V216-L300 HydrophobicContact CG2-CB 4.41Å; V216-L300 HydrophobicContact CG2-CD1 4.4Å; V216-L300 HydrophobicContact CG2-CD2 4.3Å; R218-L300 HydrophobicContact CB-CD2 3.77Å; R218-L300 HydrophobicContact CG-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CD2 4.19Å; L300-F452 HydrophobicContact CD1-CB 4.45Å; L300-F452 HydrophobicContact CD2-CB 3.8Å; L300-F452 HydrophobicContact CD2-CG 4.46Å
301L88.7Confident87.2Confident4 Ų434.2 Ų34.22%0.02119%0.191CC..  trans-73.2156.4167.4-67176.3000109.7I185 V190 V216 M217 L219 V311 I312I185-L301 HydrophobicContact CG2-CD1 3.82Å; V190-L301 HydrophobicContact CG2-CD1 4.37Å; V216-L301 VanDerWaalsContact CB-O 3.31Å; V216-L301 WeakPolarHBondContact CB-O 3.42Å; V216-L301 WeakPolarHBondContact CG1-O 3.36Å; M217-L301 HydrophobicContact CB-CB 4.26Å; M217-L301 HydrophobicContact CB-CD1 4.04Å; M217-L301 PolarHBondContact O-N 3.36Å; M217-L301 HydrophobicContact SD-CD1 4.2Å; L219-L301 HydrophobicContact CD1-CD1 4.45Å; L219-L301 HydrophobicContact CD1-CD2 4.15Å; L219-L301 HydrophobicContact CD1-CG 4.18Å; L219-L301 HydrophobicContact CD2-CD1 4.45Å; L219-L301 HydrophobicContact CG-CD1 4.47Å; L219-L301 HydrophobicContact CG-CG 4.31Å; L301-V311 HydrophobicContact CD2-CB 4.42Å; L301-V311 HydrophobicContact CD2-CG1 4.21Å; L301-I312 HydrophobicContact CD2-CD1 4.2Å; L301-I312 HydrophobicContact CD2-CG1 3.87Å
302A83.9Confident87.2Confident10 Ų1034.5 Ų34.58%0.08319%0.193CC..  trans-85.2168.2174.800000110.6N307 S308 M450A302-N307 HydrophobicContact CB-CB 3.4Å; A302-S308 WeakPolarHBondContact CA-OG 3.1Å; A302-S308 PolarHBondContact N-OG 2.85Å; A302-S308 PolarHBondContact O-OG 3.22Å; A302-M450 HydrophobicContact CB-CE 3.89Å
303R78.7Confident87.4Confident123 Ų12336.8 Ų36.846%0.46420%0.203SC..SBendtrans-75.9-31.6171.5-170.3170.8179.4168.81.5112.9
304S82.7Confident87.6Confident55 Ų5537.9 Ų37.939%0.38521%0.208SC..SBendtrans-84130.4178.21690000110.2A306 N307 S308S304-A306 VanDerWaalsContact C-N 3.29Å; S304-A306 PolarHBondContact O-N 2.9Å; S304-N307 PolarHBondContact O-N 3.34Å; S304-S308 PolarHBondContact O-N 2.85Å; S304-S308 PolarHBondContact O-OG 3.4Å
305A86.2Confident88.1Confident25 Ų2536.2 Ų36.221%0.20720%0.199CC..Hα-helixtrans-49.6-48.5176.800000112.5V190 N194 N307 S308 M309V190-A305 HydrophobicContact CG1-CB 3.99Å; N194-A305 HydrophobicContact CB-CB 3.97Å; A305-N307 VanDerWaalsContact C-N 3.3Å; A305-N307 PolarHBondContact O-N 3.06Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.15Å; A305-M309 WeakPolarHBondContact O-CG 3.33Å; A305-M309 PolarHBondContact O-N 3.15Å
306A87.8Confident88.4Confident61 Ų6138.3 Ų38.350%0.50421%0.212SC..Hα-helixtrans-62.2-34.9-178.800000113.3S304 K310S304-A306 VanDerWaalsContact C-N 3.29Å; S304-A306 PolarHBondContact O-N 2.9Å; A306-K310 WeakPolarHBondContact O-CG 3.33Å; A306-K310 PolarHBondContact O-N 2.89Å
307N87.2Confident88.5Confident76 Ų7645 Ų4541%0.40624%0.243SC..Hα-helixtrans-77.1-35.3176.6-72.8-16.9000111.5A302 S304 A305 K310 V311A302-N307 HydrophobicContact CB-CB 3.4Å; S304-N307 PolarHBondContact O-N 3.34Å; A305-N307 VanDerWaalsContact C-N 3.3Å; A305-N307 PolarHBondContact O-N 3.06Å; N307-K310 PolarHBondContact O-N 2.85Å; N307-V311 WeakPolarHBondContact O-CG2 3.18Å; N307-V311 PolarHBondContact O-N 2.82Å; N307-V311 VanDerWaalsContact O-N 3.15Å
308S89Confident88.5Confident3 Ų346.7 Ų46.72%0.02125%0.252CS..Hα-helixtrans-65.8-40.3174.8-65.90000111.8A302 S304 A305 K310 V311 I312A302-S308 WeakPolarHBondContact CA-OG 3.1Å; A302-S308 PolarHBondContact N-OG 2.85Å; A302-S308 PolarHBondContact O-OG 3.22Å; S304-S308 PolarHBondContact O-N 2.85Å; S304-S308 PolarHBondContact O-OG 3.4Å; A305-S308 PolarHBondContact O-N 3.48Å; A305-S308 VanDerWaalsContact O-N 3.15Å; S308-K310 PolarHBondContact O-N 2.87Å; S308-V311 WeakPolarHBondContact O-CB 3.22Å; S308-V311 PolarHBondContact O-N 3.43Å; S308-V311 VanDerWaalsContact O-N 3.11Å; S308-I312 WeakPolarHBondContact O-CG1 3.41Å; S308-I312 PolarHBondContact O-N 3.34Å
309M90.7Very high88.5Confident40 Ų4050.4 Ų50.420%0.19727%0.267CS..Hα-helixtrans-57.9-47.1173-71.3-53-6700111.4E186 V190 A305 V311 I312 D313E186-M309 HydrophobicContact CB-SD 4.39Å; E186-M309 HydrophobicContact CG-CE 3.87Å; E186-M309 HydrophobicContact CG-SD 3.76Å; E186-M309 VanDerWaalsContact OE1-CE 3.32Å; E186-M309 WeakPolarHBondContact OE1-CE 3.39Å; V190-M309 HydrophobicContact CG1-CG 4.47Å; V190-M309 HydrophobicContact CG1-SD 4.35Å; A305-M309 WeakPolarHBondContact O-CG 3.33Å; A305-M309 PolarHBondContact O-N 3.15Å; M309-V311 VanDerWaalsContact C-N 3.25Å; M309-V311 PolarHBondContact O-N 3.47Å; M309-I312 PolarHBondContact O-N 3.49Å; M309-I312 HydrophobicContact SD-CD1 4.38Å; M309-D313 WeakPolarHBondContact O-CB 3.13Å; M309-D313 PolarHBondContact O-N 3.48Å
310K89.8Confident88.6Confident116 Ų11650 Ų5050%0.50427%0.265SS..Hα-helixtrans-58.4-35.5174.9-70.6175.8-1771780113.6A306 N307 S308 Y314A306-K310 WeakPolarHBondContact O-CG 3.33Å; A306-K310 PolarHBondContact O-N 2.89Å; N307-K310 PolarHBondContact O-N 2.85Å; S308-K310 PolarHBondContact O-N 2.87Å; K310-Y314 VanDerWaalsContact O-CB 3.23Å; K310-Y314 WeakPolarHBondContact O-CB 3.27Å; K310-Y314 PolarHBondContact O-N 2.86Å; K310-Y314 VanDerWaalsContact O-N 3.12Å
311V89.7Confident88.7Confident11 Ų1148.1 Ų48.17%0.06726%0.255CS..Hα-helixtrans-69.2-43.8175.1174.70000110.3I261 L301 N307 S308 M309 Y314 L315I261-V311 HydrophobicContact CD1-CG2 4.37Å; I261-V311 HydrophobicContact CG1-CG2 4.25Å; I261-V311 HydrophobicContact CG2-CG2 4.26Å; L301-V311 HydrophobicContact CD2-CB 4.42Å; L301-V311 HydrophobicContact CD2-CG1 4.21Å; N307-V311 WeakPolarHBondContact O-CG2 3.18Å; N307-V311 PolarHBondContact O-N 2.82Å; N307-V311 VanDerWaalsContact O-N 3.15Å; S308-V311 WeakPolarHBondContact O-CB 3.22Å; S308-V311 PolarHBondContact O-N 3.43Å; S308-V311 VanDerWaalsContact O-N 3.11Å; M309-V311 VanDerWaalsContact C-N 3.25Å; M309-V311 PolarHBondContact O-N 3.47Å; V311-Y314 PolarHBondContact O-N 3.46Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.36Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.42Å; V311-L315 PolarHBondContact O-N 3.38Å
312I91.4Very high88.8Confident6 Ų649.6 Ų49.63%0.03126%0.264CS..Hα-helixtrans-63.5-48.2178.6-68.2165.1000110.9F182 I185 V190 L301 S308 M309 Y314 L315 S316F182-I312 HydrophobicContact CB-CG2 4.33Å; F182-I312 HydrophobicContact CD1-CG2 3.88Å; F182-I312 HydrophobicContact CG-CG2 4.4Å; I185-I312 HydrophobicContact CG2-CD1 3.71Å; I185-I312 HydrophobicContact CG2-CG1 4.32Å; V190-I312 HydrophobicContact CG2-CD1 3.7Å; L301-I312 HydrophobicContact CD2-CD1 4.2Å; L301-I312 HydrophobicContact CD2-CG1 3.87Å; S308-I312 WeakPolarHBondContact O-CG1 3.41Å; S308-I312 PolarHBondContact O-N 3.34Å; M309-I312 PolarHBondContact O-N 3.49Å; M309-I312 HydrophobicContact SD-CD1 4.38Å; I312-Y314 VanDerWaalsContact C-N 3.29Å; I312-Y314 PolarHBondContact O-N 2.85Å; I312-L315 PolarHBondContact O-N 2.89Å; I312-L315 VanDerWaalsContact O-N 3.13Å; I312-S316 WeakPolarHBondContact O-CB 3.49Å; I312-S316 PolarHBondContact O-N 3.16Å
313D91.9Very high89Confident80 Ų8056 Ų5643%0.42830%0.296SS..Hα-helixtrans-55.5-47.5176.1-65.6-24.2000110.2M309 L315 S316 E317M309-D313 WeakPolarHBondContact O-CB 3.13Å; M309-D313 PolarHBondContact O-N 3.48Å; D313-L315 PolarHBondContact O-N 3.18Å; D313-S316 PolarHBondContact O-N 3.25Å; D313-E317 WeakPolarHBondContact O-CB 3.44Å; D313-E317 VanDerWaalsContact O-CG 3.3Å; D313-E317 WeakPolarHBondContact O-CG 3.48Å; D313-E317 PolarHBondContact O-N 3.42Å
314Y89.7Confident89.5Confident25 Ų2551.8 Ų51.810%0.09828%0.283CS..Hα-helixtrans-63.5-39.4177.6179.1-93.4000113.4I261 Y262 W265 K310 V311 I312 S316 N318I261-Y314 HydrophobicContact CG2-CD1 3.4Å; I261-Y314 VanDerWaalsContact CG2-CD1 3.4Å; I261-Y314 HydrophobicContact CG2-CD2 4.4Å; I261-Y314 HydrophobicContact CG2-CE1 3.95Å; I261-Y314 HydrophobicContact CG2-CG 3.65Å; I261-Y314 WeakPolarHBondContact O-CE1 3.28Å; Y262-Y314 HydrophobicContact CD1-CE2 4.45Å; Y262-Y314 AromaticContact CD1-CZ 3.88Å; Y262-Y314 WeakPolarHBondContact CD1-OH 3.28Å; Y262-Y314 AromaticContact CE1-CE2 3.84Å; Y262-Y314 HydrophobicContact CE1-CE2 3.84Å; Y262-Y314 AromaticContact CE1-CZ 3.7Å; Y262-Y314 WeakPolarHBondContact CE1-OH 3.47Å; Y262-Y314 HydrophobicContact CE2-CE2 4Å; Y262-Y314 AromaticContact CZ-CE2 3.59Å; Y262-Y314 AromaticContact CZ-CZ 3.85Å; W265-Y314 HydrophobicContact CH2-CD1 4.27Å; W265-Y314 AromaticContact CH2-CE1 3.42Å; W265-Y314 HydrophobicContact CH2-CE1 3.42Å; W265-Y314 VanDerWaalsContact CH2-CE1 3.42Å; W265-Y314 AromaticContact CH2-CZ 3.88Å; W265-Y314 AromaticContact CZ3-CE1 3.5Å; W265-Y314 HydrophobicContact CZ3-CE1 3.5Å; W265-Y314 VanDerWaalsContact CZ3-CE1 3.5Å; W265-Y314 AromaticContact CZ3-CZ 3.86Å; W265-Y314 WeakPolarHBondContact CZ3-OH 3.35Å; K310-Y314 VanDerWaalsContact O-CB 3.23Å; K310-Y314 WeakPolarHBondContact O-CB 3.27Å; K310-Y314 PolarHBondContact O-N 2.86Å; K310-Y314 VanDerWaalsContact O-N 3.12Å; V311-Y314 PolarHBondContact O-N 3.46Å; I312-Y314 VanDerWaalsContact C-N 3.29Å; I312-Y314 PolarHBondContact O-N 2.85Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; Y314-N318 VanDerWaalsContact CD2-ND2 3.31Å; Y314-N318 WeakPolarHBondContact CD2-ND2 3.27Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.38Å; Y314-N318 VanDerWaalsContact CZ-ND2 3.31Å; Y314-N318 WeakPolarHBondContact O-CB 3.49Å; Y314-N318 PolarHBondContact O-N 2.69Å; Y314-N318 PolarHBondContact O-ND2 2.93Å
315L91.1Very high90Very high0 Ų049.3 Ų49.30%027%0.265CS..Hα-helixtrans-68.5-35.2175.4-69.2175000111.9F182 L219 P264 V311 I312 D313 H319 W320F182-L315 HydrophobicContact CE1-CB 3.99Å; F182-L315 HydrophobicContact CZ-CB 4.06Å; L219-L315 HydrophobicContact CD1-CD1 3.92Å; P264-L315 HydrophobicContact CB-CD2 3.82Å; P264-L315 HydrophobicContact CG-CD2 3.77Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.36Å; V311-L315 VanDerWaalsContact O-CG 3.25Å; V311-L315 WeakPolarHBondContact O-CG 3.42Å; V311-L315 PolarHBondContact O-N 3.38Å; I312-L315 PolarHBondContact O-N 2.89Å; I312-L315 VanDerWaalsContact O-N 3.13Å; D313-L315 PolarHBondContact O-N 3.18Å; L315-H319 PolarHBondContact O-N 2.92Å; L315-W320 HydrophobicContact CB-CB 3.97Å; L315-W320 HydrophobicContact CB-CG 4.48Å; L315-W320 HydrophobicContact CD2-CB 3.94Å; L315-W320 HydrophobicContact CD2-CD2 4.09Å; L315-W320 HydrophobicContact CD2-CG 3.69Å; L315-W320 VanDerWaalsContact O-CB 3.28Å; L315-W320 WeakPolarHBondContact O-CB 3.16Å; L315-W320 PolarHBondContact O-N 2.71Å
316S91.4Very high90.2Very high61 Ų6148.4 Ų48.443%0.42726%0.257SS..Hα-helixtrans-70.5-49.7178.1-171.20000111.1I312 D313 Y314 N318 H319I312-S316 WeakPolarHBondContact O-CB 3.49Å; I312-S316 PolarHBondContact O-N 3.16Å; D313-S316 PolarHBondContact O-N 3.25Å; Y314-S316 VanDerWaalsContact C-N 3.34Å; S316-N318 VanDerWaalsContact C-N 3.28Å; S316-N318 PolarHBondContact O-N 2.89Å; S316-H319 PolarHBondContact O-N 3.28Å; S316-H319 VanDerWaalsContact O-N 3.13Å
317E90.9Very high90.5Very high143 Ų14345.5 Ų45.567%0.66823%0.233SC*.Hα-helixtrans-60.3-35.2178.2-74.7177.9179.500112.7D313D313-E317 WeakPolarHBondContact O-CB 3.44Å; D313-E317 VanDerWaalsContact O-CG 3.3Å; D313-E317 WeakPolarHBondContact O-CG 3.48Å; D313-E317 PolarHBondContact O-N 3.42Å
318N88.8Confident90.9Very high36 Ų3641.9 Ų41.919%0.19321%0.214CC..THydrogen-bonded Turntrans-96.724.1178.9-64.1-69.3000113.4P243 D244 W265 Y314 S316 W320P243-N318 HydrophobicContact CB-CB 4.45Å; D244-N318 VanDerWaalsContact CA-O 3.29Å; D244-N318 WeakPolarHBondContact CA-O 3.36Å; D244-N318 PolarHBondContact N-O 2.76Å; W265-N318 HydrophobicContact CH2-CB 3.64Å; W265-N318 HydrophobicContact CZ2-CB 3.58Å; Y314-N318 VanDerWaalsContact CD2-ND2 3.31Å; Y314-N318 WeakPolarHBondContact CD2-ND2 3.27Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.38Å; Y314-N318 VanDerWaalsContact CZ-ND2 3.31Å; Y314-N318 WeakPolarHBondContact O-CB 3.49Å; Y314-N318 PolarHBondContact O-N 2.69Å; Y314-N318 PolarHBondContact O-ND2 2.93Å; S316-N318 VanDerWaalsContact C-N 3.28Å; S316-N318 PolarHBondContact O-N 2.89Å; N318-W320 VanDerWaalsContact C-N 3.27Å; N318-W320 PolarHBondContact O-N 3.47Å
319H90.4Very high91.2Very high110 Ų11041.8 Ų41.851%0.50921%0.213SC..THydrogen-bonded Turntrans4347.9175.7-47.395.8000113.9D244 W245 L315 S316 L321 T322D244-H319 WeakPolarHBondContact OD1-CB 2.9Å; D244-H319 IonicContact OD1-CE1 3.87Å; D244-H319 IonicContact OD1-CG 3.76Å; D244-H319 IonicContact OD1-ND1 3.74Å; D244-H319 PolarHBondContact OD1-ND1 3.02Å; W245-H319 PolarHBondContact NE1-O 3.13Å; L315-H319 PolarHBondContact O-N 2.92Å; S316-H319 PolarHBondContact O-N 3.28Å; S316-H319 VanDerWaalsContact O-N 3.13Å; H319-L321 PolarHBondContact O-N 3.38Å; H319-T322 HydrophobicContact CB-CG2 4.2Å; H319-T322 WeakPolarHBondContact O-CG2 3.38Å
320W91.3Very high91.4Very high1 Ų139.9 Ų39.90%0.00420%0.204CC..  trans-55.6-39.6-179.6-173.470.8000111F182 L219 Q221 W245 P264 L315 N318 V328F182-W320 HydrophobicContact CZ-CE3 4.49Å; L219-W320 HydrophobicContact CB-CH2 3.82Å; L219-W320 HydrophobicContact CB-CZ3 4.36Å; Q221-W320 HydrophobicContact CB-CH2 3.56Å; Q221-W320 HydrophobicContact CB-CZ2 3.36Å; Q221-W320 HydrophobicContact CB-CZ3 4.32Å; Q221-W320 HydrophobicContact CG-CH2 4.49Å; Q221-W320 HydrophobicContact CG-CZ2 4.37Å; Q221-W320 PolarHBondContact NE2-O 2.87Å; Q221-W320 VanDerWaalsContact OE1-CD2 3.24Å; Q221-W320 VanDerWaalsContact OE1-NE1 3.12Å; Q221-W320 PolarHBondContact OE1-O 2.94Å; W245-W320 AromaticContact CZ2-CD1 3.88Å; W245-W320 HydrophobicContact CZ2-CG 4.49Å; W245-W320 VanDerWaalsContact CZ2-O 3.28Å; W245-W320 WeakPolarHBondContact CZ2-O 3.17Å; W245-W320 PolarHBondContact NE1-O 3.31Å; P264-W320 PolarHBondContact O-NE1 2.87Å; L315-W320 HydrophobicContact CB-CB 3.97Å; L315-W320 HydrophobicContact CB-CG 4.48Å; L315-W320 HydrophobicContact CD2-CB 3.94Å; L315-W320 HydrophobicContact CD2-CD2 4.09Å; L315-W320 HydrophobicContact CD2-CG 3.69Å; L315-W320 VanDerWaalsContact O-CB 3.28Å; L315-W320 WeakPolarHBondContact O-CB 3.16Å; L315-W320 PolarHBondContact O-N 2.71Å; N318-W320 VanDerWaalsContact C-N 3.27Å; N318-W320 PolarHBondContact O-N 3.47Å; W320-V328 HydrophobicContact CH2-CG1 4.26Å; W320-V328 HydrophobicContact CZ3-CG1 4.13Å
321L92.2Very high91.6Very high25 Ų2534.5 Ų34.513%0.13118%0.18CC..SBendtrans-90.6101.3174.2-61.1-177.8000111.8L178 L181 F182 H319 T325 V328L178-L321 HydrophobicContact CD1-CD1 4.25Å; L178-L321 HydrophobicContact CD1-CD2 4.41Å; L178-L321 HydrophobicContact CD2-CB 3.74Å; L178-L321 HydrophobicContact CD2-CD2 4.46Å; L178-L321 HydrophobicContact CD2-CG 4.5Å; L178-L321 HydrophobicContact CG-CB 3.91Å; L178-L321 HydrophobicContact CG-CD1 3.99Å; L178-L321 HydrophobicContact CG-CD2 4.46Å; L178-L321 HydrophobicContact CG-CG 4.33Å; L178-L321 WeakPolarHBondContact O-CD1 3.38Å; L181-L321 HydrophobicContact CB-CD1 4.28Å; L181-L321 HydrophobicContact CD2-CD1 4.08Å; F182-L321 HydrophobicContact CD2-CD1 4.07Å; F182-L321 HydrophobicContact CE1-CD1 4.31Å; F182-L321 HydrophobicContact CE2-CB 4.34Å; F182-L321 HydrophobicContact CE2-CD1 3.56Å; F182-L321 HydrophobicContact CE2-CG 3.92Å; F182-L321 HydrophobicContact CZ-CD1 3.7Å; F182-L321 HydrophobicContact CZ-CG 3.82Å; H319-L321 PolarHBondContact O-N 3.38Å; L321-T325 HydrophobicContact CD2-CG2 4.24Å; L321-V328 HydrophobicContact CD2-CG2 3.52Å
322T90Very high91.8Very high34 Ų3434 Ų3421%0.20918%0.178CC..  trans-115.1-177.317683.40000113.9R223 W245 H319 N324 T325R223-T322 PolarHBondContact NH1-OG1 3.42Å; R223-T322 PolarHBondContact NH2-OG1 2.81Å; W245-T322 HydrophobicContact CG-CG2 4.38Å; H319-T322 HydrophobicContact CB-CG2 4.2Å; H319-T322 WeakPolarHBondContact O-CG2 3.38Å; T322-N324 PolarHBondContact O-N 3.31Å; T322-N324 PolarHBondContact OG1-N 3.44Å; T322-T325 PolarHBondContact N-OG1 2.92Å; T322-T325 VanDerWaalsContact O-CB 3.24Å; T322-T325 WeakPolarHBondContact O-CB 3.32Å; T322-T325 PolarHBondContact O-N 2.99Å; T322-T325 PolarHBondContact O-OG1 2.95Å
323L87.9Confident91.8Very high146 Ų14633.9 Ų33.976%0.76418%0.177SC*.THydrogen-bonded Turntrans-52.5-35.9176.1-69.8174.6000114.4T325 K351L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 3.38Å; L323-K351 PolarHBondContact O-NZ 2.97Å; L323-K351 VanDerWaalsContact O-NZ 3.15Å
324N89.9Confident91.8Very high34 Ų3430.1 Ų30.118%0.18216%0.157CC..THydrogen-bonded Turntrans-80.5-3.5-178-65.614.3000113.6R223 V224 T322 S326R223-N324 WeakPolarHBondContact CA-O 3.26Å; R223-N324 HydrophobicContact CG-CB 3.75Å; V224-N324 PolarHBondContact N-O 3.34Å; T322-N324 PolarHBondContact O-N 3.31Å; T322-N324 PolarHBondContact OG1-N 3.44Å; N324-S326 PolarHBondContact O-N 3.27Å
325T92.2Very high91.9Very high3 Ų331 Ų312%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-68122174.1-48.90000109L178 Q221 L321 T322 L323 V328L178-T325 HydrophobicContact CD2-CG2 4.25Å; Q221-T325 HydrophobicContact CG-CG2 3.65Å; Q221-T325 PolarHBondContact NE2-OG1 3.38Å; L321-T325 HydrophobicContact CD2-CG2 4.24Å; T322-T325 PolarHBondContact N-OG1 2.92Å; T322-T325 VanDerWaalsContact O-CB 3.24Å; T322-T325 WeakPolarHBondContact O-CB 3.32Å; T322-T325 PolarHBondContact O-N 2.99Å; T322-T325 PolarHBondContact O-OG1 2.95Å; L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 3.38Å; T325-V328 HydrophobicContact CG2-CG2 3.74Å
326S91.9Very high91.8Very high6 Ų631.4 Ų31.44%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-101.7-35176.7-177.40000112.9L222 Y291 N324 K351L222-S326 PolarHBondContact O-N 3.07Å; Y291-S326 WeakPolarHBondContact CE1-OG 3.22Å; Y291-S326 PolarHBondContact OH-O 2.84Å; Y291-S326 PolarHBondContact OH-OG 3.45Å; N324-S326 PolarHBondContact O-N 3.27Å; S326-K351 PolarHBondContact O-N 3.4Å
327A94.2Very high91.5Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-149.7144.6174.300000111.2L222 Y291 F329 V349L222-A327 HydrophobicContact CD1-CB 4.47Å; L222-A327 PolarHBondContact N-O 3.06Å; L222-A327 PolarHBondContact O-N 3.39Å; Y291-A327 HydrophobicContact CD1-CB 3.78Å; Y291-A327 HydrophobicContact CD2-CB 4.31Å; Y291-A327 HydrophobicContact CE1-CB 3.53Å; Y291-A327 HydrophobicContact CE2-CB 4.09Å; Y291-A327 HydrophobicContact CG-CB 4.16Å; A327-F329 HydrophobicContact CB-CD2 4.34Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.43Å; A327-V349 WeakPolarHBondContact CA-O 3.49Å
328V95Very high91.2Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-117.8131.1169.9-174.50000107.9L178 L181 R220 W320 L321 T325 R348 V349L178-V328 HydrophobicContact CD1-CG2 4.28Å; L181-V328 HydrophobicContact CD2-CB 3.84Å; L181-V328 HydrophobicContact CD2-CG1 3.8Å; L181-V328 HydrophobicContact CD2-CG2 3.99Å; R220-V328 CarbonylContact O-C 3.52Å; R220-V328 WeakPolarHBondContact O-CA 3.25Å; W320-V328 HydrophobicContact CH2-CG1 4.26Å; W320-V328 HydrophobicContact CZ3-CG1 4.13Å; L321-V328 HydrophobicContact CD2-CG2 3.52Å; T325-V328 HydrophobicContact CG2-CG2 3.74Å; V328-R348 WeakPolarHBondContact O-CA 3.41Å; V328-V349 PolarHBondContact N-O 3.29Å; V328-V349 PolarHBondContact O-N 2.69Å
329F95.1Very high91.1Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-113.7134.5176.4-67.7-97.7000108.8L219 R220 L222 H284 Y291 A327 T346 L347 R348L219-F329 CarbonylContact C-O 3.55Å; L219-F329 WeakPolarHBondContact CA-O 3.4Å; R220-F329 HydrophobicContact CB-CB 4.23Å; R220-F329 PolarHBondContact N-O 3.28Å; R220-F329 VanDerWaalsContact NH2-CG 3.27Å; R220-F329 PolarHBondContact O-N 3.34Å; L222-F329 HydrophobicContact CD1-CD2 3.66Å; L222-F329 HydrophobicContact CD1-CE2 3.26Å; L222-F329 HydrophobicContact CD1-CZ 4.32Å; H284-F329 HydrophobicContact CB-CE1 3.9Å; H284-F329 HydrophobicContact CB-CZ 3.96Å; H284-F329 AromaticContact CD2-CE1 3.76Å; H284-F329 AromaticContact CG-CE1 3.66Å; Y291-F329 HydrophobicContact CD2-CZ 4.31Å; Y291-F329 HydrophobicContact CG-CE2 4.26Å; Y291-F329 HydrophobicContact CG-CZ 4.15Å; A327-F329 HydrophobicContact CB-CD2 4.34Å; A327-F329 HydrophobicContact CB-CE2 3.68Å; A327-F329 HydrophobicContact CB-CZ 4.43Å; F329-T346 HydrophobicContact CD1-CG2 3.83Å; F329-T346 HydrophobicContact CE1-CG2 4.48Å; F329-L347 CarbonylContact C-O 3.52Å; F329-L347 VanDerWaalsContact CA-O 3.27Å; F329-L347 WeakPolarHBondContact CA-O 3.2Å; F329-R348 HydrophobicContact CD1-CB 4.1Å; F329-R348 HydrophobicContact CD1-CG 4.07Å; F329-R348 HydrophobicContact CE1-CB 4.05Å; F329-R348 HydrophobicContact CE1-CG 3.64Å; F329-R348 HydrophobicContact CE2-CG 4.43Å; F329-R348 HydrophobicContact CZ-CG 3.83Å
330I95Very high90.9Very high1 Ų126.9 Ų26.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-116.7107.2173.7-50.7177.7000106.1L181 F184 I185 L189 R218 L219 F332 T346 L347L181-I330 HydrophobicContact CD1-CD1 4.27Å; F184-I330 HydrophobicContact CD1-CD1 4.47Å; F184-I330 HydrophobicContact CE1-CD1 4.28Å; I185-I330 HydrophobicContact CD1-CD1 4.13Å; I185-I330 HydrophobicContact CG1-CD1 3.82Å; L189-I330 HydrophobicContact CD1-CD1 3.87Å; L189-I330 HydrophobicContact CD1-CG2 3.63Å; R218-I330 WeakPolarHBondContact O-CA 3.28Å; L219-I330 HydrophobicContact CD2-CB 4.29Å; L219-I330 HydrophobicContact CD2-CD1 4.29Å; L219-I330 HydrophobicContact CD2-CG1 3.78Å; L219-I330 HydrophobicContact CD2-CG2 3.95Å; I330-F332 HydrophobicContact CG2-CD1 4.01Å; I330-F332 HydrophobicContact CG2-CE1 4.11Å; I330-T346 WeakPolarHBondContact O-CA 3.44Å; I330-L347 HydrophobicContact CB-CB 4.1Å; I330-L347 HydrophobicContact CB-CD1 4.44Å; I330-L347 HydrophobicContact CB-CG 4.43Å; I330-L347 PolarHBondContact N-O 2.79Å; I330-L347 PolarHBondContact O-N 2.98Å
331D93.8Very high90.9Very high2 Ų226.9 Ų26.91%0.01115%0.146CC..EExtended strand (participates in β ladder)trans-108.7128.9-176.7-62.3-49.3000110.1R218 R220 C345 T346 F452 R456R218-D331 HydrophobicContact CB-CB 4.39Å; R218-D331 IonicContact CZ-OD2 3.47Å; R218-D331 PolarHBondContact N-O 2.99Å; R218-D331 IonicContact NE-OD2 3.36Å; R218-D331 PolarHBondContact NE-OD2 2.92Å; R218-D331 IonicContact NH2-OD2 2.73Å; R218-D331 PolarHBondContact NH2-OD2 2.91Å; R218-D331 PolarHBondContact O-N 3.17Å; R220-D331 IonicContact NE-OD2 3.06Å; D331-C345 WeakPolarHBondContact CA-O 3.32Å; D331-T346 WeakPolarHBondContact OD1-CB 3.39Å; D331-T346 WeakPolarHBondContact OD1-CG2 3.42Å; D331-T346 PolarHBondContact OD1-OG1 2.92Å; D331-F452 HydrophobicContact CB-CE2 4.28Å; D331-F452 HydrophobicContact CB-CZ 4.01Å; D331-F452 WeakPolarHBondContact O-CE2 3.3Å; D331-R456 IonicContact OD2-NH1 3.81Å
332F93.1Very high90.9Very high2 Ų226 Ų261%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-159.1166.3173.558.8-84.5000111.4F162 L189 F193 L213 M217 I330 L334 C345 L347F162-F332 HydrophobicContact CE1-CZ 4.01Å; F162-F332 HydrophobicContact CE2-CE2 4.07Å; F162-F332 AromaticContact CE2-CZ 3.74Å; F162-F332 HydrophobicContact CE2-CZ 3.74Å; F162-F332 AromaticContact CZ-CE2 3.77Å; F162-F332 HydrophobicContact CZ-CE2 3.77Å; F162-F332 AromaticContact CZ-CZ 3.42Å; F162-F332 HydrophobicContact CZ-CZ 3.42Å; F162-F332 VanDerWaalsContact CZ-CZ 3.42Å; L189-F332 HydrophobicContact CD2-CE1 3.88Å; L189-F332 HydrophobicContact CD2-CZ 3.91Å; F193-F332 HydrophobicContact CZ-CE2 4.38Å; L213-F332 HydrophobicContact CD1-CB 3.92Å; L213-F332 HydrophobicContact CD1-CD2 3.93Å; L213-F332 HydrophobicContact CD1-CG 4.26Å; M217-F332 HydrophobicContact CB-CB 4.21Å; M217-F332 HydrophobicContact CG-CB 3.77Å; M217-F332 HydrophobicContact CG-CD1 4.31Å; M217-F332 HydrophobicContact CG-CG 4.09Å; I330-F332 HydrophobicContact CG2-CD1 4.01Å; I330-F332 HydrophobicContact CG2-CE1 4.11Å; F332-L334 HydrophobicContact CD2-CD2 3.83Å; F332-L334 HydrophobicContact CD2-CG 4.03Å; F332-L334 HydrophobicContact CE2-CD1 4.09Å; F332-L334 HydrophobicContact CE2-CD2 3.89Å; F332-L334 HydrophobicContact CE2-CG 3.89Å; F332-C345 HydrophobicContact CD1-CB 4.31Å; F332-C345 HydrophobicContact CD2-CB 4.06Å; F332-C345 HydrophobicContact CE1-CB 3.9Å; F332-C345 HydrophobicContact CE2-CB 3.61Å; F332-C345 HydrophobicContact CG-CB 4.38Å; F332-C345 HydrophobicContact CZ-CB 3.52Å; F332-C345 PolarHBondContact N-O 3.08Å; F332-C345 PolarHBondContact O-N 3.29Å; F332-L347 HydrophobicContact CE1-CD1 3.98Å; F332-L347 HydrophobicContact CE1-CG 4.13Å; F332-L347 HydrophobicContact CZ-CD1 4.4Å
333T92.5Very high91Very high3 Ų324.5 Ų24.52%0.01813%0.132CC..EExtended strand (participates in β ladder)trans-123129.3-179.547.80000111.3L214 I344 F455L214-T333 WeakPolarHBondContact CB-OG1 3.44Å; L214-T333 PolarHBondContact N-O 2.92Å; L214-T333 PolarHBondContact O-OG1 2.97Å; T333-I344 HydrophobicContact CG2-CB 4.29Å; T333-I344 HydrophobicContact CG2-CG1 3.55Å; T333-I344 HydrophobicContact CG2-CG2 4.41Å; T333-F455 HydrophobicContact CG2-CB 3.79Å; T333-F455 HydrophobicContact CG2-CD2 3.68Å; T333-F455 HydrophobicContact CG2-CG 4.16Å
334L92.1Very high91.3Very high0 Ų017.8 Ų17.80%010%0.097CC..EExtended strand (participates in β ladder)trans-102.7146.9172-55.1-179000109.4I158 F162 F193 W205 V212 L213 F332 F342 S343I158-L334 HydrophobicContact CG2-CD1 4.43Å; F162-L334 HydrophobicContact CE2-CD1 4.42Å; F193-L334 HydrophobicContact CE1-CD2 3.45Å; F193-L334 VanDerWaalsContact CE1-CD2 3.45Å; F193-L334 HydrophobicContact CZ-CD1 4.4Å; F193-L334 HydrophobicContact CZ-CD2 3.64Å; W205-L334 HydrophobicContact CE3-CD1 4.24Å; W205-L334 HydrophobicContact CZ3-CD1 4.19Å; V212-L334 CarbonylContact O-C 3.38Å; V212-L334 WeakPolarHBondContact O-CA 3.28Å; L213-L334 HydrophobicContact CB-CD2 4.43Å; L213-L334 HydrophobicContact CD1-CD2 4.05Å; F332-L334 HydrophobicContact CD2-CD2 3.83Å; F332-L334 HydrophobicContact CD2-CG 4.03Å; F332-L334 HydrophobicContact CE2-CD1 4.09Å; F332-L334 HydrophobicContact CE2-CD2 3.89Å; F332-L334 HydrophobicContact CE2-CG 3.89Å; L334-F342 CarbonylContact O-C 3.59Å; L334-F342 WeakPolarHBondContact O-CA 3.28Å; L334-S343 PolarHBondContact N-O 3.3Å; L334-S343 PolarHBondContact O-N 3.3Å
335Y90.5Very high91.6Very high43 Ų4316.2 Ų16.217%0.1699%0.089CC..EExtended strand (participates in β ladder)trans-127.3120.7173.5178.9-112.2000110.1S211 V212 L214 V337 N340 L341 F342S211-Y335 WeakPolarHBondContact CA-O 3.37Å; V212-Y335 PolarHBondContact N-O 2.85Å; V212-Y335 PolarHBondContact O-N 2.94Å; L214-Y335 HydrophobicContact CD1-CG 4.22Å; Y335-V337 HydrophobicContact CD1-CG2 3.93Å; Y335-V337 HydrophobicContact CE1-CB 4.29Å; Y335-V337 HydrophobicContact CE1-CG2 3.84Å; Y335-N340 VanDerWaalsContact CE2-OD1 3.29Å; Y335-N340 WeakPolarHBondContact CE2-OD1 3.35Å; Y335-N340 PolarHBondContact OH-OD1 3.08Å; Y335-L341 WeakPolarHBondContact CA-O 3.47Å; Y335-L341 WeakPolarHBondContact CD2-O 3.28Å; Y335-F342 AromaticContact CD2-CD1 3.93Å; Y335-F342 HydrophobicContact CD2-CD1 3.93Å; Y335-F342 AromaticContact CD2-CD2 3.78Å; Y335-F342 HydrophobicContact CD2-CD2 3.78Å; Y335-F342 AromaticContact CD2-CE1 3.74Å; Y335-F342 HydrophobicContact CD2-CE1 3.74Å; Y335-F342 AromaticContact CD2-CE2 3.58Å; Y335-F342 HydrophobicContact CD2-CE2 3.58Å; Y335-F342 AromaticContact CD2-CG 3.94Å; Y335-F342 HydrophobicContact CD2-CG 3.94Å; Y335-F342 AromaticContact CD2-CZ 3.55Å; Y335-F342 HydrophobicContact CD2-CZ 3.55Å; Y335-F342 AromaticContact CE2-CD2 3.9Å; Y335-F342 HydrophobicContact CE2-CD2 3.9Å; Y335-F342 HydrophobicContact CE2-CE1 4.25Å; Y335-F342 AromaticContact CE2-CE2 3.38Å; Y335-F342 HydrophobicContact CE2-CE2 3.38Å; Y335-F342 AromaticContact CE2-CZ 3.57Å; Y335-F342 HydrophobicContact CE2-CZ 3.57Å; Y335-F342 HydrophobicContact CG-CE1 4.41Å; Y335-F342 HydrophobicContact CG-CZ 4.47Å
336N90.3Very high91.7Very high10 Ų1016.5 Ų16.55%0.0539%0.09CC..EExtended strand (participates in β ladder)trans-92.2114.5171.8-174.9-32.3000108.8Q210 D338 N340 L341Q210-N336 WeakPolarHBondContact O-CA 3.33Å; N336-D338 PolarHBondContact OD1-N 3.2Å; N336-N340 VanDerWaalsContact O-CA 3.3Å; N336-N340 WeakPolarHBondContact O-CA 3.4Å; N336-N340 PolarHBondContact O-N 3.24Å; N336-L341 HydrophobicContact CB-CB 4.38Å; N336-L341 PolarHBondContact N-O 3.32Å; N336-L341 PolarHBondContact O-N 3.03Å; N336-L341 VanDerWaalsContact O-N 3.15Å
337V84.3Confident91.9Very high86 Ų8616.2 Ų16.252%0.5219%0.088SC..THydrogen-bonded Turntrans-68.9-38.1-174.9-1770000111.6Q210 Y335 V339Q210-V337 PolarHBondContact O-N 3.37Å; Y335-V337 HydrophobicContact CD1-CG2 3.93Å; Y335-V337 HydrophobicContact CE1-CB 4.29Å; Y335-V337 HydrophobicContact CE1-CG2 3.84Å; V337-V339 VanDerWaalsContact C-N 3.34Å; V337-V339 PolarHBondContact O-N 3.15Å
338D85.2Confident91.9Very high110 Ų11016.9 Ų16.959%0.5889%0.091SC*.THydrogen-bonded Turntrans-68.2-34.9-172.1-66.7-20.1000112.4Q210 N336Q210-D338 VanDerWaalsContact CG-OD2 3.29Å; Q210-D338 WeakPolarHBondContact CG-OD2 3.25Å; Q210-D338 PolarHBondContact NE2-OD2 3.46Å; N336-D338 PolarHBondContact OD1-N 3.2Å
339V85.3Confident91.9Very high47 Ų4717 Ų1729%0.2859%0.092SC..THydrogen-bonded Turntrans-109.1-4.1-177.2-163.30000112.3T150 V337 L341T150-V339 HydrophobicContact CG2-CG1 4.4Å; V337-V339 VanDerWaalsContact C-N 3.34Å; V337-V339 PolarHBondContact O-N 3.15Å; V339-L341 HydrophobicContact CB-CD1 3.84Å; V339-L341 HydrophobicContact CB-CG 4.05Å; V339-L341 HydrophobicContact CG1-CD1 3.57Å; V339-L341 HydrophobicContact CG1-CG 3.89Å
340N87.7Confident91.8Very high11 Ų1117 Ų176%0.0599%0.092CC..THydrogen-bonded Turntrans53.351.6-174.1-173.58.1000111.9Y335 N336 L369 Q374Y335-N340 VanDerWaalsContact CE2-OD1 3.29Å; Y335-N340 WeakPolarHBondContact CE2-OD1 3.35Å; Y335-N340 PolarHBondContact OH-OD1 3.08Å; N336-N340 VanDerWaalsContact O-CA 3.3Å; N336-N340 WeakPolarHBondContact O-CA 3.4Å; N336-N340 PolarHBondContact O-N 3.24Å; N340-L369 PolarHBondContact ND2-O 3.35Å; N340-Q374 PolarHBondContact ND2-NE2 2.93Å; N340-Q374 PolarHBondContact ND2-OE1 3.45Å
341L90Very high91.7Very high1 Ų118.4 Ų18.41%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-110.8130.1-178.8-77.1171000110.6L151 N154 Y335 N336 V339 K367L151-L341 HydrophobicContact CD1-CD2 3.96Å; L151-L341 HydrophobicContact CD2-CD2 4.5Å; L151-L341 HydrophobicContact CG-CD2 3.72Å; N154-L341 HydrophobicContact CB-CD1 4.06Å; Y335-L341 WeakPolarHBondContact CA-O 3.47Å; Y335-L341 WeakPolarHBondContact CD2-O 3.28Å; N336-L341 HydrophobicContact CB-CB 4.38Å; N336-L341 PolarHBondContact N-O 3.32Å; N336-L341 PolarHBondContact O-N 3.03Å; N336-L341 VanDerWaalsContact O-N 3.15Å; V339-L341 HydrophobicContact CB-CD1 3.84Å; V339-L341 HydrophobicContact CB-CG 4.05Å; V339-L341 HydrophobicContact CG1-CD1 3.57Å; V339-L341 HydrophobicContact CG1-CG 3.89Å; L341-K367 HydrophobicContact CD2-CB 4.46Å; L341-K367 HydrophobicContact CD2-CD 4.28Å; L341-K367 HydrophobicContact CD2-CG 3.33Å; L341-K367 HydrophobicContact CG-CG 4.24Å
342F92.1Very high91.4Very high7 Ų719.4 Ų19.43%0.03110%0.104CC..EExtended strand (participates in β ladder)trans-98.4122.3169.9-66.7-103.8000108.2L214 L334 Y335 S365 A366 L368 L369 M441 F455L214-F342 HydrophobicContact CD1-CD1 3.63Å; L214-F342 HydrophobicContact CD1-CE1 3.43Å; L214-F342 VanDerWaalsContact CD1-CE1 3.43Å; L334-F342 CarbonylContact O-C 3.59Å; L334-F342 WeakPolarHBondContact O-CA 3.28Å; Y335-F342 AromaticContact CD2-CD1 3.93Å; Y335-F342 HydrophobicContact CD2-CD1 3.93Å; Y335-F342 AromaticContact CD2-CD2 3.78Å; Y335-F342 HydrophobicContact CD2-CD2 3.78Å; Y335-F342 AromaticContact CD2-CE1 3.74Å; Y335-F342 HydrophobicContact CD2-CE1 3.74Å; Y335-F342 AromaticContact CD2-CE2 3.58Å; Y335-F342 HydrophobicContact CD2-CE2 3.58Å; Y335-F342 AromaticContact CD2-CG 3.94Å; Y335-F342 HydrophobicContact CD2-CG 3.94Å; Y335-F342 AromaticContact CD2-CZ 3.55Å; Y335-F342 HydrophobicContact CD2-CZ 3.55Å; Y335-F342 AromaticContact CE2-CD2 3.9Å; Y335-F342 HydrophobicContact CE2-CD2 3.9Å; Y335-F342 HydrophobicContact CE2-CE1 4.25Å; Y335-F342 AromaticContact CE2-CE2 3.38Å; Y335-F342 HydrophobicContact CE2-CE2 3.38Å; Y335-F342 AromaticContact CE2-CZ 3.57Å; Y335-F342 HydrophobicContact CE2-CZ 3.57Å; Y335-F342 HydrophobicContact CG-CE1 4.41Å; Y335-F342 HydrophobicContact CG-CZ 4.47Å; F342-S365 CarbonylContact O-C 3.11Å; F342-S365 VanDerWaalsContact O-CA 3.27Å; F342-S365 WeakPolarHBondContact O-CA 3.32Å; F342-A366 WeakPolarHBondContact CB-O 3.35Å; F342-A366 PolarHBondContact N-O 2.96Å; F342-A366 PolarHBondContact O-N 3.06Å; F342-L368 HydrophobicContact CB-CD1 3.91Å; F342-L368 HydrophobicContact CB-CG 4.13Å; F342-L368 HydrophobicContact CD1-CD1 4.18Å; F342-L368 HydrophobicContact CD2-CB 3.69Å; F342-L368 HydrophobicContact CD2-CD1 4.21Å; F342-L368 HydrophobicContact CD2-CG 4.02Å; F342-L368 HydrophobicContact CE2-CB 3.96Å; F342-L368 HydrophobicContact CG-CB 4.2Å; F342-L368 HydrophobicContact CG-CD1 3.84Å; F342-L368 HydrophobicContact CG-CG 4.09Å; F342-L369 HydrophobicContact CE2-CB 4.07Å; F342-M441 HydrophobicContact CE1-CE 3.84Å; F342-M441 HydrophobicContact CE2-CE 4.29Å; F342-M441 HydrophobicContact CZ-CE 3.53Å; F342-F455 HydrophobicContact CD1-CE1 4.47Å; F342-F455 HydrophobicContact CE1-CE1 4.24Å; F342-F455 HydrophobicContact CE1-CZ 4.32Å
343S93.9Very high91Very high2 Ų222.5 Ų22.51%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-110.9108.2175.3-65.10000109.6N154 I158 L334 S365N154-S343 PolarHBondContact ND2-OG 2.92Å; I158-S343 VanDerWaalsContact CD1-OG 3.22Å; I158-S343 WeakPolarHBondContact CD1-OG 3.49Å; L334-S343 PolarHBondContact N-O 3.3Å; L334-S343 PolarHBondContact O-N 3.3Å; S343-S365 PolarHBondContact OG-OG 3.47Å
344I94.1Very high90.6Very high6 Ų631 Ų313%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-89.6115.6177.8-66144.7000107.7T333 V363 D364 F455 R456T333-I344 HydrophobicContact CG2-CB 4.29Å; T333-I344 HydrophobicContact CG2-CG1 3.55Å; T333-I344 HydrophobicContact CG2-CG2 4.41Å; I344-V363 WeakPolarHBondContact O-CA 3.29Å; I344-D364 PolarHBondContact N-O 3.36Å; I344-D364 PolarHBondContact O-N 3.23Å; I344-F455 HydrophobicContact CD1-CB 3.92Å; I344-F455 WeakPolarHBondContact CD1-O 3.3Å; I344-F455 HydrophobicContact CG1-CB 4Å; I344-R456 HydrophobicContact CG2-CG 3.69Å
345C95.1Very high90.3Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-105.3125.6-176.5-56.10000108.7D331 F332D331-C345 WeakPolarHBondContact CA-O 3.32Å; F332-C345 HydrophobicContact CD1-CB 4.31Å; F332-C345 HydrophobicContact CD2-CB 4.06Å; F332-C345 HydrophobicContact CE1-CB 3.9Å; F332-C345 HydrophobicContact CE2-CB 3.61Å; F332-C345 HydrophobicContact CG-CB 4.38Å; F332-C345 HydrophobicContact CZ-CB 3.52Å; F332-C345 PolarHBondContact N-O 3.08Å; F332-C345 PolarHBondContact O-N 3.29Å
346T94.4Very high90.2Very high9 Ų932.8 Ų32.86%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-123.498.2170.4-700000107.4F329 I330 D331 Q362F329-T346 HydrophobicContact CD1-CG2 3.83Å; F329-T346 HydrophobicContact CE1-CG2 4.48Å; I330-T346 WeakPolarHBondContact O-CA 3.44Å; D331-T346 WeakPolarHBondContact OD1-CB 3.39Å; D331-T346 WeakPolarHBondContact OD1-CG2 3.42Å; D331-T346 PolarHBondContact OD1-OG1 2.92Å; T346-Q362 PolarHBondContact N-O 3.03Å; T346-Q362 PolarHBondContact O-N 2.71Å
347L95.4Very high90.3Very high0 Ų033.6 Ų33.60%020%0.197CC..EExtended strand (participates in β ladder)trans-86.6134.7173.5-42.7179.4000108.3F162 L172 F184 L189 F329 I330 F332 V361F162-L347 HydrophobicContact CB-CD2 4.02Å; F162-L347 HydrophobicContact CD1-CD1 4.25Å; F162-L347 HydrophobicContact CD2-CD2 4.18Å; F162-L347 HydrophobicContact CG-CD1 4.44Å; F162-L347 HydrophobicContact CG-CD2 4.05Å; L172-L347 HydrophobicContact CD2-CB 4.21Å; F184-L347 HydrophobicContact CE1-CD1 3.89Å; F184-L347 HydrophobicContact CZ-CD1 3.98Å; L189-L347 HydrophobicContact CD2-CD1 4.4Å; F329-L347 CarbonylContact C-O 3.52Å; F329-L347 VanDerWaalsContact CA-O 3.27Å; F329-L347 WeakPolarHBondContact CA-O 3.2Å; I330-L347 HydrophobicContact CB-CB 4.1Å; I330-L347 HydrophobicContact CB-CD1 4.44Å; I330-L347 HydrophobicContact CB-CG 4.43Å; I330-L347 PolarHBondContact N-O 2.79Å; I330-L347 PolarHBondContact O-N 2.98Å; F332-L347 HydrophobicContact CE1-CD1 3.98Å; F332-L347 HydrophobicContact CE1-CG 4.13Å; F332-L347 HydrophobicContact CZ-CD1 4.4Å; L347-V361 HydrophobicContact CD2-CB 4.21Å; L347-V361 HydrophobicContact CD2-CG1 3.66Å; L347-V361 HydrophobicContact CD2-CG2 3.94Å
348R94.6Very high90.7Very high15 Ų1531.7 Ų31.76%0.05719%0.185CC..EExtended strand (participates in β ladder)trans-127.9129.5-175.7-179176.969.792.20.2109.8V328 F329 E350 P359 D360V328-R348 WeakPolarHBondContact O-CA 3.41Å; F329-R348 HydrophobicContact CD1-CB 4.1Å; F329-R348 HydrophobicContact CD1-CG 4.07Å; F329-R348 HydrophobicContact CE1-CB 4.05Å; F329-R348 HydrophobicContact CE1-CG 3.64Å; F329-R348 HydrophobicContact CE2-CG 4.43Å; F329-R348 HydrophobicContact CZ-CG 3.83Å; R348-E350 IonicContact CZ-OE2 3.68Å; R348-E350 IonicContact NH1-OE2 3.46Å; R348-E350 PolarHBondContact NH1-OE2 3Å; R348-P359 CarbonylContact O-C 3.55Å; R348-P359 WeakPolarHBondContact O-CA 3.46Å; R348-D360 HydrophobicContact CB-CB 4.32Å; R348-D360 IonicContact CZ-OD2 2.7Å; R348-D360 PolarHBondContact N-O 3.49Å; R348-D360 IonicContact NE-OD2 2.79Å; R348-D360 PolarHBondContact NE-OD2 3.27Å; R348-D360 IonicContact NH2-OD2 3.9Å; R348-D360 PolarHBondContact NH2-OD2 2.92Å; R348-D360 PolarHBondContact O-N 3.02Å
349V95.4Very high91.1Very high2 Ų227.8 Ų27.81%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-119.8101.3174-178.20000107.3L172 V175 L181 A327 V328 I357L172-V349 HydrophobicContact CD1-CG2 3.68Å; L172-V349 HydrophobicContact CD2-CG2 4.18Å; L172-V349 HydrophobicContact CG-CG2 4.14Å; V175-V349 HydrophobicContact CG1-CG1 4.49Å; L181-V349 HydrophobicContact CD1-CG2 3.79Å; L181-V349 HydrophobicContact CD2-CB 4.38Å; L181-V349 HydrophobicContact CD2-CG2 4.43Å; A327-V349 WeakPolarHBondContact CA-O 3.49Å; V328-V349 PolarHBondContact N-O 3.29Å; V328-V349 PolarHBondContact O-N 2.69Å; V349-I357 HydrophobicContact CG1-CG2 3.38Å
350E93.8Very high91.5Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-89.1123.5178.3168.7172.9-172.300109.7G286 S287 L288 Y291 R348 I357 V358G286-E350 WeakPolarHBondContact CA-OE2 3.35Å; S287-E350 PolarHBondContact N-OE2 3.26Å; L288-E350 WeakPolarHBondContact CB-OE1 3.44Å; L288-E350 PolarHBondContact N-OE1 3.4Å; Y291-E350 HydrophobicContact CE2-CG 4.23Å; Y291-E350 WeakPolarHBondContact OH-CG 3.4Å; Y291-E350 PolarHBondContact OH-OE1 3.01Å; R348-E350 IonicContact CZ-OE2 3.68Å; R348-E350 IonicContact NH1-OE2 3.46Å; R348-E350 PolarHBondContact NH1-OE2 3Å; E350-I357 CarbonylContact O-C 3.57Å; E350-I357 WeakPolarHBondContact O-CA 3.41Å; E350-V358 HydrophobicContact CB-CB 4.31Å; E350-V358 PolarHBondContact N-O 3.33Å; E350-V358 PolarHBondContact O-N 2.88Å
351K92.2Very high91.8Very high31 Ų3129 Ų2914%0.13517%0.171CC..EExtended strand (participates in β ladder)trans-96.2115.3168.1-176-178.2174.1-162.90109L178 L323 S326L178-K351 HydrophobicContact CD2-CD 4.29Å; L323-K351 PolarHBondContact O-NZ 2.97Å; L323-K351 VanDerWaalsContact O-NZ 3.15Å; S326-K351 PolarHBondContact O-N 3.4Å
352T88.2Confident92Very high23 Ų2332.5 Ų32.514%0.14119%0.188CC..  trans-68.6152.9174.464.50000110.7F354 G355 G356 V358T352-F354 PolarHBondContact O-N 3.44Å; T352-G355 PolarHBondContact O-N 3.42Å; T352-G356 WeakPolarHBondContact CB-O 3.37Å; T352-G356 PolarHBondContact N-O 3.48Å; T352-G356 WeakPolarHBondContact OG1-CA 3.5Å; T352-G356 PolarHBondContact OG1-N 3.39Å; T352-G356 PolarHBondContact OG1-O 3.35Å; T352-V358 HydrophobicContact CG2-CG2 4.14Å
353P83.9Confident92.1Very high67 Ų6732.5 Ų32.544%0.43519%0.188SC..THydrogen-bonded Turntrans-57.6-21.6174.1-23.933.8000113.7V229 L288 G355V229-P353 HydrophobicContact CG2-CB 3.68Å; V229-P353 HydrophobicContact CG2-CG 4.43Å; L288-P353 HydrophobicContact CD2-CG 3.7Å; P353-G355 VanDerWaalsContact C-N 3.3Å
354F83.8Confident92.1Very high181 Ų18134.3 Ų34.379%0.79420%0.197SC*.THydrogen-bonded Turntrans-84.60177.1-50.2-66.8000113.5T352T352-F354 PolarHBondContact O-N 3.44Å
355G85.4Confident92Very high43 Ų4334.7 Ų34.744%0.44320%0.201SC..SBendtrans92.3-10.8177.300000115.3T352 P353T352-G355 PolarHBondContact O-N 3.42Å; P353-G355 VanDerWaalsContact C-N 3.3Å
356G89.1Confident91.8Very high37 Ų3734.7 Ų34.738%0.38120%0.201SC..  trans-71.3146.6175.300000112.5T352T352-G356 WeakPolarHBondContact CB-O 3.37Å; T352-G356 PolarHBondContact N-O 3.48Å; T352-G356 WeakPolarHBondContact OG1-CA 3.5Å; T352-G356 PolarHBondContact OG1-N 3.39Å; T352-G356 PolarHBondContact OG1-O 3.35Å
357I92Very high91.5Very high28 Ų2836.1 Ų36.114%0.14421%0.206CC..EExtended strand (participates in β ladder)trans-106.2135.2178.4-61.8-171000110.3V175 Y176 F177 L178 V349 E350V175-I357 WeakPolarHBondContact O-CG2 3.35Å; Y176-I357 VanDerWaalsContact O-CD1 3.31Å; Y176-I357 WeakPolarHBondContact O-CD1 3.43Å; Y176-I357 WeakPolarHBondContact O-CG1 3.42Å; F177-I357 VanDerWaalsContact CA-CD1 3.48Å; L178-I357 HydrophobicContact CB-CD1 4.03Å; V349-I357 HydrophobicContact CG1-CG2 3.38Å; E350-I357 CarbonylContact O-C 3.57Å; E350-I357 WeakPolarHBondContact O-CA 3.41Å
358V92.6Very high91.1Very high46 Ų4636.1 Ų36.128%0.27921%0.206SC..EExtended strand (participates in β ladder)trans-121.6103.1177.4-175.60000108.1E350 T352E350-V358 HydrophobicContact CB-CB 4.31Å; E350-V358 PolarHBondContact N-O 3.33Å; E350-V358 PolarHBondContact O-N 2.88Å; T352-V358 HydrophobicContact CG2-CG2 4.14Å
359P93.6Very high90.5Very high28 Ų2837.8 Ų37.818%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-79.4146173.831.6-32.2000110.9L172 R348L172-P359 HydrophobicContact CB-CB 4.24Å; L172-P359 HydrophobicContact CD2-CB 3.77Å; L172-P359 HydrophobicContact CG-CB 3.63Å; L172-P359 VanDerWaalsContact O-CB 3.27Å; L172-P359 WeakPolarHBondContact O-CB 3.31Å; L172-P359 WeakPolarHBondContact O-CG 3.43Å; R348-P359 CarbonylContact O-C 3.55Å; R348-P359 WeakPolarHBondContact O-CA 3.46Å
360D93.8Very high89.5Confident64 Ų6440.9 Ų40.934%0.34223%0.231SC..EExtended strand (participates in β ladder)trans-151.4138178.8-176.433.6000109.9R348R348-D360 HydrophobicContact CB-CB 4.32Å; R348-D360 IonicContact CZ-OD2 2.7Å; R348-D360 PolarHBondContact N-O 3.49Å; R348-D360 IonicContact NE-OD2 2.79Å; R348-D360 PolarHBondContact NE-OD2 3.27Å; R348-D360 IonicContact NH2-OD2 3.9Å; R348-D360 PolarHBondContact NH2-OD2 2.92Å; R348-D360 PolarHBondContact O-N 3.02Å
361V94.8Very high88.3Confident19 Ų1944.8 Ų44.812%0.11525%0.251CS..EExtended strand (participates in β ladder)trans-124.4111.3-174174.30000108.6T159 F162 M163 L172 L347 V363T159-V361 HydrophobicContact CG2-CG1 4.37Å; F162-V361 HydrophobicContact CB-CG1 4.01Å; F162-V361 HydrophobicContact CB-CG2 4.24Å; M163-V361 HydrophobicContact SD-CG2 4.19Å; L172-V361 HydrophobicContact CB-CG2 4.3Å; L172-V361 HydrophobicContact CD2-CG2 3.74Å; L347-V361 HydrophobicContact CD2-CB 4.21Å; L347-V361 HydrophobicContact CD2-CG1 3.66Å; L347-V361 HydrophobicContact CD2-CG2 3.94Å; V361-V363 HydrophobicContact CG1-CG2 3.97Å
362Q93.8Very high87.1Confident75 Ų7545.9 Ų45.935%0.3526%0.26SS..EExtended strand (participates in β ladder)trans-107.8120.4174.6-174.1176.2-10.100109.8T346 D364T346-Q362 PolarHBondContact N-O 3.03Å; T346-Q362 PolarHBondContact O-N 2.71Å; Q362-D364 PolarHBondContact NE2-OD2 3.36Å
363V94.6Very high86Confident7 Ų747.7 Ų47.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-123.5121.6176.7-178.70000109.2T155 I158 T159 I344 V361T155-V363 HydrophobicContact CG2-CB 4.3Å; T155-V363 HydrophobicContact CG2-CG1 4.47Å; T155-V363 WeakPolarHBondContact CG2-O 3.29Å; I158-V363 HydrophobicContact CB-CG1 4.08Å; I158-V363 HydrophobicContact CB-CG2 4.41Å; I158-V363 HydrophobicContact CG2-CB 4.47Å; I158-V363 HydrophobicContact CG2-CG1 3.87Å; I158-V363 HydrophobicContact CG2-CG2 3.8Å; T159-V363 HydrophobicContact CG2-CB 3.73Å; T159-V363 HydrophobicContact CG2-CG2 3.61Å; I344-V363 WeakPolarHBondContact O-CA 3.29Å; V361-V363 HydrophobicContact CG1-CG2 3.97Å
364D93Very high85.4Confident39 Ų3949.7 Ų49.721%0.20927%0.273CS..EExtended strand (participates in β ladder)trans-112.8100.9177.6-70.4-35.9000109.5I344 Q362 Q463I344-D364 PolarHBondContact N-O 3.36Å; I344-D364 PolarHBondContact O-N 3.23Å; Q362-D364 PolarHBondContact NE2-OD2 3.36Å; D364-Q463 PolarHBondContact OD1-NE2 2.96Å; D364-Q463 PolarHBondContact OD2-NE2 2.88Å
365S92.7Very high85Confident15 Ų1543.5 Ų43.511%0.10525%0.247CC..EExtended strand (participates in β ladder)trans-88128.1174.5-550000111.6N154 T155 F342 S343N154-S365 PolarHBondContact ND2-OG 3.4Å; N154-S365 VanDerWaalsContact ND2-OG 3.09Å; T155-S365 WeakPolarHBondContact OG1-CB 3.42Å; T155-S365 PolarHBondContact OG1-OG 2.76Å; F342-S365 CarbonylContact O-C 3.11Å; F342-S365 VanDerWaalsContact O-CA 3.27Å; F342-S365 WeakPolarHBondContact O-CA 3.32Å; S343-S365 PolarHBondContact OG-OG 3.47Å
366A91.1Very high84.8Confident0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-140.8140.7177.500000111.3F342 L368 H462F342-A366 WeakPolarHBondContact CB-O 3.35Å; F342-A366 PolarHBondContact N-O 2.96Å; F342-A366 PolarHBondContact O-N 3.06Å; A366-L368 HydrophobicContact CB-CD2 3.87Å; A366-L368 HydrophobicContact CB-CG 4.23Å; A366-L368 PolarHBondContact O-N 2.84Å; A366-L368 VanDerWaalsContact O-N 3.17Å; A366-H462 HydrophobicContact CB-CB 4.36Å
367K88.3Confident84.5Confident38 Ų3848 Ų4817%0.16525%0.249CC..  trans-82.187.2168.7-71.1-169.5176.5-168.90109.2D148 L151 L341 E370 R433D148-K367 VanDerWaalsContact OD2-CE 3.32Å; D148-K367 WeakPolarHBondContact OD2-CE 3.18Å; D148-K367 IonicContact OD2-NZ 2.66Å; D148-K367 PolarHBondContact OD2-NZ 3.4Å; L151-K367 HydrophobicContact CD1-CD 4.24Å; L151-K367 HydrophobicContact CD1-CG 4.19Å; L341-K367 HydrophobicContact CD2-CB 4.46Å; L341-K367 HydrophobicContact CD2-CD 4.28Å; L341-K367 HydrophobicContact CD2-CG 3.33Å; L341-K367 HydrophobicContact CG-CG 4.24Å; K367-E370 HydrophobicContact CB-CG 4.08Å; K367-E370 WeakPolarHBondContact CB-OE1 3.32Å; K367-E370 WeakPolarHBondContact CD-OE1 3.5Å; K367-R433 PolarHBondContact O-NH2 3.28Å
368L85.4Confident84.1Confident0 Ų051 Ų510%027%0.269CS..  trans-75.6-38-174.6-63.6-179.5000112.7F342 A366 E370 R433 V437 F455 P458F342-L368 HydrophobicContact CB-CD1 3.91Å; F342-L368 HydrophobicContact CB-CG 4.13Å; F342-L368 HydrophobicContact CD1-CD1 4.18Å; F342-L368 HydrophobicContact CD2-CB 3.69Å; F342-L368 HydrophobicContact CD2-CD1 4.21Å; F342-L368 HydrophobicContact CD2-CG 4.02Å; F342-L368 HydrophobicContact CE2-CB 3.96Å; F342-L368 HydrophobicContact CG-CB 4.2Å; F342-L368 HydrophobicContact CG-CD1 3.84Å; F342-L368 HydrophobicContact CG-CG 4.09Å; A366-L368 HydrophobicContact CB-CD2 3.87Å; A366-L368 HydrophobicContact CB-CG 4.23Å; A366-L368 PolarHBondContact O-N 2.84Å; A366-L368 VanDerWaalsContact O-N 3.17Å; L368-E370 PolarHBondContact O-N 3.4Å; L368-R433 PolarHBondContact O-NH2 2.9Å; L368-V437 HydrophobicContact CB-CG1 4.37Å; L368-V437 HydrophobicContact CB-CG2 4.26Å; L368-V437 HydrophobicContact CD2-CG2 4.32Å; L368-F455 HydrophobicContact CD1-CD1 3.92Å; L368-P458 HydrophobicContact CD1-CB 4.24Å; L368-P458 HydrophobicContact CD1-CG 4.03Å; L368-P458 HydrophobicContact CD2-CB 3.96Å
369L82.7Confident83.8Confident51 Ų5149 Ų4927%0.26726%0.258SS..  trans-99.772.9-173.5-168.174.4000111.3N340 F342 N371 Q374 M441N340-L369 PolarHBondContact ND2-O 3.35Å; F342-L369 HydrophobicContact CE2-CB 4.07Å; L369-N371 PolarHBondContact O-N 3.35Å; L369-Q374 PolarHBondContact O-OE1 2.83Å; L369-M441 HydrophobicContact CD1-CG 4.26Å
370E74.5Confident83.3Confident67 Ų6747.8 Ų47.831%0.31325%0.25SC..  trans-96.589.9175.4-74.1-177.3174.100110.4K367 L368 M375K367-E370 HydrophobicContact CB-CG 4.08Å; K367-E370 WeakPolarHBondContact CB-OE1 3.32Å; K367-E370 WeakPolarHBondContact CD-OE1 3.5Å; L368-E370 PolarHBondContact O-N 3.4Å; E370-M375 HydrophobicContact CB-CE 4.4Å
371N68.6Low82.9Confident81 Ų8149 Ų4943%0.43326%0.256SS..  trans-73.2143.8167.6-69.1-24.3000109.2L369 D373 Q374L369-N371 PolarHBondContact O-N 3.35Å; N371-D373 HydrophobicContact CB-CB 4.35Å; N371-D373 PolarHBondContact O-N 2.74Å; N371-Q374 PolarHBondContact O-N 2.64Å
372V66.6Low82.5Confident54 Ų5448.7 Ų48.733%0.32726%0.255SS..G310 helixtrans-49.7-32.9172.4179.70000110.6K39 V43 Q374 M375 L380K39-V372 HydrophobicContact CB-CG1 4.15Å; K39-V372 WeakPolarHBondContact CD-O 3.47Å; V43-V372 HydrophobicContact CG2-CB 4.49Å; V43-V372 HydrophobicContact CG2-CG1 3.51Å; V43-V372 HydrophobicContact CG2-CG2 4.2Å; V372-Q374 VanDerWaalsContact C-N 3.25Å; V372-Q374 PolarHBondContact O-N 3.37Å; V372-M375 PolarHBondContact O-N 3.03Å; V372-M375 VanDerWaalsContact O-N 3.13Å; V372-L380 HydrophobicContact CG1-CD1 4.29Å; V372-L380 HydrophobicContact CG1-CD2 4.5Å
373D65.5Low82.2Confident61 Ų6148.3 Ų48.333%0.32626%0.255SS..G310 helixtrans-60.7-29.7178.7-59.5-17.2000113.8V36 K39 N371V36-D373 WeakPolarHBondContact CG1-OD1 3.42Å; V36-D373 HydrophobicContact CG2-CB 4.16Å; K39-D373 PolarHBondContact NZ-O 3Å; N371-D373 HydrophobicContact CB-CB 4.35Å; N371-D373 PolarHBondContact O-N 2.74Å
374Q71Confident81.7Confident110 Ų11049 Ų4951%0.51426%0.259SS..G310 helixtrans-89.9-15.9178.5-64.5-178.7-600112.9N340 L369 N371 V372N340-Q374 PolarHBondContact ND2-NE2 2.93Å; N340-Q374 PolarHBondContact ND2-OE1 3.45Å; L369-Q374 PolarHBondContact O-OE1 2.83Å; N371-Q374 PolarHBondContact O-N 2.64Å; V372-Q374 VanDerWaalsContact C-N 3.25Å; V372-Q374 PolarHBondContact O-N 3.37Å
375M76Confident81.5Confident51 Ų5150.6 Ų50.625%0.25127%0.266SS..SBendtrans-68.6136.8178.7-70.3-156.7174.900111.1K39 E370 V372K39-M375 WeakPolarHBondContact CE-O 3.5Å; K39-M375 PolarHBondContact NZ-O 3.24Å; E370-M375 HydrophobicContact CB-CE 4.4Å; V372-M375 PolarHBondContact O-N 3.03Å; V372-M375 VanDerWaalsContact O-N 3.13Å
376P82.2Confident81.4Confident73 Ų7351 Ų5147%0.47427%0.266SS..  trans-64.3149.2173.428.1-34.1000110.1T378 G379 L380P376-T378 PolarHBondContact O-N 3.4Å; P376-T378 VanDerWaalsContact O-N 3.1Å; P376-G379 WeakPolarHBondContact O-CA 3.26Å; P376-G379 PolarHBondContact O-N 2.83Å; P376-L380 PolarHBondContact O-N 3Å; P376-L380 VanDerWaalsContact O-N 3.15Å
377Y81.9Confident81.2Confident101 Ų10152.4 Ų52.440%0.39627%0.274SS..Hα-helixtrans-55.5-32.2179-64.1-74.3000112.9D35 F38 K39 L380 L381D35-Y377 WeakPolarHBondContact CB-OH 3.48Å; D35-Y377 PolarHBondContact OD1-OH 3.17Å; F38-Y377 HydrophobicContact CD1-CD1 4.39Å; F38-Y377 AromaticContact CD1-CE1 3.85Å; F38-Y377 HydrophobicContact CD1-CE1 3.85Å; F38-Y377 HydrophobicContact CE1-CD1 4.43Å; F38-Y377 HydrophobicContact CE1-CE1 4.28Å; K39-Y377 HydrophobicContact CD-CE1 4.44Å; K39-Y377 HydrophobicContact CG-CD1 4.35Å; K39-Y377 HydrophobicContact CG-CE1 3.9Å; Y377-L380 PolarHBondContact O-N 3.42Å; Y377-L381 WeakPolarHBondContact O-CB 3.36Å; Y377-L381 PolarHBondContact O-N 3.31Å
378T84.1Confident81.1Confident91 Ų9152.7 Ų52.756%0.55828%0.277SS*.Hα-helixtrans-63.6-40.1174.751.10000112.3P376 A382P376-T378 PolarHBondContact O-N 3.4Å; P376-T378 VanDerWaalsContact O-N 3.1Å; T378-A382 VanDerWaalsContact O-CB 3.26Å; T378-A382 WeakPolarHBondContact O-CB 3.19Å; T378-A382 PolarHBondContact O-N 2.84Å
379G84.6Confident81.3Confident4 Ų453.5 Ų53.54%0.04128%0.282CS..Hα-helixtrans-67.1-42.4176.500000112P376 A382 L383P376-G379 WeakPolarHBondContact O-CA 3.26Å; P376-G379 PolarHBondContact O-N 2.83Å; G379-A382 PolarHBondContact O-N 3.23Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.89Å
380L83.3Confident81.6Confident3 Ų352.6 Ų52.62%0.01628%0.276CS..Hα-helixtrans-65.7-41.2177.2-172.559.3000112.1K39 L42 V43 V372 P376 Y377 L383 L384K39-L380 HydrophobicContact CB-CD2 4.04Å; K39-L380 HydrophobicContact CG-CD2 4.06Å; L42-L380 HydrophobicContact CB-CD2 3.86Å; L42-L380 HydrophobicContact CB-CG 4.46Å; L42-L380 HydrophobicContact CD1-CD2 3.82Å; L42-L380 HydrophobicContact CD1-CG 3.97Å; L42-L380 HydrophobicContact CD2-CD1 4.03Å; L42-L380 HydrophobicContact CD2-CD2 3.93Å; L42-L380 HydrophobicContact CD2-CG 3.55Å; L42-L380 HydrophobicContact CG-CD2 4.05Å; L42-L380 HydrophobicContact CG-CG 4.18Å; V43-L380 HydrophobicContact CG2-CD1 3.76Å; V372-L380 HydrophobicContact CG1-CD1 4.29Å; V372-L380 HydrophobicContact CG1-CD2 4.5Å; P376-L380 PolarHBondContact O-N 3Å; P376-L380 VanDerWaalsContact O-N 3.15Å; Y377-L380 PolarHBondContact O-N 3.42Å; L380-L383 PolarHBondContact O-N 3.34Å; L380-L384 PolarHBondContact O-N 2.88Å
381L85.6Confident82.2Confident90 Ų9050.2 Ų50.247%0.47127%0.265SS..Hα-helixtrans-65.3-43.5173.6-178.665.3000111.9Y377 L383 L384 I385Y377-L381 WeakPolarHBondContact O-CB 3.36Å; Y377-L381 PolarHBondContact O-N 3.31Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.31Å; L381-L384 PolarHBondContact O-N 3.06Å; L381-I385 HydrophobicContact CD1-CD1 4.24Å; L381-I385 HydrophobicContact CD1-CG1 4.5Å; L381-I385 HydrophobicContact CG-CD1 4.01Å; L381-I385 WeakPolarHBondContact O-CG1 3.5Å; L381-I385 PolarHBondContact O-N 3.08Å
382A88Confident83Confident11 Ų1151.2 Ų51.29%0.09127%0.267CS..Hα-helixtrans-62.4-41177.100000111.5L142 T378 G379 I385 Y386L142-A382 HydrophobicContact CD1-CB 4.36Å; T378-A382 VanDerWaalsContact O-CB 3.26Å; T378-A382 WeakPolarHBondContact O-CB 3.19Å; T378-A382 PolarHBondContact O-N 2.84Å; G379-A382 PolarHBondContact O-N 3.23Å; A382-I385 PolarHBondContact O-N 2.93Å; A382-Y386 VanDerWaalsContact O-CB 3.24Å; A382-Y386 WeakPolarHBondContact O-CB 3.37Å; A382-Y386 PolarHBondContact O-N 3.36Å
383L86.8Confident84.1Confident67 Ų6749.1 Ų49.135%0.35125%0.254SS..Hα-helixtrans-61.4-46174.3-174.872.4000111.4L142 G379 L380 L381 Y386 V387L142-L383 HydrophobicContact CD1-CB 4.22Å; L142-L383 HydrophobicContact CD1-CD1 4.19Å; G379-L383 WeakPolarHBondContact O-CB 3.3Å; G379-L383 PolarHBondContact O-N 2.89Å; L380-L383 PolarHBondContact O-N 3.34Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.31Å; L383-Y386 PolarHBondContact O-N 3.17Å; L383-V387 VanDerWaalsContact O-CG2 3.31Å; L383-V387 WeakPolarHBondContact O-CG2 3.32Å; L383-V387 PolarHBondContact O-N 3.31Å
384L84.4Confident85.2Confident23 Ų2347 Ų4712%0.1225%0.245CC..Hα-helixtrans-58-50.7176.217165.4000111.4L42 V46 L49 L380 L381 Y386 V387 L388L42-L384 HydrophobicContact CD2-CB 4.39Å; L42-L384 HydrophobicContact CD2-CD2 4.25Å; V46-L384 HydrophobicContact CB-CD1 4.09Å; V46-L384 HydrophobicContact CG1-CD1 4.36Å; V46-L384 HydrophobicContact CG2-CB 3.89Å; V46-L384 HydrophobicContact CG2-CD1 3.4Å; V46-L384 VanDerWaalsContact CG2-CD1 3.4Å; V46-L384 HydrophobicContact CG2-CG 4.14Å; L49-L384 HydrophobicContact CD1-CD1 3.83Å; L380-L384 PolarHBondContact O-N 2.88Å; L381-L384 PolarHBondContact O-N 3.06Å; L384-Y386 VanDerWaalsContact C-N 3.31Å; L384-Y386 PolarHBondContact O-N 3.01Å; L384-V387 PolarHBondContact O-N 3.23Å; L384-L388 HydrophobicContact CD1-CD1 4.17Å; L384-L388 HydrophobicContact CD1-CG 4.35Å; L384-L388 HydrophobicContact CG-CD1 4.32Å; L384-L388 WeakPolarHBondContact O-CG 3.41Å; L384-L388 PolarHBondContact O-N 2.89Å; L384-L388 VanDerWaalsContact O-N 3.1Å
385I88Confident85.9Confident71 Ų7144.9 Ų44.936%0.36424%0.235SC..Hα-helixtrans-62-42.8179.6-65.7168.3000110.3C138 L381 A382 L388 V389C138-I385 VanDerWaalsContact SG-CG2 3.56Å; L381-I385 HydrophobicContact CD1-CD1 4.24Å; L381-I385 HydrophobicContact CD1-CG1 4.5Å; L381-I385 HydrophobicContact CG-CD1 4.01Å; L381-I385 WeakPolarHBondContact O-CG1 3.5Å; L381-I385 PolarHBondContact O-N 3.08Å; A382-I385 PolarHBondContact O-N 2.93Å; I385-L388 PolarHBondContact O-N 3.21Å; I385-V389 HydrophobicContact CG2-CG2 4.29Å; I385-V389 VanDerWaalsContact O-CG2 3.32Å; I385-V389 WeakPolarHBondContact O-CG2 3.3Å; I385-V389 PolarHBondContact O-N 3.44Å
386Y90.2Very high86.3Confident25 Ų2544.8 Ų44.810%0.09824%0.237CC..Hα-helixtrans-59.5-48.6178.4178.4-101.1000112.2Y135 C138 L139 L142 A382 L383 L384 L388 V389 F390 N423Y135-Y386 HydrophobicContact CD2-CE2 4.48Å; Y135-Y386 AromaticContact CE2-CE2 3.89Å; Y135-Y386 HydrophobicContact CE2-CE2 3.89Å; C138-Y386 HydrophobicContact CB-CD2 4.34Å; L139-Y386 HydrophobicContact CB-CD2 4.45Å; L139-Y386 HydrophobicContact CB-CE2 3.89Å; L139-Y386 HydrophobicContact CD1-CE2 3.6Å; L139-Y386 HydrophobicContact CG-CE2 4.34Å; L142-Y386 HydrophobicContact CD2-CD1 3.65Å; L142-Y386 HydrophobicContact CD2-CD2 4.07Å; L142-Y386 HydrophobicContact CD2-CE1 4.1Å; L142-Y386 HydrophobicContact CD2-CE2 4.48Å; L142-Y386 HydrophobicContact CD2-CG 3.63Å; A382-Y386 VanDerWaalsContact O-CB 3.24Å; A382-Y386 WeakPolarHBondContact O-CB 3.37Å; A382-Y386 PolarHBondContact O-N 3.36Å; L383-Y386 PolarHBondContact O-N 3.17Å; L384-Y386 VanDerWaalsContact C-N 3.31Å; L384-Y386 PolarHBondContact O-N 3.01Å; Y386-L388 VanDerWaalsContact C-N 3.33Å; Y386-L388 PolarHBondContact O-N 3.49Å; Y386-V389 PolarHBondContact O-N 2.89Å; Y386-F390 HydrophobicContact CE1-CB 4.5Å; Y386-F390 VanDerWaalsContact O-CB 3.27Å; Y386-F390 WeakPolarHBondContact O-CB 3.46Å; Y386-F390 PolarHBondContact O-N 2.98Å; Y386-N423 PolarHBondContact OH-OD1 3.5Å
387V86.8Confident86.5Confident29 Ų2942.5 Ų42.518%0.17622%0.221CC..Hα-helixtrans-58.7-45.3178.1168.30000110.9V46 I50 L383 L384 F390 I391V46-V387 HydrophobicContact CG1-CG1 4.32Å; I50-V387 HydrophobicContact CD1-CG1 3.78Å; I50-V387 HydrophobicContact CG1-CG1 3.48Å; I50-V387 VanDerWaalsContact CG1-CG1 3.48Å; L383-V387 VanDerWaalsContact O-CG2 3.31Å; L383-V387 WeakPolarHBondContact O-CG2 3.32Å; L383-V387 PolarHBondContact O-N 3.31Å; L384-V387 PolarHBondContact O-N 3.23Å; V387-F390 PolarHBondContact O-N 3.1Å; V387-I391 HydrophobicContact CG1-CD1 3.81Å; V387-I391 VanDerWaalsContact O-CG1 3.27Å; V387-I391 WeakPolarHBondContact O-CG1 3.19Å; V387-I391 PolarHBondContact O-N 3.12Å
388L86.5Confident86.7Confident43 Ų4340.3 Ų40.323%0.22522%0.223CC..Hα-helixtrans-60.7-47.6178.2-70.2176.1000112.3L49 F53 L384 I385 Y386 I391 Q392L49-L388 HydrophobicContact CB-CD2 4.13Å; L49-L388 HydrophobicContact CD1-CD1 4.5Å; L49-L388 HydrophobicContact CD1-CD2 4.19Å; F53-L388 HydrophobicContact CD2-CD2 3.9Å; F53-L388 HydrophobicContact CE2-CD2 3.34Å; F53-L388 HydrophobicContact CZ-CD2 4.23Å; L384-L388 HydrophobicContact CD1-CD1 4.17Å; L384-L388 HydrophobicContact CD1-CG 4.35Å; L384-L388 HydrophobicContact CG-CD1 4.32Å; L384-L388 WeakPolarHBondContact O-CG 3.41Å; L384-L388 PolarHBondContact O-N 2.89Å; L384-L388 VanDerWaalsContact O-N 3.1Å; I385-L388 PolarHBondContact O-N 3.21Å; Y386-L388 VanDerWaalsContact C-N 3.33Å; Y386-L388 PolarHBondContact O-N 3.49Å; L388-I391 PolarHBondContact O-N 3Å; L388-Q392 WeakPolarHBondContact O-CG 3.47Å; L388-Q392 PolarHBondContact O-N 2.74Å; L388-Q392 VanDerWaalsContact O-N 3.07Å
389V89.2Confident86.6Confident18 Ų1839.9 Ų39.911%0.10922%0.22CC..Hα-helixtrans-69.3-36.1-179.6177.10000111.3P134 Y135 I385 Y386 Q392 F393P134-V389 HydrophobicContact CB-CG1 4.42Å; Y135-V389 HydrophobicContact CD2-CG1 4.39Å; I385-V389 HydrophobicContact CG2-CG2 4.29Å; I385-V389 VanDerWaalsContact O-CG2 3.32Å; I385-V389 WeakPolarHBondContact O-CG2 3.3Å; I385-V389 PolarHBondContact O-N 3.44Å; Y386-V389 PolarHBondContact O-N 2.89Å; V389-Q392 PolarHBondContact O-N 2.76Å; V389-F393 WeakPolarHBondContact O-CB 3.36Å; V389-F393 PolarHBondContact O-N 2.87Å
390F90.2Very high86.5Confident32 Ų3242.7 Ų42.714%0.1423%0.232CC..Hα-helixtrans-64-42.8174.8176.3-111.6000111.8Y135 Y386 V387 F393 A394 F420 N423Y135-F390 HydrophobicContact CE2-CB 4.49Å; Y135-F390 AromaticContact CE2-CD2 3.99Å; Y135-F390 HydrophobicContact CE2-CD2 3.99Å; Y386-F390 HydrophobicContact CE1-CB 4.5Å; Y386-F390 VanDerWaalsContact O-CB 3.27Å; Y386-F390 WeakPolarHBondContact O-CB 3.46Å; Y386-F390 PolarHBondContact O-N 2.98Å; V387-F390 PolarHBondContact O-N 3.1Å; F390-F393 HydrophobicContact CD2-CD1 4.49Å; F390-F393 PolarHBondContact O-N 2.69Å; F390-A394 WeakPolarHBondContact O-CB 3.02Å; F390-A394 PolarHBondContact O-N 2.84Å; F390-F420 HydrophobicContact CE2-CD2 4.25Å; F390-F420 AromaticContact CZ-CD2 3.93Å; F390-F420 HydrophobicContact CZ-CD2 3.93Å; F390-F420 HydrophobicContact CZ-CE2 4.1Å; F390-N423 HydrophobicContact CD2-CB 4.22Å; F390-N423 HydrophobicContact CE1-CB 4.39Å; F390-N423 HydrophobicContact CE2-CB 3.31Å; F390-N423 VanDerWaalsContact CE2-CG 3.42Å; F390-N423 HydrophobicContact CZ-CB 3.42Å; F390-N423 VanDerWaalsContact CZ-CB 3.42Å
391I86.7Confident86.5Confident16 Ų1645.4 Ų45.48%0.08225%0.246CC..Hα-helixtrans-64-42.2176.3-65.6163.9000110.8I50 F53 V387 L388 F393 A394 Q395I50-I391 HydrophobicContact CB-CD1 4.43Å; I50-I391 HydrophobicContact CG1-CD1 4.05Å; F53-I391 HydrophobicContact CB-CD1 4.33Å; F53-I391 HydrophobicContact CB-CG2 3.55Å; F53-I391 HydrophobicContact CG-CG2 4.23Å; V387-I391 HydrophobicContact CG1-CD1 3.81Å; V387-I391 VanDerWaalsContact O-CG1 3.27Å; V387-I391 WeakPolarHBondContact O-CG1 3.19Å; V387-I391 PolarHBondContact O-N 3.12Å; L388-I391 PolarHBondContact O-N 3Å; I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.41Å; I391-A394 PolarHBondContact O-N 2.76Å; I391-Q395 HydrophobicContact CG2-CG 4.18Å; I391-Q395 WeakPolarHBondContact O-CB 3.48Å; I391-Q395 WeakPolarHBondContact O-CG 3.42Å; I391-Q395 PolarHBondContact O-N 3.22Å
392Q86.1Confident86.4Confident102 Ų10251.7 Ų51.748%0.47726%0.263SS..Hα-helixtrans-60.7-42.5174.8-72.4177.4-6.200112.3L388 V389 T396L388-Q392 WeakPolarHBondContact O-CG 3.47Å; L388-Q392 PolarHBondContact O-N 2.74Å; L388-Q392 VanDerWaalsContact O-N 3.07Å; V389-Q392 PolarHBondContact O-N 2.76Å; Q392-T396 WeakPolarHBondContact O-CB 3Å; Q392-T396 PolarHBondContact O-N 3.25Å; Q392-T396 PolarHBondContact O-OG1 3.05Å
393F89.2Confident86.2Confident11 Ų1159.9 Ų59.95%0.04829%0.293CS..Hα-helixtrans-61.8-47.6174.5173.3-101.8000111.4I131 Y132 V389 F390 I391 T396 L397 D416 I419I131-F393 HydrophobicContact CG2-CD2 4.27Å; Y132-F393 HydrophobicContact CD2-CE2 4.07Å; Y132-F393 HydrophobicContact CE2-CE2 4.48Å; V389-F393 WeakPolarHBondContact O-CB 3.36Å; V389-F393 PolarHBondContact O-N 2.87Å; F390-F393 HydrophobicContact CD2-CD1 4.49Å; F390-F393 PolarHBondContact O-N 2.69Å; I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.41Å; F393-T396 PolarHBondContact O-N 3.28Å; F393-L397 HydrophobicContact CE1-CD1 4.26Å; F393-L397 HydrophobicContact CZ-CD1 4.19Å; F393-L397 WeakPolarHBondContact O-CB 3.29Å; F393-L397 PolarHBondContact O-N 3.14Å; F393-D416 HydrophobicContact CZ-CB 4.36Å; F393-I419 HydrophobicContact CE1-CG2 4.17Å; F393-I419 HydrophobicContact CZ-CG2 4.39Å
394A88.2Confident86Confident16 Ų1661.1 Ų61.113%0.13230%0.297CS..Hα-helixtrans-63.1-44.1179.200000112.6F390 I391 L397 A398 F420F390-A394 WeakPolarHBondContact O-CB 3.02Å; F390-A394 PolarHBondContact O-N 2.84Å; I391-A394 PolarHBondContact O-N 2.76Å; A394-L397 PolarHBondContact O-N 2.89Å; A394-A398 VanDerWaalsContact O-CB 3.32Å; A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 3.04Å; A394-F420 HydrophobicContact CB-CD2 3.86Å; A394-F420 HydrophobicContact CB-CE2 3.65Å
395Q85.7Confident85.8Confident65 Ų6563.9 Ų63.930%0.30432%0.316SS..Hα-helixtrans-60.9-44.9175.7-75.9178.5-14.100111.4F53 I391 L397 A398 V399F53-Q395 PolarHBondContact O-NE2 2.87Å; I391-Q395 HydrophobicContact CG2-CG 4.18Å; I391-Q395 WeakPolarHBondContact O-CB 3.48Å; I391-Q395 WeakPolarHBondContact O-CG 3.42Å; I391-Q395 PolarHBondContact O-N 3.22Å; Q395-L397 VanDerWaalsContact C-N 3.31Å; Q395-L397 PolarHBondContact O-N 3.32Å; Q395-A398 PolarHBondContact O-N 2.64Å; Q395-V399 WeakPolarHBondContact O-CB 3.36Å; Q395-V399 VanDerWaalsContact O-CG2 3.28Å; Q395-V399 WeakPolarHBondContact O-CG2 3.42Å; Q395-V399 PolarHBondContact O-N 3.44Å
396T85Confident85.6Confident49 Ų4965.9 Ų65.930%0.30132%0.324SS..Hα-helixtrans-60.5-44.3177.6-550000111I131 Q392 F393 K400I131-T396 HydrophobicContact CD1-CG2 3.56Å; Q392-T396 WeakPolarHBondContact O-CB 3Å; Q392-T396 PolarHBondContact O-N 3.25Å; Q392-T396 PolarHBondContact O-OG1 3.05Å; F393-T396 PolarHBondContact O-N 3.28Å; T396-K400 VanDerWaalsContact O-CB 3.27Å; T396-K400 WeakPolarHBondContact O-CB 3.46Å; T396-K400 PolarHBondContact O-N 3.44Å
397L86.3Confident84.9Confident26 Ų2667 Ų6714%0.13633%0.331CS..Hα-helixtrans-64.3-45.4177.9-170.8157.7000111.4F393 A394 Q395 K400 L401 D416 L417 F420F393-L397 HydrophobicContact CE1-CD1 4.26Å; F393-L397 HydrophobicContact CZ-CD1 4.19Å; F393-L397 WeakPolarHBondContact O-CB 3.29Å; F393-L397 PolarHBondContact O-N 3.14Å; A394-L397 PolarHBondContact O-N 2.89Å; Q395-L397 VanDerWaalsContact C-N 3.31Å; Q395-L397 PolarHBondContact O-N 3.32Å; L397-K400 PolarHBondContact O-N 3.2Å; L397-L401 VanDerWaalsContact O-CB 3.32Å; L397-L401 WeakPolarHBondContact O-CB 3.36Å; L397-L401 PolarHBondContact O-N 3.33Å; L397-D416 VanDerWaalsContact CD1-C 3.49Å; L397-D416 HydrophobicContact CD1-CB 3.83Å; L397-D416 WeakPolarHBondContact CD1-O 3.33Å; L397-L417 HydrophobicContact CD2-CD1 4.23Å; L397-F420 HydrophobicContact CD1-CB 4.12Å
398A85.1Confident84.4Confident54 Ų5468.2 Ų68.245%0.44634%0.337SS..Hα-helixtrans-61.6-46.3179.200000111.7A394 Q395 L401 W402A394-A398 VanDerWaalsContact O-CB 3.32Å; A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 3.04Å; Q395-A398 PolarHBondContact O-N 2.64Å; A398-L401 PolarHBondContact O-N 3.28Å; A398-W402 VanDerWaalsContact O-CB 3.3Å; A398-W402 WeakPolarHBondContact O-CB 3.31Å; A398-W402 PolarHBondContact O-N 3.38Å
399V83.8Confident84Confident82 Ų8274.6 Ų74.650%0.49736%0.363SS..Hα-helixtrans-60.5-47.7175.4171.60000110.3Q395 L401 W402 Y403Q395-V399 WeakPolarHBondContact O-CB 3.36Å; Q395-V399 VanDerWaalsContact O-CG2 3.28Å; Q395-V399 WeakPolarHBondContact O-CG2 3.42Å; Q395-V399 PolarHBondContact O-N 3.44Å; V399-L401 VanDerWaalsContact C-N 3.31Å; V399-L401 PolarHBondContact O-N 3.27Å; V399-W402 PolarHBondContact O-N 2.97Å; V399-Y403 HydrophobicContact CG1-CD2 3.75Å; V399-Y403 HydrophobicContact CG1-CE2 3.93Å; V399-Y403 WeakPolarHBondContact O-CD2 3.48Å; V399-Y403 PolarHBondContact O-N 2.87Å
400K82.1Confident83.8Confident64 Ų6476 Ų7628%0.27837%0.373SS..Hα-helixtrans-58.8-42.7178.6-171.8178.9-171.5179.70112.2T396 L397 E404 L407 N413T396-K400 VanDerWaalsContact O-CB 3.27Å; T396-K400 WeakPolarHBondContact O-CB 3.46Å; T396-K400 PolarHBondContact O-N 3.44Å; L397-K400 PolarHBondContact O-N 3.2Å; K400-E404 PolarHBondContact O-N 3.25Å; K400-L407 HydrophobicContact CD-CD1 4.37Å; K400-L407 HydrophobicContact CG-CD1 3.78Å; K400-N413 PolarHBondContact NZ-OD1 2.91Å
401L83.6Confident83.6Confident60 Ų6079.7 Ų79.731%0.31440%0.398SS..Hα-helixtrans-69.6-37.7178.8177.655.3000112.4L397 A398 V399 L408L397-L401 VanDerWaalsContact O-CB 3.32Å; L397-L401 WeakPolarHBondContact O-CB 3.36Å; L397-L401 PolarHBondContact O-N 3.33Å; A398-L401 PolarHBondContact O-N 3.28Å; V399-L401 VanDerWaalsContact C-N 3.31Å; V399-L401 PolarHBondContact O-N 3.27Å; L401-L408 HydrophobicContact CD1-CD1 3.24Å; L401-L408 HydrophobicContact CD1-CD2 3.82Å; L401-L408 HydrophobicContact CD1-CG 3.42Å; L401-L408 VanDerWaalsContact CD1-CG 3.42Å
402W83.5Confident83.6Confident221 Ų22182 Ų8284%0.83741%0.406SS*.Hα-helixtrans-69.3-46.5-178.5-168.2-68.9000112.4A398 V399A398-W402 VanDerWaalsContact O-CB 3.3Å; A398-W402 WeakPolarHBondContact O-CB 3.31Å; A398-W402 PolarHBondContact O-N 3.38Å; V399-W402 PolarHBondContact O-N 2.97Å
403Y82.9Confident83.6Confident183 Ų18377.8 Ų77.872%0.71839%0.386SS*.Hα-helixtrans-77.5-36.3-177.5-79.3-82.8000112.7V399V399-Y403 HydrophobicContact CG1-CD2 3.75Å; V399-Y403 HydrophobicContact CG1-CE2 3.93Å; V399-Y403 WeakPolarHBondContact O-CD2 3.48Å; V399-Y403 PolarHBondContact O-N 2.87Å
404E82.5Confident83.6Confident93 Ų9383.1 Ų83.144%0.43541%0.41SS..  trans-134.871.1-170.5-68.5-178-139.500111.6K400 H406 L407K400-E404 PolarHBondContact O-N 3.25Å; E404-H406 PolarHBondContact O-N 3.28Å; E404-H406 VanDerWaalsContact O-N 3.11Å; E404-H406 IonicContact OE2-CE1 3.83Å; E404-H406 PolarHBondContact OE2-CE1 3.07Å; E404-H406 IonicContact OE2-NE2 3.43Å; E404-L407 HydrophobicContact CB-CD1 3.57Å; E404-L407 HydrophobicContact CB-CG 3.74Å; E404-L407 HydrophobicContact CG-CD1 4.4Å; E404-L407 VanDerWaalsContact O-CB 3.27Å; E404-L407 WeakPolarHBondContact O-CB 3.3Å; E404-L407 PolarHBondContact O-N 3.01Å; E404-L407 VanDerWaalsContact OE2-CD1 3.28Å; E404-L407 WeakPolarHBondContact OE2-CD1 3.46Å
405P81.3Confident83.8Confident81 Ų8184.3 Ų84.353%0.52641%0.414SS..G310 helixtrans-63-23.9-177.725.6-35.1000112.7L407 L408P405-L407 PolarHBondContact O-N 3.41Å; P405-L408 WeakPolarHBondContact O-CB 3.45Å; P405-L408 PolarHBondContact O-N 2.78Å
406H83.1Confident84Confident114 Ų11481.8 Ų81.853%0.52840%0.402SS..G310 helixtrans-61.1-25.6175.573-84.2000112.7E404 L408 K409E404-H406 PolarHBondContact O-N 3.28Å; E404-H406 VanDerWaalsContact O-N 3.11Å; E404-H406 IonicContact OE2-CE1 3.83Å; E404-H406 PolarHBondContact OE2-CE1 3.07Å; E404-H406 IonicContact OE2-NE2 3.43Å; H406-L408 PolarHBondContact O-N 2.93Å; H406-K409 WeakPolarHBondContact O-CB 3.39Å; H406-K409 WeakPolarHBondContact O-CG 3.39Å; H406-K409 PolarHBondContact O-N 3.14Å; H406-K409 VanDerWaalsContact O-N 3.1Å
407L75Confident84.4Confident47 Ų4782.1 Ų82.125%0.24640%0.402CS..G310 helixtrans-63.8-20175.4-68.3179.3000112.8K400 E404 P405 K409 S410 N413K400-L407 HydrophobicContact CD-CD1 4.37Å; K400-L407 HydrophobicContact CG-CD1 3.78Å; E404-L407 HydrophobicContact CB-CD1 3.57Å; E404-L407 HydrophobicContact CB-CG 3.74Å; E404-L407 HydrophobicContact CG-CD1 4.4Å; E404-L407 VanDerWaalsContact O-CB 3.27Å; E404-L407 WeakPolarHBondContact O-CB 3.3Å; E404-L407 PolarHBondContact O-N 3.01Å; E404-L407 VanDerWaalsContact OE2-CD1 3.28Å; E404-L407 WeakPolarHBondContact OE2-CD1 3.46Å; P405-L407 PolarHBondContact O-N 3.41Å; L407-K409 PolarHBondContact O-N 3.43Å; L407-K409 VanDerWaalsContact O-N 3.17Å; L407-S410 WeakPolarHBondContact O-CB 3.47Å; L407-S410 PolarHBondContact O-N 3.44Å; L407-S410 VanDerWaalsContact O-N 3.08Å; L407-N413 WeakPolarHBondContact O-CB 3.27Å; L407-N413 PolarHBondContact O-ND2 3.45Å
408L76.9Confident84.7Confident55 Ų5585.3 Ų85.329%0.28842%0.415SS..G310 helixtrans-64.4-13.6173.3-74.8-175.2000113.8L401 P405 H406 S410 K414 L417L401-L408 HydrophobicContact CD1-CD1 3.24Å; L401-L408 HydrophobicContact CD1-CD2 3.82Å; L401-L408 HydrophobicContact CD1-CG 3.42Å; L401-L408 VanDerWaalsContact CD1-CG 3.42Å; P405-L408 WeakPolarHBondContact O-CB 3.45Å; P405-L408 PolarHBondContact O-N 2.78Å; H406-L408 PolarHBondContact O-N 2.93Å; L408-S410 PolarHBondContact O-N 3.29Å; L408-K414 WeakPolarHBondContact O-CE 3.42Å; L408-K414 VanDerWaalsContact O-CG 3.25Å; L408-K414 WeakPolarHBondContact O-CG 3.46Å; L408-L417 HydrophobicContact CD2-CD2 4.33Å
409K78.8Confident85.1Confident178 Ų17882.7 Ų82.777%0.77439%0.393SS*.G310 helixtrans-64.1-27.8171.7-68.4-177.2178.3-178.30111.7H406 L407 V411H406-K409 WeakPolarHBondContact O-CB 3.39Å; H406-K409 WeakPolarHBondContact O-CG 3.39Å; H406-K409 PolarHBondContact O-N 3.14Å; H406-K409 VanDerWaalsContact O-N 3.1Å; L407-K409 PolarHBondContact O-N 3.43Å; L407-K409 VanDerWaalsContact O-N 3.17Å; K409-V411 PolarHBondContact O-N 2.66Å
410S83.3Confident85.6Confident47 Ų4781.6 Ų81.633%0.32938%0.382SS..SBendtrans-69.7128.6177.5-1720000111.9L407 L408 W412 N413 K414L407-S410 WeakPolarHBondContact O-CB 3.47Å; L407-S410 PolarHBondContact O-N 3.44Å; L407-S410 VanDerWaalsContact O-N 3.08Å; L408-S410 PolarHBondContact O-N 3.29Å; S410-W412 PolarHBondContact O-N 3.03Å; S410-W412 VanDerWaalsContact O-N 3.13Å; S410-N413 PolarHBondContact O-N 2.71Å; S410-N413 VanDerWaalsContact O-N 3.07Å; S410-K414 PolarHBondContact O-N 2.78Å; S410-K414 VanDerWaalsContact O-N 3.16Å
411V86.3Confident86.2Confident110 Ų11083.7 Ų83.767%0.66739%0.394SS*.Hα-helixtrans-51.6-37.7177.2178.90000111.7K409 K414 L415K409-V411 PolarHBondContact O-N 2.66Å; V411-K414 PolarHBondContact O-N 3.4Å; V411-L415 PolarHBondContact O-N 3.43Å
412W86.2Confident86.7Confident63 Ų6381.3 Ų81.324%0.23938%0.382CS..Hα-helixtrans-71.5-35.1-178.1-59.1111.1000113.7S410 L415 D416 W481 R482S410-W412 PolarHBondContact O-N 3.03Å; S410-W412 VanDerWaalsContact O-N 3.13Å; W412-L415 HydrophobicContact CE3-CD2 4.04Å; W412-L415 HydrophobicContact CZ3-CD2 4.13Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 PolarHBondContact O-N 3.45Å; W412-D416 PolarHBondContact O-N 3.29Å; W412-W481 HydrophobicContact CH2-CB 4.06Å; W412-W481 AromaticContact CH2-CD1 3.71Å; W412-W481 HydrophobicContact CH2-CG 4.22Å; W412-W481 HydrophobicContact CZ3-CB 4.49Å; W412-R482 HydrophobicContact CD2-CB 3.87Å; W412-R482 HydrophobicContact CD2-CG 4.03Å; W412-R482 HydrophobicContact CE3-CB 3.84Å; W412-R482 HydrophobicContact CE3-CG 4.48Å; W412-R482 HydrophobicContact CG-CB 4.48Å; W412-R482 HydrophobicContact CG-CG 4.16Å; W412-R482 HydrophobicContact CH2-CB 4.23Å; W412-R482 HydrophobicContact CZ2-CB 4.24Å; W412-R482 HydrophobicContact CZ3-CB 4.02Å
413N86.8Confident87.2Confident14 Ų1471 Ų718%0.07534%0.343CS..Hα-helixtrans-74.6-31.2177-64.4-30.4000110.7K400 L407 S410 L415 D416 L417 R482K400-N413 PolarHBondContact NZ-OD1 2.91Å; L407-N413 WeakPolarHBondContact O-CB 3.27Å; L407-N413 PolarHBondContact O-ND2 3.45Å; S410-N413 PolarHBondContact O-N 2.71Å; S410-N413 VanDerWaalsContact O-N 3.07Å; N413-L415 VanDerWaalsContact C-N 3.34Å; N413-D416 PolarHBondContact O-N 2.95Å; N413-L417 PolarHBondContact O-N 3.07Å; N413-R482 PolarHBondContact OD1-NH1 2.9Å
414K89.1Confident87.7Confident124 Ų12465 Ų6554%0.53933%0.326SS..Hα-helixtrans-62.7-41.4167.5-64-177.6-178178.70111.5L408 S410 V411 L417 F418L408-K414 WeakPolarHBondContact O-CE 3.42Å; L408-K414 VanDerWaalsContact O-CG 3.25Å; L408-K414 WeakPolarHBondContact O-CG 3.46Å; S410-K414 PolarHBondContact O-N 2.78Å; S410-K414 VanDerWaalsContact O-N 3.16Å; V411-K414 PolarHBondContact O-N 3.4Å; K414-L417 PolarHBondContact O-N 3.01Å; K414-F418 WeakPolarHBondContact O-CB 3.34Å; K414-F418 PolarHBondContact O-N 3.28Å
415L92.1Very high88.3Confident40 Ų4064.6 Ų64.621%0.20933%0.326CS..Hα-helixtrans-63-41.9175.9-167.464.6000111.7V411 W412 N413 F418 I419 I475 R479V411-L415 PolarHBondContact O-N 3.43Å; W412-L415 HydrophobicContact CE3-CD2 4.04Å; W412-L415 HydrophobicContact CZ3-CD2 4.13Å; W412-L415 WeakPolarHBondContact O-CB 3.46Å; W412-L415 PolarHBondContact O-N 3.45Å; N413-L415 VanDerWaalsContact C-N 3.34Å; L415-F418 PolarHBondContact O-N 3.02Å; L415-I419 VanDerWaalsContact O-CG1 3.31Å; L415-I419 WeakPolarHBondContact O-CG1 3.44Å; L415-I419 PolarHBondContact O-N 2.92Å; L415-I475 HydrophobicContact CD1-CG2 3.61Å; L415-I475 HydrophobicContact CG-CG2 4.18Å; L415-R479 HydrophobicContact CD2-CB 4.09Å; L415-R479 HydrophobicContact CD2-CG 4.47Å
416D91.4Very high88.9Confident13 Ų1361.6 Ų61.67%0.0731%0.306CS..Hα-helixtrans-61.7-45.2174.4-74.7-34.4000112.1F393 L397 W412 N413 F418 I419 F420 R479F393-D416 HydrophobicContact CZ-CB 4.36Å; L397-D416 VanDerWaalsContact CD1-C 3.49Å; L397-D416 HydrophobicContact CD1-CB 3.83Å; L397-D416 WeakPolarHBondContact CD1-O 3.33Å; W412-D416 PolarHBondContact O-N 3.29Å; N413-D416 PolarHBondContact O-N 2.95Å; D416-F418 VanDerWaalsContact C-N 3.29Å; D416-F418 PolarHBondContact O-N 3.41Å; D416-I419 PolarHBondContact O-N 3.3Å; D416-F420 PolarHBondContact O-N 2.78Å; D416-R479 VanDerWaalsContact CG-NE 3.25Å; D416-R479 WeakPolarHBondContact OD1-CD 3.36Å; D416-R479 IonicContact OD1-CZ 2.69Å; D416-R479 IonicContact OD1-NE 2.76Å; D416-R479 PolarHBondContact OD1-NE 2.93Å; D416-R479 IonicContact OD1-NH2 3.49Å; D416-R479 PolarHBondContact OD1-NH2 3.36Å; D416-R479 IonicContact OD2-CZ 2.92Å; D416-R479 IonicContact OD2-NE 3.55Å; D416-R479 PolarHBondContact OD2-NE 3.17Å; D416-R479 IonicContact OD2-NH2 2.69Å; D416-R479 PolarHBondContact OD2-NH2 3.3Å
417L91.5Very high89.3Confident55 Ų5560.2 Ų60.229%0.28831%0.305SS..Hα-helixtrans-61-41.1175.5179.363.8000111.1L397 L408 N413 K414 F420 M421L397-L417 HydrophobicContact CD2-CD1 4.23Å; L408-L417 HydrophobicContact CD2-CD2 4.33Å; N413-L417 PolarHBondContact O-N 3.07Å; K414-L417 PolarHBondContact O-N 3.01Å; L417-F420 WeakPolarHBondContact O-CB 3.17Å; L417-F420 PolarHBondContact O-N 3.03Å; L417-M421 WeakPolarHBondContact O-CG 3.39Å; L417-M421 PolarHBondContact O-N 3.19Å
418F93.4Very high90.2Very high93 Ų9361.4 Ų61.441%0.40832%0.315SS..Hα-helixtrans-64.6-42.5177.1-171.2-124.2000112.3K414 L415 D416 F420 M421 V422 F471 I475K414-F418 WeakPolarHBondContact O-CB 3.34Å; K414-F418 PolarHBondContact O-N 3.28Å; L415-F418 PolarHBondContact O-N 3.02Å; D416-F418 VanDerWaalsContact C-N 3.29Å; D416-F418 PolarHBondContact O-N 3.41Å; F418-F420 VanDerWaalsContact C-N 3.3Å; F418-F420 PolarHBondContact O-N 3.47Å; F418-M421 PolarHBondContact O-N 3.44Å; F418-V422 HydrophobicContact CD2-CG2 4.43Å; F418-V422 HydrophobicContact CE1-CG2 4.34Å; F418-V422 HydrophobicContact CE2-CG2 4.2Å; F418-V422 HydrophobicContact CZ-CG2 4.16Å; F418-V422 WeakPolarHBondContact O-CG2 2.93Å; F418-V422 PolarHBondContact O-N 3.04Å; F418-F471 AromaticContact CE1-CE1 3.63Å; F418-F471 HydrophobicContact CE1-CE1 3.63Å; F418-F471 AromaticContact CE1-CZ 3.78Å; F418-F471 HydrophobicContact CE1-CZ 3.78Å; F418-F471 AromaticContact CZ-CE1 3.58Å; F418-F471 HydrophobicContact CZ-CE1 3.58Å; F418-F471 AromaticContact CZ-CZ 3.87Å; F418-F471 HydrophobicContact CZ-CZ 3.87Å; F418-I475 HydrophobicContact CD1-CD1 3.71Å; F418-I475 HydrophobicContact CD1-CG2 4.4Å; F418-I475 HydrophobicContact CE1-CD1 3.32Å; F418-I475 HydrophobicContact CE1-CG1 4.35Å; F418-I475 HydrophobicContact CZ-CD1 4.35Å
419I94.2Very high91Very high0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-56.7-45.5172.9-70.2164.3000110.4Y132 Y135 F393 L415 D416 V422 N423 L472 I475 T476 R479Y132-I419 HydrophobicContact CE2-CD1 4.38Å; Y135-I419 HydrophobicContact CE1-CG2 4.19Å; F393-I419 HydrophobicContact CE1-CG2 4.17Å; F393-I419 HydrophobicContact CZ-CG2 4.39Å; L415-I419 VanDerWaalsContact O-CG1 3.31Å; L415-I419 WeakPolarHBondContact O-CG1 3.44Å; L415-I419 PolarHBondContact O-N 2.92Å; D416-I419 PolarHBondContact O-N 3.3Å; I419-V422 PolarHBondContact O-N 3.42Å; I419-N423 PolarHBondContact O-N 3.22Å; I419-N423 PolarHBondContact O-ND2 2.99Å; I419-L472 HydrophobicContact CG2-CD1 4.03Å; I419-I475 HydrophobicContact CD1-CG2 4Å; I419-I475 HydrophobicContact CG1-CB 4.48Å; I419-I475 HydrophobicContact CG1-CG2 3.48Å; I419-I475 VanDerWaalsContact CG1-CG2 3.48Å; I419-T476 HydrophobicContact CD1-CG2 4.12Å; I419-T476 HydrophobicContact CG1-CG2 4.2Å; I419-T476 HydrophobicContact CG2-CG2 3.96Å; I419-R479 HydrophobicContact CD1-CB 3.94Å; I419-R479 HydrophobicContact CD1-CG 3.91Å
420F93.3Very high91.5Very high58 Ų5853.5 Ų53.525%0.25428%0.283SS..Hα-helixtrans-59.8-48176.9172.9-99.9000112.1F390 A394 L397 D416 L417 F418 V422 N423 V424F390-F420 HydrophobicContact CE2-CD2 4.25Å; F390-F420 AromaticContact CZ-CD2 3.93Å; F390-F420 HydrophobicContact CZ-CD2 3.93Å; F390-F420 HydrophobicContact CZ-CE2 4.1Å; A394-F420 HydrophobicContact CB-CD2 3.86Å; A394-F420 HydrophobicContact CB-CE2 3.65Å; L397-F420 HydrophobicContact CD1-CB 4.12Å; D416-F420 PolarHBondContact O-N 2.78Å; L417-F420 WeakPolarHBondContact O-CB 3.17Å; L417-F420 PolarHBondContact O-N 3.03Å; F418-F420 VanDerWaalsContact C-N 3.3Å; F418-F420 PolarHBondContact O-N 3.47Å; F420-V422 VanDerWaalsContact C-N 3.35Å; F420-V422 PolarHBondContact O-N 3.25Å; F420-N423 WeakPolarHBondContact O-CB 3.46Å; F420-N423 PolarHBondContact O-N 3.35Å; F420-V424 HydrophobicContact CE1-CG2 4.06Å; F420-V424 HydrophobicContact CE2-CG2 4.1Å; F420-V424 HydrophobicContact CZ-CG2 3.83Å; F420-V424 WeakPolarHBondContact O-CG2 3.36Å; F420-V424 PolarHBondContact O-N 3.41Å
421M94.3Very high91.9Very high108 Ų10855.7 Ų55.753%0.53229%0.294SS..Hα-helixtrans-61.2-41178.6-67-58.5-68.100112.6L417 F418 V424 L425L417-M421 WeakPolarHBondContact O-CG 3.39Å; L417-M421 PolarHBondContact O-N 3.19Å; F418-M421 PolarHBondContact O-N 3.44Å; M421-V424 PolarHBondContact O-N 3.4Å; M421-L425 WeakPolarHBondContact O-CB 3.32Å; M421-L425 PolarHBondContact O-N 3.27Å
422V95.5Very high92.1Very high10 Ų1054.4 Ų54.46%0.06128%0.283CS..Hα-helixtrans-66.3-37.7177176.30000111.2F418 I419 F420 L425 V426 F471 L472F418-V422 HydrophobicContact CD2-CG2 4.43Å; F418-V422 HydrophobicContact CE1-CG2 4.34Å; F418-V422 HydrophobicContact CE2-CG2 4.2Å; F418-V422 HydrophobicContact CZ-CG2 4.16Å; F418-V422 WeakPolarHBondContact O-CG2 2.93Å; F418-V422 PolarHBondContact O-N 3.04Å; I419-V422 PolarHBondContact O-N 3.42Å; F420-V422 VanDerWaalsContact C-N 3.35Å; F420-V422 PolarHBondContact O-N 3.25Å; V422-L425 WeakPolarHBondContact O-CB 3.29Å; V422-L425 PolarHBondContact O-N 2.99Å; V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 3.2Å; V422-F471 HydrophobicContact CG1-CD1 4.48Å; V422-F471 HydrophobicContact CG2-CD1 4.38Å; V422-F471 HydrophobicContact CG2-CE1 4.31Å; V422-L472 HydrophobicContact CB-CD1 4.32Å; V422-L472 HydrophobicContact CG1-CB 3.86Å; V422-L472 HydrophobicContact CG1-CD1 4.08Å; V422-L472 HydrophobicContact CG1-CG 4.47Å
423N94Very high92.3Very high5 Ų552.1 Ų52.13%0.02727%0.274CS..Hα-helixtrans-62.2-45.5173.6-84.4-82.1000112.3Y135 Y386 F390 I419 F420 L425 V426 V427 L472Y135-N423 PolarHBondContact OH-ND2 2.69Å; Y135-N423 PolarHBondContact OH-OD1 3.49Å; Y386-N423 PolarHBondContact OH-OD1 3.5Å; F390-N423 HydrophobicContact CD2-CB 4.22Å; F390-N423 HydrophobicContact CE1-CB 4.39Å; F390-N423 HydrophobicContact CE2-CB 3.31Å; F390-N423 VanDerWaalsContact CE2-CG 3.42Å; F390-N423 HydrophobicContact CZ-CB 3.42Å; F390-N423 VanDerWaalsContact CZ-CB 3.42Å; I419-N423 PolarHBondContact O-N 3.22Å; I419-N423 PolarHBondContact O-ND2 2.99Å; F420-N423 WeakPolarHBondContact O-CB 3.46Å; F420-N423 PolarHBondContact O-N 3.35Å; N423-L425 VanDerWaalsContact C-N 3.29Å; N423-L425 PolarHBondContact O-N 3.19Å; N423-V426 PolarHBondContact O-N 3.23Å; N423-V427 WeakPolarHBondContact O-CG2 3.31Å; N423-V427 PolarHBondContact O-N 3.01Å; N423-L472 WeakPolarHBondContact ND2-CD1 3.2Å; N423-L472 WeakPolarHBondContact OD1-CD2 3.36Å
424V93.2Very high92.4Very high58 Ų5854.5 Ų54.535%0.35229%0.285SS..Hα-helixtrans-60.1-43.5176.3174.90000110.3F420 M421 V426 V427 V428F420-V424 HydrophobicContact CE1-CG2 4.06Å; F420-V424 HydrophobicContact CE2-CG2 4.1Å; F420-V424 HydrophobicContact CZ-CG2 3.83Å; F420-V424 WeakPolarHBondContact O-CG2 3.36Å; F420-V424 PolarHBondContact O-N 3.41Å; M421-V424 PolarHBondContact O-N 3.4Å; V424-V426 VanDerWaalsContact C-N 3.35Å; V424-V426 PolarHBondContact O-N 3.17Å; V424-V427 PolarHBondContact O-N 3.1Å; V424-V428 WeakPolarHBondContact O-CG2 3.4Å; V424-V428 PolarHBondContact O-N 3.01Å
425L95.3Very high92.4Very high83 Ų8351.8 Ų51.844%0.43528%0.282SS..Hα-helixtrans-58.6-44.3175179.864.4000111.9M421 V422 N423 V427 V428 L429 T468M421-L425 WeakPolarHBondContact O-CB 3.32Å; M421-L425 PolarHBondContact O-N 3.27Å; V422-L425 WeakPolarHBondContact O-CB 3.29Å; V422-L425 PolarHBondContact O-N 2.99Å; N423-L425 VanDerWaalsContact C-N 3.29Å; N423-L425 PolarHBondContact O-N 3.19Å; L425-V427 PolarHBondContact O-N 3.31Å; L425-V428 PolarHBondContact O-N 3.06Å; L425-L429 HydrophobicContact CD1-CD1 4.34Å; L425-L429 HydrophobicContact CD1-CG 4.22Å; L425-L429 HydrophobicContact CG-CD1 4.05Å; L425-L429 HydrophobicContact CG-CG 4.35Å; L425-L429 WeakPolarHBondContact O-CB 3.31Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.44Å; L425-L429 PolarHBondContact O-N 3.11Å; L425-T468 HydrophobicContact CD2-CG2 4.25Å
426V94.1Very high92.2Very high18 Ų1850.8 Ų50.811%0.10928%0.276CS..Hα-helixtrans-60-45.3176.8169.50000111V422 N423 V424 V428 L429 V430 I469V422-V426 WeakPolarHBondContact O-CG2 3.45Å; V422-V426 PolarHBondContact O-N 3.2Å; N423-V426 PolarHBondContact O-N 3.23Å; V424-V426 VanDerWaalsContact C-N 3.35Å; V424-V426 PolarHBondContact O-N 3.17Å; V426-V428 PolarHBondContact O-N 3.22Å; V426-L429 PolarHBondContact O-N 2.86Å; V426-V430 HydrophobicContact CG1-CG2 4.4Å; V426-V430 VanDerWaalsContact O-CG2 3.3Å; V426-V430 WeakPolarHBondContact O-CG2 3.39Å; V426-V430 PolarHBondContact O-N 3.15Å; V426-I469 HydrophobicContact CG1-CD1 4.25Å; V426-I469 HydrophobicContact CG1-CG1 3.85Å; V426-I469 HydrophobicContact CG2-CG1 4.11Å
427V91.7Very high92.1Very high85 Ų8550.4 Ų50.452%0.51528%0.275SS..Hα-helixtrans-60.4-45.4177.2175.20000111N423 V424 L425 V430 V431N423-V427 WeakPolarHBondContact O-CG2 3.31Å; N423-V427 PolarHBondContact O-N 3.01Å; V424-V427 PolarHBondContact O-N 3.1Å; L425-V427 PolarHBondContact O-N 3.31Å; V427-V430 PolarHBondContact O-N 3.02Å; V427-V431 WeakPolarHBondContact O-CG2 3.48Å; V427-V431 PolarHBondContact O-N 2.83Å
428V93.4Very high91.9Very high72 Ų7250.3 Ų50.344%0.43628%0.282SS..Hα-helixtrans-61.1-46177.1172.20000111.1V424 L425 V426 V430 V431 L432V424-V428 WeakPolarHBondContact O-CG2 3.4Å; V424-V428 PolarHBondContact O-N 3.01Å; L425-V428 PolarHBondContact O-N 3.06Å; V426-V428 PolarHBondContact O-N 3.22Å; V428-V430 PolarHBondContact O-N 2.87Å; V428-V431 PolarHBondContact O-N 3.1Å; V428-L432 HydrophobicContact CG1-CD1 3.83Å; V428-L432 HydrophobicContact CG1-CG 4.28Å; V428-L432 WeakPolarHBondContact O-CB 3.47Å; V428-L432 VanDerWaalsContact O-CG 3.28Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 3.35Å
429L93Very high91.6Very high14 Ų1448.8 Ų48.87%0.07328%0.283CS..Hα-helixtrans-62.4-40.7178.8-72.2176000112.4L425 V426 L432 R433 L464 T468L425-L429 HydrophobicContact CD1-CD1 4.34Å; L425-L429 HydrophobicContact CD1-CG 4.22Å; L425-L429 HydrophobicContact CG-CD1 4.05Å; L425-L429 HydrophobicContact CG-CG 4.35Å; L425-L429 WeakPolarHBondContact O-CB 3.31Å; L425-L429 VanDerWaalsContact O-CG 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.44Å; L425-L429 PolarHBondContact O-N 3.11Å; V426-L429 PolarHBondContact O-N 2.86Å; L429-L432 PolarHBondContact O-N 3.27Å; L429-R433 VanDerWaalsContact O-CB 3.26Å; L429-R433 WeakPolarHBondContact O-CB 3.41Å; L429-R433 PolarHBondContact O-N 3.05Å; L429-L464 HydrophobicContact CD1-CD2 4.36Å; L429-L464 HydrophobicContact CD1-CG 4.16Å; L429-L464 HydrophobicContact CD2-CD2 3.83Å; L429-L464 HydrophobicContact CD2-CG 4.47Å; L429-T468 HydrophobicContact CD1-CG2 3.85Å
430V90.1Very high91.1Very high54 Ų5449.5 Ų49.533%0.32729%0.286SS..Hα-helixtrans-62.8-47.9175.2171.40000110.6V426 V427 V428 L432 R433 E434 T465V426-V430 HydrophobicContact CG1-CG2 4.4Å; V426-V430 VanDerWaalsContact O-CG2 3.3Å; V426-V430 WeakPolarHBondContact O-CG2 3.39Å; V426-V430 PolarHBondContact O-N 3.15Å; V427-V430 PolarHBondContact O-N 3.02Å; V428-V430 PolarHBondContact O-N 2.87Å; V430-L432 VanDerWaalsContact C-N 3.35Å; V430-L432 PolarHBondContact O-N 2.93Å; V430-R433 WeakPolarHBondContact O-CB 3.38Å; V430-R433 PolarHBondContact O-N 2.83Å; V430-E434 HydrophobicContact CG1-CG 4.38Å; V430-E434 WeakPolarHBondContact O-CG 3.44Å; V430-E434 PolarHBondContact O-N 2.84Å; V430-T465 HydrophobicContact CG2-CG2 3.73Å
431V90.9Very high90.7Very high93 Ų9348.1 Ų48.156%0.56428%0.281SS*.Hα-helixtrans-62.4-41.7178.8173.20000111.6V427 V428 E434 S435V427-V431 WeakPolarHBondContact O-CG2 3.48Å; V427-V431 PolarHBondContact O-N 2.83Å; V428-V431 PolarHBondContact O-N 3.1Å; V431-E434 PolarHBondContact O-N 3.27Å; V431-S435 WeakPolarHBondContact O-CB 3.27Å; V431-S435 PolarHBondContact O-N 2.87Å; V431-S435 PolarHBondContact O-OG 3.23Å; V431-S435 VanDerWaalsContact O-OG 3.11Å
432L90.9Very high90.2Very high83 Ų8350.3 Ų50.344%0.43529%0.288SS..Hα-helixtrans-64.6-42.5175.6-71.3175.7000111.6V428 L429 V430 S435 L436V428-L432 HydrophobicContact CG1-CD1 3.83Å; V428-L432 HydrophobicContact CG1-CG 4.28Å; V428-L432 WeakPolarHBondContact O-CB 3.47Å; V428-L432 VanDerWaalsContact O-CG 3.28Å; V428-L432 WeakPolarHBondContact O-CG 3.49Å; V428-L432 PolarHBondContact O-N 3.35Å; L429-L432 PolarHBondContact O-N 3.27Å; V430-L432 VanDerWaalsContact C-N 3.35Å; V430-L432 PolarHBondContact O-N 2.93Å; L432-S435 WeakPolarHBondContact CA-OG 3.48Å; L432-S435 PolarHBondContact O-N 3.34Å; L432-S435 PolarHBondContact O-OG 3.24Å; L432-L436 WeakPolarHBondContact O-CB 3.47Å; L432-L436 PolarHBondContact O-N 2.94Å
433R90.2Very high89.6Confident14 Ų1455.1 Ų55.15%0.05331%0.307CS..Hα-helixtrans-58.6-52.4174.5177.7-154157-143.4-5.6110.8K367 L368 L429 V430 S435 L436 V437 M461K367-R433 PolarHBondContact O-NH2 3.28Å; L368-R433 PolarHBondContact O-NH2 2.9Å; L429-R433 VanDerWaalsContact O-CB 3.26Å; L429-R433 WeakPolarHBondContact O-CB 3.41Å; L429-R433 PolarHBondContact O-N 3.05Å; V430-R433 WeakPolarHBondContact O-CB 3.38Å; V430-R433 PolarHBondContact O-N 2.83Å; R433-S435 VanDerWaalsContact C-N 3.35Å; R433-S435 PolarHBondContact O-N 3.33Å; R433-L436 PolarHBondContact O-N 3.37Å; R433-V437 HydrophobicContact CG-CG2 4.43Å; R433-V437 WeakPolarHBondContact O-CG2 3.39Å; R433-V437 PolarHBondContact O-N 2.94Å; R433-M461 HydrophobicContact CB-CB 4.24Å; R433-M461 HydrophobicContact CG-CB 4.42Å
434E88.4Confident89Confident65 Ų6557.2 Ų57.230%0.30432%0.32SS..Hα-helixtrans-62.8-40.9-177.8-66.8-49.3140.800111.8V430 V431 L436 V437 A438V430-E434 HydrophobicContact CG1-CG 4.38Å; V430-E434 WeakPolarHBondContact O-CG 3.44Å; V430-E434 PolarHBondContact O-N 2.84Å; V431-E434 PolarHBondContact O-N 3.27Å; E434-L436 VanDerWaalsContact C-N 3.33Å; E434-L436 PolarHBondContact O-N 3.49Å; E434-V437 PolarHBondContact O-N 3.34Å; E434-A438 WeakPolarHBondContact O-CB 3.49Å; E434-A438 PolarHBondContact O-N 3.5Å
435S89.4Confident88.3Confident67 Ų6762.4 Ų62.447%0.46934%0.341SS..Hα-helixtrans-64.8-36.4176.1630000112.7V431 L432 R433 S439V431-S435 WeakPolarHBondContact O-CB 3.27Å; V431-S435 PolarHBondContact O-N 2.87Å; V431-S435 PolarHBondContact O-OG 3.23Å; V431-S435 VanDerWaalsContact O-OG 3.11Å; L432-S435 WeakPolarHBondContact CA-OG 3.48Å; L432-S435 PolarHBondContact O-N 3.34Å; L432-S435 PolarHBondContact O-OG 3.24Å; R433-S435 VanDerWaalsContact C-N 3.35Å; R433-S435 PolarHBondContact O-N 3.33Å; S435-S439 WeakPolarHBondContact O-CB 3.44Å; S435-S439 PolarHBondContact O-N 2.86Å; S435-S439 VanDerWaalsContact O-N 3.08Å
436L88.2Confident87.5Confident18 Ų1861.6 Ų61.69%0.09435%0.353CS..Hα-helixtrans-67.9-47.4175-162.5163.2000111.1L275 L279 L432 R433 E434 A438 S439 M440 R457 P458 M461L275-L436 HydrophobicContact CD2-CD1 4.17Å; L279-L436 HydrophobicContact CD1-CD1 4.22Å; L432-L436 WeakPolarHBondContact O-CB 3.47Å; L432-L436 PolarHBondContact O-N 2.94Å; R433-L436 PolarHBondContact O-N 3.37Å; E434-L436 VanDerWaalsContact C-N 3.33Å; E434-L436 PolarHBondContact O-N 3.49Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 3.47Å; L436-S439 WeakPolarHBondContact O-CB 3.45Å; L436-S439 PolarHBondContact O-N 3.03Å; L436-M440 HydrophobicContact CD2-CE 4.08Å; L436-M440 HydrophobicContact CD2-CG 3.8Å; L436-M440 WeakPolarHBondContact O-CG 3.48Å; L436-M440 PolarHBondContact O-N 3.44Å; L436-R457 HydrophobicContact CD1-CB 4.15Å; L436-R457 HydrophobicContact CD2-CB 4.11Å; L436-P458 HydrophobicContact CD2-CB 3.79Å; L436-P458 VanDerWaalsContact CD2-CD 3.49Å; L436-P458 HydrophobicContact CD2-CG 3.97Å; L436-M461 HydrophobicContact CD1-CG 4.47Å
437V88.6Confident86.4Confident6 Ų662.2 Ų62.24%0.03636%0.36CS..Hα-helixtrans-58.6-47.2176.6172.80000110.3L368 R433 E434 S439 M440 M441 P458L368-V437 HydrophobicContact CB-CG1 4.37Å; L368-V437 HydrophobicContact CB-CG2 4.26Å; L368-V437 HydrophobicContact CD2-CG2 4.32Å; R433-V437 HydrophobicContact CG-CG2 4.43Å; R433-V437 WeakPolarHBondContact O-CG2 3.39Å; R433-V437 PolarHBondContact O-N 2.94Å; E434-V437 PolarHBondContact O-N 3.34Å; V437-S439 VanDerWaalsContact C-N 3.3Å; V437-S439 PolarHBondContact O-N 3.17Å; V437-M440 PolarHBondContact O-N 2.92Å; V437-M440 VanDerWaalsContact O-N 3.12Å; V437-M441 HydrophobicContact CG1-CE 4.02Å; V437-M441 HydrophobicContact CG1-CG 4.14Å; V437-M441 WeakPolarHBondContact O-CG 3.2Å; V437-M441 PolarHBondContact O-N 2.79Å; V437-P458 HydrophobicContact CG2-CB 3.71Å
438A88.2Confident85.2Confident52 Ų5261.3 Ų61.343%0.4336%0.357SS..Hα-helixtrans-60-39.1178.100000112.7E434 L436 K442E434-A438 WeakPolarHBondContact O-CB 3.49Å; E434-A438 PolarHBondContact O-N 3.5Å; L436-A438 VanDerWaalsContact C-N 3.34Å; L436-A438 PolarHBondContact O-N 3.47Å; A438-K442 WeakPolarHBondContact O-CG 3.38Å; A438-K442 PolarHBondContact O-N 3.02Å
439S86.5Confident83.9Confident62 Ų6266.4 Ų66.443%0.43437%0.373SS..Hα-helixtrans-64.8-42.1174.2-176.20000112.1S435 L436 V437 K443S435-S439 WeakPolarHBondContact O-CB 3.44Å; S435-S439 PolarHBondContact O-N 2.86Å; S435-S439 VanDerWaalsContact O-N 3.08Å; L436-S439 WeakPolarHBondContact O-CB 3.45Å; L436-S439 PolarHBondContact O-N 3.03Å; V437-S439 VanDerWaalsContact C-N 3.3Å; V437-S439 PolarHBondContact O-N 3.17Å; S439-K443 PolarHBondContact O-N 3.4Å
440M84.7Confident82.6Confident14 Ų1469.2 Ų69.27%0.06939%0.387CS..Hα-helixtrans-69.8-38.7178.4-67.8-60.7-179.600112.5L436 V437 K442 K443 V444L436-M440 HydrophobicContact CD2-CE 4.08Å; L436-M440 HydrophobicContact CD2-CG 3.8Å; L436-M440 WeakPolarHBondContact O-CG 3.48Å; L436-M440 PolarHBondContact O-N 3.44Å; V437-M440 PolarHBondContact O-N 2.92Å; V437-M440 VanDerWaalsContact O-N 3.12Å; M440-K442 VanDerWaalsContact C-N 3.33Å; M440-K442 PolarHBondContact O-N 2.68Å; M440-K443 WeakPolarHBondContact O-CA 3.5Å; M440-K443 WeakPolarHBondContact O-CB 3.32Å; M440-K443 PolarHBondContact O-N 3.09Å; M440-K443 HydrophobicContact SD-CD 4.06Å; M440-V444 VanDerWaalsContact O-CG2 3.26Å; M440-V444 WeakPolarHBondContact O-CG2 3.34Å; M440-V444 PolarHBondContact O-N 2.84Å
441M84.3Confident82Confident30 Ų3071.9 Ų71.915%0.14840%0.396CS..Hα-helixtrans-62.9-39.9176.8-67.2-56.8160.700111.8F342 L369 V437 K443 V444 E445 F455F342-M441 HydrophobicContact CE1-CE 3.84Å; F342-M441 HydrophobicContact CE2-CE 4.29Å; F342-M441 HydrophobicContact CZ-CE 3.53Å; L369-M441 HydrophobicContact CD1-CG 4.26Å; V437-M441 HydrophobicContact CG1-CE 4.02Å; V437-M441 HydrophobicContact CG1-CG 4.14Å; V437-M441 WeakPolarHBondContact O-CG 3.2Å; V437-M441 PolarHBondContact O-N 2.79Å; M441-K443 VanDerWaalsContact C-N 3.27Å; M441-K443 PolarHBondContact O-N 3.39Å; M441-V444 WeakPolarHBondContact O-CB 3.5Å; M441-V444 PolarHBondContact O-N 3.13Å; M441-V444 VanDerWaalsContact O-N 3.11Å; M441-E445 WeakPolarHBondContact O-CG 3.3Å; M441-E445 PolarHBondContact O-N 2.94Å; M441-F455 HydrophobicContact CE-CE1 3.82Å
442K84.7Confident81.6Confident154 Ų15469 Ų6967%0.6738%0.376SS*.Hα-helixtrans-60.8-36171.8-71.5178.5-179.2-177.10112.7A438 M440 G446A438-K442 WeakPolarHBondContact O-CG 3.38Å; A438-K442 PolarHBondContact O-N 3.02Å; M440-K442 VanDerWaalsContact C-N 3.33Å; M440-K442 PolarHBondContact O-N 2.68Å; K442-G446 PolarHBondContact O-N 2.94Å
443K81Confident81.1Confident110 Ų11066.1 Ų66.148%0.47836%0.36SS..Hα-helixtrans-67.7-40173.6-69.3-179.2-178.5-1760111.5S439 M440 M441 G446 A447S439-K443 PolarHBondContact O-N 3.4Å; M440-K443 WeakPolarHBondContact O-CA 3.5Å; M440-K443 WeakPolarHBondContact O-CB 3.32Å; M440-K443 PolarHBondContact O-N 3.09Å; M440-K443 HydrophobicContact SD-CD 4.06Å; M441-K443 VanDerWaalsContact C-N 3.27Å; M441-K443 PolarHBondContact O-N 3.39Å; K443-G446 CarbonylContact O-C 3.55Å; K443-G446 PolarHBondContact O-N 2.85Å; K443-A447 WeakPolarHBondContact O-CA 3.43Å; K443-A447 VanDerWaalsContact O-CB 3.23Å; K443-A447 WeakPolarHBondContact O-CB 3.47Å; K443-A447 PolarHBondContact O-N 2.93Å
444V81.4Confident80.8Confident49 Ų4966.8 Ų66.830%0.29737%0.365SS..Hα-helixtrans-61.9-42.8177178.10000111.4M440 M441 G446 A447 I453 F455M440-V444 VanDerWaalsContact O-CG2 3.26Å; M440-V444 WeakPolarHBondContact O-CG2 3.34Å; M440-V444 PolarHBondContact O-N 2.84Å; M441-V444 WeakPolarHBondContact O-CB 3.5Å; M441-V444 PolarHBondContact O-N 3.13Å; M441-V444 VanDerWaalsContact O-N 3.11Å; V444-G446 VanDerWaalsContact C-N 3.28Å; V444-G446 PolarHBondContact O-N 2.87Å; V444-A447 PolarHBondContact O-N 3.15Å; V444-I453 HydrophobicContact CB-CD1 4.01Å; V444-I453 HydrophobicContact CG1-CD1 4.15Å; V444-I453 HydrophobicContact CG2-CD1 3.55Å; V444-I453 HydrophobicContact CG2-CG2 3.95Å; V444-F455 HydrophobicContact CG2-CE1 4.35Å; V444-F455 HydrophobicContact CG2-CE2 4.37Å; V444-F455 HydrophobicContact CG2-CZ 3.59Å
445E80.2Confident80.7Confident168 Ų16863.8 Ų63.879%0.78535%0.351SS*.Hα-helixtrans-61.7-35176.8-72.1173.7-177.100112.7M441M441-E445 WeakPolarHBondContact O-CG 3.3Å; M441-E445 PolarHBondContact O-N 2.94Å
446G77.1Confident80.7Confident66 Ų6661.3 Ų61.368%0.6833%0.331SS*.Hα-helixtrans-93.4-8.7178.700000115.4K442 K443 V444K442-G446 PolarHBondContact O-N 2.94Å; K443-G446 CarbonylContact O-C 3.55Å; K443-G446 PolarHBondContact O-N 2.85Å; V444-G446 VanDerWaalsContact C-N 3.28Å; V444-G446 PolarHBondContact O-N 2.87Å
447A72.1Confident80.5Confident31 Ų3162.5 Ų62.526%0.25634%0.335SS..  trans-69.5135.5-170.900000111.5K443 V444 I453K443-A447 WeakPolarHBondContact O-CA 3.43Å; K443-A447 VanDerWaalsContact O-CB 3.23Å; K443-A447 WeakPolarHBondContact O-CB 3.47Å; K443-A447 PolarHBondContact O-N 2.93Å; V444-A447 PolarHBondContact O-N 3.15Å; A447-I453 HydrophobicContact CB-CD1 3.92Å
448S66.5Low80.5Confident66 Ų6662.2 Ų62.246%0.46233%0.333SS..  trans-67.5152.1170.775.90000110.2M450 E451S448-M450 PolarHBondContact O-N 3.23Å; S448-E451 PolarHBondContact O-N 3.04Å
449K65.3Low80.6Confident178 Ų17859.9 Ų59.977%0.77431%0.314SS*.THydrogen-bonded Turntrans-55.5-3.7-174.6-67-176.9179.5-179.40116.5
450M66.8Low80.7Confident73 Ų7358.8 Ų58.836%0.3630%0.3SS..THydrogen-bonded Turntrans-126.714.8-171.4-58.1-68.1-82.100113.4A302 S448A302-M450 HydrophobicContact CB-CE 3.89Å; S448-M450 PolarHBondContact O-N 3.23Å
451E76.8Confident81Confident111 Ų11158.9 Ų58.952%0.51930%0.3SS..  trans-100135.7-178.9-161.9171.1179.100111.7S448S448-E451 PolarHBondContact O-N 3.04Å
452F81.6Confident81.3Confident32 Ų3258.7 Ų58.714%0.1430%0.299CS..  trans-80.6121.1173.9177.1-96.7000109.9V216 R218 L300 D331 D454V216-F452 HydrophobicContact CG2-CB 4.08Å; V216-F452 VanDerWaalsContact O-CD2 3.32Å; V216-F452 WeakPolarHBondContact O-CD2 3.32Å; R218-F452 HydrophobicContact CB-CD2 3.57Å; R218-F452 HydrophobicContact CB-CE2 3.69Å; R218-F452 HydrophobicContact CB-CG 4.01Å; R218-F452 HydrophobicContact CB-CZ 4.21Å; L300-F452 HydrophobicContact CD1-CB 4.45Å; L300-F452 HydrophobicContact CD2-CB 3.8Å; L300-F452 HydrophobicContact CD2-CG 4.46Å; D331-F452 HydrophobicContact CB-CE2 4.28Å; D331-F452 HydrophobicContact CB-CZ 4.01Å; D331-F452 WeakPolarHBondContact O-CE2 3.3Å; F452-D454 HydrophobicContact CD1-CB 4.25Å; F452-D454 HydrophobicContact CE1-CB 3.72Å
453I82.1Confident81.5Confident22 Ų2254.4 Ų54.411%0.11328%0.282CS..  trans-100.7111-179.6-53.2179.2000108.4V444 A447 F455V444-I453 HydrophobicContact CB-CD1 4.01Å; V444-I453 HydrophobicContact CG1-CD1 4.15Å; V444-I453 HydrophobicContact CG2-CD1 3.55Å; V444-I453 HydrophobicContact CG2-CG2 3.95Å; A447-I453 HydrophobicContact CB-CD1 3.92Å; I453-F455 HydrophobicContact CB-CD2 4.33Å; I453-F455 HydrophobicContact CB-CE2 3.92Å; I453-F455 HydrophobicContact CG2-CD2 3.99Å; I453-F455 HydrophobicContact CG2-CE2 3.56Å; I453-F455 HydrophobicContact CG2-CZ 3.88Å; I453-F455 WeakPolarHBondContact O-CD2 3.44Å; I453-F455 PolarHBondContact O-N 3.42Å; I453-F455 VanDerWaalsContact O-N 3.11Å
454D82.9Confident82Confident28 Ų2852.8 Ų52.815%0.1528%0.277CS..  trans-82.590.7-174.4-158.2-19.2000112.1R218 M280 F452 R456R218-D454 IonicContact NH1-OD2 3.2Å; R218-D454 PolarHBondContact NH1-OD2 3.42Å; M280-D454 WeakPolarHBondContact CE-OD2 3.32Å; F452-D454 HydrophobicContact CD1-CB 4.25Å; F452-D454 HydrophobicContact CE1-CB 3.72Å; D454-R456 VanDerWaalsContact C-N 3.25Å; D454-R456 PolarHBondContact O-N 3.4Å; D454-R456 VanDerWaalsContact OD1-CB 3.25Å; D454-R456 WeakPolarHBondContact OD1-CB 3.35Å; D454-R456 WeakPolarHBondContact OD1-CG 3.26Å; D454-R456 IonicContact OD1-CZ 3.55Å; D454-R456 PolarHBondContact OD1-N 2.97Å; D454-R456 IonicContact OD1-NE 3.59Å; D454-R456 PolarHBondContact OD1-NE 2.91Å; D454-R456 IonicContact OD1-NH2 3.29Å; D454-R456 IonicContact OD2-CZ 3.43Å; D454-R456 IonicContact OD2-NE 3.29Å; D454-R456 PolarHBondContact OD2-NE 3.35Å; D454-R456 IonicContact OD2-NH2 3.46Å; D454-R456 PolarHBondContact OD2-NH2 2.94Å
455F87.3Confident82.5Confident3 Ų350.8 Ų50.81%0.01327%0.265CS..THydrogen-bonded Turntrans-80.24.7175.2-69.8-84.1000114.2L214 T333 F342 I344 L368 M441 V444 I453 R457 P458 S459L214-F455 HydrophobicContact CD1-CE2 4.17Å; L214-F455 HydrophobicContact CD1-CZ 4.34Å; T333-F455 HydrophobicContact CG2-CB 3.79Å; T333-F455 HydrophobicContact CG2-CD2 3.68Å; T333-F455 HydrophobicContact CG2-CG 4.16Å; F342-F455 HydrophobicContact CD1-CE1 4.47Å; F342-F455 HydrophobicContact CE1-CE1 4.24Å; F342-F455 HydrophobicContact CE1-CZ 4.32Å; I344-F455 HydrophobicContact CD1-CB 3.92Å; I344-F455 WeakPolarHBondContact CD1-O 3.3Å; I344-F455 HydrophobicContact CG1-CB 4Å; L368-F455 HydrophobicContact CD1-CD1 3.92Å; M441-F455 HydrophobicContact CE-CE1 3.82Å; V444-F455 HydrophobicContact CG2-CE1 4.35Å; V444-F455 HydrophobicContact CG2-CE2 4.37Å; V444-F455 HydrophobicContact CG2-CZ 3.59Å; I453-F455 HydrophobicContact CB-CD2 4.33Å; I453-F455 HydrophobicContact CB-CE2 3.92Å; I453-F455 HydrophobicContact CG2-CD2 3.99Å; I453-F455 HydrophobicContact CG2-CE2 3.56Å; I453-F455 HydrophobicContact CG2-CZ 3.88Å; I453-F455 WeakPolarHBondContact O-CD2 3.44Å; I453-F455 PolarHBondContact O-N 3.42Å; I453-F455 VanDerWaalsContact O-N 3.11Å; F455-R457 VanDerWaalsContact C-N 3.27Å; F455-R457 PolarHBondContact O-N 2.88Å; F455-P458 HydrophobicContact CB-CG 4.3Å; F455-P458 HydrophobicContact CD1-CG 4.18Å; F455-P458 WeakPolarHBondContact O-CD 3.37Å; F455-P458 VanDerWaalsContact O-CG 3.23Å; F455-P458 WeakPolarHBondContact O-CG 3.4Å; F455-S459 PolarHBondContact O-N 2.63Å
456R87.8Confident83.1Confident14 Ų1444.9 Ų44.95%0.05324%0.241CC..Hα-helixtrans-62.6-35.7175.8-67.3177.1-61.8167.818.1111.8M280 E293 D331 I344 D454 S459 R460M280-R456 HydrophobicContact CE-CB 4.21Å; M280-R456 HydrophobicContact SD-CB 4.36Å; E293-R456 WeakPolarHBondContact OE1-CD 3.28Å; E293-R456 IonicContact OE1-CZ 3.47Å; E293-R456 IonicContact OE1-NE 2.71Å; E293-R456 PolarHBondContact OE1-NE 3.42Å; E293-R456 IonicContact OE1-NH1 3.46Å; E293-R456 PolarHBondContact OE1-NH1 3.24Å; E293-R456 IonicContact OE1-NH2 2.65Å; D331-R456 IonicContact OD2-NH1 3.81Å; I344-R456 HydrophobicContact CG2-CG 3.69Å; D454-R456 VanDerWaalsContact C-N 3.25Å; D454-R456 PolarHBondContact O-N 3.4Å; D454-R456 VanDerWaalsContact OD1-CB 3.25Å; D454-R456 WeakPolarHBondContact OD1-CB 3.35Å; D454-R456 WeakPolarHBondContact OD1-CG 3.26Å; D454-R456 IonicContact OD1-CZ 3.55Å; D454-R456 PolarHBondContact OD1-N 2.97Å; D454-R456 IonicContact OD1-NE 3.59Å; D454-R456 PolarHBondContact OD1-NE 2.91Å; D454-R456 IonicContact OD1-NH2 3.29Å; D454-R456 IonicContact OD2-CZ 3.43Å; D454-R456 IonicContact OD2-NE 3.29Å; D454-R456 PolarHBondContact OD2-NE 3.35Å; D454-R456 IonicContact OD2-NH2 3.46Å; D454-R456 PolarHBondContact OD2-NH2 2.94Å; R456-S459 PolarHBondContact O-N 2.97Å; R456-R460 WeakPolarHBondContact O-CB 3.45Å; R456-R460 WeakPolarHBondContact O-CG 3.49Å; R456-R460 PolarHBondContact O-N 2.89Å
457R85.3Confident83.9Confident44 Ų4447.4 Ų47.417%0.16624%0.238CC..Hα-helixtrans-56.2-58.5177-61.7-178.1-155.1-171.91.1113.2E273 D276 M280 L436 F455 S459 R460 M461E273-R457 IonicContact OE2-NH1 3.6Å; D276-R457 IonicContact OD1-CZ 3.99Å; D276-R457 IonicContact OD1-NE 3.4Å; D276-R457 PolarHBondContact OD1-NE 2.96Å; D276-R457 IonicContact OD1-NH1 2.84Å; D276-R457 PolarHBondContact OD1-NH1 3.23Å; D276-R457 IonicContact OD1-NH2 3.5Å; D276-R457 PolarHBondContact OD1-NH2 2.84Å; D276-R457 IonicContact OD2-CZ 3.04Å; D276-R457 VanDerWaalsContact OD2-CZ 3.23Å; D276-R457 IonicContact OD2-NH1 3.35Å; D276-R457 PolarHBondContact OD2-NH1 3.46Å; D276-R457 IonicContact OD2-NH2 2.66Å; D276-R457 PolarHBondContact OD2-NH2 2.89Å; M280-R457 HydrophobicContact CG-CG 3.88Å; M280-R457 HydrophobicContact SD-CB 4.46Å; M280-R457 HydrophobicContact SD-CG 3.43Å; M280-R457 WeakPolarHBondContact SD-CG 3.29Å; L436-R457 HydrophobicContact CD1-CB 4.15Å; L436-R457 HydrophobicContact CD2-CB 4.11Å; F455-R457 VanDerWaalsContact C-N 3.27Å; F455-R457 PolarHBondContact O-N 2.88Å; R457-S459 VanDerWaalsContact C-N 3.31Å; R457-S459 PolarHBondContact O-N 3.47Å; R457-R460 PolarHBondContact O-N 2.96Å; R457-M461 PolarHBondContact O-N 3.21Å
458P89.1Confident85Confident0 Ų046.8 Ų46.80%023%0.231CC..Hα-helixtrans-64.2-34.317921.4-30.5000112.9L368 L436 V437 F455 M461 H462L368-P458 HydrophobicContact CD1-CB 4.24Å; L368-P458 HydrophobicContact CD1-CG 4.03Å; L368-P458 HydrophobicContact CD2-CB 3.96Å; L436-P458 HydrophobicContact CD2-CB 3.79Å; L436-P458 VanDerWaalsContact CD2-CD 3.49Å; L436-P458 HydrophobicContact CD2-CG 3.97Å; V437-P458 HydrophobicContact CG2-CB 3.71Å; F455-P458 HydrophobicContact CB-CG 4.3Å; F455-P458 HydrophobicContact CD1-CG 4.18Å; F455-P458 WeakPolarHBondContact O-CD 3.37Å; F455-P458 VanDerWaalsContact O-CG 3.23Å; F455-P458 WeakPolarHBondContact O-CG 3.4Å; P458-M461 PolarHBondContact O-N 3.17Å; P458-H462 WeakPolarHBondContact O-CB 3.25Å; P458-H462 PolarHBondContact O-N 3.16Å
459S89.5Confident86.3Confident3 Ų345.2 Ų45.22%0.02122%0.217CC..Hα-helixtrans-66.8-41.6177.9-179.40000112.9F455 R456 R457 M461 H462 Q463F455-S459 PolarHBondContact O-N 2.63Å; R456-S459 PolarHBondContact O-N 2.97Å; R457-S459 VanDerWaalsContact C-N 3.31Å; R457-S459 PolarHBondContact O-N 3.47Å; S459-M461 VanDerWaalsContact C-N 3.32Å; S459-M461 PolarHBondContact O-N 3.04Å; S459-H462 CarbonylContact O-C 3.5Å; S459-H462 WeakPolarHBondContact O-CA 3.02Å; S459-H462 WeakPolarHBondContact O-CB 3.34Å; S459-H462 PolarHBondContact O-N 3.13Å; S459-H462 VanDerWaalsContact O-N 3.07Å; S459-Q463 WeakPolarHBondContact O-CG 3.49Å; S459-Q463 PolarHBondContact O-N 3.08Å
460R89Confident87.7Confident39 Ų3938.5 Ų38.515%0.14720%0.198CC..Hα-helixtrans-62.6-39.5173.5-75.1-177.6176.5169.82112.7L279 E293 R456 R457 H462 Q463 L464L279-R460 VanDerWaalsContact O-CD 3.28Å; L279-R460 WeakPolarHBondContact O-CD 3.36Å; L279-R460 PolarHBondContact O-NH1 2.84Å; E293-R460 IonicContact OE1-CZ 2.79Å; E293-R460 IonicContact OE1-NH1 3.43Å; E293-R460 IonicContact OE1-NH2 2.76Å; E293-R460 PolarHBondContact OE1-NH2 2.98Å; E293-R460 IonicContact OE2-CZ 2.64Å; E293-R460 IonicContact OE2-NH1 3.8Å; E293-R460 PolarHBondContact OE2-NH1 3.4Å; E293-R460 IonicContact OE2-NH2 3.22Å; E293-R460 PolarHBondContact OE2-NH2 3.36Å; R456-R460 WeakPolarHBondContact O-CB 3.45Å; R456-R460 WeakPolarHBondContact O-CG 3.49Å; R456-R460 PolarHBondContact O-N 2.89Å; R457-R460 PolarHBondContact O-N 2.96Å; R460-H462 VanDerWaalsContact C-N 3.29Å; R460-H462 PolarHBondContact O-N 3.49Å; R460-Q463 PolarHBondContact O-N 2.89Å; R460-L464 WeakPolarHBondContact O-CB 3.47Å; R460-L464 PolarHBondContact O-N 2.92Å
461M89.6Confident89Confident16 Ų1639.8 Ų39.88%0.07920%0.202CC..Hα-helixtrans-63.1-38172.3-75.4-55.3-154.800112.2L279 R433 L436 R457 P458 S459 L464 T465L279-M461 HydrophobicContact CD1-CE 3.54Å; L279-M461 HydrophobicContact CD1-CG 4.03Å; L279-M461 HydrophobicContact CD1-SD 4.28Å; L279-M461 HydrophobicContact CD2-CE 3.38Å; L279-M461 HydrophobicContact CD2-CG 4.34Å; L279-M461 HydrophobicContact CD2-SD 3.68Å; L279-M461 HydrophobicContact CG-CE 3.96Å; R433-M461 HydrophobicContact CB-CB 4.24Å; R433-M461 HydrophobicContact CG-CB 4.42Å; L436-M461 HydrophobicContact CD1-CG 4.47Å; R457-M461 PolarHBondContact O-N 3.21Å; P458-M461 PolarHBondContact O-N 3.17Å; S459-M461 VanDerWaalsContact C-N 3.32Å; S459-M461 PolarHBondContact O-N 3.04Å; M461-L464 HydrophobicContact SD-CD2 4.23Å; M461-T465 WeakPolarHBondContact O-CB 3.43Å; M461-T465 PolarHBondContact O-N 2.91Å; M461-T465 PolarHBondContact O-OG1 3.41Å
462H90.6Very high89.9Confident26 Ų2634.7 Ų34.712%0.1218%0.178CC..Hα-helixtrans-64.7-42.3173.4-179.980.3000112.5A366 P458 S459 R460 T465 T466A366-H462 HydrophobicContact CB-CB 4.36Å; P458-H462 WeakPolarHBondContact O-CB 3.25Å; P458-H462 PolarHBondContact O-N 3.16Å; S459-H462 CarbonylContact O-C 3.5Å; S459-H462 WeakPolarHBondContact O-CA 3.02Å; S459-H462 WeakPolarHBondContact O-CB 3.34Å; S459-H462 PolarHBondContact O-N 3.13Å; S459-H462 VanDerWaalsContact O-N 3.07Å; R460-H462 VanDerWaalsContact C-N 3.29Å; R460-H462 PolarHBondContact O-N 3.49Å; H462-T465 PolarHBondContact O-N 3.35Å; H462-T466 WeakPolarHBondContact O-CB 3.47Å; H462-T466 PolarHBondContact O-N 2.93Å; H462-T466 PolarHBondContact O-OG1 3.44Å
463Q90.1Very high90.5Very high64 Ų6435 Ų3530%0.29918%0.181SC..Hα-helixtrans-62.6-47.6174.4-72.9175.9-10.200111.5D364 S459 R460 T465 T466 I467D364-Q463 PolarHBondContact OD1-NE2 2.96Å; D364-Q463 PolarHBondContact OD2-NE2 2.88Å; S459-Q463 WeakPolarHBondContact O-CG 3.49Å; S459-Q463 PolarHBondContact O-N 3.08Å; R460-Q463 PolarHBondContact O-N 2.89Å; Q463-T465 VanDerWaalsContact C-N 3.31Å; Q463-T465 PolarHBondContact O-N 3.43Å; Q463-T466 CarbonylContact O-C 3.54Å; Q463-T466 WeakPolarHBondContact O-CA 3.4Å; Q463-T466 WeakPolarHBondContact O-CB 3.47Å; Q463-T466 PolarHBondContact O-N 3.46Å; Q463-I467 WeakPolarHBondContact O-CG1 3.47Å; Q463-I467 PolarHBondContact O-N 3.28Å
464L91.9Very high91.1Very high75 Ų7537 Ų3739%0.39320%0.196SC..Hα-helixtrans-59.8-42.2176.7-176.165000111.6L429 R460 M461 T466 I467 T468L429-L464 HydrophobicContact CD1-CD2 4.36Å; L429-L464 HydrophobicContact CD1-CG 4.16Å; L429-L464 HydrophobicContact CD2-CD2 3.83Å; L429-L464 HydrophobicContact CD2-CG 4.47Å; R460-L464 WeakPolarHBondContact O-CB 3.47Å; R460-L464 PolarHBondContact O-N 2.92Å; M461-L464 HydrophobicContact SD-CD2 4.23Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 3.37Å; L464-I467 PolarHBondContact O-N 3.32Å; L464-T468 WeakPolarHBondContact O-CB 3.35Å; L464-T468 WeakPolarHBondContact O-CG2 3.44Å; L464-T468 PolarHBondContact O-N 3.23Å; L464-T468 PolarHBondContact O-OG1 2.95Å
465T92.1Very high91.7Very high7 Ų736.2 Ų36.24%0.04319%0.192CC..Hα-helixtrans-62.1-39.6173.5-55.70000111.2V430 M461 H462 Q463 T468 I469V430-T465 HydrophobicContact CG2-CG2 3.73Å; M461-T465 WeakPolarHBondContact O-CB 3.43Å; M461-T465 PolarHBondContact O-N 2.91Å; M461-T465 PolarHBondContact O-OG1 3.41Å; H462-T465 PolarHBondContact O-N 3.35Å; Q463-T465 VanDerWaalsContact C-N 3.31Å; Q463-T465 PolarHBondContact O-N 3.43Å; T465-T468 VanDerWaalsContact CA-OG1 3.3Å; T465-T468 WeakPolarHBondContact CA-OG1 3.35Å; T465-T468 PolarHBondContact O-OG1 2.85Å; T465-I469 HydrophobicContact CG2-CD1 3.91Å; T465-I469 WeakPolarHBondContact O-CB 3.43Å; T465-I469 WeakPolarHBondContact O-CD1 3.37Å; T465-I469 WeakPolarHBondContact O-CG1 3.28Å; T465-I469 PolarHBondContact O-N 3.46Å
466T91.8Very high91.9Very high45 Ų4536 Ų3628%0.27619%0.191SC..Hα-helixtrans-69.2-41.9178-66.10000112.5R147 H462 Q463 L464 I469 G470R147-T466 PolarHBondContact NH1-OG1 3.46Å; R147-T466 PolarHBondContact NH2-OG1 2.92Å; H462-T466 WeakPolarHBondContact O-CB 3.47Å; H462-T466 PolarHBondContact O-N 2.93Å; H462-T466 PolarHBondContact O-OG1 3.44Å; Q463-T466 CarbonylContact O-C 3.54Å; Q463-T466 WeakPolarHBondContact O-CA 3.4Å; Q463-T466 WeakPolarHBondContact O-CB 3.47Å; Q463-T466 PolarHBondContact O-N 3.46Å; L464-T466 VanDerWaalsContact C-N 3.31Å; L464-T466 PolarHBondContact O-N 3.37Å; T466-I469 PolarHBondContact O-N 3.3Å; T466-G470 PolarHBondContact O-N 2.87Å
467I93.6Very high92.2Very high118 Ų11838.2 Ų38.261%0.60521%0.206SC*.Hα-helixtrans-63-44.9175.5-67.4166.2000110.4Q463 L464 G470 F471Q463-I467 WeakPolarHBondContact O-CG1 3.47Å; Q463-I467 PolarHBondContact O-N 3.28Å; L464-I467 PolarHBondContact O-N 3.32Å; I467-G470 PolarHBondContact O-N 3.44Å; I467-F471 WeakPolarHBondContact O-CB 3.39Å; I467-F471 PolarHBondContact O-N 3.35Å
468T94.9Very high92.5Very high18 Ų1841.1 Ų41.111%0.1122%0.224CC..Hα-helixtrans-66.1-38178.448.50000112.6L425 L429 L464 T465 F471 L472L425-T468 HydrophobicContact CD2-CG2 4.25Å; L429-T468 HydrophobicContact CD1-CG2 3.85Å; L464-T468 WeakPolarHBondContact O-CB 3.35Å; L464-T468 WeakPolarHBondContact O-CG2 3.44Å; L464-T468 PolarHBondContact O-N 3.23Å; L464-T468 PolarHBondContact O-OG1 2.95Å; T465-T468 VanDerWaalsContact CA-OG1 3.3Å; T465-T468 WeakPolarHBondContact CA-OG1 3.35Å; T465-T468 PolarHBondContact O-OG1 2.85Å; T468-F471 PolarHBondContact O-N 2.85Å; T468-L472 WeakPolarHBondContact O-CB 3.42Å; T468-L472 PolarHBondContact O-N 3.22Å
469I93.7Very high92.6Very high33 Ų3341.3 Ų41.317%0.16923%0.225CC..Hα-helixtrans-63.2-44.4170.8-70.2165.6000111V143 V426 T465 T466 F471 L472 I473V143-I469 HydrophobicContact CG2-CG2 4.36Å; V426-I469 HydrophobicContact CG1-CD1 4.25Å; V426-I469 HydrophobicContact CG1-CG1 3.85Å; V426-I469 HydrophobicContact CG2-CG1 4.11Å; T465-I469 HydrophobicContact CG2-CD1 3.91Å; T465-I469 WeakPolarHBondContact O-CB 3.43Å; T465-I469 WeakPolarHBondContact O-CD1 3.37Å; T465-I469 WeakPolarHBondContact O-CG1 3.28Å; T465-I469 PolarHBondContact O-N 3.46Å; T466-I469 PolarHBondContact O-N 3.3Å; I469-F471 VanDerWaalsContact C-N 3.31Å; I469-F471 PolarHBondContact O-N 3.35Å; I469-L472 WeakPolarHBondContact O-CB 3.45Å; I469-L472 PolarHBondContact O-N 2.95Å; I469-I473 HydrophobicContact CG2-CD1 4.05Å; I469-I473 VanDerWaalsContact O-CG1 3.32Å; I469-I473 WeakPolarHBondContact O-CG1 3.41Å; I469-I473 PolarHBondContact O-N 2.99Å
470G94.6Very high92.6Very high37 Ų3743 Ų4338%0.38123%0.233SC..Hα-helixtrans-60.2-41176.100000112.6T466 I467 I473 C474T466-G470 PolarHBondContact O-N 2.87Å; I467-G470 PolarHBondContact O-N 3.44Å; G470-I473 PolarHBondContact O-N 3.26Å; G470-C474 PolarHBondContact O-N 3.11Å
471F95Very high92.6Very high101 Ų10145 Ų4544%0.44324%0.241SC..Hα-helixtrans-64.9-41.7174.3-174.5-114.7000112.3F418 V422 I467 T468 I469 I473 C474 I475F418-F471 AromaticContact CE1-CE1 3.63Å; F418-F471 HydrophobicContact CE1-CE1 3.63Å; F418-F471 AromaticContact CE1-CZ 3.78Å; F418-F471 HydrophobicContact CE1-CZ 3.78Å; F418-F471 AromaticContact CZ-CE1 3.58Å; F418-F471 HydrophobicContact CZ-CE1 3.58Å; F418-F471 AromaticContact CZ-CZ 3.87Å; F418-F471 HydrophobicContact CZ-CZ 3.87Å; V422-F471 HydrophobicContact CG1-CD1 4.48Å; V422-F471 HydrophobicContact CG2-CD1 4.38Å; V422-F471 HydrophobicContact CG2-CE1 4.31Å; I467-F471 WeakPolarHBondContact O-CB 3.39Å; I467-F471 PolarHBondContact O-N 3.35Å; T468-F471 PolarHBondContact O-N 2.85Å; I469-F471 VanDerWaalsContact C-N 3.31Å; I469-F471 PolarHBondContact O-N 3.35Å; F471-I473 VanDerWaalsContact C-N 3.34Å; F471-I473 PolarHBondContact O-N 3.45Å; F471-C474 WeakPolarHBondContact O-CB 3.09Å; F471-C474 PolarHBondContact O-N 2.94Å; F471-I475 HydrophobicContact CD1-CD1 3.48Å; F471-I475 VanDerWaalsContact CD1-CD1 3.48Å; F471-I475 HydrophobicContact CD2-CD1 4.19Å; F471-I475 HydrophobicContact CE1-CD1 3.23Å; F471-I475 HydrophobicContact CE1-CG1 4.44Å; F471-I475 HydrophobicContact CE2-CD1 3.96Å; F471-I475 HydrophobicContact CE2-CG1 4.42Å; F471-I475 HydrophobicContact CG-CD1 3.99Å; F471-I475 HydrophobicContact CZ-CD1 3.5Å; F471-I475 VanDerWaalsContact CZ-CD1 3.5Å; F471-I475 HydrophobicContact CZ-CG1 4.34Å; F471-I475 WeakPolarHBondContact O-CD1 3.33Å; F471-I475 WeakPolarHBondContact O-CG1 3.24Å; F471-I475 PolarHBondContact O-N 3.2Å
472L95.4Very high92.4Very high3 Ų345.7 Ų45.72%0.01624%0.243CC..Hα-helixtrans-58.5-45.3173.2177.663.1000111.5L139 I419 V422 N423 T468 I469 I475 T476L139-L472 HydrophobicContact CD1-CD2 4.13Å; L139-L472 HydrophobicContact CD2-CG 4.3Å; I419-L472 HydrophobicContact CG2-CD1 4.03Å; V422-L472 HydrophobicContact CB-CD1 4.32Å; V422-L472 HydrophobicContact CG1-CB 3.86Å; V422-L472 HydrophobicContact CG1-CD1 4.08Å; V422-L472 HydrophobicContact CG1-CG 4.47Å; N423-L472 WeakPolarHBondContact ND2-CD1 3.2Å; N423-L472 WeakPolarHBondContact OD1-CD2 3.36Å; T468-L472 WeakPolarHBondContact O-CB 3.42Å; T468-L472 PolarHBondContact O-N 3.22Å; I469-L472 WeakPolarHBondContact O-CB 3.45Å; I469-L472 PolarHBondContact O-N 2.95Å; L472-I475 PolarHBondContact O-N 3.08Å; L472-T476 HydrophobicContact CD1-CG2 4.01Å; L472-T476 HydrophobicContact CG-CG2 4.43Å; L472-T476 WeakPolarHBondContact O-CB 3.29Å; L472-T476 WeakPolarHBondContact O-CG2 3.21Å; L472-T476 PolarHBondContact O-N 3Å; L472-T476 PolarHBondContact O-OG1 3.49Å
473I94.6Very high92.1Very high40 Ų4044.9 Ų44.921%0.20524%0.239CC..Hα-helixtrans-60.6-46.7175.7-65.7165.5000110.5M140 V143 I469 G470 F471 I475 T476 T477M140-I473 HydrophobicContact CE-CB 4.26Å; M140-I473 HydrophobicContact CE-CG1 4.06Å; M140-I473 HydrophobicContact CE-CG2 3.62Å; M140-I473 HydrophobicContact SD-CG2 4.4Å; V143-I473 HydrophobicContact CB-CD1 4.32Å; V143-I473 HydrophobicContact CG1-CD1 3.88Å; V143-I473 HydrophobicContact CG2-CD1 3.65Å; V143-I473 HydrophobicContact CG2-CG1 4.22Å; I469-I473 HydrophobicContact CG2-CD1 4.05Å; I469-I473 VanDerWaalsContact O-CG1 3.32Å; I469-I473 WeakPolarHBondContact O-CG1 3.41Å; I469-I473 PolarHBondContact O-N 2.99Å; G470-I473 PolarHBondContact O-N 3.26Å; F471-I473 VanDerWaalsContact C-N 3.34Å; F471-I473 PolarHBondContact O-N 3.45Å; I473-I475 PolarHBondContact O-N 2.89Å; I473-T476 VanDerWaalsContact CA-OG1 3.3Å; I473-T476 WeakPolarHBondContact CA-OG1 3.41Å; I473-T476 PolarHBondContact O-N 3.12Å; I473-T476 PolarHBondContact O-OG1 3.39Å; I473-T477 HydrophobicContact CG2-CG2 4.29Å; I473-T477 VanDerWaalsContact O-CG2 3.26Å; I473-T477 WeakPolarHBondContact O-CG2 3.4Å; I473-T477 PolarHBondContact O-N 2.98Å; I473-T477 PolarHBondContact O-OG1 2.88Å
474C95.1Very high91.9Very high64 Ų6444.6 Ų44.643%0.43224%0.24SC..Hα-helixtrans-57.6-50.4178.3-176.50000111.6G470 F471 T476 T477 L478G470-C474 PolarHBondContact O-N 3.11Å; F471-C474 WeakPolarHBondContact O-CB 3.09Å; F471-C474 PolarHBondContact O-N 2.94Å; C474-T476 VanDerWaalsContact C-N 3.34Å; C474-T476 PolarHBondContact O-N 3.44Å; C474-T477 PolarHBondContact O-N 2.88Å; C474-T477 PolarHBondContact O-OG1 3.11Å; C474-L478 WeakPolarHBondContact O-CG 3.4Å; C474-L478 PolarHBondContact O-N 3.46Å
475I94.1Very high91.4Very high10 Ų1042.5 Ų42.55%0.05123%0.228CC..Hα-helixtrans-65.2-39.9-179.2-66.7159.8000111.7L415 F418 I419 F471 L472 I473 T477 L478 R479L415-I475 HydrophobicContact CD1-CG2 3.61Å; L415-I475 HydrophobicContact CG-CG2 4.18Å; F418-I475 HydrophobicContact CD1-CD1 3.71Å; F418-I475 HydrophobicContact CD1-CG2 4.4Å; F418-I475 HydrophobicContact CE1-CD1 3.32Å; F418-I475 HydrophobicContact CE1-CG1 4.35Å; F418-I475 HydrophobicContact CZ-CD1 4.35Å; I419-I475 HydrophobicContact CD1-CG2 4Å; I419-I475 HydrophobicContact CG1-CB 4.48Å; I419-I475 HydrophobicContact CG1-CG2 3.48Å; I419-I475 VanDerWaalsContact CG1-CG2 3.48Å; F471-I475 HydrophobicContact CD1-CD1 3.48Å; F471-I475 VanDerWaalsContact CD1-CD1 3.48Å; F471-I475 HydrophobicContact CD2-CD1 4.19Å; F471-I475 HydrophobicContact CE1-CD1 3.23Å; F471-I475 HydrophobicContact CE1-CG1 4.44Å; F471-I475 HydrophobicContact CE2-CD1 3.96Å; F471-I475 HydrophobicContact CE2-CG1 4.42Å; F471-I475 HydrophobicContact CG-CD1 3.99Å; F471-I475 HydrophobicContact CZ-CD1 3.5Å; F471-I475 VanDerWaalsContact CZ-CD1 3.5Å; F471-I475 HydrophobicContact CZ-CG1 4.34Å; F471-I475 WeakPolarHBondContact O-CD1 3.33Å; F471-I475 WeakPolarHBondContact O-CG1 3.24Å; F471-I475 PolarHBondContact O-N 3.2Å; L472-I475 PolarHBondContact O-N 3.08Å; I473-I475 PolarHBondContact O-N 2.89Å; I475-T477 VanDerWaalsContact C-N 3.35Å; I475-L478 PolarHBondContact O-N 2.9Å; I475-R479 WeakPolarHBondContact O-CB 3.47Å; I475-R479 PolarHBondContact O-N 2.98Å
476T92.7Very high90.8Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-67.3-36.5177.952.90000111.9Y132 Y135 L139 I419 L472 I473 C474 R479 L480Y132-T476 VanDerWaalsContact OH-C 3.29Å; Y132-T476 WeakPolarHBondContact OH-CA 3.48Å; Y132-T476 WeakPolarHBondContact OH-CB 3.22Å; Y132-T476 WeakPolarHBondContact OH-CG2 3.16Å; Y132-T476 PolarHBondContact OH-O 3.44Å; Y135-T476 HydrophobicContact CE1-CG2 3.81Å; L139-T476 HydrophobicContact CD2-CG2 3.9Å; L139-T476 WeakPolarHBondContact CD2-OG1 3.38Å; I419-T476 HydrophobicContact CD1-CG2 4.12Å; I419-T476 HydrophobicContact CG1-CG2 4.2Å; I419-T476 HydrophobicContact CG2-CG2 3.96Å; L472-T476 HydrophobicContact CD1-CG2 4.01Å; L472-T476 HydrophobicContact CG-CG2 4.43Å; L472-T476 WeakPolarHBondContact O-CB 3.29Å; L472-T476 WeakPolarHBondContact O-CG2 3.21Å; L472-T476 PolarHBondContact O-N 3Å; L472-T476 PolarHBondContact O-OG1 3.49Å; I473-T476 VanDerWaalsContact CA-OG1 3.3Å; I473-T476 WeakPolarHBondContact CA-OG1 3.41Å; I473-T476 PolarHBondContact O-N 3.12Å; I473-T476 PolarHBondContact O-OG1 3.39Å; C474-T476 VanDerWaalsContact C-N 3.34Å; C474-T476 PolarHBondContact O-N 3.44Å; T476-R479 WeakPolarHBondContact O-CB 3.33Å; T476-R479 PolarHBondContact O-N 3.32Å; T476-L480 PolarHBondContact O-N 2.85Å
477T93.1Very high90.4Very high59 Ų5944 Ų4436%0.36224%0.235SC..Hα-helixtrans-65.1-40.5171.1620000112.4F136 I473 C474 I475 R479 L480F136-T477 HydrophobicContact CE2-CG2 3.75Å; F136-T477 HydrophobicContact CZ-CG2 4.21Å; I473-T477 HydrophobicContact CG2-CG2 4.29Å; I473-T477 VanDerWaalsContact O-CG2 3.26Å; I473-T477 WeakPolarHBondContact O-CG2 3.4Å; I473-T477 PolarHBondContact O-N 2.98Å; I473-T477 PolarHBondContact O-OG1 2.88Å; C474-T477 PolarHBondContact O-N 2.88Å; C474-T477 PolarHBondContact O-OG1 3.11Å; I475-T477 VanDerWaalsContact C-N 3.35Å; T477-R479 VanDerWaalsContact C-N 3.27Å; T477-R479 PolarHBondContact O-N 3.23Å; T477-L480 VanDerWaalsContact O-CB 3.28Å; T477-L480 WeakPolarHBondContact O-CB 3.43Å; T477-L480 PolarHBondContact O-N 2.82Å
478L91.5Very high89.7Confident106 Ų10642 Ų4256%0.55523%0.232SC*.Hα-helixtrans-62.3-36.2173.7-70.6176000111.8C474 I475 L480 W481C474-L478 WeakPolarHBondContact O-CG 3.4Å; C474-L478 PolarHBondContact O-N 3.46Å; I475-L478 PolarHBondContact O-N 2.9Å; L478-L480 PolarHBondContact O-N 2.72Å; L478-W481 WeakPolarHBondContact O-CB 3.48Å; L478-W481 PolarHBondContact O-N 3.03Å
479R91.4Very high89.2Confident3 Ų344.6 Ų44.61%0.01125%0.248CC..Hα-helixtrans-62.4-29178-174.367.2-174.5843.5112.9D128 Y132 L415 D416 I419 I475 T476 T477 W481 R482D128-R479 IonicContact OD2-NH2 3.88Å; Y132-R479 HydrophobicContact CD2-CG 4.28Å; Y132-R479 HydrophobicContact CE1-CB 4.16Å; Y132-R479 HydrophobicContact CE1-CG 3.98Å; Y132-R479 HydrophobicContact CE2-CB 4.32Å; Y132-R479 HydrophobicContact CE2-CG 3.69Å; Y132-R479 WeakPolarHBondContact OH-CB 3.27Å; L415-R479 HydrophobicContact CD2-CB 4.09Å; L415-R479 HydrophobicContact CD2-CG 4.47Å; D416-R479 VanDerWaalsContact CG-NE 3.25Å; D416-R479 WeakPolarHBondContact OD1-CD 3.36Å; D416-R479 IonicContact OD1-CZ 2.69Å; D416-R479 IonicContact OD1-NE 2.76Å; D416-R479 PolarHBondContact OD1-NE 2.93Å; D416-R479 IonicContact OD1-NH2 3.49Å; D416-R479 PolarHBondContact OD1-NH2 3.36Å; D416-R479 IonicContact OD2-CZ 2.92Å; D416-R479 IonicContact OD2-NE 3.55Å; D416-R479 PolarHBondContact OD2-NE 3.17Å; D416-R479 IonicContact OD2-NH2 2.69Å; D416-R479 PolarHBondContact OD2-NH2 3.3Å; I419-R479 HydrophobicContact CD1-CB 3.94Å; I419-R479 HydrophobicContact CD1-CG 3.91Å; I475-R479 WeakPolarHBondContact O-CB 3.47Å; I475-R479 PolarHBondContact O-N 2.98Å; T476-R479 WeakPolarHBondContact O-CB 3.33Å; T476-R479 PolarHBondContact O-N 3.32Å; T477-R479 VanDerWaalsContact C-N 3.27Å; T477-R479 PolarHBondContact O-N 3.23Å; R479-W481 PolarHBondContact O-N 3.04Å; R479-W481 VanDerWaalsContact O-N 3.14Å; R479-R482 PolarHBondContact O-N 3.39Å
480L89.3Confident88.9Confident39 Ų3945.6 Ų45.620%0.20425%0.251CS..Hα-helixtrans-57.9-24174.1-67.2174000112.7Y132 F136 T476 T477 L478 R482 V483 L484Y132-L480 HydrophobicContact CD1-CD2 4.04Å; Y132-L480 HydrophobicContact CE1-CD2 3.74Å; Y132-L480 HydrophobicContact CE1-CG 4.25Å; F136-L480 HydrophobicContact CB-CD2 4.34Å; F136-L480 HydrophobicContact CD1-CD1 4.13Å; F136-L480 HydrophobicContact CD1-CD2 4.14Å; F136-L480 HydrophobicContact CD2-CD1 4.02Å; F136-L480 HydrophobicContact CD2-CD2 4.25Å; F136-L480 HydrophobicContact CD2-CG 4.19Å; F136-L480 HydrophobicContact CE1-CD1 3.79Å; F136-L480 HydrophobicContact CE2-CD1 3.67Å; F136-L480 HydrophobicContact CE2-CG 4.29Å; F136-L480 HydrophobicContact CG-CD1 4.25Å; F136-L480 HydrophobicContact CG-CD2 3.95Å; F136-L480 HydrophobicContact CG-CG 4.38Å; F136-L480 HydrophobicContact CZ-CD1 3.56Å; T476-L480 PolarHBondContact O-N 2.85Å; T477-L480 VanDerWaalsContact O-CB 3.28Å; T477-L480 WeakPolarHBondContact O-CB 3.43Å; T477-L480 PolarHBondContact O-N 2.82Å; L478-L480 PolarHBondContact O-N 2.72Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 3.21Å; L480-V483 WeakPolarHBondContact O-CB 3.44Å; L480-V483 PolarHBondContact O-N 3.37Å; L480-L484 WeakPolarHBondContact O-CG 3.35Å; L480-L484 PolarHBondContact O-N 3.43Å
481W88.8Confident88.5Confident80 Ų8046.6 Ų46.630%0.30325%0.245SC..Hα-helixtrans-53.9-43.7177.7-172.8-85.6000112.4W412 L478 R479 V483 L484 Q485 F490 F493 T494 L497W412-W481 HydrophobicContact CH2-CB 4.06Å; W412-W481 AromaticContact CH2-CD1 3.71Å; W412-W481 HydrophobicContact CH2-CG 4.22Å; W412-W481 HydrophobicContact CZ3-CB 4.49Å; L478-W481 WeakPolarHBondContact O-CB 3.48Å; L478-W481 PolarHBondContact O-N 3.03Å; R479-W481 PolarHBondContact O-N 3.04Å; R479-W481 VanDerWaalsContact O-N 3.14Å; W481-V483 PolarHBondContact O-N 3.38Å; W481-L484 PolarHBondContact O-N 3.01Å; W481-Q485 WeakPolarHBondContact O-CG 3.19Å; W481-Q485 PolarHBondContact O-N 3.46Å; W481-F490 HydrophobicContact CD2-CD1 4.21Å; W481-F490 HydrophobicContact CE3-CD1 4.02Å; W481-F490 HydrophobicContact CE3-CE1 4.05Å; W481-F490 HydrophobicContact CH2-CD1 4.05Å; W481-F490 HydrophobicContact CH2-CE1 4.37Å; W481-F490 HydrophobicContact CZ2-CD1 4.22Å; W481-F490 AromaticContact CZ3-CD1 3.94Å; W481-F490 HydrophobicContact CZ3-CD1 3.94Å; W481-F490 AromaticContact CZ3-CE1 3.89Å; W481-F490 HydrophobicContact CZ3-CE1 3.89Å; W481-F493 HydrophobicContact CH2-CB 3.97Å; W481-F493 HydrophobicContact CZ2-CB 3.84Å; W481-T494 PolarHBondContact NE1-OG1 3.37Å; W481-L497 HydrophobicContact CH2-CD1 4.45Å; W481-L497 HydrophobicContact CZ2-CD1 4.13Å
482R86.2Confident88.2Confident32 Ų3242.2 Ų42.212%0.12123%0.226CC..Hα-helixtrans-65.2-39.8176.8-170.2-172.3179.7-174.2-23.2111.6D128 W412 N413 R479 L480 L484 Q485D128-R482 IonicContact OD2-CZ 3.55Å; D128-R482 IonicContact OD2-NE 2.71Å; D128-R482 PolarHBondContact OD2-NE 3.02Å; D128-R482 IonicContact OD2-NH1 2.69Å; D128-R482 IonicContact OD2-NH2 3.73Å; D128-R482 PolarHBondContact OD2-NH2 3.49Å; W412-R482 HydrophobicContact CD2-CB 3.87Å; W412-R482 HydrophobicContact CD2-CG 4.03Å; W412-R482 HydrophobicContact CE3-CB 3.84Å; W412-R482 HydrophobicContact CE3-CG 4.48Å; W412-R482 HydrophobicContact CG-CB 4.48Å; W412-R482 HydrophobicContact CG-CG 4.16Å; W412-R482 HydrophobicContact CH2-CB 4.23Å; W412-R482 HydrophobicContact CZ2-CB 4.24Å; W412-R482 HydrophobicContact CZ3-CB 4.02Å; N413-R482 PolarHBondContact OD1-NH1 2.9Å; R479-R482 PolarHBondContact O-N 3.39Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 3.21Å; R482-L484 VanDerWaalsContact C-N 3.31Å; R482-Q485 VanDerWaalsContact O-CB 3.3Å; R482-Q485 WeakPolarHBondContact O-CB 3.41Å; R482-Q485 PolarHBondContact O-N 2.87Å
483V84.8Confident88Confident8 Ų845.9 Ų45.95%0.04824%0.242CC..Hα-helixtrans-62.5-45.5178.2177.90000108.9L129 Y132 L480 W481 Q485 F486L129-V483 HydrophobicContact CB-CG1 4.02Å; L129-V483 HydrophobicContact CD1-CG1 3.4Å; L129-V483 VanDerWaalsContact CD1-CG1 3.4Å; L129-V483 HydrophobicContact CG-CG1 4.25Å; Y132-V483 HydrophobicContact CD1-CG2 4.09Å; L480-V483 WeakPolarHBondContact O-CB 3.44Å; L480-V483 PolarHBondContact O-N 3.37Å; W481-V483 PolarHBondContact O-N 3.38Å; V483-Q485 PolarHBondContact O-N 3.49Å; V483-Q485 VanDerWaalsContact O-N 3.08Å; V483-F486 WeakPolarHBondContact O-CD1 3.23Å; V483-F486 PolarHBondContact O-N 2.89Å
484L85.3Confident87.7Confident58 Ų5845.9 Ų45.930%0.30424%0.244SC..Hα-helixtrans-65-11.5179.3-67.5170.7000114.3L480 W481 R482 F486 A487 F490L480-L484 WeakPolarHBondContact O-CG 3.35Å; L480-L484 PolarHBondContact O-N 3.43Å; W481-L484 PolarHBondContact O-N 3.01Å; R482-L484 VanDerWaalsContact C-N 3.31Å; L484-F486 HydrophobicContact CD2-CE1 4.16Å; L484-F486 HydrophobicContact CD2-CZ 4.36Å; L484-F486 PolarHBondContact O-N 3.32Å; L484-A487 PolarHBondContact O-N 3.12Å; L484-F490 HydrophobicContact CB-CB 4.41Å; L484-F490 HydrophobicContact CB-CD1 3.95Å; L484-F490 HydrophobicContact CB-CD2 3.75Å; L484-F490 HydrophobicContact CB-CE1 4.1Å; L484-F490 HydrophobicContact CB-CE2 3.9Å; L484-F490 HydrophobicContact CB-CG 3.77Å; L484-F490 HydrophobicContact CB-CZ 4.09Å; L484-F490 HydrophobicContact CD1-CD1 4.48Å; L484-F490 HydrophobicContact CD1-CE1 3.83Å; L484-F490 HydrophobicContact CD1-CE2 4.17Å; L484-F490 HydrophobicContact CD1-CZ 3.66Å; L484-F490 HydrophobicContact CD2-CE2 4.33Å; L484-F490 HydrophobicContact CG-CE2 4.36Å; L484-F490 HydrophobicContact CG-CZ 4.32Å; L484-F490 WeakPolarHBondContact O-CB 3.38Å; L484-F490 WeakPolarHBondContact O-CD2 3.37Å
485Q81.5Confident87.5Confident32 Ų3246.5 Ų46.515%0.1524%0.237CC..THydrogen-bonded Turntrans-64.3-5.8172.7-68176.2-18.300113.7W481 R482 V483 A487 K491 T494W481-Q485 WeakPolarHBondContact O-CG 3.19Å; W481-Q485 PolarHBondContact O-N 3.46Å; R482-Q485 VanDerWaalsContact O-CB 3.3Å; R482-Q485 WeakPolarHBondContact O-CB 3.41Å; R482-Q485 PolarHBondContact O-N 2.87Å; V483-Q485 PolarHBondContact O-N 3.49Å; V483-Q485 VanDerWaalsContact O-N 3.08Å; Q485-A487 PolarHBondContact O-N 3.27Å; Q485-K491 HydrophobicContact CB-CG 4.21Å; Q485-K491 WeakPolarHBondContact O-CE 3.23Å; Q485-K491 WeakPolarHBondContact O-CG 3.14Å; Q485-T494 PolarHBondContact NE2-OG1 3.41Å; Q485-T494 VanDerWaalsContact NE2-OG1 3.1Å
486F78.7Confident87.4Confident53 Ų5346.5 Ų46.523%0.23224%0.238CC..THydrogen-bonded Turntrans-59.8-30.2164.870.4-105.2000111.9I125 V483 L484 F611I125-F486 HydrophobicContact CG2-CB 4.01Å; V483-F486 WeakPolarHBondContact O-CD1 3.23Å; V483-F486 PolarHBondContact O-N 2.89Å; L484-F486 HydrophobicContact CD2-CE1 4.16Å; L484-F486 HydrophobicContact CD2-CZ 4.36Å; L484-F486 PolarHBondContact O-N 3.32Å; F486-F611 HydrophobicContact CB-CB 4.2Å; F486-F611 HydrophobicContact CB-CD1 3.64Å; F486-F611 HydrophobicContact CB-CD2 3.92Å; F486-F611 HydrophobicContact CB-CE1 3.89Å; F486-F611 HydrophobicContact CB-CE2 4.14Å; F486-F611 HydrophobicContact CB-CG 3.65Å; F486-F611 HydrophobicContact CB-CZ 4.13Å; F486-F611 HydrophobicContact CD2-CD1 4.02Å; F486-F611 AromaticContact CG-CD1 3.97Å; F486-F611 HydrophobicContact CG-CD1 3.97Å; F486-F611 HydrophobicContact CG-CE1 4.14Å; F486-F611 HydrophobicContact CG-CG 4.43Å
487A83.6Confident87.3Confident29 Ų2950.9 Ų50.924%0.2426%0.26CS..SBendtrans-83.9131.1176.700000110.6L484 Q485 V489 F490 K491L484-A487 PolarHBondContact O-N 3.12Å; Q485-A487 PolarHBondContact O-N 3.27Å; A487-V489 PolarHBondContact O-N 2.96Å; A487-V489 VanDerWaalsContact O-N 3.08Å; A487-F490 HydrophobicContact CB-CD2 4.05Å; A487-F490 PolarHBondContact O-N 3.17Å; A487-F490 VanDerWaalsContact O-N 3.08Å; A487-K491 PolarHBondContact O-N 2.89Å
488S78.5Confident87.2Confident76 Ų7657.2 Ų57.253%0.53128%0.279SS..Hα-helixtrans-59-24.9-178.659.40000113.5L492S488-L492 WeakPolarHBondContact O-CB 3.45Å; S488-L492 PolarHBondContact O-N 3.4Å
489V86.4Confident87.3Confident74 Ų7455 Ų5545%0.44827%0.267SS..Hα-helixtrans-65.8-47.8175.6179.90000111.2A487 L492 F493A487-V489 PolarHBondContact O-N 2.96Å; A487-V489 VanDerWaalsContact O-N 3.08Å; V489-L492 WeakPolarHBondContact O-CB 3.26Å; V489-L492 PolarHBondContact O-N 2.84Å; V489-F493 HydrophobicContact CG1-CD2 3.86Å; V489-F493 HydrophobicContact CG1-CE2 3.33Å; V489-F493 HydrophobicContact CG1-CZ 3.89Å; V489-F493 WeakPolarHBondContact O-CD2 3.37Å; V489-F493 WeakPolarHBondContact O-CG 3.25Å; V489-F493 PolarHBondContact O-N 2.69Å
490F87.2Confident87.4Confident53 Ų5355 Ų5523%0.23227%0.268CS..Hα-helixtrans-70.7-32.2178.6-76.3-85.6000112.6W481 L484 A487 L492 F493 T494W481-F490 HydrophobicContact CD2-CD1 4.21Å; W481-F490 HydrophobicContact CE3-CD1 4.02Å; W481-F490 HydrophobicContact CE3-CE1 4.05Å; W481-F490 HydrophobicContact CH2-CD1 4.05Å; W481-F490 HydrophobicContact CH2-CE1 4.37Å; W481-F490 HydrophobicContact CZ2-CD1 4.22Å; W481-F490 AromaticContact CZ3-CD1 3.94Å; W481-F490 HydrophobicContact CZ3-CD1 3.94Å; W481-F490 AromaticContact CZ3-CE1 3.89Å; W481-F490 HydrophobicContact CZ3-CE1 3.89Å; L484-F490 HydrophobicContact CB-CB 4.41Å; L484-F490 HydrophobicContact CB-CD1 3.95Å; L484-F490 HydrophobicContact CB-CD2 3.75Å; L484-F490 HydrophobicContact CB-CE1 4.1Å; L484-F490 HydrophobicContact CB-CE2 3.9Å; L484-F490 HydrophobicContact CB-CG 3.77Å; L484-F490 HydrophobicContact CB-CZ 4.09Å; L484-F490 HydrophobicContact CD1-CD1 4.48Å; L484-F490 HydrophobicContact CD1-CE1 3.83Å; L484-F490 HydrophobicContact CD1-CE2 4.17Å; L484-F490 HydrophobicContact CD1-CZ 3.66Å; L484-F490 HydrophobicContact CD2-CE2 4.33Å; L484-F490 HydrophobicContact CG-CE2 4.36Å; L484-F490 HydrophobicContact CG-CZ 4.32Å; L484-F490 WeakPolarHBondContact O-CB 3.38Å; L484-F490 WeakPolarHBondContact O-CD2 3.37Å; A487-F490 HydrophobicContact CB-CD2 4.05Å; A487-F490 PolarHBondContact O-N 3.17Å; A487-F490 VanDerWaalsContact O-N 3.08Å; F490-L492 VanDerWaalsContact C-N 3.34Å; F490-F493 PolarHBondContact O-N 3.43Å; F490-T494 WeakPolarHBondContact O-CB 3.28Å; F490-T494 PolarHBondContact O-N 3.35Å; F490-T494 PolarHBondContact O-OG1 3.28Å
491K84.3Confident87.5Confident58 Ų5861.6 Ų61.625%0.25229%0.291SS..Hα-helixtrans-61.6-44.2169.6-68.5-167.7178.3-1690111.2Q485 A487 T494 R495Q485-K491 HydrophobicContact CB-CG 4.21Å; Q485-K491 WeakPolarHBondContact O-CE 3.23Å; Q485-K491 WeakPolarHBondContact O-CG 3.14Å; A487-K491 PolarHBondContact O-N 2.89Å; K491-T494 PolarHBondContact O-N 2.82Å; K491-R495 WeakPolarHBondContact O-CB 3.46Å; K491-R495 PolarHBondContact O-N 2.84Å
492L89.3Confident87.7Confident9 Ų961.9 Ų61.95%0.04730%0.304CS..Hα-helixtrans-59.1-53.3175.2-179.964.3000110S488 V489 F490 T494 R495 T496 F594 A597 K598 R601S488-L492 WeakPolarHBondContact O-CB 3.45Å; S488-L492 PolarHBondContact O-N 3.4Å; V489-L492 WeakPolarHBondContact O-CB 3.26Å; V489-L492 PolarHBondContact O-N 2.84Å; F490-L492 VanDerWaalsContact C-N 3.34Å; L492-T494 VanDerWaalsContact C-N 3.33Å; L492-T494 PolarHBondContact O-N 2.8Å; L492-R495 WeakPolarHBondContact O-CB 3.23Å; L492-R495 PolarHBondContact O-N 2.92Å; L492-R495 VanDerWaalsContact O-N 3.1Å; L492-T496 HydrophobicContact CD1-CG2 4.08Å; L492-T496 HydrophobicContact CG-CG2 4.04Å; L492-T496 WeakPolarHBondContact O-CG2 3.46Å; L492-T496 PolarHBondContact O-N 2.81Å; L492-F594 HydrophobicContact CD2-CD2 4.35Å; L492-F594 HydrophobicContact CD2-CE2 3.46Å; L492-F594 VanDerWaalsContact CD2-CE2 3.46Å; L492-F594 HydrophobicContact CD2-CZ 3.64Å; L492-F594 HydrophobicContact CG-CD2 4.49Å; L492-F594 HydrophobicContact CG-CE2 3.97Å; L492-A597 VanDerWaalsContact CD1-C 3.49Å; L492-A597 HydrophobicContact CD1-CB 3.73Å; L492-A597 WeakPolarHBondContact CD1-O 3.23Å; L492-K598 HydrophobicContact CD1-CB 4.44Å; L492-R601 HydrophobicContact CD1-CB 4.34Å
493F91.1Very high88Confident81 Ų8161 Ų6136%0.35531%0.305SS..Hα-helixtrans-60.2-38.2178.7-66.5-39.9000113.9W481 V489 F490 R495 T496 L497 F594W481-F493 HydrophobicContact CH2-CB 3.97Å; W481-F493 HydrophobicContact CZ2-CB 3.84Å; V489-F493 HydrophobicContact CG1-CD2 3.86Å; V489-F493 HydrophobicContact CG1-CE2 3.33Å; V489-F493 HydrophobicContact CG1-CZ 3.89Å; V489-F493 WeakPolarHBondContact O-CD2 3.37Å; V489-F493 WeakPolarHBondContact O-CG 3.25Å; V489-F493 PolarHBondContact O-N 2.69Å; F490-F493 PolarHBondContact O-N 3.43Å; F493-R495 VanDerWaalsContact C-N 3.33Å; F493-R495 PolarHBondContact O-N 2.83Å; F493-T496 WeakPolarHBondContact CA-OG1 3.38Å; F493-T496 PolarHBondContact O-N 2.84Å; F493-T496 PolarHBondContact O-OG1 3.46Å; F493-L497 WeakPolarHBondContact O-CB 3.38Å; F493-L497 VanDerWaalsContact O-CG 3.31Å; F493-L497 WeakPolarHBondContact O-CG 3.34Å; F493-L497 PolarHBondContact O-N 2.91Å; F493-F594 HydrophobicContact CD1-CD2 4.46Å; F493-F594 HydrophobicContact CD1-CE2 4.13Å; F493-F594 HydrophobicContact CE1-CD2 4.37Å; F493-F594 AromaticContact CE1-CE2 3.78Å; F493-F594 HydrophobicContact CE1-CE2 3.78Å
494T89.8Confident88.3Confident39 Ų3961.9 Ų61.924%0.23931%0.31CS..Hα-helixtrans-62.6-44.6175.2-54.10000110.4W481 Q485 F490 K491 L492 L497 Y498W481-T494 PolarHBondContact NE1-OG1 3.37Å; Q485-T494 PolarHBondContact NE2-OG1 3.41Å; Q485-T494 VanDerWaalsContact NE2-OG1 3.1Å; F490-T494 WeakPolarHBondContact O-CB 3.28Å; F490-T494 PolarHBondContact O-N 3.35Å; F490-T494 PolarHBondContact O-OG1 3.28Å; K491-T494 PolarHBondContact O-N 2.82Å; L492-T494 VanDerWaalsContact C-N 3.33Å; L492-T494 PolarHBondContact O-N 2.8Å; T494-L497 PolarHBondContact O-N 3.07Å; T494-Y498 WeakPolarHBondContact O-CB 3.4Å; T494-Y498 PolarHBondContact O-N 3.41Å
495R89.6Confident88.5Confident77 Ų7760.7 Ų60.729%0.29131%0.308SS..Hα-helixtrans-65.1-41.1177.6-169.6-178.5-166.8152.114.3111.6K491 L492 F493 L497 Y498 L499 A597 E604K491-R495 WeakPolarHBondContact O-CB 3.46Å; K491-R495 PolarHBondContact O-N 2.84Å; L492-R495 WeakPolarHBondContact O-CB 3.23Å; L492-R495 PolarHBondContact O-N 2.92Å; L492-R495 VanDerWaalsContact O-N 3.1Å; F493-R495 VanDerWaalsContact C-N 3.33Å; F493-R495 PolarHBondContact O-N 2.83Å; R495-L497 VanDerWaalsContact C-N 3.35Å; R495-Y498 PolarHBondContact O-N 3.28Å; R495-L499 HydrophobicContact CG-CD1 3.98Å; R495-L499 HydrophobicContact CG-CG 4.39Å; R495-L499 WeakPolarHBondContact O-CB 3.16Å; R495-L499 VanDerWaalsContact O-CG 3.31Å; R495-L499 WeakPolarHBondContact O-CG 2.92Å; R495-L499 PolarHBondContact O-N 2.82Å; R495-A597 HydrophobicContact CG-CB 4.37Å; R495-E604 IonicContact CZ-OE1 3.27Å; R495-E604 IonicContact NH1-OE1 3.21Å; R495-E604 PolarHBondContact NH1-OE1 3.4Å; R495-E604 IonicContact NH1-OE2 3.5Å; R495-E604 IonicContact NH2-OE1 2.95Å; R495-E604 PolarHBondContact NH2-OE1 2.85Å
496T92.5Very high89Confident10 Ų1062.4 Ų62.46%0.06132%0.324CS..Hα-helixtrans-62.4-45.9178.671.50000110L492 F493 L499 A500 F594 A597L492-T496 HydrophobicContact CD1-CG2 4.08Å; L492-T496 HydrophobicContact CG-CG2 4.04Å; L492-T496 WeakPolarHBondContact O-CG2 3.46Å; L492-T496 PolarHBondContact O-N 2.81Å; F493-T496 WeakPolarHBondContact CA-OG1 3.38Å; F493-T496 PolarHBondContact O-N 2.84Å; F493-T496 PolarHBondContact O-OG1 3.46Å; T496-L499 PolarHBondContact O-N 2.71Å; T496-A500 WeakPolarHBondContact O-CB 3.21Å; T496-A500 PolarHBondContact O-N 2.91Å; T496-F594 HydrophobicContact CG2-CB 4.36Å; T496-F594 HydrophobicContact CG2-CD2 3.65Å; T496-F594 HydrophobicContact CG2-CE2 4.42Å; T496-F594 HydrophobicContact CG2-CG 4.38Å; T496-A597 HydrophobicContact CG2-CB 3.4Å
497L90.7Very high89.6Confident92 Ų9261.2 Ų61.248%0.48232%0.321SS..Hα-helixtrans-64-41.9176.9-73.6170.5000112.1W481 F493 T494 R495 A500 W501W481-L497 HydrophobicContact CH2-CD1 4.45Å; W481-L497 HydrophobicContact CZ2-CD1 4.13Å; F493-L497 WeakPolarHBondContact O-CB 3.38Å; F493-L497 VanDerWaalsContact O-CG 3.31Å; F493-L497 WeakPolarHBondContact O-CG 3.34Å; F493-L497 PolarHBondContact O-N 2.91Å; T494-L497 PolarHBondContact O-N 3.07Å; R495-L497 VanDerWaalsContact C-N 3.35Å; L497-A500 PolarHBondContact O-N 2.85Å; L497-W501 WeakPolarHBondContact O-CA 3.03Å; L497-W501 WeakPolarHBondContact O-CB 3.44Å; L497-W501 PolarHBondContact O-N 2.93Å
498Y91Very high89.8Confident193 Ų19361.8 Ų61.876%0.75733%0.325SS*.Hα-helixtrans-63.1-47.3178-177.3-97.7000111.9T494 R495 W501T494-Y498 WeakPolarHBondContact O-CB 3.4Å; T494-Y498 PolarHBondContact O-N 3.41Å; R495-Y498 PolarHBondContact O-N 3.28Å; Y498-W501 PolarHBondContact O-N 3.42Å
499L92.6Very high90.4Very high58 Ų5863.1 Ų63.130%0.30433%0.325SS..Hα-helixtrans-67-38.7178.1-68.9172.6000112.1R495 T496 W501 Y593 A597 I600R495-L499 HydrophobicContact CG-CD1 3.98Å; R495-L499 HydrophobicContact CG-CG 4.39Å; R495-L499 WeakPolarHBondContact O-CB 3.16Å; R495-L499 VanDerWaalsContact O-CG 3.31Å; R495-L499 WeakPolarHBondContact O-CG 2.92Å; R495-L499 PolarHBondContact O-N 2.82Å; T496-L499 PolarHBondContact O-N 2.71Å; L499-W501 VanDerWaalsContact C-N 3.35Å; L499-Y593 HydrophobicContact CB-CD1 4.03Å; L499-Y593 WeakPolarHBondContact O-CE1 3.5Å; L499-A597 HydrophobicContact CD1-CB 4.21Å; L499-I600 HydrophobicContact CD1-CD1 4.22Å
500A93.5Very high90.6Very high3 Ų362.3 Ų62.33%0.02533%0.326CS..Hα-helixtrans-80.8-12.3-179.200000113.2T496 L497 S502 A503 V504 L589 Y593T496-A500 WeakPolarHBondContact O-CB 3.21Å; T496-A500 PolarHBondContact O-N 2.91Å; L497-A500 PolarHBondContact O-N 2.85Å; A500-S502 VanDerWaalsContact C-N 3.33Å; A500-S502 PolarHBondContact O-N 2.94Å; A500-A503 PolarHBondContact O-N 3.36Å; A500-A503 VanDerWaalsContact O-N 3.1Å; A500-V504 HydrophobicContact CB-CG2 3.86Å; A500-V504 WeakPolarHBondContact O-CB 3.37Å; A500-V504 VanDerWaalsContact O-CG2 3.31Å; A500-V504 WeakPolarHBondContact O-CG2 3.25Å; A500-V504 PolarHBondContact O-N 3.37Å; A500-L589 HydrophobicContact CB-CD2 4.48Å; A500-Y593 HydrophobicContact CB-CD1 4.21Å; A500-Y593 HydrophobicContact CB-CD2 3.58Å; A500-Y593 HydrophobicContact CB-CE2 4.26Å; A500-Y593 HydrophobicContact CB-CG 3.57Å
501W92.1Very high90.6Very high179 Ų17961.8 Ų61.868%0.67833%0.326SS*.Hα-helixtrans-55.8-44.2-167.1178.5-109.3000113.3L497 Y498 L499 A505L497-W501 WeakPolarHBondContact O-CA 3.03Å; L497-W501 WeakPolarHBondContact O-CB 3.44Å; L497-W501 PolarHBondContact O-N 2.93Å; Y498-W501 PolarHBondContact O-N 3.42Å; L499-W501 VanDerWaalsContact C-N 3.35Å; W501-A505 WeakPolarHBondContact O-CB 3.28Å; W501-A505 PolarHBondContact O-N 3.4Å
502S92.8Very high90.8Very high85 Ų8562 Ų6259%0.59433%0.332SS*.Hα-helixtrans-64.2-43.5179.555.70000112.2A500 S506A500-S502 VanDerWaalsContact C-N 3.33Å; A500-S502 PolarHBondContact O-N 2.94Å; S502-S506 PolarHBondContact O-N 3.34Å; S502-S506 PolarHBondContact O-OG 3.39Å
503A92.7Very high90.9Very high15 Ų1567 Ų6712%0.12436%0.358CS..Hα-helixtrans-75.1-35.3-179.800000112.7A500 S506 T507 L589 Y593A500-A503 PolarHBondContact O-N 3.36Å; A500-A503 VanDerWaalsContact O-N 3.1Å; A503-S506 WeakPolarHBondContact CA-OG 3.31Å; A503-S506 PolarHBondContact O-OG 2.91Å; A503-T507 WeakPolarHBondContact O-CB 3.37Å; A503-T507 WeakPolarHBondContact O-CG2 3.16Å; A503-T507 PolarHBondContact O-N 2.83Å; A503-T507 PolarHBondContact O-OG1 3.44Å; A503-L589 HydrophobicContact CB-CD1 3.98Å; A503-L589 HydrophobicContact CB-CD2 4.14Å; A503-L589 HydrophobicContact CB-CG 4.36Å; A503-Y593 HydrophobicContact CB-CE2 3.55Å; A503-Y593 VanDerWaalsContact CB-OH 3.28Å; A503-Y593 WeakPolarHBondContact CB-OH 3.47Å
504V90.5Very high90.9Very high26 Ų2666.7 Ų66.716%0.15836%0.356CS..Hα-helixtrans-66.8-42.9172.5169.90000110.4A500 T507 A508 F586 L589 I590A500-V504 HydrophobicContact CB-CG2 3.86Å; A500-V504 WeakPolarHBondContact O-CB 3.37Å; A500-V504 VanDerWaalsContact O-CG2 3.31Å; A500-V504 WeakPolarHBondContact O-CG2 3.25Å; A500-V504 PolarHBondContact O-N 3.37Å; V504-T507 WeakPolarHBondContact CA-OG1 3.32Å; V504-T507 PolarHBondContact O-N 3.26Å; V504-T507 PolarHBondContact O-OG1 2.84Å; V504-A508 WeakPolarHBondContact O-CB 3.4Å; V504-A508 PolarHBondContact O-N 3.03Å; V504-F586 HydrophobicContact CG1-CE2 3.98Å; V504-L589 HydrophobicContact CG2-CD2 3.6Å; V504-I590 HydrophobicContact CG2-CG1 4.4Å
505A91.1Very high90.9Very high32 Ų3265.2 Ų65.226%0.26435%0.347SS..Hα-helixtrans-64-43.6177.400000111.7W501 A508 I509W501-A505 WeakPolarHBondContact O-CB 3.28Å; W501-A505 PolarHBondContact O-N 3.4Å; A505-A508 PolarHBondContact O-N 3.27Å; A505-I509 VanDerWaalsContact O-CG1 3.28Å; A505-I509 WeakPolarHBondContact O-CG1 3.22Å; A505-I509 PolarHBondContact O-N 3.19Å
506S91.9Very high91Very high69 Ų6964.4 Ų64.448%0.48335%0.348SS..Hα-helixtrans-66-42.6177.965.80000112.4S502 A503 I509 A510S502-S506 PolarHBondContact O-N 3.34Å; S502-S506 PolarHBondContact O-OG 3.39Å; A503-S506 WeakPolarHBondContact CA-OG 3.31Å; A503-S506 PolarHBondContact O-OG 2.91Å; S506-I509 PolarHBondContact O-N 3.46Å; S506-A510 PolarHBondContact O-N 3.06Å
507T89.9Confident91Very high27 Ų2766 Ų6617%0.16637%0.365CS..Hα-helixtrans-66.5-38.3174.950.10000112.6A503 V504 I509 A510 I511 L589A503-T507 WeakPolarHBondContact O-CB 3.37Å; A503-T507 WeakPolarHBondContact O-CG2 3.16Å; A503-T507 PolarHBondContact O-N 2.83Å; A503-T507 PolarHBondContact O-OG1 3.44Å; V504-T507 WeakPolarHBondContact CA-OG1 3.32Å; V504-T507 PolarHBondContact O-N 3.26Å; V504-T507 PolarHBondContact O-OG1 2.84Å; T507-I509 PolarHBondContact O-N 3.06Å; T507-A510 PolarHBondContact O-N 3.24Å; T507-I511 VanDerWaalsContact O-CG1 3.26Å; T507-I511 WeakPolarHBondContact O-CG1 3.32Å; T507-I511 PolarHBondContact O-N 3.42Å; T507-L589 HydrophobicContact CG2-CD1 3.47Å; T507-L589 VanDerWaalsContact CG2-CD1 3.47Å
508A89Confident91Very high41 Ų4162.5 Ų62.534%0.33935%0.346SS..Hα-helixtrans-61.6-42.2174.100000111.9V504 A505 I511 V512V504-A508 WeakPolarHBondContact O-CB 3.4Å; V504-A508 PolarHBondContact O-N 3.03Å; A505-A508 PolarHBondContact O-N 3.27Å; A508-I511 PolarHBondContact O-N 2.86Å; A508-V512 VanDerWaalsContact O-CG2 3.3Å; A508-V512 WeakPolarHBondContact O-CG2 3.35Å; A508-V512 PolarHBondContact O-N 3.47Å
509I91.3Very high91.1Very high104 Ų10453.3 Ų53.353%0.53331%0.31SS..Hα-helixtrans-61.1-45.3174.5-69.5164.5000110.5A505 S506 T507 I511 V512 I513A505-I509 VanDerWaalsContact O-CG1 3.28Å; A505-I509 WeakPolarHBondContact O-CG1 3.22Å; A505-I509 PolarHBondContact O-N 3.19Å; S506-I509 PolarHBondContact O-N 3.46Å; T507-I509 PolarHBondContact O-N 3.06Å; I509-I511 VanDerWaalsContact C-N 3.34Å; I509-I511 PolarHBondContact O-N 3.43Å; I509-V512 PolarHBondContact O-N 2.88Å; I509-I513 HydrophobicContact CG2-CD1 3.71Å; I509-I513 HydrophobicContact CG2-CG1 4.37Å; I509-I513 VanDerWaalsContact O-CG1 3.27Å; I509-I513 WeakPolarHBondContact O-CG1 3.42Å; I509-I513 PolarHBondContact O-N 3.15Å
510A90.3Very high91.2Very high57 Ų5756 Ų5647%0.47132%0.32SS..Hα-helixtrans-60.6-42.1176.900000112.5S506 T507 I513 F514S506-A510 PolarHBondContact O-N 3.06Å; T507-A510 PolarHBondContact O-N 3.24Å; A510-I513 PolarHBondContact O-N 3.19Å; A510-F514 WeakPolarHBondContact O-CB 3.11Å; A510-F514 PolarHBondContact O-N 2.96Å
511I87.5Confident91.1Very high43 Ų4357.7 Ų57.722%0.22133%0.334CS..Hα-helixtrans-60.6-46.9174.7-69.9162.9000110.8T507 A508 I509 F514 L515 L582T507-I511 VanDerWaalsContact O-CG1 3.26Å; T507-I511 WeakPolarHBondContact O-CG1 3.32Å; T507-I511 PolarHBondContact O-N 3.42Å; A508-I511 PolarHBondContact O-N 2.86Å; I509-I511 VanDerWaalsContact C-N 3.34Å; I509-I511 PolarHBondContact O-N 3.43Å; I511-F514 PolarHBondContact O-N 3.21Å; I511-L515 VanDerWaalsContact O-CB 3.28Å; I511-L515 WeakPolarHBondContact O-CB 3.28Å; I511-L515 PolarHBondContact O-N 3.4Å; I511-L582 HydrophobicContact CB-CD1 4.41Å; I511-L582 HydrophobicContact CD1-CB 4.45Å; I511-L582 HydrophobicContact CG1-CB 4.3Å; I511-L582 HydrophobicContact CG1-CD1 4.06Å; I511-L582 HydrophobicContact CG1-CD2 3.91Å; I511-L582 HydrophobicContact CG1-CG 4.29Å; I511-L582 HydrophobicContact CG2-CD1 3.96Å
512V88.3Confident91Very high63 Ų6349.1 Ų49.138%0.38230%0.302SS..Hα-helixtrans-64.1-42.9-179.6169.70000111.2A508 I509 L515 I516A508-V512 VanDerWaalsContact O-CG2 3.3Å; A508-V512 WeakPolarHBondContact O-CG2 3.35Å; A508-V512 PolarHBondContact O-N 3.47Å; I509-V512 PolarHBondContact O-N 2.88Å; V512-L515 PolarHBondContact O-N 3.47Å; V512-I516 HydrophobicContact CG1-CD1 3.69Å; V512-I516 HydrophobicContact CG1-CG1 4.32Å; V512-I516 WeakPolarHBondContact O-CB 3.46Å; V512-I516 VanDerWaalsContact O-CG1 3.26Å; V512-I516 WeakPolarHBondContact O-CG1 3.25Å; V512-I516 PolarHBondContact O-N 3.2Å
513I92.1Very high91Very high114 Ų11446.6 Ų46.659%0.58528%0.282SS*.Hα-helixtrans-60.7-47.5176.6-68.3165.7000110.5I509 A510 L515 I516 G517I509-I513 HydrophobicContact CG2-CD1 3.71Å; I509-I513 HydrophobicContact CG2-CG1 4.37Å; I509-I513 VanDerWaalsContact O-CG1 3.27Å; I509-I513 WeakPolarHBondContact O-CG1 3.42Å; I509-I513 PolarHBondContact O-N 3.15Å; A510-I513 PolarHBondContact O-N 3.19Å; I513-L515 VanDerWaalsContact C-N 3.35Å; I513-L515 PolarHBondContact O-N 2.95Å; I513-I516 PolarHBondContact O-N 2.97Å; I513-G517 PolarHBondContact O-N 3.4Å
514F90Very high91Very high73 Ų7351 Ų5132%0.3231%0.308SS..Hα-helixtrans-59.9-46176.7178-94.8000111.5A510 I511 G517 F518 V573 V577 I578 L582A510-F514 WeakPolarHBondContact O-CB 3.11Å; A510-F514 PolarHBondContact O-N 2.96Å; I511-F514 PolarHBondContact O-N 3.21Å; F514-G517 PolarHBondContact O-N 3.39Å; F514-F518 HydrophobicContact CE1-CB 4.47Å; F514-F518 WeakPolarHBondContact O-CB 3.3Å; F514-F518 PolarHBondContact O-N 3.29Å; F514-V573 HydrophobicContact CZ-CG1 3.88Å; F514-V577 HydrophobicContact CD1-CG1 4.36Å; F514-V577 HydrophobicContact CE1-CB 4.13Å; F514-V577 HydrophobicContact CE1-CG1 3.62Å; F514-V577 HydrophobicContact CE2-CG1 4.01Å; F514-V577 HydrophobicContact CZ-CB 3.88Å; F514-V577 HydrophobicContact CZ-CG1 3.41Å; F514-V577 VanDerWaalsContact CZ-CG1 3.41Å; F514-V577 HydrophobicContact CZ-CG2 4.36Å; F514-I578 HydrophobicContact CD1-CG1 4.37Å; F514-I578 HydrophobicContact CE1-CD1 4.17Å; F514-I578 HydrophobicContact CE1-CG1 3.8Å; F514-L582 HydrophobicContact CD1-CD1 4.25Å
515L89.5Confident91.1Very high9 Ų951.7 Ų51.75%0.04731%0.31CS..Hα-helixtrans-64.9-41.9-178.5-165.9155.8000111.3I511 V512 I513 F518 C519 M540I511-L515 VanDerWaalsContact O-CB 3.28Å; I511-L515 WeakPolarHBondContact O-CB 3.28Å; I511-L515 PolarHBondContact O-N 3.4Å; V512-L515 PolarHBondContact O-N 3.47Å; I513-L515 VanDerWaalsContact C-N 3.35Å; I513-L515 PolarHBondContact O-N 2.95Å; L515-F518 PolarHBondContact O-N 2.78Å; L515-C519 WeakPolarHBondContact CD2-SG 3.49Å; L515-C519 WeakPolarHBondContact O-CB 3.36Å; L515-C519 PolarHBondContact O-N 3.22Å; L515-C519 PolarHBondContact O-SG 2.94Å; L515-M540 HydrophobicContact CD2-CB 3.82Å; L515-M540 HydrophobicContact CD2-CE 3.96Å; L515-M540 HydrophobicContact CD2-CG 3.37Å; L515-M540 HydrophobicContact CD2-SD 3.78Å
516I92Very high91Very high60 Ų6050.2 Ų50.231%0.30830%0.298SS..Hα-helixtrans-60.1-48.5174.5-71.2167.9000110.3V512 I513 F518 C519 F520 M540V512-I516 HydrophobicContact CG1-CD1 3.69Å; V512-I516 HydrophobicContact CG1-CG1 4.32Å; V512-I516 WeakPolarHBondContact O-CB 3.46Å; V512-I516 VanDerWaalsContact O-CG1 3.26Å; V512-I516 WeakPolarHBondContact O-CG1 3.25Å; V512-I516 PolarHBondContact O-N 3.2Å; I513-I516 PolarHBondContact O-N 2.97Å; I516-F518 PolarHBondContact O-N 2.77Å; I516-C519 PolarHBondContact O-N 2.85Å; I516-F520 HydrophobicContact CG2-CD2 3.75Å; I516-F520 HydrophobicContact CG2-CE2 3.51Å; I516-F520 VanDerWaalsContact O-CD2 3.22Å; I516-F520 WeakPolarHBondContact O-CD2 3.15Å; I516-F520 PolarHBondContact O-N 3.01Å; I516-M540 HydrophobicContact CG1-SD 4.43Å
517G92.8Very high90.9Very high42 Ų4247.3 Ų47.343%0.43328%0.279SS..Hα-helixtrans-60.2-43.5177.800000112.9I513 F514 F520 A521I513-G517 PolarHBondContact O-N 3.4Å; F514-G517 PolarHBondContact O-N 3.39Å; G517-F520 PolarHBondContact O-N 2.93Å; G517-A521 PolarHBondContact O-N 2.86Å
518F91.3Very high90.7Very high19 Ų1953.3 Ų53.38%0.08331%0.31CS..Hα-helixtrans-63.6-42.2174.8-179.8-100.7000112.1F514 L515 I516 F520 A521 V522 C570 V573 L574 I578F514-F518 HydrophobicContact CE1-CB 4.47Å; F514-F518 WeakPolarHBondContact O-CB 3.3Å; F514-F518 PolarHBondContact O-N 3.29Å; L515-F518 PolarHBondContact O-N 2.78Å; I516-F518 PolarHBondContact O-N 2.77Å; F518-F520 VanDerWaalsContact C-N 3.35Å; F518-F520 PolarHBondContact O-N 3.1Å; F518-A521 WeakPolarHBondContact O-CB 3.22Å; F518-A521 PolarHBondContact O-N 2.87Å; F518-A521 VanDerWaalsContact O-N 3.15Å; F518-V522 HydrophobicContact CD1-CG2 4.02Å; F518-V522 HydrophobicContact CE1-CG2 3.47Å; F518-V522 VanDerWaalsContact CE1-CG2 3.47Å; F518-V522 HydrophobicContact CE2-CG2 4.14Å; F518-V522 HydrophobicContact CZ-CG2 3.53Å; F518-V522 PolarHBondContact O-N 2.88Å; F518-C570 HydrophobicContact CE2-CB 4.42Å; F518-C570 HydrophobicContact CZ-CB 4.35Å; F518-C570 WeakPolarHBondContact CZ-O 3.32Å; F518-V573 HydrophobicContact CD2-CB 4.49Å; F518-V573 HydrophobicContact CD2-CG1 3.76Å; F518-V573 HydrophobicContact CE2-CB 3.99Å; F518-V573 HydrophobicContact CE2-CG1 3.74Å; F518-L574 HydrophobicContact CD1-CD1 4.48Å; F518-L574 HydrophobicContact CE1-CB 4.2Å; F518-L574 HydrophobicContact CE1-CD1 3.73Å; F518-L574 HydrophobicContact CE1-CG 4.45Å; F518-L574 HydrophobicContact CZ-CB 3.83Å; F518-L574 HydrophobicContact CZ-CD1 4.25Å; F518-I578 HydrophobicContact CD1-CD1 4.25Å
519C92.4Very high90.6Very high0 Ų059.1 Ų59.10%033%0.325CS..Hα-helixtrans-66.1-36.2178.2-70.60000112.2L515 I516 A521 V522 V523 M540L515-C519 WeakPolarHBondContact CD2-SG 3.49Å; L515-C519 WeakPolarHBondContact O-CB 3.36Å; L515-C519 PolarHBondContact O-N 3.22Å; L515-C519 PolarHBondContact O-SG 2.94Å; I516-C519 PolarHBondContact O-N 2.85Å; C519-A521 VanDerWaalsContact C-N 3.3Å; C519-A521 PolarHBondContact O-N 3.44Å; C519-V522 PolarHBondContact O-N 3.15Å; C519-V523 WeakPolarHBondContact O-CB 3.41Å; C519-V523 WeakPolarHBondContact O-CG2 3.5Å; C519-V523 PolarHBondContact O-N 3.2Å; C519-M540 VanDerWaalsContact SG-CA 3.51Å
520F93.5Very high90.4Very high114 Ų11454.4 Ų54.450%0.530%0.301SS..Hα-helixtrans-56.5-46.1170.7-87.5-68.1000111.2I516 G517 F518 T524 L536I516-F520 HydrophobicContact CG2-CD2 3.75Å; I516-F520 HydrophobicContact CG2-CE2 3.51Å; I516-F520 VanDerWaalsContact O-CD2 3.22Å; I516-F520 WeakPolarHBondContact O-CD2 3.15Å; I516-F520 PolarHBondContact O-N 3.01Å; G517-F520 PolarHBondContact O-N 2.93Å; F518-F520 VanDerWaalsContact C-N 3.35Å; F518-F520 PolarHBondContact O-N 3.1Å; F520-T524 WeakPolarHBondContact O-CB 3.23Å; F520-T524 VanDerWaalsContact O-CG2 3.22Å; F520-T524 WeakPolarHBondContact O-CG2 3.19Å; F520-T524 PolarHBondContact O-N 3.2Å; F520-T524 PolarHBondContact O-OG1 3.19Å; F520-L536 HydrophobicContact CD1-CD1 3.55Å; F520-L536 HydrophobicContact CD2-CD1 3.96Å; F520-L536 HydrophobicContact CE1-CD1 3.36Å; F520-L536 HydrophobicContact CE2-CD1 3.78Å; F520-L536 HydrophobicContact CG-CD1 3.85Å; F520-L536 HydrophobicContact CZ-CD1 3.48Å; F520-L536 VanDerWaalsContact CZ-CD1 3.48Å
521A91.5Very high90Very high39 Ų3955.4 Ų55.432%0.32230%0.304SS..Hα-helixtrans-62.7-47.8176.300000112G517 F518 C519 V523 T524 I525G517-A521 PolarHBondContact O-N 2.86Å; F518-A521 WeakPolarHBondContact O-CB 3.22Å; F518-A521 PolarHBondContact O-N 2.87Å; F518-A521 VanDerWaalsContact O-N 3.15Å; C519-A521 VanDerWaalsContact C-N 3.3Å; C519-A521 PolarHBondContact O-N 3.44Å; A521-V523 PolarHBondContact O-N 3.41Å; A521-T524 PolarHBondContact O-N 2.86Å; A521-T524 PolarHBondContact O-OG1 3.29Å; A521-I525 HydrophobicContact CB-CD1 4.39Å; A521-I525 VanDerWaalsContact O-CB 3.3Å; A521-I525 WeakPolarHBondContact O-CB 3.25Å; A521-I525 WeakPolarHBondContact O-CD1 3.43Å; A521-I525 WeakPolarHBondContact O-CG1 3.36Å; A521-I525 PolarHBondContact O-N 3Å
522V91.2Very high90Very high0 Ų054.4 Ų54.40%030%0.299CS..Hα-helixtrans-63.4-40.6-178.9174.40000112.2F518 C519 N526 F533 L559F518-V522 HydrophobicContact CD1-CG2 4.02Å; F518-V522 HydrophobicContact CE1-CG2 3.47Å; F518-V522 VanDerWaalsContact CE1-CG2 3.47Å; F518-V522 HydrophobicContact CE2-CG2 4.14Å; F518-V522 HydrophobicContact CZ-CG2 3.53Å; F518-V522 PolarHBondContact O-N 2.88Å; C519-V522 PolarHBondContact O-N 3.15Å; V522-N526 WeakPolarHBondContact O-CB 3.46Å; V522-N526 PolarHBondContact O-N 3.11Å; V522-F533 HydrophobicContact CG1-CB 4.21Å; V522-F533 HydrophobicContact CG1-CD1 3.42Å; V522-F533 VanDerWaalsContact CG1-CD1 3.42Å; V522-F533 HydrophobicContact CG1-CD2 4.28Å; V522-F533 HydrophobicContact CG1-CE1 3.76Å; V522-F533 HydrophobicContact CG1-CG 3.72Å; V522-F533 HydrophobicContact CG1-CZ 4.33Å; V522-L559 HydrophobicContact CG1-CD2 3.87Å; V522-L559 HydrophobicContact CG2-CD2 4.17Å
523V92.8Very high90Very high31 Ų3151.5 Ų51.519%0.18828%0.281CS..Hα-helixtrans-66.8-44.8178.31730000110.8C519 A521 I525 G527 F533 S539C519-V523 WeakPolarHBondContact O-CB 3.41Å; C519-V523 WeakPolarHBondContact O-CG2 3.5Å; C519-V523 PolarHBondContact O-N 3.2Å; A521-V523 PolarHBondContact O-N 3.41Å; V523-I525 VanDerWaalsContact C-N 3.29Å; V523-I525 PolarHBondContact O-N 2.85Å; V523-G527 WeakPolarHBondContact O-CA 3.31Å; V523-G527 PolarHBondContact O-N 3.34Å; V523-F533 WeakPolarHBondContact CG2-O 3.23Å; V523-S539 VanDerWaalsContact CG2-CB 3.42Å
524T92.4Very high89.7Confident108 Ų10849.1 Ų49.166%0.66327%0.27SS*.Hα-helixtrans-66-34.7179.754.50000112.2F520 A521F520-T524 WeakPolarHBondContact O-CB 3.23Å; F520-T524 VanDerWaalsContact O-CG2 3.22Å; F520-T524 WeakPolarHBondContact O-CG2 3.19Å; F520-T524 PolarHBondContact O-N 3.2Å; F520-T524 PolarHBondContact O-OG1 3.19Å; A521-T524 PolarHBondContact O-N 2.86Å; A521-T524 PolarHBondContact O-OG1 3.29Å
525I91.7Very high89.6Confident41 Ų4150.7 Ų50.721%0.2128%0.277CS..Hα-helixtrans-78.9-49.4-178.4-66.3165.6000112.1A521 V523 L566A521-I525 HydrophobicContact CB-CD1 4.39Å; A521-I525 VanDerWaalsContact O-CB 3.3Å; A521-I525 WeakPolarHBondContact O-CB 3.25Å; A521-I525 WeakPolarHBondContact O-CD1 3.43Å; A521-I525 WeakPolarHBondContact O-CG1 3.36Å; A521-I525 PolarHBondContact O-N 3Å; V523-I525 VanDerWaalsContact C-N 3.29Å; V523-I525 PolarHBondContact O-N 2.85Å; I525-L566 HydrophobicContact CB-CD2 4.18Å; I525-L566 HydrophobicContact CD1-CD1 4.37Å; I525-L566 HydrophobicContact CD1-CD2 3.47Å; I525-L566 VanDerWaalsContact CD1-CD2 3.47Å; I525-L566 HydrophobicContact CD1-CG 3.84Å; I525-L566 HydrophobicContact CG1-CD2 3.63Å; I525-L566 HydrophobicContact CG2-CD2 3.43Å; I525-L566 VanDerWaalsContact CG2-CD2 3.43Å; I525-L566 HydrophobicContact CG2-CG 4.32Å
526N89.9Confident89.7Confident0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-114.2-9.2-167.2-65.8-57.6000113.9V522 N528 Y529 S530 L559 H561 G562V522-N526 WeakPolarHBondContact O-CB 3.46Å; V522-N526 PolarHBondContact O-N 3.11Å; N526-N528 VanDerWaalsContact C-N 3.25Å; N526-N528 PolarHBondContact O-N 2.74Å; N526-N528 VanDerWaalsContact O-N 3.17Å; N526-Y529 PolarHBondContact O-N 3.22Å; N526-Y529 VanDerWaalsContact O-N 3.07Å; N526-S530 PolarHBondContact O-N 3.24Å; N526-S530 VanDerWaalsContact O-N 3.11Å; N526-L559 PolarHBondContact ND2-O 2.93Å; N526-L559 PolarHBondContact OD1-O 3.41Å; N526-H561 WeakPolarHBondContact OD1-CB 3.45Å; N526-H561 PolarHBondContact OD1-N 2.92Å; N526-H561 VanDerWaalsContact OD1-N 3.15Å; N526-G562 PolarHBondContact OD1-N 2.65Å
527G88.8Confident89.6Confident9 Ų955.3 Ų55.39%0.09331%0.305CS..THydrogen-bonded Turntrans-63.5-24.9-169.200000115.2V523 Y529 F533V523-G527 WeakPolarHBondContact O-CA 3.31Å; V523-G527 PolarHBondContact O-N 3.34Å; G527-Y529 VanDerWaalsContact C-N 3.33Å; G527-F533 VanDerWaalsContact CA-O 3.25Å; G527-F533 WeakPolarHBondContact CA-O 3.37Å
528N86.7Confident89.4Confident153 Ų15357.2 Ų57.282%0.81830%0.302SS*.THydrogen-bonded Turntrans-73.2-24.3176.8-71-8.9000113.4N526N526-N528 VanDerWaalsContact C-N 3.25Å; N526-N528 PolarHBondContact O-N 2.74Å; N526-N528 VanDerWaalsContact O-N 3.17Å
529Y87.2Confident89.4Confident163 Ų16356.3 Ų56.364%0.63930%0.298SS*.THydrogen-bonded Turntrans-111.3-21.2-172-60.6-73.8000113.5N526 G527 H561N526-Y529 PolarHBondContact O-N 3.22Å; N526-Y529 VanDerWaalsContact O-N 3.07Å; G527-Y529 VanDerWaalsContact C-N 3.33Å; Y529-H561 HydrophobicContact CD2-CB 3.92Å; Y529-H561 HydrophobicContact CG-CB 4.1Å
530S86.7Confident89.3Confident5 Ų558.9 Ų58.94%0.03531%0.311CS..  trans-109.6126.1177.2166.20000111.1N526 N532 F533 N534 E558N526-S530 PolarHBondContact O-N 3.24Å; N526-S530 VanDerWaalsContact O-N 3.11Å; S530-N532 PolarHBondContact O-N 2.86Å; S530-N532 WeakPolarHBondContact OG-CB 3.45Å; S530-N532 PolarHBondContact OG-N 3.38Å; S530-F533 PolarHBondContact O-N 3.13Å; S530-F533 WeakPolarHBondContact OG-CD2 3.26Å; S530-F533 PolarHBondContact OG-N 3.38Å; S530-N534 PolarHBondContact O-N 3.17Å; S530-E558 PolarHBondContact OG-OE2 2.89Å
531S82.6Confident89.1Confident78 Ų7857 Ų5755%0.54531%0.308SS..SBendtrans-64.2-20.1171.3660000112.5N534 K538S531-N534 PolarHBondContact O-OD1 2.93Å; S531-N534 VanDerWaalsContact O-OD1 3.11Å; S531-K538 WeakPolarHBondContact O-CD 3.43Å; S531-K538 WeakPolarHBondContact O-CE 3.35Å; S531-K538 PolarHBondContact O-NZ 3.27Å
532N86.4Confident88.9Confident21 Ų2155.6 Ų55.611%0.11230%0.295CS..SBendtrans-81.8-29.6179.7-70.9-34.5000112.8S530 K538 M542 Q553 E558S530-N532 PolarHBondContact O-N 2.86Å; S530-N532 WeakPolarHBondContact OG-CB 3.45Å; S530-N532 PolarHBondContact OG-N 3.38Å; N532-K538 WeakPolarHBondContact O-CG 3.39Å; N532-M542 HydrophobicContact CB-CG 4.03Å; N532-Q553 PolarHBondContact ND2-O 3.41Å; N532-E558 WeakPolarHBondContact CB-OE2 3.31Å; N532-E558 VanDerWaalsContact ND2-CD 3.32Å; N532-E558 PolarHBondContact ND2-OE1 3.05Å; N532-E558 PolarHBondContact ND2-OE2 3.16Å
533F87.5Confident88.8Confident2 Ų255.6 Ų55.61%0.00930%0.295CS..SBendtrans-107.413.2-177.4-60.2-64.3000113.8V522 V523 G527 S530 S539 M542 V554 E558 L559V522-F533 HydrophobicContact CG1-CB 4.21Å; V522-F533 HydrophobicContact CG1-CD1 3.42Å; V522-F533 VanDerWaalsContact CG1-CD1 3.42Å; V522-F533 HydrophobicContact CG1-CD2 4.28Å; V522-F533 HydrophobicContact CG1-CE1 3.76Å; V522-F533 HydrophobicContact CG1-CG 3.72Å; V522-F533 HydrophobicContact CG1-CZ 4.33Å; V523-F533 WeakPolarHBondContact CG2-O 3.23Å; G527-F533 VanDerWaalsContact CA-O 3.25Å; G527-F533 WeakPolarHBondContact CA-O 3.37Å; S530-F533 PolarHBondContact O-N 3.13Å; S530-F533 WeakPolarHBondContact OG-CD2 3.26Å; S530-F533 PolarHBondContact OG-N 3.38Å; F533-S539 WeakPolarHBondContact CD1-OG 3.37Å; F533-M542 HydrophobicContact CE1-CB 4.1Å; F533-V554 HydrophobicContact CE2-CG1 4.42Å; F533-V554 HydrophobicContact CZ-CG1 4.02Å; F533-E558 HydrophobicContact CD2-CB 4.25Å; F533-E558 HydrophobicContact CE2-CB 3.83Å; F533-L559 HydrophobicContact CE2-CD2 4.35Å; F533-L559 HydrophobicContact CE2-CG 4.4Å; F533-L559 HydrophobicContact CZ-CD2 4.16Å; F533-L559 HydrophobicContact CZ-CG 4.42Å
534N86.7Confident88.4Confident65 Ų6558.6 Ų58.635%0.34831%0.308SS..SBendtrans-73.4-32.1-176.967.6-8.2000114.5S530 S531S530-N534 PolarHBondContact O-N 3.17Å; S531-N534 PolarHBondContact O-OD1 2.93Å; S531-N534 VanDerWaalsContact O-OD1 3.11Å
535K87.9Confident88Confident106 Ų10655.1 Ų55.146%0.46129%0.288SS..SBendtrans-115.1140.8179.5-67.5179.1-177.1178.10109.2V537 K538 S539K535-V537 PolarHBondContact O-N 2.95Å; K535-K538 HydrophobicContact CB-CB 3.96Å; K535-K538 PolarHBondContact O-N 3.26Å; K535-S539 WeakPolarHBondContact O-CB 3.24Å; K535-S539 PolarHBondContact O-N 3.45Å
536L91Very high87.6Confident58 Ų5854.6 Ų54.630%0.30428%0.284SS..Hα-helixtrans-58.9-46.5-178.1-175.1128.5000113F520 K538 S539 M540F520-L536 HydrophobicContact CD1-CD1 3.55Å; F520-L536 HydrophobicContact CD2-CD1 3.96Å; F520-L536 HydrophobicContact CE1-CD1 3.36Å; F520-L536 HydrophobicContact CE2-CD1 3.78Å; F520-L536 HydrophobicContact CG-CD1 3.85Å; F520-L536 HydrophobicContact CZ-CD1 3.48Å; F520-L536 VanDerWaalsContact CZ-CD1 3.48Å; L536-K538 PolarHBondContact O-N 3.44Å; L536-S539 WeakPolarHBondContact O-CB 3.11Å; L536-S539 PolarHBondContact O-N 2.97Å; L536-M540 WeakPolarHBondContact O-CB 3.08Å; L536-M540 PolarHBondContact O-N 2.96Å
537V90.9Very high87.3Confident107 Ų10755.1 Ų55.165%0.64829%0.287SS*.Hα-helixtrans-65.2-40.7177.8-179.10000111.1K535 M540 V541K535-V537 PolarHBondContact O-N 2.95Å; V537-M540 WeakPolarHBondContact O-CB 3.46Å; V537-M540 PolarHBondContact O-N 3.16Å; V537-V541 WeakPolarHBondContact O-CG2 3.2Å; V537-V541 PolarHBondContact O-N 3.41Å
538K88.9Confident86.8Confident82 Ų8260.9 Ų60.936%0.35731%0.31SS..Hα-helixtrans-62.4-49.2176.5-166-179.5-178.9-175.80110.2S531 N532 K535 L536 M540 V541 M542S531-K538 WeakPolarHBondContact O-CD 3.43Å; S531-K538 WeakPolarHBondContact O-CE 3.35Å; S531-K538 PolarHBondContact O-NZ 3.27Å; N532-K538 WeakPolarHBondContact O-CG 3.39Å; K535-K538 HydrophobicContact CB-CB 3.96Å; K535-K538 PolarHBondContact O-N 3.26Å; L536-K538 PolarHBondContact O-N 3.44Å; K538-M540 VanDerWaalsContact C-N 3.29Å; K538-M540 PolarHBondContact O-N 2.87Å; K538-V541 PolarHBondContact O-N 3.08Å; K538-V541 VanDerWaalsContact O-N 3.11Å; K538-M542 HydrophobicContact CG-CG 4.35Å; K538-M542 VanDerWaalsContact O-CG 3.24Å; K538-M542 WeakPolarHBondContact O-CG 3.28Å; K538-M542 PolarHBondContact O-N 3.35Å
539S90.4Very high86.5Confident0 Ų056.2 Ų56.20%030%0.298CS..Hα-helixtrans-54.2-43.7175.1178.40000112.3V523 F533 K535 L536 M542 C543V523-S539 VanDerWaalsContact CG2-CB 3.42Å; F533-S539 WeakPolarHBondContact CD1-OG 3.37Å; K535-S539 WeakPolarHBondContact O-CB 3.24Å; K535-S539 PolarHBondContact O-N 3.45Å; L536-S539 WeakPolarHBondContact O-CB 3.11Å; L536-S539 PolarHBondContact O-N 2.97Å; S539-M542 PolarHBondContact O-N 3.31Å; S539-C543 WeakPolarHBondContact O-CB 3.49Å; S539-C543 PolarHBondContact O-N 3.41Å; S539-C543 PolarHBondContact O-SG 3.42Å
540M89.7Confident86Confident55 Ų5555 Ų5527%0.27130%0.296SS..Hα-helixtrans-60-47.3175.6166.1157.5-169.400112.4L515 I516 C519 L536 V537 K538 M544L515-M540 HydrophobicContact CD2-CB 3.82Å; L515-M540 HydrophobicContact CD2-CE 3.96Å; L515-M540 HydrophobicContact CD2-CG 3.37Å; L515-M540 HydrophobicContact CD2-SD 3.78Å; I516-M540 HydrophobicContact CG1-SD 4.43Å; C519-M540 VanDerWaalsContact SG-CA 3.51Å; L536-M540 WeakPolarHBondContact O-CB 3.08Å; L536-M540 PolarHBondContact O-N 2.96Å; V537-M540 WeakPolarHBondContact O-CB 3.46Å; V537-M540 PolarHBondContact O-N 3.16Å; K538-M540 VanDerWaalsContact C-N 3.29Å; K538-M540 PolarHBondContact O-N 2.87Å; M540-M544 WeakPolarHBondContact O-CB 3.36Å; M540-M544 PolarHBondContact O-N 2.89Å
541V89.2Confident85.3Confident74 Ų7458.9 Ų58.945%0.44832%0.323SS..Hα-helixtrans-61.7-45.7175.4175.20000110.6V537 K538 C543 M544 C545V537-V541 WeakPolarHBondContact O-CG2 3.2Å; V537-V541 PolarHBondContact O-N 3.41Å; K538-V541 PolarHBondContact O-N 3.08Å; K538-V541 VanDerWaalsContact O-N 3.11Å; V541-C543 PolarHBondContact O-N 2.98Å; V541-M544 PolarHBondContact O-N 3.46Å; V541-C545 WeakPolarHBondContact O-CB 3.45Å; V541-C545 PolarHBondContact O-N 2.97Å; V541-C545 PolarHBondContact O-SG 3.47Å; V541-C545 VanDerWaalsContact O-SG 3.33Å
542M88.6Confident84.8Confident9 Ų960 Ų604%0.04434%0.338CS..Hα-helixtrans-64.7-42.1-179.3-59.9-41.1-66.100112.5N532 F533 K538 S539 M544 C545 Y546 Q553 V554N532-M542 HydrophobicContact CB-CG 4.03Å; F533-M542 HydrophobicContact CE1-CB 4.1Å; K538-M542 HydrophobicContact CG-CG 4.35Å; K538-M542 VanDerWaalsContact O-CG 3.24Å; K538-M542 WeakPolarHBondContact O-CG 3.28Å; K538-M542 PolarHBondContact O-N 3.35Å; S539-M542 PolarHBondContact O-N 3.31Å; M542-M544 VanDerWaalsContact C-N 3.33Å; M542-M544 PolarHBondContact O-N 3.13Å; M542-C545 PolarHBondContact O-N 3.04Å; M542-Y546 VanDerWaalsContact O-CB 3.28Å; M542-Y546 WeakPolarHBondContact O-CB 3.24Å; M542-Y546 PolarHBondContact O-N 2.9Å; M542-Q553 HydrophobicContact CE-CB 3.65Å; M542-V554 HydrophobicContact CB-CG2 3.91Å; M542-V554 HydrophobicContact CE-CG2 3.28Å; M542-V554 HydrophobicContact CG-CG2 4.5Å
543C88Confident84Confident1 Ų165.4 Ų65.41%0.00736%0.362CS..Hα-helixtrans-62.6-40.5175-67.90000111.4S539 V541 S547 L574S539-C543 WeakPolarHBondContact O-CB 3.49Å; S539-C543 PolarHBondContact O-N 3.41Å; S539-C543 PolarHBondContact O-SG 3.42Å; V541-C543 PolarHBondContact O-N 2.98Å; C543-S547 WeakPolarHBondContact O-CB 3.46Å; C543-S547 PolarHBondContact O-N 3.3Å; C543-S547 PolarHBondContact O-OG 3.11Å; C543-L574 HydrophobicContact CB-CD1 4.08Å
544M85.2Confident83.4Confident93 Ų9365.4 Ų65.446%0.45836%0.362SS..Hα-helixtrans-68.9-45.8177.6-169.6175.5-169.400111.9M540 V541 M542 Y546 S547 F548M540-M544 WeakPolarHBondContact O-CB 3.36Å; M540-M544 PolarHBondContact O-N 2.89Å; V541-M544 PolarHBondContact O-N 3.46Å; M542-M544 VanDerWaalsContact C-N 3.33Å; M542-M544 PolarHBondContact O-N 3.13Å; M544-Y546 VanDerWaalsContact C-N 3.31Å; M544-Y546 PolarHBondContact O-N 3.2Å; M544-S547 WeakPolarHBondContact O-CB 3.49Å; M544-S547 PolarHBondContact O-N 3.06Å; M544-S547 VanDerWaalsContact O-N 3.11Å; M544-F548 HydrophobicContact CE-CE2 3.66Å; M544-F548 HydrophobicContact CE-CZ 4.09Å; M544-F548 HydrophobicContact CG-CD2 4.08Å; M544-F548 HydrophobicContact CG-CE2 3.64Å; M544-F548 VanDerWaalsContact O-CD2 3.23Å; M544-F548 WeakPolarHBondContact O-CD2 3.2Å; M544-F548 PolarHBondContact O-N 2.82Å; M544-F548 VanDerWaalsContact O-N 3.13Å; M544-F548 HydrophobicContact SD-CE2 4.38Å
545C84.9Confident83.1Confident35 Ų3569 Ų6924%0.23638%0.375CS..Hα-helixtrans-57.2-45.4173.7-750000111.3V541 M542 S547 F548 G549 F550V541-C545 WeakPolarHBondContact O-CB 3.45Å; V541-C545 PolarHBondContact O-N 2.97Å; V541-C545 PolarHBondContact O-SG 3.47Å; V541-C545 VanDerWaalsContact O-SG 3.33Å; M542-C545 PolarHBondContact O-N 3.04Å; C545-S547 VanDerWaalsContact C-N 3.3Å; C545-S547 PolarHBondContact O-N 3.33Å; C545-F548 PolarHBondContact O-N 3.48Å; C545-G549 PolarHBondContact O-N 2.77Å; C545-F550 HydrophobicContact CB-CB 4.24Å; C545-F550 WeakPolarHBondContact O-CB 3.34Å; C545-F550 PolarHBondContact O-N 3.38Å
546Y83.2Confident82.8Confident31 Ų3166.8 Ų66.812%0.12237%0.371CS..Hα-helixtrans-60.3-41.5175.8-170.4-94.3000111.8M542 M544 F548 G549 V554 Y571 L574M542-Y546 VanDerWaalsContact O-CB 3.28Å; M542-Y546 WeakPolarHBondContact O-CB 3.24Å; M542-Y546 PolarHBondContact O-N 2.9Å; M544-Y546 VanDerWaalsContact C-N 3.31Å; M544-Y546 PolarHBondContact O-N 3.2Å; Y546-F548 VanDerWaalsContact C-N 3.29Å; Y546-F548 PolarHBondContact O-N 3.03Å; Y546-G549 PolarHBondContact O-N 2.77Å; Y546-V554 HydrophobicContact CD2-CB 4.02Å; Y546-V554 HydrophobicContact CD2-CG1 4.08Å; Y546-Y571 HydrophobicContact CE1-CE2 4.32Å; Y546-Y571 WeakPolarHBondContact OH-CE2 3.28Å; Y546-L574 HydrophobicContact CD1-CD2 3.23Å; Y546-L574 HydrophobicContact CD1-CG 3.85Å; Y546-L574 HydrophobicContact CE1-CD2 3.72Å; Y546-L574 HydrophobicContact CE1-CG 4.33Å; Y546-L574 HydrophobicContact CG-CD2 3.98Å
547S83.1Confident82.5Confident11 Ų1167.5 Ų67.58%0.07738%0.381CS..Hα-helixtrans-65.4-30.1-179.1-58.10000113.6C543 M544 C545 G549 I578C543-S547 WeakPolarHBondContact O-CB 3.46Å; C543-S547 PolarHBondContact O-N 3.3Å; C543-S547 PolarHBondContact O-OG 3.11Å; M544-S547 WeakPolarHBondContact O-CB 3.49Å; M544-S547 PolarHBondContact O-N 3.06Å; M544-S547 VanDerWaalsContact O-N 3.11Å; C545-S547 VanDerWaalsContact C-N 3.3Å; C545-S547 PolarHBondContact O-N 3.33Å; S547-G549 VanDerWaalsContact C-N 3.27Å; S547-I578 WeakPolarHBondContact OG-CG2 3.29Å
548F79Confident82.2Confident130 Ų13063.7 Ų63.757%0.5736%0.356SS*.THydrogen-bonded Turntrans-82.7-0.2172.6-70.4-60.3000113.9M544 C545 Y546 F550M544-F548 HydrophobicContact CE-CE2 3.66Å; M544-F548 HydrophobicContact CE-CZ 4.09Å; M544-F548 HydrophobicContact CG-CD2 4.08Å; M544-F548 HydrophobicContact CG-CE2 3.64Å; M544-F548 VanDerWaalsContact O-CD2 3.23Å; M544-F548 WeakPolarHBondContact O-CD2 3.2Å; M544-F548 PolarHBondContact O-N 2.82Å; M544-F548 VanDerWaalsContact O-N 3.13Å; M544-F548 HydrophobicContact SD-CE2 4.38Å; C545-F548 PolarHBondContact O-N 3.48Å; Y546-F548 VanDerWaalsContact C-N 3.29Å; Y546-F548 PolarHBondContact O-N 3.03Å; F548-F550 HydrophobicContact CB-CD2 3.74Å; F548-F550 HydrophobicContact CB-CE2 3.72Å
549G78.9Confident82.1Confident55 Ų5559.8 Ų59.857%0.56734%0.339SS*.THydrogen-bonded Turntrans8812.4179.800000114.7C545 Y546 S547 S551C545-G549 PolarHBondContact O-N 2.77Å; Y546-G549 PolarHBondContact O-N 2.77Å; S547-G549 VanDerWaalsContact C-N 3.27Å; G549-S551 VanDerWaalsContact C-N 3.28Å; G549-S551 PolarHBondContact O-N 3.22Å
550F78.2Confident82Confident137 Ų13763.1 Ų63.160%0.60135%0.354SS*.  trans-77.180.4172.8-62.6-74.6000110.3C545 F548 A552C545-F550 HydrophobicContact CB-CB 4.24Å; C545-F550 WeakPolarHBondContact O-CB 3.34Å; C545-F550 PolarHBondContact O-N 3.38Å; F548-F550 HydrophobicContact CB-CD2 3.74Å; F548-F550 HydrophobicContact CB-CE2 3.72Å; F550-A552 VanDerWaalsContact C-N 3.31Å; F550-A552 PolarHBondContact O-N 2.88Å
551S71.5Confident81.9Confident86 Ų8664.7 Ų64.760%0.60136%0.36SS*.THydrogen-bonded Turntrans-82.6-1.5-177.566.90000114.5G549 Q553G549-S551 VanDerWaalsContact C-N 3.28Å; G549-S551 PolarHBondContact O-N 3.22Å; S551-Q553 VanDerWaalsContact C-N 3.31Å; S551-Q553 PolarHBondContact O-N 3.49Å
552A70.8Confident81.6Confident103 Ų10363 Ų6385%0.85136%0.358SS*.THydrogen-bonded Turntrans-67-30.9-174.700000113.2F550F550-A552 VanDerWaalsContact C-N 3.31Å; F550-A552 PolarHBondContact O-N 2.88Å
553Q69.8Low81.6Confident133 Ų13364 Ų6462%0.62137%0.371SS*.SBendtrans-105.2-24.8-173.7-62.5-178.5-1.900113.9N532 M542 S551N532-Q553 PolarHBondContact ND2-O 3.41Å; M542-Q553 HydrophobicContact CE-CB 3.65Å; S551-Q553 VanDerWaalsContact C-N 3.31Å; S551-Q553 PolarHBondContact O-N 3.49Å
554V75.7Confident81.6Confident2 Ų272.1 Ų72.11%0.01241%0.406CS..  trans-109.5110.4-178.3-174.80000109.4F533 M542 Y546F533-V554 HydrophobicContact CE2-CG1 4.42Å; F533-V554 HydrophobicContact CZ-CG1 4.02Å; M542-V554 HydrophobicContact CB-CG2 3.91Å; M542-V554 HydrophobicContact CE-CG2 3.28Å; M542-V554 HydrophobicContact CG-CG2 4.5Å; Y546-V554 HydrophobicContact CD2-CB 4.02Å; Y546-V554 HydrophobicContact CD2-CG1 4.08Å
555K81.2Confident82Confident142 Ų14278.3 Ų78.362%0.61742%0.424SS*.  trans-79.7130169.2-64.9177.8-176.3173.50108.5S557 E558K555-S557 WeakPolarHBondContact CB-OG 3.41Å; K555-S557 PolarHBondContact O-N 3.49Å; K555-E558 HydrophobicContact CB-CG 4.33Å; K555-E558 WeakPolarHBondContact O-CB 3.46Å; K555-E558 PolarHBondContact O-N 2.97Å
556P80.6Confident82.2Confident58 Ų5879.9 Ų79.938%0.37743%0.43SS..G310 helixtrans-53.3-33.8177.7-27.734.6000112.5E558 L559 F560 Y571P556-E558 PolarHBondContact O-N 3.34Å; P556-L559 PolarHBondContact O-N 2.84Å; P556-F560 HydrophobicContact CB-CE2 4.43Å; P556-F560 WeakPolarHBondContact O-CD2 3.37Å; P556-F560 WeakPolarHBondContact O-CE2 3.43Å; P556-Y571 HydrophobicContact CB-CE2 4.38Å
557S84.6Confident82.5Confident73 Ų7378.4 Ų78.451%0.5142%0.424SS..G310 helixtrans-51.8-25.5175.656.40000114K555 L559 F560K555-S557 WeakPolarHBondContact CB-OG 3.41Å; K555-S557 PolarHBondContact O-N 3.49Å; S557-L559 VanDerWaalsContact C-N 3.27Å; S557-L559 PolarHBondContact O-N 3Å; S557-F560 PolarHBondContact O-N 3Å
558E85.1Confident82.9Confident27 Ų2782.1 Ų82.113%0.12644%0.442CS..G310 helixtrans-68.5-24.5-179.9-67.2-175.3-150.900114.1S530 N532 F533 K555 P556 F560 H561S530-E558 PolarHBondContact OG-OE2 2.89Å; N532-E558 WeakPolarHBondContact CB-OE2 3.31Å; N532-E558 VanDerWaalsContact ND2-CD 3.32Å; N532-E558 PolarHBondContact ND2-OE1 3.05Å; N532-E558 PolarHBondContact ND2-OE2 3.16Å; F533-E558 HydrophobicContact CD2-CB 4.25Å; F533-E558 HydrophobicContact CE2-CB 3.83Å; K555-E558 HydrophobicContact CB-CG 4.33Å; K555-E558 WeakPolarHBondContact O-CB 3.46Å; K555-E558 PolarHBondContact O-N 2.97Å; P556-E558 PolarHBondContact O-N 3.34Å; E558-F560 VanDerWaalsContact C-N 3.26Å; E558-F560 PolarHBondContact O-N 3.01Å; E558-H561 WeakPolarHBondContact CA-ND1 3.37Å; E558-H561 PolarHBondContact O-ND1 2.83Å
559L85.9Confident83.5Confident1 Ų181.2 Ų81.21%0.00544%0.442CS..G310 helixtrans-77-12.2176.3-71.2159.4000113.1V522 N526 F533 P556 S557 G567 C570 Y571 L574V522-L559 HydrophobicContact CG1-CD2 3.87Å; V522-L559 HydrophobicContact CG2-CD2 4.17Å; N526-L559 PolarHBondContact ND2-O 2.93Å; N526-L559 PolarHBondContact OD1-O 3.41Å; F533-L559 HydrophobicContact CE2-CD2 4.35Å; F533-L559 HydrophobicContact CE2-CG 4.4Å; F533-L559 HydrophobicContact CZ-CD2 4.16Å; F533-L559 HydrophobicContact CZ-CG 4.42Å; P556-L559 PolarHBondContact O-N 2.84Å; S557-L559 VanDerWaalsContact C-N 3.27Å; S557-L559 PolarHBondContact O-N 3Å; L559-G567 WeakPolarHBondContact O-CA 3.44Å; L559-C570 HydrophobicContact CD2-CB 4.36Å; L559-Y571 HydrophobicContact CD1-CD2 4.27Å; L559-L574 HydrophobicContact CD1-CD2 4.12Å
560F90Very high84Confident69 Ų6979 Ų7930%0.30342%0.418SS..G310 helixtrans-98.11.8-171.9-62.8-97.6000113.9P556 S557 E558 G562 G563 I568P556-F560 HydrophobicContact CB-CE2 4.43Å; P556-F560 WeakPolarHBondContact O-CD2 3.37Å; P556-F560 WeakPolarHBondContact O-CE2 3.43Å; S557-F560 PolarHBondContact O-N 3Å; E558-F560 VanDerWaalsContact C-N 3.26Å; E558-F560 PolarHBondContact O-N 3.01Å; F560-G562 VanDerWaalsContact C-N 3.35Å; F560-G562 PolarHBondContact O-N 2.92Å; F560-G563 CarbonylContact O-C 3.59Å; F560-G563 PolarHBondContact O-N 3.03Å; F560-G563 VanDerWaalsContact O-N 3.15Å; F560-I568 HydrophobicContact CE1-CG1 3.74Å
561H87Confident84.5Confident89 Ų8976.7 Ų76.741%0.41241%0.406SS..THydrogen-bonded Turntrans-65.3-36.7-178-70.299000112.7N526 Y529 E558 G563N526-H561 WeakPolarHBondContact OD1-CB 3.45Å; N526-H561 PolarHBondContact OD1-N 2.92Å; N526-H561 VanDerWaalsContact OD1-N 3.15Å; Y529-H561 HydrophobicContact CD2-CB 3.92Å; Y529-H561 HydrophobicContact CG-CB 4.1Å; E558-H561 WeakPolarHBondContact CA-ND1 3.37Å; E558-H561 PolarHBondContact O-ND1 2.83Å; H561-G563 PolarHBondContact O-N 3.15Å
562G81.7Confident85.4Confident38 Ų3874.1 Ų74.139%0.39239%0.393SS..THydrogen-bonded Turntrans-76.64.1175.600000115.2N526 F560N526-G562 PolarHBondContact OD1-N 2.65Å; F560-G562 VanDerWaalsContact C-N 3.35Å; F560-G562 PolarHBondContact O-N 2.92Å
563G89.2Confident86.3Confident31 Ų3171.2 Ų71.232%0.3237%0.365SS..  trans127.5148177.100000112.8F560 H561 W565 L566 G567F560-G563 CarbonylContact O-C 3.59Å; F560-G563 PolarHBondContact O-N 3.03Å; F560-G563 VanDerWaalsContact O-N 3.15Å; H561-G563 PolarHBondContact O-N 3.15Å; G563-W565 PolarHBondContact O-N 2.87Å; G563-L566 PolarHBondContact O-N 2.95Å; G563-G567 PolarHBondContact O-N 2.73Å
564K89.1Confident87Confident171 Ų17165 Ų6574%0.74334%0.336SS*.Hα-helixtrans-58.8-51.8-174.4-65.9-177.5-178.7178.20112.5L566 G567 I568K564-L566 PolarHBondContact O-N 3.3Å; K564-G567 PolarHBondContact O-N 3.06Å; K564-I568 VanDerWaalsContact O-CG1 3.23Å; K564-I568 WeakPolarHBondContact O-CG1 3.22Å; K564-I568 PolarHBondContact O-N 3.28Å
565W91.8Very high87.4Confident223 Ų22366.2 Ų66.285%0.84535%0.346SS*.Hα-helixtrans-63.8-42.4-177.8-71.2109.8000113G563 I568 L569G563-W565 PolarHBondContact O-N 2.87Å; W565-I568 PolarHBondContact O-N 3.01Å; W565-L569 WeakPolarHBondContact O-CB 3.49Å; W565-L569 PolarHBondContact O-N 2.94Å
566L90.3Very high87.6Confident67 Ų6766 Ų6635%0.35135%0.345SS..Hα-helixtrans-68.2-40.2179.2-158.573.8000111.1I525 G563 K564 L569 C570I525-L566 HydrophobicContact CB-CD2 4.18Å; I525-L566 HydrophobicContact CD1-CD1 4.37Å; I525-L566 HydrophobicContact CD1-CD2 3.47Å; I525-L566 VanDerWaalsContact CD1-CD2 3.47Å; I525-L566 HydrophobicContact CD1-CG 3.84Å; I525-L566 HydrophobicContact CG1-CD2 3.63Å; I525-L566 HydrophobicContact CG2-CD2 3.43Å; I525-L566 VanDerWaalsContact CG2-CD2 3.43Å; I525-L566 HydrophobicContact CG2-CG 4.32Å; G563-L566 PolarHBondContact O-N 2.95Å; K564-L566 PolarHBondContact O-N 3.3Å; L566-L569 WeakPolarHBondContact O-CB 3.21Å; L566-L569 PolarHBondContact O-N 2.86Å; L566-C570 WeakPolarHBondContact O-CB 3.13Å; L566-C570 PolarHBondContact O-N 2.73Å; L566-C570 PolarHBondContact O-SG 3.33Å; L566-C570 VanDerWaalsContact O-SG 3.39Å
567G89.9Confident87.7Confident0 Ų064.7 Ų64.70%034%0.336CS..Hα-helixtrans-62.3-43.2172.700000112.9L559 G563 K564 L569 C570 Y571L559-G567 WeakPolarHBondContact O-CA 3.44Å; G563-G567 PolarHBondContact O-N 2.73Å; K564-G567 PolarHBondContact O-N 3.06Å; G567-L569 VanDerWaalsContact C-N 3.31Å; G567-L569 PolarHBondContact O-N 2.77Å; G567-C570 PolarHBondContact O-N 2.69Å; G567-Y571 WeakPolarHBondContact O-CB 2.94Å; G567-Y571 PolarHBondContact O-N 2.66Å
568I90.8Very high87.4Confident90 Ų9061.8 Ų61.846%0.46232%0.315SS..Hα-helixtrans-59.2-43.8172.7-66165.9000110.4F560 K564 W565 G572F560-I568 HydrophobicContact CE1-CG1 3.74Å; K564-I568 VanDerWaalsContact O-CG1 3.23Å; K564-I568 WeakPolarHBondContact O-CG1 3.22Å; K564-I568 PolarHBondContact O-N 3.28Å; W565-I568 PolarHBondContact O-N 3.01Å; I568-G572 PolarHBondContact O-N 2.84Å
569L91.7Very high87.2Confident110 Ų11063 Ų6358%0.57632%0.322SS*.Hα-helixtrans-63.6-51.5178.3-179.268.6000111.5W565 L566 G567 Y571 G572 V573W565-L569 WeakPolarHBondContact O-CB 3.49Å; W565-L569 PolarHBondContact O-N 2.94Å; L566-L569 WeakPolarHBondContact O-CB 3.21Å; L566-L569 PolarHBondContact O-N 2.86Å; G567-L569 VanDerWaalsContact C-N 3.31Å; G567-L569 PolarHBondContact O-N 2.77Å; L569-Y571 VanDerWaalsContact C-N 3.3Å; L569-Y571 PolarHBondContact O-N 3.29Å; L569-G572 PolarHBondContact O-N 3.36Å; L569-V573 HydrophobicContact CD1-CG2 4.4Å; L569-V573 WeakPolarHBondContact O-CG2 3.22Å; L569-V573 PolarHBondContact O-N 3.47Å
570C90.1Very high87.2Confident8 Ų866.2 Ų66.25%0.05434%0.341CS..Hα-helixtrans-58.8-43.8177.6-72.30000111.3F518 L559 L566 G567 V573 L574F518-C570 HydrophobicContact CE2-CB 4.42Å; F518-C570 HydrophobicContact CZ-CB 4.35Å; F518-C570 WeakPolarHBondContact CZ-O 3.32Å; L559-C570 HydrophobicContact CD2-CB 4.36Å; L566-C570 WeakPolarHBondContact O-CB 3.13Å; L566-C570 PolarHBondContact O-N 2.73Å; L566-C570 PolarHBondContact O-SG 3.33Å; L566-C570 VanDerWaalsContact O-SG 3.39Å; G567-C570 PolarHBondContact O-N 2.69Å; C570-V573 PolarHBondContact O-N 3.43Å; C570-L574 VanDerWaalsContact O-CB 3.24Å; C570-L574 WeakPolarHBondContact O-CB 3.45Å; C570-L574 PolarHBondContact O-N 2.95Å
571Y88.8Confident86.9Confident89 Ų8966.6 Ų66.635%0.34935%0.346SS..Hα-helixtrans-61.8-46.1175.4178.8-97.1000111.9Y546 P556 L559 G567 L569 L574 A575Y546-Y571 HydrophobicContact CE1-CE2 4.32Å; Y546-Y571 WeakPolarHBondContact OH-CE2 3.28Å; P556-Y571 HydrophobicContact CB-CE2 4.38Å; L559-Y571 HydrophobicContact CD1-CD2 4.27Å; G567-Y571 WeakPolarHBondContact O-CB 2.94Å; G567-Y571 PolarHBondContact O-N 2.66Å; L569-Y571 VanDerWaalsContact C-N 3.3Å; L569-Y571 PolarHBondContact O-N 3.29Å; Y571-L574 PolarHBondContact O-N 2.73Å; Y571-A575 VanDerWaalsContact O-CB 3.3Å; Y571-A575 WeakPolarHBondContact O-CB 3.34Å; Y571-A575 PolarHBondContact O-N 2.84Å
572G88.7Confident86.6Confident32 Ų3263.5 Ų63.533%0.3333%0.333SS..Hα-helixtrans-62.5-43177.800000112.3I568 L569 F576I568-G572 PolarHBondContact O-N 2.84Å; L569-G572 PolarHBondContact O-N 3.36Å; G572-F576 WeakPolarHBondContact O-CB 3.47Å; G572-F576 PolarHBondContact O-N 3.34Å
573V89.4Confident86.7Confident43 Ų4365.1 Ų65.126%0.26133%0.331SS..Hα-helixtrans-64.9-44.5175.1172.30000110.9F514 F518 L569 C570 V577F514-V573 HydrophobicContact CZ-CG1 3.88Å; F518-V573 HydrophobicContact CD2-CB 4.49Å; F518-V573 HydrophobicContact CD2-CG1 3.76Å; F518-V573 HydrophobicContact CE2-CB 3.99Å; F518-V573 HydrophobicContact CE2-CG1 3.74Å; L569-V573 HydrophobicContact CD1-CG2 4.4Å; L569-V573 WeakPolarHBondContact O-CG2 3.22Å; L569-V573 PolarHBondContact O-N 3.47Å; C570-V573 PolarHBondContact O-N 3.43Å; V573-V577 HydrophobicContact CG1-CB 4.35Å; V573-V577 HydrophobicContact CG1-CG2 4.05Å; V573-V577 WeakPolarHBondContact O-CA 3.29Å; V573-V577 WeakPolarHBondContact O-CB 3.4Å; V573-V577 PolarHBondContact O-N 2.86Å
574L85.9Confident86.7Confident2 Ų268.2 Ų68.21%0.0134%0.341CS..Iπ-helixtrans-60.1-50.5177.5-176.468.3000111.2F518 C543 Y546 L559 C570 Y571 I578 I579F518-L574 HydrophobicContact CD1-CD1 4.48Å; F518-L574 HydrophobicContact CE1-CB 4.2Å; F518-L574 HydrophobicContact CE1-CD1 3.73Å; F518-L574 HydrophobicContact CE1-CG 4.45Å; F518-L574 HydrophobicContact CZ-CB 3.83Å; F518-L574 HydrophobicContact CZ-CD1 4.25Å; C543-L574 HydrophobicContact CB-CD1 4.08Å; Y546-L574 HydrophobicContact CD1-CD2 3.23Å; Y546-L574 HydrophobicContact CD1-CG 3.85Å; Y546-L574 HydrophobicContact CE1-CD2 3.72Å; Y546-L574 HydrophobicContact CE1-CG 4.33Å; Y546-L574 HydrophobicContact CG-CD2 3.98Å; L559-L574 HydrophobicContact CD1-CD2 4.12Å; C570-L574 VanDerWaalsContact O-CB 3.24Å; C570-L574 WeakPolarHBondContact O-CB 3.45Å; C570-L574 PolarHBondContact O-N 2.95Å; Y571-L574 PolarHBondContact O-N 2.73Å; L574-I578 HydrophobicContact CD1-CD1 3.71Å; L574-I578 HydrophobicContact CD1-CG1 4.35Å; L574-I578 WeakPolarHBondContact O-CB 3.3Å; L574-I578 PolarHBondContact O-N 2.65Å; L574-I579 PolarHBondContact O-N 2.87Å
575A84Confident86.6Confident28 Ų2863.1 Ų63.123%0.23132%0.324CS..Iπ-helixtrans-70.1-45.2-17800000112.5Y571 I579 V580Y571-A575 VanDerWaalsContact O-CB 3.3Å; Y571-A575 WeakPolarHBondContact O-CB 3.34Å; Y571-A575 PolarHBondContact O-N 2.84Å; A575-I579 VanDerWaalsContact O-CB 3.23Å; A575-I579 WeakPolarHBondContact O-CB 3.28Å; A575-V580 PolarHBondContact O-N 2.71Å
576F85.5Confident86.4Confident136 Ų13656.4 Ų56.460%0.59630%0.301SS*.Iπ-helixtrans-81.3-50-175.6-174.9-101.5000112.3G572 V580 L581G572-F576 WeakPolarHBondContact O-CB 3.47Å; G572-F576 PolarHBondContact O-N 3.34Å; F576-V580 VanDerWaalsContact O-CB 3.29Å; F576-V580 WeakPolarHBondContact O-CB 3.08Å; F576-V580 PolarHBondContact O-N 3.34Å; F576-L581 PolarHBondContact O-N 3.08Å
577V83.1Confident86.3Confident31 Ų3157.1 Ų57.119%0.18831%0.307CS..Iπ-helixtrans-75.2-55.1-175.1-173.50000110F514 V573 L581 L582F514-V577 HydrophobicContact CD1-CG1 4.36Å; F514-V577 HydrophobicContact CE1-CB 4.13Å; F514-V577 HydrophobicContact CE1-CG1 3.62Å; F514-V577 HydrophobicContact CE2-CG1 4.01Å; F514-V577 HydrophobicContact CZ-CB 3.88Å; F514-V577 HydrophobicContact CZ-CG1 3.41Å; F514-V577 VanDerWaalsContact CZ-CG1 3.41Å; F514-V577 HydrophobicContact CZ-CG2 4.36Å; V573-V577 HydrophobicContact CG1-CB 4.35Å; V573-V577 HydrophobicContact CG1-CG2 4.05Å; V573-V577 WeakPolarHBondContact O-CA 3.29Å; V573-V577 WeakPolarHBondContact O-CB 3.4Å; V573-V577 PolarHBondContact O-N 2.86Å; V577-L581 VanDerWaalsContact O-CB 3.29Å; V577-L581 WeakPolarHBondContact O-CB 3.39Å; V577-L581 PolarHBondContact O-N 3.47Å; V577-L582 WeakPolarHBondContact O-CG 3.49Å; V577-L582 PolarHBondContact O-N 2.94Å
578I78.2Confident86.4Confident12 Ų1260.4 Ų60.46%0.06233%0.331CS..Iπ-helixtrans-72.4-47.1-172.8-50.6-165.8000111.7F514 F518 S547 L574 L582F514-I578 HydrophobicContact CD1-CG1 4.37Å; F514-I578 HydrophobicContact CE1-CD1 4.17Å; F514-I578 HydrophobicContact CE1-CG1 3.8Å; F518-I578 HydrophobicContact CD1-CD1 4.25Å; S547-I578 WeakPolarHBondContact OG-CG2 3.29Å; L574-I578 HydrophobicContact CD1-CD1 3.71Å; L574-I578 HydrophobicContact CD1-CG1 4.35Å; L574-I578 WeakPolarHBondContact O-CB 3.3Å; L574-I578 PolarHBondContact O-N 2.65Å; I578-L582 HydrophobicContact CB-CD1 4.3Å; I578-L582 HydrophobicContact CG1-CD1 4.32Å; I578-L582 HydrophobicContact CG2-CD1 4.12Å; I578-L582 WeakPolarHBondContact O-CB 3.4Å
579I81.1Confident86.5Confident54 Ų5457.5 Ų57.528%0.27732%0.316SS..Iπ-helixtrans-77.3-54.6-176.6-47.2-179.6000110.9L574 A575 I583L574-I579 PolarHBondContact O-N 2.87Å; A575-I579 VanDerWaalsContact O-CB 3.23Å; A575-I579 WeakPolarHBondContact O-CB 3.28Å; I579-I583 HydrophobicContact CG2-CD1 4.14Å; I579-I583 WeakPolarHBondContact O-CB 3.17Å; I579-I583 VanDerWaalsContact O-CD1 3.25Å; I579-I583 WeakPolarHBondContact O-CD1 3.1Å; I579-I583 WeakPolarHBondContact O-CG1 3.39Å
580V84.6Confident86.5Confident67 Ų6755 Ų5541%0.40630%0.303SS..Iπ-helixtrans-79.9-56-172.5-177.80000111.2A575 F576 N584A575-V580 PolarHBondContact O-N 2.71Å; F576-V580 VanDerWaalsContact O-CB 3.29Å; F576-V580 WeakPolarHBondContact O-CB 3.08Å; F576-V580 PolarHBondContact O-N 3.34Å; V580-N584 WeakPolarHBondContact CG1-ND2 3.24Å; V580-N584 WeakPolarHBondContact O-CB 3.21Å; V580-N584 PolarHBondContact O-N 2.98Å; V580-N584 VanDerWaalsContact O-N 3.16Å; V580-N584 PolarHBondContact O-ND2 3.38Å
581L84.6Confident86.6Confident77 Ų7759 Ų5940%0.40332%0.324SS..Iπ-helixtrans-69.1-53.4-171.9-169.3160.3000111.5F576 V577 I583 N584 V585F576-L581 PolarHBondContact O-N 3.08Å; V577-L581 VanDerWaalsContact O-CB 3.29Å; V577-L581 WeakPolarHBondContact O-CB 3.39Å; V577-L581 PolarHBondContact O-N 3.47Å; L581-I583 PolarHBondContact O-N 2.83Å; L581-N584 PolarHBondContact O-N 2.85Å; L581-V585 HydrophobicContact CD2-CG2 3.78Å; L581-V585 HydrophobicContact CG-CG2 4.5Å; L581-V585 VanDerWaalsContact O-CG2 3.31Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.24Å
582L81.1Confident86.9Confident25 Ų2559.2 Ų59.213%0.13133%0.331CS..Iπ-helixtrans-67.5-39-172.7-58.1178.9000112.5I511 F514 V577 I578 V585 F586I511-L582 HydrophobicContact CB-CD1 4.41Å; I511-L582 HydrophobicContact CD1-CB 4.45Å; I511-L582 HydrophobicContact CG1-CB 4.3Å; I511-L582 HydrophobicContact CG1-CD1 4.06Å; I511-L582 HydrophobicContact CG1-CD2 3.91Å; I511-L582 HydrophobicContact CG1-CG 4.29Å; I511-L582 HydrophobicContact CG2-CD1 3.96Å; F514-L582 HydrophobicContact CD1-CD1 4.25Å; V577-L582 WeakPolarHBondContact O-CG 3.49Å; V577-L582 PolarHBondContact O-N 2.94Å; I578-L582 HydrophobicContact CB-CD1 4.3Å; I578-L582 HydrophobicContact CG1-CD1 4.32Å; I578-L582 HydrophobicContact CG2-CD1 4.12Å; I578-L582 WeakPolarHBondContact O-CB 3.4Å; L582-V585 PolarHBondContact O-N 2.85Å; L582-F586 WeakPolarHBondContact O-CB 3.47Å; L582-F586 PolarHBondContact O-N 2.7Å
583I83Confident87.2Confident71 Ų7160.7 Ų60.736%0.36433%0.327SS..Hα-helixtrans-64.6-44.5175-60.4-179.7000110.2I579 L581 V585 F586 V587I579-I583 HydrophobicContact CG2-CD1 4.14Å; I579-I583 WeakPolarHBondContact O-CB 3.17Å; I579-I583 VanDerWaalsContact O-CD1 3.25Å; I579-I583 WeakPolarHBondContact O-CD1 3.1Å; I579-I583 WeakPolarHBondContact O-CG1 3.39Å; L581-I583 PolarHBondContact O-N 2.83Å; I583-V585 PolarHBondContact O-N 3.41Å; I583-F586 PolarHBondContact O-N 2.81Å; I583-V587 HydrophobicContact CG2-CG2 4.07Å; I583-V587 WeakPolarHBondContact O-CB 3.48Å; I583-V587 VanDerWaalsContact O-CG2 3.23Å; I583-V587 WeakPolarHBondContact O-CG2 3.49Å; I583-V587 PolarHBondContact O-N 2.77Å
584N88.4Confident87.4Confident97 Ų9761.6 Ų61.652%0.51933%0.327SS..Hα-helixtrans-65.6-37.7179.8-74.5-26.7000112.6V580 L581 S588V580-N584 WeakPolarHBondContact CG1-ND2 3.24Å; V580-N584 WeakPolarHBondContact O-CB 3.21Å; V580-N584 PolarHBondContact O-N 2.98Å; V580-N584 VanDerWaalsContact O-N 3.16Å; V580-N584 PolarHBondContact O-ND2 3.38Å; L581-N584 PolarHBondContact O-N 2.85Å; N584-S588 VanDerWaalsContact O-CB 3.23Å; N584-S588 WeakPolarHBondContact O-CB 3.27Å; N584-S588 PolarHBondContact O-N 3.26Å; N584-S588 PolarHBondContact O-OG 2.99Å; N584-S588 VanDerWaalsContact O-OG 3.08Å
585V88.6Confident87.7Confident63 Ų6364.3 Ų64.338%0.38234%0.344SS..Hα-helixtrans-64.9-44174.2170.10000110.8L581 L582 I583 S588 L589L581-V585 HydrophobicContact CD2-CG2 3.78Å; L581-V585 HydrophobicContact CG-CG2 4.5Å; L581-V585 VanDerWaalsContact O-CG2 3.31Å; L581-V585 WeakPolarHBondContact O-CG2 3.26Å; L581-V585 PolarHBondContact O-N 3.24Å; L582-V585 PolarHBondContact O-N 2.85Å; I583-V585 PolarHBondContact O-N 3.41Å; V585-S588 PolarHBondContact O-OG 3.29Å; V585-L589 VanDerWaalsContact O-CB 3.26Å; V585-L589 WeakPolarHBondContact O-CB 3.28Å; V585-L589 PolarHBondContact O-N 3.34Å
586F86.2Confident88.2Confident82 Ų8265.7 Ų65.736%0.3635%0.349SS..Hα-helixtrans-64-44.9177.8-175.7-103.9000112V504 L582 I583 I590V504-F586 HydrophobicContact CG1-CE2 3.98Å; L582-F586 WeakPolarHBondContact O-CB 3.47Å; L582-F586 PolarHBondContact O-N 2.7Å; I583-F586 PolarHBondContact O-N 2.81Å; F586-I590 HydrophobicContact CD1-CD1 3.78Å; F586-I590 HydrophobicContact CD2-CD1 4.4Å; F586-I590 HydrophobicContact CE1-CD1 3.26Å; F586-I590 HydrophobicContact CE2-CD1 3.96Å; F586-I590 HydrophobicContact CG-CD1 4.33Å; F586-I590 HydrophobicContact CZ-CD1 3.38Å; F586-I590 WeakPolarHBondContact O-CG1 3.42Å; F586-I590 PolarHBondContact O-N 2.98Å
587V89.2Confident88.5Confident82 Ų8259.2 Ų59.250%0.49732%0.321SS..Hα-helixtrans-66.9-42.8178.9171.30000111.5I583 I590 N591I583-V587 HydrophobicContact CG2-CG2 4.07Å; I583-V587 WeakPolarHBondContact O-CB 3.48Å; I583-V587 VanDerWaalsContact O-CG2 3.23Å; I583-V587 WeakPolarHBondContact O-CG2 3.49Å; I583-V587 PolarHBondContact O-N 2.77Å; V587-I590 PolarHBondContact O-N 3.05Å; V587-N591 VanDerWaalsContact O-CB 3.24Å; V587-N591 WeakPolarHBondContact O-CB 3.39Å; V587-N591 PolarHBondContact O-N 2.86Å
588S91.9Very high88.9Confident70 Ų7062.2 Ų62.249%0.4933%0.331SS..Hα-helixtrans-64.9-42.5179.767.90000111.6N584 V585 N591 D592N584-S588 VanDerWaalsContact O-CB 3.23Å; N584-S588 WeakPolarHBondContact O-CB 3.27Å; N584-S588 PolarHBondContact O-N 3.26Å; N584-S588 PolarHBondContact O-OG 2.99Å; N584-S588 VanDerWaalsContact O-OG 3.08Å; V585-S588 PolarHBondContact O-OG 3.29Å; S588-N591 PolarHBondContact O-N 3.28Å; S588-D592 PolarHBondContact O-N 3.49Å
589L92.5Very high89.5Confident28 Ų2865.9 Ų65.915%0.14735%0.354CS..Hα-helixtrans-60.6-51.1175.2-174.1156.8000110.9A500 A503 V504 T507 V585 N591 D592 Y593A500-L589 HydrophobicContact CB-CD2 4.48Å; A503-L589 HydrophobicContact CB-CD1 3.98Å; A503-L589 HydrophobicContact CB-CD2 4.14Å; A503-L589 HydrophobicContact CB-CG 4.36Å; V504-L589 HydrophobicContact CG2-CD2 3.6Å; T507-L589 HydrophobicContact CG2-CD1 3.47Å; T507-L589 VanDerWaalsContact CG2-CD1 3.47Å; V585-L589 VanDerWaalsContact O-CB 3.26Å; V585-L589 WeakPolarHBondContact O-CB 3.28Å; V585-L589 PolarHBondContact O-N 3.34Å; L589-N591 VanDerWaalsContact C-N 3.27Å; L589-N591 PolarHBondContact O-N 3.24Å; L589-D592 PolarHBondContact O-N 2.83Å; L589-Y593 HydrophobicContact CD2-CD2 3.66Å; L589-Y593 HydrophobicContact CD2-CE2 3.73Å; L589-Y593 HydrophobicContact CG-CD2 4.17Å; L589-Y593 HydrophobicContact CG-CE2 3.99Å; L589-Y593 VanDerWaalsContact O-CD2 3.25Å; L589-Y593 WeakPolarHBondContact O-CD2 3.44Å; L589-Y593 PolarHBondContact O-N 3.22Å; L589-Y593 VanDerWaalsContact O-N 3.15Å
590I91.6Very high89.9Confident58 Ų5865.7 Ų65.730%0.29735%0.353SS..Hα-helixtrans-61.3-39.6178.1-72.1177.2000111.1V504 F586 V587 F594V504-I590 HydrophobicContact CG2-CG1 4.4Å; F586-I590 HydrophobicContact CD1-CD1 3.78Å; F586-I590 HydrophobicContact CD2-CD1 4.4Å; F586-I590 HydrophobicContact CE1-CD1 3.26Å; F586-I590 HydrophobicContact CE2-CD1 3.96Å; F586-I590 HydrophobicContact CG-CD1 4.33Å; F586-I590 HydrophobicContact CZ-CD1 3.38Å; F586-I590 WeakPolarHBondContact O-CG1 3.42Å; F586-I590 PolarHBondContact O-N 2.98Å; V587-I590 PolarHBondContact O-N 3.05Å; I590-F594 WeakPolarHBondContact O-CB 3.3Å; I590-F594 PolarHBondContact O-N 3.49Å
591N93.4Very high89.8Confident93 Ų9365.3 Ų65.350%0.49735%0.345SS..Hα-helixtrans-63.5-42.2178.3-175.255.5000111.5V587 S588 L589 F594 T595V587-N591 VanDerWaalsContact O-CB 3.24Å; V587-N591 WeakPolarHBondContact O-CB 3.39Å; V587-N591 PolarHBondContact O-N 2.86Å; S588-N591 PolarHBondContact O-N 3.28Å; L589-N591 VanDerWaalsContact C-N 3.27Å; L589-N591 PolarHBondContact O-N 3.24Å; N591-F594 WeakPolarHBondContact O-CB 3.27Å; N591-F594 PolarHBondContact O-N 3.02Å; N591-F594 VanDerWaalsContact O-N 3.17Å; N591-T595 WeakPolarHBondContact O-CG2 3.42Å; N591-T595 PolarHBondContact O-N 2.92Å
592D94.4Very high89.7Confident93 Ų9364 Ų6450%0.49734%0.339SS..Hα-helixtrans-59.9-53.7177.4-171.139.1000111.2S588 L589 F594 T595 V596S588-D592 PolarHBondContact O-N 3.49Å; L589-D592 PolarHBondContact O-N 2.83Å; D592-F594 PolarHBondContact O-N 2.86Å; D592-T595 PolarHBondContact O-N 3.44Å; D592-T595 PolarHBondContact O-OG1 3.02Å; D592-V596 PolarHBondContact O-N 3.46Å
593Y94.2Very high89.6Confident63 Ų6366.9 Ų66.925%0.24736%0.361CS..Hα-helixtrans-62.3-29.2175-74.4-74.4000113.3L499 A500 A503 L589 A597L499-Y593 HydrophobicContact CB-CD1 4.03Å; L499-Y593 WeakPolarHBondContact O-CE1 3.5Å; A500-Y593 HydrophobicContact CB-CD1 4.21Å; A500-Y593 HydrophobicContact CB-CD2 3.58Å; A500-Y593 HydrophobicContact CB-CE2 4.26Å; A500-Y593 HydrophobicContact CB-CG 3.57Å; A503-Y593 HydrophobicContact CB-CE2 3.55Å; A503-Y593 VanDerWaalsContact CB-OH 3.28Å; A503-Y593 WeakPolarHBondContact CB-OH 3.47Å; L589-Y593 HydrophobicContact CD2-CD2 3.66Å; L589-Y593 HydrophobicContact CD2-CE2 3.73Å; L589-Y593 HydrophobicContact CG-CD2 4.17Å; L589-Y593 HydrophobicContact CG-CE2 3.99Å; L589-Y593 VanDerWaalsContact O-CD2 3.25Å; L589-Y593 WeakPolarHBondContact O-CD2 3.44Å; L589-Y593 PolarHBondContact O-N 3.22Å; L589-Y593 VanDerWaalsContact O-N 3.15Å; Y593-A597 VanDerWaalsContact O-CB 3.32Å; Y593-A597 WeakPolarHBondContact O-CB 3.38Å; Y593-A597 PolarHBondContact O-N 3.24Å
594F94Very high89.1Confident61 Ų6166.7 Ų66.727%0.26836%0.358SS..Hα-helixtrans-68.3-39.6173.3-178.5-92.4000112.4L492 F493 T496 I590 N591 D592 K598L492-F594 HydrophobicContact CD2-CD2 4.35Å; L492-F594 HydrophobicContact CD2-CE2 3.46Å; L492-F594 VanDerWaalsContact CD2-CE2 3.46Å; L492-F594 HydrophobicContact CD2-CZ 3.64Å; L492-F594 HydrophobicContact CG-CD2 4.49Å; L492-F594 HydrophobicContact CG-CE2 3.97Å; F493-F594 HydrophobicContact CD1-CD2 4.46Å; F493-F594 HydrophobicContact CD1-CE2 4.13Å; F493-F594 HydrophobicContact CE1-CD2 4.37Å; F493-F594 AromaticContact CE1-CE2 3.78Å; F493-F594 HydrophobicContact CE1-CE2 3.78Å; T496-F594 HydrophobicContact CG2-CB 4.36Å; T496-F594 HydrophobicContact CG2-CD2 3.65Å; T496-F594 HydrophobicContact CG2-CE2 4.42Å; T496-F594 HydrophobicContact CG2-CG 4.38Å; I590-F594 WeakPolarHBondContact O-CB 3.3Å; I590-F594 PolarHBondContact O-N 3.49Å; N591-F594 WeakPolarHBondContact O-CB 3.27Å; N591-F594 PolarHBondContact O-N 3.02Å; N591-F594 VanDerWaalsContact O-N 3.17Å; D592-F594 PolarHBondContact O-N 2.86Å; F594-K598 HydrophobicContact CE1-CD 4.43Å; F594-K598 WeakPolarHBondContact O-CB 3.35Å; F594-K598 PolarHBondContact O-N 3.36Å
595T93.5Very high87.8Confident59 Ų5969.3 Ų69.336%0.36236%0.361SS..Hα-helixtrans-64.4-44.4174.167.80000111.1N591 D592 K598 T599N591-T595 WeakPolarHBondContact O-CG2 3.42Å; N591-T595 PolarHBondContact O-N 2.92Å; D592-T595 PolarHBondContact O-N 3.44Å; D592-T595 PolarHBondContact O-OG1 3.02Å; T595-K598 WeakPolarHBondContact O-CB 3.44Å; T595-K598 PolarHBondContact O-N 3.31Å; T595-K598 VanDerWaalsContact O-N 3.15Å; T595-T599 WeakPolarHBondContact O-CG2 3.32Å; T595-T599 PolarHBondContact O-N 3.14Å
596V94Very high86.3Confident57 Ų5770.6 Ų70.635%0.34536%0.363SS..Hα-helixtrans-59.9-48.6175.5176.60000111.4D592 K598 T599 I600D592-V596 PolarHBondContact O-N 3.46Å; V596-K598 PolarHBondContact O-N 3.48Å; V596-T599 PolarHBondContact O-N 3.23Å; V596-T599 PolarHBondContact O-OG1 2.74Å; V596-I600 HydrophobicContact CG1-CD1 4.06Å; V596-I600 VanDerWaalsContact O-CG1 3.29Å; V596-I600 WeakPolarHBondContact O-CG1 3.48Å; V596-I600 PolarHBondContact O-N 3.31Å; V596-I600 VanDerWaalsContact O-N 3.12Å
597A92.2Very high85.1Confident0 Ų069.9 Ų69.90%036%0.363CS..Hα-helixtrans-63.8-32.417800000112.3L492 R495 T496 L499 Y593 R601L492-A597 VanDerWaalsContact CD1-C 3.49Å; L492-A597 HydrophobicContact CD1-CB 3.73Å; L492-A597 WeakPolarHBondContact CD1-O 3.23Å; R495-A597 HydrophobicContact CG-CB 4.37Å; T496-A597 HydrophobicContact CG2-CB 3.4Å; L499-A597 HydrophobicContact CD1-CB 4.21Å; Y593-A597 VanDerWaalsContact O-CB 3.32Å; Y593-A597 WeakPolarHBondContact O-CB 3.38Å; Y593-A597 PolarHBondContact O-N 3.24Å; A597-R601 WeakPolarHBondContact O-CB 3.43Å; A597-R601 PolarHBondContact O-N 3.11Å
598K91.3Very high84.2Confident94 Ų9471 Ų7141%0.40936%0.358SS..Hα-helixtrans-70.6-41.6176.2-176.6-176.9175.4-172.60111.8L492 F594 T595 V596 I600 R601 D602L492-K598 HydrophobicContact CD1-CB 4.44Å; F594-K598 HydrophobicContact CE1-CD 4.43Å; F594-K598 WeakPolarHBondContact O-CB 3.35Å; F594-K598 PolarHBondContact O-N 3.36Å; T595-K598 WeakPolarHBondContact O-CB 3.44Å; T595-K598 PolarHBondContact O-N 3.31Å; T595-K598 VanDerWaalsContact O-N 3.15Å; V596-K598 PolarHBondContact O-N 3.48Å; K598-I600 VanDerWaalsContact C-N 3.35Å; K598-R601 PolarHBondContact O-N 2.73Å; K598-D602 WeakPolarHBondContact O-CB 3.42Å; K598-D602 VanDerWaalsContact O-CG 3.3Å; K598-D602 PolarHBondContact O-N 3.45Å
599T90.2Very high83.4Confident89 Ų8967.9 Ų67.955%0.54634%0.336SS..Hα-helixtrans-62.6-43.3176.759.50000110.9T595 V596 R601 D602 S603T595-T599 WeakPolarHBondContact O-CG2 3.32Å; T595-T599 PolarHBondContact O-N 3.14Å; V596-T599 PolarHBondContact O-N 3.23Å; V596-T599 PolarHBondContact O-OG1 2.74Å; T599-R601 PolarHBondContact O-N 3.04Å; T599-D602 PolarHBondContact O-N 3.25Å; T599-S603 PolarHBondContact O-N 2.93Å
600I88.2Confident82.8Confident50 Ų5070.1 Ų70.126%0.25635%0.35SS..Hα-helixtrans-68.7-35.9177.6-47.7158.5000111.8L499 V596 K598 D602 S603 E604L499-I600 HydrophobicContact CD1-CD1 4.22Å; V596-I600 HydrophobicContact CG1-CD1 4.06Å; V596-I600 VanDerWaalsContact O-CG1 3.29Å; V596-I600 WeakPolarHBondContact O-CG1 3.48Å; V596-I600 PolarHBondContact O-N 3.31Å; V596-I600 VanDerWaalsContact O-N 3.12Å; K598-I600 VanDerWaalsContact C-N 3.35Å; I600-D602 VanDerWaalsContact C-N 3.32Å; I600-D602 PolarHBondContact O-N 3.06Å; I600-S603 WeakPolarHBondContact CA-OG 3.47Å; I600-S603 PolarHBondContact O-OG 3.37Å; I600-E604 WeakPolarHBondContact O-CG 3.27Å; I600-E604 PolarHBondContact O-N 2.99Å; I600-E604 VanDerWaalsContact O-N 3.15Å
601R83.1Confident82.2Confident59 Ų5967.8 Ų67.822%0.22334%0.338CS..Hα-helixtrans-62.9-42.8173.2-175.4-160.968.9-177.4-3.1111.2L492 A597 K598 T599 S603 E604 R605L492-R601 HydrophobicContact CD1-CB 4.34Å; A597-R601 WeakPolarHBondContact O-CB 3.43Å; A597-R601 PolarHBondContact O-N 3.11Å; K598-R601 PolarHBondContact O-N 2.73Å; T599-R601 PolarHBondContact O-N 3.04Å; R601-S603 VanDerWaalsContact C-N 3.34Å; R601-E604 PolarHBondContact O-N 3.32Å; R601-R605 WeakPolarHBondContact O-CB 3.49Å; R601-R605 PolarHBondContact O-N 2.91Å
602D82.8Confident81.6Confident51 Ų5170 Ų7027%0.27334%0.344SS..Hα-helixtrans-71.7-29.4-176.5-72.5-4.6000111.4K598 T599 I600K598-D602 WeakPolarHBondContact O-CB 3.42Å; K598-D602 VanDerWaalsContact O-CG 3.3Å; K598-D602 PolarHBondContact O-N 3.45Å; T599-D602 PolarHBondContact O-N 3.25Å; I600-D602 VanDerWaalsContact C-N 3.32Å; I600-D602 PolarHBondContact O-N 3.06Å
603S79.2Confident80.9Confident85 Ų8570 Ų7059%0.59434%0.341SS*.Hα-helixtrans-71.5-34170.465.30000113.4T599 I600 R601 R605T599-S603 PolarHBondContact O-N 2.93Å; I600-S603 WeakPolarHBondContact CA-OG 3.47Å; I600-S603 PolarHBondContact O-OG 3.37Å; R601-S603 VanDerWaalsContact C-N 3.34Å; S603-R605 VanDerWaalsContact C-N 3.3Å; S603-R605 PolarHBondContact O-N 3.12Å
604E72.5Confident80.4Confident67 Ų6767.2 Ų67.231%0.31333%0.33SS..SBendtrans-78.1-10.3175.8-71.9172-161.500114R495 I600 R601 E606 R608R495-E604 IonicContact CZ-OE1 3.27Å; R495-E604 IonicContact NH1-OE1 3.21Å; R495-E604 PolarHBondContact NH1-OE1 3.4Å; R495-E604 IonicContact NH1-OE2 3.5Å; R495-E604 IonicContact NH2-OE1 2.95Å; R495-E604 PolarHBondContact NH2-OE1 2.85Å; I600-E604 WeakPolarHBondContact O-CG 3.27Å; I600-E604 PolarHBondContact O-N 2.99Å; I600-E604 VanDerWaalsContact O-N 3.15Å; R601-E604 PolarHBondContact O-N 3.32Å; E604-E606 VanDerWaalsContact C-N 3.33Å; E604-E606 PolarHBondContact O-N 3.39Å; E604-R608 IonicContact OE2-CZ 3.96Å; E604-R608 IonicContact OE2-NH1 3Å; E604-R608 PolarHBondContact OE2-NH1 3.41Å; E604-R608 IonicContact OE2-NH2 3.48Å; E604-R608 PolarHBondContact OE2-NH2 3.09Å
605R60.4Low79.9Confident151 Ų15166.5 Ų66.557%0.5733%0.329SS*.G310 helixtrans-73.9-18.1-162.7-169.6170178.3-176.8-1.6114.4R601 S603 N607R601-R605 WeakPolarHBondContact O-CB 3.49Å; R601-R605 PolarHBondContact O-N 2.91Å; S603-R605 VanDerWaalsContact C-N 3.3Å; S603-R605 PolarHBondContact O-N 3.12Å; R605-N607 PolarHBondContact O-N 2.98Å
606E57.5Low79.3Confident91 Ų9167.3 Ų67.343%0.42533%0.334SS..G310 helixtrans-61-27.5-164.8-64.2-170.5149.300113.2E604E604-E606 VanDerWaalsContact C-N 3.33Å; E604-E606 PolarHBondContact O-N 3.39Å
607N61.2Low78.7Confident67 Ų6765.6 Ų65.636%0.35832%0.323SS..G310 helixtrans-130.437.6-168.9-67.6-33.5000117.2R605 L682R605-N607 PolarHBondContact O-N 2.98Å; N607-L682 WeakPolarHBondContact OD1-CD1 3.33Å
608R69.6Low78.2Confident104 Ų10469.7 Ų69.739%0.39234%0.342SS..  trans-109.2133.8-178.1-64.1-174.9171.9163.9-2.3114.2L118 E604L118-R608 HydrophobicContact CD2-CB 4.12Å; L118-R608 HydrophobicContact CD2-CG 4.07Å; E604-R608 IonicContact OE2-CZ 3.96Å; E604-R608 IonicContact OE2-NH1 3Å; E604-R608 PolarHBondContact OE2-NH1 3.41Å; E604-R608 IonicContact OE2-NH2 3.48Å; E604-R608 PolarHBondContact OE2-NH2 3.09Å
609I75.9Confident77.7Confident5 Ų568.2 Ų68.23%0.02634%0.336CS..  trans-75.8143.2166.9-165.7168.4000110.6R112 Y113 L118 Y122 E613 F614R112-I609 HydrophobicContact CB-CB 4.24Å; Y113-I609 HydrophobicContact CD2-CD1 4.01Å; L118-I609 HydrophobicContact CD2-CG2 4.32Å; Y122-I609 HydrophobicContact CD2-CG2 4.48Å; Y122-I609 HydrophobicContact CE2-CG2 4.01Å; Y122-I609 PolarHBondContact OH-O 2.78Å; I609-E613 HydrophobicContact CD1-CB 3.87Å; I609-E613 HydrophobicContact CG1-CB 3.52Å; I609-F614 HydrophobicContact CG2-CB 4.33Å
610T79Confident77.1Confident75 Ų7565.6 Ų65.646%0.4632%0.321SS..  trans-71.7144.5175.1-49.80000109.8F612 E613 F614T610-F612 HydrophobicContact CG2-CD2 4.46Å; T610-F612 PolarHBondContact O-N 2.79Å; T610-F612 VanDerWaalsContact O-N 3.16Å; T610-E613 WeakPolarHBondContact CB-OE2 3.34Å; T610-E613 PolarHBondContact N-OE2 2.75Å; T610-E613 WeakPolarHBondContact O-CA 3.29Å; T610-E613 WeakPolarHBondContact O-CB 3.33Å; T610-E613 PolarHBondContact O-N 2.81Å; T610-E613 PolarHBondContact OG1-OE2 3.16Å; T610-F614 PolarHBondContact O-N 3.33Å
611F79.7Confident76.5Confident10 Ų1065.5 Ų65.54%0.04433%0.333CS..Hα-helixtrans-53.2-38.5177.9-179.4-104.5000113.5Y122 I125 A126 F486 F614 L615Y122-F611 AromaticContact CD1-CD2 3.62Å; Y122-F611 HydrophobicContact CD1-CD2 3.62Å; Y122-F611 HydrophobicContact CD1-CE2 4.34Å; Y122-F611 HydrophobicContact CE1-CB 4.35Å; Y122-F611 HydrophobicContact CE1-CD2 4.17Å; Y122-F611 AromaticContact CG-CD2 3.82Å; Y122-F611 HydrophobicContact CG-CD2 3.82Å; Y122-F611 HydrophobicContact CG-CE2 4.45Å; I125-F611 HydrophobicContact CG2-CE2 4.24Å; I125-F611 HydrophobicContact CG2-CZ 4.42Å; A126-F611 HydrophobicContact CB-CE2 4.38Å; A126-F611 HydrophobicContact CB-CZ 4.17Å; F486-F611 HydrophobicContact CB-CB 4.2Å; F486-F611 HydrophobicContact CB-CD1 3.64Å; F486-F611 HydrophobicContact CB-CD2 3.92Å; F486-F611 HydrophobicContact CB-CE1 3.89Å; F486-F611 HydrophobicContact CB-CE2 4.14Å; F486-F611 HydrophobicContact CB-CG 3.65Å; F486-F611 HydrophobicContact CB-CZ 4.13Å; F486-F611 HydrophobicContact CD2-CD1 4.02Å; F486-F611 AromaticContact CG-CD1 3.97Å; F486-F611 HydrophobicContact CG-CD1 3.97Å; F486-F611 HydrophobicContact CG-CE1 4.14Å; F486-F611 HydrophobicContact CG-CG 4.43Å; F611-F614 HydrophobicContact CD2-CD1 4.41Å; F611-F614 HydrophobicContact CE2-CD1 4.46Å; F611-F614 WeakPolarHBondContact O-CB 3.42Å; F611-F614 PolarHBondContact O-N 3.23Å; F611-L615 HydrophobicContact CE1-CD1 4.15Å; F611-L615 WeakPolarHBondContact O-CB 3.5Å; F611-L615 PolarHBondContact O-N 2.82Å
612F80.3Confident76.1Confident139 Ų13965.2 Ų65.261%0.6134%0.337SS*.Hα-helixtrans-66.5-37.8175.1-71.9-72.7000113.2T610 L615 V616T610-F612 HydrophobicContact CG2-CD2 4.46Å; T610-F612 PolarHBondContact O-N 2.79Å; T610-F612 VanDerWaalsContact O-N 3.16Å; F612-L615 PolarHBondContact O-N 3.2Å; F612-V616 WeakPolarHBondContact O-CB 3.3Å; F612-V616 VanDerWaalsContact O-CG2 3.24Å; F612-V616 WeakPolarHBondContact O-CG2 3.12Å; F612-V616 PolarHBondContact O-N 3.15Å
613E81.1Confident75.7Confident94 Ų9466 Ų6644%0.43934%0.341SS..Hα-helixtrans-66.8-41175.4-68.6170.415400110.2I609 T610 V616 V617I609-E613 HydrophobicContact CD1-CB 3.87Å; I609-E613 HydrophobicContact CG1-CB 3.52Å; T610-E613 WeakPolarHBondContact CB-OE2 3.34Å; T610-E613 PolarHBondContact N-OE2 2.75Å; T610-E613 WeakPolarHBondContact O-CA 3.29Å; T610-E613 WeakPolarHBondContact O-CB 3.33Å; T610-E613 PolarHBondContact O-N 2.81Å; T610-E613 PolarHBondContact OG1-OE2 3.16Å; E613-V616 PolarHBondContact O-N 3.47Å; E613-V617 VanDerWaalsContact O-CG2 3.29Å; E613-V617 WeakPolarHBondContact O-CG2 3.04Å; E613-V617 PolarHBondContact O-N 3.04Å
614F83.6Confident75.4Confident4 Ų463.4 Ų63.42%0.01833%0.327CS..Hα-helixtrans-56.9-49.7170.9168.5-94000111.8Y113 N119 Y122 K123 I609 T610 F611 V616 V617 E618Y113-F614 HydrophobicContact CD2-CD2 4.19Å; Y113-F614 AromaticContact CE2-CD2 3.58Å; Y113-F614 HydrophobicContact CE2-CD2 3.58Å; Y113-F614 AromaticContact CE2-CE2 3.91Å; Y113-F614 HydrophobicContact CE2-CE2 3.91Å; N119-F614 HydrophobicContact CB-CD2 4.39Å; N119-F614 HydrophobicContact CB-CE2 3.87Å; Y122-F614 HydrophobicContact CD2-CB 3.98Å; Y122-F614 HydrophobicContact CD2-CD1 4.28Å; Y122-F614 HydrophobicContact CD2-CD2 4.15Å; Y122-F614 AromaticContact CD2-CG 3.87Å; Y122-F614 HydrophobicContact CD2-CG 3.87Å; Y122-F614 HydrophobicContact CG-CD1 4.29Å; Y122-F614 HydrophobicContact CG-CG 4.33Å; K123-F614 HydrophobicContact CB-CZ 4.19Å; I609-F614 HydrophobicContact CG2-CB 4.33Å; T610-F614 PolarHBondContact O-N 3.33Å; F611-F614 HydrophobicContact CD2-CD1 4.41Å; F611-F614 HydrophobicContact CE2-CD1 4.46Å; F611-F614 WeakPolarHBondContact O-CB 3.42Å; F611-F614 PolarHBondContact O-N 3.23Å; F614-V616 VanDerWaalsContact C-N 3.34Å; F614-V616 PolarHBondContact O-N 3.4Å; F614-V617 PolarHBondContact O-N 2.91Å; F614-E618 WeakPolarHBondContact O-CB 3.13Å; F614-E618 PolarHBondContact O-N 2.82Å
615L83Confident75.5Confident45 Ų4568.6 Ų68.624%0.23634%0.344CS..Hα-helixtrans-62.7-40179.6-160.7161.4000111.5F611 F612 V617 E618 F619F611-L615 HydrophobicContact CE1-CD1 4.15Å; F611-L615 WeakPolarHBondContact O-CB 3.5Å; F611-L615 PolarHBondContact O-N 2.82Å; F612-L615 PolarHBondContact O-N 3.2Å; L615-V617 VanDerWaalsContact C-N 3.33Å; L615-V617 PolarHBondContact O-N 2.78Å; L615-E618 PolarHBondContact O-N 3.11Å; L615-F619 HydrophobicContact CD2-CB 4.15Å; L615-F619 HydrophobicContact CD2-CD2 3.63Å; L615-F619 HydrophobicContact CD2-CE2 4.43Å; L615-F619 HydrophobicContact CD2-CG 4.2Å; L615-F619 HydrophobicContact CG-CD2 3.67Å; L615-F619 HydrophobicContact CG-CE2 4.11Å; L615-F619 WeakPolarHBondContact O-CB 3.24Å; L615-F619 PolarHBondContact O-N 2.8Å
616V81.6Confident76.1Confident77 Ų7767 Ų6747%0.46734%0.341SS..Hα-helixtrans-63.6-38.4176.7168.70000111.9F612 E613 F614 S620 L623F612-V616 WeakPolarHBondContact O-CB 3.3Å; F612-V616 VanDerWaalsContact O-CG2 3.24Å; F612-V616 WeakPolarHBondContact O-CG2 3.12Å; F612-V616 PolarHBondContact O-N 3.15Å; E613-V616 PolarHBondContact O-N 3.47Å; F614-V616 VanDerWaalsContact C-N 3.34Å; F614-V616 PolarHBondContact O-N 3.4Å; V616-S620 VanDerWaalsContact O-CA 3.26Å; V616-S620 WeakPolarHBondContact O-CA 3.48Å; V616-S620 VanDerWaalsContact O-CB 3.23Å; V616-S620 WeakPolarHBondContact O-CB 3.35Å; V616-S620 PolarHBondContact O-N 2.8Å; V616-S620 VanDerWaalsContact O-N 3.13Å; V616-L623 HydrophobicContact CB-CD1 4.42Å; V616-L623 HydrophobicContact CG2-CD1 4.27Å
617V81.3Confident76.8Confident20 Ų2071.3 Ų71.312%0.12135%0.354CS..Hα-helixtrans-67.7-52.6176.51710000110.3M108 L109 Y113 E613 F614 L615 S620M108-V617 HydrophobicContact CB-CG2 4.39Å; L109-V617 HydrophobicContact CD2-CG1 3.68Å; Y113-V617 HydrophobicContact CD2-CB 4.38Å; Y113-V617 HydrophobicContact CD2-CG1 3.99Å; Y113-V617 HydrophobicContact CE2-CB 4.21Å; Y113-V617 HydrophobicContact CE2-CG1 3.71Å; Y113-V617 HydrophobicContact CG-CG1 4.5Å; E613-V617 VanDerWaalsContact O-CG2 3.29Å; E613-V617 WeakPolarHBondContact O-CG2 3.04Å; E613-V617 PolarHBondContact O-N 3.04Å; F614-V617 PolarHBondContact O-N 2.91Å; L615-V617 VanDerWaalsContact C-N 3.33Å; L615-V617 PolarHBondContact O-N 2.78Å; V617-S620 VanDerWaalsContact O-CB 3.32Å; V617-S620 WeakPolarHBondContact O-CB 3.38Å; V617-S620 PolarHBondContact O-N 3.05Å; V617-S620 PolarHBondContact O-OG 3.05Å
618E81.6Confident77.3Confident87 Ų8775.1 Ų75.141%0.40737%0.367SS..Hα-helixtrans-68.2-44.4-174.5-167.669.6175.900112.4Y113 F614 L615 S620Y113-E618 PolarHBondContact OH-OE2 2.93Å; F614-E618 WeakPolarHBondContact O-CB 3.13Å; F614-E618 PolarHBondContact O-N 2.82Å; L615-E618 PolarHBondContact O-N 3.11Å; E618-S620 VanDerWaalsContact C-N 3.34Å; E618-S620 PolarHBondContact O-N 2.97Å
619F79.9Confident77.6Confident62 Ų6274.4 Ų74.427%0.27237%0.371SS..THydrogen-bonded Turntrans-94.317.2179.2-65-82.9000113.3F130 L615 G621 V622 L623F130-F619 HydrophobicContact CD2-CZ 4.46Å; F130-F619 HydrophobicContact CE2-CE1 4.32Å; F130-F619 AromaticContact CE2-CE2 3.95Å; F130-F619 HydrophobicContact CE2-CE2 3.95Å; F130-F619 AromaticContact CE2-CZ 3.54Å; F130-F619 HydrophobicContact CE2-CZ 3.54Å; F130-F619 HydrophobicContact CZ-CE2 4.41Å; F130-F619 HydrophobicContact CZ-CZ 4.07Å; L615-F619 HydrophobicContact CD2-CB 4.15Å; L615-F619 HydrophobicContact CD2-CD2 3.63Å; L615-F619 HydrophobicContact CD2-CE2 4.43Å; L615-F619 HydrophobicContact CD2-CG 4.2Å; L615-F619 HydrophobicContact CG-CD2 3.67Å; L615-F619 HydrophobicContact CG-CE2 4.11Å; L615-F619 WeakPolarHBondContact O-CB 3.24Å; L615-F619 PolarHBondContact O-N 2.8Å; F619-G621 PolarHBondContact O-N 3.47Å; F619-G621 VanDerWaalsContact O-N 3.14Å; F619-V622 HydrophobicContact CB-CB 4.4Å; F619-V622 HydrophobicContact CD1-CG2 4.28Å; F619-V622 WeakPolarHBondContact O-CA 3.19Å; F619-V622 PolarHBondContact O-N 2.79Å; F619-L623 HydrophobicContact CB-CD1 4.41Å; F619-L623 PolarHBondContact O-N 3.49Å
620S77.6Confident77.3Confident35 Ų3579.3 Ų79.325%0.24540%0.403CS..Hα-helixtrans-53.2-36.8-179.559.10000112.9V616 V617 E618 G624V616-S620 VanDerWaalsContact O-CA 3.26Å; V616-S620 WeakPolarHBondContact O-CA 3.48Å; V616-S620 VanDerWaalsContact O-CB 3.23Å; V616-S620 WeakPolarHBondContact O-CB 3.35Å; V616-S620 PolarHBondContact O-N 2.8Å; V616-S620 VanDerWaalsContact O-N 3.13Å; V617-S620 VanDerWaalsContact O-CB 3.32Å; V617-S620 WeakPolarHBondContact O-CB 3.38Å; V617-S620 PolarHBondContact O-N 3.05Å; V617-S620 PolarHBondContact O-OG 3.05Å; E618-S620 VanDerWaalsContact C-N 3.34Å; E618-S620 PolarHBondContact O-N 2.97Å; S620-G624 PolarHBondContact O-N 3.35Å
621G75Confident77Confident48 Ų4881.4 Ų81.450%0.49542%0.419SS..Hα-helixtrans-67.8-34.7175.900000114.1F619 R625F619-G621 PolarHBondContact O-N 3.47Å; F619-G621 VanDerWaalsContact O-N 3.14Å; G621-R625 PolarHBondContact O-N 3.37Å; G621-R625 VanDerWaalsContact O-N 3.16Å
622V74.9Confident76.2Confident52 Ų5289.5 Ų89.532%0.31545%0.45SS..Hα-helixtrans-75.5-47.8176.51760000110F619 G624 R625 F626F619-V622 HydrophobicContact CB-CB 4.4Å; F619-V622 HydrophobicContact CD1-CG2 4.28Å; F619-V622 WeakPolarHBondContact O-CA 3.19Å; F619-V622 PolarHBondContact O-N 2.79Å; V622-G624 VanDerWaalsContact C-N 3.25Å; V622-G624 PolarHBondContact O-N 3.19Å; V622-R625 WeakPolarHBondContact O-CA 3.33Å; V622-R625 WeakPolarHBondContact O-CB 3.5Å; V622-R625 PolarHBondContact O-N 2.93Å; V622-F626 HydrophobicContact CG1-CD2 3.66Å; V622-F626 HydrophobicContact CG1-CE2 3.36Å; V622-F626 WeakPolarHBondContact O-CD2 3.13Å; V622-F626 PolarHBondContact O-N 3.01Å
623L74.7Confident75.3Confident69 Ų6990.4 Ų90.436%0.36145%0.449SS..Hα-helixtrans-56.6-39.3172.3-78.6154.2000112.1V616 F619 F626 R627V616-L623 HydrophobicContact CB-CD1 4.42Å; V616-L623 HydrophobicContact CG2-CD1 4.27Å; F619-L623 HydrophobicContact CB-CD1 4.41Å; F619-L623 PolarHBondContact O-N 3.49Å; L623-F626 PolarHBondContact O-N 2.85Å; L623-R627 PolarHBondContact O-N 3.06Å
624G72.4Confident74.6Confident29 Ų2997.8 Ų97.830%0.29947%0.473SS..Hα-helixtrans-65.4-35.2174.500000113.3S620 V622 K628S620-G624 PolarHBondContact O-N 3.35Å; V622-G624 VanDerWaalsContact C-N 3.25Å; V622-G624 PolarHBondContact O-N 3.19Å; G624-K628 VanDerWaalsContact O-CG 3.31Å; G624-K628 WeakPolarHBondContact O-CG 3.34Å; G624-K628 PolarHBondContact O-N 2.84Å
625R74.8Confident73.8Confident176 Ų176103.5 Ų103.566%0.66450%0.504SS*.Hα-helixtrans-69.4-45.6171.8-87.7-173.6-78.1-178.5-3.9111.6G621 V622 R627 K628 L629G621-R625 PolarHBondContact O-N 3.37Å; G621-R625 VanDerWaalsContact O-N 3.16Å; V622-R625 WeakPolarHBondContact O-CA 3.33Å; V622-R625 WeakPolarHBondContact O-CB 3.5Å; V622-R625 PolarHBondContact O-N 2.93Å; R625-R627 VanDerWaalsContact C-N 3.31Å; R625-R627 PolarHBondContact O-N 3.33Å; R625-K628 WeakPolarHBondContact O-CB 3.41Å; R625-K628 PolarHBondContact O-N 3.41Å; R625-L629 PolarHBondContact O-N 3.46Å
626F74.3Confident73.2Confident117 Ų117107.4 Ų107.451%0.51352%0.516SS..Hα-helixtrans-59.3-41.1176.4-78.6-67.9000112.2V622 L623 K628 L629V622-F626 HydrophobicContact CG1-CD2 3.66Å; V622-F626 HydrophobicContact CG1-CE2 3.36Å; V622-F626 WeakPolarHBondContact O-CD2 3.13Å; V622-F626 PolarHBondContact O-N 3.01Å; L623-F626 PolarHBondContact O-N 2.85Å; F626-K628 PolarHBondContact O-N 2.87Å; F626-L629 HydrophobicContact CD1-CD1 3.69Å; F626-L629 HydrophobicContact CE1-CD1 4.38Å; F626-L629 WeakPolarHBondContact O-CB 3.08Å; F626-L629 PolarHBondContact O-N 3.07Å
627R70.7Confident72.9Confident182 Ų182108.2 Ų108.269%0.68752%0.521SS*.THydrogen-bonded Turntrans-65.9-19.1174.2-80.8-176.9171.7178.10.9114.8L623 R625 W632L623-R627 PolarHBondContact O-N 3.06Å; R625-R627 VanDerWaalsContact C-N 3.31Å; R625-R627 PolarHBondContact O-N 3.33Å; R627-W632 HydrophobicContact CG-CE3 4.4Å
628K72Confident72.5Confident148 Ų148115 Ų11564%0.64354%0.544SS*.THydrogen-bonded Turntrans-86.2-13.4177.2-74.3174.6-175.9-177.20113.3G624 R625 F626 R633G624-K628 VanDerWaalsContact O-CG 3.31Å; G624-K628 WeakPolarHBondContact O-CG 3.34Å; G624-K628 PolarHBondContact O-N 2.84Å; R625-K628 WeakPolarHBondContact O-CB 3.41Å; R625-K628 PolarHBondContact O-N 3.41Å; F626-K628 PolarHBondContact O-N 2.87Å; K628-R633 PolarHBondContact O-NE 3.33Å
629L75.5Confident72.4Confident88 Ų88115.8 Ų115.846%0.46155%0.552SS.*SBendtrans-61146174.8-70.9165.9000110.4R625 F626 C631 W632 R633R625-L629 PolarHBondContact O-N 3.46Å; F626-L629 HydrophobicContact CD1-CD1 3.69Å; F626-L629 HydrophobicContact CE1-CD1 4.38Å; F626-L629 WeakPolarHBondContact O-CB 3.08Å; F626-L629 PolarHBondContact O-N 3.07Å; L629-C631 VanDerWaalsContact C-N 3.26Å; L629-C631 PolarHBondContact O-N 3.2Å; L629-W632 PolarHBondContact O-N 2.64Å; L629-R633 PolarHBondContact O-N 2.84Å; L629-R633 VanDerWaalsContact O-N 3.09Å
630P70.6Confident72.5Confident108 Ų108116.7 Ų116.770%0.70158%0.578SS**G310 helixtrans-56-38.4-172.219.9-31.8000112.9W632 R633P630-W632 PolarHBondContact O-N 2.85Å; P630-R633 PolarHBondContact O-N 3.06Å
631C73.3Confident72.8Confident119 Ų119118.4 Ų118.480%0.80458%0.579SS**G310 helixtrans-65.6-22.1-179.8-52.70000114L629L629-C631 VanDerWaalsContact C-N 3.26Å; L629-C631 PolarHBondContact O-N 3.2Å
632W61.2Low73.4Confident181 Ų181119.3 Ų119.369%0.68658%0.575SS**G310 helixtrans-114.1-3.2-174.8-75.642.3000112.7R627 L629 P630 R634R627-W632 HydrophobicContact CG-CE3 4.4Å; L629-W632 PolarHBondContact O-N 2.64Å; P630-W632 PolarHBondContact O-N 2.85Å; W632-R634 PolarHBondContact O-N 3.3Å
633R62.2Low73.7Confident157 Ų157121.3 Ų121.359%0.59259%0.587SS**  trans-66.6108.1172.1-90.6-168.2-174.8-149.34.1109.5K628 L629 P630 N635K628-R633 PolarHBondContact O-NE 3.33Å; L629-R633 PolarHBondContact O-N 2.84Å; L629-R633 VanDerWaalsContact O-N 3.09Å; P630-R633 PolarHBondContact O-N 3.06Å; R633-N635 PolarHBondContact O-N 3.04Å
634R66.1Low74.3Confident250 Ų250121.5 Ų121.594%0.94360%0.599SS**  trans-72.396.7160.3-74.3-176.6171176.2-3.3108.3W632W632-R634 PolarHBondContact O-N 3.3Å
635N66.8Low75Confident124 Ų124124.5 Ų124.566%0.66361%0.605SS**  trans-64.1138.9168.9-70.6-19.7000109.3R633 V637R633-N635 PolarHBondContact O-N 3.04Å; N635-V637 PolarHBondContact O-N 3.23Å
636Y71.6Confident75.6Confident126 Ų126117.3 Ų117.349%0.49458%0.58SS.*  trans-70.4118.1174.8174.2-95.9000109.3R638 V643 N646Y636-R638 HydrophobicContact CD1-CB 4.45Å; Y636-R638 HydrophobicContact CE1-CB 3.91Å; Y636-R638 HydrophobicContact CE1-CG 4.25Å; Y636-V643 WeakPolarHBondContact OH-CA 3.49Å; Y636-N646 HydrophobicContact CE2-CB 4.11Å; Y636-N646 WeakPolarHBondContact OH-CB 3.2Å; Y636-N646 PolarHBondContact OH-ND2 3.49Å
637V74.7Confident76Confident95 Ų95115.3 Ų115.358%0.57658%0.577SS**  trans-95.9109.1175.8-170.10000108.2N635 N639N635-V637 PolarHBondContact O-N 3.23Å; V637-N639 VanDerWaalsContact C-N 3.27Å; V637-N639 WeakPolarHBondContact CG1-OD1 3.49Å; V637-N639 PolarHBondContact O-N 2.82Å
638R72.6Confident76.9Confident162 Ų162109.1 Ų109.161%0.61156%0.561SS**  trans-62.9-31.2-174.8-171.9175.9173.7-175.5-3.6112.9Y636 G640 R641 N646Y636-R638 HydrophobicContact CD1-CB 4.45Å; Y636-R638 HydrophobicContact CE1-CB 3.91Å; Y636-R638 HydrophobicContact CE1-CG 4.25Å; R638-G640 PolarHBondContact O-N 3.38Å; R638-G640 VanDerWaalsContact O-N 3.16Å; R638-R641 WeakPolarHBondContact CG-O 3.38Å; R638-R641 PolarHBondContact NE-O 3.1Å; R638-R641 VanDerWaalsContact NE-O 3.08Å; R638-R641 PolarHBondContact O-N 3.48Å; R638-N646 PolarHBondContact O-ND2 3.17Å
639N79Confident77.6Confident104 Ų104108.5 Ų108.556%0.55656%0.555SS**THydrogen-bonded Turntrans47.840.7-179.7-74.1-21.2000113.3V637 R641V637-N639 VanDerWaalsContact C-N 3.27Å; V637-N639 WeakPolarHBondContact CG1-OD1 3.49Å; V637-N639 PolarHBondContact O-N 2.82Å; N639-R641 PolarHBondContact O-N 3.22Å; N639-R641 VanDerWaalsContact O-N 3.14Å
640G83.3Confident78.1Confident80 Ų80111.1 Ų111.183%0.82556%0.563SS**THydrogen-bonded Turntrans68.35.3179.900000116R638R638-G640 PolarHBondContact O-N 3.38Å; R638-G640 VanDerWaalsContact O-N 3.16Å
641R83.8Confident79Confident71 Ų71110.2 Ų110.227%0.26855%0.552SS.*  trans-103.7161.3-173.8-69.6168.4-159.412510.7112.3R638 N639 E645 N646 R649R638-R641 WeakPolarHBondContact CG-O 3.38Å; R638-R641 PolarHBondContact NE-O 3.1Å; R638-R641 VanDerWaalsContact NE-O 3.08Å; R638-R641 PolarHBondContact O-N 3.48Å; N639-R641 PolarHBondContact O-N 3.22Å; N639-R641 VanDerWaalsContact O-N 3.14Å; R641-E645 VanDerWaalsContact CA-OE2 3.23Å; R641-E645 WeakPolarHBondContact CA-OE2 3.26Å; R641-E645 HydrophobicContact CB-CB 3.97Å; R641-E645 VanDerWaalsContact CB-OE2 3.23Å; R641-E645 WeakPolarHBondContact CB-OE2 3.45Å; R641-E645 HydrophobicContact CG-CB 4.46Å; R641-E645 WeakPolarHBondContact CG-OE2 3.23Å; R641-N646 WeakPolarHBondContact CD-OD1 3.44Å; R641-R649 VanDerWaalsContact NE-CZ 3.26Å; R641-R649 VanDerWaalsContact NE-NH1 3.19Å
642T86.2Confident79.8Confident67 Ų67108.5 Ų108.541%0.41153%0.534SS..  trans-73.5161.1168.465.80000110.8A644 E645 N646T642-A644 PolarHBondContact O-N 3.3Å; T642-E645 PolarHBondContact N-OE2 3.11Å; T642-E645 PolarHBondContact O-N 2.86Å; T642-E645 WeakPolarHBondContact OG1-CB 3.32Å; T642-E645 VanDerWaalsContact OG1-CG 3.31Å; T642-E645 WeakPolarHBondContact OG1-CG 3.44Å; T642-E645 PolarHBondContact OG1-N 3.29Å; T642-N646 PolarHBondContact O-N 2.81Å
643V82.7Confident81.1Confident95 Ų95102.5 Ų102.558%0.57652%0.52SS*.Hα-helixtrans-59.9-39.1175.4179.10000110.7Y636 N646 V647Y636-V643 WeakPolarHBondContact OH-CA 3.49Å; V643-N646 PolarHBondContact O-N 3.38Å; V643-V647 HydrophobicContact CG1-CG2 4.27Å; V643-V647 WeakPolarHBondContact O-CB 3.45Å; V643-V647 VanDerWaalsContact O-CG2 3.25Å; V643-V647 WeakPolarHBondContact O-CG2 3.4Å; V643-V647 PolarHBondContact O-N 3.4Å
644A86.1Confident82.2Confident72 Ų7298.5 Ų98.560%0.59551%0.509SS*.Hα-helixtrans-61.8-42.7175.600000112.8T642 V647 S648T642-A644 PolarHBondContact O-N 3.3Å; A644-V647 PolarHBondContact O-N 2.93Å; A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 2.96Å; A644-S648 PolarHBondContact O-OG 3.27Å
645E87.4Confident83.2Confident92 Ų9289.8 Ų89.843%0.4348%0.481SS..Hα-helixtrans-65.1-39.8175.4-79.5173.9167.200113R641 T642 S648 R649R641-E645 VanDerWaalsContact CA-OE2 3.23Å; R641-E645 WeakPolarHBondContact CA-OE2 3.26Å; R641-E645 HydrophobicContact CB-CB 3.97Å; R641-E645 VanDerWaalsContact CB-OE2 3.23Å; R641-E645 WeakPolarHBondContact CB-OE2 3.45Å; R641-E645 HydrophobicContact CG-CB 4.46Å; R641-E645 WeakPolarHBondContact CG-OE2 3.23Å; T642-E645 PolarHBondContact N-OE2 3.11Å; T642-E645 PolarHBondContact O-N 2.86Å; T642-E645 WeakPolarHBondContact OG1-CB 3.32Å; T642-E645 VanDerWaalsContact OG1-CG 3.31Å; T642-E645 WeakPolarHBondContact OG1-CG 3.44Å; T642-E645 PolarHBondContact OG1-N 3.29Å; E645-S648 VanDerWaalsContact CA-OG 3.24Å; E645-S648 WeakPolarHBondContact CA-OG 3.39Å; E645-S648 PolarHBondContact O-OG 3.4Å; E645-R649 WeakPolarHBondContact O-CB 3.42Å; E645-R649 WeakPolarHBondContact O-CG 3.36Å; E645-R649 PolarHBondContact O-N 2.79Å
646N86.6Confident84.2Confident25 Ų2592.5 Ų92.513%0.13448%0.482CS..Hα-helixtrans-71.5-35177.4-84-27.6000111.9Y636 R638 R641 T642 V643 K650Y636-N646 HydrophobicContact CE2-CB 4.11Å; Y636-N646 WeakPolarHBondContact OH-CB 3.2Å; Y636-N646 PolarHBondContact OH-ND2 3.49Å; R638-N646 PolarHBondContact O-ND2 3.17Å; R641-N646 WeakPolarHBondContact CD-OD1 3.44Å; T642-N646 PolarHBondContact O-N 2.81Å; V643-N646 PolarHBondContact O-N 3.38Å; N646-K650 VanDerWaalsContact O-CB 3.31Å; N646-K650 WeakPolarHBondContact O-CB 3.47Å; N646-K650 PolarHBondContact O-N 3.18Å
647V84.4Confident84.9Confident76 Ų7691.7 Ų91.746%0.46148%0.482SS..Hα-helixtrans-68.5-46.7174.7170.40000110.9V643 A644 K650 L651V643-V647 HydrophobicContact CG1-CG2 4.27Å; V643-V647 WeakPolarHBondContact O-CB 3.45Å; V643-V647 VanDerWaalsContact O-CG2 3.25Å; V643-V647 WeakPolarHBondContact O-CG2 3.4Å; V643-V647 PolarHBondContact O-N 3.4Å; A644-V647 PolarHBondContact O-N 2.93Å; V647-K650 WeakPolarHBondContact O-CB 3.24Å; V647-K650 PolarHBondContact O-N 3.12Å; V647-K650 VanDerWaalsContact O-N 3.13Å; V647-L651 HydrophobicContact CG1-CD1 3.88Å; V647-L651 WeakPolarHBondContact O-CG 3.38Å; V647-L651 PolarHBondContact O-N 3.37Å
648S88.4Confident85.4Confident51 Ų5193.8 Ų93.836%0.35748%0.48SS..Hα-helixtrans-60.5-47.1176.450.90000111.6A644 E645 K650 L651 D652A644-S648 WeakPolarHBondContact O-CB 3.46Å; A644-S648 PolarHBondContact O-N 2.96Å; A644-S648 PolarHBondContact O-OG 3.27Å; E645-S648 VanDerWaalsContact CA-OG 3.24Å; E645-S648 WeakPolarHBondContact CA-OG 3.39Å; E645-S648 PolarHBondContact O-OG 3.4Å; S648-K650 PolarHBondContact O-N 3.03Å; S648-L651 WeakPolarHBondContact O-CB 3.33Å; S648-L651 PolarHBondContact O-N 3.43Å; S648-L651 VanDerWaalsContact O-N 3.15Å; S648-D652 WeakPolarHBondContact O-CB 3.43Å; S648-D652 PolarHBondContact O-N 2.87Å
649R87.3Confident86Confident136 Ų13690.3 Ų90.351%0.51347%0.473SS..Hα-helixtrans-58.1-37.5173.3-80-172-179.5-156.22.7113.2R641 E645 S653R641-R649 VanDerWaalsContact NE-CZ 3.26Å; R641-R649 VanDerWaalsContact NE-NH1 3.19Å; E645-R649 WeakPolarHBondContact O-CB 3.42Å; E645-R649 WeakPolarHBondContact O-CG 3.36Å; E645-R649 PolarHBondContact O-N 2.79Å; R649-S653 WeakPolarHBondContact O-CB 3.48Å; R649-S653 PolarHBondContact O-N 3.21Å
650K86.2Confident86.2Confident142 Ų14291.2 Ų91.262%0.61748%0.475SS*.Hα-helixtrans-69.3-42.7178.4-169.1169.2-177.5178.20111N646 V647 S648 S653 M654N646-K650 VanDerWaalsContact O-CB 3.31Å; N646-K650 WeakPolarHBondContact O-CB 3.47Å; N646-K650 PolarHBondContact O-N 3.18Å; V647-K650 WeakPolarHBondContact O-CB 3.24Å; V647-K650 PolarHBondContact O-N 3.12Å; V647-K650 VanDerWaalsContact O-N 3.13Å; S648-K650 PolarHBondContact O-N 3.03Å; K650-S653 PolarHBondContact O-N 2.84Å; K650-S653 PolarHBondContact O-OG 2.79Å; K650-M654 WeakPolarHBondContact O-CG 3.33Å; K650-M654 PolarHBondContact O-N 2.92Å
651L89Confident86Confident90 Ų9094.8 Ų94.847%0.47146%0.464SS..Hα-helixtrans-59.4-48.9172.1-75.8161.3000110.8V647 S648 S653 M654 D655V647-L651 HydrophobicContact CG1-CD1 3.88Å; V647-L651 WeakPolarHBondContact O-CG 3.38Å; V647-L651 PolarHBondContact O-N 3.37Å; S648-L651 WeakPolarHBondContact O-CB 3.33Å; S648-L651 PolarHBondContact O-N 3.43Å; S648-L651 VanDerWaalsContact O-N 3.15Å; L651-S653 VanDerWaalsContact C-N 3.3Å; L651-S653 PolarHBondContact O-N 2.7Å; L651-M654 CarbonylContact O-C 3.6Å; L651-M654 WeakPolarHBondContact O-CA 3.23Å; L651-M654 WeakPolarHBondContact O-CB 3.25Å; L651-M654 PolarHBondContact O-N 2.88Å; L651-D655 PolarHBondContact O-N 2.86Å
652D90.1Very high85.7Confident83 Ų8399.7 Ų99.744%0.44448%0.483SS..Hα-helixtrans-58-41.9175.6-74.7-10.9000112S648 M654 D655 R656S648-D652 WeakPolarHBondContact O-CB 3.43Å; S648-D652 PolarHBondContact O-N 2.87Å; D652-M654 VanDerWaalsContact C-N 3.32Å; D652-M654 PolarHBondContact O-N 3.12Å; D652-D655 PolarHBondContact O-N 3.12Å; D652-R656 WeakPolarHBondContact O-CB 3.42Å; D652-R656 VanDerWaalsContact O-CG 3.25Å; D652-R656 WeakPolarHBondContact O-CG 3.13Å; D652-R656 PolarHBondContact O-N 2.94Å
653S89.3Confident85.4Confident54 Ų54105.3 Ų105.338%0.37850%0.496SS..Hα-helixtrans-64.7-38.1177.177.30000112.1R649 K650 L651 Q657R649-S653 WeakPolarHBondContact O-CB 3.48Å; R649-S653 PolarHBondContact O-N 3.21Å; K650-S653 PolarHBondContact O-N 2.84Å; K650-S653 PolarHBondContact O-OG 2.79Å; L651-S653 VanDerWaalsContact C-N 3.3Å; L651-S653 PolarHBondContact O-N 2.7Å; S653-Q657 WeakPolarHBondContact O-CB 3.36Å; S653-Q657 WeakPolarHBondContact O-CG 3.32Å; S653-Q657 PolarHBondContact O-N 2.91Å
654M84.7Confident84.9Confident74 Ų74105.8 Ų105.837%0.36550%0.495SS..Hα-helixtrans-68.4-40.4176-74.8176.449.300111.1K650 L651 D652 Q657 R658K650-M654 WeakPolarHBondContact O-CG 3.33Å; K650-M654 PolarHBondContact O-N 2.92Å; L651-M654 CarbonylContact O-C 3.6Å; L651-M654 WeakPolarHBondContact O-CA 3.23Å; L651-M654 WeakPolarHBondContact O-CB 3.25Å; L651-M654 PolarHBondContact O-N 2.88Å; D652-M654 VanDerWaalsContact C-N 3.32Å; D652-M654 PolarHBondContact O-N 3.12Å; M654-Q657 PolarHBondContact O-N 3.44Å; M654-R658 WeakPolarHBondContact O-CB 3.22Å; M654-R658 VanDerWaalsContact O-CG 3.31Å; M654-R658 WeakPolarHBondContact O-CG 3.42Å; M654-R658 PolarHBondContact O-N 2.82Å
655D87.6Confident83.9Confident66 Ų66111.1 Ų111.135%0.35350%0.5SS..Hα-helixtrans-70.3-38.8177.7-73.5-21.8000111.7L651 D652 Q657 R658 L659L651-D655 PolarHBondContact O-N 2.86Å; D652-D655 PolarHBondContact O-N 3.12Å; D655-Q657 PolarHBondContact O-N 2.84Å; D655-R658 PolarHBondContact O-N 2.86Å; D655-R658 IonicContact OD1-CZ 3.23Å; D655-R658 IonicContact OD1-NH1 2.65Å; D655-R658 PolarHBondContact OD1-NH1 3.37Å; D655-L659 WeakPolarHBondContact O-CB 3.25Å; D655-L659 VanDerWaalsContact O-CG 3.31Å; D655-L659 WeakPolarHBondContact O-CG 3.27Å; D655-L659 PolarHBondContact O-N 3.38Å
656R87.4Confident82.9Confident181 Ų181114.6 Ų114.668%0.68352%0.516SS*.Hα-helixtrans-59.3-44.3168.9-73.6177.3-165.1-175.64.4111.9D652 L659 M660D652-R656 WeakPolarHBondContact O-CB 3.42Å; D652-R656 VanDerWaalsContact O-CG 3.25Å; D652-R656 WeakPolarHBondContact O-CG 3.13Å; D652-R656 PolarHBondContact O-N 2.94Å; R656-L659 PolarHBondContact O-N 3.38Å; R656-M660 WeakPolarHBondContact O-CB 3.5Å; R656-M660 PolarHBondContact O-N 3.13Å
657Q85.7Confident81.7Confident109 Ų109116.8 Ų116.851%0.50955%0.545SS..Hα-helixtrans-63.8-40.7175.3-80.8-175.4-8.200112.2S653 M654 D655 M660 R661S653-Q657 WeakPolarHBondContact O-CB 3.36Å; S653-Q657 WeakPolarHBondContact O-CG 3.32Å; S653-Q657 PolarHBondContact O-N 2.91Å; M654-Q657 PolarHBondContact O-N 3.44Å; D655-Q657 PolarHBondContact O-N 2.84Å; Q657-M660 PolarHBondContact O-N 3.27Å; Q657-R661 WeakPolarHBondContact O-CB 3.16Å; Q657-R661 VanDerWaalsContact O-CG 3.28Å; Q657-R661 WeakPolarHBondContact O-CG 3.49Å; Q657-R661 PolarHBondContact O-N 2.96Å
658R84.9Confident80.3Confident139 Ų139122.3 Ų122.353%0.52556%0.557SS.*Hα-helixtrans-62.8-44.6175.1-76.9169.4174.9171.4-5.8111.3M654 D655 R661 R662M654-R658 WeakPolarHBondContact O-CB 3.22Å; M654-R658 VanDerWaalsContact O-CG 3.31Å; M654-R658 WeakPolarHBondContact O-CG 3.42Å; M654-R658 PolarHBondContact O-N 2.82Å; D655-R658 PolarHBondContact O-N 2.86Å; D655-R658 IonicContact OD1-CZ 3.23Å; D655-R658 IonicContact OD1-NH1 2.65Å; D655-R658 PolarHBondContact OD1-NH1 3.37Å; R658-R661 PolarHBondContact O-N 3.17Å; R658-R662 WeakPolarHBondContact O-CG 3.32Å; R658-R662 PolarHBondContact O-N 3.2Å
659L85.8Confident78.6Confident90 Ų90129.3 Ų129.347%0.47158%0.584SS.*Hα-helixtrans-62.9-44.8175.5-73.6168.4000111.4D655 R656 R661 R662 R663D655-L659 WeakPolarHBondContact O-CB 3.25Å; D655-L659 VanDerWaalsContact O-CG 3.31Å; D655-L659 WeakPolarHBondContact O-CG 3.27Å; D655-L659 PolarHBondContact O-N 3.38Å; R656-L659 PolarHBondContact O-N 3.38Å; L659-R661 PolarHBondContact O-N 3.25Å; L659-R662 WeakPolarHBondContact O-CB 3.45Å; L659-R662 PolarHBondContact O-N 3.26Å; L659-R663 WeakPolarHBondContact O-CG 3.49Å; L659-R663 PolarHBondContact O-N 3.17Å
660M83.4Confident76.6Confident122 Ų122129.4 Ų129.460%0.60159%0.59SS**Hα-helixtrans-61.4-42.9175.8-171.2-174.8-173.800111.6R656 Q657 R662 R663 L664R656-M660 WeakPolarHBondContact O-CB 3.5Å; R656-M660 PolarHBondContact O-N 3.13Å; Q657-M660 PolarHBondContact O-N 3.27Å; M660-R662 VanDerWaalsContact C-N 3.35Å; M660-R662 PolarHBondContact O-N 2.84Å; M660-R663 PolarHBondContact O-N 3.03Å; M660-L664 HydrophobicContact CE-CD1 4.46Å; M660-L664 HydrophobicContact CG-CD1 4.12Å; M660-L664 WeakPolarHBondContact O-CB 2.71Å; M660-L664 WeakPolarHBondContact O-CG 3.23Å; M660-L664 PolarHBondContact O-N 3.47Å
661R79.6Confident74.9Confident156 Ų156128.9 Ų128.959%0.58960%0.599SS**Hα-helixtrans-63.2-39.6174.1-74.6176.7-173-175.83.6112Q657 R658 L659 L664 R665Q657-R661 WeakPolarHBondContact O-CB 3.16Å; Q657-R661 VanDerWaalsContact O-CG 3.28Å; Q657-R661 WeakPolarHBondContact O-CG 3.49Å; Q657-R661 PolarHBondContact O-N 2.96Å; R658-R661 PolarHBondContact O-N 3.17Å; L659-R661 PolarHBondContact O-N 3.25Å; R661-L664 PolarHBondContact O-N 3.36Å; R661-R665 WeakPolarHBondContact O-CB 3.49Å; R661-R665 VanDerWaalsContact O-CG 3.25Å; R661-R665 WeakPolarHBondContact O-CG 3.25Å; R661-R665 PolarHBondContact O-N 3.21Å
662R77.2Confident73.1Confident174 Ų174129 Ų12966%0.65761%0.607SS**Hα-helixtrans-62.4-44.3173.4-76.6179.7176.6-174.1-0.9111.2R658 L659 M660 R665 Q666R658-R662 WeakPolarHBondContact O-CG 3.32Å; R658-R662 PolarHBondContact O-N 3.2Å; L659-R662 WeakPolarHBondContact O-CB 3.45Å; L659-R662 PolarHBondContact O-N 3.26Å; M660-R662 VanDerWaalsContact C-N 3.35Å; M660-R662 PolarHBondContact O-N 2.84Å; R662-R665 WeakPolarHBondContact O-CB 3.46Å; R662-R665 PolarHBondContact O-N 3.15Å; R662-Q666 WeakPolarHBondContact O-CG 3.44Å; R662-Q666 PolarHBondContact O-N 3.46Å
663R78.3Confident71.3Confident185 Ų185134.1 Ų134.170%0.69862%0.62SS**Hα-helixtrans-63.6-44.3175.2-69.9-175.4-162.1178.53.9112.6L659 M660 R665 Q666 G667L659-R663 WeakPolarHBondContact O-CG 3.49Å; L659-R663 PolarHBondContact O-N 3.17Å; M660-R663 PolarHBondContact O-N 3.03Å; R663-R665 VanDerWaalsContact C-N 3.27Å; R663-R665 PolarHBondContact O-N 3.19Å; R663-Q666 PolarHBondContact O-N 2.81Å; R663-G667 PolarHBondContact O-N 3.23Å
664L73.6Confident69.9Low105 Ų105137.4 Ų137.455%0.5564%0.64SS.*Hα-helixtrans-61.9-36175.5-76.9163.2000112M660 R661 Q666 R668M660-L664 HydrophobicContact CE-CD1 4.46Å; M660-L664 HydrophobicContact CG-CD1 4.12Å; M660-L664 WeakPolarHBondContact O-CB 2.71Å; M660-L664 WeakPolarHBondContact O-CG 3.23Å; M660-L664 PolarHBondContact O-N 3.47Å; R661-L664 PolarHBondContact O-N 3.36Å; L664-Q666 VanDerWaalsContact C-N 3.34Å; L664-R668 PolarHBondContact O-N 3.01Å; L664-R668 VanDerWaalsContact O-N 3.09Å
665R65.3Low68.9Low184 Ų184138.7 Ų138.769%0.69465%0.652SS**Hα-helixtrans-71.1-26173.1-76.5177.7-179.5-169.6-1113.5R661 R662 R663R661-R665 WeakPolarHBondContact O-CB 3.49Å; R661-R665 VanDerWaalsContact O-CG 3.25Å; R661-R665 WeakPolarHBondContact O-CG 3.25Å; R661-R665 PolarHBondContact O-N 3.21Å; R662-R665 WeakPolarHBondContact O-CB 3.46Å; R662-R665 PolarHBondContact O-N 3.15Å; R663-R665 VanDerWaalsContact C-N 3.27Å; R663-R665 PolarHBondContact O-N 3.19Å
666Q65.3Low68Low164 Ų164137.3 Ų137.377%0.76665%0.647SS**Hα-helixtrans-82-35.1173.4-76.5176.7-3000112R662 R663 L664R662-Q666 WeakPolarHBondContact O-CG 3.44Å; R662-Q666 PolarHBondContact O-N 3.46Å; R663-Q666 PolarHBondContact O-N 2.81Å; L664-Q666 VanDerWaalsContact C-N 3.34Å
667G62.3Low67.6Low72 Ų72132.8 Ų132.874%0.74265%0.649SS**Hα-helixtrans-80.9-23.7-17900000115R663R663-G667 PolarHBondContact O-N 3.23Å
668R55.5Low67Low191 Ų191132.9 Ų132.972%0.72165%0.649SS**THydrogen-bonded Turntrans-91.8121.6159.9-85177.7-174.5170.22.5106.8L664 H670L664-R668 PolarHBondContact O-N 3.01Å; L664-R668 VanDerWaalsContact O-N 3.09Å; R668-H670 PolarHBondContact O-N 3.43Å
669H51.3Low66.5Low199 Ų199128.3 Ų128.392%0.92164%0.635SS**THydrogen-bonded Turntrans-58.671.6157.7-87.2-73.5000109.4V671H669-V671 PolarHBondContact O-N 3.22Å
670H46.4Very low66.2Low138 Ų138126.4 Ų126.464%0.63963%0.633SS**  trans-89.1101.7169.7-146.5-26.3000104.5R668 S672R668-H670 PolarHBondContact O-N 3.43Å; H670-S672 PolarHBondContact O-N 2.83Å; H670-S672 PolarHBondContact O-OG 3.45Å
671V50.3Low66.2Low131 Ų131125 Ų12579%0.79463%0.627SS**  trans-50.294.9164.7179.40000106.2H669 R673H669-V671 PolarHBondContact O-N 3.22Å; V671-R673 PolarHBondContact O-N 2.95Å
672S49.9Very low66.2Low92 Ų92119.3 Ų119.364%0.64361%0.608SS**  trans-74113.2173.7-62.60000103.6H670H670-S672 PolarHBondContact O-N 2.83Å; H670-S672 PolarHBondContact O-OG 3.45Å
673R54.2Low66.4Low190 Ų190115.9 Ų115.972%0.71760%0.599SS**PPolyproline II helixtrans-47.9133.7171.1-86-178.2170.3-174.5-6.1107.8V671 V675V671-R673 PolarHBondContact O-N 2.95Å; R673-V675 PolarHBondContact O-N 3.38Å; R673-V675 VanDerWaalsContact O-N 3.12Å
674P59.6Low66.7Low123 Ų123115.6 Ų115.680%0.79960%0.599SS**PPolyproline II helixtrans-52.8125.4172.922.8-31.4000107.4S676P674-S676 PolarHBondContact O-N 3.39Å
675V62.8Low67.3Low102 Ų102116.3 Ų116.362%0.61860%0.598SS**PPolyproline II helixtrans-61.3120.5173.9179.40000105.6R673 A677 D679 A680R673-V675 PolarHBondContact O-N 3.38Å; R673-V675 VanDerWaalsContact O-N 3.12Å; V675-A677 PolarHBondContact O-N 2.88Å; V675-D679 HydrophobicContact CG1-CB 3.68Å; V675-A680 HydrophobicContact CG1-CB 4.28Å
676S68.9Low68.2Low37 Ų37108.3 Ų108.326%0.25957%0.569SS.*PPolyproline II helixtrans-54.5140.5176.8178.70000108.6P674 E678 D679 A680P674-S676 PolarHBondContact O-N 3.39Å; S676-E678 PolarHBondContact O-N 2.93Å; S676-E678 VanDerWaalsContact O-N 3.09Å; S676-D679 WeakPolarHBondContact O-CB 3.49Å; S676-D679 PolarHBondContact O-N 2.91Å; S676-A680 PolarHBondContact O-N 3.17Å; S676-A680 VanDerWaalsContact O-N 3.16Å
677A78.5Confident69.1Low86 Ų86107.3 Ų107.371%0.71156%0.558SS**Hα-helixtrans-54.9-31.217900000111.3V675 L681V675-A677 PolarHBondContact O-N 2.88Å; A677-L681 WeakPolarHBondContact O-CB 3.18Å; A677-L681 PolarHBondContact O-N 3.4Å; A677-L681 VanDerWaalsContact O-N 3.08Å
678E74.6Confident70.4Confident111 Ų111105.4 Ų105.452%0.51954%0.539SS..Hα-helixtrans-66.9-43.7174.7-59.4-168176.200113S676 A680 L681 L682S676-E678 PolarHBondContact O-N 2.93Å; S676-E678 VanDerWaalsContact O-N 3.09Å; E678-A680 VanDerWaalsContact C-N 3.3Å; E678-A680 PolarHBondContact O-N 2.84Å; E678-L681 PolarHBondContact O-N 2.88Å; E678-L682 WeakPolarHBondContact O-CB 3.22Å; E678-L682 WeakPolarHBondContact O-CG 3.11Å; E678-L682 PolarHBondContact O-N 3.31Å
679D72.9Confident71.8Confident42 Ų4298.9 Ų98.923%0.22552%0.518CS..Hα-helixtrans-60.8-41.4176.7-93-40.4000111.2R112 V675 S676 L681 L682 E683R112-D679 IonicContact NH2-OD1 3.94Å; R112-D679 PolarHBondContact NH2-OD1 3.07Å; V675-D679 HydrophobicContact CG1-CB 3.68Å; S676-D679 WeakPolarHBondContact O-CB 3.49Å; S676-D679 PolarHBondContact O-N 2.91Å; D679-L681 VanDerWaalsContact C-N 3.34Å; D679-L682 PolarHBondContact O-N 3.3Å; D679-E683 WeakPolarHBondContact O-CB 3.44Å; D679-E683 PolarHBondContact O-N 3.11Å
680A79.6Confident73.5Confident51 Ų5193.5 Ų93.542%0.42149%0.492SS..Hα-helixtrans-65.2-40.2176.700000111.5V675 S676 E678 E683 Y684V675-A680 HydrophobicContact CG1-CB 4.28Å; S676-A680 PolarHBondContact O-N 3.17Å; S676-A680 VanDerWaalsContact O-N 3.16Å; E678-A680 VanDerWaalsContact C-N 3.3Å; E678-A680 PolarHBondContact O-N 2.84Å; A680-E683 PolarHBondContact O-N 2.88Å; A680-Y684 WeakPolarHBondContact O-CB 2.97Å; A680-Y684 PolarHBondContact O-N 2.94Å
681L84.3Confident75.6Confident93 Ų9393.5 Ų93.549%0.48749%0.494SS..Hα-helixtrans-67.3-38.5176.4-175.8140000112.1A677 E678 D679 Y684 K685A677-L681 WeakPolarHBondContact O-CB 3.18Å; A677-L681 PolarHBondContact O-N 3.4Å; A677-L681 VanDerWaalsContact O-N 3.08Å; E678-L681 PolarHBondContact O-N 2.88Å; D679-L681 VanDerWaalsContact C-N 3.34Å; L681-Y684 WeakPolarHBondContact O-CB 3.31Å; L681-Y684 PolarHBondContact O-N 3.37Å; L681-K685 HydrophobicContact CD2-CD 3.95Å; L681-K685 WeakPolarHBondContact O-CG 3.4Å; L681-K685 PolarHBondContact O-N 3.02Å
682L79.5Confident77.4Confident35 Ų3590.7 Ų90.718%0.18348%0.477CS..Hα-helixtrans-66.7-43.7174.2-75.3167.5000111.9N607 E678 D679 Y684 K685 D686N607-L682 WeakPolarHBondContact OD1-CD1 3.33Å; E678-L682 WeakPolarHBondContact O-CB 3.22Å; E678-L682 WeakPolarHBondContact O-CG 3.11Å; E678-L682 PolarHBondContact O-N 3.31Å; D679-L682 PolarHBondContact O-N 3.3Å; L682-Y684 VanDerWaalsContact C-N 3.26Å; L682-Y684 PolarHBondContact O-N 2.99Å; L682-K685 PolarHBondContact O-N 3.44Å; L682-D686 WeakPolarHBondContact O-CB 3.32Å; L682-D686 PolarHBondContact O-N 3.28Å
683E81Confident79.2Confident102 Ų10287.4 Ų87.448%0.47745%0.452SS..Hα-helixtrans-63.4-36.3175.7-163.2-174.2168.200111.3D679 A680 D686 R687D679-E683 WeakPolarHBondContact O-CB 3.44Å; D679-E683 PolarHBondContact O-N 3.11Å; A680-E683 PolarHBondContact O-N 2.88Å; E683-D686 PolarHBondContact O-N 3.47Å; E683-R687 VanDerWaalsContact O-CG 3.26Å; E683-R687 WeakPolarHBondContact O-CG 3.49Å; E683-R687 PolarHBondContact O-N 2.82Å; E683-R687 IonicContact OE1-CZ 3.34Å; E683-R687 IonicContact OE1-NE 3.24Å; E683-R687 PolarHBondContact OE1-NE 2.95Å; E683-R687 IonicContact OE1-NH2 3.77Å; E683-R687 PolarHBondContact OE1-NH2 3.02Å; E683-R687 IonicContact OE2-NH2 2.86Å
684Y85.5Confident80.9Confident179 Ų17981.5 Ų81.570%0.70244%0.437SS*.Hα-helixtrans-63.4-48.3172.9179.8-97.3000112A680 L681 L682 D686 R687 G688A680-Y684 WeakPolarHBondContact O-CB 2.97Å; A680-Y684 PolarHBondContact O-N 2.94Å; L681-Y684 WeakPolarHBondContact O-CB 3.31Å; L681-Y684 PolarHBondContact O-N 3.37Å; L682-Y684 VanDerWaalsContact C-N 3.26Å; L682-Y684 PolarHBondContact O-N 2.99Å; Y684-D686 VanDerWaalsContact C-N 3.34Å; Y684-D686 PolarHBondContact O-N 3.46Å; Y684-R687 PolarHBondContact O-N 2.84Å; Y684-G688 PolarHBondContact O-N 2.99Å
685K85.2Confident82.4Confident121 Ų12181.1 Ų81.153%0.52643%0.425SS..Hα-helixtrans-57.9-44.8174.6-76.7-179.8174.2176.30111.8L681 L682 R687 G688 D689L681-K685 HydrophobicContact CD2-CD 3.95Å; L681-K685 WeakPolarHBondContact O-CG 3.4Å; L681-K685 PolarHBondContact O-N 3.02Å; L682-K685 PolarHBondContact O-N 3.44Å; K685-R687 VanDerWaalsContact C-N 3.32Å; K685-R687 PolarHBondContact O-N 2.78Å; K685-G688 PolarHBondContact O-N 3.13Å; K685-G688 VanDerWaalsContact O-N 3.15Å; K685-D689 PolarHBondContact O-N 3.15Å
686D83.8Confident83.7Confident16 Ų1680.7 Ų80.79%0.08641%0.413CS..Hα-helixtrans-61.5-38.4177.4-80-25.9000113T110 S111 L682 E683 Y684 K690T110-D686 WeakPolarHBondContact CG2-OD2 3.39Å; S111-D686 WeakPolarHBondContact CA-OD1 3.41Å; S111-D686 WeakPolarHBondContact CB-OD1 3.22Å; S111-D686 PolarHBondContact N-OD1 2.92Å; S111-D686 PolarHBondContact OG-OD1 3.13Å; S111-D686 PolarHBondContact OG-OD2 3.28Å; L682-D686 WeakPolarHBondContact O-CB 3.32Å; L682-D686 PolarHBondContact O-N 3.28Å; E683-D686 PolarHBondContact O-N 3.47Å; Y684-D686 VanDerWaalsContact C-N 3.34Å; Y684-D686 PolarHBondContact O-N 3.46Å; D686-K690 WeakPolarHBondContact O-CB 3.36Å; D686-K690 WeakPolarHBondContact O-CD 3.37Å; D686-K690 WeakPolarHBondContact O-CG 3.24Å; D686-K690 PolarHBondContact O-N 3.4Å
687R86.2Confident84.6Confident142 Ų14279.6 Ų79.654%0.53640%0.403SS..Hα-helixtrans-66.6-42.8174.7-72.8172.1-172.8-173.76.8110.8E683 Y684 K685 K690 M691E683-R687 VanDerWaalsContact O-CG 3.26Å; E683-R687 WeakPolarHBondContact O-CG 3.49Å; E683-R687 PolarHBondContact O-N 2.82Å; E683-R687 IonicContact OE1-CZ 3.34Å; E683-R687 IonicContact OE1-NE 3.24Å; E683-R687 PolarHBondContact OE1-NE 2.95Å; E683-R687 IonicContact OE1-NH2 3.77Å; E683-R687 PolarHBondContact OE1-NH2 3.02Å; E683-R687 IonicContact OE2-NH2 2.86Å; Y684-R687 PolarHBondContact O-N 2.84Å; K685-R687 VanDerWaalsContact C-N 3.32Å; K685-R687 PolarHBondContact O-N 2.78Å; R687-K690 PolarHBondContact O-N 3.39Å; R687-M691 WeakPolarHBondContact O-CG 3.37Å; R687-M691 PolarHBondContact O-N 3.39Å
688G88.5Confident85.2Confident32 Ų3280.3 Ų80.333%0.3340%0.395SS..Hα-helixtrans-57.5-53.3174.600000112.3Y684 K685 K690 M691 V692Y684-G688 PolarHBondContact O-N 2.99Å; K685-G688 PolarHBondContact O-N 3.13Å; K685-G688 VanDerWaalsContact O-N 3.15Å; G688-K690 VanDerWaalsContact C-N 3.3Å; G688-K690 PolarHBondContact O-N 3.05Å; G688-M691 WeakPolarHBondContact O-CB 3.3Å; G688-M691 PolarHBondContact O-N 3.45Å; G688-M691 VanDerWaalsContact O-N 3.11Å; G688-V692 WeakPolarHBondContact O-CG2 3.4Å; G688-V692 PolarHBondContact O-N 3.36Å
689D85.2Confident86Confident55 Ų5578 Ų7829%0.29439%0.386SS..Hα-helixtrans-60.6-38.1178.9-79.11000112.2R114 K685 N693R114-D689 IonicContact CZ-OD2 3.17Å; R114-D689 IonicContact NH1-OD2 3.56Å; R114-D689 IonicContact NH2-OD2 2.77Å; R114-D689 PolarHBondContact NH2-OD2 2.83Å; K685-D689 PolarHBondContact O-N 3.15Å; D689-N693 WeakPolarHBondContact O-CB 3.41Å; D689-N693 PolarHBondContact O-N 2.91Å; D689-N693 PolarHBondContact O-ND2 3.32Å
690K87.2Confident86.6Confident85 Ų8576.5 Ų76.537%0.3738%0.378SS..Hα-helixtrans-65.2-43.6174.5-77.2168.8-175.6165.60111.8D686 R687 G688 N693 V694D686-K690 WeakPolarHBondContact O-CB 3.36Å; D686-K690 WeakPolarHBondContact O-CD 3.37Å; D686-K690 WeakPolarHBondContact O-CG 3.24Å; D686-K690 PolarHBondContact O-N 3.4Å; R687-K690 PolarHBondContact O-N 3.39Å; G688-K690 VanDerWaalsContact C-N 3.3Å; G688-K690 PolarHBondContact O-N 3.05Å; K690-N693 PolarHBondContact O-N 2.83Å; K690-V694 WeakPolarHBondContact O-CB 3.43Å; K690-V694 VanDerWaalsContact O-CG2 3.26Å; K690-V694 WeakPolarHBondContact O-CG2 3.11Å; K690-V694 PolarHBondContact O-N 3.18Å
691M89.3Confident87Confident139 Ų13977 Ų7769%0.68537%0.372SS*.Hα-helixtrans-60.9-45.3177-73.4-178.6-174.400111.5R687 G688 V694 H695R687-M691 WeakPolarHBondContact O-CG 3.37Å; R687-M691 PolarHBondContact O-N 3.39Å; G688-M691 WeakPolarHBondContact O-CB 3.3Å; G688-M691 PolarHBondContact O-N 3.45Å; G688-M691 VanDerWaalsContact O-N 3.11Å; M691-V694 PolarHBondContact O-N 3.43Å; M691-H695 PolarHBondContact O-N 2.93Å
692V88.6Confident87.2Confident72 Ų7276.5 Ų76.544%0.43637%0.369SS..Hα-helixtrans-61.7-45.3177.1172.10000111.2G688 V694 H695 Y696G688-V692 WeakPolarHBondContact O-CG2 3.4Å; G688-V692 PolarHBondContact O-N 3.36Å; V692-V694 PolarHBondContact O-N 2.9Å; V692-H695 WeakPolarHBondContact O-CB 3.31Å; V692-H695 PolarHBondContact O-N 3.22Å; V692-Y696 HydrophobicContact CG1-CD2 3.8Å; V692-Y696 HydrophobicContact CG1-CE2 3.38Å; V692-Y696 WeakPolarHBondContact O-CD2 3.28Å; V692-Y696 PolarHBondContact O-N 2.89Å
693N87.4Confident87.4Confident22 Ų2275.3 Ų75.312%0.11836%0.363CS..Hα-helixtrans-65.8-37.1176.7-77.4-51.4000112.8L107 D689 K690 Y696 I697L107-N693 HydrophobicContact CD2-CB 3.59Å; L107-N693 HydrophobicContact CG-CB 4.32Å; D689-N693 WeakPolarHBondContact O-CB 3.41Å; D689-N693 PolarHBondContact O-N 2.91Å; D689-N693 PolarHBondContact O-ND2 3.32Å; K690-N693 PolarHBondContact O-N 2.83Å; N693-Y696 PolarHBondContact O-N 2.82Å; N693-I697 WeakPolarHBondContact O-CD1 3.31Å; N693-I697 VanDerWaalsContact O-CG1 3.24Å; N693-I697 WeakPolarHBondContact O-CG1 3.28Å; N693-I697 PolarHBondContact O-N 3.21Å
694V90.3Very high87.5Confident66 Ų6671 Ų7140%0.434%0.343SS..Hα-helixtrans-62.9-42.4172.71700000110.7L107 K690 M691 V692 Y696 I697 L698L107-V694 HydrophobicContact CD1-CG2 4.45Å; L107-V694 HydrophobicContact CD2-CG2 3.85Å; K690-V694 WeakPolarHBondContact O-CB 3.43Å; K690-V694 VanDerWaalsContact O-CG2 3.26Å; K690-V694 WeakPolarHBondContact O-CG2 3.11Å; K690-V694 PolarHBondContact O-N 3.18Å; M691-V694 PolarHBondContact O-N 3.43Å; V692-V694 PolarHBondContact O-N 2.9Å; V694-Y696 PolarHBondContact O-N 2.82Å; V694-I697 PolarHBondContact O-N 3.18Å; V694-L698 HydrophobicContact CG1-CD1 4.06Å; V694-L698 HydrophobicContact CG1-CG 4.4Å; V694-L698 WeakPolarHBondContact O-CG 3.28Å; V694-L698 PolarHBondContact O-N 3.06Å
695H91.5Very high87.5Confident116 Ų11667.2 Ų67.254%0.53733%0.334SS..Hα-helixtrans-57.8-48.4174.2171.879.6000111.6M691 V692 I697 L698 N699M691-H695 PolarHBondContact O-N 2.93Å; V692-H695 WeakPolarHBondContact O-CB 3.31Å; V692-H695 PolarHBondContact O-N 3.22Å; H695-I697 VanDerWaalsContact C-N 3.34Å; H695-I697 PolarHBondContact O-N 2.8Å; H695-L698 PolarHBondContact O-N 3.21Å; H695-N699 WeakPolarHBondContact O-CB 3.2Å; H695-N699 PolarHBondContact O-N 3.11Å
696Y89Confident87.3Confident93 Ų9367 Ų6737%0.36533%0.33SS..Hα-helixtrans-60.8-40.8175.8-75.2-58.5000113V692 N693 V694 N699 I700V692-Y696 HydrophobicContact CG1-CD2 3.8Å; V692-Y696 HydrophobicContact CG1-CE2 3.38Å; V692-Y696 WeakPolarHBondContact O-CD2 3.28Å; V692-Y696 PolarHBondContact O-N 2.89Å; N693-Y696 PolarHBondContact O-N 2.82Å; V694-Y696 PolarHBondContact O-N 2.82Å; Y696-N699 PolarHBondContact O-N 2.62Å; Y696-I700 WeakPolarHBondContact O-CB 3.36Å; Y696-I700 WeakPolarHBondContact O-CD1 2.92Å; Y696-I700 VanDerWaalsContact O-CG1 3.23Å; Y696-I700 WeakPolarHBondContact O-CG1 2.92Å; Y696-I700 PolarHBondContact O-N 3.27Å
697I89.5Confident86.9Confident13 Ų1367.8 Ų67.87%0.06733%0.333CS..Hα-helixtrans-62.4-46.8177.3-72.4162.8000110.5L100 K103 R104 L107 N693 V694 H695 N699 I700 Q701L100-I697 HydrophobicContact CD1-CG2 3.96Å; K103-I697 HydrophobicContact CB-CD1 4.4Å; K103-I697 HydrophobicContact CB-CG1 3.78Å; R104-I697 HydrophobicContact CG-CD1 3.96Å; R104-I697 HydrophobicContact CG-CG1 4.34Å; L107-I697 HydrophobicContact CD1-CD1 3.29Å; L107-I697 HydrophobicContact CD2-CD1 4.34Å; L107-I697 HydrophobicContact CG-CD1 3.72Å; N693-I697 WeakPolarHBondContact O-CD1 3.31Å; N693-I697 VanDerWaalsContact O-CG1 3.24Å; N693-I697 WeakPolarHBondContact O-CG1 3.28Å; N693-I697 PolarHBondContact O-N 3.21Å; V694-I697 PolarHBondContact O-N 3.18Å; H695-I697 VanDerWaalsContact C-N 3.34Å; H695-I697 PolarHBondContact O-N 2.8Å; I697-N699 VanDerWaalsContact C-N 3.33Å; I697-N699 PolarHBondContact O-N 3.48Å; I697-I700 PolarHBondContact O-N 3.02Å; I697-Q701 HydrophobicContact CG2-CG 4.37Å; I697-Q701 WeakPolarHBondContact O-CB 3.41Å; I697-Q701 VanDerWaalsContact O-CG 3.25Å; I697-Q701 WeakPolarHBondContact O-CG 3.46Å; I697-Q701 PolarHBondContact O-N 3.04Å
698L90.8Very high86.5Confident102 Ų10267.2 Ų67.253%0.53434%0.335SS..Hα-helixtrans-61.4-42.8177.8-72172.5000111.2V694 H695 Q701 L702V694-L698 HydrophobicContact CG1-CD1 4.06Å; V694-L698 HydrophobicContact CG1-CG 4.4Å; V694-L698 WeakPolarHBondContact O-CG 3.28Å; V694-L698 PolarHBondContact O-N 3.06Å; H695-L698 PolarHBondContact O-N 3.21Å; L698-Q701 PolarHBondContact O-N 2.87Å; L698-L702 WeakPolarHBondContact O-CB 3.27Å; L698-L702 PolarHBondContact O-N 3.46Å
699N90Very high86.1Confident62 Ų6271.5 Ų71.533%0.33235%0.35SS..Hα-helixtrans-63.8-45.4177.6-166.47.2000111.9H695 Y696 I697 Q701 L702 T703H695-N699 WeakPolarHBondContact O-CB 3.2Å; H695-N699 PolarHBondContact O-N 3.11Å; Y696-N699 PolarHBondContact O-N 2.62Å; I697-N699 VanDerWaalsContact C-N 3.33Å; I697-N699 PolarHBondContact O-N 3.48Å; N699-Q701 VanDerWaalsContact C-N 3.32Å; N699-Q701 PolarHBondContact O-N 2.79Å; N699-L702 PolarHBondContact O-N 3.49Å; N699-T703 WeakPolarHBondContact O-CG2 3.24Å; N699-T703 PolarHBondContact O-N 3.38Å; N699-T703 PolarHBondContact O-OG1 3.39Å
700I86.6Confident85.4Confident11 Ų1174.8 Ų74.86%0.05636%0.362CS..Hα-helixtrans-64.2-36.6175.6-64.9163.8000111.6L96 R99 L100 K103 Y696 I697 T703 L704L96-I700 HydrophobicContact CD2-CG2 4.4Å; R99-I700 HydrophobicContact CB-CD1 4.36Å; R99-I700 HydrophobicContact CG-CD1 3.84Å; L100-I700 HydrophobicContact CB-CG2 3.9Å; L100-I700 HydrophobicContact CD1-CB 4.32Å; L100-I700 HydrophobicContact CD1-CG2 4.05Å; K103-I700 HydrophobicContact CG-CD1 4.06Å; Y696-I700 WeakPolarHBondContact O-CB 3.36Å; Y696-I700 WeakPolarHBondContact O-CD1 2.92Å; Y696-I700 VanDerWaalsContact O-CG1 3.23Å; Y696-I700 WeakPolarHBondContact O-CG1 2.92Å; Y696-I700 PolarHBondContact O-N 3.27Å; I697-I700 PolarHBondContact O-N 3.02Å; I700-T703 WeakPolarHBondContact CA-OG1 3.31Å; I700-T703 PolarHBondContact O-OG1 3.44Å; I700-L704 HydrophobicContact CG2-CD1 4.2Å; I700-L704 WeakPolarHBondContact O-CB 3.21Å; I700-L704 WeakPolarHBondContact O-CG 3.07Å; I700-L704 PolarHBondContact O-N 3.15Å
701Q88.7Confident84.4Confident61 Ų6175.8 Ų75.829%0.28537%0.371SS..Hα-helixtrans-67.6-41.3175.3-75.4-179.2-49.500111.6L100 I697 L698 N699 L704 I705L100-Q701 HydrophobicContact CD1-CG 3.75Å; L100-Q701 HydrophobicContact CD2-CG 4.5Å; I697-Q701 HydrophobicContact CG2-CG 4.37Å; I697-Q701 WeakPolarHBondContact O-CB 3.41Å; I697-Q701 VanDerWaalsContact O-CG 3.25Å; I697-Q701 WeakPolarHBondContact O-CG 3.46Å; I697-Q701 PolarHBondContact O-N 3.04Å; L698-Q701 PolarHBondContact O-N 2.87Å; N699-Q701 VanDerWaalsContact C-N 3.32Å; N699-Q701 PolarHBondContact O-N 2.79Å; Q701-L704 PolarHBondContact O-N 2.97Å; Q701-I705 WeakPolarHBondContact O-CB 3.3Å; Q701-I705 WeakPolarHBondContact O-CD1 3.29Å; Q701-I705 WeakPolarHBondContact O-CG1 3.46Å; Q701-I705 PolarHBondContact O-N 3.45Å
702L87.3Confident82.9Confident83 Ų8374.6 Ų74.644%0.43536%0.364SS..Hα-helixtrans-66.7-38.8178.1-168130.6000111.4L698 N699 I705 R706L698-L702 WeakPolarHBondContact O-CB 3.27Å; L698-L702 PolarHBondContact O-N 3.46Å; N699-L702 PolarHBondContact O-N 3.49Å; L702-I705 PolarHBondContact O-N 3.41Å; L702-R706 WeakPolarHBondContact O-CB 3.46Å; L702-R706 WeakPolarHBondContact O-CG 2.99Å; L702-R706 PolarHBondContact O-N 2.93Å
703T83.4Confident81.2Confident9 Ų977.2 Ų77.26%0.05537%0.367CS..Hα-helixtrans-68.1-4117454.60000112.2N699 I700 R706 M707 W716N699-T703 WeakPolarHBondContact O-CG2 3.24Å; N699-T703 PolarHBondContact O-N 3.38Å; N699-T703 PolarHBondContact O-OG1 3.39Å; I700-T703 WeakPolarHBondContact CA-OG1 3.31Å; I700-T703 PolarHBondContact O-OG1 3.44Å; T703-R706 PolarHBondContact O-N 3.15Å; T703-M707 WeakPolarHBondContact O-CG 3.48Å; T703-M707 PolarHBondContact O-N 3.06Å; T703-W716 HydrophobicContact CG2-CZ2 4.11Å
704L84.1Confident79.8Confident12 Ų1278.4 Ų78.46%0.06338%0.375CS..Hα-helixtrans-60.5-43.8171.4-82.2168.4000111.7L96 L100 I700 Q701 M707 F708L96-L704 HydrophobicContact CB-CD2 3.91Å; L96-L704 HydrophobicContact CB-CG 4.13Å; L96-L704 HydrophobicContact CD1-CD2 4.29Å; L96-L704 HydrophobicContact CD1-CG 4.47Å; L100-L704 HydrophobicContact CD2-CD1 4.16Å; I700-L704 HydrophobicContact CG2-CD1 4.2Å; I700-L704 WeakPolarHBondContact O-CB 3.21Å; I700-L704 WeakPolarHBondContact O-CG 3.07Å; I700-L704 PolarHBondContact O-N 3.15Å; Q701-L704 PolarHBondContact O-N 2.97Å; L704-M707 PolarHBondContact O-N 3.24Å; L704-F708 HydrophobicContact CB-CD2 4.44Å; L704-F708 HydrophobicContact CB-CE2 4.28Å; L704-F708 HydrophobicContact CD2-CE2 4.27Å; L704-F708 WeakPolarHBondContact O-CB 3.48Å; L704-F708 WeakPolarHBondContact O-CD2 3.1Å; L704-F708 WeakPolarHBondContact O-CG 3.04Å; L704-F708 PolarHBondContact O-N 3.07Å
705I85.2Confident77.9Confident100 Ų10083.2 Ų83.251%0.51339%0.393SS..Hα-helixtrans-63.9-42.9177.1-70.6164.3000110.7Q701 L702 M707 F708 L709Q701-I705 WeakPolarHBondContact O-CB 3.3Å; Q701-I705 WeakPolarHBondContact O-CD1 3.29Å; Q701-I705 WeakPolarHBondContact O-CG1 3.46Å; Q701-I705 PolarHBondContact O-N 3.45Å; L702-I705 PolarHBondContact O-N 3.41Å; I705-M707 PolarHBondContact O-N 3Å; I705-F708 PolarHBondContact O-N 3.4Å; I705-F708 VanDerWaalsContact O-N 3.14Å; I705-L709 VanDerWaalsContact O-CB 3.29Å; I705-L709 WeakPolarHBondContact O-CB 3.42Å; I705-L709 PolarHBondContact O-N 3.21Å
706R79.9Confident75.9Confident117 Ų11782 Ų8244%0.44238%0.384SS..Hα-helixtrans-59.9-45.1175.1-77.3-177.5-177.71791.1111.8L702 T703 F708 L709 F710L702-R706 WeakPolarHBondContact O-CB 3.46Å; L702-R706 WeakPolarHBondContact O-CG 2.99Å; L702-R706 PolarHBondContact O-N 2.93Å; T703-R706 PolarHBondContact O-N 3.15Å; R706-F708 VanDerWaalsContact C-N 3.3Å; R706-F708 PolarHBondContact O-N 2.92Å; R706-L709 PolarHBondContact O-N 3.42Å; R706-F710 HydrophobicContact CG-CD2 4.42Å; R706-F710 PolarHBondContact O-N 2.79Å
707M75.2Confident73.5Confident31 Ų3181.8 Ų81.815%0.15339%0.394CS..Hα-helixtrans-63-34.4174.6-71.7178174.300112.7R92 R93 L96 T703 L704 I705R92-M707 HydrophobicContact CG-CE 4.36Å; R93-M707 HydrophobicContact CG-SD 4.49Å; L96-M707 HydrophobicContact CD1-CE 3.66Å; L96-M707 HydrophobicContact CD1-SD 3.44Å; L96-M707 WeakPolarHBondContact CD1-SD 3.13Å; T703-M707 WeakPolarHBondContact O-CG 3.48Å; T703-M707 PolarHBondContact O-N 3.06Å; L704-M707 PolarHBondContact O-N 3.24Å; I705-M707 PolarHBondContact O-N 3Å
708F79Confident71.1Confident131 Ų13188.5 Ų88.558%0.57543%0.425SS*.Hα-helixtrans-77.4-32.1177.4-76-54.2000113.9L704 I705 R706L704-F708 HydrophobicContact CB-CD2 4.44Å; L704-F708 HydrophobicContact CB-CE2 4.28Å; L704-F708 HydrophobicContact CD2-CE2 4.27Å; L704-F708 WeakPolarHBondContact O-CB 3.48Å; L704-F708 WeakPolarHBondContact O-CD2 3.1Å; L704-F708 WeakPolarHBondContact O-CG 3.04Å; L704-F708 PolarHBondContact O-N 3.07Å; I705-F708 PolarHBondContact O-N 3.4Å; I705-F708 VanDerWaalsContact O-N 3.14Å; R706-F708 VanDerWaalsContact C-N 3.3Å; R706-F708 PolarHBondContact O-N 2.92Å
709L79.5Confident68.7Low122 Ų12291.3 Ų91.364%0.63944%0.435SS*.Hα-helixtrans-97.6-34.5-171.3-156.8114.7000113.2I705 R706I705-L709 VanDerWaalsContact O-CB 3.29Å; I705-L709 WeakPolarHBondContact O-CB 3.42Å; I705-L709 PolarHBondContact O-N 3.21Å; R706-L709 PolarHBondContact O-N 3.42Å
710F71.7Confident66.5Low124 Ų12494.5 Ų94.554%0.54445%0.448SS..Hα-helixtrans-117.7-7.5-171.9-59.5-72.7000114.2R706 E712R706-F710 HydrophobicContact CG-CD2 4.42Å; R706-F710 PolarHBondContact O-N 2.79Å; F710-E712 HydrophobicContact CB-CB 4.21Å; F710-E712 HydrophobicContact CB-CG 3.94Å; F710-E712 PolarHBondContact O-N 3.26Å
711D65Low64.4Low105 Ų105101.9 Ų101.956%0.56148%0.482SS*.  trans50.320.4-172.7-15620.8000114.1K89K89-D711 IonicContact NZ-OD1 2.77Å; K89-D711 PolarHBondContact NZ-OD1 3.43Å; K89-D711 IonicContact NZ-OD2 2.85Å; K89-D711 PolarHBondContact NZ-OD2 3.06Å
712E57.8Low61.7Low115 Ų115107.6 Ų107.654%0.53751%0.506SS..  trans-78.8128.1-175.8-84.4179.2167.900111.7F710 V714F710-E712 HydrophobicContact CB-CB 4.21Å; F710-E712 HydrophobicContact CB-CG 3.94Å; F710-E712 PolarHBondContact O-N 3.26Å; E712-V714 PolarHBondContact O-N 2.74Å
713Y53.9Low58.9Low127 Ų127111.4 Ų111.450%0.49852%0.522SS..  trans-79.8104.3172.8-155.4-99.9000109.4R92 E715R92-Y713 VanDerWaalsContact NH1-CE1 3.29Å; R92-Y713 PolarHBondContact NH1-OH 2.9Å; Y713-E715 HydrophobicContact CD1-CG 4.21Å; Y713-E715 PolarHBondContact O-N 3.44Å
714V56.4Low56.4Low46 Ų46116.1 Ų116.128%0.27955%0.553SS.*  trans-77107.9167.3-178.40000107.5R92 E712 W716R92-V714 PolarHBondContact NH2-O 3.38Å; E712-V714 PolarHBondContact O-N 2.74Å; V714-W716 VanDerWaalsContact O-CD1 3.28Å; V714-W716 PolarHBondContact O-N 3.44Å
715E50.7Low54Low168 Ų168124.4 Ų124.479%0.78559%0.591SS**PPolyproline II helixtrans-63.5121.8164-74-175.816400108.5Y713Y713-E715 HydrophobicContact CD1-CG 4.21Å; Y713-E715 PolarHBondContact O-N 3.44Å
716W49.5Very low51.4Low91 Ų91124 Ų12435%0.34560%0.603SS.*PPolyproline II helixtrans-92.5140.8172.5-74.363000108.1T703 V714 Q718T703-W716 HydrophobicContact CG2-CZ2 4.11Å; V714-W716 VanDerWaalsContact O-CD1 3.28Å; V714-W716 PolarHBondContact O-N 3.44Å; W716-Q718 PolarHBondContact O-N 3.07Å
717P40.1Very low49.1Very low88 Ų88127.3 Ų127.357%0.57162%0.623SS**PPolyproline II helixtrans-54.1126.5168.8-20.630.8000109.4E719 Q720P717-E719 PolarHBondContact O-N 3.17Å; P717-Q720 PolarHBondContact O-N 3.18Å
718Q38.4Very low47.3Very low153 Ų153133 Ų13372%0.71565%0.654SS**G310 helixtrans-57.6-9.6-179.3-72.9179.1-14.100113.6W716 Q720 Q721W716-Q718 PolarHBondContact O-N 3.07Å; Q718-Q720 PolarHBondContact O-N 3Å; Q718-Q721 PolarHBondContact O-N 2.99Å
719E40.3Very low45.2Very low162 Ų162132.1 Ų132.176%0.75766%0.662SS**G310 helixtrans-67.9-26.1179.3-70.6-177.7153.100114.2P717P717-E719 PolarHBondContact O-N 3.17Å
720Q44.2Very low43.2Very low128 Ų128131 Ų13160%0.59866%0.657SS**G310 helixtrans-83.8-9.5177.7-72.8-175.8-0.500114.2P717 Q718P717-Q720 PolarHBondContact O-N 3.18Å; Q718-Q720 PolarHBondContact O-N 3Å
721Q41.5Very low42Very low166 Ų166131.1 Ų131.178%0.77667%0.67SS**G310 helixtrans-94.2-9179.5-80.9176.4-20.700113.7Q718Q718-Q721 PolarHBondContact O-N 2.99Å
722K33Very low41.1Very low181 Ų181130 Ų13079%0.78766%0.664SS**SBendtrans-107.71-176.9-85-175.5178.1177.20115.6P724K722-P724 VanDerWaalsContact O-CD 3.23Å; K722-P724 WeakPolarHBondContact O-CD 3.24Å
723Q27.9Very low40.2Very low163 Ų163129.2 Ų129.276%0.76266%0.663SS**  trans-94.5106.4168.6-77.1176.8-8.500108.5E725Q723-E725 PolarHBondContact O-N 3.37Å
724P30.2Very low40.1Very low109 Ų109124.9 Ų124.971%0.70866%0.656SS**  trans-53.8136.6151.29.7-0.1000105.4K722 A726K722-P724 VanDerWaalsContact O-CD 3.23Å; K722-P724 WeakPolarHBondContact O-CD 3.24Å; P724-A726 VanDerWaalsContact C-N 3.34Å; P724-A726 PolarHBondContact O-N 2.94Å
725E35.3Very low40Very low186 Ų186129.4 Ų129.487%0.86969%0.687SS**  trans-44.2108.1168.2-77.2178.1155.300106.5Q723 Q727Q723-E725 PolarHBondContact O-N 3.37Å; E725-Q727 PolarHBondContact O-N 3.06Å
726A30.9Very low40.2Very low92 Ų92128.4 Ų128.476%0.7669%0.686SS**  trans-55.6115.6178.200000104.5P724 D728P724-A726 VanDerWaalsContact C-N 3.34Å; P724-A726 PolarHBondContact O-N 2.94Å; A726-D728 PolarHBondContact O-N 3.14Å
727Q31.2Very low40.2Very low186 Ų186126.5 Ų126.587%0.86970%0.696SS**  trans-46.8119.4166.5-78.8169-3400105.5E725 P729E725-Q727 PolarHBondContact O-N 3.06Å; Q727-P729 VanDerWaalsContact O-N 3.13Å
728D37.5Very low40.4Very low150 Ų150125.7 Ų125.780%0.80269%0.692SS**  trans-44126.7170.3-84.4-37.8000106.5A726 D730A726-D728 PolarHBondContact O-N 3.14Å; D728-D730 PolarHBondContact O-N 3.05Å
729P34.2Very low40.7Very low113 Ų113122.2 Ų122.273%0.73468%0.682SS**  trans-56.3120.6-178.822.5-30.4000106.8Q727 P731Q727-P729 VanDerWaalsContact O-N 3.13Å; P729-P731 VanDerWaalsContact O-N 3.14Å
730D38.2Very low40.7Very low99 Ų99117.6 Ų117.653%0.52967%0.667SS.*  trans-48.7123.5177.7-156.30.1000106.9D728 N732 L733D728-D730 PolarHBondContact O-N 3.05Å; D730-N732 PolarHBondContact O-N 3.47Å; D730-L733 HydrophobicContact CB-CD1 4.13Å; D730-L733 PolarHBondContact O-N 3.26Å; D730-L733 VanDerWaalsContact O-N 3.13Å
731P45.5Very low40.9Very low126 Ų126120.5 Ų120.582%0.81868%0.68SS**THydrogen-bonded Turntrans-61.93.4-172.9-20.630.7000114.4P729P729-P731 VanDerWaalsContact O-N 3.14Å
732N45.5Very low41.1Very low82 Ų82119.9 Ų119.944%0.43968%0.682SS.*THydrogen-bonded Turntrans-104.83.7-178.1-74.7-28.7000113.9D730 P740D730-N732 PolarHBondContact O-N 3.47Å; N732-P740 WeakPolarHBondContact O-CD 3.35Å; N732-P740 WeakPolarHBondContact O-CG 2.83Å
733L40.2Very low41.4Very low98 Ų98117.4 Ų117.451%0.51367%0.671SS.*  trans-103.7121.8174.7-89.7121.7000111.8D730 G737D730-L733 HydrophobicContact CB-CD1 4.13Å; D730-L733 PolarHBondContact O-N 3.26Å; D730-L733 VanDerWaalsContact O-N 3.13Å; L733-G737 WeakPolarHBondContact CD2-O 3.38Å
734G52.2Low41.8Very low35 Ų35118.9 Ų118.936%0.36167%0.67SS.*  trans-68.5168.5173.600000112.7D736 G737G734-D736 PolarHBondContact O-N 3.28Å; G734-G737 PolarHBondContact O-N 3.05Å
735P53Low42.2Very low142 Ų142122.1 Ų122.192%0.92268%0.676SS**THydrogen-bonded Turntrans-58.1-14.4-176.321.1-31.3000114.9
736D55.7Low42.4Very low146 Ų146119.7 Ų119.778%0.78167%0.669SS**THydrogen-bonded Turntrans-102.19.2178-69.8-18.5000114.5G734 S738G734-D736 PolarHBondContact O-N 3.28Å; D736-S738 PolarHBondContact O-N 3.21Å; D736-S738 VanDerWaalsContact O-N 3.17Å
737G50Low42.9Very low52 Ų52122.9 Ų122.954%0.53667%0.668SS.*SBendtrans69.711.9176.800000115L733 G734L733-G737 WeakPolarHBondContact CD2-O 3.38Å; G734-G737 PolarHBondContact O-N 3.05Å
738S43.9Very low43.3Very low71 Ų71118.2 Ų118.250%0.49766%0.661SS.*PPolyproline II helixtrans-90.8133.6174.648.20000111.1D736D736-S738 PolarHBondContact O-N 3.21Å; D736-S738 VanDerWaalsContact O-N 3.17Å
739P44.1Very low43.2Very low79 Ų79119.9 Ų119.951%0.51366%0.664SS.*PPolyproline II helixtrans-68.1145.9173.726.8-31.3000110.1Q741P739-Q741 PolarHBondContact O-N 3.26Å
740P41.4Very low43.2Very low66 Ų66121.8 Ų121.843%0.42969%0.69SS.*PPolyproline II helixtrans-65.9123.6-178.4-9.426.6000108.2N732 D742N732-P740 WeakPolarHBondContact O-CD 3.35Å; N732-P740 WeakPolarHBondContact O-CG 2.83Å; P740-D742 PolarHBondContact O-N 2.83Å
741Q48.2Very low43.5Very low188 Ų188123 Ų12388%0.87970%0.698SS**THydrogen-bonded Turntrans-68.83.7-178.8-87.4178.3-30.400114.2P739P739-Q741 PolarHBondContact O-N 3.26Å
742D44.3Very low43.4Very low154 Ų154122.8 Ų122.882%0.82469%0.692SS**THydrogen-bonded Turntrans-119.314.7-163-134.29.1000115.5P740P740-D742 PolarHBondContact O-N 2.83Å
743K40Very low43.3Very low128 Ų128125.1 Ų125.156%0.55771%0.706SS**SBendtrans-128.310.8-179.7-75.1-171.7178.8177.30115.7Q745K743-Q745 VanDerWaalsContact C-N 3.32Å; K743-Q745 PolarHBondContact O-N 3.36Å
744R35.3Very low43.5Very low195 Ų195126.6 Ų126.674%0.73672%0.717SS**SBendtrans-85.24-175.6-117-175-81.2-169-4.3115
745Q38.7Very low42.9Very low177 Ų177132.4 Ų132.483%0.82774%0.739SS**SBendtrans-105.2-19179.3-81.1176.8-3100114.6K743K743-Q745 VanDerWaalsContact C-N 3.32Å; K743-Q745 PolarHBondContact O-N 3.36Å
746D41Very low42.2Very low134 Ų134131.7 Ų131.772%0.71773%0.727SS**SBendtrans-98.4-12.2-174.8-62.9-21.9000114.3
747E40.7Very low41.3Very low159 Ų159130.7 Ų130.774%0.74372%0.723SS**THydrogen-bonded Turntrans-90.6-0.4-177.2-67.3-172.5156.100113.9
748A38.9Very low40.6Very low89 Ų89136.8 Ų136.874%0.73674%0.737SS**THydrogen-bonded Turntrans-92.1-4.6177.100000114.1
749E36Very low40.3Very low184 Ų184142.3 Ų142.386%0.8676%0.758SS**  trans-117.15.7-173.2-67.2-167.4158.100115.6
750A35.5Very low40Very low154 Ų154148 Ų148100%1.27378%0.78SS**  trans-1140176.500000112.3

Retrieved 750 of 750 residues in 251.2 ms (Link to these results)

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