A0A3Q0KBH8_SCHMA Loading...

MFS_1_like domain-containing protein

AlphaFold DB (A0A5K4E8E8), UniProt , Accession A0A3Q0KBH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.6Very low53.9Low231 Ų231121.4 Ų121.4100%1.13864%0.636SS**  085.80-163.5164.7160.200107.5L3M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.12Å
2N32.1Very low56.6Low129 Ų129117.5 Ų117.569%0.6962%0.615SS**  trans-77.597.8-169.1-78-4.1000111T4 K5N2-T4 PolarHBondContact O-N 2.82Å; N2-K5 PolarHBondContact O-N 3.12Å
3L41.6Very low58.9Low167 Ų167109.3 Ų109.387%0.87458%0.575SS**THydrogen-bonded Turntrans-57.3-6.6174.1-98144.4000114.5M1M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.12Å
4T41.2Very low61Low108 Ų108101.6 Ų101.666%0.66353%0.534SS*.THydrogen-bonded Turntrans-92.5-13.2-178.650.80000114.8N2 G6N2-T4 PolarHBondContact O-N 2.82Å; T4-G6 VanDerWaalsContact C-N 3.26Å; T4-G6 PolarHBondContact O-N 3.07Å
5K39.1Very low62.9Low195 Ų19599.5 Ų99.585%0.84852%0.519SS*.THydrogen-bonded Turntrans-77.94.8-174.6-104.7-171.3178.6-174.90116N2N2-K5 PolarHBondContact O-N 3.12Å
6G52.5Low64.7Low72 Ų7297.8 Ų97.874%0.74251%0.51SS*.THydrogen-bonded Turntrans-128.2-1.4-178.900000116.1T4 N8T4-G6 VanDerWaalsContact C-N 3.26Å; T4-G6 PolarHBondContact O-N 3.07Å; G6-N8 PolarHBondContact O-N 3.03Å; G6-N8 VanDerWaalsContact O-N 3.17Å
7I54.1Low66.3Low101 Ų10192 Ų9252%0.51848%0.48SS..  trans-80.5105.1-178.5-58.8170.9000108.2K9 I12I7-K9 PolarHBondContact O-N 3.03Å; I7-I12 HydrophobicContact CG2-CD1 3.76Å; I7-I12 HydrophobicContact CG2-CG1 3.91Å
8N66.3Low67.7Low69 Ų6986.9 Ų86.937%0.36945%0.453SS..  trans-62.6100.1168.9-172.7-11.1000108.3G6 K10 L11 I261G6-N8 PolarHBondContact O-N 3.03Å; G6-N8 VanDerWaalsContact O-N 3.17Å; N8-K10 PolarHBondContact O-N 3.17Å; N8-K10 VanDerWaalsContact O-N 3.11Å; N8-K10 WeakPolarHBondContact OD1-CB 2.9Å; N8-K10 PolarHBondContact OD1-N 2.91Å; N8-L11 HydrophobicContact CB-CB 4.26Å; N8-L11 WeakPolarHBondContact O-CB 3.2Å; N8-L11 PolarHBondContact O-N 3.29Å; N8-I261 WeakPolarHBondContact ND2-CG2 3.48Å
9K73.4Confident69.2Low178 Ų17885.2 Ų85.277%0.77444%0.442SS*.Hα-helixtrans-54.2-31.2-177.7-71.1-174.8178.3-177.70112.2I7 L11 I12I7-K9 PolarHBondContact O-N 3.03Å; K9-L11 PolarHBondContact O-N 3.26Å; K9-I12 WeakPolarHBondContact O-CB 3.4Å; K9-I12 PolarHBondContact O-N 3.26Å
10K74.4Confident70.5Confident70 Ų7081.2 Ų81.230%0.30442%0.421SS..Hα-helixtrans-63.1-30.4176.9-61.1-168.1-178.7-172.70112.8N8 I261 D352N8-K10 PolarHBondContact O-N 3.17Å; N8-K10 VanDerWaalsContact O-N 3.11Å; N8-K10 WeakPolarHBondContact OD1-CB 2.9Å; N8-K10 PolarHBondContact OD1-N 2.91Å; K10-I261 HydrophobicContact CB-CG2 4.34Å; K10-D352 IonicContact NZ-OD1 2.72Å; K10-D352 PolarHBondContact NZ-OD1 2.82Å; K10-D352 IonicContact NZ-OD2 2.63Å; K10-D352 PolarHBondContact NZ-OD2 2.93Å
11L83.3Confident71.6Confident15 Ų1577.5 Ų77.58%0.07940%0.402CS..Hα-helixtrans-81.6-15-177.7-167.363.8000113N8 K9 V14 K15 T258 L262 S273N8-L11 HydrophobicContact CB-CB 4.26Å; N8-L11 WeakPolarHBondContact O-CB 3.2Å; N8-L11 PolarHBondContact O-N 3.29Å; K9-L11 PolarHBondContact O-N 3.26Å; L11-V14 HydrophobicContact CD1-CB 4.3Å; L11-V14 HydrophobicContact CD1-CG1 4.43Å; L11-V14 PolarHBondContact O-N 2.91Å; L11-K15 HydrophobicContact CG-CD 4.21Å; L11-K15 HydrophobicContact CG-CG 4.26Å; L11-K15 VanDerWaalsContact O-CB 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.45Å; L11-K15 VanDerWaalsContact O-CG 3.3Å; L11-K15 WeakPolarHBondContact O-CG 3.18Å; L11-K15 PolarHBondContact O-N 3.4Å; L11-T258 HydrophobicContact CD1-CG2 4.2Å; L11-L262 HydrophobicContact CD2-CD2 4.4Å; L11-S273 WeakPolarHBondContact CD2-OG 3.5Å
12I86.3Confident74.4Confident75 Ų7567.4 Ų67.439%0.38535%0.352SS..Hα-helixtrans-63.2-47.9-179.3-62.3175.4000110.6I7 K9 V14 K15 I16I7-I12 HydrophobicContact CG2-CD1 3.76Å; I7-I12 HydrophobicContact CG2-CG1 3.91Å; K9-I12 WeakPolarHBondContact O-CB 3.4Å; K9-I12 PolarHBondContact O-N 3.26Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.15Å; I12-K15 WeakPolarHBondContact O-CB 3.42Å; I12-K15 PolarHBondContact O-N 3.31Å; I12-I16 HydrophobicContact CG2-CD1 3.92Å; I12-I16 WeakPolarHBondContact O-CG1 3.04Å; I12-I16 PolarHBondContact O-N 2.89Å
13A87Confident77.5Confident11 Ų1161.6 Ų61.69%0.09132%0.321CS..Hα-helixtrans-61.6-42.9179.500000111.8K15 I16 N17 F348A13-K15 VanDerWaalsContact C-N 3.35Å; A13-K15 PolarHBondContact O-N 3.19Å; A13-I16 PolarHBondContact O-N 2.9Å; A13-N17 PolarHBondContact O-N 3.15Å; A13-F348 HydrophobicContact CB-CB 4.21Å
14V87.6Confident80Confident1 Ų153.6 Ų53.61%0.00628%0.279CS..Hα-helixtrans-62.2-42.6176.6179.30000111.4L11 I12 N17 F18 L254 V257 T258 I261L11-V14 HydrophobicContact CD1-CB 4.3Å; L11-V14 HydrophobicContact CD1-CG1 4.43Å; L11-V14 PolarHBondContact O-N 2.91Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.15Å; V14-N17 WeakPolarHBondContact O-CB 3.4Å; V14-N17 PolarHBondContact O-N 3.33Å; V14-F18 HydrophobicContact CG1-CD2 3.99Å; V14-F18 HydrophobicContact CG1-CE2 3.75Å; V14-F18 WeakPolarHBondContact O-CD2 3.45Å; V14-F18 PolarHBondContact O-N 2.95Å; V14-L254 HydrophobicContact CG1-CD2 4.31Å; V14-V257 HydrophobicContact CG2-CG1 3.83Å; V14-T258 VanDerWaalsContact CG1-OG1 3.31Å; V14-T258 WeakPolarHBondContact CG1-OG1 3.31Å; V14-I261 HydrophobicContact CG2-CD1 3.83Å
15K90.2Very high82.5Confident70 Ų7050.4 Ų50.430%0.30426%0.258SS..Hα-helixtrans-61.3-46.8175.3-86.1177.3179.3-174.40112.5L11 I12 A13 N17 F18 F19 L276L11-K15 HydrophobicContact CG-CD 4.21Å; L11-K15 HydrophobicContact CG-CG 4.26Å; L11-K15 VanDerWaalsContact O-CB 3.27Å; L11-K15 WeakPolarHBondContact O-CB 3.45Å; L11-K15 VanDerWaalsContact O-CG 3.3Å; L11-K15 WeakPolarHBondContact O-CG 3.18Å; L11-K15 PolarHBondContact O-N 3.4Å; I12-K15 WeakPolarHBondContact O-CB 3.42Å; I12-K15 PolarHBondContact O-N 3.31Å; A13-K15 VanDerWaalsContact C-N 3.35Å; A13-K15 PolarHBondContact O-N 3.19Å; K15-N17 VanDerWaalsContact C-N 3.26Å; K15-N17 PolarHBondContact O-N 3.49Å; K15-F18 PolarHBondContact O-N 3.01Å; K15-F19 PolarHBondContact O-N 2.68Å; K15-L276 HydrophobicContact CB-CD2 3.5Å; K15-L276 HydrophobicContact CD-CD2 4.42Å; K15-L276 HydrophobicContact CG-CD2 4Å; K15-L276 WeakPolarHBondContact O-CD2 3.37Å
16I91.7Very high85.1Confident72 Ų7241.1 Ų41.137%0.36922%0.218SC..Hα-helixtrans-59.7-42.1174.5-66.8166.8000109.8I12 A13 F19 C20 I341 A345I12-I16 HydrophobicContact CG2-CD1 3.92Å; I12-I16 WeakPolarHBondContact O-CG1 3.04Å; I12-I16 PolarHBondContact O-N 2.89Å; A13-I16 PolarHBondContact O-N 2.9Å; I16-F19 WeakPolarHBondContact O-CB 3.44Å; I16-F19 PolarHBondContact O-N 3.11Å; I16-C20 WeakPolarHBondContact O-CB 3.42Å; I16-C20 PolarHBondContact O-N 2.99Å; I16-C20 PolarHBondContact O-SG 2.88Å; I16-C20 VanDerWaalsContact O-SG 3.36Å; I16-I341 HydrophobicContact CG2-CG2 4.43Å; I16-A345 HydrophobicContact CB-CB 4.17Å; I16-A345 HydrophobicContact CG2-CB 3.68Å
17N91.6Very high87.1Confident0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-61.7-48.8177-137.7-62.2000111.6A13 V14 K15 F19 C20 Q21 L254 G342 S346A13-N17 PolarHBondContact O-N 3.15Å; V14-N17 WeakPolarHBondContact O-CB 3.4Å; V14-N17 PolarHBondContact O-N 3.33Å; K15-N17 VanDerWaalsContact C-N 3.26Å; K15-N17 PolarHBondContact O-N 3.49Å; N17-F19 VanDerWaalsContact C-N 3.3Å; N17-F19 PolarHBondContact O-N 2.79Å; N17-C20 PolarHBondContact O-N 2.88Å; N17-Q21 WeakPolarHBondContact O-CB 3.31Å; N17-Q21 WeakPolarHBondContact O-CG 3.19Å; N17-Q21 PolarHBondContact O-N 2.88Å; N17-Q21 WeakPolarHBondContact OD1-CG 3.17Å; N17-Q21 PolarHBondContact OD1-NE2 2.89Å; N17-L254 HydrophobicContact CB-CD1 4.12Å; N17-L254 HydrophobicContact CB-CD2 3.67Å; N17-G342 PolarHBondContact ND2-O 3.11Å; N17-S346 PolarHBondContact ND2-N 2.95Å
18F91.7Very high89Confident0 Ų033 Ų330%016%0.158CC..Hα-helixtrans-52.5-49.5174.1-85-58.4000112.1V14 K15 C20 F22 L254 D255 T258V14-F18 HydrophobicContact CG1-CD2 3.99Å; V14-F18 HydrophobicContact CG1-CE2 3.75Å; V14-F18 WeakPolarHBondContact O-CD2 3.45Å; V14-F18 PolarHBondContact O-N 2.95Å; K15-F18 PolarHBondContact O-N 3.01Å; F18-C20 PolarHBondContact O-N 3.22Å; F18-F22 HydrophobicContact CD1-CD2 4.48Å; F18-F22 HydrophobicContact CD1-CE2 4.12Å; F18-F22 VanDerWaalsContact O-CB 3.31Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 WeakPolarHBondContact O-CD2 2.96Å; F18-F22 PolarHBondContact O-N 3.39Å; F18-F22 VanDerWaalsContact O-N 3.09Å; F18-L254 HydrophobicContact CD1-CB 4.15Å; F18-L254 HydrophobicContact CD1-CD1 3.96Å; F18-L254 HydrophobicContact CE1-CB 3.54Å; F18-L254 HydrophobicContact CE1-CD1 4.2Å; F18-L254 HydrophobicContact CE2-CB 4.29Å; F18-L254 HydrophobicContact CG-CD1 4.38Å; F18-L254 HydrophobicContact CZ-CB 3.64Å; F18-D255 WeakPolarHBondContact CE1-OD1 3.43Å; F18-D255 VanDerWaalsContact CZ-OD1 3.25Å; F18-D255 WeakPolarHBondContact CZ-OD1 3.13Å; F18-T258 WeakPolarHBondContact CE2-OG1 2.85Å
19F95.2Very high90.2Very high55 Ų5531.8 Ų31.824%0.24115%0.149CC..Hα-helixtrans-56.3-53.5178.1179.1-93.3000111.7K15 I16 N17 F22 C23 L276 F279 G280 I283K15-F19 PolarHBondContact O-N 2.68Å; I16-F19 WeakPolarHBondContact O-CB 3.44Å; I16-F19 PolarHBondContact O-N 3.11Å; N17-F19 VanDerWaalsContact C-N 3.3Å; N17-F19 PolarHBondContact O-N 2.79Å; F19-F22 PolarHBondContact O-N 3Å; F19-C23 WeakPolarHBondContact O-CB 3.12Å; F19-C23 PolarHBondContact O-N 3.37Å; F19-L276 HydrophobicContact CB-CD2 4.48Å; F19-L276 HydrophobicContact CB-CG 4.2Å; F19-F279 HydrophobicContact CD2-CD1 4Å; F19-F279 AromaticContact CE2-CD1 3.68Å; F19-F279 HydrophobicContact CE2-CD1 3.68Å; F19-F279 HydrophobicContact CE2-CE1 4.06Å; F19-G280 VanDerWaalsContact CE2-CA 3.43Å; F19-I283 HydrophobicContact CE2-CD1 3.96Å; F19-I283 HydrophobicContact CZ-CB 4.39Å; F19-I283 HydrophobicContact CZ-CD1 4Å; F19-I283 HydrophobicContact CZ-CG2 4.45Å
20C95.2Very high91.1Very high5 Ų524 Ų243%0.03412%0.116CC..Hα-helixtrans-64.2-46-176.2-76.60000113.2I16 N17 F18 F22 C23 A24 S338 I341I16-C20 WeakPolarHBondContact O-CB 3.42Å; I16-C20 PolarHBondContact O-N 2.99Å; I16-C20 PolarHBondContact O-SG 2.88Å; I16-C20 VanDerWaalsContact O-SG 3.36Å; N17-C20 PolarHBondContact O-N 2.88Å; F18-C20 PolarHBondContact O-N 3.22Å; C20-F22 PolarHBondContact O-N 2.74Å; C20-C23 WeakPolarHBondContact O-CB 3.37Å; C20-C23 PolarHBondContact O-N 3.5Å; C20-A24 PolarHBondContact O-N 3.37Å; C20-S338 VanDerWaalsContact CB-O 3.28Å; C20-S338 WeakPolarHBondContact CB-O 3.36Å; C20-S338 WeakPolarHBondContact O-CB 3.42Å; C20-I341 VanDerWaalsContact SG-CG2 3.53Å
21Q93.9Very high92Very high3 Ų320.7 Ų20.71%0.01410%0.102CC..Hα-helixtrans-67.9-38-178.8-58.7-59.8-18.700111.1N17 A24 I25 H247 I250 L254N17-Q21 WeakPolarHBondContact O-CB 3.31Å; N17-Q21 WeakPolarHBondContact O-CG 3.19Å; N17-Q21 PolarHBondContact O-N 2.88Å; N17-Q21 WeakPolarHBondContact OD1-CG 3.17Å; N17-Q21 PolarHBondContact OD1-NE2 2.89Å; Q21-A24 WeakPolarHBondContact O-CB 3.37Å; Q21-A24 PolarHBondContact O-N 2.74Å; Q21-I25 VanDerWaalsContact O-CG1 3.29Å; Q21-I25 WeakPolarHBondContact O-CG1 3.3Å; Q21-I25 PolarHBondContact O-N 2.81Å; Q21-H247 PolarHBondContact OE1-NE2 2.68Å; Q21-I250 HydrophobicContact CG-CG2 3.7Å; Q21-L254 HydrophobicContact CG-CD1 4.15Å
22F94.2Very high92.5Very high20 Ų2020.1 Ų20.19%0.08810%0.099CC..Hα-helixtrans-73.4-35.1177.8-82.1-115.1000112.2F18 F19 C20 A24 I25 S26 G277 F281F18-F22 HydrophobicContact CD1-CD2 4.48Å; F18-F22 HydrophobicContact CD1-CE2 4.12Å; F18-F22 VanDerWaalsContact O-CB 3.31Å; F18-F22 WeakPolarHBondContact O-CB 3.42Å; F18-F22 WeakPolarHBondContact O-CD2 2.96Å; F18-F22 PolarHBondContact O-N 3.39Å; F18-F22 VanDerWaalsContact O-N 3.09Å; F19-F22 PolarHBondContact O-N 3Å; C20-F22 PolarHBondContact O-N 2.74Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.45Å; F22-I25 HydrophobicContact CD2-CD1 4.49Å; F22-I25 PolarHBondContact O-N 3.43Å; F22-S26 PolarHBondContact O-N 2.73Å; F22-S26 PolarHBondContact O-OG 3.12Å; F22-G277 WeakPolarHBondContact CB-O 3.33Å; F22-G277 WeakPolarHBondContact CG-O 3.14Å; F22-F281 HydrophobicContact CB-CB 4.22Å; F22-F281 HydrophobicContact CD1-CB 4.45Å; F22-F281 HydrophobicContact CD1-CD2 4.35Å
23C96.2Very high92.8Very high6 Ų616.7 Ų16.74%0.0418%0.081CC..Hα-helixtrans-56.7-47.6169-175.70000110.4F19 C20 I25 S26 S27 G280 G284 S338F19-C23 WeakPolarHBondContact O-CB 3.12Å; F19-C23 PolarHBondContact O-N 3.37Å; C20-C23 WeakPolarHBondContact O-CB 3.37Å; C20-C23 PolarHBondContact O-N 3.5Å; C23-I25 PolarHBondContact O-N 2.85Å; C23-S26 PolarHBondContact O-N 2.73Å; C23-S26 PolarHBondContact O-OG 3.22Å; C23-S27 WeakPolarHBondContact O-CB 3.3Å; C23-S27 PolarHBondContact O-N 3.21Å; C23-S27 PolarHBondContact O-OG 2.87Å; C23-G280 VanDerWaalsContact CA-O 3.28Å; C23-G280 WeakPolarHBondContact CA-O 3.18Å; C23-G280 WeakPolarHBondContact CB-O 3.26Å; C23-G284 WeakPolarHBondContact SG-CA 3.22Å; C23-S338 PolarHBondContact SG-OG 3.05Å
24A95.2Very high93.1Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-62-40.3175.400000113.8C20 Q21 F22 S26 S27 L28 A335 V339C20-A24 PolarHBondContact O-N 3.37Å; Q21-A24 WeakPolarHBondContact O-CB 3.37Å; Q21-A24 PolarHBondContact O-N 2.74Å; F22-A24 VanDerWaalsContact C-N 3.31Å; F22-A24 PolarHBondContact O-N 3.45Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 3.27Å; A24-S27 WeakPolarHBondContact CA-OG 3.47Å; A24-S27 PolarHBondContact O-N 2.81Å; A24-S27 PolarHBondContact O-OG 2.79Å; A24-S27 VanDerWaalsContact O-OG 3.13Å; A24-L28 PolarHBondContact O-N 2.76Å; A24-A335 HydrophobicContact CB-CB 4.43Å; A24-V339 HydrophobicContact CB-CG2 3.48Å; A24-V339 VanDerWaalsContact CB-CG2 3.48Å
25I93.6Very high93.3Very high41 Ų4116.2 Ų16.221%0.218%0.077CC..Iπ-helixtrans-58.2-48.7174.2-66.8166000110Q21 F22 C23 S27 F29 I30 H247 F281Q21-I25 VanDerWaalsContact O-CG1 3.29Å; Q21-I25 WeakPolarHBondContact O-CG1 3.3Å; Q21-I25 PolarHBondContact O-N 2.81Å; F22-I25 HydrophobicContact CD2-CD1 4.49Å; F22-I25 PolarHBondContact O-N 3.43Å; C23-I25 PolarHBondContact O-N 2.85Å; I25-S27 PolarHBondContact O-N 2.95Å; I25-F29 HydrophobicContact CB-CD2 4.48Å; I25-F29 HydrophobicContact CG1-CD2 4.36Å; I25-F29 HydrophobicContact CG2-CB 4.24Å; I25-F29 WeakPolarHBondContact O-CB 3.2Å; I25-F29 PolarHBondContact O-N 3Å; I25-I30 PolarHBondContact O-N 3.06Å; I25-H247 VanDerWaalsContact CG1-CE1 3.45Å; I25-H247 WeakPolarHBondContact CG1-CE1 3.41Å; I25-F281 HydrophobicContact CB-CD2 4.48Å; I25-F281 HydrophobicContact CB-CE2 4.4Å; I25-F281 HydrophobicContact CG2-CD2 4.29Å; I25-F281 HydrophobicContact CG2-CE2 3.75Å
26S94.5Very high93.4Very high0 Ų012.9 Ų12.90%06%0.063CC..Iπ-helixtrans-70.6-29.4-177.269.70000114.4F22 C23 A24 F281 G284 S285F22-S26 PolarHBondContact O-N 2.73Å; F22-S26 PolarHBondContact O-OG 3.12Å; C23-S26 PolarHBondContact O-N 2.73Å; C23-S26 PolarHBondContact O-OG 3.22Å; A24-S26 VanDerWaalsContact C-N 3.32Å; A24-S26 PolarHBondContact O-N 3.27Å; S26-F281 WeakPolarHBondContact CB-O 3.41Å; S26-F281 PolarHBondContact OG-O 3.36Å; S26-F281 VanDerWaalsContact OG-O 3.05Å; S26-G284 VanDerWaalsContact OG-C 3.25Å; S26-G284 VanDerWaalsContact OG-CA 3.25Å; S26-G284 WeakPolarHBondContact OG-CA 2.91Å; S26-S285 PolarHBondContact OG-N 3.32Å
27S94.4Very high93.3Very high0 Ų010.3 Ų10.30%05%0.052CC..Iπ-helixtrans-81.4-40.5179.664.30000112.3C23 A24 I25 Y31 T288 P331 A335C23-S27 WeakPolarHBondContact O-CB 3.3Å; C23-S27 PolarHBondContact O-N 3.21Å; C23-S27 PolarHBondContact O-OG 2.87Å; A24-S27 WeakPolarHBondContact CA-OG 3.47Å; A24-S27 PolarHBondContact O-N 2.81Å; A24-S27 PolarHBondContact O-OG 2.79Å; A24-S27 VanDerWaalsContact O-OG 3.13Å; I25-S27 PolarHBondContact O-N 2.95Å; S27-Y31 VanDerWaalsContact O-CD2 3.22Å; S27-Y31 WeakPolarHBondContact O-CD2 3.39Å; S27-T288 WeakPolarHBondContact CA-OG1 3.48Å; S27-T288 WeakPolarHBondContact CB-OG1 3.36Å; S27-P331 VanDerWaalsContact O-CB 3.32Å; S27-P331 WeakPolarHBondContact O-CB 3.22Å; S27-A335 WeakPolarHBondContact OG-CA 3.43Å; S27-A335 WeakPolarHBondContact OG-CB 3.28Å; S27-A335 PolarHBondContact OG-N 3.16Å
28L93.3Very high93.1Very high1 Ų111 Ų111%0.0056%0.056CC..Iπ-helixtrans-105.2-50.8-175.1-177.965000113.7A24 I30 Y31 M32 I35 M89 I332 A335A24-L28 PolarHBondContact O-N 2.76Å; L28-I30 PolarHBondContact O-N 3.22Å; L28-Y31 CarbonylContact O-C 3.38Å; L28-Y31 PolarHBondContact O-N 3.2Å; L28-Y31 VanDerWaalsContact O-N 3.15Å; L28-M32 HydrophobicContact CD2-CE 4.32Å; L28-M32 HydrophobicContact CG-CE 4.05Å; L28-M32 PolarHBondContact O-N 3.39Å; L28-I35 HydrophobicContact CD1-CD1 3.69Å; L28-M89 HydrophobicContact CD2-CB 4.29Å; L28-M89 HydrophobicContact CD2-CE 4.12Å; L28-M89 HydrophobicContact CD2-CG 3.56Å; L28-M89 HydrophobicContact CD2-SD 3.68Å; L28-I332 HydrophobicContact CD1-CG1 3.85Å; L28-A335 HydrophobicContact CB-CB 3.67Å; L28-A335 HydrophobicContact CD2-CB 4.28Å
29F92.1Very high93Very high44 Ų4411.2 Ų11.219%0.1936%0.057CC..Iπ-helixtrans-71.5-36-166.1-73.3-98.5000112.7I25 Y31 M32 M89 V243 H247I25-F29 HydrophobicContact CB-CD2 4.48Å; I25-F29 HydrophobicContact CG1-CD2 4.36Å; I25-F29 HydrophobicContact CG2-CB 4.24Å; I25-F29 WeakPolarHBondContact O-CB 3.2Å; I25-F29 PolarHBondContact O-N 3Å; F29-Y31 PolarHBondContact O-N 3.4Å; F29-M32 HydrophobicContact CD1-CE 4.42Å; F29-M32 WeakPolarHBondContact O-CB 3.09Å; F29-M32 PolarHBondContact O-N 2.68Å; F29-M89 HydrophobicContact CE2-CE 3.61Å; F29-M89 HydrophobicContact CZ-CE 4Å; F29-V243 HydrophobicContact CE1-CG1 4.26Å; F29-V243 HydrophobicContact CZ-CG1 3.86Å; F29-H247 HydrophobicContact CE2-CB 4.42Å; F29-H247 AromaticContact CE2-CD2 3.99Å; F29-H247 AromaticContact CE2-CG 3.88Å; F29-H247 HydrophobicContact CZ-CB 3.77Å; F29-H247 AromaticContact CZ-CG 3.73Å
30I91.9Very high92.6Very high16 Ų168.8 Ų8.88%0.0825%0.048CC..THydrogen-bonded Turntrans-65.9-33174-48177.7000111.1I25 L28 M32 F281 Y396 T414I25-I30 PolarHBondContact O-N 3.06Å; L28-I30 PolarHBondContact O-N 3.22Å; I30-M32 VanDerWaalsContact C-N 3.32Å; I30-F281 HydrophobicContact CD1-CE1 3.59Å; I30-F281 HydrophobicContact CD1-CE2 4.18Å; I30-F281 HydrophobicContact CD1-CZ 3.32Å; I30-F281 HydrophobicContact CG1-CZ 4.05Å; I30-Y396 HydrophobicContact CB-CE1 4.47Å; I30-Y396 HydrophobicContact CG2-CD1 3.54Å; I30-Y396 HydrophobicContact CG2-CD2 3.46Å; I30-Y396 VanDerWaalsContact CG2-CD2 3.46Å; I30-Y396 HydrophobicContact CG2-CE1 3.55Å; I30-Y396 HydrophobicContact CG2-CE2 3.49Å; I30-Y396 VanDerWaalsContact CG2-CE2 3.49Å; I30-Y396 HydrophobicContact CG2-CG 3.5Å; I30-Y396 VanDerWaalsContact CG2-CG 3.5Å; I30-T414 HydrophobicContact CD1-CG2 4.23Å
31Y92.9Very high92.4Very high0 Ų09 Ų90%05%0.048CC..THydrogen-bonded Turntrans-87.62.6177.3-69.1-85.5000113.2S27 L28 F29 N33 P34 I35 T288 Y328 Y396 L410S27-Y31 VanDerWaalsContact O-CD2 3.22Å; S27-Y31 WeakPolarHBondContact O-CD2 3.39Å; L28-Y31 CarbonylContact O-C 3.38Å; L28-Y31 PolarHBondContact O-N 3.2Å; L28-Y31 VanDerWaalsContact O-N 3.15Å; F29-Y31 PolarHBondContact O-N 3.4Å; Y31-N33 PolarHBondContact O-N 3.36Å; Y31-P34 VanDerWaalsContact O-CD 3.27Å; Y31-P34 WeakPolarHBondContact O-CD 3.45Å; Y31-I35 WeakPolarHBondContact O-CB 3.47Å; Y31-I35 WeakPolarHBondContact O-CD1 3.32Å; Y31-I35 WeakPolarHBondContact O-CG1 3.4Å; Y31-I35 PolarHBondContact O-N 2.74Å; Y31-T288 HydrophobicContact CD2-CG2 3.97Å; Y31-T288 HydrophobicContact CE2-CG2 3.62Å; Y31-Y328 HydrophobicContact CD1-CD1 4.3Å; Y31-Y328 AromaticContact CD1-CE1 3.96Å; Y31-Y328 HydrophobicContact CD1-CE1 3.96Å; Y31-Y396 HydrophobicContact CD1-CD1 4.17Å; Y31-Y396 AromaticContact CE1-CD1 3.88Å; Y31-Y396 HydrophobicContact CE1-CD1 3.88Å; Y31-Y396 AromaticContact CE1-CE1 4Å; Y31-Y396 HydrophobicContact CE1-CE1 4Å; Y31-Y396 HydrophobicContact CE2-CD1 4.46Å; Y31-Y396 HydrophobicContact CE2-CE1 4.04Å; Y31-Y396 AromaticContact CZ-CE1 3.7Å; Y31-L410 HydrophobicContact CE1-CD1 4.35Å
32M93.1Very high92.3Very high3 Ų312 Ų122%0.0157%0.065CC..Hα-helixtrans-57.5-54.8-173.8-173.264.568.600111.2L28 F29 I30 I35 L36 F92L28-M32 HydrophobicContact CD2-CE 4.32Å; L28-M32 HydrophobicContact CG-CE 4.05Å; L28-M32 PolarHBondContact O-N 3.39Å; F29-M32 HydrophobicContact CD1-CE 4.42Å; F29-M32 WeakPolarHBondContact O-CB 3.09Å; F29-M32 PolarHBondContact O-N 2.68Å; I30-M32 VanDerWaalsContact C-N 3.32Å; M32-I35 WeakPolarHBondContact O-CB 3.28Å; M32-I35 PolarHBondContact O-N 2.84Å; M32-L36 HydrophobicContact CG-CD1 4.2Å; M32-L36 HydrophobicContact CG-CG 4.4Å; M32-L36 VanDerWaalsContact O-CG 3.25Å; M32-L36 WeakPolarHBondContact O-CG 3.49Å; M32-L36 PolarHBondContact O-N 3.02Å; M32-L36 HydrophobicContact SD-CD1 4.49Å; M32-L36 HydrophobicContact SD-CG 4.39Å; M32-F92 HydrophobicContact CE-CE2 4.08Å; M32-F92 HydrophobicContact CE-CZ 3.98Å; M32-F92 HydrophobicContact SD-CE1 4.04Å; M32-F92 HydrophobicContact SD-CE2 4.34Å; M32-F92 HydrophobicContact SD-CZ 3.72Å
33N94.1Very high92.1Very high2 Ų212.7 Ų12.71%0.0117%0.072CC..Hα-helixtrans-65.4-41.6179.5-72.9-13.2000113.5Y31 I35 L36 A37 L46 R240 E393 L397Y31-N33 PolarHBondContact O-N 3.36Å; N33-I35 VanDerWaalsContact C-N 3.32Å; N33-I35 PolarHBondContact O-N 3.4Å; N33-L36 PolarHBondContact O-N 3.16Å; N33-A37 WeakPolarHBondContact O-CB 3.35Å; N33-A37 PolarHBondContact O-N 2.97Å; N33-L46 HydrophobicContact CB-CD1 4.33Å; N33-L46 HydrophobicContact CB-CD2 4.46Å; N33-R240 PolarHBondContact OD1-NH1 3.37Å; N33-E393 WeakPolarHBondContact CB-O 3.46Å; N33-E393 VanDerWaalsContact ND2-C 3.35Å; N33-E393 WeakPolarHBondContact ND2-CB 3.42Å; N33-E393 PolarHBondContact ND2-O 3.48Å; N33-E393 PolarHBondContact ND2-OE2 2.94Å; N33-E393 PolarHBondContact OD1-OE2 2.93Å; N33-L397 HydrophobicContact CB-CB 4.32Å
34P92.5Very high91.9Very high1 Ų116.5 Ų16.51%0.0069%0.086CC..Hα-helixtrans-53.5-44.2168.2-2831.3000114.1Y31 A37 T38 Y328Y31-P34 VanDerWaalsContact O-CD 3.27Å; Y31-P34 WeakPolarHBondContact O-CD 3.45Å; P34-A37 PolarHBondContact O-N 2.95Å; P34-T38 WeakPolarHBondContact O-CG2 3.44Å; P34-T38 PolarHBondContact O-N 2.82Å; P34-Y328 HydrophobicContact CB-CE1 4.11Å; P34-Y328 HydrophobicContact CB-CE2 4.23Å
35I92Very high91.8Very high1 Ų117.1 Ų17.11%0.0059%0.089CC..Hα-helixtrans-61.7-49.5175.6-70.9161.5000110L28 Y31 M32 N33 A37 T38 Y39 Y328 P331 I332L28-I35 HydrophobicContact CD1-CD1 3.69Å; Y31-I35 WeakPolarHBondContact O-CB 3.47Å; Y31-I35 WeakPolarHBondContact O-CD1 3.32Å; Y31-I35 WeakPolarHBondContact O-CG1 3.4Å; Y31-I35 PolarHBondContact O-N 2.74Å; M32-I35 WeakPolarHBondContact O-CB 3.28Å; M32-I35 PolarHBondContact O-N 2.84Å; N33-I35 VanDerWaalsContact C-N 3.32Å; N33-I35 PolarHBondContact O-N 3.4Å; I35-A37 VanDerWaalsContact C-N 3.28Å; I35-A37 PolarHBondContact O-N 3.14Å; I35-T38 WeakPolarHBondContact O-CB 3.18Å; I35-T38 PolarHBondContact O-N 2.54Å; I35-T38 PolarHBondContact O-OG1 3Å; I35-Y39 HydrophobicContact CG2-CE2 3.67Å; I35-Y328 HydrophobicContact CG1-CD1 4.26Å; I35-Y328 HydrophobicContact CG1-CD2 4.25Å; I35-Y328 HydrophobicContact CG1-CG 3.78Å; I35-P331 HydrophobicContact CD1-CB 4.31Å; I35-I332 HydrophobicContact CD1-CG1 4.48Å
36L92.3Very high91.9Very high0 Ų015.2 Ų15.20%08%0.079CC..Hα-helixtrans-65-32.7-178.5-65.2-172.1000112.8M32 N33 T38 Y39 L41 L46 F92 V236M32-L36 HydrophobicContact CG-CD1 4.2Å; M32-L36 HydrophobicContact CG-CG 4.4Å; M32-L36 VanDerWaalsContact O-CG 3.25Å; M32-L36 WeakPolarHBondContact O-CG 3.49Å; M32-L36 PolarHBondContact O-N 3.02Å; M32-L36 HydrophobicContact SD-CD1 4.49Å; M32-L36 HydrophobicContact SD-CG 4.39Å; N33-L36 PolarHBondContact O-N 3.16Å; L36-T38 PolarHBondContact O-N 3.22Å; L36-Y39 HydrophobicContact CD2-CD2 3.72Å; L36-Y39 HydrophobicContact CD2-CE2 3.84Å; L36-Y39 WeakPolarHBondContact O-CB 2.87Å; L36-Y39 PolarHBondContact O-N 3.42Å; L36-L41 HydrophobicContact CB-CD2 4.39Å; L36-L41 PolarHBondContact O-N 3.02Å; L36-L46 HydrophobicContact CB-CD2 3.38Å; L36-L46 HydrophobicContact CD1-CD2 4.06Å; L36-L46 HydrophobicContact CG-CD2 4.36Å; L36-F92 HydrophobicContact CD2-CE1 4.08Å; L36-V236 HydrophobicContact CD1-CG1 3.68Å; L36-V236 HydrophobicContact CD2-CB 4.47Å; L36-V236 HydrophobicContact CD2-CG1 3.37Å; L36-V236 HydrophobicContact CD2-CG2 4.23Å; L36-V236 HydrophobicContact CG-CG1 4.08Å
37A90.2Very high91.9Very high18 Ų1815.2 Ų15.215%0.1498%0.079CC..Hα-helixtrans-62.6-3217200000111.7N33 P34 I35 Y39 G40 L397N33-A37 WeakPolarHBondContact O-CB 3.35Å; N33-A37 PolarHBondContact O-N 2.97Å; P34-A37 PolarHBondContact O-N 2.95Å; I35-A37 VanDerWaalsContact C-N 3.28Å; I35-A37 PolarHBondContact O-N 3.14Å; A37-Y39 PolarHBondContact O-N 2.77Å; A37-G40 PolarHBondContact O-N 2.96Å; A37-L397 HydrophobicContact CB-CD1 3.66Å
38T87.4Confident91.9Very high14 Ų1416.5 Ų16.59%0.0869%0.086CC..Hα-helixtrans-70.3-16.717370.60000114.4P34 I35 L36 G40 Y328P34-T38 WeakPolarHBondContact O-CG2 3.44Å; P34-T38 PolarHBondContact O-N 2.82Å; I35-T38 WeakPolarHBondContact O-CB 3.18Å; I35-T38 PolarHBondContact O-N 2.54Å; I35-T38 PolarHBondContact O-OG1 3Å; L36-T38 PolarHBondContact O-N 3.22Å; T38-G40 VanDerWaalsContact C-N 3.26Å; T38-Y328 HydrophobicContact CG2-CD2 3.5Å; T38-Y328 HydrophobicContact CG2-CE2 3.43Å; T38-Y328 VanDerWaalsContact CG2-CE2 3.43Å
39Y88.4Confident91.9Very high5 Ų516.5 Ų16.52%0.029%0.086CC..THydrogen-bonded Turntrans-850.5169.3-56-51.6000112.8I35 L36 A37 F92 I95 R97 A228 V236I35-Y39 HydrophobicContact CG2-CE2 3.67Å; L36-Y39 HydrophobicContact CD2-CD2 3.72Å; L36-Y39 HydrophobicContact CD2-CE2 3.84Å; L36-Y39 WeakPolarHBondContact O-CB 2.87Å; L36-Y39 PolarHBondContact O-N 3.42Å; A37-Y39 PolarHBondContact O-N 2.77Å; Y39-F92 HydrophobicContact CE2-CD1 4.44Å; Y39-F92 PolarHBondContact OH-O 2.94Å; Y39-I95 HydrophobicContact CD1-CB 4.3Å; Y39-I95 HydrophobicContact CD1-CG2 3.73Å; Y39-I95 HydrophobicContact CD2-CG2 4.21Å; Y39-I95 HydrophobicContact CE1-CB 3.84Å; Y39-I95 HydrophobicContact CE1-CG2 3.81Å; Y39-I95 HydrophobicContact CE2-CB 4.43Å; Y39-I95 HydrophobicContact CE2-CD1 4.1Å; Y39-I95 HydrophobicContact CE2-CG2 4.33Å; Y39-I95 HydrophobicContact CG-CG2 3.97Å; Y39-R97 HydrophobicContact CD1-CG 3.78Å; Y39-R97 HydrophobicContact CE1-CG 3.81Å; Y39-A228 WeakPolarHBondContact O-CB 3.09Å; Y39-V236 HydrophobicContact CD2-CG2 4.31Å
40G87.2Confident92Very high5 Ų514.4 Ų14.45%0.0528%0.077CC..THydrogen-bonded Turntrans91.213.5178.900000115.1A37 T38 R226 A228A37-G40 PolarHBondContact O-N 2.96Å; T38-G40 VanDerWaalsContact C-N 3.26Å; G40-R226 VanDerWaalsContact CA-O 3.27Å; G40-R226 WeakPolarHBondContact CA-O 3.47Å; G40-A228 WeakPolarHBondContact O-CB 3.36Å; G40-A228 PolarHBondContact O-N 2.73Å
41L91.7Very high92.2Very high8 Ų815.5 Ų15.54%0.0428%0.083CC..  trans-73.8129.9176.8-8275.4000110.6L36 Q45 L46 T49 A228 V233 V236L36-L41 HydrophobicContact CB-CD2 4.39Å; L36-L41 PolarHBondContact O-N 3.02Å; L41-Q45 HydrophobicContact CB-CB 4.34Å; L41-Q45 HydrophobicContact CD2-CB 4.37Å; L41-Q45 HydrophobicContact CG-CB 4.32Å; L41-L46 HydrophobicContact CB-CD2 3.76Å; L41-L46 HydrophobicContact CB-CG 4.05Å; L41-L46 HydrophobicContact CD2-CD2 4.09Å; L41-T49 HydrophobicContact CD2-CG2 4.03Å; L41-A228 HydrophobicContact CD1-CB 3.88Å; L41-A228 HydrophobicContact CG-CB 4.39Å; L41-V233 HydrophobicContact CG-CG2 4.26Å; L41-V236 HydrophobicContact CD1-CG2 4.38Å; L41-V236 HydrophobicContact CD2-CG1 3.94Å
42N90.5Very high92.3Very high68 Ų6820.6 Ų20.636%0.36411%0.105SC..  trans-79.7167.2173.469.130.6000112.2Y44 Q45 L46N42-Y44 PolarHBondContact O-N 2.66Å; N42-Y44 VanDerWaalsContact O-N 3.15Å; N42-Y44 PolarHBondContact OD1-N 3.28Å; N42-Q45 PolarHBondContact O-N 3.22Å; N42-Q45 VanDerWaalsContact O-N 3.12Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.28Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.19Å; N42-Q45 PolarHBondContact OD1-N 2.76Å; N42-L46 WeakPolarHBondContact O-CG 3.37Å; N42-L46 PolarHBondContact O-N 3.02Å
43S91.2Very high92.3Very high33 Ų3320.4 Ų20.423%0.23110%0.104CC..Hα-helixtrans-56.2-34.5-175.8-53.40000114.3G47 Y394 G526 L529S43-G47 PolarHBondContact O-N 3.26Å; S43-G47 VanDerWaalsContact O-N 3.09Å; S43-Y394 PolarHBondContact O-OH 3.24Å; S43-G526 WeakPolarHBondContact O-CA 3.31Å; S43-L529 WeakPolarHBondContact OG-CD2 3.41Å
44Y90.9Very high92.3Very high86 Ų8621.3 Ų21.334%0.33711%0.109SC..Hα-helixtrans-70.4-47.4176.4168.5-111.5000112.3N42 L46 G47 I48 L527N42-Y44 PolarHBondContact O-N 2.66Å; N42-Y44 VanDerWaalsContact O-N 3.15Å; N42-Y44 PolarHBondContact OD1-N 3.28Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 2.78Å; Y44-G47 WeakPolarHBondContact O-CA 3.43Å; Y44-G47 PolarHBondContact O-N 2.76Å; Y44-I48 HydrophobicContact CD1-CD1 4.04Å; Y44-I48 HydrophobicContact CD2-CD1 4.49Å; Y44-I48 HydrophobicContact CE1-CD1 3.42Å; Y44-I48 VanDerWaalsContact CE1-CD1 3.42Å; Y44-I48 HydrophobicContact CE1-CG1 4.43Å; Y44-I48 HydrophobicContact CE2-CD1 3.93Å; Y44-I48 HydrophobicContact CE2-CG1 4.17Å; Y44-I48 PolarHBondContact O-N 3.13Å; Y44-L527 HydrophobicContact CD2-CD2 3.5Å; Y44-L527 VanDerWaalsContact CD2-CD2 3.5Å; Y44-L527 HydrophobicContact CD2-CG 4.32Å; Y44-L527 HydrophobicContact CE2-CD2 3.8Å
45Q93.8Very high92.3Very high13 Ų1322.9 Ų22.96%0.06112%0.122CC..Hα-helixtrans-61.5-41.1175.9-71.8166.1-16.200110.9L41 N42 G47 I48 T49 W230 V233L41-Q45 HydrophobicContact CB-CB 4.34Å; L41-Q45 HydrophobicContact CD2-CB 4.37Å; L41-Q45 HydrophobicContact CG-CB 4.32Å; N42-Q45 PolarHBondContact O-N 3.22Å; N42-Q45 VanDerWaalsContact O-N 3.12Å; N42-Q45 WeakPolarHBondContact OD1-CB 3.28Å; N42-Q45 WeakPolarHBondContact OD1-CG 3.19Å; N42-Q45 PolarHBondContact OD1-N 2.76Å; Q45-G47 VanDerWaalsContact C-N 3.28Å; Q45-G47 PolarHBondContact O-N 3.15Å; Q45-I48 PolarHBondContact O-N 2.04Å; Q45-T49 VanDerWaalsContact O-CG2 3.25Å; Q45-T49 WeakPolarHBondContact O-CG2 3.17Å; Q45-T49 PolarHBondContact O-N 2.59Å; Q45-W230 HydrophobicContact CG-CH2 4.44Å; Q45-V233 HydrophobicContact CB-CG1 4.28Å; Q45-V233 HydrophobicContact CG-CG1 4.25Å; Q45-V233 HydrophobicContact CG-CG2 4.22Å
46L94.5Very high92.4Very high2 Ų225 Ų251%0.0114%0.137CC..Hα-helixtrans-56.6-44.3171.9-67.3175.5000111.1N33 L36 L41 N42 Y44 T49 S50 L397N33-L46 HydrophobicContact CB-CD1 4.33Å; N33-L46 HydrophobicContact CB-CD2 4.46Å; L36-L46 HydrophobicContact CB-CD2 3.38Å; L36-L46 HydrophobicContact CD1-CD2 4.06Å; L36-L46 HydrophobicContact CG-CD2 4.36Å; L41-L46 HydrophobicContact CB-CD2 3.76Å; L41-L46 HydrophobicContact CB-CG 4.05Å; L41-L46 HydrophobicContact CD2-CD2 4.09Å; N42-L46 WeakPolarHBondContact O-CG 3.37Å; N42-L46 PolarHBondContact O-N 3.02Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 2.78Å; L46-T49 PolarHBondContact O-N 3.35Å; L46-T49 PolarHBondContact O-OG1 2.04Å; L46-S50 PolarHBondContact O-N 2.84Å; L46-L397 HydrophobicContact CD1-CD1 4.24Å; L46-L397 HydrophobicContact CD1-CD2 3.59Å
47G95Very high92.3Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-62-43.617700000113.4S43 Y44 Q45 T49 S50 L51 Y394 G522S43-G47 PolarHBondContact O-N 3.26Å; S43-G47 VanDerWaalsContact O-N 3.09Å; Y44-G47 WeakPolarHBondContact O-CA 3.43Å; Y44-G47 PolarHBondContact O-N 2.76Å; Q45-G47 VanDerWaalsContact C-N 3.28Å; Q45-G47 PolarHBondContact O-N 3.15Å; G47-T49 VanDerWaalsContact C-N 3.34Å; G47-T49 PolarHBondContact O-N 2.8Å; G47-S50 PolarHBondContact O-N 2.82Å; G47-L51 PolarHBondContact O-N 3.31Å; G47-Y394 WeakPolarHBondContact CA-OH 3.17Å; G47-Y394 PolarHBondContact N-OH 2.89Å; G47-Y394 VanDerWaalsContact N-OH 3.11Å; G47-G522 WeakPolarHBondContact CA-O 3.39Å
48I94.8Very high92.2Very high27 Ų2725.5 Ų25.514%0.13814%0.138CC..Hα-helixtrans-59.2-46.7172.8-68.6171.1000110.5Y44 Q45 S50 L51 F52 L523Y44-I48 HydrophobicContact CD1-CD1 4.04Å; Y44-I48 HydrophobicContact CD2-CD1 4.49Å; Y44-I48 HydrophobicContact CE1-CD1 3.42Å; Y44-I48 VanDerWaalsContact CE1-CD1 3.42Å; Y44-I48 HydrophobicContact CE1-CG1 4.43Å; Y44-I48 HydrophobicContact CE2-CD1 3.93Å; Y44-I48 HydrophobicContact CE2-CG1 4.17Å; Y44-I48 PolarHBondContact O-N 3.13Å; Q45-I48 PolarHBondContact O-N 2.04Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 2.89Å; I48-L51 WeakPolarHBondContact O-CB 3.45Å; I48-L51 PolarHBondContact O-N 3.32Å; I48-F52 HydrophobicContact CG2-CD2 3.84Å; I48-F52 HydrophobicContact CG2-CE2 3.9Å; I48-F52 WeakPolarHBondContact O-CD2 3.48Å; I48-F52 PolarHBondContact O-N 3.33Å; I48-L523 HydrophobicContact CG1-CD1 4.48Å
49T94.1Very high92.3Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-64.7-36.3-179.570.80000112.4L41 Q45 L46 G47 S53 V236 L237 R240L41-T49 HydrophobicContact CD2-CG2 4.03Å; Q45-T49 VanDerWaalsContact O-CG2 3.25Å; Q45-T49 WeakPolarHBondContact O-CG2 3.17Å; Q45-T49 PolarHBondContact O-N 2.59Å; L46-T49 PolarHBondContact O-N 3.35Å; L46-T49 PolarHBondContact O-OG1 2.04Å; G47-T49 VanDerWaalsContact C-N 3.34Å; G47-T49 PolarHBondContact O-N 2.8Å; T49-S53 WeakPolarHBondContact O-CB 3.08Å; T49-S53 PolarHBondContact O-N 3.38Å; T49-S53 PolarHBondContact O-OG 2.77Å; T49-V236 HydrophobicContact CG2-CG1 4.39Å; T49-L237 HydrophobicContact CG2-CB 4.14Å; T49-L237 HydrophobicContact CG2-CD1 4.17Å; T49-R240 PolarHBondContact OG1-NH1 3.12Å
50S93.4Very high92.3Very high0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-66.6-44174.5-177.50000111.7L46 G47 I48 F52 S53 N54 E393L46-S50 PolarHBondContact O-N 2.84Å; G47-S50 PolarHBondContact O-N 2.82Å; I48-S50 VanDerWaalsContact C-N 3.3Å; I48-S50 PolarHBondContact O-N 2.89Å; S50-F52 PolarHBondContact O-N 3.3Å; S50-S53 WeakPolarHBondContact CA-OG 3.4Å; S50-S53 PolarHBondContact O-N 2.84Å; S50-S53 PolarHBondContact O-OG 3.05Å; S50-N54 VanDerWaalsContact O-CB 3.25Å; S50-N54 WeakPolarHBondContact O-CB 3.06Å; S50-N54 PolarHBondContact O-N 2.96Å; S50-N54 PolarHBondContact O-ND2 2.79Å; S50-N54 PolarHBondContact OG-ND2 3.24Å; S50-E393 PolarHBondContact OG-OE1 3.23Å
51L96Very high92.3Very high40 Ų4031.6 Ų31.621%0.20917%0.167CC..Hα-helixtrans-53.2-58.5177.7175.370.8000111.9G47 I48 A55 S519 L520 L523G47-L51 PolarHBondContact O-N 3.31Å; I48-L51 WeakPolarHBondContact O-CB 3.45Å; I48-L51 PolarHBondContact O-N 3.32Å; L51-A55 VanDerWaalsContact O-CB 3.23Å; L51-A55 WeakPolarHBondContact O-CB 3.13Å; L51-A55 PolarHBondContact O-N 2.78Å; L51-S519 WeakPolarHBondContact CA-O 3.07Å; L51-S519 VanDerWaalsContact CD1-O 3.31Å; L51-S519 WeakPolarHBondContact CD1-O 3.44Å; L51-S519 VanDerWaalsContact O-CB 3.32Å; L51-S519 WeakPolarHBondContact O-CB 3.36Å; L51-L520 HydrophobicContact CD1-CD2 4.43Å; L51-L523 HydrophobicContact CB-CB 4.33Å; L51-L523 HydrophobicContact CD2-CD2 4.15Å
52F95.3Very high91.8Very high106 Ų10634.1 Ų34.147%0.46518%0.18SC..Hα-helixtrans-70.2-40.1-176-75.1-73.1000111.7I48 S50 N54 A55 C56 L237I48-F52 HydrophobicContact CG2-CD2 3.84Å; I48-F52 HydrophobicContact CG2-CE2 3.9Å; I48-F52 WeakPolarHBondContact O-CD2 3.48Å; I48-F52 PolarHBondContact O-N 3.33Å; S50-F52 PolarHBondContact O-N 3.3Å; F52-N54 PolarHBondContact O-N 3.37Å; F52-A55 PolarHBondContact O-N 2.93Å; F52-C56 WeakPolarHBondContact O-CB 3.33Å; F52-C56 PolarHBondContact O-N 2.8Å; F52-C56 PolarHBondContact O-SG 3.31Å; F52-L237 HydrophobicContact CB-CD1 3.75Å; F52-L237 HydrophobicContact CD2-CD1 4.04Å; F52-L237 HydrophobicContact CG-CD1 4.25Å
53S93.8Very high91.6Very high0 Ų033.7 Ų33.70%018%0.18CC..Hα-helixtrans-65.9-40.8-179.661.60000112.9T49 S50 S57 R240 C241T49-S53 WeakPolarHBondContact O-CB 3.08Å; T49-S53 PolarHBondContact O-N 3.38Å; T49-S53 PolarHBondContact O-OG 2.77Å; S50-S53 WeakPolarHBondContact CA-OG 3.4Å; S50-S53 PolarHBondContact O-N 2.84Å; S50-S53 PolarHBondContact O-OG 3.05Å; S53-S57 VanDerWaalsContact O-CB 3.25Å; S53-S57 WeakPolarHBondContact O-CB 3.16Å; S53-S57 PolarHBondContact O-N 3.2Å; S53-R240 WeakPolarHBondContact OG-CD 3.45Å; S53-R240 PolarHBondContact OG-NE 2.81Å; S53-C241 VanDerWaalsContact CA-SG 3.56Å; S53-C241 PolarHBondContact N-SG 3.02Å
54N92.8Very high91.3Very high20 Ų2035.3 Ų35.311%0.10718%0.183CC..Hα-helixtrans-72.5-34.3176.3-72-35.2000111.9S50 F52 S57 C58 E393 S518S50-N54 VanDerWaalsContact O-CB 3.25Å; S50-N54 WeakPolarHBondContact O-CB 3.06Å; S50-N54 PolarHBondContact O-N 2.96Å; S50-N54 PolarHBondContact O-ND2 2.79Å; S50-N54 PolarHBondContact OG-ND2 3.24Å; F52-N54 PolarHBondContact O-N 3.37Å; N54-S57 WeakPolarHBondContact O-CB 3.42Å; N54-S57 PolarHBondContact O-N 3.22Å; N54-C58 WeakPolarHBondContact O-CB 3.25Å; N54-C58 PolarHBondContact O-N 3.44Å; N54-E393 PolarHBondContact ND2-OE1 2.7Å; N54-E393 VanDerWaalsContact ND2-OE1 3.14Å; N54-S518 PolarHBondContact ND2-O 2.94Å
55A93.1Very high90.6Very high35 Ų3532.2 Ų32.229%0.28918%0.177SC..Hα-helixtrans-64.1-46.9172.100000111.8L51 F52 S57 C58 I59L51-A55 VanDerWaalsContact O-CB 3.23Å; L51-A55 WeakPolarHBondContact O-CB 3.13Å; L51-A55 PolarHBondContact O-N 2.78Å; F52-A55 PolarHBondContact O-N 2.93Å; A55-S57 PolarHBondContact O-N 3.12Å; A55-C58 WeakPolarHBondContact O-CB 3.27Å; A55-C58 PolarHBondContact O-N 3.11Å; A55-I59 WeakPolarHBondContact O-CG1 3.41Å; A55-I59 PolarHBondContact O-N 3Å; A55-I59 VanDerWaalsContact O-N 3.1Å
56C93.4Very high89.8Confident46 Ų4636.8 Ų36.831%0.31120%0.2SC..Hα-helixtrans-61.8-42.5174.9-69.80000111.6F52 C58 I59 A60 C241 S245F52-C56 WeakPolarHBondContact O-CB 3.33Å; F52-C56 PolarHBondContact O-N 2.8Å; F52-C56 PolarHBondContact O-SG 3.31Å; C56-C58 VanDerWaalsContact C-N 3.34Å; C56-C58 PolarHBondContact O-N 2.75Å; C56-I59 PolarHBondContact O-N 2.95Å; C56-A60 VanDerWaalsContact O-CB 3.24Å; C56-A60 WeakPolarHBondContact O-CB 3.35Å; C56-A60 PolarHBondContact O-N 2.89Å; C56-C241 HydrophobicContact CB-CB 4.47Å; C56-S245 WeakPolarHBondContact CB-OG 3.25Å
57S91.2Very high89.2Confident5 Ų540 Ų404%0.03522%0.216CC..Hα-helixtrans-57.1-43.9173166.60000112.4S53 N54 A55 I59 A60 R61 A248S53-S57 VanDerWaalsContact O-CB 3.25Å; S53-S57 WeakPolarHBondContact O-CB 3.16Å; S53-S57 PolarHBondContact O-N 3.2Å; N54-S57 WeakPolarHBondContact O-CB 3.42Å; N54-S57 PolarHBondContact O-N 3.22Å; A55-S57 PolarHBondContact O-N 3.12Å; S57-I59 PolarHBondContact O-N 3.11Å; S57-A60 PolarHBondContact O-N 3.43Å; S57-R61 WeakPolarHBondContact O-CG 3.34Å; S57-R61 PolarHBondContact O-N 2.64Å; S57-A248 WeakPolarHBondContact OG-CB 3.34Å
58C87.8Confident88.3Confident22 Ų2240 Ų4015%0.14922%0.216CC..Hα-helixtrans-60.3-46.6176.6-170.90000111.9N54 A55 C56N54-C58 WeakPolarHBondContact O-CB 3.25Å; N54-C58 PolarHBondContact O-N 3.44Å; A55-C58 WeakPolarHBondContact O-CB 3.27Å; A55-C58 PolarHBondContact O-N 3.11Å; C56-C58 VanDerWaalsContact C-N 3.34Å; C56-C58 PolarHBondContact O-N 2.75Å
59I88.8Confident87.2Confident109 Ų10941 Ų4156%0.55922%0.222SC*.Hα-helixtrans-65.9-43.8177.6-64.4167.9000110.4A55 C56 S57 R61 I62 V63A55-I59 WeakPolarHBondContact O-CG1 3.41Å; A55-I59 PolarHBondContact O-N 3Å; A55-I59 VanDerWaalsContact O-N 3.1Å; C56-I59 PolarHBondContact O-N 2.95Å; S57-I59 PolarHBondContact O-N 3.11Å; I59-R61 VanDerWaalsContact C-N 3.33Å; I59-R61 PolarHBondContact O-N 3.37Å; I59-I62 PolarHBondContact O-N 3.11Å; I59-I62 VanDerWaalsContact O-N 3.11Å; I59-V63 HydrophobicContact CG2-CG2 4.04Å; I59-V63 WeakPolarHBondContact O-CG2 3.08Å; I59-V63 PolarHBondContact O-N 3.18Å
60A89.4Confident86.2Confident8 Ų849 Ų497%0.06626%0.259CS..Hα-helixtrans-60.5-40.7-179.800000112.2C56 S57 I62 V63 F64 S245 P249C56-A60 VanDerWaalsContact O-CB 3.24Å; C56-A60 WeakPolarHBondContact O-CB 3.35Å; C56-A60 PolarHBondContact O-N 2.89Å; S57-A60 PolarHBondContact O-N 3.43Å; A60-I62 PolarHBondContact O-N 3.24Å; A60-V63 PolarHBondContact O-N 2.93Å; A60-F64 HydrophobicContact CB-CD2 4.14Å; A60-F64 HydrophobicContact CB-CE2 4.43Å; A60-F64 WeakPolarHBondContact O-CB 3.45Å; A60-F64 WeakPolarHBondContact O-CD2 3.08Å; A60-F64 PolarHBondContact O-N 3.04Å; A60-S245 WeakPolarHBondContact CB-O 3.17Å; A60-P249 HydrophobicContact CB-CG 4.12Å
61R86.1Confident85.3Confident35 Ų3551.7 Ų51.713%0.13228%0.276CS..Hα-helixtrans-56.1-40175-76176.7-166.4-146.92.1112.2S57 I59 G65 A248S57-R61 WeakPolarHBondContact O-CG 3.34Å; S57-R61 PolarHBondContact O-N 2.64Å; I59-R61 VanDerWaalsContact C-N 3.33Å; I59-R61 PolarHBondContact O-N 3.37Å; R61-G65 PolarHBondContact O-N 3.01Å; R61-A248 HydrophobicContact CG-CB 4.06Å
62I82.7Confident84.1Confident61 Ų6155.7 Ų55.731%0.31329%0.291SS..Hα-helixtrans-73.9-51.2-179.9-61.4169.2000109.9I59 A60 G65 M66I59-I62 PolarHBondContact O-N 3.11Å; I59-I62 VanDerWaalsContact O-N 3.11Å; A60-I62 PolarHBondContact O-N 3.24Å; I62-G65 PolarHBondContact O-N 2.81Å; I62-M66 HydrophobicContact CG2-CE 3.83Å; I62-M66 WeakPolarHBondContact O-CG 3.44Å; I62-M66 PolarHBondContact O-N 3.46Å; I62-M66 VanDerWaalsContact O-N 3.11Å
63V85.8Confident83.1Confident60 Ų6055.8 Ų55.836%0.36429%0.293SS..Hα-helixtrans-62.4-51.5-176.7173.70000111.9I59 A60 G65 M66 I67I59-V63 HydrophobicContact CG2-CG2 4.04Å; I59-V63 WeakPolarHBondContact O-CG2 3.08Å; I59-V63 PolarHBondContact O-N 3.18Å; A60-V63 PolarHBondContact O-N 2.93Å; V63-G65 VanDerWaalsContact C-N 3.3Å; V63-G65 PolarHBondContact O-N 2.75Å; V63-M66 HydrophobicContact CG2-CE 4.48Å; V63-M66 PolarHBondContact O-N 3.03Å; V63-I67 HydrophobicContact CG1-CD1 3.79Å; V63-I67 WeakPolarHBondContact O-CG1 3.33Å; V63-I67 PolarHBondContact O-N 3.22Å
64F84.4Confident82.3Confident66 Ų6656.2 Ų56.229%0.28930%0.295SS..Hα-helixtrans-71.6-25.1-179.4-76-73.8000113.1A60 I67 A68 V77 L81 P249A60-F64 HydrophobicContact CB-CD2 4.14Å; A60-F64 HydrophobicContact CB-CE2 4.43Å; A60-F64 WeakPolarHBondContact O-CB 3.45Å; A60-F64 WeakPolarHBondContact O-CD2 3.08Å; A60-F64 PolarHBondContact O-N 3.04Å; F64-I67 HydrophobicContact CD1-CD1 4.07Å; F64-I67 HydrophobicContact CE1-CD1 4.3Å; F64-A68 VanDerWaalsContact O-CB 3.28Å; F64-A68 WeakPolarHBondContact O-CB 2.91Å; F64-A68 PolarHBondContact O-N 3.34Å; F64-V77 HydrophobicContact CD1-CG1 4.5Å; F64-L81 HydrophobicContact CB-CD1 4.25Å; F64-L81 HydrophobicContact CD1-CD1 4.23Å; F64-L81 HydrophobicContact CD1-CD2 3.88Å; F64-L81 HydrophobicContact CD1-CG 4.37Å; F64-L81 HydrophobicContact CD2-CD2 4.14Å; F64-L81 HydrophobicContact CE1-CD2 3.78Å; F64-L81 HydrophobicContact CE2-CD2 4.05Å; F64-L81 HydrophobicContact CG-CD1 4.22Å; F64-L81 HydrophobicContact CG-CD2 4.05Å; F64-L81 HydrophobicContact CZ-CD2 3.87Å; F64-P249 HydrophobicContact CB-CB 3.84Å; F64-P249 HydrophobicContact CB-CG 4.02Å; F64-P249 HydrophobicContact CD2-CG 3.96Å; F64-P249 HydrophobicContact CG-CG 4.32Å
65G76.6Confident81.8Confident22 Ų2256.7 Ų56.723%0.22730%0.297CS..Hα-helixtrans-58.8-52.2167.200000111.2R61 I62 V63 I67 A68 D69R61-G65 PolarHBondContact O-N 3.01Å; I62-G65 PolarHBondContact O-N 2.81Å; V63-G65 VanDerWaalsContact C-N 3.3Å; V63-G65 PolarHBondContact O-N 2.75Å; G65-I67 PolarHBondContact O-N 3.02Å; G65-A68 PolarHBondContact O-N 2.88Å; G65-D69 PolarHBondContact O-N 3.44Å; G65-D69 VanDerWaalsContact O-N 3.12Å
66M76.5Confident81.4Confident108 Ų10862.5 Ų62.553%0.53231%0.313SS..Hα-helixtrans-62.4-40177.8-66.2-177.5-66.800112.8I62 V63 D69 H70I62-M66 HydrophobicContact CG2-CE 3.83Å; I62-M66 WeakPolarHBondContact O-CG 3.44Å; I62-M66 PolarHBondContact O-N 3.46Å; I62-M66 VanDerWaalsContact O-N 3.11Å; V63-M66 HydrophobicContact CG2-CE 4.48Å; V63-M66 PolarHBondContact O-N 3.03Å; M66-D69 PolarHBondContact O-N 2.74Å; M66-H70 PolarHBondContact O-N 3.15Å
67I82Confident81.1Confident69 Ų6961.1 Ų61.135%0.35430%0.303SS..Hα-helixtrans-64.5-42.9177-67.4167.7000111.3V63 F64 G65 D69 H70 T71V63-I67 HydrophobicContact CG1-CD1 3.79Å; V63-I67 WeakPolarHBondContact O-CG1 3.33Å; V63-I67 PolarHBondContact O-N 3.22Å; F64-I67 HydrophobicContact CD1-CD1 4.07Å; F64-I67 HydrophobicContact CE1-CD1 4.3Å; G65-I67 PolarHBondContact O-N 3.02Å; I67-D69 VanDerWaalsContact C-N 3.26Å; I67-D69 PolarHBondContact O-N 2.89Å; I67-H70 PolarHBondContact O-N 3.2Å; I67-T71 HydrophobicContact CG2-CG2 4.09Å; I67-T71 WeakPolarHBondContact O-CB 3.41Å; I67-T71 VanDerWaalsContact O-CG2 3.3Å; I67-T71 WeakPolarHBondContact O-CG2 3.43Å; I67-T71 PolarHBondContact O-N 3.14Å; I67-T71 PolarHBondContact O-OG1 3.36Å
68A76.8Confident80.9Confident0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-64.1-33.4178.100000112.6F64 G65 T71 R74 V77 L253F64-A68 VanDerWaalsContact O-CB 3.28Å; F64-A68 WeakPolarHBondContact O-CB 2.91Å; F64-A68 PolarHBondContact O-N 3.34Å; G65-A68 PolarHBondContact O-N 2.88Å; A68-T71 PolarHBondContact O-OG1 3.27Å; A68-R74 HydrophobicContact CB-CG 4.25Å; A68-V77 HydrophobicContact CB-CB 4.43Å; A68-V77 HydrophobicContact CB-CG1 4.24Å; A68-V77 HydrophobicContact CB-CG2 4.46Å; A68-L253 HydrophobicContact CB-CD2 3.3Å
69D71.2Confident80.9Confident50 Ų5063 Ų6327%0.26731%0.31SS..Hα-helixtrans-72.2-40.2175-68.9-26.1000112G65 M66 I67 R74G65-D69 PolarHBondContact O-N 3.44Å; G65-D69 VanDerWaalsContact O-N 3.12Å; M66-D69 PolarHBondContact O-N 2.74Å; I67-D69 VanDerWaalsContact C-N 3.26Å; I67-D69 PolarHBondContact O-N 2.89Å; D69-R74 IonicContact OD1-CZ 3.51Å; D69-R74 IonicContact OD1-NE 3.1Å; D69-R74 IonicContact OD1-NH2 3.19Å; D69-R74 PolarHBondContact OD1-NH2 3.4Å
70H72.8Confident81Confident167 Ų16760.2 Ų60.277%0.77330%0.303SS*.Hα-helixtrans-69.9-40.1178.8-168.2-78.7000112.9M66 I67 K72M66-H70 PolarHBondContact O-N 3.15Å; I67-H70 PolarHBondContact O-N 3.2Å; H70-K72 PolarHBondContact O-N 3.25Å
71T74.4Confident81.1Confident57 Ų5760.1 Ų60.135%0.3530%0.302SS..Hα-helixtrans-72.5-14.6-175.349.70000113.8I67 A68 H73I67-T71 HydrophobicContact CG2-CG2 4.09Å; I67-T71 WeakPolarHBondContact O-CB 3.41Å; I67-T71 VanDerWaalsContact O-CG2 3.3Å; I67-T71 WeakPolarHBondContact O-CG2 3.43Å; I67-T71 PolarHBondContact O-N 3.14Å; I67-T71 PolarHBondContact O-OG1 3.36Å; A68-T71 PolarHBondContact O-OG1 3.27Å; T71-H73 PolarHBondContact O-CD2 2.84Å; T71-H73 PolarHBondContact O-N 2.79Å
72K71.4Confident81.4Confident124 Ų12458.5 Ų58.554%0.53930%0.295SS..SBendtrans55.5-10.2-172.5-61.9-175.3179.1-179.50115.6H70H70-K72 PolarHBondContact O-N 3.25Å
73H74.9Confident81.8Confident108 Ų10858.7 Ų58.750%0.530%0.302SS..  trans-111.169.6179.7-59.3-71.1000111.4T71 N75 Y76T71-H73 PolarHBondContact O-CD2 2.84Å; T71-H73 PolarHBondContact O-N 2.79Å; H73-N75 PolarHBondContact O-N 3.17Å; H73-Y76 HydrophobicContact CB-CD2 3.61Å; H73-Y76 HydrophobicContact CB-CE2 4.31Å; H73-Y76 PolarHBondContact O-N 2.88Å; H73-Y76 VanDerWaalsContact O-N 3.1Å
74R77.2Confident82.2Confident8 Ų859.4 Ų59.43%0.0331%0.307CS..Hα-helixtrans-55.1-28.7-177.7-62.7-168.2177.9175.2-7.1113.8A68 D69 V77 L78 S256 V257 Y351A68-R74 HydrophobicContact CB-CG 4.25Å; D69-R74 IonicContact OD1-CZ 3.51Å; D69-R74 IonicContact OD1-NE 3.1Å; D69-R74 IonicContact OD1-NH2 3.19Å; D69-R74 PolarHBondContact OD1-NH2 3.4Å; R74-V77 PolarHBondContact O-N 2.95Å; R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.4Å; R74-S256 PolarHBondContact NH1-OG 3.33Å; R74-S256 PolarHBondContact NH2-OG 3.08Å; R74-V257 HydrophobicContact CB-CG2 4.38Å; R74-Y351 HydrophobicContact CB-CD1 4.26Å; R74-Y351 HydrophobicContact CB-CD2 4.45Å; R74-Y351 HydrophobicContact CB-CG 4.26Å; R74-Y351 VanDerWaalsContact CD-CZ 3.47Å; R74-Y351 HydrophobicContact CG-CD1 4.11Å; R74-Y351 HydrophobicContact CG-CE1 3.91Å; R74-Y351 PolarHBondContact NE-OH 3.01Å; R74-Y351 PolarHBondContact NH1-OH 2.76Å
75N81.5Confident82.6Confident30 Ų3056.2 Ų56.216%0.1629%0.293CS..Hα-helixtrans-65.2-41.4179.2-54.5-34.8000112.6H73 V77 L78 M79 C349 Y351H73-N75 PolarHBondContact O-N 3.17Å; N75-V77 VanDerWaalsContact C-N 3.32Å; N75-V77 PolarHBondContact O-N 3.32Å; N75-L78 PolarHBondContact O-N 3.32Å; N75-M79 VanDerWaalsContact O-CB 3.28Å; N75-M79 WeakPolarHBondContact O-CB 3.45Å; N75-M79 PolarHBondContact O-N 3.49Å; N75-C349 PolarHBondContact ND2-O 3.01Å; N75-C349 WeakPolarHBondContact OD1-CB 3.41Å; N75-C349 PolarHBondContact OD1-O 3.43Å; N75-Y351 WeakPolarHBondContact ND2-CB 2.93Å; N75-Y351 PolarHBondContact ND2-N 3.36Å
76Y84.3Confident83.3Confident157 Ų15757.7 Ų57.762%0.61630%0.295SS*.Hα-helixtrans-66.4-38.4177.3-71.9-61.4000111.2H73 M79 A80H73-Y76 HydrophobicContact CB-CD2 3.61Å; H73-Y76 HydrophobicContact CB-CE2 4.31Å; H73-Y76 PolarHBondContact O-N 2.88Å; H73-Y76 VanDerWaalsContact O-N 3.1Å; Y76-M79 HydrophobicContact CD1-CE 3.94Å; Y76-M79 PolarHBondContact O-N 3.21Å; Y76-A80 VanDerWaalsContact O-CB 3.25Å; Y76-A80 WeakPolarHBondContact O-CB 3.33Å; Y76-A80 PolarHBondContact O-N 2.86Å
77V87Confident84.1Confident17 Ų1754.3 Ų54.310%0.10329%0.288CS..Hα-helixtrans-65-45.1175.3-178.20000110.7F64 A68 R74 N75 M79 A80 L81 L253F64-V77 HydrophobicContact CD1-CG1 4.5Å; A68-V77 HydrophobicContact CB-CB 4.43Å; A68-V77 HydrophobicContact CB-CG1 4.24Å; A68-V77 HydrophobicContact CB-CG2 4.46Å; R74-V77 PolarHBondContact O-N 2.95Å; N75-V77 VanDerWaalsContact C-N 3.32Å; N75-V77 PolarHBondContact O-N 3.32Å; V77-M79 PolarHBondContact O-N 2.9Å; V77-A80 PolarHBondContact O-N 3.03Å; V77-L81 HydrophobicContact CG1-CD1 3.96Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 VanDerWaalsContact O-CG 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.26Å; V77-L81 PolarHBondContact O-N 3.39Å; V77-L253 HydrophobicContact CG1-CD1 4.17Å
78L87.3Confident84.6Confident4 Ų452.3 Ų52.32%0.02128%0.278CS..Hα-helixtrans-60.9-43.4176.1-171.269.9000111.9R74 N75 S82 I250 L253 L254R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.4Å; N75-L78 PolarHBondContact O-N 3.32Å; L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 3.37Å; L78-S82 PolarHBondContact O-OG 2.85Å; L78-I250 HydrophobicContact CD1-CB 4.25Å; L78-I250 HydrophobicContact CD1-CG2 3.65Å; L78-L253 HydrophobicContact CD1-CB 4.22Å; L78-L253 HydrophobicContact CD1-CD1 4.49Å; L78-L254 HydrophobicContact CD1-CD2 4.42Å; L78-L254 HydrophobicContact CD1-CG 4.36Å; L78-L254 HydrophobicContact CD2-CD2 3.89Å
79M87.8Confident85.4Confident62 Ų6252.3 Ų52.331%0.30528%0.278SS..Hα-helixtrans-65.3-44.3177.1-174.7-175.572.400111.6N75 Y76 V77 S82 S83 T343 S346 I347N75-M79 VanDerWaalsContact O-CB 3.28Å; N75-M79 WeakPolarHBondContact O-CB 3.45Å; N75-M79 PolarHBondContact O-N 3.49Å; Y76-M79 HydrophobicContact CD1-CE 3.94Å; Y76-M79 PolarHBondContact O-N 3.21Å; V77-M79 PolarHBondContact O-N 2.9Å; M79-S82 WeakPolarHBondContact CA-OG 3.44Å; M79-S82 PolarHBondContact O-OG 3.18Å; M79-S82 VanDerWaalsContact O-OG 3.05Å; M79-S83 WeakPolarHBondContact O-CB 3.02Å; M79-S83 PolarHBondContact O-N 3.2Å; M79-T343 HydrophobicContact CG-CG2 4.29Å; M79-S346 WeakPolarHBondContact CA-OG 3.46Å; M79-S346 WeakPolarHBondContact CB-OG 3.41Å; M79-I347 HydrophobicContact CG-CG1 4.41Å; M79-I347 HydrophobicContact SD-CD1 4.37Å; M79-I347 HydrophobicContact SD-CG1 3.72Å
80A91Very high86.4Confident51 Ų5154.1 Ų54.142%0.42129%0.287SS..Hα-helixtrans-63.5-44.7178.100000111.4Y76 V77 T84Y76-A80 VanDerWaalsContact O-CB 3.25Å; Y76-A80 WeakPolarHBondContact O-CB 3.33Å; Y76-A80 PolarHBondContact O-N 2.86Å; V77-A80 PolarHBondContact O-N 3.03Å; A80-T84 VanDerWaalsContact O-CB 3.26Å; A80-T84 WeakPolarHBondContact O-CB 3.48Å; A80-T84 PolarHBondContact O-N 3.24Å; A80-T84 PolarHBondContact O-OG1 2.71Å
81L92.2Very high87.3Confident7 Ų749.9 Ų49.94%0.03727%0.27CS..Hα-helixtrans-65.8-45.9177.9-73.6173.2000112.2F64 V77 T84 S85 P249 I250 L253F64-L81 HydrophobicContact CB-CD1 4.25Å; F64-L81 HydrophobicContact CD1-CD1 4.23Å; F64-L81 HydrophobicContact CD1-CD2 3.88Å; F64-L81 HydrophobicContact CD1-CG 4.37Å; F64-L81 HydrophobicContact CD2-CD2 4.14Å; F64-L81 HydrophobicContact CE1-CD2 3.78Å; F64-L81 HydrophobicContact CE2-CD2 4.05Å; F64-L81 HydrophobicContact CG-CD1 4.22Å; F64-L81 HydrophobicContact CG-CD2 4.05Å; F64-L81 HydrophobicContact CZ-CD2 3.87Å; V77-L81 HydrophobicContact CG1-CD1 3.96Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.46Å; V77-L81 VanDerWaalsContact O-CG 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.26Å; V77-L81 PolarHBondContact O-N 3.39Å; L81-T84 PolarHBondContact O-N 3.09Å; L81-S85 WeakPolarHBondContact O-CB 3.38Å; L81-S85 PolarHBondContact O-N 3.37Å; L81-S85 PolarHBondContact O-OG 3.19Å; L81-P249 HydrophobicContact CD1-CB 4.03Å; L81-P249 HydrophobicContact CD1-CG 4.5Å; L81-I250 HydrophobicContact CB-CD1 4.37Å; L81-I250 HydrophobicContact CB-CG1 4Å; L81-L253 HydrophobicContact CD1-CD1 3.72Å
82S91Very high88Confident0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-64-44.9177.752.60000111.9L78 M79 T84 S85 L86 V339 T343L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 3.37Å; L78-S82 PolarHBondContact O-OG 2.85Å; M79-S82 WeakPolarHBondContact CA-OG 3.44Å; M79-S82 PolarHBondContact O-OG 3.18Å; M79-S82 VanDerWaalsContact O-OG 3.05Å; S82-T84 PolarHBondContact O-N 3.25Å; S82-S85 PolarHBondContact O-N 2.88Å; S82-S85 PolarHBondContact O-OG 3.37Å; S82-L86 WeakPolarHBondContact O-CB 3.45Å; S82-L86 PolarHBondContact O-N 3.1Å; S82-V339 WeakPolarHBondContact O-CG1 3.41Å; S82-T343 WeakPolarHBondContact CB-OG1 3.46Å; S82-T343 PolarHBondContact OG-OG1 3.28Å
83S92.4Very high88.7Confident66 Ų6644.8 Ų44.846%0.46225%0.246SC..Hα-helixtrans-61-44174.2-174.10000112.4M79 S85 L86 G87M79-S83 WeakPolarHBondContact O-CB 3.02Å; M79-S83 PolarHBondContact O-N 3.2Å; S83-S85 PolarHBondContact O-N 2.99Å; S83-L86 WeakPolarHBondContact O-CB 3.45Å; S83-L86 PolarHBondContact O-N 3.35Å; S83-G87 PolarHBondContact O-N 3.5Å
84T93.3Very high89.2Confident74 Ų7444.6 Ų44.645%0.45425%0.253SS..Hα-helixtrans-62.8-44.3176-57.60000110.8A80 L81 S82 L86 G87 L88 A246A80-T84 VanDerWaalsContact O-CB 3.26Å; A80-T84 WeakPolarHBondContact O-CB 3.48Å; A80-T84 PolarHBondContact O-N 3.24Å; A80-T84 PolarHBondContact O-OG1 2.71Å; L81-T84 PolarHBondContact O-N 3.09Å; S82-T84 PolarHBondContact O-N 3.25Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 3.12Å; T84-G87 PolarHBondContact O-N 3.04Å; T84-L88 HydrophobicContact CG2-CD1 3.78Å; T84-L88 HydrophobicContact CG2-CG 4.32Å; T84-L88 WeakPolarHBondContact O-CB 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.21Å; T84-L88 PolarHBondContact O-N 3.29Å; T84-A246 HydrophobicContact CG2-CB 4.14Å
85S92.6Very high89.6Confident0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-61.9-39.7177.4760000111.9L81 S82 S83 L88 M89 V339L81-S85 WeakPolarHBondContact O-CB 3.38Å; L81-S85 PolarHBondContact O-N 3.37Å; L81-S85 PolarHBondContact O-OG 3.19Å; S82-S85 PolarHBondContact O-N 2.88Å; S82-S85 PolarHBondContact O-OG 3.37Å; S83-S85 PolarHBondContact O-N 2.99Å; S85-L88 PolarHBondContact O-N 3.45Å; S85-M89 WeakPolarHBondContact O-CB 3.33Å; S85-M89 WeakPolarHBondContact O-CG 3.37Å; S85-M89 PolarHBondContact O-N 3.26Å; S85-V339 WeakPolarHBondContact OG-CG1 3.39Å
86L92.5Very high89.4Confident52 Ų5247.2 Ų47.227%0.27227%0.271SS..Hα-helixtrans-61.9-51.7175.8-173.3159.2000111.3S82 S83 T84 L88 M89 L90 L336 V339 G340S82-L86 WeakPolarHBondContact O-CB 3.45Å; S82-L86 PolarHBondContact O-N 3.1Å; S83-L86 WeakPolarHBondContact O-CB 3.45Å; S83-L86 PolarHBondContact O-N 3.35Å; T84-L86 VanDerWaalsContact C-N 3.31Å; T84-L86 PolarHBondContact O-N 3.12Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L86-L88 PolarHBondContact O-N 3.22Å; L86-M89 PolarHBondContact O-N 2.95Å; L86-L90 PolarHBondContact O-N 3.31Å; L86-L90 VanDerWaalsContact O-N 3.16Å; L86-L336 HydrophobicContact CD2-CD2 4.22Å; L86-L336 HydrophobicContact CG-CD2 4.06Å; L86-L336 VanDerWaalsContact O-CD2 3.23Å; L86-L336 WeakPolarHBondContact O-CD2 3.31Å; L86-V339 HydrophobicContact CB-CG1 3.85Å; L86-V339 HydrophobicContact CD1-CG1 4.44Å; L86-G340 VanDerWaalsContact CD1-CA 3.44Å
87G92.2Very high89Confident37 Ų3743.9 Ų43.938%0.38126%0.257SS..Hα-helixtrans-59.9-40179.500000112.3S83 T84 L90S83-G87 PolarHBondContact O-N 3.5Å; T84-G87 PolarHBondContact O-N 3.04Å; G87-L90 WeakPolarHBondContact O-CB 3.45Å; G87-L90 PolarHBondContact O-N 3.29Å
88L93.6Very high88.6Confident28 Ų2846 Ų4615%0.14727%0.268CS..Hα-helixtrans-72.4-36.6177.4-66.5169000112.7T84 S85 L86 L90 L91 L239 L242 V243 A246T84-L88 HydrophobicContact CG2-CD1 3.78Å; T84-L88 HydrophobicContact CG2-CG 4.32Å; T84-L88 WeakPolarHBondContact O-CB 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.21Å; T84-L88 PolarHBondContact O-N 3.29Å; S85-L88 PolarHBondContact O-N 3.45Å; L86-L88 VanDerWaalsContact C-N 3.29Å; L86-L88 PolarHBondContact O-N 3.22Å; L88-L90 PolarHBondContact O-N 3.37Å; L88-L91 HydrophobicContact CD2-CD1 4.1Å; L88-L91 WeakPolarHBondContact O-CB 3.48Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.14Å; L88-L239 HydrophobicContact CB-CD1 4.32Å; L88-L239 HydrophobicContact CD2-CD1 4.2Å; L88-L242 HydrophobicContact CD1-CB 3.7Å; L88-L242 HydrophobicContact CD2-CB 4.1Å; L88-L242 HydrophobicContact CD2-CD1 4.13Å; L88-V243 HydrophobicContact CB-CG2 3.4Å; L88-V243 VanDerWaalsContact CB-CG2 3.4Å; L88-V243 HydrophobicContact CD1-CG2 4.37Å; L88-V243 HydrophobicContact CG-CG2 4.49Å; L88-A246 HydrophobicContact CD1-CB 4.24Å
89M92.9Very high88.2Confident0 Ų050.3 Ų50.30%029%0.287CS..Hα-helixtrans-61.9-33.7175.2-76178.5-167.200111.9L28 F29 S85 L86 L91 F92 V243 H247 A335 L336 V339L28-M89 HydrophobicContact CD2-CB 4.29Å; L28-M89 HydrophobicContact CD2-CE 4.12Å; L28-M89 HydrophobicContact CD2-CG 3.56Å; L28-M89 HydrophobicContact CD2-SD 3.68Å; F29-M89 HydrophobicContact CE2-CE 3.61Å; F29-M89 HydrophobicContact CZ-CE 4Å; S85-M89 WeakPolarHBondContact O-CB 3.33Å; S85-M89 WeakPolarHBondContact O-CG 3.37Å; S85-M89 PolarHBondContact O-N 3.26Å; L86-M89 PolarHBondContact O-N 2.95Å; M89-L91 PolarHBondContact O-N 3.33Å; M89-F92 PolarHBondContact O-N 2.96Å; M89-V243 HydrophobicContact CE-CG1 4.15Å; M89-V243 HydrophobicContact CG-CG1 4.09Å; M89-H247 VanDerWaalsContact CE-CD2 3.49Å; M89-H247 WeakPolarHBondContact CE-CD2 3.45Å; M89-A335 HydrophobicContact SD-CB 4.19Å; M89-L336 HydrophobicContact CB-CD2 3.79Å; M89-L336 HydrophobicContact CB-CG 4.5Å; M89-V339 HydrophobicContact CE-CG2 4.07Å; M89-V339 HydrophobicContact SD-CG2 3.94Å
90L91.9Very high87.8Confident88 Ų8847.6 Ų47.646%0.46127%0.274SS..Hα-helixtrans-62.6-32.4176.9-173.768.2000112L86 G87 L88 F92 L93 L336L86-L90 PolarHBondContact O-N 3.31Å; L86-L90 VanDerWaalsContact O-N 3.16Å; G87-L90 WeakPolarHBondContact O-CB 3.45Å; G87-L90 PolarHBondContact O-N 3.29Å; L88-L90 PolarHBondContact O-N 3.37Å; L90-F92 PolarHBondContact O-N 3.29Å; L90-L93 HydrophobicContact CD1-CD1 3.99Å; L90-L93 WeakPolarHBondContact O-CB 3.31Å; L90-L93 PolarHBondContact O-N 3.25Å; L90-L93 VanDerWaalsContact O-N 3.07Å; L90-L336 HydrophobicContact CB-CD1 4.47Å; L90-L336 HydrophobicContact CB-CD2 4.17Å; L90-L336 HydrophobicContact CD1-CD1 3.71Å
91L92.2Very high87.5Confident77 Ų7747.9 Ų47.940%0.40326%0.264SS..G310 helixtrans-66.6-17.8179.3-62175.2000113.4L88 M89 L93 T94 L239L88-L91 HydrophobicContact CD2-CD1 4.1Å; L88-L91 WeakPolarHBondContact O-CB 3.48Å; L88-L91 PolarHBondContact O-N 3.3Å; L88-L91 VanDerWaalsContact O-N 3.14Å; M89-L91 PolarHBondContact O-N 3.33Å; L91-L93 PolarHBondContact O-N 2.92Å; L91-T94 PolarHBondContact O-N 3.04Å; L91-T94 VanDerWaalsContact O-N 3.15Å; L91-T94 PolarHBondContact O-OG1 3.09Å; L91-L239 HydrophobicContact CB-CD1 3.86Å; L91-L239 HydrophobicContact CB-CD2 3.96Å; L91-L239 HydrophobicContact CD1-CD1 3.91Å; L91-L239 HydrophobicContact CG-CD1 4.5Å
92F88.6Confident87Confident1 Ų148 Ų480%0.00427%0.266CS..G310 helixtrans-64.4-25172-79.4-73000112.3M32 L36 Y39 M89 L90 T94 I95 L239 V243 I332M32-F92 HydrophobicContact CE-CE2 4.08Å; M32-F92 HydrophobicContact CE-CZ 3.98Å; M32-F92 HydrophobicContact SD-CE1 4.04Å; M32-F92 HydrophobicContact SD-CE2 4.34Å; M32-F92 HydrophobicContact SD-CZ 3.72Å; L36-F92 HydrophobicContact CD2-CE1 4.08Å; Y39-F92 HydrophobicContact CE2-CD1 4.44Å; Y39-F92 PolarHBondContact OH-O 2.94Å; M89-F92 PolarHBondContact O-N 2.96Å; L90-F92 PolarHBondContact O-N 3.29Å; F92-T94 VanDerWaalsContact C-N 3.28Å; F92-T94 PolarHBondContact O-N 3.03Å; F92-I95 HydrophobicContact CD1-CD1 3.85Å; F92-I95 HydrophobicContact CE1-CD1 4.39Å; F92-L239 HydrophobicContact CD1-CD2 3.69Å; F92-L239 HydrophobicContact CD2-CD2 3.94Å; F92-L239 HydrophobicContact CD2-CG 4.44Å; F92-L239 HydrophobicContact CE1-CD2 3.74Å; F92-L239 HydrophobicContact CE1-CG 4.21Å; F92-L239 HydrophobicContact CE2-CD2 4.03Å; F92-L239 HydrophobicContact CE2-CG 4.09Å; F92-L239 HydrophobicContact CG-CD2 3.78Å; F92-L239 HydrophobicContact CZ-CD2 3.92Å; F92-L239 HydrophobicContact CZ-CG 3.95Å; F92-V243 HydrophobicContact CE2-CB 4.46Å; F92-V243 HydrophobicContact CE2-CG2 3.88Å; F92-I332 HydrophobicContact CB-CD1 4.01Å
93L86.5Confident86.8Confident74 Ų7448.1 Ų48.139%0.38727%0.266SS..G310 helixtrans-72.6-20.7176.1-62.6178.1000113.1L90 L91 I329 I332L90-L93 HydrophobicContact CD1-CD1 3.99Å; L90-L93 WeakPolarHBondContact O-CB 3.31Å; L90-L93 PolarHBondContact O-N 3.25Å; L90-L93 VanDerWaalsContact O-N 3.07Å; L91-L93 PolarHBondContact O-N 2.92Å; L93-I329 HydrophobicContact CD2-CG1 4.41Å; L93-I332 HydrophobicContact CD1-CG2 4.3Å; L93-I332 HydrophobicContact CD2-CB 4.07Å; L93-I332 HydrophobicContact CD2-CD1 3.63Å; L93-I332 HydrophobicContact CD2-CG1 4.45Å; L93-I332 HydrophobicContact CD2-CG2 3.89Å; L93-I332 HydrophobicContact CG-CD1 4.41Å; L93-I332 HydrophobicContact CG-CG2 3.88Å
94T85.9Confident86.4Confident104 Ų10446.8 Ų46.864%0.63825%0.254SS*.G310 helixtrans-91-7.5-176.666.90000113.3L91 F92L91-T94 PolarHBondContact O-N 3.04Å; L91-T94 VanDerWaalsContact O-N 3.15Å; L91-T94 PolarHBondContact O-OG1 3.09Å; F92-T94 VanDerWaalsContact C-N 3.28Å; F92-T94 PolarHBondContact O-N 3.03Å
95I85.3Confident85.9Confident15 Ų1543.3 Ų43.38%0.07723%0.233CC..SBendtrans-69.9124.1-179.8-60.1179000109.5Y39 F92 R97 V232 V236 L239Y39-I95 HydrophobicContact CD1-CB 4.3Å; Y39-I95 HydrophobicContact CD1-CG2 3.73Å; Y39-I95 HydrophobicContact CD2-CG2 4.21Å; Y39-I95 HydrophobicContact CE1-CB 3.84Å; Y39-I95 HydrophobicContact CE1-CG2 3.81Å; Y39-I95 HydrophobicContact CE2-CB 4.43Å; Y39-I95 HydrophobicContact CE2-CD1 4.1Å; Y39-I95 HydrophobicContact CE2-CG2 4.33Å; Y39-I95 HydrophobicContact CG-CG2 3.97Å; F92-I95 HydrophobicContact CD1-CD1 3.85Å; F92-I95 HydrophobicContact CE1-CD1 4.39Å; I95-R97 PolarHBondContact O-N 2.89Å; I95-V232 HydrophobicContact CG2-CG1 4.35Å; I95-V236 HydrophobicContact CD1-CG2 3.89Å; I95-V236 HydrophobicContact CG2-CG2 4.5Å; I95-L239 HydrophobicContact CD1-CD2 3.93Å
96P76.9Confident85.4Confident77 Ų7744.7 Ų44.750%0.524%0.24SC..  trans-65.2131.9-179.226.4-33.7000111
97R77Confident84.7Confident87 Ų8742.8 Ų42.833%0.32823%0.23SC..  trans-94.3106.5171.5-68.2-179.1-178.7169.74.9108.8Y39 I95 N327Y39-R97 HydrophobicContact CD1-CG 3.78Å; Y39-R97 HydrophobicContact CE1-CG 3.81Å; I95-R97 PolarHBondContact O-N 2.89Å; R97-N327 PolarHBondContact NH1-OD1 3.07Å
98N77.5Confident83.7Confident63 Ų6343.6 Ų43.634%0.33723%0.226SC..  trans-84.3127.5177.3-67.3-28.1000110.1R226N98-R226 HydrophobicContact CB-CB 4.13Å; N98-R226 WeakPolarHBondContact O-CB 3.28Å; N98-R226 PolarHBondContact O-N 2.54Å; N98-R226 VanDerWaalsContact O-N 3.14Å
99K79Confident82.4Confident94 Ų9449.5 Ų49.541%0.40925%0.252SS..EExtended strand (participates in β ladder)trans-105.3152.6177-63.1167.1172.3-146.50109.3E223 H224K99-E223 HydrophobicContact CB-CG 4.01Å; K99-E223 HydrophobicContact CD-CG 3.93Å; K99-E223 WeakPolarHBondContact CD-OE1 3.44Å; K99-E223 VanDerWaalsContact CE-CD 3.43Å; K99-E223 WeakPolarHBondContact CE-OE1 3.14Å; K99-E223 HydrophobicContact CG-CG 4.01Å; K99-E223 WeakPolarHBondContact CG-OE1 3.39Å; K99-E223 IonicContact NZ-OE1 3.25Å; K99-E223 PolarHBondContact NZ-OE1 3.36Å; K99-E223 IonicContact NZ-OE2 3.04Å; K99-E223 PolarHBondContact NZ-OE2 3.49Å; K99-H224 WeakPolarHBondContact CA-O 3.47Å
100A80.3Confident81.2Confident4 Ų455.4 Ų55.43%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-128.7143167.700000108.7C206 H224 R226A100-C206 CarbonylContact C-O 3.51Å; A100-C206 WeakPolarHBondContact CA-O 3.5Å; A100-H224 PolarHBondContact N-O 3.35Å; A100-H224 PolarHBondContact O-N 2.96Å; A100-R226 HydrophobicContact CB-CB 4.01Å; A100-R226 HydrophobicContact CB-CG 4.34Å
101Y83.2Confident80.1Confident57 Ų5752.9 Ų52.922%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-99.4116.7175.8-59.5-80.1000108.6S205 C206 V207 I209 C222 E223Y101-S205 CarbonylContact O-C 3.58Å; Y101-S205 WeakPolarHBondContact O-CA 3.5Å; Y101-C206 PolarHBondContact N-O 2.78Å; Y101-C206 PolarHBondContact O-N 2.75Å; Y101-V207 WeakPolarHBondContact CE2-O 3.31Å; Y101-I209 HydrophobicContact CD1-CD1 3.85Å; Y101-I209 HydrophobicContact CD1-CG1 4.37Å; Y101-I209 HydrophobicContact CD2-CG1 4.17Å; Y101-I209 HydrophobicContact CD2-CG2 3.84Å; Y101-I209 HydrophobicContact CE1-CD1 3.84Å; Y101-I209 HydrophobicContact CE1-CG1 4.23Å; Y101-I209 HydrophobicContact CE2-CD1 4.5Å; Y101-I209 HydrophobicContact CE2-CG1 4.02Å; Y101-I209 HydrophobicContact CE2-CG2 4.49Å; Y101-I209 HydrophobicContact CG-CD1 4.18Å; Y101-I209 HydrophobicContact CG-CG1 4.32Å; Y101-I209 HydrophobicContact CG-CG2 3.87Å; Y101-C222 CarbonylContact C-O 3.55Å; Y101-C222 VanDerWaalsContact CA-O 3.31Å; Y101-C222 WeakPolarHBondContact CA-O 3.38Å; Y101-E223 HydrophobicContact CE1-CB 4.44Å
102V83.1Confident79.4Confident11 Ų1150.2 Ų50.27%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-107.8131.9-173.2-174.60000109.7Q203 L204 C222 H224 S315V102-Q203 HydrophobicContact CG1-CG 3.27Å; V102-L204 CarbonylContact C-O 3.34Å; V102-L204 WeakPolarHBondContact CA-O 3.45Å; V102-C222 PolarHBondContact N-O 3.13Å; V102-H224 VanDerWaalsContact CB-CD2 3.44Å; V102-H224 WeakPolarHBondContact CB-CD2 3.19Å; V102-H224 HydrophobicContact CG2-CB 3.76Å; V102-H224 VanDerWaalsContact CG2-CD2 3.45Å; V102-H224 WeakPolarHBondContact CG2-CD2 3.5Å; V102-S315 VanDerWaalsContact O-CB 3.27Å; V102-S315 WeakPolarHBondContact O-CB 3.37Å; V102-S315 PolarHBondContact O-OG 2.88Å
103F85.2Confident79.1Confident1 Ų150.3 Ų50.30%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-129.3126.1-174.7-57.7-69.3000110.1F113 M115 P145 L148 Q203 L204 C206 I209 C222F103-F113 HydrophobicContact CB-CE1 4.19Å; F103-F113 HydrophobicContact CB-CZ 4.23Å; F103-M115 HydrophobicContact CB-CG 4.29Å; F103-M115 HydrophobicContact CB-SD 3.6Å; F103-M115 HydrophobicContact CD1-CE 4.04Å; F103-M115 HydrophobicContact CD1-CG 4.46Å; F103-M115 HydrophobicContact CD1-SD 3.09Å; F103-M115 WeakPolarHBondContact CD1-SD 3.38Å; F103-M115 HydrophobicContact CD2-SD 4.47Å; F103-M115 HydrophobicContact CE1-CE 4.21Å; F103-M115 HydrophobicContact CE1-SD 3.81Å; F103-M115 HydrophobicContact CG-SD 3.47Å; F103-M115 WeakPolarHBondContact CG-SD 3.3Å; F103-P145 HydrophobicContact CZ-CG 4.49Å; F103-L148 HydrophobicContact CD2-CD1 4.24Å; F103-L148 HydrophobicContact CD2-CD2 4.26Å; F103-L148 HydrophobicContact CE2-CD1 4.37Å; F103-L148 HydrophobicContact CE2-CD2 3.58Å; F103-L148 HydrophobicContact CZ-CD2 3.9Å; F103-Q203 CarbonylContact O-C 3.48Å; F103-Q203 WeakPolarHBondContact O-CA 3.39Å; F103-L204 HydrophobicContact CB-CB 4.48Å; F103-L204 PolarHBondContact N-O 2.68Å; F103-L204 PolarHBondContact O-N 2.62Å; F103-C206 HydrophobicContact CE2-CB 4.45Å; F103-I209 HydrophobicContact CE2-CG2 4.11Å; F103-I209 HydrophobicContact CZ-CG2 3.95Å; F103-C222 HydrophobicContact CD1-CB 4.12Å; F103-C222 HydrophobicContact CE1-CB 3.63Å; F103-C222 VanDerWaalsContact CE1-SG 3.53Å; F103-C222 HydrophobicContact CZ-CB 4.21Å
104N84.7Confident78.9Confident39 Ų3947.8 Ų47.821%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-93.1141.6168.2-62.9-23.6000109.9H116 I202 Q203 S315 S316N104-H116 PolarHBondContact O-N 3.34Å; N104-I202 WeakPolarHBondContact CA-O 3.48Å; N104-Q203 WeakPolarHBondContact OD1-CG 3.5Å; N104-S315 WeakPolarHBondContact CB-O 3.39Å; N104-S315 PolarHBondContact N-O 2.92Å; N104-S315 PolarHBondContact ND2-O 3.47Å; N104-S316 WeakPolarHBondContact ND2-CA 3.44Å
105G83.1Confident78.8Confident1 Ų142.9 Ų42.91%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-164.417517900000111.9L114 T201 I202G105-L114 CarbonylContact C-O 3.53Å; G105-L114 WeakPolarHBondContact CA-O 3.24Å; G105-T201 CarbonylContact O-C 3.47Å; G105-T201 WeakPolarHBondContact O-CA 3.27Å; G105-I202 PolarHBondContact N-O 3.37Å; G105-I202 PolarHBondContact O-N 3.18Å; G105-I202 VanDerWaalsContact O-O 3.13Å
106N82.5Confident78.6Confident28 Ų2845.3 Ų45.315%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-108154.3171.8-67.9-18.2000109.6L114 K200 T201N106-L114 PolarHBondContact N-O 2.88Å; N106-L114 WeakPolarHBondContact O-CB 3.46Å; N106-L114 PolarHBondContact O-N 2.95Å; N106-K200 PolarHBondContact OD1-O 3.43Å; N106-T201 VanDerWaalsContact OD1-CA 3.31Å; N106-T201 WeakPolarHBondContact OD1-CA 3.18Å; N106-T201 WeakPolarHBondContact OD1-CG2 3.35Å; N106-T201 PolarHBondContact OD1-N 3.37Å
107I76.4Confident78.7Confident13 Ų1342.2 Ų42.27%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-93.5129.2166.8-71.6178.5000109.6E112 I158 I159 F196 I202I107-E112 CarbonylContact C-O 3.51Å; I107-E112 VanDerWaalsContact CA-O 3.3Å; I107-E112 WeakPolarHBondContact CA-O 3.33Å; I107-I158 HydrophobicContact CD1-CB 4.41Å; I107-I158 HydrophobicContact CD1-CG2 3.33Å; I107-I159 HydrophobicContact CD1-CD1 3.84Å; I107-I159 HydrophobicContact CD1-CG1 3.74Å; I107-F196 HydrophobicContact CG2-CD1 3.88Å; I107-F196 HydrophobicContact CG2-CE1 4.23Å; I107-F196 HydrophobicContact CG2-CG 4.42Å; I107-I202 HydrophobicContact CB-CD1 4.4Å; I107-I202 HydrophobicContact CD1-CD1 3.28Å; I107-I202 HydrophobicContact CG1-CD1 3.71Å
108N71.4Confident78.6Confident54 Ų5439.6 Ų39.629%0.28921%0.205SC..  trans-78.2165.1173.6-69.3-9.8000111N110 G111 E112N108-N110 PolarHBondContact O-N 3Å; N108-G111 PolarHBondContact O-N 3.46Å; N108-E112 HydrophobicContact CB-CB 4.49Å; N108-E112 PolarHBondContact N-O 3.12Å
109E67.4Low78.2Confident151 Ų15137.8 Ų37.871%0.70620%0.197SC*.THydrogen-bonded Turntrans-54.3-26.8177.8-62.5-178.6172.400113.7G111E109-G111 PolarHBondContact O-N 2.73Å
110N66.8Low77.5Confident125 Ų12536.1 Ų36.167%0.66819%0.192SC*.THydrogen-bonded Turntrans-79.31.8177.6-63.6-15.3000114.1N108 E112N108-N110 PolarHBondContact O-N 3Å; N110-E112 VanDerWaalsContact C-N 3.29Å; N110-E112 HydrophobicContact CB-CG 3.83Å; N110-E112 PolarHBondContact O-N 3.44Å
111G68.9Low76.5Confident34 Ų3439.5 Ų39.535%0.35121%0.21SC..SBendtrans77.610.5-173.700000114.4N108 E109N108-G111 PolarHBondContact O-N 3.46Å; E109-G111 PolarHBondContact O-N 2.73Å
112E77.3Confident75.2Confident22 Ų2245.4 Ų45.410%0.10324%0.237CC..  trans-86.7143.7-178.1-51.6177.6137.300111.4I107 N108 N110 R167 V177 V179I107-E112 CarbonylContact C-O 3.51Å; I107-E112 VanDerWaalsContact CA-O 3.3Å; I107-E112 WeakPolarHBondContact CA-O 3.33Å; N108-E112 HydrophobicContact CB-CB 4.49Å; N108-E112 PolarHBondContact N-O 3.12Å; N110-E112 VanDerWaalsContact C-N 3.29Å; N110-E112 HydrophobicContact CB-CG 3.83Å; N110-E112 PolarHBondContact O-N 3.44Å; E112-R167 WeakPolarHBondContact OE1-CD 3.3Å; E112-R167 IonicContact OE1-CZ 3.64Å; E112-R167 IonicContact OE1-NE 2.75Å; E112-R167 IonicContact OE1-NH1 2.78Å; E112-R167 PolarHBondContact OE1-NH1 3.29Å; E112-V177 HydrophobicContact CB-CG1 3.65Å; E112-V177 HydrophobicContact CG-CG1 4.26Å; E112-V179 HydrophobicContact CB-CG2 4.21Å; E112-V179 HydrophobicContact CG-CG2 3.76Å
113F81.9Confident73.6Confident2 Ų250.8 Ų50.81%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-90113.5178.3179.9-104000111.1F103 M115 V177 Y178 L204F103-F113 HydrophobicContact CB-CE1 4.19Å; F103-F113 HydrophobicContact CB-CZ 4.23Å; F113-M115 HydrophobicContact CD1-CB 4.37Å; F113-M115 HydrophobicContact CE1-CB 3.85Å; F113-M115 HydrophobicContact CE1-CG 4.39Å; F113-V177 CarbonylContact O-C 3.56Å; F113-V177 WeakPolarHBondContact O-CA 3.4Å; F113-Y178 HydrophobicContact CD1-CD2 4.3Å; F113-Y178 PolarHBondContact N-O 3Å; F113-Y178 PolarHBondContact O-N 3.44Å; F113-L204 HydrophobicContact CD1-CD2 4.26Å; F113-L204 HydrophobicContact CE1-CB 4.3Å; F113-L204 HydrophobicContact CE1-CD2 4.2Å; F113-L204 HydrophobicContact CE2-CB 4.22Å; F113-L204 HydrophobicContact CZ-CB 3.9Å
114L82.8Confident71.6Confident22 Ų2258.1 Ų58.112%0.11530%0.304CS..EExtended strand (participates in β ladder)trans-92.699.5174-178.271.6000110.1G105 N106 V177G105-L114 CarbonylContact C-O 3.53Å; G105-L114 WeakPolarHBondContact CA-O 3.24Å; N106-L114 PolarHBondContact N-O 2.88Å; N106-L114 WeakPolarHBondContact O-CB 3.46Å; N106-L114 PolarHBondContact O-N 2.95Å; L114-V177 HydrophobicContact CD1-CG2 3.71Å
115M83.7Confident69.6Low0 Ų059.1 Ų59.10%031%0.314CS..EExtended strand (participates in β ladder)trans-70.8142176.6-176.5158.285.800111.7F103 F113 W144 P145 S175 R176 Y178 L220F103-M115 HydrophobicContact CB-CG 4.29Å; F103-M115 HydrophobicContact CB-SD 3.6Å; F103-M115 HydrophobicContact CD1-CE 4.04Å; F103-M115 HydrophobicContact CD1-CG 4.46Å; F103-M115 HydrophobicContact CD1-SD 3.09Å; F103-M115 WeakPolarHBondContact CD1-SD 3.38Å; F103-M115 HydrophobicContact CD2-SD 4.47Å; F103-M115 HydrophobicContact CE1-CE 4.21Å; F103-M115 HydrophobicContact CE1-SD 3.81Å; F103-M115 HydrophobicContact CG-SD 3.47Å; F103-M115 WeakPolarHBondContact CG-SD 3.3Å; F113-M115 HydrophobicContact CD1-CB 4.37Å; F113-M115 HydrophobicContact CE1-CB 3.85Å; F113-M115 HydrophobicContact CE1-CG 4.39Å; M115-W144 HydrophobicContact CB-CZ3 4.2Å; M115-W144 HydrophobicContact CE-CE3 3.19Å; M115-W144 HydrophobicContact CE-CH2 4.38Å; M115-W144 HydrophobicContact CE-CZ3 3.12Å; M115-W144 HydrophobicContact CG-CZ3 4.07Å; M115-W144 HydrophobicContact SD-CZ3 4.36Å; M115-P145 HydrophobicContact CE-CG 4.4Å; M115-S175 WeakPolarHBondContact O-CA 3.5Å; M115-S175 WeakPolarHBondContact O-CB 3.21Å; M115-R176 PolarHBondContact N-O 2.91Å; M115-R176 PolarHBondContact O-N 3.49Å; M115-Y178 HydrophobicContact CB-CD2 4.22Å; M115-Y178 HydrophobicContact CB-CE2 4.03Å; M115-Y178 HydrophobicContact CE-CE2 3.97Å; M115-Y178 HydrophobicContact SD-CE2 4.29Å; M115-L220 HydrophobicContact CE-CD1 4.29Å
116H81.9Confident67.8Low66 Ų6665.2 Ų65.231%0.30634%0.342SS..EExtended strand (participates in β ladder)trans-118.1142.6175.6-69.1-62000112.2N104N104-H116 PolarHBondContact O-N 3.34Å
117L79.1Confident65.9Low12 Ų1270.6 Ų70.66%0.06337%0.371CS..  trans-123.4146.2177.3-64.1175.8000112.4P142 W144 L174 L220 Y313 Y314L117-P142 HydrophobicContact CD1-CB 3.74Å; L117-P142 HydrophobicContact CD1-CG 3.81Å; L117-W144 HydrophobicContact CD1-CD2 4.45Å; L117-W144 HydrophobicContact CD1-CE3 4.28Å; L117-W144 HydrophobicContact CD1-CH2 3.32Å; L117-W144 HydrophobicContact CD1-CZ2 3.54Å; L117-W144 HydrophobicContact CD1-CZ3 3.75Å; L117-W144 HydrophobicContact CG-CH2 3.67Å; L117-W144 HydrophobicContact CG-CZ2 4.33Å; L117-W144 HydrophobicContact CG-CZ3 4.05Å; L117-L174 HydrophobicContact CB-CB 4.41Å; L117-L174 HydrophobicContact CB-CD2 4.4Å; L117-L174 PolarHBondContact N-O 3.33Å; L117-L220 HydrophobicContact CD1-CD2 3.44Å; L117-L220 VanDerWaalsContact CD1-CD2 3.44Å; L117-L220 HydrophobicContact CD2-CD2 3.88Å; L117-L220 HydrophobicContact CG-CD2 4.32Å; L117-Y313 HydrophobicContact CB-CD1 4.39Å; L117-Y313 HydrophobicContact CD1-CG 4.33Å; L117-Y314 CarbonylContact C-O 3.5Å; L117-Y314 VanDerWaalsContact CA-O 3.28Å; L117-Y314 WeakPolarHBondContact CA-O 3.31Å
118T74.9Confident64.2Low32 Ų3277.1 Ų77.120%0.19641%0.406CS..EExtended strand (participates in β ladder)trans-116.7123.6173.3-54.30000109.6Y313 Y314T118-Y313 CarbonylContact O-C 3.44Å; T118-Y313 WeakPolarHBondContact O-CA 3.44Å; T118-Y314 PolarHBondContact N-O 2.85Å; T118-Y314 PolarHBondContact O-N 3.46Å
119P69.1Low62.9Low26 Ų2680 Ų8017%0.16941%0.414CS..EExtended strand (participates in β ladder)trans-75.3149.9178.729.3-33000112.7L133 L174 L311 L312 Y313P119-L133 HydrophobicContact CB-CD1 4.4Å; P119-L133 HydrophobicContact CG-CD1 4.16Å; P119-L174 HydrophobicContact CG-CD1 4.45Å; P119-L311 HydrophobicContact CB-CD1 4.13Å; P119-L312 CarbonylContact C-O 3.59Å; P119-L312 WeakPolarHBondContact CA-O 3.37Å; P119-Y313 HydrophobicContact CB-CD1 3.99Å; P119-Y313 HydrophobicContact CB-CE1 3.9Å
120L64.3Low61.9Low58 Ų5878.9 Ų78.930%0.30441%0.41SS..EExtended strand (participates in β ladder)trans-117.9129.7169.2-173.186.3000109.8L312 Y314L120-L312 HydrophobicContact CB-CB 4.5Å; L120-L312 PolarHBondContact N-O 2.77Å; L120-Y314 HydrophobicContact CB-CD2 3.94Å; L120-Y314 HydrophobicContact CB-CE2 3.49Å; L120-Y314 VanDerWaalsContact CB-CE2 3.49Å; L120-Y314 HydrophobicContact CD1-CE2 4.22Å; L120-Y314 HydrophobicContact CD2-CE2 3.76Å; L120-Y314 HydrophobicContact CG-CE2 4.01Å
121L58.9Low60.8Low75 Ų7580.8 Ų80.839%0.39342%0.415SS..EExtended strand (participates in β ladder)trans-111.1146179-70.9165.5000110.7N123 L133 L311L121-N123 PolarHBondContact O-N 2.85Å; L121-N123 VanDerWaalsContact O-N 3.12Å; L121-L133 HydrophobicContact CD1-CD1 3.77Å; L121-L133 HydrophobicContact CD2-CD1 4.38Å; L121-L133 HydrophobicContact CG-CD1 4.26Å; L121-L311 HydrophobicContact CD2-CD1 3.55Å; L121-L311 HydrophobicContact CG-CD1 4.23Å
122K55.1Low59.6Low182 Ų18281.3 Ų81.379%0.79141%0.411SS*.SBendtrans-63.4-14.3-178.3-163.9174.6-178.71770114.7
123N49.9Very low58.2Low124 Ų12481.8 Ų81.866%0.66342%0.415SS*.SBendtrans-118.4123.7-179-73.7-8.3000110.2L121 S125L121-N123 PolarHBondContact O-N 2.85Å; L121-N123 VanDerWaalsContact O-N 3.12Å; N123-S125 PolarHBondContact O-N 3.42Å
124D44.2Very low56.5Low155 Ų15586.1 Ų86.183%0.82943%0.434SS*.  trans-67.346.1-179.1-74.6-38.8000114.6Q126D124-Q126 PolarHBondContact O-N 3.14Å
125S42.8Very low54.8Low59 Ų5991.4 Ų91.441%0.41346%0.462SS..  trans-93.974.816659.60000109.4N123 N127 Y129N123-S125 PolarHBondContact O-N 3.42Å; S125-N127 PolarHBondContact O-N 2.85Å; S125-Y129 WeakPolarHBondContact O-CD2 3.39Å; S125-Y129 WeakPolarHBondContact OG-CE2 3.29Å
126Q45.2Very low53Low130 Ų13096.7 Ų96.761%0.60749%0.49SS*.THydrogen-bonded Turntrans-73.1-6-165.9-103.8-169.9-1100117.4D124D124-Q126 PolarHBondContact O-N 3.14Å
127N42.1Very low51.3Low141 Ų14196.8 Ų96.875%0.75451%0.509SS*.THydrogen-bonded Turntrans-112.72.4-157.2-79.2-3.6000119.7S125S125-N127 PolarHBondContact O-N 2.85Å
128N39.5Very low50Low150 Ų150100.3 Ų100.380%0.80253%0.528SS*.SBendtrans-15520.7174.9-92.2-29.8000116.9
129Y45.4Very low49.3Very low113 Ų113104.1 Ų104.144%0.44355%0.546SS..THydrogen-bonded Turntrans-96.1-1.7-162.6-81.2-93.1000118S125 E131 T132 L133S125-Y129 WeakPolarHBondContact O-CD2 3.39Å; S125-Y129 WeakPolarHBondContact OG-CE2 3.29Å; Y129-E131 VanDerWaalsContact C-N 3.26Å; Y129-E131 PolarHBondContact O-N 3.39Å; Y129-T132 WeakPolarHBondContact CA-OG1 3.47Å; Y129-T132 WeakPolarHBondContact CD1-OG1 3.47Å; Y129-T132 PolarHBondContact O-N 2.92Å; Y129-T132 PolarHBondContact O-OG1 3.26Å; Y129-T132 VanDerWaalsContact O-OG1 3.07Å; Y129-L133 PolarHBondContact O-N 2.97Å
130M45.7Very low49.2Very low129 Ų129105 Ų10564%0.63555%0.55SS*.THydrogen-bonded Turntrans-58.1-34.9178.7-82.7-91.3-131.800112.9F134M130-F134 WeakPolarHBondContact O-CD2 3.49Å
131E44.1Very low49.6Very low164 Ų164105.8 Ų105.877%0.76656%0.558SS**THydrogen-bonded Turntrans-82.7-35.4177.6-79.8-176.4152.600113.2Y129Y129-E131 VanDerWaalsContact C-N 3.26Å; Y129-E131 PolarHBondContact O-N 3.39Å
132T43.7Very low50.4Low45 Ų45102.7 Ų102.728%0.27654%0.542SS..Hα-helixtrans-75.7-26.9-179.142.60000113.5Y129 F134 N135 D136Y129-T132 WeakPolarHBondContact CA-OG1 3.47Å; Y129-T132 WeakPolarHBondContact CD1-OG1 3.47Å; Y129-T132 PolarHBondContact O-N 2.92Å; Y129-T132 PolarHBondContact O-OG1 3.26Å; Y129-T132 VanDerWaalsContact O-OG1 3.07Å; T132-F134 PolarHBondContact O-N 3.49Å; T132-N135 PolarHBondContact O-N 3.37Å; T132-D136 WeakPolarHBondContact O-CB 3.43Å; T132-D136 PolarHBondContact O-N 3.44Å
133L47.1Very low51.5Low33 Ų3395.1 Ų95.117%0.17351%0.512CS..Hα-helixtrans-59.6-28176.7-126.8143.9000112.4P119 L121 Y129 L311P119-L133 HydrophobicContact CB-CD1 4.4Å; P119-L133 HydrophobicContact CG-CD1 4.16Å; L121-L133 HydrophobicContact CD1-CD1 3.77Å; L121-L133 HydrophobicContact CD2-CD1 4.38Å; L121-L133 HydrophobicContact CG-CD1 4.26Å; Y129-L133 PolarHBondContact O-N 2.97Å; L133-L311 HydrophobicContact CD2-CD1 3.98Å; L133-L311 HydrophobicContact CD2-CD2 3.9Å
134F47.8Very low53.1Low93 Ų9389.9 Ų89.941%0.40848%0.483SS..Hα-helixtrans-88-22.8175.5-67-63.1000113.8M130 T132 K173M130-F134 WeakPolarHBondContact O-CD2 3.49Å; T132-F134 PolarHBondContact O-N 3.49Å; F134-K173 HydrophobicContact CD1-CD 3.64Å; F134-K173 HydrophobicContact CE1-CB 3.46Å; F134-K173 VanDerWaalsContact CE1-CB 3.46Å; F134-K173 HydrophobicContact CE1-CD 3.35Å; F134-K173 HydrophobicContact CE1-CG 3.97Å; F134-K173 HydrophobicContact CZ-CB 3.74Å; F134-K173 HydrophobicContact CZ-CD 4.38Å
135N46.6Very low55.1Low133 Ų13382.5 Ų82.571%0.71144%0.444SS*.Hα-helixtrans-85.7-35.8176.6-73.8-17000112.2T132 G137T132-N135 PolarHBondContact O-N 3.37Å; N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.24Å; N135-G137 VanDerWaalsContact O-N 3.12Å
136D44.6Very low57.2Low111 Ų11183.1 Ų83.159%0.59444%0.442SS*.SBendtrans-89.259.1-177.9-72-20.7000112.2T132 L138T132-D136 WeakPolarHBondContact O-CB 3.43Å; T132-D136 PolarHBondContact O-N 3.44Å; D136-L138 PolarHBondContact O-N 3.43Å
137G46.6Very low59.1Low68 Ų6877.6 Ų77.670%0.70142%0.417SS*.SBendtrans60.3-11.7151.800000121.1N135 N139N135-G137 VanDerWaalsContact C-N 3.32Å; N135-G137 PolarHBondContact O-N 3.24Å; N135-G137 VanDerWaalsContact O-N 3.12Å; G137-N139 PolarHBondContact O-N 3.01Å; G137-N139 VanDerWaalsContact O-N 3.11Å
138L51.8Low61.2Low86 Ų8670.9 Ų70.945%0.4538%0.381SS..  trans-87.672.6178.5-91.6121.7000110.6D136 I140D136-L138 PolarHBondContact O-N 3.43Å; L138-I140 HydrophobicContact CD2-CD1 3.89Å; L138-I140 HydrophobicContact CD2-CG1 4.37Å; L138-I140 PolarHBondContact O-N 3.2Å
139N60.2Low63.4Low111 Ų11166.2 Ų66.259%0.59435%0.354SS*.  trans-77.246.7173.5-89.4-39.6000112.6G137 P141 K173G137-N139 PolarHBondContact O-N 3.01Å; G137-N139 VanDerWaalsContact O-N 3.11Å; N139-P141 WeakPolarHBondContact O-CD 3.43Å; N139-K173 PolarHBondContact OD1-NZ 3.16Å
140I67Low65.2Low46 Ų4666.1 Ų66.124%0.23636%0.357CS..PPolyproline II helixtrans-92.2116.3178.2-40.8178.9000110.1L138 N216 L309 Y313L138-I140 HydrophobicContact CD2-CD1 3.89Å; L138-I140 HydrophobicContact CD2-CG1 4.37Å; L138-I140 PolarHBondContact O-N 3.2Å; I140-N216 WeakPolarHBondContact CG2-O 3.19Å; I140-L309 HydrophobicContact CB-CD2 3.94Å; I140-L309 HydrophobicContact CD1-CD2 3.88Å; I140-L309 HydrophobicContact CD1-CG 3.73Å; I140-L309 HydrophobicContact CG1-CD2 4.5Å; I140-L309 HydrophobicContact CG2-CD2 3.18Å; I140-L309 HydrophobicContact CG2-CG 4.06Å; I140-Y313 PolarHBondContact O-OH 3Å
141P73.2Confident67Low73 Ų7360.5 Ų60.547%0.47433%0.331SS..PPolyproline II helixtrans-74.1154.4-17730-35000112.2N139 C217 A218N139-P141 WeakPolarHBondContact O-CD 3.43Å; P141-C217 CarbonylContact O-C 3.58Å; P141-C217 WeakPolarHBondContact O-CA 3.4Å; P141-C217 VanDerWaalsContact O-CB 3.3Å; P141-C217 WeakPolarHBondContact O-CB 3.45Å; P141-A218 PolarHBondContact O-N 3.44Å
142P75.7Confident68.7Low10 Ų1056.7 Ų56.77%0.06532%0.318CS..BIsolated β-bridgetrans-64.3147.6171.3-1122000112.5L117 W144 A218 L220 Y313L117-P142 HydrophobicContact CD1-CB 3.74Å; L117-P142 HydrophobicContact CD1-CG 3.81Å; P142-W144 HydrophobicContact CB-CD2 4.39Å; P142-W144 HydrophobicContact CB-CG 4.41Å; P142-W144 HydrophobicContact CB-CZ2 4.4Å; P142-W144 HydrophobicContact CG-CZ2 3.91Å; P142-W144 PolarHBondContact O-N 2.82Å; P142-A218 CarbonylContact C-O 3.27Å; P142-L220 HydrophobicContact CB-CD2 3.77Å; P142-Y313 HydrophobicContact CB-CD2 3.69Å; P142-Y313 HydrophobicContact CB-CE2 3.7Å; P142-Y313 HydrophobicContact CB-CG 4.36Å; P142-Y313 HydrophobicContact CG-CD2 3.98Å; P142-Y313 HydrophobicContact CG-CE1 4.39Å; P142-Y313 HydrophobicContact CG-CE2 3.64Å; P142-Y313 HydrophobicContact CG-CG 4.45Å
143C78.5Confident70.5Confident24 Ų2454.8 Ų54.816%0.16231%0.307CS..  trans-7676.6168.9-64.60000110C217 A218 L220C143-C217 WeakPolarHBondContact CA-SG 3.3Å; C143-C217 HydrophobicContact CB-CB 3.98Å; C143-C217 WeakPolarHBondContact CB-SG 3.34Å; C143-C217 WeakPolarHBondContact SG-CB 3.43Å; C143-C217 PolarHBondContact SG-O 3.33Å; C143-C217 CovalentContact SG-SG 2.04Å; C143-C217 PolarHBondContact SG-SG 3.04Å; C143-A218 WeakPolarHBondContact CB-O 3.5Å; C143-A218 PolarHBondContact N-O 3.42Å; C143-L220 VanDerWaalsContact O-CD1 3.25Å; C143-L220 WeakPolarHBondContact O-CD1 3.4Å; C143-L220 WeakPolarHBondContact O-CG 3.38Å
144W83.5Confident71.7Confident14 Ų1458.8 Ų58.85%0.05333%0.329CS..  trans-67.6135.6178.3-67.6100.9000112M115 L117 P142 S175 R176M115-W144 HydrophobicContact CB-CZ3 4.2Å; M115-W144 HydrophobicContact CE-CE3 3.19Å; M115-W144 HydrophobicContact CE-CH2 4.38Å; M115-W144 HydrophobicContact CE-CZ3 3.12Å; M115-W144 HydrophobicContact CG-CZ3 4.07Å; M115-W144 HydrophobicContact SD-CZ3 4.36Å; L117-W144 HydrophobicContact CD1-CD2 4.45Å; L117-W144 HydrophobicContact CD1-CE3 4.28Å; L117-W144 HydrophobicContact CD1-CH2 3.32Å; L117-W144 HydrophobicContact CD1-CZ2 3.54Å; L117-W144 HydrophobicContact CD1-CZ3 3.75Å; L117-W144 HydrophobicContact CG-CH2 3.67Å; L117-W144 HydrophobicContact CG-CZ2 4.33Å; L117-W144 HydrophobicContact CG-CZ3 4.05Å; P142-W144 HydrophobicContact CB-CD2 4.39Å; P142-W144 HydrophobicContact CB-CG 4.41Å; P142-W144 HydrophobicContact CB-CZ2 4.4Å; P142-W144 HydrophobicContact CG-CZ2 3.91Å; P142-W144 PolarHBondContact O-N 2.82Å; W144-S175 VanDerWaalsContact CH2-C 3.5Å; W144-R176 HydrophobicContact CD2-CB 3.73Å; W144-R176 HydrophobicContact CD2-CG 4.25Å; W144-R176 HydrophobicContact CE3-CB 3.33Å; W144-R176 HydrophobicContact CE3-CG 4.08Å; W144-R176 VanDerWaalsContact CG-CD 3.46Å; W144-R176 HydrophobicContact CH2-CB 3.76Å; W144-R176 HydrophobicContact CZ2-CB 4.09Å; W144-R176 HydrophobicContact CZ3-CB 3.33Å
145P86.2Confident72.5Confident0 Ų056.9 Ų56.90%032%0.321CS..EExtended strand (participates in β ladder)trans-70.4139.5172.928.6-32.8000110.5F103 M115 L148 Y178 I209 E210 T211F103-P145 HydrophobicContact CZ-CG 4.49Å; M115-P145 HydrophobicContact CE-CG 4.4Å; P145-L148 HydrophobicContact CB-CD2 3.78Å; P145-L148 HydrophobicContact CG-CD2 3.42Å; P145-L148 VanDerWaalsContact CG-CD2 3.42Å; P145-Y178 WeakPolarHBondContact CD-OH 3.32Å; P145-Y178 WeakPolarHBondContact CG-OH 3.49Å; P145-Y178 VanDerWaalsContact O-CE1 3.28Å; P145-Y178 WeakPolarHBondContact O-CE1 3.47Å; P145-Y178 PolarHBondContact O-OH 2.9Å; P145-I209 HydrophobicContact CB-CB 4.03Å; P145-I209 HydrophobicContact CB-CG2 4.4Å; P145-E210 CarbonylContact C-O 3.52Å; P145-E210 VanDerWaalsContact CA-O 3.25Å; P145-E210 WeakPolarHBondContact CA-O 3.14Å; P145-T211 HydrophobicContact CB-CG2 4.21Å
146L86Confident73Confident71 Ų7156.6 Ų56.637%0.37232%0.32SS..EExtended strand (participates in β ladder)trans-74.6-44.7174.7-69.2175.9000111.1Q166 E210 T212L146-Q166 WeakPolarHBondContact O-CB 3.02Å; L146-Q166 PolarHBondContact O-N 3.46Å; L146-E210 PolarHBondContact N-O 3.06Å; L146-T212 HydrophobicContact CD1-CG2 3.51Å; L146-T212 HydrophobicContact CD2-CG2 3.96Å; L146-T212 HydrophobicContact CG-CG2 3.78Å
147V85.1Confident73.3Confident15 Ų1556.7 Ų56.79%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-131.2130.7-175.2-173.30000108.3K149 Y164 Y165 I209 E210V147-K149 HydrophobicContact CG1-CG 3.82Å; V147-Y164 CarbonylContact C-O 3.58Å; V147-Y164 WeakPolarHBondContact CA-O 3.31Å; V147-Y165 HydrophobicContact CB-CD1 4.48Å; V147-Y165 HydrophobicContact CG1-CD1 4.09Å; V147-Y165 HydrophobicContact CG1-CE1 3.76Å; V147-Y165 HydrophobicContact CG2-CD1 3.81Å; V147-Y165 HydrophobicContact CG2-CE1 3.96Å; V147-I209 WeakPolarHBondContact O-CA 3.35Å; V147-E210 HydrophobicContact CB-CB 4.09Å; V147-E210 HydrophobicContact CB-CG 4.27Å; V147-E210 HydrophobicContact CG2-CB 4.48Å; V147-E210 WeakPolarHBondContact CG2-OE2 3.32Å; V147-E210 PolarHBondContact O-N 3.33Å
148L86.3Confident73.5Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-105.6125.2167.4-46.4171.8000107.4F103 P145 C151 N163 Y164 Y178 L204 C206 I209F103-L148 HydrophobicContact CD2-CD1 4.24Å; F103-L148 HydrophobicContact CD2-CD2 4.26Å; F103-L148 HydrophobicContact CE2-CD1 4.37Å; F103-L148 HydrophobicContact CE2-CD2 3.58Å; F103-L148 HydrophobicContact CZ-CD2 3.9Å; P145-L148 HydrophobicContact CB-CD2 3.78Å; P145-L148 HydrophobicContact CG-CD2 3.42Å; P145-L148 VanDerWaalsContact CG-CD2 3.42Å; L148-C151 WeakPolarHBondContact CB-SG 3.27Å; L148-N163 CarbonylContact O-C 3.59Å; L148-N163 WeakPolarHBondContact O-CA 3.45Å; L148-Y164 PolarHBondContact N-O 3.36Å; L148-Y164 PolarHBondContact O-N 2.94Å; L148-Y178 HydrophobicContact CD1-CD1 3.91Å; L148-Y178 HydrophobicContact CD1-CE1 4.06Å; L148-Y178 HydrophobicContact CD1-CG 4.2Å; L148-Y178 HydrophobicContact CG-CD1 4.13Å; L148-Y178 HydrophobicContact CG-CE1 4.01Å; L148-L204 HydrophobicContact CD1-CD2 3.9Å; L148-C206 HydrophobicContact CB-CB 4.3Å; L148-I209 HydrophobicContact CD2-CG2 3.68Å
149K85.8Confident73.8Confident51 Ų5151.6 Ų51.622%0.22229%0.286CS..EExtended strand (participates in β ladder)trans-112.8148.6-176.2-62.8179.7-176169.60112.3V147 C151 K162 N163 V207 E208 E210V147-K149 HydrophobicContact CG1-CG 3.82Å; K149-C151 VanDerWaalsContact C-N 3.34Å; K149-C151 PolarHBondContact O-N 2.99Å; K149-K162 CarbonylContact C-O 3.5Å; K149-N163 WeakPolarHBondContact CA-OD1 3.43Å; K149-V207 PolarHBondContact O-N 3.33Å; K149-E208 HydrophobicContact CB-CB 4.2Å; K149-E208 HydrophobicContact CD-CG 4.45Å; K149-E208 WeakPolarHBondContact CD-OE2 3.44Å; K149-E208 PolarHBondContact N-O 3.5Å; K149-E208 IonicContact NZ-OE2 3.86Å; K149-E208 PolarHBondContact O-N 3.32Å; K149-E210 WeakPolarHBondContact CE-OE1 3.27Å; K149-E210 IonicContact NZ-OE1 2.82Å; K149-E210 PolarHBondContact NZ-OE1 3.08Å
150Q83.8Confident73.6Confident112 Ų11251.8 Ų51.852%0.52330%0.296SS..SBendtrans50.252.6179.2-56.8-179.7-2.900112.5K162 N163 V207Q150-K162 CarbonylContact C-O 3.56Å; Q150-K162 WeakPolarHBondContact CA-O 3.45Å; Q150-K162 PolarHBondContact N-O 2.9Å; Q150-N163 PolarHBondContact N-OD1 2.99Å; Q150-V207 HydrophobicContact CB-CB 4.01Å; Q150-V207 HydrophobicContact CB-CG2 3.8Å
151C83.8Confident73.5Confident11 Ų1152.8 Ų52.87%0.07430%0.299CS..  trans-82.5144.4-179.1-59.20000112.2L148 K149 K162 Y164 L204 S205 C206L148-C151 WeakPolarHBondContact CB-SG 3.27Å; K149-C151 VanDerWaalsContact C-N 3.34Å; K149-C151 PolarHBondContact O-N 2.99Å; C151-K162 PolarHBondContact N-O 3.28Å; C151-Y164 HydrophobicContact CB-CD2 3.87Å; C151-Y164 HydrophobicContact CB-CE2 4.02Å; C151-L204 HydrophobicContact CB-CD1 3.8Å; C151-L204 HydrophobicContact CB-CD2 4.08Å; C151-L204 HydrophobicContact CB-CG 3.86Å; C151-S205 CarbonylContact C-O 3.59Å; C151-S205 VanDerWaalsContact CA-O 3.31Å; C151-S205 WeakPolarHBondContact CA-O 3.38Å; C151-C206 HydrophobicContact CB-CB 4.13Å; C151-C206 WeakPolarHBondContact CB-SG 3.33Å; C151-C206 WeakPolarHBondContact SG-CB 3.17Å; C151-C206 CovalentContact SG-SG 2.04Å; C151-C206 PolarHBondContact SG-SG 2.85Å
152T80Confident73.5Confident83 Ų8356.8 Ų56.851%0.50931%0.309SS..EExtended strand (participates in β ladder)trans-129.7137.1173.154.90000108.9S205T152-S205 PolarHBondContact N-O 3.04Å; T152-S205 PolarHBondContact O-N 3.05Å; T152-S205 PolarHBondContact OG1-O 3.45Å
153S80.1Confident73.8Confident6 Ų658.9 Ų58.94%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-99.9148.9177.2177.40000111E155 N156 I202S153-E155 PolarHBondContact O-N 3.46Å; S153-E155 PolarHBondContact OG-N 3.1Å; S153-E155 PolarHBondContact OG-O 3.49Å; S153-N156 PolarHBondContact O-OD1 3.5Å; S153-N156 VanDerWaalsContact O-OD1 3.05Å; S153-I202 WeakPolarHBondContact OG-CG2 3.5Å
154N72.7Confident74Confident116 Ų11658.3 Ų58.362%0.6231%0.314SS*.SBendtrans-60.6-23.4166.5-72.2-2.2000111.9Q203N154-Q203 PolarHBondContact N-O 3.3Å; N154-Q203 PolarHBondContact ND2-OE1 3.21Å
155E65Low74Confident53 Ų5360.2 Ų60.225%0.24832%0.322CS..  trans-113.579.5175.8-52.8-146.2137.300110.3S153 S157 I158 K200S153-E155 PolarHBondContact O-N 3.46Å; S153-E155 PolarHBondContact OG-N 3.1Å; S153-E155 PolarHBondContact OG-O 3.49Å; E155-S157 PolarHBondContact O-N 2.88Å; E155-I158 HydrophobicContact CB-CB 4.36Å; E155-I158 HydrophobicContact CB-CD1 3.92Å; E155-I158 HydrophobicContact CB-CG1 3.92Å; E155-I158 PolarHBondContact O-N 2.98Å; E155-I158 WeakPolarHBondContact OE2-CD1 3.3Å; E155-K200 VanDerWaalsContact CD-CE 3.48Å; E155-K200 WeakPolarHBondContact OE1-CE 3.31Å; E155-K200 IonicContact OE1-NZ 3.75Å; E155-K200 PolarHBondContact OE1-NZ 2.95Å; E155-K200 WeakPolarHBondContact OE2-CD 3.43Å; E155-K200 WeakPolarHBondContact OE2-CE 3.43Å; E155-K200 IonicContact OE2-NZ 2.62Å; E155-K200 PolarHBondContact OE2-NZ 3.42Å
156N57.8Low73.8Confident128 Ų12863.1 Ų63.168%0.68434%0.336SS*.THydrogen-bonded Turntrans-53.3-24.5176.7-74-14.8000113.3S153 I158S153-N156 PolarHBondContact O-OD1 3.5Å; S153-N156 VanDerWaalsContact O-OD1 3.05Å; N156-I158 PolarHBondContact O-N 3.29Å
157S51.5Low73.2Confident113 Ų11366.3 Ų66.379%0.7934%0.343SS*.THydrogen-bonded Turntrans-67.4-13.8176.751.40000114E155E155-S157 PolarHBondContact O-N 2.88Å
158I50.8Low72.3Confident33 Ų3367.8 Ų67.817%0.16936%0.357CS..THydrogen-bonded Turntrans-115.9-25.8-169-49.8-168.8000112.6I107 E155 N156 F196 I202I107-I158 HydrophobicContact CD1-CB 4.41Å; I107-I158 HydrophobicContact CD1-CG2 3.33Å; E155-I158 HydrophobicContact CB-CB 4.36Å; E155-I158 HydrophobicContact CB-CD1 3.92Å; E155-I158 HydrophobicContact CB-CG1 3.92Å; E155-I158 PolarHBondContact O-N 2.98Å; E155-I158 WeakPolarHBondContact OE2-CD1 3.3Å; N156-I158 PolarHBondContact O-N 3.29Å; I158-F196 HydrophobicContact CG2-CD1 3.44Å; I158-F196 VanDerWaalsContact CG2-CD1 3.44Å; I158-F196 HydrophobicContact CG2-CE1 3.4Å; I158-F196 VanDerWaalsContact CG2-CE1 3.4Å; I158-I202 HydrophobicContact CB-CD1 4.49Å; I158-I202 HydrophobicContact CD1-CD1 4.23Å; I158-I202 HydrophobicContact CG2-CD1 4.13Å
159I56.4Low70.7Confident14 Ų1475.5 Ų75.57%0.07239%0.39CS..  trans-134.8105.7-169.2-64.4-171.1000108.1I107 Y164 I202 L204I107-I159 HydrophobicContact CD1-CD1 3.84Å; I107-I159 HydrophobicContact CD1-CG1 3.74Å; I159-Y164 HydrophobicContact CG2-CE2 3.97Å; I159-Y164 WeakPolarHBondContact CG2-OH 3.36Å; I159-I202 HydrophobicContact CD1-CD1 4.42Å; I159-I202 HydrophobicContact CD1-CG2 3.8Å; I159-L204 HydrophobicContact CD1-CD1 4.18Å; I159-L204 HydrophobicContact CG2-CD1 3.9Å
160S57.3Low69.1Low115 Ų11576.1 Ų76.180%0.80440%0.396SS*.  trans-104.4-10.1179.4650000114.5
161E64.9Low67.4Low66 Ų6674.4 Ų74.431%0.30840%0.397SS..  trans-82.7135.8-171.6-59.2-140.9-130.200111.4Y164 G180 D181E161-Y164 HydrophobicContact CB-CE2 4.23Å; E161-Y164 VanDerWaalsContact O-CE2 3.26Å; E161-Y164 WeakPolarHBondContact O-CE2 3.39Å; E161-G180 VanDerWaalsContact OE1-C 3.32Å; E161-G180 VanDerWaalsContact OE1-CA 3.28Å; E161-G180 WeakPolarHBondContact OE1-CA 3.49Å; E161-G180 WeakPolarHBondContact OE2-CA 3.4Å; E161-D181 PolarHBondContact OE1-N 3.46Å; E161-D181 VanDerWaalsContact OE1-N 3.14Å; E161-D181 PolarHBondContact OE2-N 3.18Å; E161-D181 VanDerWaalsContact OE2-N 3.16Å
162K71.9Confident65.8Low158 Ų15880.8 Ų80.869%0.68743%0.425SS*.SBendtrans-79.5-30.1-178.7-70.4-176.8-179.9176.50111.7K149 Q150 C151K149-K162 CarbonylContact C-O 3.5Å; Q150-K162 CarbonylContact C-O 3.56Å; Q150-K162 WeakPolarHBondContact CA-O 3.45Å; Q150-K162 PolarHBondContact N-O 2.9Å; C151-K162 PolarHBondContact N-O 3.28Å
163N81.7Confident64.9Low53 Ų5381.6 Ų81.628%0.28342%0.422SS..EExtended strand (participates in β ladder)trans-121.2149.4-177.6-60.7-22.8000108.6L148 K149 Q150 Y165 G180L148-N163 CarbonylContact O-C 3.59Å; L148-N163 WeakPolarHBondContact O-CA 3.45Å; K149-N163 WeakPolarHBondContact CA-OD1 3.43Å; Q150-N163 PolarHBondContact N-OD1 2.99Å; N163-Y165 HydrophobicContact CB-CE2 3.91Å; N163-G180 CarbonylContact O-C 3.49Å; N163-G180 WeakPolarHBondContact O-CA 3.36Å
164Y82.7Confident64.6Low13 Ų1382.7 Ų82.75%0.05143%0.427CS..EExtended strand (participates in β ladder)trans-132.3126.6177.4-78.3-87.5000109.5V147 L148 C151 I159 E161 V179 L204V147-Y164 CarbonylContact C-O 3.58Å; V147-Y164 WeakPolarHBondContact CA-O 3.31Å; L148-Y164 PolarHBondContact N-O 3.36Å; L148-Y164 PolarHBondContact O-N 2.94Å; C151-Y164 HydrophobicContact CB-CD2 3.87Å; C151-Y164 HydrophobicContact CB-CE2 4.02Å; I159-Y164 HydrophobicContact CG2-CE2 3.97Å; I159-Y164 WeakPolarHBondContact CG2-OH 3.36Å; E161-Y164 HydrophobicContact CB-CE2 4.23Å; E161-Y164 VanDerWaalsContact O-CE2 3.26Å; E161-Y164 WeakPolarHBondContact O-CE2 3.39Å; Y164-V179 CarbonylContact C-O 3.59Å; Y164-V179 WeakPolarHBondContact CA-O 3.48Å; Y164-L204 HydrophobicContact CD2-CD2 3.9Å; Y164-L204 HydrophobicContact CE2-CD1 4.06Å; Y164-L204 HydrophobicContact CE2-CD2 4.23Å; Y164-L204 HydrophobicContact CG-CD2 4.29Å
165Y83.5Confident64.8Low53 Ų5378 Ų7821%0.20840%0.403CS..EExtended strand (participates in β ladder)trans-107.4137.4-178.8-55.8-86000109.6V147 N163 R167 Y178 V179 G180 E182V147-Y165 HydrophobicContact CB-CD1 4.48Å; V147-Y165 HydrophobicContact CG1-CD1 4.09Å; V147-Y165 HydrophobicContact CG1-CE1 3.76Å; V147-Y165 HydrophobicContact CG2-CD1 3.81Å; V147-Y165 HydrophobicContact CG2-CE1 3.96Å; N163-Y165 HydrophobicContact CB-CE2 3.91Å; Y165-R167 PolarHBondContact O-N 3.26Å; Y165-Y178 CarbonylContact O-C 3.49Å; Y165-Y178 WeakPolarHBondContact O-CA 3.27Å; Y165-V179 PolarHBondContact N-O 3.4Å; Y165-V179 PolarHBondContact O-N 2.91Å; Y165-G180 WeakPolarHBondContact CD2-O 3.07Å; Y165-G180 WeakPolarHBondContact CE2-O 3.48Å; Y165-E182 HydrophobicContact CD1-CG 3.68Å; Y165-E182 WeakPolarHBondContact CD1-OE1 2.82Å; Y165-E182 HydrophobicContact CD2-CB 4.48Å; Y165-E182 HydrophobicContact CD2-CG 3.51Å; Y165-E182 HydrophobicContact CE1-CG 3.5Å; Y165-E182 VanDerWaalsContact CE1-CG 3.5Å; Y165-E182 WeakPolarHBondContact CE1-OE1 3.37Å; Y165-E182 HydrophobicContact CE2-CB 4.42Å; Y165-E182 HydrophobicContact CE2-CG 3.29Å; Y165-E182 HydrophobicContact CG-CG 3.7Å
166Q82.4Confident65.5Low62 Ų6277.5 Ų77.529%0.2940%0.399SS..EExtended strand (participates in β ladder)trans-67.8124.4174.6176.5-167.6-33.200111.1L146 R176 Y178L146-Q166 WeakPolarHBondContact O-CB 3.02Å; L146-Q166 PolarHBondContact O-N 3.46Å; Q166-R176 VanDerWaalsContact CD-CD 3.43Å; Q166-R176 VanDerWaalsContact CD-CZ 3.5Å; Q166-R176 HydrophobicContact CG-CG 3.89Å; Q166-Y178 HydrophobicContact CB-CD1 4.29Å; Q166-Y178 HydrophobicContact CB-CE1 3.96Å
167R73.3Confident66.6Low137 Ų13772 Ų7252%0.51737%0.369SS..EExtended strand (participates in β ladder)trans-103.3-50.9-177.1-172.3176.3-171.3-177.214.7115.1E112 Y165 V177 V179E112-R167 WeakPolarHBondContact OE1-CD 3.3Å; E112-R167 IonicContact OE1-CZ 3.64Å; E112-R167 IonicContact OE1-NE 2.75Å; E112-R167 IonicContact OE1-NH1 2.78Å; E112-R167 PolarHBondContact OE1-NH1 3.29Å; Y165-R167 PolarHBondContact O-N 3.26Å; R167-V177 PolarHBondContact N-O 3.29Å; R167-V179 HydrophobicContact CB-CB 4.48Å; R167-V179 HydrophobicContact CB-CG2 3.81Å; R167-V179 VanDerWaalsContact CD-CG2 3.45Å; R167-V179 HydrophobicContact CG-CG2 4.27Å
168A66.1Low68Low47 Ų4766.6 Ų66.639%0.38833%0.332SS..EExtended strand (participates in β ladder)trans-143.8155.4-167.500000114.3
169F52.9Low69.5Low161 Ų16166.1 Ų66.171%0.70633%0.33SS*.EExtended strand (participates in β ladder)trans-95.4120.2178.1179.5-100.3000110.1
170N52.8Low70.3Confident65 Ų6565.7 Ų65.735%0.34833%0.33SS..  trans-96.9126.8160.9-165.8-16.9000108H172N170-H172 PolarHBondContact O-N 3.48Å; N170-H172 PolarHBondContact OD1-CD2 2.94Å; N170-H172 PolarHBondContact OD1-N 3.37Å
171S47.9Very low70.9Confident76 Ų7663.1 Ų63.153%0.53131%0.307SS..SBendtrans-67.5-10.2-179.652.60000113.4K173S171-K173 VanDerWaalsContact O-CG 3.31Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 2.85Å; S171-K173 VanDerWaalsContact O-N 3.15Å
172H49.9Very low70.4Confident145 Ų14566.2 Ų66.267%0.67132%0.322SS*.SBendtrans-79.294.4169-64.4-69.7000110.2N170 L174 S175N170-H172 PolarHBondContact O-N 3.48Å; N170-H172 PolarHBondContact OD1-CD2 2.94Å; N170-H172 PolarHBondContact OD1-N 3.37Å; H172-L174 VanDerWaalsContact C-N 3.35Å; H172-L174 PolarHBondContact O-N 3.42Å; H172-S175 PolarHBondContact O-OG 3.32Å
173K62.1Low69.4Low100 Ų10064.9 Ų64.944%0.43532%0.322SS..THydrogen-bonded Turntrans-60.614.4-149.9-71.8176.7174.8176.60121F134 N139 S171F134-K173 HydrophobicContact CD1-CD 3.64Å; F134-K173 HydrophobicContact CE1-CB 3.46Å; F134-K173 VanDerWaalsContact CE1-CB 3.46Å; F134-K173 HydrophobicContact CE1-CD 3.35Å; F134-K173 HydrophobicContact CE1-CG 3.97Å; F134-K173 HydrophobicContact CZ-CB 3.74Å; F134-K173 HydrophobicContact CZ-CD 4.38Å; N139-K173 PolarHBondContact OD1-NZ 3.16Å; S171-K173 VanDerWaalsContact O-CG 3.31Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 2.85Å; S171-K173 VanDerWaalsContact O-N 3.15Å
174L72.6Confident67.7Low29 Ų2967 Ų6715%0.15233%0.33CS..THydrogen-bonded Turntrans-13321.5178-66.1172.8000113.8L117 P119 H172 Y313L117-L174 HydrophobicContact CB-CB 4.41Å; L117-L174 HydrophobicContact CB-CD2 4.4Å; L117-L174 PolarHBondContact N-O 3.33Å; P119-L174 HydrophobicContact CG-CD1 4.45Å; H172-L174 VanDerWaalsContact C-N 3.35Å; H172-L174 PolarHBondContact O-N 3.42Å; L174-Y313 HydrophobicContact CD2-CD1 3.75Å; L174-Y313 HydrophobicContact CD2-CE1 3.28Å
175S76.4Confident65.5Low16 Ų1671 Ų7111%0.11236%0.36CS..EExtended strand (participates in β ladder)trans-136.6149.4177.462.60000112.6M115 W144 H172M115-S175 WeakPolarHBondContact O-CA 3.5Å; M115-S175 WeakPolarHBondContact O-CB 3.21Å; W144-S175 VanDerWaalsContact CH2-C 3.5Å; H172-S175 PolarHBondContact O-OG 3.32Å
176R80Confident63.3Low43 Ų4378 Ų7816%0.16239%0.387CS..EExtended strand (participates in β ladder)trans-143.4140.6178.3-172.5167-89-157.54.2110.6M115 W144 Q166 Y178M115-R176 PolarHBondContact N-O 2.91Å; M115-R176 PolarHBondContact O-N 3.49Å; W144-R176 HydrophobicContact CD2-CB 3.73Å; W144-R176 HydrophobicContact CD2-CG 4.25Å; W144-R176 HydrophobicContact CE3-CB 3.33Å; W144-R176 HydrophobicContact CE3-CG 4.08Å; W144-R176 VanDerWaalsContact CG-CD 3.46Å; W144-R176 HydrophobicContact CH2-CB 3.76Å; W144-R176 HydrophobicContact CZ2-CB 4.09Å; W144-R176 HydrophobicContact CZ3-CB 3.33Å; Q166-R176 VanDerWaalsContact CD-CD 3.43Å; Q166-R176 VanDerWaalsContact CD-CZ 3.5Å; Q166-R176 HydrophobicContact CG-CG 3.89Å; R176-Y178 HydrophobicContact CB-CE2 3.96Å; R176-Y178 HydrophobicContact CG-CE2 3.94Å
177V80.6Confident61.1Low12 Ų1282 Ų827%0.07341%0.41CS..EExtended strand (participates in β ladder)trans-94.7129.2-175.9-176.70000110.4E112 F113 L114 R167E112-V177 HydrophobicContact CB-CG1 3.65Å; E112-V177 HydrophobicContact CG-CG1 4.26Å; F113-V177 CarbonylContact O-C 3.56Å; F113-V177 WeakPolarHBondContact O-CA 3.4Å; L114-V177 HydrophobicContact CD1-CG2 3.71Å; R167-V177 PolarHBondContact N-O 3.29Å
178Y82.7Confident59.3Low0 Ų080.3 Ų80.30%041%0.411CS..EExtended strand (participates in β ladder)trans-120.5140.9178.7-70.4-90.8000111F113 M115 P145 L148 Y165 Q166 R176F113-Y178 HydrophobicContact CD1-CD2 4.3Å; F113-Y178 PolarHBondContact N-O 3Å; F113-Y178 PolarHBondContact O-N 3.44Å; M115-Y178 HydrophobicContact CB-CD2 4.22Å; M115-Y178 HydrophobicContact CB-CE2 4.03Å; M115-Y178 HydrophobicContact CE-CE2 3.97Å; M115-Y178 HydrophobicContact SD-CE2 4.29Å; P145-Y178 WeakPolarHBondContact CD-OH 3.32Å; P145-Y178 WeakPolarHBondContact CG-OH 3.49Å; P145-Y178 VanDerWaalsContact O-CE1 3.28Å; P145-Y178 WeakPolarHBondContact O-CE1 3.47Å; P145-Y178 PolarHBondContact O-OH 2.9Å; L148-Y178 HydrophobicContact CD1-CD1 3.91Å; L148-Y178 HydrophobicContact CD1-CE1 4.06Å; L148-Y178 HydrophobicContact CD1-CG 4.2Å; L148-Y178 HydrophobicContact CG-CD1 4.13Å; L148-Y178 HydrophobicContact CG-CE1 4.01Å; Y165-Y178 CarbonylContact O-C 3.49Å; Y165-Y178 WeakPolarHBondContact O-CA 3.27Å; Q166-Y178 HydrophobicContact CB-CD1 4.29Å; Q166-Y178 HydrophobicContact CB-CE1 3.96Å; R176-Y178 HydrophobicContact CB-CE2 3.96Å; R176-Y178 HydrophobicContact CG-CE2 3.94Å
179V81.5Confident57.7Low23 Ų2381.9 Ų81.914%0.13942%0.419CS..EExtended strand (participates in β ladder)trans-127.4142.3-179.8178.70000109.3E112 Y164 Y165 R167E112-V179 HydrophobicContact CB-CG2 4.21Å; E112-V179 HydrophobicContact CG-CG2 3.76Å; Y164-V179 CarbonylContact C-O 3.59Å; Y164-V179 WeakPolarHBondContact CA-O 3.48Å; Y165-V179 PolarHBondContact N-O 3.4Å; Y165-V179 PolarHBondContact O-N 2.91Å; R167-V179 HydrophobicContact CB-CB 4.48Å; R167-V179 HydrophobicContact CB-CG2 3.81Å; R167-V179 VanDerWaalsContact CD-CG2 3.45Å; R167-V179 HydrophobicContact CG-CG2 4.27Å
180G74.2Confident57Low6 Ų680.6 Ų80.66%0.06242%0.418CS..SBendtrans-74.1-37.7-172.700000114.3E161 N163 Y165E161-G180 VanDerWaalsContact OE1-C 3.32Å; E161-G180 VanDerWaalsContact OE1-CA 3.28Å; E161-G180 WeakPolarHBondContact OE1-CA 3.49Å; E161-G180 WeakPolarHBondContact OE2-CA 3.4Å; N163-G180 CarbonylContact O-C 3.49Å; N163-G180 WeakPolarHBondContact O-CA 3.36Å; Y165-G180 WeakPolarHBondContact CD2-O 3.07Å; Y165-G180 WeakPolarHBondContact CE2-O 3.48Å
181D68.7Low56.1Low60 Ų6085 Ų8532%0.32144%0.437SS..  trans-101.2130.8-176.8-167-3.8000112E161 N183 H184E161-D181 PolarHBondContact OE1-N 3.46Å; E161-D181 VanDerWaalsContact OE1-N 3.14Å; E161-D181 PolarHBondContact OE2-N 3.18Å; E161-D181 VanDerWaalsContact OE2-N 3.16Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 PolarHBondContact OD1-N 3.36Å; D181-H184 HydrophobicContact CB-CB 4.45Å; D181-H184 IonicContact OD2-CE1 3.7Å; D181-H184 IonicContact OD2-CG 2.68Å; D181-H184 IonicContact OD2-ND1 3.62Å; D181-H184 PolarHBondContact OD2-ND1 3.16Å
182E55.4Low55.7Low132 Ų13284.7 Ų84.762%0.61743%0.431SS*.THydrogen-bonded Turntrans-64.5-28.7171.5-65-170.8145.400111.5Y165Y165-E182 HydrophobicContact CD1-CG 3.68Å; Y165-E182 WeakPolarHBondContact CD1-OE1 2.82Å; Y165-E182 HydrophobicContact CD2-CB 4.48Å; Y165-E182 HydrophobicContact CD2-CG 3.51Å; Y165-E182 HydrophobicContact CE1-CG 3.5Å; Y165-E182 VanDerWaalsContact CE1-CG 3.5Å; Y165-E182 WeakPolarHBondContact CE1-OE1 3.37Å; Y165-E182 HydrophobicContact CE2-CB 4.42Å; Y165-E182 HydrophobicContact CE2-CG 3.29Å; Y165-E182 HydrophobicContact CG-CG 3.7Å
183N49.8Very low55Low130 Ų13086.3 Ų86.370%0.69544%0.439SS*.THydrogen-bonded Turntrans-117.626.6-163.7-83.9-21.5000115.1D181 S185D181-N183 PolarHBondContact O-N 2.91Å; D181-N183 PolarHBondContact OD1-N 3.36Å; N183-S185 VanDerWaalsContact C-N 3.28Å; N183-S185 PolarHBondContact O-N 2.9Å
184H45.6Very low53.8Low98 Ų9889.9 Ų89.945%0.45446%0.458SS..  trans-68.386.7174.9-107.846.6000112.6D181D181-H184 HydrophobicContact CB-CB 4.45Å; D181-H184 IonicContact OD2-CE1 3.7Å; D181-H184 IonicContact OD2-CG 2.68Å; D181-H184 IonicContact OD2-ND1 3.62Å; D181-H184 PolarHBondContact OD2-ND1 3.16Å
185S36.3Very low52.4Low97 Ų9797.8 Ų97.868%0.67849%0.491SS*.  trans-63.5146.1146.756.20000109.4N183 D187N183-S185 VanDerWaalsContact C-N 3.28Å; N183-S185 PolarHBondContact O-N 2.9Å; S185-D187 VanDerWaalsContact C-N 3.27Å; S185-D187 PolarHBondContact O-N 2.74Å
186Y38.1Very low51Low198 Ų19899.7 Ų99.778%0.77650%0.497SS*.G310 helixtrans-60.56.5-157.9-92.7-95.5000120.3S189Y186-S189 PolarHBondContact O-OG 2.83Å
187D36.2Very low49.5Very low146 Ų146100.9 Ų100.978%0.78151%0.51SS*.G310 helixtrans-98.94.6-160.8-89.8-18.5000118.3S185S185-D187 VanDerWaalsContact C-N 3.27Å; S185-D187 PolarHBondContact O-N 2.74Å
188L34.8Very low48.1Very low103 Ų103105.9 Ų105.954%0.53954%0.535SS..G310 helixtrans-101.917.6170.6-140.777.8000114.5I190L188-I190 PolarHBondContact O-N 3.32Å
189S34.3Very low47Very low79 Ų79111.8 Ų111.855%0.55257%0.567SS**THydrogen-bonded Turntrans-72-7.6176.454.60000114.5Y186Y186-S189 PolarHBondContact O-OG 2.83Å
190I37.6Very low46.3Very low134 Ų134114.4 Ų114.469%0.68758%0.576SS**THydrogen-bonded Turntrans-93.2-18-175.1-59177.8000113.5L188L188-I190 PolarHBondContact O-N 3.32Å
191H34.2Very low46.2Very low159 Ų159119.3 Ų119.374%0.73661%0.605SS**THydrogen-bonded Turntrans-110.7-2.8-179-76.4-7.3000115.9
192V39.9Very low46.7Very low68 Ų68116.8 Ų116.841%0.41259%0.592SS.*  trans-102.31.2178.8-1530000113.4Q194 F196V192-Q194 PolarHBondContact O-N 2.86Å; V192-F196 HydrophobicContact CB-CE2 4.41Å; V192-F196 HydrophobicContact CG1-CE2 3.39Å; V192-F196 HydrophobicContact CG1-CZ 3.5Å
193Q33.7Very low48Very low179 Ų179113.7 Ų113.784%0.83658%0.577SS**  trans-65.60.7171.3-72.6-155.4-15.800114.2K195Q193-K195 PolarHBondContact O-N 3.35Å; Q193-K195 VanDerWaalsContact O-N 3.11Å
194Q38.1Very low49.7Very low176 Ų176107.5 Ų107.582%0.82254%0.544SS*.SBendtrans-8488.1174.4-67.3-170.7-5.100111.5V192V192-Q194 PolarHBondContact O-N 2.86Å
195K43.1Very low51.5Low195 Ų195104.3 Ų104.385%0.84853%0.533SS*.  trans67.168.7153.9-60.3177.5177.6176.50117.3Q193 P197Q193-K195 PolarHBondContact O-N 3.35Å; Q193-K195 VanDerWaalsContact O-N 3.11Å; K195-P197 WeakPolarHBondContact O-CD 3.43Å
196F46.3Very low53.8Low56 Ų5699.7 Ų99.725%0.24650%0.5CS..  trans-82.5120.4151.1-65.4-79.7000109.2I107 I158 V192 I198I107-F196 HydrophobicContact CG2-CD1 3.88Å; I107-F196 HydrophobicContact CG2-CE1 4.23Å; I107-F196 HydrophobicContact CG2-CG 4.42Å; I158-F196 HydrophobicContact CG2-CD1 3.44Å; I158-F196 VanDerWaalsContact CG2-CD1 3.44Å; I158-F196 HydrophobicContact CG2-CE1 3.4Å; I158-F196 VanDerWaalsContact CG2-CE1 3.4Å; V192-F196 HydrophobicContact CB-CE2 4.41Å; V192-F196 HydrophobicContact CG1-CE2 3.39Å; V192-F196 HydrophobicContact CG1-CZ 3.5Å; F196-I198 PolarHBondContact O-N 3.14Å; F196-I198 VanDerWaalsContact O-N 3.15Å
197P48.5Very low56.1Low68 Ų6892.2 Ų92.244%0.44248%0.476SS..  trans-65.9113165.425.7-29.8000108.8K195 K200K195-P197 WeakPolarHBondContact O-CD 3.43Å; P197-K200 HydrophobicContact CG-CB 4.23Å; P197-K200 HydrophobicContact CG-CD 3.77Å
198I51.4Low58.4Low116 Ų11690 Ų9060%0.59546%0.46SS*.THydrogen-bonded Turntrans-58.3135.6178.5-57.6165.1000109.1F196 K200F196-I198 PolarHBondContact O-N 3.14Å; F196-I198 VanDerWaalsContact O-N 3.15Å; I198-K200 PolarHBondContact O-N 3.01Å
199N58.5Low60.8Low124 Ų12486.8 Ų86.866%0.66344%0.443SS*.THydrogen-bonded Turntrans66.826.1176.7-60.6-21.5000117
200K66.8Low63.1Low79 Ų7986.8 Ų86.834%0.34344%0.435SS..  trans-82.3126.5170.9-164.8171.2-175.7-178.20111.1N106 E155 P197 I198 I202N106-K200 PolarHBondContact OD1-O 3.43Å; E155-K200 VanDerWaalsContact CD-CE 3.48Å; E155-K200 WeakPolarHBondContact OE1-CE 3.31Å; E155-K200 IonicContact OE1-NZ 3.75Å; E155-K200 PolarHBondContact OE1-NZ 2.95Å; E155-K200 WeakPolarHBondContact OE2-CD 3.43Å; E155-K200 WeakPolarHBondContact OE2-CE 3.43Å; E155-K200 IonicContact OE2-NZ 2.62Å; E155-K200 PolarHBondContact OE2-NZ 3.42Å; P197-K200 HydrophobicContact CG-CB 4.23Å; P197-K200 HydrophobicContact CG-CD 3.77Å; I198-K200 PolarHBondContact O-N 3.01Å; K200-I202 PolarHBondContact O-N 3.2Å
201T74Confident65Low109 Ų10983.4 Ų83.467%0.66942%0.421SS*.EExtended strand (participates in β ladder)trans-70.7121170.354.80000109.6G105 N106G105-T201 CarbonylContact O-C 3.47Å; G105-T201 WeakPolarHBondContact O-CA 3.27Å; N106-T201 VanDerWaalsContact OD1-CA 3.31Å; N106-T201 WeakPolarHBondContact OD1-CA 3.18Å; N106-T201 WeakPolarHBondContact OD1-CG2 3.35Å; N106-T201 PolarHBondContact OD1-N 3.37Å
202I79.2Confident66.7Low7 Ų779.5 Ų79.54%0.03641%0.408CS..EExtended strand (participates in β ladder)trans-115.3144.5176.3-59.5178.7000108.8N104 G105 I107 S153 I158 I159 K200N104-I202 WeakPolarHBondContact CA-O 3.48Å; G105-I202 PolarHBondContact N-O 3.37Å; G105-I202 PolarHBondContact O-N 3.18Å; G105-I202 VanDerWaalsContact O-O 3.13Å; I107-I202 HydrophobicContact CB-CD1 4.4Å; I107-I202 HydrophobicContact CD1-CD1 3.28Å; I107-I202 HydrophobicContact CG1-CD1 3.71Å; S153-I202 WeakPolarHBondContact OG-CG2 3.5Å; I158-I202 HydrophobicContact CB-CD1 4.49Å; I158-I202 HydrophobicContact CD1-CD1 4.23Å; I158-I202 HydrophobicContact CG2-CD1 4.13Å; I159-I202 HydrophobicContact CD1-CD1 4.42Å; I159-I202 HydrophobicContact CD1-CG2 3.8Å; K200-I202 PolarHBondContact O-N 3.2Å
203Q82Confident67.7Low66 Ų6684.2 Ų84.231%0.30843%0.431SS..EExtended strand (participates in β ladder)trans-105.3121.6175.1-173.1173.13800108.8V102 F103 N104 N154V102-Q203 HydrophobicContact CG1-CG 3.27Å; F103-Q203 CarbonylContact O-C 3.48Å; F103-Q203 WeakPolarHBondContact O-CA 3.39Å; N104-Q203 WeakPolarHBondContact OD1-CG 3.5Å; N154-Q203 PolarHBondContact N-O 3.3Å; N154-Q203 PolarHBondContact ND2-OE1 3.21Å
204L84.2Confident69Low0 Ų077.5 Ų77.50%041%0.41CS..EExtended strand (participates in β ladder)trans-105.7122.6176.9-167.373.5000108.8V102 F103 F113 L148 C151 I159 Y164V102-L204 CarbonylContact C-O 3.34Å; V102-L204 WeakPolarHBondContact CA-O 3.45Å; F103-L204 HydrophobicContact CB-CB 4.48Å; F103-L204 PolarHBondContact N-O 2.68Å; F103-L204 PolarHBondContact O-N 2.62Å; F113-L204 HydrophobicContact CD1-CD2 4.26Å; F113-L204 HydrophobicContact CE1-CB 4.3Å; F113-L204 HydrophobicContact CE1-CD2 4.2Å; F113-L204 HydrophobicContact CE2-CB 4.22Å; F113-L204 HydrophobicContact CZ-CB 3.9Å; L148-L204 HydrophobicContact CD1-CD2 3.9Å; C151-L204 HydrophobicContact CB-CD1 3.8Å; C151-L204 HydrophobicContact CB-CD2 4.08Å; C151-L204 HydrophobicContact CB-CG 3.86Å; I159-L204 HydrophobicContact CD1-CD1 4.18Å; I159-L204 HydrophobicContact CG2-CD1 3.9Å; Y164-L204 HydrophobicContact CD2-CD2 3.9Å; Y164-L204 HydrophobicContact CE2-CD1 4.06Å; Y164-L204 HydrophobicContact CE2-CD2 4.23Å; Y164-L204 HydrophobicContact CG-CD2 4.29Å
205S84Confident70.3Confident31 Ų3174.1 Ų74.122%0.21741%0.405CS..EExtended strand (participates in β ladder)trans-110.4115.7177.4171.50000109.8Y101 C151 T152Y101-S205 CarbonylContact O-C 3.58Å; Y101-S205 WeakPolarHBondContact O-CA 3.5Å; C151-S205 CarbonylContact C-O 3.59Å; C151-S205 VanDerWaalsContact CA-O 3.31Å; C151-S205 WeakPolarHBondContact CA-O 3.38Å; T152-S205 PolarHBondContact N-O 3.04Å; T152-S205 PolarHBondContact O-N 3.05Å; T152-S205 PolarHBondContact OG1-O 3.45Å
206C86Confident71.6Confident0 Ų070.9 Ų70.90%040%0.398CS..EExtended strand (participates in β ladder)trans-115.2153.2-176.1-54.50000111.6A100 Y101 F103 L148 C151A100-C206 CarbonylContact C-O 3.51Å; A100-C206 WeakPolarHBondContact CA-O 3.5Å; Y101-C206 PolarHBondContact N-O 2.78Å; Y101-C206 PolarHBondContact O-N 2.75Å; F103-C206 HydrophobicContact CE2-CB 4.45Å; L148-C206 HydrophobicContact CB-CB 4.3Å; C151-C206 HydrophobicContact CB-CB 4.13Å; C151-C206 WeakPolarHBondContact CB-SG 3.33Å; C151-C206 WeakPolarHBondContact SG-CB 3.17Å; C151-C206 CovalentContact SG-SG 2.04Å; C151-C206 PolarHBondContact SG-SG 2.85Å
207V85.1Confident72.9Confident42 Ų4269 Ų6926%0.25539%0.391SS..SBendtrans-88-37.7-177.4-179.70000111.6Y101 K149 Q150 R226Y101-V207 WeakPolarHBondContact CE2-O 3.31Å; K149-V207 PolarHBondContact O-N 3.33Å; Q150-V207 HydrophobicContact CB-CB 4.01Å; Q150-V207 HydrophobicContact CB-CG2 3.8Å; V207-R226 VanDerWaalsContact CG2-NH1 3.35Å
208E84.9Confident74.1Confident98 Ų9865.7 Ų65.746%0.45837%0.37SS..EExtended strand (participates in β ladder)trans-136.2145.7-175-177-179.9-160.400110K149K149-E208 HydrophobicContact CB-CB 4.2Å; K149-E208 HydrophobicContact CD-CG 4.45Å; K149-E208 WeakPolarHBondContact CD-OE2 3.44Å; K149-E208 PolarHBondContact N-O 3.5Å; K149-E208 IonicContact NZ-OE2 3.86Å; K149-E208 PolarHBondContact O-N 3.32Å
209I84.3Confident75.2Confident36 Ų3661.6 Ų61.619%0.18535%0.351CS..EExtended strand (participates in β ladder)trans-126.9134.217560.1174.3000109.3Y101 F103 P145 V147 L148 T211Y101-I209 HydrophobicContact CD1-CD1 3.85Å; Y101-I209 HydrophobicContact CD1-CG1 4.37Å; Y101-I209 HydrophobicContact CD2-CG1 4.17Å; Y101-I209 HydrophobicContact CD2-CG2 3.84Å; Y101-I209 HydrophobicContact CE1-CD1 3.84Å; Y101-I209 HydrophobicContact CE1-CG1 4.23Å; Y101-I209 HydrophobicContact CE2-CD1 4.5Å; Y101-I209 HydrophobicContact CE2-CG1 4.02Å; Y101-I209 HydrophobicContact CE2-CG2 4.49Å; Y101-I209 HydrophobicContact CG-CD1 4.18Å; Y101-I209 HydrophobicContact CG-CG1 4.32Å; Y101-I209 HydrophobicContact CG-CG2 3.87Å; F103-I209 HydrophobicContact CE2-CG2 4.11Å; F103-I209 HydrophobicContact CZ-CG2 3.95Å; P145-I209 HydrophobicContact CB-CB 4.03Å; P145-I209 HydrophobicContact CB-CG2 4.4Å; V147-I209 WeakPolarHBondContact O-CA 3.35Å; L148-I209 HydrophobicContact CD2-CG2 3.68Å; I209-T211 HydrophobicContact CD1-CG2 4.15Å; I209-T211 HydrophobicContact CG1-CG2 4.4Å
210E83.7Confident76Confident80 Ų8057.2 Ų57.237%0.37433%0.327SS..EExtended strand (participates in β ladder)trans-97.4122.8168.1-63.8-174.2169.700108.5P145 L146 V147 K149P145-E210 CarbonylContact C-O 3.52Å; P145-E210 VanDerWaalsContact CA-O 3.25Å; P145-E210 WeakPolarHBondContact CA-O 3.14Å; L146-E210 PolarHBondContact N-O 3.06Å; V147-E210 HydrophobicContact CB-CB 4.09Å; V147-E210 HydrophobicContact CB-CG 4.27Å; V147-E210 HydrophobicContact CG2-CB 4.48Å; V147-E210 WeakPolarHBondContact CG2-OE2 3.32Å; V147-E210 PolarHBondContact O-N 3.33Å; K149-E210 WeakPolarHBondContact CE-OE1 3.27Å; K149-E210 IonicContact NZ-OE1 2.82Å; K149-E210 PolarHBondContact NZ-OE1 3.08Å
211T78Confident76.4Confident63 Ų6355 Ų5539%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-114.2152.5178.557.60000110.1P145 I209P145-T211 HydrophobicContact CB-CG2 4.21Å; I209-T211 HydrophobicContact CD1-CG2 4.15Å; I209-T211 HydrophobicContact CG1-CG2 4.4Å
212T68.7Low76.6Confident77 Ų7750 Ų5047%0.47229%0.29SS..  trans-76.1131.2168.448.90000108.7L146 G214L146-T212 HydrophobicContact CD1-CG2 3.51Å; L146-T212 HydrophobicContact CD2-CG2 3.96Å; L146-T212 HydrophobicContact CG-CG2 3.78Å; T212-G214 PolarHBondContact O-N 2.97Å
213N60.7Low76.5Confident166 Ų16652.7 Ų52.789%0.88830%0.302SS*.  trans-70.435.6179.1-74.6-16.1000113.6S215N213-S215 PolarHBondContact O-N 3.26Å
214G61.8Low76.3Confident39 Ų3952.1 Ų52.140%0.40230%0.299SS..  trans-75.7120.7-178.800000111.7T212 N216 C217T212-G214 PolarHBondContact O-N 2.97Å; G214-N216 PolarHBondContact O-N 3Å; G214-N216 VanDerWaalsContact O-N 3.13Å; G214-C217 PolarHBondContact O-SG 2.82Å
215S64.6Low76.1Confident104 Ų10455 Ų5573%0.72731%0.314SS*.THydrogen-bonded Turntrans-67.3-6.9175.157.60000114.7N213N213-S215 PolarHBondContact O-N 3.26Å
216N71.7Confident75.9Confident128 Ų12858.6 Ų58.668%0.68432%0.323SS*.THydrogen-bonded Turntrans-106.419.4-170.8-62.6-2.6000113I140 G214I140-N216 WeakPolarHBondContact CG2-O 3.19Å; G214-N216 PolarHBondContact O-N 3Å; G214-N216 VanDerWaalsContact O-N 3.13Å
217C73Confident75.7Confident15 Ų1564.8 Ų64.810%0.10136%0.356CS..SBendtrans-125.6159178.664.30000112.1P141 C143 G214 L309P141-C217 CarbonylContact O-C 3.58Å; P141-C217 WeakPolarHBondContact O-CA 3.4Å; P141-C217 VanDerWaalsContact O-CB 3.3Å; P141-C217 WeakPolarHBondContact O-CB 3.45Å; C143-C217 WeakPolarHBondContact CA-SG 3.3Å; C143-C217 HydrophobicContact CB-CB 3.98Å; C143-C217 WeakPolarHBondContact CB-SG 3.34Å; C143-C217 WeakPolarHBondContact SG-CB 3.43Å; C143-C217 PolarHBondContact SG-O 3.33Å; C143-C217 CovalentContact SG-SG 2.04Å; C143-C217 PolarHBondContact SG-SG 3.04Å; G214-C217 PolarHBondContact O-SG 2.82Å; C217-L309 VanDerWaalsContact C-CD2 3.48Å; C217-L309 WeakPolarHBondContact O-CD2 3.49Å
218A74Confident75.7Confident0 Ų063.4 Ų63.40%035%0.349CS..BIsolated β-bridgetrans-92.9129.4-18000000113P141 P142 C143 L309 L311 Y313P141-A218 PolarHBondContact O-N 3.44Å; P142-A218 CarbonylContact C-O 3.27Å; C143-A218 WeakPolarHBondContact CB-O 3.5Å; C143-A218 PolarHBondContact N-O 3.42Å; A218-L309 HydrophobicContact CB-CD2 3.38Å; A218-L311 WeakPolarHBondContact CB-O 3.15Å; A218-Y313 HydrophobicContact CB-CD2 3.9Å; A218-Y313 HydrophobicContact CB-CE2 3.52Å
219P73.7Confident75.8Confident30 Ų3061.2 Ų61.220%0.19534%0.344CS..PPolyproline II helixtrans-66.7146.2-174.826.1-31.3000111.7T307 L312P219-T307 HydrophobicContact CG-CG2 4.08Å; P219-L312 HydrophobicContact CG-CD2 3.66Å
220L75.8Confident76.1Confident31 Ų3166.7 Ų66.716%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-91.6133.1176.6-57.3178.6000110M115 L117 P142 C143 Y313M115-L220 HydrophobicContact CE-CD1 4.29Å; L117-L220 HydrophobicContact CD1-CD2 3.44Å; L117-L220 VanDerWaalsContact CD1-CD2 3.44Å; L117-L220 HydrophobicContact CD2-CD2 3.88Å; L117-L220 HydrophobicContact CG-CD2 4.32Å; P142-L220 HydrophobicContact CB-CD2 3.77Å; C143-L220 VanDerWaalsContact O-CD1 3.25Å; C143-L220 WeakPolarHBondContact O-CD1 3.4Å; C143-L220 WeakPolarHBondContact O-CG 3.38Å; L220-Y313 HydrophobicContact CD2-CD2 4.26Å; L220-Y313 HydrophobicContact CD2-CG 4.34Å
221V75.1Confident76.3Confident32 Ų3266.5 Ų66.519%0.19437%0.37CS..EExtended strand (participates in β ladder)trans-100.693.4172.6-174.60000108.3L312 Y313 Y314 S323V221-L312 HydrophobicContact CG2-CB 4.42Å; V221-L312 HydrophobicContact CG2-CD1 4.45Å; V221-L312 HydrophobicContact CG2-CD2 4.3Å; V221-Y313 PolarHBondContact N-O 3.27Å; V221-Y314 HydrophobicContact CB-CD1 4.23Å; V221-Y314 HydrophobicContact CB-CE1 4.03Å; V221-Y314 HydrophobicContact CG1-CD1 4.23Å; V221-Y314 HydrophobicContact CG1-CE1 3.75Å; V221-S323 WeakPolarHBondContact CG1-OG 3.47Å
222C77.5Confident77Confident6 Ų664.2 Ų64.24%0.04136%0.356CS..  trans-132.18-176.652.30000112.7Y101 V102 F103 H224Y101-C222 CarbonylContact C-O 3.55Å; Y101-C222 VanDerWaalsContact CA-O 3.31Å; Y101-C222 WeakPolarHBondContact CA-O 3.38Å; V102-C222 PolarHBondContact N-O 3.13Å; F103-C222 HydrophobicContact CD1-CB 4.12Å; F103-C222 HydrophobicContact CE1-CB 3.63Å; F103-C222 VanDerWaalsContact CE1-SG 3.53Å; F103-C222 HydrophobicContact CZ-CB 4.21Å; C222-H224 PolarHBondContact O-CD2 3.17Å
223E77.7Confident78.1Confident62 Ų6260.7 Ų60.729%0.2934%0.335SS..EExtended strand (participates in β ladder)trans-77.7124.6-176.9-167.9-168.7132.600111.5K99 Y101K99-E223 HydrophobicContact CB-CG 4.01Å; K99-E223 HydrophobicContact CD-CG 3.93Å; K99-E223 WeakPolarHBondContact CD-OE1 3.44Å; K99-E223 VanDerWaalsContact CE-CD 3.43Å; K99-E223 WeakPolarHBondContact CE-OE1 3.14Å; K99-E223 HydrophobicContact CG-CG 4.01Å; K99-E223 WeakPolarHBondContact CG-OE1 3.39Å; K99-E223 IonicContact NZ-OE1 3.25Å; K99-E223 PolarHBondContact NZ-OE1 3.36Å; K99-E223 IonicContact NZ-OE2 3.04Å; K99-E223 PolarHBondContact NZ-OE2 3.49Å; Y101-E223 HydrophobicContact CE1-CB 4.44Å
224H77.4Confident79.7Confident54 Ų5457 Ų5725%0.2531%0.314CS..EExtended strand (participates in β ladder)trans-122.5155172-73.2-98.3000110.6K99 A100 V102 C222 R226K99-H224 WeakPolarHBondContact CA-O 3.47Å; A100-H224 PolarHBondContact N-O 3.35Å; A100-H224 PolarHBondContact O-N 2.96Å; V102-H224 VanDerWaalsContact CB-CD2 3.44Å; V102-H224 WeakPolarHBondContact CB-CD2 3.19Å; V102-H224 HydrophobicContact CG2-CB 3.76Å; V102-H224 VanDerWaalsContact CG2-CD2 3.45Å; V102-H224 WeakPolarHBondContact CG2-CD2 3.5Å; C222-H224 PolarHBondContact O-CD2 3.17Å; H224-R226 PolarHBondContact O-N 2.98Å
225I79.4Confident81.2Confident61 Ų6159.1 Ų59.131%0.31332%0.319SS..EExtended strand (participates in β ladder)trans-70.1125.9171.2-62.3159000107.8
226R80.9Confident82.5Confident106 Ų10654.2 Ų54.240%0.429%0.285SS..PPolyproline II helixtrans-80.6140.6174.8-174179.9177178.62.7109.9G40 N98 A100 V207 H224 A228G40-R226 VanDerWaalsContact CA-O 3.27Å; G40-R226 WeakPolarHBondContact CA-O 3.47Å; N98-R226 HydrophobicContact CB-CB 4.13Å; N98-R226 WeakPolarHBondContact O-CB 3.28Å; N98-R226 PolarHBondContact O-N 2.54Å; N98-R226 VanDerWaalsContact O-N 3.14Å; A100-R226 HydrophobicContact CB-CB 4.01Å; A100-R226 HydrophobicContact CB-CG 4.34Å; V207-R226 VanDerWaalsContact CG2-NH1 3.35Å; H224-R226 PolarHBondContact O-N 2.98Å; R226-A228 PolarHBondContact O-N 3.44Å
227D81.9Confident83.6Confident131 Ų13149.7 Ų49.770%0.70126%0.261SS*.PPolyproline II helixtrans-54.3136.1172.4-69.8-24.6000111.7
228A85Confident84.7Confident12 Ų1253.5 Ų53.510%0.09928%0.279CS..PPolyproline II helixtrans-68.5136.1-177.700000111.4Y39 G40 L41 R226 V232 V233Y39-A228 WeakPolarHBondContact O-CB 3.09Å; G40-A228 WeakPolarHBondContact O-CB 3.36Å; G40-A228 PolarHBondContact O-N 2.73Å; L41-A228 HydrophobicContact CD1-CB 3.88Å; L41-A228 HydrophobicContact CG-CB 4.39Å; R226-A228 PolarHBondContact O-N 3.44Å; A228-V232 HydrophobicContact CB-CB 4.39Å; A228-V232 HydrophobicContact CB-CG1 4.35Å; A228-V233 HydrophobicContact CB-CG2 4.01Å
229S87.4Confident85.7Confident52 Ų5254.1 Ų54.136%0.36428%0.282SS..PPolyproline II helixtrans-67.8152.3165.462.60000110.2S231 V232 V233S229-S231 PolarHBondContact O-N 3.24Å; S229-S231 VanDerWaalsContact O-N 3.1Å; S229-S231 PolarHBondContact OG-OG 3.44Å; S229-V232 PolarHBondContact O-N 3.31Å; S229-V233 WeakPolarHBondContact O-CG2 3.42Å; S229-V233 PolarHBondContact O-N 3.01Å; S229-V233 VanDerWaalsContact O-N 3.07Å
230W89.2Confident86.7Confident151 Ų15153 Ų5357%0.57227%0.274SS*.Hα-helixtrans-57.3-27.8176.3-81.7106.4000113.7Q45 V233 I234Q45-W230 HydrophobicContact CG-CH2 4.44Å; W230-V233 HydrophobicContact CE3-CB 4.12Å; W230-V233 HydrophobicContact CE3-CG1 4.02Å; W230-V233 HydrophobicContact CE3-CG2 4.49Å; W230-V233 HydrophobicContact CZ3-CG1 4.02Å; W230-V233 PolarHBondContact O-N 3.35Å; W230-I234 WeakPolarHBondContact O-CB 3.31Å; W230-I234 VanDerWaalsContact O-CG1 3.23Å; W230-I234 WeakPolarHBondContact O-CG1 3.41Å; W230-I234 PolarHBondContact O-N 3.45Å
231S89.6Confident87.6Confident77 Ų7752.4 Ų52.454%0.53827%0.272SS..Hα-helixtrans-61.6-46.5172.352.60000112.2S229 V233 I234 T235S229-S231 PolarHBondContact O-N 3.24Å; S229-S231 VanDerWaalsContact O-N 3.1Å; S229-S231 PolarHBondContact OG-OG 3.44Å; S231-V233 VanDerWaalsContact C-N 3.34Å; S231-I234 PolarHBondContact O-N 3.05Å; S231-T235 PolarHBondContact O-N 3.23Å; S231-T235 PolarHBondContact O-OG1 3.12Å; S231-T235 VanDerWaalsContact O-OG1 3.07Å
232V90.8Very high88.6Confident14 Ų1455.1 Ų55.19%0.08529%0.285CS..Hα-helixtrans-63.7-42.5175.8175.20000110.3I95 A228 S229 I234 T235 V236I95-V232 HydrophobicContact CG2-CG1 4.35Å; A228-V232 HydrophobicContact CB-CB 4.39Å; A228-V232 HydrophobicContact CB-CG1 4.35Å; S229-V232 PolarHBondContact O-N 3.31Å; V232-I234 VanDerWaalsContact C-N 3.33Å; V232-I234 PolarHBondContact O-N 2.62Å; V232-T235 PolarHBondContact O-N 2.99Å; V232-V236 HydrophobicContact CG1-CG2 4.25Å; V232-V236 WeakPolarHBondContact O-CB 3.28Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.43Å; V232-V236 PolarHBondContact O-N 3.38Å
233V92.3Very high89.5Confident4 Ų454.8 Ų54.82%0.02428%0.283CS..Hα-helixtrans-58.2-45.3176.6179.50000111.2L41 Q45 A228 S229 W230 S231 V236 L237L41-V233 HydrophobicContact CG-CG2 4.26Å; Q45-V233 HydrophobicContact CB-CG1 4.28Å; Q45-V233 HydrophobicContact CG-CG1 4.25Å; Q45-V233 HydrophobicContact CG-CG2 4.22Å; A228-V233 HydrophobicContact CB-CG2 4.01Å; S229-V233 WeakPolarHBondContact O-CG2 3.42Å; S229-V233 PolarHBondContact O-N 3.01Å; S229-V233 VanDerWaalsContact O-N 3.07Å; W230-V233 HydrophobicContact CE3-CB 4.12Å; W230-V233 HydrophobicContact CE3-CG1 4.02Å; W230-V233 HydrophobicContact CE3-CG2 4.49Å; W230-V233 HydrophobicContact CZ3-CG1 4.02Å; W230-V233 PolarHBondContact O-N 3.35Å; S231-V233 VanDerWaalsContact C-N 3.34Å; V233-V236 PolarHBondContact O-N 3.25Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 PolarHBondContact O-N 3.03Å
234I94.1Very high90.2Very high89 Ų8952.3 Ų52.346%0.45627%0.272SS..Hα-helixtrans-66.7-42.9178.5-69.1165.4000111.1W230 S231 V232 L237 I238W230-I234 WeakPolarHBondContact O-CB 3.31Å; W230-I234 VanDerWaalsContact O-CG1 3.23Å; W230-I234 WeakPolarHBondContact O-CG1 3.41Å; W230-I234 PolarHBondContact O-N 3.45Å; S231-I234 PolarHBondContact O-N 3.05Å; V232-I234 VanDerWaalsContact C-N 3.33Å; V232-I234 PolarHBondContact O-N 2.62Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 3.2Å; I234-I238 HydrophobicContact CG2-CD1 3.85Å; I234-I238 HydrophobicContact CG2-CG1 4.47Å; I234-I238 VanDerWaalsContact O-CG1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 2.91Å
235T93.2Very high90.9Very high83 Ų8350.8 Ų50.851%0.50927%0.268SS..Hα-helixtrans-61.1-46.5176.3-59.90000111.5S231 V232 I238 L239S231-T235 PolarHBondContact O-N 3.23Å; S231-T235 PolarHBondContact O-OG1 3.12Å; S231-T235 VanDerWaalsContact O-OG1 3.07Å; V232-T235 PolarHBondContact O-N 2.99Å; T235-I238 PolarHBondContact O-N 2.85Å; T235-L239 WeakPolarHBondContact O-CB 3.46Å; T235-L239 PolarHBondContact O-N 3.01Å
236V93.6Very high91.6Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-60.9-44.8175.6164.20000111.1L36 Y39 L41 T49 I95 V232 V233 L239 R240L36-V236 HydrophobicContact CD1-CG1 3.68Å; L36-V236 HydrophobicContact CD2-CB 4.47Å; L36-V236 HydrophobicContact CD2-CG1 3.37Å; L36-V236 HydrophobicContact CD2-CG2 4.23Å; L36-V236 HydrophobicContact CG-CG1 4.08Å; Y39-V236 HydrophobicContact CD2-CG2 4.31Å; L41-V236 HydrophobicContact CD1-CG2 4.38Å; L41-V236 HydrophobicContact CD2-CG1 3.94Å; T49-V236 HydrophobicContact CG2-CG1 4.39Å; I95-V236 HydrophobicContact CD1-CG2 3.89Å; I95-V236 HydrophobicContact CG2-CG2 4.5Å; V232-V236 HydrophobicContact CG1-CG2 4.25Å; V232-V236 WeakPolarHBondContact O-CB 3.28Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.43Å; V232-V236 PolarHBondContact O-N 3.38Å; V233-V236 PolarHBondContact O-N 3.25Å; V236-L239 PolarHBondContact O-N 3.38Å; V236-R240 WeakPolarHBondContact O-CB 3.49Å; V236-R240 PolarHBondContact O-N 3.02Å
237L94.9Very high92.2Very high34 Ų3443.6 Ų43.618%0.17824%0.239CC..Hα-helixtrans-56.4-52.4177.1172.770.6000110.8T49 F52 V233 I234 L239 R240 C241T49-L237 HydrophobicContact CG2-CB 4.14Å; T49-L237 HydrophobicContact CG2-CD1 4.17Å; F52-L237 HydrophobicContact CB-CD1 3.75Å; F52-L237 HydrophobicContact CD2-CD1 4.04Å; F52-L237 HydrophobicContact CG-CD1 4.25Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 PolarHBondContact O-N 3.03Å; I234-L237 WeakPolarHBondContact O-CB 3.37Å; I234-L237 PolarHBondContact O-N 3.2Å; L237-L239 PolarHBondContact O-N 2.73Å; L237-R240 PolarHBondContact O-N 2.89Å; L237-C241 WeakPolarHBondContact O-CB 3.45Å; L237-C241 PolarHBondContact O-N 3.44Å; L237-C241 PolarHBondContact O-SG 3.07Å
238I95.5Very high92.5Very high95 Ų9537.9 Ų37.949%0.48721%0.209SC..Hα-helixtrans-59.5-48.9179-67.7166.9000109.9I234 T235 R240 C241 L242I234-I238 HydrophobicContact CG2-CD1 3.85Å; I234-I238 HydrophobicContact CG2-CG1 4.47Å; I234-I238 VanDerWaalsContact O-CG1 3.3Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; I234-I238 PolarHBondContact O-N 2.91Å; T235-I238 PolarHBondContact O-N 2.85Å; I238-R240 PolarHBondContact O-N 2.91Å; I238-C241 WeakPolarHBondContact O-CB 3.37Å; I238-C241 PolarHBondContact O-N 3.28Å; I238-L242 HydrophobicContact CG2-CD1 3.92Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.39Å
239L94.8Very high92.7Very high13 Ų1337.3 Ų37.37%0.06821%0.205CC..Hα-helixtrans-62.5-46.1-178.4-175.761.4000112L88 L91 F92 I95 T235 V236 L237 C241 L242 V243L88-L239 HydrophobicContact CB-CD1 4.32Å; L88-L239 HydrophobicContact CD2-CD1 4.2Å; L91-L239 HydrophobicContact CB-CD1 3.86Å; L91-L239 HydrophobicContact CB-CD2 3.96Å; L91-L239 HydrophobicContact CD1-CD1 3.91Å; L91-L239 HydrophobicContact CG-CD1 4.5Å; F92-L239 HydrophobicContact CD1-CD2 3.69Å; F92-L239 HydrophobicContact CD2-CD2 3.94Å; F92-L239 HydrophobicContact CD2-CG 4.44Å; F92-L239 HydrophobicContact CE1-CD2 3.74Å; F92-L239 HydrophobicContact CE1-CG 4.21Å; F92-L239 HydrophobicContact CE2-CD2 4.03Å; F92-L239 HydrophobicContact CE2-CG 4.09Å; F92-L239 HydrophobicContact CG-CD2 3.78Å; F92-L239 HydrophobicContact CZ-CD2 3.92Å; F92-L239 HydrophobicContact CZ-CG 3.95Å; I95-L239 HydrophobicContact CD1-CD2 3.93Å; T235-L239 WeakPolarHBondContact O-CB 3.46Å; T235-L239 PolarHBondContact O-N 3.01Å; V236-L239 PolarHBondContact O-N 3.38Å; L237-L239 PolarHBondContact O-N 2.73Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.83Å; L239-L242 PolarHBondContact O-N 3.4Å; L239-V243 HydrophobicContact CD1-CG2 4.24Å; L239-V243 HydrophobicContact CG-CG2 4.42Å; L239-V243 WeakPolarHBondContact O-CG2 3.39Å; L239-V243 PolarHBondContact O-N 3Å
240R94.8Very high92.8Very high6 Ų634.9 Ų34.92%0.02319%0.187CC..Hα-helixtrans-61.7-40.9177.4-170.9-172.4172.3145.29.8111.4N33 T49 S53 V236 L237 I238 S244 E393N33-R240 PolarHBondContact OD1-NH1 3.37Å; T49-R240 PolarHBondContact OG1-NH1 3.12Å; S53-R240 WeakPolarHBondContact OG-CD 3.45Å; S53-R240 PolarHBondContact OG-NE 2.81Å; V236-R240 WeakPolarHBondContact O-CB 3.49Å; V236-R240 PolarHBondContact O-N 3.02Å; L237-R240 PolarHBondContact O-N 2.89Å; I238-R240 PolarHBondContact O-N 2.91Å; R240-S244 VanDerWaalsContact O-CB 3.24Å; R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 3.11Å; R240-S244 PolarHBondContact O-OG 3.45Å; R240-E393 IonicContact CZ-OE2 3.47Å; R240-E393 IonicContact NH2-OE1 3.55Å; R240-E393 PolarHBondContact NH2-OE1 3.2Å; R240-E393 IonicContact NH2-OE2 2.69Å; R240-E393 PolarHBondContact NH2-OE2 3.45Å
241C95.4Very high92.7Very high18 Ų1828.7 Ų28.712%0.12217%0.168CC..Hα-helixtrans-60.9-46.9173.9-73.60000111.7S53 C56 L237 I238 L239 S245S53-C241 VanDerWaalsContact CA-SG 3.56Å; S53-C241 PolarHBondContact N-SG 3.02Å; C56-C241 HydrophobicContact CB-CB 4.47Å; L237-C241 WeakPolarHBondContact O-CB 3.45Å; L237-C241 PolarHBondContact O-N 3.44Å; L237-C241 PolarHBondContact O-SG 3.07Å; I238-C241 WeakPolarHBondContact O-CB 3.37Å; I238-C241 PolarHBondContact O-N 3.28Å; L239-C241 VanDerWaalsContact C-N 3.33Å; L239-C241 PolarHBondContact O-N 2.83Å; C241-S245 VanDerWaalsContact O-CB 3.25Å; C241-S245 WeakPolarHBondContact O-CB 3.46Å; C241-S245 PolarHBondContact O-N 2.91Å; C241-S245 PolarHBondContact O-OG 2.9Å
242L95.4Very high92.3Very high89 Ų8927 Ų2747%0.46615%0.152SC..Hα-helixtrans-64.4-47.4179.7-68.7173.6000111.7L88 I238 L239 S244 S245 A246L88-L242 HydrophobicContact CD1-CB 3.7Å; L88-L242 HydrophobicContact CD2-CB 4.1Å; L88-L242 HydrophobicContact CD2-CD1 4.13Å; I238-L242 HydrophobicContact CG2-CD1 3.92Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 VanDerWaalsContact O-CG 3.3Å; I238-L242 WeakPolarHBondContact O-CG 3.27Å; I238-L242 PolarHBondContact O-N 3.39Å; L239-L242 PolarHBondContact O-N 3.4Å; L242-S244 PolarHBondContact O-N 3.38Å; L242-S245 PolarHBondContact O-N 3.3Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.09Å
243V95.3Very high91.9Very high0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-61.7-45.9178.7171.90000111F29 L88 M89 F92 L239 S245 A246 H247F29-V243 HydrophobicContact CE1-CG1 4.26Å; F29-V243 HydrophobicContact CZ-CG1 3.86Å; L88-V243 HydrophobicContact CB-CG2 3.4Å; L88-V243 VanDerWaalsContact CB-CG2 3.4Å; L88-V243 HydrophobicContact CD1-CG2 4.37Å; L88-V243 HydrophobicContact CG-CG2 4.49Å; M89-V243 HydrophobicContact CE-CG1 4.15Å; M89-V243 HydrophobicContact CG-CG1 4.09Å; F92-V243 HydrophobicContact CE2-CB 4.46Å; F92-V243 HydrophobicContact CE2-CG2 3.88Å; L239-V243 HydrophobicContact CD1-CG2 4.24Å; L239-V243 HydrophobicContact CG-CG2 4.42Å; L239-V243 WeakPolarHBondContact O-CG2 3.39Å; L239-V243 PolarHBondContact O-N 3Å; V243-S245 VanDerWaalsContact C-N 3.34Å; V243-S245 PolarHBondContact O-N 3.15Å; V243-A246 PolarHBondContact O-N 2.84Å; V243-H247 VanDerWaalsContact O-CB 3.28Å; V243-H247 WeakPolarHBondContact O-CB 3.3Å; V243-H247 PolarHBondContact O-N 3.12Å
244S92.6Very high91.6Very high9 Ų926.5 Ų26.56%0.06315%0.149CC..Hα-helixtrans-65.5-39180-550000111.7R240 L242 A248R240-S244 VanDerWaalsContact O-CB 3.24Å; R240-S244 WeakPolarHBondContact O-CB 3.37Å; R240-S244 PolarHBondContact O-N 3.11Å; R240-S244 PolarHBondContact O-OG 3.45Å; L242-S244 PolarHBondContact O-N 3.38Å; S244-A248 WeakPolarHBondContact O-CB 3.33Å; S244-A248 PolarHBondContact O-N 3.22Å
245S92.9Very high91Very high23 Ų2323.6 Ų23.616%0.16113%0.134CC..Hα-helixtrans-68.5-36.3177.2-57.10000112.6C56 A60 C241 L242 V243 P249C56-S245 WeakPolarHBondContact CB-OG 3.25Å; A60-S245 WeakPolarHBondContact CB-O 3.17Å; C241-S245 VanDerWaalsContact O-CB 3.25Å; C241-S245 WeakPolarHBondContact O-CB 3.46Å; C241-S245 PolarHBondContact O-N 2.91Å; C241-S245 PolarHBondContact O-OG 2.9Å; L242-S245 PolarHBondContact O-N 3.3Å; V243-S245 VanDerWaalsContact C-N 3.34Å; V243-S245 PolarHBondContact O-N 3.15Å; S245-P249 WeakPolarHBondContact O-CD 3.45Å; S245-P249 WeakPolarHBondContact O-CG 3.35Å
246A93.7Very high90.1Very high6 Ų621.9 Ų21.95%0.0513%0.126CC..Hα-helixtrans-73.5-41.2176.600000112T84 L88 L242 V243T84-A246 HydrophobicContact CG2-CB 4.14Å; L88-A246 HydrophobicContact CD1-CB 4.24Å; L242-A246 WeakPolarHBondContact O-CB 3.46Å; L242-A246 PolarHBondContact O-N 3.09Å; V243-A246 PolarHBondContact O-N 2.84Å
247H93.2Very high89.4Confident10 Ų1022.1 Ų22.15%0.04613%0.127CC..Hα-helixtrans-85-37.7-171.8-165.9-75.7000113.7Q21 I25 F29 M89 V243 P249 I250Q21-H247 PolarHBondContact OE1-NE2 2.68Å; I25-H247 VanDerWaalsContact CG1-CE1 3.45Å; I25-H247 WeakPolarHBondContact CG1-CE1 3.41Å; F29-H247 HydrophobicContact CE2-CB 4.42Å; F29-H247 AromaticContact CE2-CD2 3.99Å; F29-H247 AromaticContact CE2-CG 3.88Å; F29-H247 HydrophobicContact CZ-CB 3.77Å; F29-H247 AromaticContact CZ-CG 3.73Å; M89-H247 VanDerWaalsContact CE-CD2 3.49Å; M89-H247 WeakPolarHBondContact CE-CD2 3.45Å; V243-H247 VanDerWaalsContact O-CB 3.28Å; V243-H247 WeakPolarHBondContact O-CB 3.3Å; V243-H247 PolarHBondContact O-N 3.12Å; H247-P249 VanDerWaalsContact C-CD 3.5Å; H247-I250 VanDerWaalsContact O-CB 3.25Å; H247-I250 WeakPolarHBondContact O-CB 3.48Å; H247-I250 WeakPolarHBondContact O-CG1 3.48Å; H247-I250 PolarHBondContact O-N 3.31Å
248A89Confident88.8Confident10 Ų1020.5 Ų20.58%0.08312%0.119CC..Hα-helixtrans-59.8-41.8-173.300000115.1S57 R61 S244 I250 S251S57-A248 WeakPolarHBondContact OG-CB 3.34Å; R61-A248 HydrophobicContact CG-CB 4.06Å; S244-A248 WeakPolarHBondContact O-CB 3.33Å; S244-A248 PolarHBondContact O-N 3.22Å; A248-I250 PolarHBondContact O-N 3.32Å; A248-S251 PolarHBondContact O-OG 3.21Å
249P88.6Confident87.8Confident1 Ų119 Ų191%0.00611%0.109CC..Hα-helixtrans-65.8-23179.5-17.430.3000113.7A60 F64 L81 S245 H247 S251 N252 L253A60-P249 HydrophobicContact CB-CG 4.12Å; F64-P249 HydrophobicContact CB-CB 3.84Å; F64-P249 HydrophobicContact CB-CG 4.02Å; F64-P249 HydrophobicContact CD2-CG 3.96Å; F64-P249 HydrophobicContact CG-CG 4.32Å; L81-P249 HydrophobicContact CD1-CB 4.03Å; L81-P249 HydrophobicContact CD1-CG 4.5Å; S245-P249 WeakPolarHBondContact O-CD 3.45Å; S245-P249 WeakPolarHBondContact O-CG 3.35Å; H247-P249 VanDerWaalsContact C-CD 3.5Å; P249-S251 VanDerWaalsContact C-N 3.29Å; P249-S251 PolarHBondContact O-N 3.35Å; P249-N252 PolarHBondContact O-N 3.26Å; P249-L253 WeakPolarHBondContact O-CB 3.37Å; P249-L253 VanDerWaalsContact O-CG 3.31Å; P249-L253 WeakPolarHBondContact O-CG 3.44Å; P249-L253 PolarHBondContact O-N 2.93Å
250I90.1Very high86.8Confident0 Ų020.4 Ų20.40%012%0.12CC..Hα-helixtrans-55.2-46.2-179.4-60.4178.5000110.4Q21 L78 L81 H247 A248 L253 L254Q21-I250 HydrophobicContact CG-CG2 3.7Å; L78-I250 HydrophobicContact CD1-CB 4.25Å; L78-I250 HydrophobicContact CD1-CG2 3.65Å; L81-I250 HydrophobicContact CB-CD1 4.37Å; L81-I250 HydrophobicContact CB-CG1 4Å; H247-I250 VanDerWaalsContact O-CB 3.25Å; H247-I250 WeakPolarHBondContact O-CB 3.48Å; H247-I250 WeakPolarHBondContact O-CG1 3.48Å; H247-I250 PolarHBondContact O-N 3.31Å; A248-I250 PolarHBondContact O-N 3.32Å; I250-L253 PolarHBondContact O-N 3.43Å; I250-L254 HydrophobicContact CG2-CD1 4.16Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 3.21Å
251S86.2Confident85.9Confident22 Ų2221.5 Ų21.515%0.15413%0.126CC..Hα-helixtrans-62.1-46179.663.20000112.6A248 P249 L253 L254 D255A248-S251 PolarHBondContact O-OG 3.21Å; P249-S251 VanDerWaalsContact C-N 3.29Å; P249-S251 PolarHBondContact O-N 3.35Å; S251-L253 VanDerWaalsContact C-N 3.33Å; S251-L253 PolarHBondContact O-N 2.93Å; S251-L254 PolarHBondContact O-N 2.99Å; S251-D255 VanDerWaalsContact O-CG 3.25Å; S251-D255 PolarHBondContact O-N 3.47Å
252N80.9Confident84.9Confident40 Ų4021.5 Ų21.521%0.21413%0.125CC..Hα-helixtrans-63-39.7177-71.85.3000112P249 D255 S256P249-N252 PolarHBondContact O-N 3.26Å; N252-D255 PolarHBondContact O-N 2.9Å; N252-S256 WeakPolarHBondContact O-CB 3.44Å; N252-S256 PolarHBondContact O-N 3.25Å
253L83.3Confident83.7Confident8 Ų819 Ų194%0.04212%0.12CC..Hα-helixtrans-65.7-42.8176.8-71.5170.6000111.1A68 V77 L78 L81 P249 I250 S251 D255 S256 V257A68-L253 HydrophobicContact CB-CD2 3.3Å; V77-L253 HydrophobicContact CG1-CD1 4.17Å; L78-L253 HydrophobicContact CD1-CB 4.22Å; L78-L253 HydrophobicContact CD1-CD1 4.49Å; L81-L253 HydrophobicContact CD1-CD1 3.72Å; P249-L253 WeakPolarHBondContact O-CB 3.37Å; P249-L253 VanDerWaalsContact O-CG 3.31Å; P249-L253 WeakPolarHBondContact O-CG 3.44Å; P249-L253 PolarHBondContact O-N 2.93Å; I250-L253 PolarHBondContact O-N 3.43Å; S251-L253 VanDerWaalsContact C-N 3.33Å; S251-L253 PolarHBondContact O-N 2.93Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.93Å; L253-S256 PolarHBondContact O-N 2.86Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.15Å; L253-V257 PolarHBondContact O-N 2.88Å
254L85.6Confident82.3Confident1 Ų124.3 Ų24.31%0.00516%0.157CC..Hα-helixtrans-62-42.2175.3-71.7174000111.9V14 N17 F18 Q21 L78 I250 S251 V257 T258V14-L254 HydrophobicContact CG1-CD2 4.31Å; N17-L254 HydrophobicContact CB-CD1 4.12Å; N17-L254 HydrophobicContact CB-CD2 3.67Å; F18-L254 HydrophobicContact CD1-CB 4.15Å; F18-L254 HydrophobicContact CD1-CD1 3.96Å; F18-L254 HydrophobicContact CE1-CB 3.54Å; F18-L254 HydrophobicContact CE1-CD1 4.2Å; F18-L254 HydrophobicContact CE2-CB 4.29Å; F18-L254 HydrophobicContact CG-CD1 4.38Å; F18-L254 HydrophobicContact CZ-CB 3.64Å; Q21-L254 HydrophobicContact CG-CD1 4.15Å; L78-L254 HydrophobicContact CD1-CD2 4.42Å; L78-L254 HydrophobicContact CD1-CG 4.36Å; L78-L254 HydrophobicContact CD2-CD2 3.89Å; I250-L254 HydrophobicContact CG2-CD1 4.16Å; I250-L254 VanDerWaalsContact O-CG 3.3Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 3.21Å; S251-L254 PolarHBondContact O-N 2.99Å; L254-V257 PolarHBondContact O-N 3.38Å; L254-T258 WeakPolarHBondContact O-CB 3.24Å; L254-T258 PolarHBondContact O-N 2.93Å; L254-T258 PolarHBondContact O-OG1 2.69Å
255D81.1Confident80.8Confident27 Ų2731.9 Ų31.914%0.14419%0.191CC..Hα-helixtrans-62.4-48.7177.3-65.7-18.7000110.2F18 S251 N252 L253 V257 T258 F259 Y270 R274F18-D255 WeakPolarHBondContact CE1-OD1 3.43Å; F18-D255 VanDerWaalsContact CZ-OD1 3.25Å; F18-D255 WeakPolarHBondContact CZ-OD1 3.13Å; S251-D255 VanDerWaalsContact O-CG 3.25Å; S251-D255 PolarHBondContact O-N 3.47Å; N252-D255 PolarHBondContact O-N 2.9Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-D255 PolarHBondContact O-N 2.93Å; D255-V257 PolarHBondContact O-N 3.24Å; D255-T258 WeakPolarHBondContact O-CB 3.14Å; D255-T258 PolarHBondContact O-N 2.94Å; D255-T258 VanDerWaalsContact O-N 3.15Å; D255-F259 WeakPolarHBondContact O-CD2 3.03Å; D255-F259 PolarHBondContact O-N 2.89Å; D255-Y270 HydrophobicContact CB-CE2 4.21Å; D255-Y270 PolarHBondContact OD1-OH 3.34Å; D255-Y270 PolarHBondContact OD2-OH 3.29Å; D255-R274 IonicContact OD1-CZ 2.73Å; D255-R274 IonicContact OD1-NH1 2.77Å; D255-R274 PolarHBondContact OD1-NH1 2.96Å; D255-R274 IonicContact OD2-NH1 3.89Å; D255-R274 PolarHBondContact OD2-NH1 3.1Å
256S75.7Confident79.8Confident47 Ų4736.2 Ų36.233%0.32921%0.208SC..Hα-helixtrans-61.2-41177.3-170.50000112.9R74 N252 L253 T258 F259 S260R74-S256 PolarHBondContact NH1-OG 3.33Å; R74-S256 PolarHBondContact NH2-OG 3.08Å; N252-S256 WeakPolarHBondContact O-CB 3.44Å; N252-S256 PolarHBondContact O-N 3.25Å; L253-S256 PolarHBondContact O-N 2.86Å; S256-T258 VanDerWaalsContact C-N 3.33Å; S256-F259 PolarHBondContact O-N 2.9Å; S256-S260 WeakPolarHBondContact O-CB 3.24Å; S256-S260 PolarHBondContact O-N 3.43Å; S256-S260 VanDerWaalsContact O-N 3.07Å
257V79.3Confident78.4Confident6 Ų637 Ų374%0.03621%0.214CC..Hα-helixtrans-65-39.2175.3168.20000111.3V14 R74 L253 L254 D255 S260 I261 Y351V14-V257 HydrophobicContact CG2-CG1 3.83Å; R74-V257 HydrophobicContact CB-CG2 4.38Å; L253-V257 WeakPolarHBondContact O-CB 3.22Å; L253-V257 WeakPolarHBondContact O-CG2 3.15Å; L253-V257 PolarHBondContact O-N 2.88Å; L254-V257 PolarHBondContact O-N 3.38Å; D255-V257 PolarHBondContact O-N 3.24Å; V257-S260 WeakPolarHBondContact O-CB 3.37Å; V257-S260 PolarHBondContact O-N 3.44Å; V257-I261 HydrophobicContact CG1-CD1 3.76Å; V257-I261 HydrophobicContact CG1-CG1 4.43Å; V257-I261 WeakPolarHBondContact O-CG1 3.5Å; V257-I261 PolarHBondContact O-N 3.28Å; V257-Y351 HydrophobicContact CB-CD2 4.34Å; V257-Y351 HydrophobicContact CB-CE2 4.17Å; V257-Y351 HydrophobicContact CG1-CD2 3.97Å; V257-Y351 HydrophobicContact CG1-CE2 4.2Å; V257-Y351 HydrophobicContact CG2-CD2 3.79Å; V257-Y351 HydrophobicContact CG2-CE2 3.71Å
258T80.8Confident77.1Confident0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-64.8-44.5179.4-57.80000111.3L11 V14 F18 L254 D255 S256 S260 I261 L262 Y270L11-T258 HydrophobicContact CD1-CG2 4.2Å; V14-T258 VanDerWaalsContact CG1-OG1 3.31Å; V14-T258 WeakPolarHBondContact CG1-OG1 3.31Å; F18-T258 WeakPolarHBondContact CE2-OG1 2.85Å; L254-T258 WeakPolarHBondContact O-CB 3.24Å; L254-T258 PolarHBondContact O-N 2.93Å; L254-T258 PolarHBondContact O-OG1 2.69Å; D255-T258 WeakPolarHBondContact O-CB 3.14Å; D255-T258 PolarHBondContact O-N 2.94Å; D255-T258 VanDerWaalsContact O-N 3.15Å; S256-T258 VanDerWaalsContact C-N 3.33Å; T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.33Å; T258-I261 PolarHBondContact O-N 3.45Å; T258-L262 HydrophobicContact CG2-CD1 3.77Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CB 3.43Å; T258-L262 VanDerWaalsContact O-CG 3.28Å; T258-L262 WeakPolarHBondContact O-CG 3.48Å; T258-L262 PolarHBondContact O-N 2.72Å; T258-Y270 HydrophobicContact CG2-CD2 3.66Å; T258-Y270 HydrophobicContact CG2-CE2 4.27Å
259F74.4Confident76.4Confident63 Ų6346.2 Ų46.228%0.27625%0.254SS..Hα-helixtrans-62.8-39.9174.6-76.6-64.8000112.2D255 S256 L262 G263 Y270D255-F259 WeakPolarHBondContact O-CD2 3.03Å; D255-F259 PolarHBondContact O-N 2.89Å; S256-F259 PolarHBondContact O-N 2.9Å; F259-L262 PolarHBondContact O-N 3.48Å; F259-G263 PolarHBondContact O-N 3.46Å; F259-Y270 HydrophobicContact CD1-CD2 4.46Å; F259-Y270 HydrophobicContact CD2-CD2 4.24Å; F259-Y270 HydrophobicContact CD2-CE2 4.26Å; F259-Y270 HydrophobicContact CE1-CD1 4.26Å; F259-Y270 HydrophobicContact CE1-CD2 4.02Å; F259-Y270 AromaticContact CE1-CG 3.78Å; F259-Y270 HydrophobicContact CE1-CG 3.78Å; F259-Y270 HydrophobicContact CE2-CD1 4.35Å; F259-Y270 AromaticContact CE2-CD2 3.78Å; F259-Y270 HydrophobicContact CE2-CD2 3.78Å; F259-Y270 HydrophobicContact CE2-CE1 4.25Å; F259-Y270 AromaticContact CE2-CE2 3.68Å; F259-Y270 HydrophobicContact CE2-CE2 3.68Å; F259-Y270 HydrophobicContact CE2-CG 4.12Å; F259-Y270 AromaticContact CE2-CZ 3.92Å; F259-Y270 AromaticContact CZ-CD1 3.67Å; F259-Y270 HydrophobicContact CZ-CD1 3.67Å; F259-Y270 AromaticContact CZ-CD2 3.66Å; F259-Y270 HydrophobicContact CZ-CD2 3.66Å; F259-Y270 AromaticContact CZ-CE1 3.94Å; F259-Y270 HydrophobicContact CZ-CE1 3.94Å; F259-Y270 AromaticContact CZ-CE2 3.95Å; F259-Y270 HydrophobicContact CZ-CE2 3.95Å; F259-Y270 AromaticContact CZ-CG 3.52Å; F259-Y270 HydrophobicContact CZ-CG 3.52Å
260S73.6Confident75.7Confident43 Ų4348.3 Ų48.330%0.30126%0.262SS..Hα-helixtrans-60.8-44.4176.3-177.30000112.6S256 V257 T258 Y351S256-S260 WeakPolarHBondContact O-CB 3.24Å; S256-S260 PolarHBondContact O-N 3.43Å; S256-S260 VanDerWaalsContact O-N 3.07Å; V257-S260 WeakPolarHBondContact O-CB 3.37Å; V257-S260 PolarHBondContact O-N 3.44Å; T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.33Å; S260-Y351 WeakPolarHBondContact CB-OH 3.18Å; S260-Y351 PolarHBondContact OG-OH 3.2Å; S260-Y351 VanDerWaalsContact OG-OH 3.09Å
261I77.5Confident74.9Confident28 Ų2849.3 Ų49.314%0.14427%0.273CS..Hα-helixtrans-72.9-34.5179.6-66.2169.3000112.4N8 K10 V14 V257 T258N8-I261 WeakPolarHBondContact ND2-CG2 3.48Å; K10-I261 HydrophobicContact CB-CG2 4.34Å; V14-I261 HydrophobicContact CG2-CD1 3.83Å; V257-I261 HydrophobicContact CG1-CD1 3.76Å; V257-I261 HydrophobicContact CG1-CG1 4.43Å; V257-I261 WeakPolarHBondContact O-CG1 3.5Å; V257-I261 PolarHBondContact O-N 3.28Å; T258-I261 PolarHBondContact O-N 3.45Å
262L74.6Confident74.5Confident19 Ų1954.6 Ų54.610%0.09929%0.293CS..Hα-helixtrans-75.3-38179.5-72.1172.4000111.9L11 T258 F259 K266 F269L11-L262 HydrophobicContact CD2-CD2 4.4Å; T258-L262 HydrophobicContact CG2-CD1 3.77Å; T258-L262 HydrophobicContact CG2-CG 4.38Å; T258-L262 WeakPolarHBondContact O-CB 3.43Å; T258-L262 VanDerWaalsContact O-CG 3.28Å; T258-L262 WeakPolarHBondContact O-CG 3.48Å; T258-L262 PolarHBondContact O-N 2.72Å; F259-L262 PolarHBondContact O-N 3.48Å; L262-K266 HydrophobicContact CB-CB 4.21Å; L262-K266 HydrophobicContact CD2-CB 4.11Å; L262-K266 WeakPolarHBondContact O-CB 3.43Å; L262-F269 HydrophobicContact CD2-CB 4.11Å
263G69.1Low74.4Confident35 Ų3552.8 Ų52.836%0.36128%0.283SS..THydrogen-bonded Turntrans70.7177.9-169.700000112.8F259 A267F259-G263 PolarHBondContact O-N 3.46Å; G263-A267 PolarHBondContact O-N 3.12Å
264S65.3Low74.4Confident112 Ų11254.7 Ų54.778%0.78329%0.29SS*.THydrogen-bonded Turntrans-62.3-43-176.850.30000112.9K266 A267S264-K266 PolarHBondContact O-N 3.13Å; S264-A267 WeakPolarHBondContact O-CB 3.49Å; S264-A267 PolarHBondContact O-N 2.98Å
265E62.6Low74.4Confident168 Ų16855.3 Ų55.379%0.78530%0.296SS*.THydrogen-bonded Turntrans-65.1-36.6-176.7-64.6-175.217000113.5H268E265-H268 PolarHBondContact O-CE1 2.78Å; E265-H268 PolarHBondContact O-ND1 2.98Å
266K70.3Confident74.8Confident115 Ų11556.8 Ų56.850%0.530%0.303SS..THydrogen-bonded Turntrans-103.312.2-176.4-65.2177.8-175.1170.30112.9L262 S264 H268 F269L262-K266 HydrophobicContact CB-CB 4.21Å; L262-K266 HydrophobicContact CD2-CB 4.11Å; L262-K266 WeakPolarHBondContact O-CB 3.43Å; S264-K266 PolarHBondContact O-N 3.13Å; K266-H268 PolarHBondContact O-N 3.47Å; K266-H268 VanDerWaalsContact O-N 3.14Å; K266-F269 HydrophobicContact CB-CD2 3.87Å; K266-F269 HydrophobicContact CG-CD2 4.12Å; K266-F269 HydrophobicContact CG-CE2 4.34Å; K266-F269 WeakPolarHBondContact O-CB 3.36Å; K266-F269 PolarHBondContact O-N 3.34Å
267A65Low75.5Confident23 Ų2354.6 Ų54.619%0.1929%0.288CS..G310 helixtrans-55.2-32.5178.500000112.6G263 S264 F269 Y270G263-A267 PolarHBondContact O-N 3.12Å; S264-A267 WeakPolarHBondContact O-CB 3.49Å; S264-A267 PolarHBondContact O-N 2.98Å; A267-F269 PolarHBondContact O-N 2.93Å; A267-F269 VanDerWaalsContact O-N 3.16Å; A267-Y270 WeakPolarHBondContact O-CB 3.4Å; A267-Y270 PolarHBondContact O-N 3.01Å
268H66.7Low76.1Confident135 Ų13554.7 Ų54.763%0.62529%0.289SS*.G310 helixtrans-63-18.6175.568.2-86.6000114.2E265 K266 Y270E265-H268 PolarHBondContact O-CE1 2.78Å; E265-H268 PolarHBondContact O-ND1 2.98Å; K266-H268 PolarHBondContact O-N 3.47Å; K266-H268 VanDerWaalsContact O-N 3.14Å; H268-Y270 VanDerWaalsContact C-N 3.32Å
269F73Confident76.7Confident78 Ų7858.7 Ų58.734%0.34231%0.306SS..G310 helixtrans-82.3-6.7172.7-68.8-64.3000113.7L262 K266 A267 G271 K272 S273L262-F269 HydrophobicContact CD2-CB 4.11Å; K266-F269 HydrophobicContact CB-CD2 3.87Å; K266-F269 HydrophobicContact CG-CD2 4.12Å; K266-F269 HydrophobicContact CG-CE2 4.34Å; K266-F269 WeakPolarHBondContact O-CB 3.36Å; K266-F269 PolarHBondContact O-N 3.34Å; A267-F269 PolarHBondContact O-N 2.93Å; A267-F269 VanDerWaalsContact O-N 3.16Å; F269-G271 PolarHBondContact O-N 3.35Å; F269-K272 HydrophobicContact CD1-CD 3.95Å; F269-K272 WeakPolarHBondContact O-CB 3.17Å; F269-K272 PolarHBondContact O-N 3.38Å; F269-S273 PolarHBondContact O-N 2.9Å
270Y74.2Confident77.7Confident44 Ų4455.7 Ų55.717%0.17329%0.293CS..Hα-helixtrans-52.1-44.6175.8168.3-103000111.6D255 T258 F259 A267 H268 K272 S273 R274D255-Y270 HydrophobicContact CB-CE2 4.21Å; D255-Y270 PolarHBondContact OD1-OH 3.34Å; D255-Y270 PolarHBondContact OD2-OH 3.29Å; T258-Y270 HydrophobicContact CG2-CD2 3.66Å; T258-Y270 HydrophobicContact CG2-CE2 4.27Å; F259-Y270 HydrophobicContact CD1-CD2 4.46Å; F259-Y270 HydrophobicContact CD2-CD2 4.24Å; F259-Y270 HydrophobicContact CD2-CE2 4.26Å; F259-Y270 HydrophobicContact CE1-CD1 4.26Å; F259-Y270 HydrophobicContact CE1-CD2 4.02Å; F259-Y270 AromaticContact CE1-CG 3.78Å; F259-Y270 HydrophobicContact CE1-CG 3.78Å; F259-Y270 HydrophobicContact CE2-CD1 4.35Å; F259-Y270 AromaticContact CE2-CD2 3.78Å; F259-Y270 HydrophobicContact CE2-CD2 3.78Å; F259-Y270 HydrophobicContact CE2-CE1 4.25Å; F259-Y270 AromaticContact CE2-CE2 3.68Å; F259-Y270 HydrophobicContact CE2-CE2 3.68Å; F259-Y270 HydrophobicContact CE2-CG 4.12Å; F259-Y270 AromaticContact CE2-CZ 3.92Å; F259-Y270 AromaticContact CZ-CD1 3.67Å; F259-Y270 HydrophobicContact CZ-CD1 3.67Å; F259-Y270 AromaticContact CZ-CD2 3.66Å; F259-Y270 HydrophobicContact CZ-CD2 3.66Å; F259-Y270 AromaticContact CZ-CE1 3.94Å; F259-Y270 HydrophobicContact CZ-CE1 3.94Å; F259-Y270 AromaticContact CZ-CE2 3.95Å; F259-Y270 HydrophobicContact CZ-CE2 3.95Å; F259-Y270 AromaticContact CZ-CG 3.52Å; F259-Y270 HydrophobicContact CZ-CG 3.52Å; A267-Y270 WeakPolarHBondContact O-CB 3.4Å; A267-Y270 PolarHBondContact O-N 3.01Å; H268-Y270 VanDerWaalsContact C-N 3.32Å; Y270-K272 PolarHBondContact O-N 3.48Å; Y270-S273 WeakPolarHBondContact O-CA 3.08Å; Y270-S273 WeakPolarHBondContact O-CB 3.19Å; Y270-S273 PolarHBondContact O-N 2.98Å; Y270-R274 HydrophobicContact CE1-CB 4.28Å; Y270-R274 PolarHBondContact O-N 2.86Å
271G73Confident78.7Confident22 Ų2255.6 Ų55.623%0.22729%0.287CS..Hα-helixtrans-56.1-34.4177.600000113.3F269 R274 A275F269-G271 PolarHBondContact O-N 3.35Å; G271-R274 PolarHBondContact O-N 3.26Å; G271-A275 WeakPolarHBondContact O-CB 3.25Å; G271-A275 PolarHBondContact O-N 3.25Å
272K78.6Confident79.5Confident132 Ų13255.9 Ų55.957%0.57429%0.288SS*.Hα-helixtrans-72.3-32.9176.2-62-167.9-174.7-179.70112.8F269 Y270F269-K272 HydrophobicContact CD1-CD 3.95Å; F269-K272 WeakPolarHBondContact O-CB 3.17Å; F269-K272 PolarHBondContact O-N 3.38Å; Y270-K272 PolarHBondContact O-N 3.48Å
273S79.1Confident80.5Confident2 Ų257.9 Ų57.91%0.01430%0.299CS..Hα-helixtrans-71.4-43.2173.9-59.70000110.8L11 F269 Y270 L276L11-S273 WeakPolarHBondContact CD2-OG 3.5Å; F269-S273 PolarHBondContact O-N 2.9Å; Y270-S273 WeakPolarHBondContact O-CA 3.08Å; Y270-S273 WeakPolarHBondContact O-CB 3.19Å; Y270-S273 PolarHBondContact O-N 2.98Å; S273-L276 PolarHBondContact O-N 3.42Å
274R82.9Confident81.8Confident48 Ų4856.2 Ų56.218%0.18128%0.282CS..Hα-helixtrans-68.5-36.4179.2-178.260-179.3-147.9-6.1113.2D255 Y270 G271 L276 G277 S278D255-R274 IonicContact OD1-CZ 2.73Å; D255-R274 IonicContact OD1-NH1 2.77Å; D255-R274 PolarHBondContact OD1-NH1 2.96Å; D255-R274 IonicContact OD2-NH1 3.89Å; D255-R274 PolarHBondContact OD2-NH1 3.1Å; Y270-R274 HydrophobicContact CE1-CB 4.28Å; Y270-R274 PolarHBondContact O-N 2.86Å; G271-R274 PolarHBondContact O-N 3.26Å; R274-L276 PolarHBondContact O-N 3.15Å; R274-L276 VanDerWaalsContact O-N 3.16Å; R274-G277 WeakPolarHBondContact O-CA 3.32Å; R274-G277 PolarHBondContact O-N 3.25Å; R274-S278 PolarHBondContact O-N 3.19Å
275A84.9Confident83.2Confident15 Ų1550.9 Ų50.912%0.12424%0.244CC..Hα-helixtrans-58.3-27.8177.800000113G271 G277 S278 F279G271-A275 WeakPolarHBondContact O-CB 3.25Å; G271-A275 PolarHBondContact O-N 3.25Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.45Å; A275-S278 PolarHBondContact O-N 3.3Å; A275-F279 PolarHBondContact O-N 3.19Å
276L89.6Confident84.8Confident58 Ų5845.7 Ų45.730%0.30422%0.221SC..Hα-helixtrans-69.2-27.3174.3-166.868.2000112.4K15 F19 S273 R274 F279 G280K15-L276 HydrophobicContact CB-CD2 3.5Å; K15-L276 HydrophobicContact CD-CD2 4.42Å; K15-L276 HydrophobicContact CG-CD2 4Å; K15-L276 WeakPolarHBondContact O-CD2 3.37Å; F19-L276 HydrophobicContact CB-CD2 4.48Å; F19-L276 HydrophobicContact CB-CG 4.2Å; S273-L276 PolarHBondContact O-N 3.42Å; R274-L276 PolarHBondContact O-N 3.15Å; R274-L276 VanDerWaalsContact O-N 3.16Å; L276-F279 HydrophobicContact CD1-CD1 4.17Å; L276-F279 PolarHBondContact O-N 2.84Å; L276-G280 PolarHBondContact O-N 3.44Å
277G91.5Very high86Confident0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-64.2-51.4167.900000111.5F22 R274 A275 F279 G280 F281F22-G277 WeakPolarHBondContact CB-O 3.33Å; F22-G277 WeakPolarHBondContact CG-O 3.14Å; R274-G277 WeakPolarHBondContact O-CA 3.32Å; R274-G277 PolarHBondContact O-N 3.25Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.45Å; G277-F279 PolarHBondContact O-N 3.42Å; G277-G280 WeakPolarHBondContact O-CA 3.32Å; G277-G280 PolarHBondContact O-N 2.85Å; G277-F281 PolarHBondContact O-N 3.18Å
278S91.6Very high87.5Confident9 Ų943.5 Ų43.56%0.06321%0.212CC..Hα-helixtrans-56-40.6174.4-58.80000111.3R274 A275 G280 F281 M282 I418 E421R274-S278 PolarHBondContact O-N 3.19Å; A275-S278 PolarHBondContact O-N 3.3Å; S278-G280 VanDerWaalsContact C-N 3.34Å; S278-G280 PolarHBondContact O-N 2.96Å; S278-F281 VanDerWaalsContact O-CB 3.27Å; S278-F281 WeakPolarHBondContact O-CB 3.41Å; S278-F281 PolarHBondContact O-N 3.25Å; S278-F281 VanDerWaalsContact O-N 3.12Å; S278-M282 PolarHBondContact O-N 3.42Å; S278-I418 WeakPolarHBondContact O-CG2 3.38Å; S278-E421 PolarHBondContact OG-OE1 3.29Å
279F92.9Very high88.8Confident83 Ų8337.1 Ų37.136%0.36418%0.182SC..Hα-helixtrans-61.6-38.7174-173.3-108.5000113.3F19 A275 L276 G277 M282 I283 I422F19-F279 HydrophobicContact CD2-CD1 4Å; F19-F279 AromaticContact CE2-CD1 3.68Å; F19-F279 HydrophobicContact CE2-CD1 3.68Å; F19-F279 HydrophobicContact CE2-CE1 4.06Å; A275-F279 PolarHBondContact O-N 3.19Å; L276-F279 HydrophobicContact CD1-CD1 4.17Å; L276-F279 PolarHBondContact O-N 2.84Å; G277-F279 PolarHBondContact O-N 3.42Å; F279-M282 HydrophobicContact CD2-CE 3.48Å; F279-M282 VanDerWaalsContact CD2-CE 3.48Å; F279-M282 HydrophobicContact CE2-CE 3.3Å; F279-M282 HydrophobicContact CZ-CE 4.23Å; F279-M282 WeakPolarHBondContact O-CB 3.36Å; F279-M282 PolarHBondContact O-N 2.72Å; F279-I283 HydrophobicContact CD1-CD1 4.15Å; F279-I283 HydrophobicContact CE1-CD1 3.46Å; F279-I283 VanDerWaalsContact CE1-CD1 3.46Å; F279-I283 HydrophobicContact CE1-CG1 4.34Å; F279-I283 HydrophobicContact CE2-CD1 4.44Å; F279-I283 HydrophobicContact CZ-CD1 3.64Å; F279-I283 HydrophobicContact CZ-CG1 4.33Å; F279-I283 PolarHBondContact O-N 2.94Å; F279-I283 VanDerWaalsContact O-N 3.09Å; F279-I422 HydrophobicContact CB-CD1 4.3Å
280G94.9Very high89.8Confident0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-61.9-41.117100000112.9F19 C23 L276 G277 S278 M282 I283 G284F19-G280 VanDerWaalsContact CE2-CA 3.43Å; C23-G280 VanDerWaalsContact CA-O 3.28Å; C23-G280 WeakPolarHBondContact CA-O 3.18Å; C23-G280 WeakPolarHBondContact CB-O 3.26Å; L276-G280 PolarHBondContact O-N 3.44Å; G277-G280 WeakPolarHBondContact O-CA 3.32Å; G277-G280 PolarHBondContact O-N 2.85Å; S278-G280 VanDerWaalsContact C-N 3.34Å; S278-G280 PolarHBondContact O-N 2.96Å; G280-M282 VanDerWaalsContact C-N 3.32Å; G280-M282 PolarHBondContact O-N 3.36Å; G280-I283 PolarHBondContact O-N 3.45Å; G280-G284 PolarHBondContact O-N 3.48Å
281F95.3Very high90.8Very high41 Ų4137.4 Ų37.418%0.1819%0.189CC..Hα-helixtrans-60.9-40.1175-162.1-80.9000112.2F22 I25 S26 I30 G277 S278 S285 T414 I418F22-F281 HydrophobicContact CB-CB 4.22Å; F22-F281 HydrophobicContact CD1-CB 4.45Å; F22-F281 HydrophobicContact CD1-CD2 4.35Å; I25-F281 HydrophobicContact CB-CD2 4.48Å; I25-F281 HydrophobicContact CB-CE2 4.4Å; I25-F281 HydrophobicContact CG2-CD2 4.29Å; I25-F281 HydrophobicContact CG2-CE2 3.75Å; S26-F281 WeakPolarHBondContact CB-O 3.41Å; S26-F281 PolarHBondContact OG-O 3.36Å; S26-F281 VanDerWaalsContact OG-O 3.05Å; I30-F281 HydrophobicContact CD1-CE1 3.59Å; I30-F281 HydrophobicContact CD1-CE2 4.18Å; I30-F281 HydrophobicContact CD1-CZ 3.32Å; I30-F281 HydrophobicContact CG1-CZ 4.05Å; G277-F281 PolarHBondContact O-N 3.18Å; S278-F281 VanDerWaalsContact O-CB 3.27Å; S278-F281 WeakPolarHBondContact O-CB 3.41Å; S278-F281 PolarHBondContact O-N 3.25Å; S278-F281 VanDerWaalsContact O-N 3.12Å; F281-S285 WeakPolarHBondContact O-CB 3.39Å; F281-S285 PolarHBondContact O-N 2.71Å; F281-S285 VanDerWaalsContact O-N 3.07Å; F281-S285 PolarHBondContact O-OG 3.28Å; F281-T414 HydrophobicContact CE1-CG2 4.32Å; F281-I418 HydrophobicContact CD1-CD1 4.04Å; F281-I418 HydrophobicContact CD1-CG1 3.97Å; F281-I418 HydrophobicContact CE1-CD1 4.49Å
282M95.2Very high91.7Very high34 Ų3436.4 Ų36.417%0.16718%0.178CC..Hα-helixtrans-62.8-51.5175.4-173.9-172.973.800111.6S278 F279 G280 S285 L286 T415 I418S278-M282 PolarHBondContact O-N 3.42Å; F279-M282 HydrophobicContact CD2-CE 3.48Å; F279-M282 VanDerWaalsContact CD2-CE 3.48Å; F279-M282 HydrophobicContact CE2-CE 3.3Å; F279-M282 HydrophobicContact CZ-CE 4.23Å; F279-M282 WeakPolarHBondContact O-CB 3.36Å; F279-M282 PolarHBondContact O-N 2.72Å; G280-M282 VanDerWaalsContact C-N 3.32Å; G280-M282 PolarHBondContact O-N 3.36Å; M282-S285 PolarHBondContact O-OG 3.48Å; M282-L286 WeakPolarHBondContact O-CB 3.22Å; M282-L286 PolarHBondContact O-N 3.07Å; M282-L286 VanDerWaalsContact O-N 3.12Å; M282-T415 HydrophobicContact CG-CG2 3.73Å; M282-T415 HydrophobicContact SD-CG2 4.2Å; M282-I418 HydrophobicContact CB-CB 4.12Å; M282-I418 HydrophobicContact CB-CG2 3.83Å; M282-I418 HydrophobicContact CG-CB 4.43Å; M282-I418 HydrophobicContact CG-CG2 4.44Å
283I95.9Very high92.3Very high62 Ų6235.6 Ų35.632%0.31817%0.173SC..Hα-helixtrans-64.9-43.3-179.4-68.3-173.8000111.1F19 F279 G280 L286 L287F19-I283 HydrophobicContact CE2-CD1 3.96Å; F19-I283 HydrophobicContact CZ-CB 4.39Å; F19-I283 HydrophobicContact CZ-CD1 4Å; F19-I283 HydrophobicContact CZ-CG2 4.45Å; F279-I283 HydrophobicContact CD1-CD1 4.15Å; F279-I283 HydrophobicContact CE1-CD1 3.46Å; F279-I283 VanDerWaalsContact CE1-CD1 3.46Å; F279-I283 HydrophobicContact CE1-CG1 4.34Å; F279-I283 HydrophobicContact CE2-CD1 4.44Å; F279-I283 HydrophobicContact CZ-CD1 3.64Å; F279-I283 HydrophobicContact CZ-CG1 4.33Å; F279-I283 PolarHBondContact O-N 2.94Å; F279-I283 VanDerWaalsContact O-N 3.09Å; G280-I283 PolarHBondContact O-N 3.45Å; I283-L286 PolarHBondContact O-N 3.2Å; I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 2.84Å
284G96Very high92.8Very high0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-65-42-17800000112.8C23 S26 G280 T288C23-G284 WeakPolarHBondContact SG-CA 3.22Å; S26-G284 VanDerWaalsContact OG-C 3.25Å; S26-G284 VanDerWaalsContact OG-CA 3.25Å; S26-G284 WeakPolarHBondContact OG-CA 2.91Å; G280-G284 PolarHBondContact O-N 3.48Å; G284-T288 WeakPolarHBondContact O-CB 3.2Å; G284-T288 PolarHBondContact O-N 2.66Å; G284-T288 PolarHBondContact O-OG1 2.77Å
285S95Very high93Very high0 Ų043.2 Ų43.20%021%0.207CC..Hα-helixtrans-66.7-44.5176.152.90000112.8S26 F281 M282 G289 G411 T414S26-S285 PolarHBondContact OG-N 3.32Å; F281-S285 WeakPolarHBondContact O-CB 3.39Å; F281-S285 PolarHBondContact O-N 2.71Å; F281-S285 VanDerWaalsContact O-N 3.07Å; F281-S285 PolarHBondContact O-OG 3.28Å; M282-S285 PolarHBondContact O-OG 3.48Å; S285-G289 PolarHBondContact O-N 2.68Å; S285-G411 WeakPolarHBondContact O-CA 3.46Å; S285-T414 VanDerWaalsContact CB-OG1 3.22Å; S285-T414 WeakPolarHBondContact CB-OG1 3.43Å; S285-T414 PolarHBondContact OG-OG1 2.88Å
286L95.3Very high93Very high58 Ų5843.2 Ų43.230%0.30421%0.205SC..Hα-helixtrans-62.6-53.2177.6-16766.7000111.2M282 I283 T288 G289 F290M282-L286 WeakPolarHBondContact O-CB 3.22Å; M282-L286 PolarHBondContact O-N 3.07Å; M282-L286 VanDerWaalsContact O-N 3.12Å; I283-L286 PolarHBondContact O-N 3.2Å; L286-T288 VanDerWaalsContact C-N 3.28Å; L286-T288 PolarHBondContact O-N 2.82Å; L286-G289 PolarHBondContact O-N 3.4Å; L286-F290 HydrophobicContact CD1-CD2 4.05Å; L286-F290 HydrophobicContact CD1-CE2 3.7Å; L286-F290 HydrophobicContact CG-CD2 4.13Å; L286-F290 HydrophobicContact CG-CE2 4.15Å; L286-F290 WeakPolarHBondContact O-CD2 3.05Å; L286-F290 PolarHBondContact O-N 3.48Å; L286-F290 VanDerWaalsContact O-N 3.08Å
287L96Very high92.4Very high93 Ų9342.1 Ų42.149%0.48720%0.202SC..Hα-helixtrans-57.2-44.4179.9-178.765.6000110.9I283 A291 I334I283-L287 WeakPolarHBondContact O-CB 3.32Å; I283-L287 PolarHBondContact O-N 2.84Å; L287-A291 WeakPolarHBondContact O-CB 3.42Å; L287-A291 PolarHBondContact O-N 3.44Å; L287-I334 HydrophobicContact CD2-CD1 4.19Å; L287-I334 HydrophobicContact CD2-CG1 4.3Å; L287-I334 HydrophobicContact CD2-CG2 4.1Å; L287-I334 HydrophobicContact CG-CD1 3.96Å
288T95.9Very high91.7Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-66.3-44.5-179.9-58.80000111.9S27 Y31 G284 L286 F290 A291 V292 P331S27-T288 WeakPolarHBondContact CA-OG1 3.48Å; S27-T288 WeakPolarHBondContact CB-OG1 3.36Å; Y31-T288 HydrophobicContact CD2-CG2 3.97Å; Y31-T288 HydrophobicContact CE2-CG2 3.62Å; G284-T288 WeakPolarHBondContact O-CB 3.2Å; G284-T288 PolarHBondContact O-N 2.66Å; G284-T288 PolarHBondContact O-OG1 2.77Å; L286-T288 VanDerWaalsContact C-N 3.28Å; L286-T288 PolarHBondContact O-N 2.82Å; T288-F290 PolarHBondContact O-N 2.99Å; T288-A291 PolarHBondContact O-N 2.87Å; T288-V292 HydrophobicContact CG2-CG2 4.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.48Å; T288-V292 PolarHBondContact O-N 3.48Å; T288-P331 HydrophobicContact CG2-CB 3.85Å; T288-P331 HydrophobicContact CG2-CG 3.61Å
289G94.4Very high90.7Very high0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-57.9-47.9178.100000112.2S285 L286 Y293 H407 Y408S285-G289 PolarHBondContact O-N 2.68Å; L286-G289 PolarHBondContact O-N 3.4Å; G289-Y293 PolarHBondContact O-N 3.21Å; G289-H407 WeakPolarHBondContact CA-O 3.41Å; G289-H407 CarbonylContact O-C 3.34Å; G289-H407 WeakPolarHBondContact O-CB 3.41Å; G289-Y408 PolarHBondContact O-N 2.87Å
290F94.8Very high89.5Confident103 Ų10347.5 Ų47.545%0.45223%0.23SC..Hα-helixtrans-66.1-42.8175.8-84.2-80.9000112.6L286 T288 V292 Y293 Q294L286-F290 HydrophobicContact CD1-CD2 4.05Å; L286-F290 HydrophobicContact CD1-CE2 3.7Å; L286-F290 HydrophobicContact CG-CD2 4.13Å; L286-F290 HydrophobicContact CG-CE2 4.15Å; L286-F290 WeakPolarHBondContact O-CD2 3.05Å; L286-F290 PolarHBondContact O-N 3.48Å; L286-F290 VanDerWaalsContact O-N 3.08Å; T288-F290 PolarHBondContact O-N 2.99Å; F290-V292 PolarHBondContact O-N 2.87Å; F290-Y293 PolarHBondContact O-N 3.28Å; F290-Q294 WeakPolarHBondContact O-CB 3.41Å; F290-Q294 PolarHBondContact O-N 3.42Å
291A94.7Very high88Confident26 Ų2652.2 Ų52.222%0.21525%0.251CS..Hα-helixtrans-63.3-42.7-179.600000112.2L287 T288 Y295 P330 I334L287-A291 WeakPolarHBondContact O-CB 3.42Å; L287-A291 PolarHBondContact O-N 3.44Å; T288-A291 PolarHBondContact O-N 2.87Å; A291-Y295 WeakPolarHBondContact O-CB 3.42Å; A291-Y295 PolarHBondContact O-N 3.06Å; A291-P330 HydrophobicContact CB-CB 3.76Å; A291-I334 HydrophobicContact CB-CD1 3.9Å
292V92.3Very high86.3Confident0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-62.7-46.4175.1175.80000110.6T288 F290 T296 P326 Y328 P331 H407T288-V292 HydrophobicContact CG2-CG2 4.28Å; T288-V292 WeakPolarHBondContact O-CG2 3.48Å; T288-V292 PolarHBondContact O-N 3.48Å; F290-V292 PolarHBondContact O-N 2.87Å; V292-T296 WeakPolarHBondContact O-CB 3.25Å; V292-T296 PolarHBondContact O-N 2.74Å; V292-T296 PolarHBondContact O-OG1 3.1Å; V292-P326 HydrophobicContact CG1-CB 4.45Å; V292-Y328 HydrophobicContact CG1-CD1 4.33Å; V292-Y328 HydrophobicContact CG1-CE1 4.38Å; V292-Y328 HydrophobicContact CG2-CD1 4.34Å; V292-P331 HydrophobicContact CG2-CG 3.43Å; V292-P331 VanDerWaalsContact CG2-CG 3.43Å; V292-H407 HydrophobicContact CB-CB 3.9Å; V292-H407 HydrophobicContact CG1-CB 3.85Å; V292-H407 VanDerWaalsContact CG1-CD2 3.47Å; V292-H407 WeakPolarHBondContact CG1-CD2 3.43Å; V292-H407 VanDerWaalsContact CG1-CG 3.43Å
293Y90.1Very high84.6Confident116 Ų11657.4 Ų57.446%0.45528%0.281SS..Hα-helixtrans-59.6-51.6180176.4-104.3000111.6G289 F290 T296 S297 Y408G289-Y293 PolarHBondContact O-N 3.21Å; F290-Y293 PolarHBondContact O-N 3.28Å; Y293-T296 PolarHBondContact O-N 3.07Å; Y293-S297 WeakPolarHBondContact O-CB 3.31Å; Y293-S297 PolarHBondContact O-N 2.95Å; Y293-S297 PolarHBondContact O-OG 3.32Å; Y293-Y408 AromaticContact CD1-CD1 3.99Å; Y293-Y408 HydrophobicContact CD1-CD1 3.99Å; Y293-Y408 AromaticContact CD2-CD1 3.7Å; Y293-Y408 HydrophobicContact CD2-CD1 3.7Å; Y293-Y408 HydrophobicContact CD2-CE1 4.21Å; Y293-Y408 HydrophobicContact CE1-CD1 4.21Å; Y293-Y408 AromaticContact CE2-CD1 3.93Å; Y293-Y408 HydrophobicContact CE2-CD1 3.93Å; Y293-Y408 AromaticContact CE2-CE1 3.99Å; Y293-Y408 HydrophobicContact CE2-CE1 3.99Å; Y293-Y408 AromaticContact CG-CD1 3.72Å; Y293-Y408 HydrophobicContact CG-CD1 3.72Å
294Q89.1Confident82.9Confident122 Ų12256.4 Ų56.457%0.5728%0.276SS*.Hα-helixtrans-65.6-47.1-178.6-173.2173.91.900111.5F290 T296 S297 I298F290-Q294 WeakPolarHBondContact O-CB 3.41Å; F290-Q294 PolarHBondContact O-N 3.42Å; Q294-T296 VanDerWaalsContact C-N 3.32Å; Q294-T296 PolarHBondContact O-N 3.46Å; Q294-S297 WeakPolarHBondContact CA-OG 3.47Å; Q294-S297 PolarHBondContact O-N 3.06Å; Q294-S297 PolarHBondContact O-OG 3.43Å; Q294-I298 HydrophobicContact CG-CD1 3.8Å; Q294-I298 HydrophobicContact CG-CG1 4.43Å; Q294-I298 VanDerWaalsContact O-CG1 3.3Å; Q294-I298 WeakPolarHBondContact O-CG1 3.39Å; Q294-I298 PolarHBondContact O-N 2.89Å
295Y87.7Confident81Confident87 Ų8761.9 Ų61.934%0.34131%0.306SS..Hα-helixtrans-64.6-37.2-179.6-169.9-113.3000112.5A291 N299 N327 I329 P330A291-Y295 WeakPolarHBondContact O-CB 3.42Å; A291-Y295 PolarHBondContact O-N 3.06Å; Y295-N299 WeakPolarHBondContact CD1-ND2 3.4Å; Y295-N299 VanDerWaalsContact CE1-ND2 3.34Å; Y295-N299 WeakPolarHBondContact CE1-ND2 3.41Å; Y295-N299 PolarHBondContact O-N 2.88Å; Y295-N299 VanDerWaalsContact O-N 3.16Å; Y295-N299 PolarHBondContact O-ND2 3.35Å; Y295-N327 HydrophobicContact CD1-CB 3.91Å; Y295-N327 HydrophobicContact CE1-CB 4.12Å; Y295-N327 WeakPolarHBondContact CE1-ND2 3.46Å; Y295-I329 HydrophobicContact CE1-CB 4.15Å; Y295-I329 HydrophobicContact CE1-CD1 4.39Å; Y295-P330 HydrophobicContact CD1-CG 3.64Å; Y295-P330 HydrophobicContact CE1-CG 4.43Å; Y295-P330 HydrophobicContact CG-CG 3.77Å
296T84.4Confident79.1Confident15 Ų1568.8 Ų68.89%0.09234%0.338CS..Hα-helixtrans-66.1-44.1174.4-60.40000110.9V292 Y293 Q294 N299 Y300 V324 N327V292-T296 WeakPolarHBondContact O-CB 3.25Å; V292-T296 PolarHBondContact O-N 2.74Å; V292-T296 PolarHBondContact O-OG1 3.1Å; Y293-T296 PolarHBondContact O-N 3.07Å; Q294-T296 VanDerWaalsContact C-N 3.32Å; Q294-T296 PolarHBondContact O-N 3.46Å; T296-N299 PolarHBondContact O-N 3.38Å; T296-Y300 PolarHBondContact O-N 3Å; T296-Y300 VanDerWaalsContact O-N 3.12Å; T296-V324 HydrophobicContact CG2-CB 4.14Å; T296-V324 HydrophobicContact CG2-CG1 3.31Å; T296-N327 PolarHBondContact OG1-N 3.07Å
297S78.2Confident77Confident35 Ų3567.7 Ų67.725%0.24533%0.333CS..Hα-helixtrans-63.9-40.9177.472.10000113.1Y293 Q294 Y300 H301Y293-S297 WeakPolarHBondContact O-CB 3.31Å; Y293-S297 PolarHBondContact O-N 2.95Å; Y293-S297 PolarHBondContact O-OG 3.32Å; Q294-S297 WeakPolarHBondContact CA-OG 3.47Å; Q294-S297 PolarHBondContact O-N 3.06Å; Q294-S297 PolarHBondContact O-OG 3.43Å; S297-Y300 PolarHBondContact O-N 3Å; S297-H301 WeakPolarHBondContact O-CB 3.5Å; S297-H301 PolarHBondContact O-CD2 3.31Å; S297-H301 PolarHBondContact O-N 2.91Å
298I77.2Confident74.8Confident88 Ų8871 Ų7145%0.45135%0.352SS..Hα-helixtrans-65.1-46.5179.3-69.9167.4000110.6Q294 Y300 H301 H302Q294-I298 HydrophobicContact CG-CD1 3.8Å; Q294-I298 HydrophobicContact CG-CG1 4.43Å; Q294-I298 VanDerWaalsContact O-CG1 3.3Å; Q294-I298 WeakPolarHBondContact O-CG1 3.39Å; Q294-I298 PolarHBondContact O-N 2.89Å; I298-Y300 VanDerWaalsContact C-N 3.27Å; I298-Y300 PolarHBondContact O-N 3.06Å; I298-H301 PolarHBondContact O-N 3.41Å; I298-H302 WeakPolarHBondContact O-CB 3.37Å; I298-H302 PolarHBondContact O-N 3.32Å
299N70.1Confident73Confident60 Ų6071.9 Ų71.932%0.32136%0.356SS..Hα-helixtrans-61.3-38.7178.4-72.9-42.2000111.5Y295 T296 H302 T303 N327Y295-N299 WeakPolarHBondContact CD1-ND2 3.4Å; Y295-N299 VanDerWaalsContact CE1-ND2 3.34Å; Y295-N299 WeakPolarHBondContact CE1-ND2 3.41Å; Y295-N299 PolarHBondContact O-N 2.88Å; Y295-N299 VanDerWaalsContact O-N 3.16Å; Y295-N299 PolarHBondContact O-ND2 3.35Å; T296-N299 PolarHBondContact O-N 3.38Å; N299-H302 PolarHBondContact O-N 2.81Å; N299-T303 PolarHBondContact O-N 2.95Å; N299-T303 PolarHBondContact O-OG1 3.4Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å; N299-N327 PolarHBondContact ND2-ND2 3.18Å
300Y67.7Low71.4Confident57 Ų5777.2 Ų77.222%0.22439%0.385CS..Hα-helixtrans-66.6-45.8174.9-179-110.4000112.7T296 S297 I298 H302 T303 I304 L312 V324T296-Y300 PolarHBondContact O-N 3Å; T296-Y300 VanDerWaalsContact O-N 3.12Å; S297-Y300 PolarHBondContact O-N 3Å; I298-Y300 VanDerWaalsContact C-N 3.27Å; I298-Y300 PolarHBondContact O-N 3.06Å; Y300-H302 VanDerWaalsContact C-N 3.26Å; Y300-H302 PolarHBondContact O-N 3.21Å; Y300-T303 WeakPolarHBondContact O-CB 3.44Å; Y300-T303 PolarHBondContact O-N 3.07Å; Y300-I304 HydrophobicContact CD1-CD1 3.79Å; Y300-I304 HydrophobicContact CE1-CD1 3.25Å; Y300-I304 HydrophobicContact CE1-CG1 4.31Å; Y300-I304 HydrophobicContact CE2-CD1 4.32Å; Y300-I304 PolarHBondContact O-N 3.27Å; Y300-L312 WeakPolarHBondContact OH-CD1 3.43Å; Y300-V324 HydrophobicContact CD1-CG2 4.25Å; Y300-V324 HydrophobicContact CD2-CB 4.48Å; Y300-V324 HydrophobicContact CD2-CG1 4.37Å; Y300-V324 HydrophobicContact CD2-CG2 3.37Å; Y300-V324 HydrophobicContact CE2-CG2 3.76Å; Y300-V324 HydrophobicContact CG-CG1 4.39Å; Y300-V324 HydrophobicContact CG-CG2 3.63Å
301H63.5Low70Confident99 Ų9972.4 Ų72.446%0.45836%0.364SS..Hα-helixtrans-64.7-30176.3-78.1-58.3000112.9S297 I298 I304 N305S297-H301 WeakPolarHBondContact O-CB 3.5Å; S297-H301 PolarHBondContact O-CD2 3.31Å; S297-H301 PolarHBondContact O-N 2.91Å; I298-H301 PolarHBondContact O-N 3.41Å; H301-I304 PolarHBondContact O-N 3.37Å; H301-N305 VanDerWaalsContact O-CB 3.29Å; H301-N305 WeakPolarHBondContact O-CB 3.42Å; H301-N305 VanDerWaalsContact O-CG 3.29Å; H301-N305 PolarHBondContact O-N 2.98Å
302H58.4Low68.8Low103 Ų10372 Ų7248%0.47736%0.358SS..Hα-helixtrans-64-46.4172-164.1-80.5000111I298 N299 Y300 I304 N305 E306I298-H302 WeakPolarHBondContact O-CB 3.37Å; I298-H302 PolarHBondContact O-N 3.32Å; N299-H302 PolarHBondContact O-N 2.81Å; Y300-H302 VanDerWaalsContact C-N 3.26Å; Y300-H302 PolarHBondContact O-N 3.21Å; H302-I304 PolarHBondContact O-N 3.07Å; H302-N305 PolarHBondContact O-N 2.78Å; H302-E306 IonicContact CE1-OE1 3.99Å; H302-E306 PolarHBondContact CE1-OE1 2.91Å; H302-E306 IonicContact CE1-OE2 2.66Å; H302-E306 VanDerWaalsContact ND1-CD 3.28Å; H302-E306 IonicContact ND1-OE1 2.94Å; H302-E306 IonicContact ND1-OE2 2.93Å; H302-E306 PolarHBondContact ND1-OE2 2.91Å; H302-E306 PolarHBondContact O-N 3.48Å
303T60.4Low67.8Low81 Ų8172.5 Ų72.550%0.49736%0.36SS..Hα-helixtrans-59.5-36.8175.2-48.50000112N299 Y300N299-T303 PolarHBondContact O-N 2.95Å; N299-T303 PolarHBondContact O-OG1 3.4Å; N299-T303 VanDerWaalsContact O-OG1 3.04Å; Y300-T303 WeakPolarHBondContact O-CB 3.44Å; Y300-T303 PolarHBondContact O-N 3.07Å
304I60.9Low66.9Low42 Ų4268.2 Ų68.222%0.21534%0.343CS..Hα-helixtrans-71.1-56174-65.4171.3000110.6Y300 H301 H302 E306 T307 L312Y300-I304 HydrophobicContact CD1-CD1 3.79Å; Y300-I304 HydrophobicContact CE1-CD1 3.25Å; Y300-I304 HydrophobicContact CE1-CG1 4.31Å; Y300-I304 HydrophobicContact CE2-CD1 4.32Å; Y300-I304 PolarHBondContact O-N 3.27Å; H301-I304 PolarHBondContact O-N 3.37Å; H302-I304 PolarHBondContact O-N 3.07Å; I304-E306 PolarHBondContact O-N 2.91Å; I304-T307 CarbonylContact O-C 3.54Å; I304-T307 VanDerWaalsContact O-C 3.27Å; I304-T307 WeakPolarHBondContact O-CA 3.34Å; I304-T307 PolarHBondContact O-N 3.28Å; I304-T307 PolarHBondContact O-OG1 3.3Å; I304-L312 HydrophobicContact CD1-CD1 4.38Å; I304-L312 HydrophobicContact CG1-CD1 4.2Å
305N54.5Low66.1Low115 Ų11562.6 Ų62.662%0.61532%0.317SS*.Hα-helixtrans-68.5-28.1-170.1-73.3-11.1000114.4H301 H302 T307H301-N305 VanDerWaalsContact O-CB 3.29Å; H301-N305 WeakPolarHBondContact O-CB 3.42Å; H301-N305 VanDerWaalsContact O-CG 3.29Å; H301-N305 PolarHBondContact O-N 2.98Å; H302-N305 PolarHBondContact O-N 2.78Å; N305-T307 PolarHBondContact O-N 3.1Å
306E54.9Low65Low145 Ų14559.1 Ų59.168%0.67831%0.306SS*.THydrogen-bonded Turntrans-59.8-25.6170.1-80-176.7137.700111.6H302 I304H302-E306 IonicContact CE1-OE1 3.99Å; H302-E306 PolarHBondContact CE1-OE1 2.91Å; H302-E306 IonicContact CE1-OE2 2.66Å; H302-E306 VanDerWaalsContact ND1-CD 3.28Å; H302-E306 IonicContact ND1-OE1 2.94Å; H302-E306 IonicContact ND1-OE2 2.93Å; H302-E306 PolarHBondContact ND1-OE2 2.91Å; H302-E306 PolarHBondContact O-N 3.48Å; I304-E306 PolarHBondContact O-N 2.91Å
307T51.4Low63.5Low34 Ų3464.6 Ų64.621%0.20933%0.334CS..SBendtrans-103.6111.617162.60000109P219 I304 N305 L309P219-T307 HydrophobicContact CG-CG2 4.08Å; I304-T307 CarbonylContact O-C 3.54Å; I304-T307 VanDerWaalsContact O-C 3.27Å; I304-T307 WeakPolarHBondContact O-CA 3.34Å; I304-T307 PolarHBondContact O-N 3.28Å; I304-T307 PolarHBondContact O-OG1 3.3Å; N305-T307 PolarHBondContact O-N 3.1Å; T307-L309 PolarHBondContact O-N 3.11Å
308N50.8Low62.3Low164 Ų16465.7 Ų65.788%0.87734%0.342SS*.  trans-64.724.5172.6-77.6-39.4000113.7
309L57.4Low60.6Low18 Ų1866 Ų669%0.09434%0.344CS..  trans-104.6124.1-174.9-8490000111.8I140 C217 A218 T307 L311I140-L309 HydrophobicContact CB-CD2 3.94Å; I140-L309 HydrophobicContact CD1-CD2 3.88Å; I140-L309 HydrophobicContact CD1-CG 3.73Å; I140-L309 HydrophobicContact CG1-CD2 4.5Å; I140-L309 HydrophobicContact CG2-CD2 3.18Å; I140-L309 HydrophobicContact CG2-CG 4.06Å; C217-L309 VanDerWaalsContact C-CD2 3.48Å; C217-L309 WeakPolarHBondContact O-CD2 3.49Å; A218-L309 HydrophobicContact CB-CD2 3.38Å; T307-L309 PolarHBondContact O-N 3.11Å; L309-L311 PolarHBondContact O-N 3.34Å
310N61.3Low59.3Low111 Ų11169.9 Ų69.959%0.59437%0.365SS*.SBendtrans-79.19178.7-67.9-33.8000114.5
311L65.2Low58.2Low3 Ų369.7 Ų69.72%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-130.7117.9-168.6-161.869.5000110.6P119 L121 L133 A218 L309 Y313P119-L311 HydrophobicContact CB-CD1 4.13Å; L121-L311 HydrophobicContact CD2-CD1 3.55Å; L121-L311 HydrophobicContact CG-CD1 4.23Å; L133-L311 HydrophobicContact CD2-CD1 3.98Å; L133-L311 HydrophobicContact CD2-CD2 3.9Å; A218-L311 WeakPolarHBondContact CB-O 3.15Å; L309-L311 PolarHBondContact O-N 3.34Å; L311-Y313 HydrophobicContact CD2-CE1 4.08Å; L311-Y313 HydrophobicContact CD2-CE2 4.24Å; L311-Y313 WeakPolarHBondContact CD2-OH 3.31Å; L311-Y313 HydrophobicContact CG-CE1 4.35Å; L311-Y313 HydrophobicContact CG-CE2 4.47Å
312L70.5Confident57.4Low16 Ų1670.6 Ų70.68%0.08438%0.376CS..EExtended strand (participates in β ladder)trans-110153.1172.7-68.8173.7000109.6P119 L120 P219 V221 Y300 I304P119-L312 CarbonylContact C-O 3.59Å; P119-L312 WeakPolarHBondContact CA-O 3.37Å; L120-L312 HydrophobicContact CB-CB 4.5Å; L120-L312 PolarHBondContact N-O 2.77Å; P219-L312 HydrophobicContact CG-CD2 3.66Å; V221-L312 HydrophobicContact CG2-CB 4.42Å; V221-L312 HydrophobicContact CG2-CD1 4.45Å; V221-L312 HydrophobicContact CG2-CD2 4.3Å; Y300-L312 WeakPolarHBondContact OH-CD1 3.43Å; I304-L312 HydrophobicContact CD1-CD1 4.38Å; I304-L312 HydrophobicContact CG1-CD1 4.2Å
313Y70.7Confident56.9Low12 Ų1266.9 Ų66.95%0.04736%0.361CS..EExtended strand (participates in β ladder)trans-123.3140178.8-63-75.6000112.2L117 T118 P119 I140 P142 L174 A218 L220 V221 L311L117-Y313 HydrophobicContact CB-CD1 4.39Å; L117-Y313 HydrophobicContact CD1-CG 4.33Å; T118-Y313 CarbonylContact O-C 3.44Å; T118-Y313 WeakPolarHBondContact O-CA 3.44Å; P119-Y313 HydrophobicContact CB-CD1 3.99Å; P119-Y313 HydrophobicContact CB-CE1 3.9Å; I140-Y313 PolarHBondContact O-OH 3Å; P142-Y313 HydrophobicContact CB-CD2 3.69Å; P142-Y313 HydrophobicContact CB-CE2 3.7Å; P142-Y313 HydrophobicContact CB-CG 4.36Å; P142-Y313 HydrophobicContact CG-CD2 3.98Å; P142-Y313 HydrophobicContact CG-CE1 4.39Å; P142-Y313 HydrophobicContact CG-CE2 3.64Å; P142-Y313 HydrophobicContact CG-CG 4.45Å; L174-Y313 HydrophobicContact CD2-CD1 3.75Å; L174-Y313 HydrophobicContact CD2-CE1 3.28Å; A218-Y313 HydrophobicContact CB-CD2 3.9Å; A218-Y313 HydrophobicContact CB-CE2 3.52Å; L220-Y313 HydrophobicContact CD2-CD2 4.26Å; L220-Y313 HydrophobicContact CD2-CG 4.34Å; V221-Y313 PolarHBondContact N-O 3.27Å; L311-Y313 HydrophobicContact CD2-CE1 4.08Å; L311-Y313 HydrophobicContact CD2-CE2 4.24Å; L311-Y313 WeakPolarHBondContact CD2-OH 3.31Å; L311-Y313 HydrophobicContact CG-CE1 4.35Å; L311-Y313 HydrophobicContact CG-CE2 4.47Å
314Y71.6Confident56.7Low25 Ų2565.2 Ų65.210%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-111.6142.1176.9-71.5-96.5000110.5L117 T118 L120 V221 S316 S323L117-Y314 CarbonylContact C-O 3.5Å; L117-Y314 VanDerWaalsContact CA-O 3.28Å; L117-Y314 WeakPolarHBondContact CA-O 3.31Å; T118-Y314 PolarHBondContact N-O 2.85Å; T118-Y314 PolarHBondContact O-N 3.46Å; L120-Y314 HydrophobicContact CB-CD2 3.94Å; L120-Y314 HydrophobicContact CB-CE2 3.49Å; L120-Y314 VanDerWaalsContact CB-CE2 3.49Å; L120-Y314 HydrophobicContact CD1-CE2 4.22Å; L120-Y314 HydrophobicContact CD2-CE2 3.76Å; L120-Y314 HydrophobicContact CG-CE2 4.01Å; V221-Y314 HydrophobicContact CB-CD1 4.23Å; V221-Y314 HydrophobicContact CB-CE1 4.03Å; V221-Y314 HydrophobicContact CG1-CD1 4.23Å; V221-Y314 HydrophobicContact CG1-CE1 3.75Å; Y314-S316 VanDerWaalsContact C-N 3.35Å; Y314-S323 PolarHBondContact OH-OG 3.46Å
315S70.8Confident57Low4 Ų466 Ų663%0.02836%0.355CS..SBendtrans-83.9-8.6174.5600000114.1V102 N104V102-S315 VanDerWaalsContact O-CB 3.27Å; V102-S315 WeakPolarHBondContact O-CB 3.37Å; V102-S315 PolarHBondContact O-OG 2.88Å; N104-S315 WeakPolarHBondContact CB-O 3.39Å; N104-S315 PolarHBondContact N-O 2.92Å; N104-S315 PolarHBondContact ND2-O 3.47Å
316S64.7Low58.1Low14 Ų1461.8 Ų61.810%0.09833%0.334CS..SBendtrans-122143.4-177.168.80000112.5N104 Y314 S318N104-S316 WeakPolarHBondContact ND2-CA 3.44Å; Y314-S316 VanDerWaalsContact C-N 3.35Å; S316-S318 PolarHBondContact O-N 3.27Å; S316-S318 PolarHBondContact OG-OG 3.46Å
317N54.7Low59.5Low130 Ų13056.3 Ų56.370%0.69531%0.309SS*.SBendtrans-69.9-8.6-179.9-69.31.2000113.1L319N317-L319 PolarHBondContact O-N 3.41Å
318S51.4Low61.3Low58 Ų5854.8 Ų54.841%0.40630%0.3SS..  trans-80.490.817852.90000110.3S316 N320 I321S316-S318 PolarHBondContact O-N 3.27Å; S316-S318 PolarHBondContact OG-OG 3.46Å; S318-N320 PolarHBondContact O-N 3.01Å; S318-I321 PolarHBondContact O-N 2.93Å; S318-I321 WeakPolarHBondContact OG-CD1 3.25Å; S318-I321 WeakPolarHBondContact OG-CG1 3.44Å
319L42.8Very low63.3Low96 Ų9649.2 Ų49.250%0.50327%0.27SS..THydrogen-bonded Turntrans-55.9-11.5169.1-70.1162.1000113.8N317N317-L319 PolarHBondContact O-N 3.41Å
320N41.6Very low65Low140 Ų14049 Ų4975%0.74927%0.27SS*.THydrogen-bonded Turntrans-84.1-0.7178.7-82.3-8.3000114.7S318 N322S318-N320 PolarHBondContact O-N 3.01Å; N320-N322 PolarHBondContact O-N 3.1Å; N320-N322 VanDerWaalsContact O-N 3.15Å
321I46Very low66.6Low54 Ų5443.8 Ų43.828%0.27724%0.241SC..  trans-81.398.5173.3-56.4176.8000107.5S318 S323S318-I321 PolarHBondContact O-N 2.93Å; S318-I321 WeakPolarHBondContact OG-CD1 3.25Å; S318-I321 WeakPolarHBondContact OG-CG1 3.44Å; I321-S323 PolarHBondContact O-N 3.09Å
322N46.7Very low67.9Low118 Ų11843.6 Ų43.663%0.63124%0.241SC*.  trans-59.692.4152-76.1-19.6000106.5N320 V324N320-N322 PolarHBondContact O-N 3.1Å; N320-N322 VanDerWaalsContact O-N 3.15Å; N322-V324 PolarHBondContact O-N 3.34Å
323S47.6Very low69.1Low24 Ų2446.6 Ų46.617%0.16826%0.256CS..  trans-63.6-6.3-178.348.60000114V221 Y314 I321 N325V221-S323 WeakPolarHBondContact CG1-OG 3.47Å; Y314-S323 PolarHBondContact OH-OG 3.46Å; I321-S323 PolarHBondContact O-N 3.09Å; S323-N325 VanDerWaalsContact C-N 3.3Å; S323-N325 PolarHBondContact O-N 3.37Å
324V55Low70.3Confident46 Ų4647 Ų4728%0.27926%0.258SS..  trans-77.190.7175.4-1560000107.8T296 Y300 N322 P326T296-V324 HydrophobicContact CG2-CB 4.14Å; T296-V324 HydrophobicContact CG2-CG1 3.31Å; Y300-V324 HydrophobicContact CD1-CG2 4.25Å; Y300-V324 HydrophobicContact CD2-CB 4.48Å; Y300-V324 HydrophobicContact CD2-CG1 4.37Å; Y300-V324 HydrophobicContact CD2-CG2 3.37Å; Y300-V324 HydrophobicContact CE2-CG2 3.76Å; Y300-V324 HydrophobicContact CG-CG1 4.39Å; Y300-V324 HydrophobicContact CG-CG2 3.63Å; N322-V324 PolarHBondContact O-N 3.34Å; V324-P326 VanDerWaalsContact O-CD 3.31Å; V324-P326 WeakPolarHBondContact O-CD 3.48Å; V324-P326 VanDerWaalsContact O-N 3.08Å
325N68.5Low71.4Confident58 Ų5845.8 Ų45.831%0.3125%0.254SS..  trans-51.9117.6165-79.5-31.5000107.6S323 N327S323-N325 VanDerWaalsContact C-N 3.3Å; S323-N325 PolarHBondContact O-N 3.37Å; N325-N327 PolarHBondContact O-N 2.97Å
326P77.2Confident72.5Confident28 Ų2846.8 Ų46.818%0.18226%0.259CS..  trans-62.5132-175.422.2-31.6000110.4V292 V324 Y328 H407V292-P326 HydrophobicContact CG1-CB 4.45Å; V324-P326 VanDerWaalsContact O-CD 3.31Å; V324-P326 WeakPolarHBondContact O-CD 3.48Å; V324-P326 VanDerWaalsContact O-N 3.08Å; P326-Y328 HydrophobicContact CB-CE1 4.4Å; P326-Y328 HydrophobicContact CB-CE2 4.02Å; P326-Y328 HydrophobicContact CG-CD2 4.5Å; P326-Y328 HydrophobicContact CG-CE2 3.58Å; P326-Y328 WeakPolarHBondContact CG-OH 3.23Å; P326-Y328 WeakPolarHBondContact O-CD2 3.39Å; P326-Y328 PolarHBondContact O-N 3.44Å; P326-H407 WeakPolarHBondContact CB-CE1 3.18Å
327N84.2Confident74Confident29 Ų2951.4 Ų51.416%0.15528%0.282CS..  trans-89.5102.3-178-164.9-13.3000110.2R97 Y295 T296 N299 N325 I329 P330R97-N327 PolarHBondContact NH1-OD1 3.07Å; Y295-N327 HydrophobicContact CD1-CB 3.91Å; Y295-N327 HydrophobicContact CE1-CB 4.12Å; Y295-N327 WeakPolarHBondContact CE1-ND2 3.46Å; T296-N327 PolarHBondContact OG1-N 3.07Å; N299-N327 PolarHBondContact ND2-ND2 3.18Å; N325-N327 PolarHBondContact O-N 2.97Å; N327-I329 VanDerWaalsContact C-N 3.27Å; N327-I329 PolarHBondContact O-N 2.88Å; N327-I329 WeakPolarHBondContact OD1-CD1 3.36Å; N327-I329 VanDerWaalsContact OD1-CG1 3.26Å; N327-I329 WeakPolarHBondContact OD1-CG1 3.48Å; N327-I329 PolarHBondContact OD1-N 2.62Å; N327-P330 WeakPolarHBondContact O-CD 3.41Å
328Y89.9Confident75.9Confident3 Ų345.9 Ų45.91%0.01225%0.253CS..  trans-85.923.3-178.2-61.1-73.9000115.2Y31 P34 I35 T38 V292 P326 P331 H407Y31-Y328 HydrophobicContact CD1-CD1 4.3Å; Y31-Y328 AromaticContact CD1-CE1 3.96Å; Y31-Y328 HydrophobicContact CD1-CE1 3.96Å; P34-Y328 HydrophobicContact CB-CE1 4.11Å; P34-Y328 HydrophobicContact CB-CE2 4.23Å; I35-Y328 HydrophobicContact CG1-CD1 4.26Å; I35-Y328 HydrophobicContact CG1-CD2 4.25Å; I35-Y328 HydrophobicContact CG1-CG 3.78Å; T38-Y328 HydrophobicContact CG2-CD2 3.5Å; T38-Y328 HydrophobicContact CG2-CE2 3.43Å; T38-Y328 VanDerWaalsContact CG2-CE2 3.43Å; V292-Y328 HydrophobicContact CG1-CD1 4.33Å; V292-Y328 HydrophobicContact CG1-CE1 4.38Å; V292-Y328 HydrophobicContact CG2-CD1 4.34Å; P326-Y328 HydrophobicContact CB-CE1 4.4Å; P326-Y328 HydrophobicContact CB-CE2 4.02Å; P326-Y328 HydrophobicContact CG-CD2 4.5Å; P326-Y328 HydrophobicContact CG-CE2 3.58Å; P326-Y328 WeakPolarHBondContact CG-OH 3.23Å; P326-Y328 WeakPolarHBondContact O-CD2 3.39Å; P326-Y328 PolarHBondContact O-N 3.44Å; Y328-P331 HydrophobicContact CD1-CG 4.13Å; Y328-P331 WeakPolarHBondContact O-CD 3.18Å; Y328-H407 AromaticContact CE1-CD2 3.66Å; Y328-H407 AromaticContact CE1-NE2 3.41Å; Y328-H407 WeakPolarHBondContact CE1-NE2 3.43Å; Y328-H407 AromaticContact CZ-NE2 3.5Å; Y328-H407 PolarHBondContact OH-NE2 2.76Å
329I91.7Very high78Confident46 Ų4643.1 Ų43.124%0.23623%0.234CC..Hα-helixtrans-62.5-44.8169.5-69.8169000112.5L93 Y295 N327 I332 I333L93-I329 HydrophobicContact CD2-CG1 4.41Å; Y295-I329 HydrophobicContact CE1-CB 4.15Å; Y295-I329 HydrophobicContact CE1-CD1 4.39Å; N327-I329 VanDerWaalsContact C-N 3.27Å; N327-I329 PolarHBondContact O-N 2.88Å; N327-I329 WeakPolarHBondContact OD1-CD1 3.36Å; N327-I329 VanDerWaalsContact OD1-CG1 3.26Å; N327-I329 WeakPolarHBondContact OD1-CG1 3.48Å; N327-I329 PolarHBondContact OD1-N 2.62Å; I329-I332 PolarHBondContact O-N 2.87Å; I329-I332 VanDerWaalsContact O-N 3.13Å; I329-I333 HydrophobicContact CG2-CD1 3.56Å; I329-I333 HydrophobicContact CG2-CG1 4.07Å; I329-I333 PolarHBondContact O-N 3.13Å; I329-I333 VanDerWaalsContact O-N 3.13Å
330P93.5Very high80.4Confident15 Ų1539.5 Ų39.510%0.09722%0.22CC..Hα-helixtrans-57.5-42.9-178.6-20.931.3000115.5A291 Y295 N327 I332 I333 I334A291-P330 HydrophobicContact CB-CB 3.76Å; Y295-P330 HydrophobicContact CD1-CG 3.64Å; Y295-P330 HydrophobicContact CE1-CG 4.43Å; Y295-P330 HydrophobicContact CG-CG 3.77Å; N327-P330 WeakPolarHBondContact O-CD 3.41Å; P330-I332 VanDerWaalsContact C-N 3.25Å; P330-I332 PolarHBondContact O-N 3.26Å; P330-I333 PolarHBondContact O-N 3.19Å; P330-I334 WeakPolarHBondContact O-CB 3.46Å; P330-I334 VanDerWaalsContact O-CG1 3.29Å; P330-I334 WeakPolarHBondContact O-CG1 3.5Å; P330-I334 PolarHBondContact O-N 3.13Å
331P94.2Very high82.9Confident0 Ų037.6 Ų37.60%021%0.209CC..Hα-helixtrans-47.5-45.3171.3-31.932.9000114.1S27 I35 T288 V292 Y328 A335S27-P331 VanDerWaalsContact O-CB 3.32Å; S27-P331 WeakPolarHBondContact O-CB 3.22Å; I35-P331 HydrophobicContact CD1-CB 4.31Å; T288-P331 HydrophobicContact CG2-CB 3.85Å; T288-P331 HydrophobicContact CG2-CG 3.61Å; V292-P331 HydrophobicContact CG2-CG 3.43Å; V292-P331 VanDerWaalsContact CG2-CG 3.43Å; Y328-P331 HydrophobicContact CD1-CG 4.13Å; Y328-P331 WeakPolarHBondContact O-CD 3.18Å; P331-A335 WeakPolarHBondContact O-CB 3.43Å; P331-A335 PolarHBondContact O-N 2.89Å
332I93.9Very high85.1Confident0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-71-45-178-59.9166.9000109.8L28 I35 F92 L93 I329 P330 A335 L336L28-I332 HydrophobicContact CD1-CG1 3.85Å; I35-I332 HydrophobicContact CD1-CG1 4.48Å; F92-I332 HydrophobicContact CB-CD1 4.01Å; L93-I332 HydrophobicContact CD1-CG2 4.3Å; L93-I332 HydrophobicContact CD2-CB 4.07Å; L93-I332 HydrophobicContact CD2-CD1 3.63Å; L93-I332 HydrophobicContact CD2-CG1 4.45Å; L93-I332 HydrophobicContact CD2-CG2 3.89Å; L93-I332 HydrophobicContact CG-CD1 4.41Å; L93-I332 HydrophobicContact CG-CG2 3.88Å; I329-I332 PolarHBondContact O-N 2.87Å; I329-I332 VanDerWaalsContact O-N 3.13Å; P330-I332 VanDerWaalsContact C-N 3.25Å; P330-I332 PolarHBondContact O-N 3.26Å; I332-A335 PolarHBondContact O-N 3.35Å; I332-L336 HydrophobicContact CG2-CD1 3.97Å; I332-L336 HydrophobicContact CG2-CG 4.36Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 VanDerWaalsContact O-CG 3.24Å; I332-L336 WeakPolarHBondContact O-CG 3.4Å; I332-L336 PolarHBondContact O-N 2.79Å
333I94.6Very high87.2Confident79 Ų7930.3 Ų30.341%0.40517%0.171SC..Hα-helixtrans-61.9-46.6178-64.6177.7000111.1I329 P330 A335 L336 L337I329-I333 HydrophobicContact CG2-CD1 3.56Å; I329-I333 HydrophobicContact CG2-CG1 4.07Å; I329-I333 PolarHBondContact O-N 3.13Å; I329-I333 VanDerWaalsContact O-N 3.13Å; P330-I333 PolarHBondContact O-N 3.19Å; I333-A335 VanDerWaalsContact C-N 3.3Å; I333-A335 PolarHBondContact O-N 3.47Å; I333-L336 PolarHBondContact O-N 3.38Å; I333-L337 HydrophobicContact CG2-CD1 4.06Å; I333-L337 HydrophobicContact CG2-CG 4.41Å; I333-L337 WeakPolarHBondContact O-CG 3.41Å; I333-L337 PolarHBondContact O-N 2.71Å
334I95.4Very high89.3Confident19 Ų1933.1 Ų33.110%0.09719%0.187CC..Hα-helixtrans-62.6-40.8179.3-67.1164.4000110.3L287 A291 P330 S338L287-I334 HydrophobicContact CD2-CD1 4.19Å; L287-I334 HydrophobicContact CD2-CG1 4.3Å; L287-I334 HydrophobicContact CD2-CG2 4.1Å; L287-I334 HydrophobicContact CG-CD1 3.96Å; A291-I334 HydrophobicContact CB-CD1 3.9Å; P330-I334 WeakPolarHBondContact O-CB 3.46Å; P330-I334 VanDerWaalsContact O-CG1 3.29Å; P330-I334 WeakPolarHBondContact O-CG1 3.5Å; P330-I334 PolarHBondContact O-N 3.13Å; I334-S338 VanDerWaalsContact O-CB 3.29Å; I334-S338 WeakPolarHBondContact O-CB 3.49Å; I334-S338 PolarHBondContact O-N 3.18Å; I334-S338 PolarHBondContact O-OG 3.32Å
335A95.2Very high90.9Very high0 Ų031.3 Ų31.30%018%0.177CC..Hα-helixtrans-63.1-46.5174.900000111.9A24 S27 L28 M89 P331 I332 I333 L337 S338 V339A24-A335 HydrophobicContact CB-CB 4.43Å; S27-A335 WeakPolarHBondContact OG-CA 3.43Å; S27-A335 WeakPolarHBondContact OG-CB 3.28Å; S27-A335 PolarHBondContact OG-N 3.16Å; L28-A335 HydrophobicContact CB-CB 3.67Å; L28-A335 HydrophobicContact CD2-CB 4.28Å; M89-A335 HydrophobicContact SD-CB 4.19Å; P331-A335 WeakPolarHBondContact O-CB 3.43Å; P331-A335 PolarHBondContact O-N 2.89Å; I332-A335 PolarHBondContact O-N 3.35Å; I333-A335 VanDerWaalsContact C-N 3.3Å; I333-A335 PolarHBondContact O-N 3.47Å; A335-L337 PolarHBondContact O-N 3.18Å; A335-S338 PolarHBondContact O-N 3.46Å; A335-V339 WeakPolarHBondContact O-CG2 3.24Å; A335-V339 PolarHBondContact O-N 2.76Å
336L94.9Very high91.8Very high26 Ų2628.5 Ų28.514%0.13616%0.162CC..Hα-helixtrans-60-44.2178.2-73.4170.4000112.2L86 M89 L90 I332 I333 G340L86-L336 HydrophobicContact CD2-CD2 4.22Å; L86-L336 HydrophobicContact CG-CD2 4.06Å; L86-L336 VanDerWaalsContact O-CD2 3.23Å; L86-L336 WeakPolarHBondContact O-CD2 3.31Å; M89-L336 HydrophobicContact CB-CD2 3.79Å; M89-L336 HydrophobicContact CB-CG 4.5Å; L90-L336 HydrophobicContact CB-CD1 4.47Å; L90-L336 HydrophobicContact CB-CD2 4.17Å; L90-L336 HydrophobicContact CD1-CD1 3.71Å; I332-L336 HydrophobicContact CG2-CD1 3.97Å; I332-L336 HydrophobicContact CG2-CG 4.36Å; I332-L336 WeakPolarHBondContact O-CB 3.46Å; I332-L336 VanDerWaalsContact O-CG 3.24Å; I332-L336 WeakPolarHBondContact O-CG 3.4Å; I332-L336 PolarHBondContact O-N 2.79Å; I333-L336 PolarHBondContact O-N 3.38Å; L336-G340 PolarHBondContact O-N 3.22Å
337L95.6Very high92.2Very high111 Ų11132 Ų3258%0.58118%0.178SC*.Hα-helixtrans-63.2-44.3175.4-69.5174.4000111.2I333 A335 G340 I341I333-L337 HydrophobicContact CG2-CD1 4.06Å; I333-L337 HydrophobicContact CG2-CG 4.41Å; I333-L337 WeakPolarHBondContact O-CG 3.41Å; I333-L337 PolarHBondContact O-N 2.71Å; A335-L337 PolarHBondContact O-N 3.18Å; L337-G340 PolarHBondContact O-N 2.98Å; L337-I341 VanDerWaalsContact O-CG1 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.4Å; L337-I341 PolarHBondContact O-N 3.21Å
338S95.1Very high92.2Very high13 Ų1337.7 Ų37.79%0.09120%0.202CC..Hα-helixtrans-64.2-50.2-179.6-58.50000111.4C20 C23 I334 A335 G340 I341 G342C20-S338 VanDerWaalsContact CB-O 3.28Å; C20-S338 WeakPolarHBondContact CB-O 3.36Å; C20-S338 WeakPolarHBondContact O-CB 3.42Å; C23-S338 PolarHBondContact SG-OG 3.05Å; I334-S338 VanDerWaalsContact O-CB 3.29Å; I334-S338 WeakPolarHBondContact O-CB 3.49Å; I334-S338 PolarHBondContact O-N 3.18Å; I334-S338 PolarHBondContact O-OG 3.32Å; A335-S338 PolarHBondContact O-N 3.46Å; S338-G340 VanDerWaalsContact C-N 3.32Å; S338-G340 PolarHBondContact O-N 3.03Å; S338-I341 PolarHBondContact O-N 3.15Å; S338-G342 PolarHBondContact O-N 2.96Å
339V94.2Very high91.5Very high0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-63.4-39.4175.7179.10000110.4A24 S82 S85 L86 M89 A335 I341 G342 T343A24-V339 HydrophobicContact CB-CG2 3.48Å; A24-V339 VanDerWaalsContact CB-CG2 3.48Å; S82-V339 WeakPolarHBondContact O-CG1 3.41Å; S85-V339 WeakPolarHBondContact OG-CG1 3.39Å; L86-V339 HydrophobicContact CB-CG1 3.85Å; L86-V339 HydrophobicContact CD1-CG1 4.44Å; M89-V339 HydrophobicContact CE-CG2 4.07Å; M89-V339 HydrophobicContact SD-CG2 3.94Å; A335-V339 WeakPolarHBondContact O-CG2 3.24Å; A335-V339 PolarHBondContact O-N 2.76Å; V339-I341 PolarHBondContact O-N 3.41Å; V339-G342 CarbonylContact O-C 3.45Å; V339-G342 WeakPolarHBondContact O-CA 3.42Å; V339-G342 PolarHBondContact O-N 3.47Å; V339-G342 VanDerWaalsContact O-N 3.08Å; V339-T343 PolarHBondContact O-N 2.96Å; V339-T343 PolarHBondContact O-OG1 3.48Å
340G94Very high90.5Very high21 Ų2140.2 Ų40.222%0.21622%0.216CC..Hα-helixtrans-58.3-47.7177.200000112.9L86 L336 L337 S338 G342 T343 V344L86-G340 VanDerWaalsContact CD1-CA 3.44Å; L336-G340 PolarHBondContact O-N 3.22Å; L337-G340 PolarHBondContact O-N 2.98Å; S338-G340 VanDerWaalsContact C-N 3.32Å; S338-G340 PolarHBondContact O-N 3.03Å; G340-G342 VanDerWaalsContact C-N 3.31Å; G340-G342 PolarHBondContact O-N 3.45Å; G340-T343 PolarHBondContact O-N 3.13Å; G340-V344 WeakPolarHBondContact O-CG2 3.17Å; G340-V344 PolarHBondContact O-N 2.91Å
341I93.7Very high89.4Confident100 Ų10040.4 Ų40.451%0.51322%0.215SC..Hα-helixtrans-63.2-40.1173.5-62.4164.6000110.3I16 C20 L337 S338 V339 T343 V344 A345I16-I341 HydrophobicContact CG2-CG2 4.43Å; C20-I341 VanDerWaalsContact SG-CG2 3.53Å; L337-I341 VanDerWaalsContact O-CG1 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.4Å; L337-I341 PolarHBondContact O-N 3.21Å; S338-I341 PolarHBondContact O-N 3.15Å; V339-I341 PolarHBondContact O-N 3.41Å; I341-T343 PolarHBondContact O-N 2.92Å; I341-V344 PolarHBondContact O-N 3.44Å; I341-A345 WeakPolarHBondContact O-CB 2.98Å; I341-A345 PolarHBondContact O-N 3.32Å
342G91.8Very high87.7Confident0 Ų044.6 Ų44.60%024%0.237CC..Hα-helixtrans-61.4-39.6174.700000113.6N17 S338 V339 G340 A345 S346N17-G342 PolarHBondContact ND2-O 3.11Å; S338-G342 PolarHBondContact O-N 2.96Å; V339-G342 CarbonylContact O-C 3.45Å; V339-G342 WeakPolarHBondContact O-CA 3.42Å; V339-G342 PolarHBondContact O-N 3.47Å; V339-G342 VanDerWaalsContact O-N 3.08Å; G340-G342 VanDerWaalsContact C-N 3.31Å; G340-G342 PolarHBondContact O-N 3.45Å; G342-A345 PolarHBondContact O-N 2.82Å; G342-S346 PolarHBondContact O-N 2.9Å
343T91.4Very high85.7Confident19 Ų1950.3 Ų50.312%0.11727%0.268CS..Hα-helixtrans-65-45.4175.9-55.70000110M79 S82 V339 G340 I341 A345 S346 I347M79-T343 HydrophobicContact CG-CG2 4.29Å; S82-T343 WeakPolarHBondContact CB-OG1 3.46Å; S82-T343 PolarHBondContact OG-OG1 3.28Å; V339-T343 PolarHBondContact O-N 2.96Å; V339-T343 PolarHBondContact O-OG1 3.48Å; G340-T343 PolarHBondContact O-N 3.13Å; I341-T343 PolarHBondContact O-N 2.92Å; T343-A345 VanDerWaalsContact C-N 3.34Å; T343-A345 PolarHBondContact O-N 3.06Å; T343-S346 WeakPolarHBondContact O-CB 3.34Å; T343-S346 PolarHBondContact O-N 2.92Å; T343-S346 VanDerWaalsContact O-N 3.15Å; T343-S346 PolarHBondContact O-OG 3.15Å; T343-I347 PolarHBondContact O-N 3.07Å
344V91.1Very high83.6Confident82 Ų8248.5 Ų48.550%0.49726%0.262SS..Hα-helixtrans-61.9-42.8174.6175.60000111G340 I341 S346 I347 F348G340-V344 WeakPolarHBondContact O-CG2 3.17Å; G340-V344 PolarHBondContact O-N 2.91Å; I341-V344 PolarHBondContact O-N 3.44Å; V344-S346 VanDerWaalsContact C-N 3.25Å; V344-S346 PolarHBondContact O-N 3.29Å; V344-I347 WeakPolarHBondContact O-CB 3.43Å; V344-I347 PolarHBondContact O-N 3.12Å; V344-F348 HydrophobicContact CG1-CE2 4.06Å; V344-F348 VanDerWaalsContact O-CD2 3.3Å; V344-F348 WeakPolarHBondContact O-CD2 3.25Å
345A88.8Confident81.3Confident8 Ų854.7 Ų54.77%0.06630%0.296CS..Hα-helixtrans-62.4-32.6176.200000112.6I16 I341 G342 T343 I347 F348 C349I16-A345 HydrophobicContact CB-CB 4.17Å; I16-A345 HydrophobicContact CG2-CB 3.68Å; I341-A345 WeakPolarHBondContact O-CB 2.98Å; I341-A345 PolarHBondContact O-N 3.32Å; G342-A345 PolarHBondContact O-N 2.82Å; T343-A345 VanDerWaalsContact C-N 3.34Å; T343-A345 PolarHBondContact O-N 3.06Å; A345-I347 VanDerWaalsContact C-N 3.25Å; A345-I347 PolarHBondContact O-N 3.42Å; A345-F348 PolarHBondContact O-N 3.48Å; A345-F348 VanDerWaalsContact O-N 3.12Å; A345-C349 PolarHBondContact O-N 3.33Å
346S87.1Confident78.9Confident0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-64.4-28.2178.178.60000113.3N17 M79 G342 T343 V344 F348 C349N17-S346 PolarHBondContact ND2-N 2.95Å; M79-S346 WeakPolarHBondContact CA-OG 3.46Å; M79-S346 WeakPolarHBondContact CB-OG 3.41Å; G342-S346 PolarHBondContact O-N 2.9Å; T343-S346 WeakPolarHBondContact O-CB 3.34Å; T343-S346 PolarHBondContact O-N 2.92Å; T343-S346 VanDerWaalsContact O-N 3.15Å; T343-S346 PolarHBondContact O-OG 3.15Å; V344-S346 VanDerWaalsContact C-N 3.25Å; V344-S346 PolarHBondContact O-N 3.29Å; S346-F348 VanDerWaalsContact C-N 3.26Å; S346-F348 PolarHBondContact O-N 3.08Å; S346-C349 WeakPolarHBondContact O-CB 3.06Å; S346-C349 PolarHBondContact O-N 3.01Å
347I85.1Confident76.8Confident101 Ų10159.6 Ų59.652%0.51833%0.329SS..Hα-helixtrans-63.9-35.4174.7-61.5168.9000110.6M79 T343 V344 A345M79-I347 HydrophobicContact CG-CG1 4.41Å; M79-I347 HydrophobicContact SD-CD1 4.37Å; M79-I347 HydrophobicContact SD-CG1 3.72Å; T343-I347 PolarHBondContact O-N 3.07Å; V344-I347 WeakPolarHBondContact O-CB 3.43Å; V344-I347 PolarHBondContact O-N 3.12Å; A345-I347 VanDerWaalsContact C-N 3.25Å; A345-I347 PolarHBondContact O-N 3.42Å
348F84.2Confident74.7Confident148 Ų14860.8 Ų60.865%0.64933%0.332SS*.THydrogen-bonded Turntrans-91.7-3.3-178.7-61-72.3000113.9A13 V344 A345 S346 N350A13-F348 HydrophobicContact CB-CB 4.21Å; V344-F348 HydrophobicContact CG1-CE2 4.06Å; V344-F348 VanDerWaalsContact O-CD2 3.3Å; V344-F348 WeakPolarHBondContact O-CD2 3.25Å; A345-F348 PolarHBondContact O-N 3.48Å; A345-F348 VanDerWaalsContact O-N 3.12Å; S346-F348 VanDerWaalsContact C-N 3.26Å; S346-F348 PolarHBondContact O-N 3.08Å; F348-N350 PolarHBondContact O-N 2.96Å; F348-N350 VanDerWaalsContact O-N 3.08Å
349C76.9Confident72.6Confident4 Ų466.3 Ų66.33%0.02737%0.365CS..  trans-63.2113.5166.2-740000106.8N75 A345 S346N75-C349 PolarHBondContact ND2-O 3.01Å; N75-C349 WeakPolarHBondContact OD1-CB 3.41Å; N75-C349 PolarHBondContact OD1-O 3.43Å; A345-C349 PolarHBondContact O-N 3.33Å; S346-C349 WeakPolarHBondContact O-CB 3.06Å; S346-C349 PolarHBondContact O-N 3.01Å
350N70.7Confident71.3Confident99 Ų9968.1 Ų68.153%0.52937%0.373SS..  trans-97.2116.4172.5-1641.1000107.7F348F348-N350 PolarHBondContact O-N 2.96Å; F348-N350 VanDerWaalsContact O-N 3.08Å
351Y70.1Confident70.3Confident19 Ų1970.8 Ų70.88%0.07538%0.379CS..  trans-102.1115.7-175.7-167.2-105.4000108.2R74 N75 V257 S260 S354R74-Y351 HydrophobicContact CB-CD1 4.26Å; R74-Y351 HydrophobicContact CB-CD2 4.45Å; R74-Y351 HydrophobicContact CB-CG 4.26Å; R74-Y351 VanDerWaalsContact CD-CZ 3.47Å; R74-Y351 HydrophobicContact CG-CD1 4.11Å; R74-Y351 HydrophobicContact CG-CE1 3.91Å; R74-Y351 PolarHBondContact NE-OH 3.01Å; R74-Y351 PolarHBondContact NH1-OH 2.76Å; N75-Y351 WeakPolarHBondContact ND2-CB 2.93Å; N75-Y351 PolarHBondContact ND2-N 3.36Å; V257-Y351 HydrophobicContact CB-CD2 4.34Å; V257-Y351 HydrophobicContact CB-CE2 4.17Å; V257-Y351 HydrophobicContact CG1-CD2 3.97Å; V257-Y351 HydrophobicContact CG1-CE2 4.2Å; V257-Y351 HydrophobicContact CG2-CD2 3.79Å; V257-Y351 HydrophobicContact CG2-CE2 3.71Å; S260-Y351 WeakPolarHBondContact CB-OH 3.18Å; S260-Y351 PolarHBondContact OG-OH 3.2Å; S260-Y351 VanDerWaalsContact OG-OH 3.09Å; Y351-S354 WeakPolarHBondContact OH-CB 3.34Å; Y351-S354 PolarHBondContact OH-OG 2.81Å
352D57.5Low69.6Low87 Ų8770.6 Ų70.647%0.46538%0.383SS..  trans-72.5139.2168.2-67.1-23.7000108.1K10 S354K10-D352 IonicContact NZ-OD1 2.72Å; K10-D352 PolarHBondContact NZ-OD1 2.82Å; K10-D352 IonicContact NZ-OD2 2.63Å; K10-D352 PolarHBondContact NZ-OD2 2.93Å; D352-S354 VanDerWaalsContact C-N 3.33Å; D352-S354 PolarHBondContact O-N 3.14Å
353N51.8Low69.1Low121 Ų12176 Ų7665%0.64741%0.406SS*.  trans-53.193.8175.1-76-21.8000109.9
354S50.9Low68.7Low40 Ų4075.1 Ų75.128%0.2840%0.401SS..PPolyproline II helixtrans-66.2137.8163.457.90000107.8Y351 D352 S356Y351-S354 WeakPolarHBondContact OH-CB 3.34Å; Y351-S354 PolarHBondContact OH-OG 2.81Å; D352-S354 VanDerWaalsContact C-N 3.33Å; D352-S354 PolarHBondContact O-N 3.14Å; S354-S356 PolarHBondContact O-N 2.99Å
355N47.2Very low68.5Low150 Ų15074.5 Ų74.580%0.80239%0.394SS*.PPolyproline II helixtrans-46.5129.9164.2-68.4-19.3000108.6V357N355-V357 PolarHBondContact O-N 3.49Å; N355-V357 VanDerWaalsContact O-N 3.16Å
356S44.2Very low68.4Low62 Ų6278.2 Ų78.243%0.43442%0.416SS..PPolyproline II helixtrans-51.4122177.238.30000108.9S354 E358S354-S356 PolarHBondContact O-N 2.99Å; S356-E358 PolarHBondContact O-N 3.34Å
357V52.1Low68.3Low67 Ų6779.1 Ų79.141%0.40642%0.422SS..  trans-74.481.3166.3-176.80000105.5N355 T359N355-V357 PolarHBondContact O-N 3.49Å; N355-V357 VanDerWaalsContact O-N 3.16Å; V357-T359 PolarHBondContact O-N 2.94Å
358E50.3Low68.4Low136 Ų13674.3 Ų74.364%0.63640%0.397SS*.  trans-58.5133.8177.3-73.8-172.4158.400110S356 H360S356-E358 PolarHBondContact O-N 3.34Å; E358-H360 PolarHBondContact O-CD2 3.47Å; E358-H360 VanDerWaalsContact O-CG 3.31Å; E358-H360 PolarHBondContact O-N 3.4Å
359T52.5Low68.6Low129 Ų12972.8 Ų72.879%0.79140%0.395SS*.SBendtrans21.936.1153.657.30000120.9V357 F361V357-T359 PolarHBondContact O-N 2.94Å; T359-F361 VanDerWaalsContact C-N 3.27Å; T359-F361 PolarHBondContact O-N 3.32Å
360H66.3Low69.2Low37 Ų3782.3 Ų82.317%0.17143%0.43CS..  trans-80.6-4.9174-71.1-75.6000112.9E358 T362 K363 A364 Q500E358-H360 PolarHBondContact O-CD2 3.47Å; E358-H360 VanDerWaalsContact O-CG 3.31Å; E358-H360 PolarHBondContact O-N 3.4Å; H360-T362 VanDerWaalsContact C-N 3.35Å; H360-T362 PolarHBondContact O-N 3.07Å; H360-K363 PolarHBondContact O-N 3.19Å; H360-A364 WeakPolarHBondContact O-CB 3.29Å; H360-A364 PolarHBondContact O-N 2.92Å; H360-Q500 PolarHBondContact CE1-OE1 2.93Å; H360-Q500 PolarHBondContact NE2-OE1 3.38Å
361F72.4Confident70Confident78 Ų7877.8 Ų77.834%0.34241%0.406SS..Hα-helixtrans-60.6-41-176.4-174.8-99000112.7T359 A364 L365 I508T359-F361 VanDerWaalsContact C-N 3.27Å; T359-F361 PolarHBondContact O-N 3.32Å; F361-A364 WeakPolarHBondContact O-CB 3.47Å; F361-A364 PolarHBondContact O-N 2.96Å; F361-L365 HydrophobicContact CE1-CD2 4.32Å; F361-L365 VanDerWaalsContact O-CB 3.25Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 PolarHBondContact O-N 3.46Å; F361-I508 HydrophobicContact CE2-CD1 4.26Å; F361-I508 HydrophobicContact CE2-CG1 3.86Å; F361-I508 HydrophobicContact CZ-CG1 4.34Å
362T78.8Confident70.9Confident95 Ų9578.5 Ų78.558%0.58341%0.413SS*.Hα-helixtrans-66.4-40.5178.254.40000111.9H360 T366H360-T362 VanDerWaalsContact C-N 3.35Å; H360-T362 PolarHBondContact O-N 3.07Å; T362-T366 VanDerWaalsContact O-CB 3.31Å; T362-T366 WeakPolarHBondContact O-CB 3.32Å; T362-T366 PolarHBondContact O-N 3.27Å; T362-T366 PolarHBondContact O-OG1 2.88Å
363K82.2Confident72.5Confident115 Ų11575.3 Ų75.350%0.540%0.397SS..Hα-helixtrans-64-42.2171.9-68.8-178.2180176.40111.4H360 T366 T367 I501H360-K363 PolarHBondContact O-N 3.19Å; K363-T366 PolarHBondContact O-N 3.34Å; K363-T367 WeakPolarHBondContact O-CB 3.31Å; K363-T367 PolarHBondContact O-N 3.41Å; K363-T367 PolarHBondContact O-OG1 3.27Å; K363-I501 HydrophobicContact CB-CD1 4.26Å
364A82.6Confident74.4Confident0 Ų069.6 Ų69.60%037%0.366CS..Hα-helixtrans-64-44.7177.100000111.7H360 F361 T367 A368 I501 I508H360-A364 WeakPolarHBondContact O-CB 3.29Å; H360-A364 PolarHBondContact O-N 2.92Å; F361-A364 WeakPolarHBondContact O-CB 3.47Å; F361-A364 PolarHBondContact O-N 2.96Å; A364-T367 WeakPolarHBondContact O-CB 3.38Å; A364-T367 PolarHBondContact O-N 2.78Å; A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 2.92Å; A364-I501 HydrophobicContact CB-CG2 3.72Å; A364-I508 HydrophobicContact CB-CD1 4.34Å
365L86.3Confident76.4Confident68 Ų6871.3 Ų71.336%0.35637%0.372SS..Hα-helixtrans-62.9-47.7176.4-177.863.1000111.2F361 T367 A368 I369 I508F361-L365 HydrophobicContact CE1-CD2 4.32Å; F361-L365 VanDerWaalsContact O-CB 3.25Å; F361-L365 WeakPolarHBondContact O-CB 3.47Å; F361-L365 PolarHBondContact O-N 3.46Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 PolarHBondContact O-N 3.45Å; L365-A368 PolarHBondContact O-N 3.49Å; L365-I369 HydrophobicContact CD1-CD1 3.97Å; L365-I369 HydrophobicContact CD1-CG1 4.42Å; L365-I369 HydrophobicContact CG-CD1 3.97Å; L365-I369 WeakPolarHBondContact O-CG1 3.4Å; L365-I369 PolarHBondContact O-N 3.21Å; L365-I508 HydrophobicContact CB-CD1 4.45Å; L365-I508 HydrophobicContact CD1-CD1 4.43Å
366T86.5Confident78.6Confident87 Ų8764.4 Ų64.453%0.53433%0.334SS..Hα-helixtrans-60.7-40175.6-55.60000110.9T362 K363 R370T362-T366 VanDerWaalsContact O-CB 3.31Å; T362-T366 WeakPolarHBondContact O-CB 3.32Å; T362-T366 PolarHBondContact O-N 3.27Å; T362-T366 PolarHBondContact O-OG1 2.88Å; K363-T366 PolarHBondContact O-N 3.34Å; T366-R370 VanDerWaalsContact O-CB 3.26Å; T366-R370 WeakPolarHBondContact O-CB 3.21Å; T366-R370 PolarHBondContact O-N 3.45Å
367T86.2Confident81Confident18 Ų1861.4 Ų61.411%0.1131%0.314CS..Hα-helixtrans-64.6-41.5176.2-68.80000112.1K363 A364 L365 R370 S371 V490 K494 L505K363-T367 WeakPolarHBondContact O-CB 3.31Å; K363-T367 PolarHBondContact O-N 3.41Å; K363-T367 PolarHBondContact O-OG1 3.27Å; A364-T367 WeakPolarHBondContact O-CB 3.38Å; A364-T367 PolarHBondContact O-N 2.78Å; L365-T367 VanDerWaalsContact C-N 3.26Å; L365-T367 PolarHBondContact O-N 3.45Å; T367-R370 PolarHBondContact O-N 3.32Å; T367-S371 VanDerWaalsContact O-CB 3.27Å; T367-S371 WeakPolarHBondContact O-CB 3.27Å; T367-S371 PolarHBondContact O-N 3.29Å; T367-V490 HydrophobicContact CG2-CG1 4.08Å; T367-K494 HydrophobicContact CG2-CD 3.52Å; T367-K494 PolarHBondContact O-NZ 3.06Å; T367-L505 HydrophobicContact CG2-CD2 4.49Å
368A87Confident83.1Confident1 Ų159.9 Ų59.91%0.00830%0.303CS..Hα-helixtrans-66.5-45.6179.300000112A364 L365 R370 M374 L378 L505 I508A364-A368 WeakPolarHBondContact O-CB 3.46Å; A364-A368 PolarHBondContact O-N 2.92Å; L365-A368 PolarHBondContact O-N 3.49Å; A368-R370 VanDerWaalsContact C-N 3.31Å; A368-R370 PolarHBondContact O-N 3.46Å; A368-M374 HydrophobicContact CB-CE 4.29Å; A368-M374 HydrophobicContact CB-CG 3.64Å; A368-L378 HydrophobicContact CB-CD1 4.44Å; A368-L505 HydrophobicContact CB-CD2 3.94Å; A368-I508 HydrophobicContact CB-CD1 4.32Å
369I88.8Confident85.2Confident116 Ų11656.4 Ų56.460%0.59529%0.287SS*.Hα-helixtrans-68.4-31179.2-65168.3000111.5L365 I375L365-I369 HydrophobicContact CD1-CD1 3.97Å; L365-I369 HydrophobicContact CD1-CG1 4.42Å; L365-I369 HydrophobicContact CG-CD1 3.97Å; L365-I369 WeakPolarHBondContact O-CG1 3.4Å; L365-I369 PolarHBondContact O-N 3.21Å; I369-I375 WeakPolarHBondContact O-CD1 3.35Å
370R88.5Confident87.3Confident204 Ų20450.3 Ų50.377%0.7725%0.25SS*.Hα-helixtrans-88.2-16.5-178.3-172.3171.8176.1170.10.6114.1T366 T367 A368T366-R370 VanDerWaalsContact O-CB 3.26Å; T366-R370 WeakPolarHBondContact O-CB 3.21Å; T366-R370 PolarHBondContact O-N 3.45Å; T367-R370 PolarHBondContact O-N 3.32Å; A368-R370 VanDerWaalsContact C-N 3.31Å; A368-R370 PolarHBondContact O-N 3.46Å
371S88.5Confident88.7Confident3 Ų348.6 Ų48.62%0.02124%0.242CC..  trans-92.3119.3-176.1177.30000111T367 T373 M374 I375 V490T367-S371 VanDerWaalsContact O-CB 3.27Å; T367-S371 WeakPolarHBondContact O-CB 3.27Å; T367-S371 PolarHBondContact O-N 3.29Å; S371-T373 VanDerWaalsContact C-N 3.27Å; S371-T373 PolarHBondContact O-N 3.05Å; S371-M374 PolarHBondContact O-N 3.49Å; S371-M374 PolarHBondContact OG-N 2.94Å; S371-I375 WeakPolarHBondContact O-CG1 3.34Å; S371-I375 PolarHBondContact O-N 3.19Å; S371-V490 WeakPolarHBondContact OG-CG2 3.27Å
372P89.6Confident89.8Confident35 Ų3547.6 Ų47.623%0.22724%0.238CC..Hα-helixtrans-60.5-37.5178.723.6-32.5000112M374 I375 Q376 L559 K563P372-M374 VanDerWaalsContact C-N 3.32Å; P372-M374 PolarHBondContact O-N 2.67Å; P372-I375 PolarHBondContact O-N 2.91Å; P372-Q376 PolarHBondContact O-N 3.32Å; P372-L559 HydrophobicContact CB-CB 4.36Å; P372-K563 HydrophobicContact CG-CD 4.23Å; P372-K563 HydrophobicContact CG-CG 4.26Å
373T90.4Very high90.7Very high19 Ų1944.9 Ų44.912%0.11722%0.219CC..Hα-helixtrans-64.9-36176.4-53.40000112S371 C377 Q486 V490S371-T373 VanDerWaalsContact C-N 3.27Å; S371-T373 PolarHBondContact O-N 3.05Å; T373-C377 WeakPolarHBondContact O-CB 3.47Å; T373-C377 PolarHBondContact O-N 3.32Å; T373-Q486 HydrophobicContact CG2-CB 4.39Å; T373-Q486 HydrophobicContact CG2-CG 4.42Å; T373-V490 HydrophobicContact CG2-CG2 3.84Å
374M92.3Very high91.3Very high1 Ų139.4 Ų39.41%0.00520%0.195CC..Hα-helixtrans-74.7-37.6176.4-169.361.6178.100111.8A368 S371 P372 Q376 C377 L378 T487 V490 L505A368-M374 HydrophobicContact CB-CE 4.29Å; A368-M374 HydrophobicContact CB-CG 3.64Å; S371-M374 PolarHBondContact O-N 3.49Å; S371-M374 PolarHBondContact OG-N 2.94Å; P372-M374 VanDerWaalsContact C-N 3.32Å; P372-M374 PolarHBondContact O-N 2.67Å; M374-Q376 VanDerWaalsContact C-N 3.3Å; M374-Q376 PolarHBondContact O-N 2.86Å; M374-C377 WeakPolarHBondContact O-CB 3.33Å; M374-C377 PolarHBondContact O-N 2.93Å; M374-C377 HydrophobicContact SD-CB 4.25Å; M374-L378 HydrophobicContact CE-CD1 4.27Å; M374-L378 HydrophobicContact CE-CD2 3.89Å; M374-L378 HydrophobicContact CE-CG 4Å; M374-L378 HydrophobicContact CG-CD1 4.14Å; M374-L378 HydrophobicContact CG-CG 4.29Å; M374-L378 WeakPolarHBondContact O-CB 3.16Å; M374-L378 VanDerWaalsContact O-CG 3.29Å; M374-L378 WeakPolarHBondContact O-CG 3.41Å; M374-L378 PolarHBondContact O-N 3.45Å; M374-L378 HydrophobicContact SD-CG 4.48Å; M374-T487 HydrophobicContact CE-CG2 4.18Å; M374-T487 HydrophobicContact SD-CG2 3.99Å; M374-V490 HydrophobicContact CB-CG1 4.36Å; M374-V490 HydrophobicContact CB-CG2 4.28Å; M374-L505 HydrophobicContact CE-CB 4.21Å; M374-L505 HydrophobicContact CE-CD2 3.98Å; M374-L505 HydrophobicContact CG-CD2 4.48Å; M374-L505 HydrophobicContact SD-CD2 4.39Å
375I92.8Very high92Very high77 Ų7739.4 Ų39.440%0.39520%0.195SC..Hα-helixtrans-58.5-45.5172.6-64.8169.9000110.2I369 S371 P372 C377 L378 M379I369-I375 WeakPolarHBondContact O-CD1 3.35Å; S371-I375 WeakPolarHBondContact O-CG1 3.34Å; S371-I375 PolarHBondContact O-N 3.19Å; P372-I375 PolarHBondContact O-N 2.91Å; I375-C377 PolarHBondContact O-N 3.28Å; I375-L378 PolarHBondContact O-N 3.46Å; I375-M379 WeakPolarHBondContact O-CB 3.43Å; I375-M379 PolarHBondContact O-N 3.36Å
376Q93Very high92.5Very high4 Ų437 Ų372%0.01918%0.183CC..Hα-helixtrans-58.4-48.2174.4-170.7-166.2-20.900111.5P372 M374 L378 M379 V380 L559P372-Q376 PolarHBondContact O-N 3.32Å; M374-Q376 VanDerWaalsContact C-N 3.3Å; M374-Q376 PolarHBondContact O-N 2.86Å; Q376-L378 PolarHBondContact O-N 2.91Å; Q376-M379 PolarHBondContact O-N 2.95Å; Q376-V380 WeakPolarHBondContact O-CG2 3.19Å; Q376-V380 PolarHBondContact O-N 3Å; Q376-L559 HydrophobicContact CB-CD1 3.75Å; Q376-L559 HydrophobicContact CG-CD1 4.37Å
377C94.5Very high92.9Very high0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-57.8-47.3178.5-174.70000111.6T373 M374 I375 M379 V380 A381 L483 Q486T373-C377 WeakPolarHBondContact O-CB 3.47Å; T373-C377 PolarHBondContact O-N 3.32Å; M374-C377 WeakPolarHBondContact O-CB 3.33Å; M374-C377 PolarHBondContact O-N 2.93Å; M374-C377 HydrophobicContact SD-CB 4.25Å; I375-C377 PolarHBondContact O-N 3.28Å; C377-M379 PolarHBondContact O-N 2.85Å; C377-V380 PolarHBondContact O-N 2.7Å; C377-A381 VanDerWaalsContact O-CB 3.28Å; C377-A381 WeakPolarHBondContact O-CB 3.37Å; C377-A381 PolarHBondContact O-N 3.29Å; C377-L483 VanDerWaalsContact SG-CD2 3.52Å; C377-Q486 HydrophobicContact CB-CB 4.23Å; C377-Q486 VanDerWaalsContact CB-OE1 3.3Å
378L95Very high93.3Very high34 Ų3432.6 Ų32.618%0.17816%0.155CC..Hα-helixtrans-66.4-36.7178.8-69.8174.7000112.7A368 M374 I375 Q376 A381 F382 I508 T512A368-L378 HydrophobicContact CB-CD1 4.44Å; M374-L378 HydrophobicContact CE-CD1 4.27Å; M374-L378 HydrophobicContact CE-CD2 3.89Å; M374-L378 HydrophobicContact CE-CG 4Å; M374-L378 HydrophobicContact CG-CD1 4.14Å; M374-L378 HydrophobicContact CG-CG 4.29Å; M374-L378 WeakPolarHBondContact O-CB 3.16Å; M374-L378 VanDerWaalsContact O-CG 3.29Å; M374-L378 WeakPolarHBondContact O-CG 3.41Å; M374-L378 PolarHBondContact O-N 3.45Å; M374-L378 HydrophobicContact SD-CG 4.48Å; I375-L378 PolarHBondContact O-N 3.46Å; Q376-L378 PolarHBondContact O-N 2.91Å; L378-A381 PolarHBondContact O-N 3.5Å; L378-F382 VanDerWaalsContact O-CB 3.25Å; L378-F382 WeakPolarHBondContact O-CB 3.41Å; L378-F382 PolarHBondContact O-N 3.02Å; L378-I508 HydrophobicContact CD1-CG2 4.36Å; L378-I508 HydrophobicContact CD2-CG2 3.92Å; L378-T512 HydrophobicContact CD2-CG2 4.42Å
379M95.3Very high93.7Very high63 Ų6332.6 Ų32.631%0.3116%0.155SC..Hα-helixtrans-63.3-48.6174.2-175.7-170.7-173.700111.4I375 Q376 C377 A381 F382 M383 L551 V555I375-M379 WeakPolarHBondContact O-CB 3.43Å; I375-M379 PolarHBondContact O-N 3.36Å; Q376-M379 PolarHBondContact O-N 2.95Å; C377-M379 PolarHBondContact O-N 2.85Å; M379-A381 VanDerWaalsContact C-N 3.31Å; M379-A381 PolarHBondContact O-N 3.48Å; M379-F382 PolarHBondContact O-N 3.32Å; M379-M383 HydrophobicContact CG-CG 4.43Å; M379-M383 WeakPolarHBondContact O-CG 3.32Å; M379-M383 PolarHBondContact O-N 2.86Å; M379-L551 HydrophobicContact CE-CD2 3.34Å; M379-L551 HydrophobicContact SD-CD2 4.23Å; M379-V555 HydrophobicContact CE-CG2 4.07Å; M379-V555 HydrophobicContact SD-CB 4.22Å; M379-V555 HydrophobicContact SD-CG1 3.74Å; M379-V555 HydrophobicContact SD-CG2 3.81Å
380V96.1Very high94Very high2 Ų227 Ų271%0.01213%0.126CC..Hα-helixtrans-60.1-44.6177.3170.40000110.5Q376 C377 T384 Q442 L479 L483 F552Q376-V380 WeakPolarHBondContact O-CG2 3.19Å; Q376-V380 PolarHBondContact O-N 3Å; C377-V380 PolarHBondContact O-N 2.7Å; V380-T384 VanDerWaalsContact O-CB 3.31Å; V380-T384 WeakPolarHBondContact O-CB 3.28Å; V380-T384 PolarHBondContact O-N 3.37Å; V380-T384 PolarHBondContact O-OG1 2.99Å; V380-Q442 HydrophobicContact CG1-CB 4.43Å; V380-Q442 HydrophobicContact CG1-CG 4.07Å; V380-L479 HydrophobicContact CG1-CD1 4.01Å; V380-L483 HydrophobicContact CB-CD2 4.15Å; V380-L483 HydrophobicContact CG1-CD2 3.91Å; V380-F552 HydrophobicContact CB-CE1 4.44Å; V380-F552 HydrophobicContact CB-CE2 4.23Å; V380-F552 HydrophobicContact CB-CZ 4.18Å; V380-F552 HydrophobicContact CG1-CD2 4.06Å; V380-F552 HydrophobicContact CG1-CE2 3.57Å; V380-F552 HydrophobicContact CG1-CZ 3.89Å; V380-F552 HydrophobicContact CG2-CB 4.43Å; V380-F552 HydrophobicContact CG2-CD1 3.86Å; V380-F552 HydrophobicContact CG2-CD2 3.92Å; V380-F552 HydrophobicContact CG2-CE1 4.02Å; V380-F552 HydrophobicContact CG2-CE2 4.05Å; V380-F552 HydrophobicContact CG2-CG 3.81Å; V380-F552 HydrophobicContact CG2-CZ 4.12Å
381A95.6Very high94.2Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-63-40.917800000112.4C377 L378 M379 G385 L483 L509 M513C377-A381 VanDerWaalsContact O-CB 3.28Å; C377-A381 WeakPolarHBondContact O-CB 3.37Å; C377-A381 PolarHBondContact O-N 3.29Å; L378-A381 PolarHBondContact O-N 3.5Å; M379-A381 VanDerWaalsContact C-N 3.31Å; M379-A381 PolarHBondContact O-N 3.48Å; A381-G385 WeakPolarHBondContact O-CA 3.4Å; A381-G385 PolarHBondContact O-N 3.23Å; A381-L483 HydrophobicContact CB-CD1 4.31Å; A381-L509 HydrophobicContact CB-CD1 3.45Å; A381-L509 VanDerWaalsContact CB-CD1 3.45Å; A381-M513 HydrophobicContact CB-CB 4.27Å
382F96.5Very high94.4Very high57 Ų5720.3 Ų20.325%0.2511%0.11CC..Hα-helixtrans-65.6-51.6177-179.9-98.5000111.7L378 M379 G385 L386 T512 L516 S517 L520L378-F382 VanDerWaalsContact O-CB 3.25Å; L378-F382 WeakPolarHBondContact O-CB 3.41Å; L378-F382 PolarHBondContact O-N 3.02Å; M379-F382 PolarHBondContact O-N 3.32Å; F382-G385 PolarHBondContact O-N 3.29Å; F382-L386 HydrophobicContact CD1-CD1 4.42Å; F382-L386 HydrophobicContact CE1-CD1 3.93Å; F382-L386 HydrophobicContact CZ-CD1 4.4Å; F382-L386 PolarHBondContact O-N 3.15Å; F382-L386 VanDerWaalsContact O-N 3.11Å; F382-T512 HydrophobicContact CB-CG2 3.82Å; F382-T512 HydrophobicContact CD2-CG2 4.3Å; F382-L516 HydrophobicContact CD2-CD2 4.33Å; F382-L516 HydrophobicContact CD2-CG 4.4Å; F382-L516 HydrophobicContact CE2-CD2 4.28Å; F382-L516 HydrophobicContact CE2-CG 4.1Å; F382-S517 VanDerWaalsContact O-CB 3.24Å; F382-S517 WeakPolarHBondContact O-CB 3.42Å; F382-L520 HydrophobicContact CE2-CD1 3.96Å; F382-L520 HydrophobicContact CZ-CD1 3.83Å
383M96.6Very high94.5Very high38 Ų3819.3 Ų19.319%0.18710%0.102CC..Hα-helixtrans-64.4-44.6-178.3-67-65.4-77.600111.5M379 G385 L386 Y544 F552M379-M383 HydrophobicContact CG-CG 4.43Å; M379-M383 WeakPolarHBondContact O-CG 3.32Å; M379-M383 PolarHBondContact O-N 2.86Å; M383-G385 VanDerWaalsContact C-N 3.31Å; M383-G385 PolarHBondContact O-N 3.17Å; M383-L386 WeakPolarHBondContact O-CB 3.04Å; M383-L386 PolarHBondContact O-N 2.97Å; M383-L386 HydrophobicContact SD-CD1 4.48Å; M383-Y544 VanDerWaalsContact CA-OH 3.22Å; M383-Y544 WeakPolarHBondContact CA-OH 3.37Å; M383-Y544 WeakPolarHBondContact CB-OH 3.42Å; M383-Y544 HydrophobicContact CE-CE2 3.72Å; M383-Y544 WeakPolarHBondContact CE-OH 3.34Å; M383-Y544 WeakPolarHBondContact O-CE1 3.28Å; M383-Y544 PolarHBondContact O-OH 3.42Å; M383-Y544 PolarHBondContact SD-OH 2.95Å; M383-F552 HydrophobicContact CB-CE1 4.09Å; M383-F552 HydrophobicContact CB-CZ 4.18Å; M383-F552 HydrophobicContact CG-CE1 4.48Å
384T96.1Very high94.8Very high1 Ų118.4 Ų18.41%0.00610%0.097CC..Hα-helixtrans-69.1-34.6177.2-44.10000111.8V380 L386 I387 I388 Q446 L449 L479V380-T384 VanDerWaalsContact O-CB 3.31Å; V380-T384 WeakPolarHBondContact O-CB 3.28Å; V380-T384 PolarHBondContact O-N 3.37Å; V380-T384 PolarHBondContact O-OG1 2.99Å; T384-L386 VanDerWaalsContact C-N 3.26Å; T384-L386 PolarHBondContact O-N 2.92Å; T384-I387 PolarHBondContact O-N 3.29Å; T384-I388 HydrophobicContact CG2-CD1 4.23Å; T384-I388 WeakPolarHBondContact O-CG1 3.41Å; T384-I388 PolarHBondContact O-N 3.5Å; T384-Q446 PolarHBondContact OG1-NE2 2.86Å; T384-L449 HydrophobicContact CG2-CD1 3.88Å; T384-L479 HydrophobicContact CG2-CD2 3.35Å
385G96Very high94.9Very high0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-61.3-31.3175.400000113.5A381 F382 M383 I387 I388 S389 S517A381-G385 WeakPolarHBondContact O-CA 3.4Å; A381-G385 PolarHBondContact O-N 3.23Å; F382-G385 PolarHBondContact O-N 3.29Å; M383-G385 VanDerWaalsContact C-N 3.31Å; M383-G385 PolarHBondContact O-N 3.17Å; G385-I387 VanDerWaalsContact C-N 3.3Å; G385-I387 PolarHBondContact O-N 2.9Å; G385-I388 PolarHBondContact O-N 3.44Å; G385-S389 WeakPolarHBondContact O-CB 3.5Å; G385-S389 PolarHBondContact O-N 3.4Å; G385-S517 WeakPolarHBondContact CA-OG 3.42Å
386L96.5Very high94.9Very high18 Ų1815.3 Ų15.39%0.0948%0.08CC..Hα-helixtrans-62.5-37.1172.1-70.4171.3000112F382 M383 T384 S389 F390 S517 L520 I524 W525 Y544F382-L386 HydrophobicContact CD1-CD1 4.42Å; F382-L386 HydrophobicContact CE1-CD1 3.93Å; F382-L386 HydrophobicContact CZ-CD1 4.4Å; F382-L386 PolarHBondContact O-N 3.15Å; F382-L386 VanDerWaalsContact O-N 3.11Å; M383-L386 WeakPolarHBondContact O-CB 3.04Å; M383-L386 PolarHBondContact O-N 2.97Å; M383-L386 HydrophobicContact SD-CD1 4.48Å; T384-L386 VanDerWaalsContact C-N 3.26Å; T384-L386 PolarHBondContact O-N 2.92Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; L386-F390 PolarHBondContact O-N 3.37Å; L386-S517 WeakPolarHBondContact CD2-O 3.2Å; L386-L520 HydrophobicContact CD2-CB 4.24Å; L386-I524 HydrophobicContact CD2-CD1 4.35Å; L386-W525 PolarHBondContact O-NE1 2.91Å; L386-Y544 WeakPolarHBondContact CD1-OH 3.45Å
387I96.1Very high94.9Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-76.4-39.7176.5-74.9-71.4000111.8T384 G385 S389 F390 V391 L449 F453 W525 A541 Y544 T545T384-I387 PolarHBondContact O-N 3.29Å; G385-I387 VanDerWaalsContact C-N 3.3Å; G385-I387 PolarHBondContact O-N 2.9Å; I387-S389 PolarHBondContact O-N 3.04Å; I387-F390 WeakPolarHBondContact O-CB 3.43Å; I387-F390 PolarHBondContact O-N 3.14Å; I387-V391 PolarHBondContact O-N 3.3Å; I387-V391 VanDerWaalsContact O-N 3.07Å; I387-L449 HydrophobicContact CG2-CD1 4.45Å; I387-F453 HydrophobicContact CD1-CE2 4.26Å; I387-F453 HydrophobicContact CG2-CE2 3.5Å; I387-F453 VanDerWaalsContact CG2-CE2 3.5Å; I387-F453 HydrophobicContact CG2-CZ 3.75Å; I387-W525 HydrophobicContact CD1-CH2 4.41Å; I387-W525 HydrophobicContact CD1-CZ2 3.92Å; I387-A541 HydrophobicContact CD1-CB 3.9Å; I387-Y544 HydrophobicContact CD1-CD1 3.47Å; I387-Y544 VanDerWaalsContact CD1-CD1 3.47Å; I387-Y544 HydrophobicContact CD1-CE1 4.04Å; I387-Y544 HydrophobicContact CD1-CG 4.25Å; I387-Y544 HydrophobicContact CG1-CD1 3.29Å; I387-Y544 HydrophobicContact CG1-CE1 3.36Å; I387-Y544 HydrophobicContact CG1-CG 4.44Å; I387-T545 HydrophobicContact CD1-CG2 3.9Å; I387-T545 HydrophobicContact CG1-CG2 3.83Å; I387-T545 HydrophobicContact CG2-CG2 4.12Å
388I94Very high94.9Very high12 Ų1215.4 Ų15.46%0.0628%0.081CC..Hα-helixtrans-60.6-36.6174.3-68.9171.2000110.2T384 G385 F390 V391 S392 Y476 M513 Y514T384-I388 HydrophobicContact CG2-CD1 4.23Å; T384-I388 WeakPolarHBondContact O-CG1 3.41Å; T384-I388 PolarHBondContact O-N 3.5Å; G385-I388 PolarHBondContact O-N 3.44Å; I388-F390 PolarHBondContact O-N 2.94Å; I388-V391 PolarHBondContact O-N 2.94Å; I388-S392 WeakPolarHBondContact O-CB 3.35Å; I388-S392 PolarHBondContact O-N 3.41Å; I388-S392 PolarHBondContact O-OG 3.5Å; I388-S392 VanDerWaalsContact O-OG 3.07Å; I388-Y476 HydrophobicContact CD1-CD2 4.35Å; I388-Y476 HydrophobicContact CD1-CE2 4.39Å; I388-M513 HydrophobicContact CD1-CE 3.09Å; I388-Y514 HydrophobicContact CG2-CE1 4.25Å
389S94.9Very high94.8Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-58.8-44172.3-1740000112.5G385 L386 I387 V391 S392 E393 S518 G521 G522G385-S389 WeakPolarHBondContact O-CB 3.5Å; G385-S389 PolarHBondContact O-N 3.4Å; L386-S389 WeakPolarHBondContact O-CB 3.48Å; I387-S389 PolarHBondContact O-N 3.04Å; S389-V391 VanDerWaalsContact C-N 3.33Å; S389-V391 PolarHBondContact O-N 2.98Å; S389-S392 WeakPolarHBondContact CA-OG 3.33Å; S389-S392 PolarHBondContact O-N 2.96Å; S389-S392 PolarHBondContact O-OG 3.26Å; S389-E393 WeakPolarHBondContact O-CB 3.37Å; S389-E393 WeakPolarHBondContact O-CG 3.25Å; S389-E393 PolarHBondContact O-N 2.91Å; S389-S518 PolarHBondContact OG-O 3.15Å; S389-G521 VanDerWaalsContact OG-C 3.31Å; S389-G522 PolarHBondContact OG-N 3.32Å
390F95.9Very high94.5Very high0 Ų011.5 Ų11.50%06%0.062CC..Iπ-helixtrans-58.3-46.5174178.8-107.8000111.7L386 I387 I388 Y394 N395 I398 F453 W525 L537 Y538 A541L386-F390 PolarHBondContact O-N 3.37Å; I387-F390 WeakPolarHBondContact O-CB 3.43Å; I387-F390 PolarHBondContact O-N 3.14Å; I388-F390 PolarHBondContact O-N 2.94Å; F390-Y394 WeakPolarHBondContact O-CA 3.28Å; F390-Y394 PolarHBondContact O-N 3.46Å; F390-N395 PolarHBondContact O-N 3.32Å; F390-I398 HydrophobicContact CE2-CD1 3.97Å; F390-I398 HydrophobicContact CZ-CD1 4.01Å; F390-F453 AromaticContact CD1-CE1 3.72Å; F390-F453 HydrophobicContact CD1-CE1 3.72Å; F390-F453 HydrophobicContact CD1-CZ 4.05Å; F390-F453 HydrophobicContact CE1-CD1 4.48Å; F390-F453 AromaticContact CE1-CE1 3.73Å; F390-F453 HydrophobicContact CE1-CE1 3.73Å; F390-W525 HydrophobicContact CB-CD2 4.01Å; F390-W525 HydrophobicContact CB-CG 3.99Å; F390-W525 HydrophobicContact CB-CZ2 4.32Å; F390-W525 HydrophobicContact CD2-CB 4.1Å; F390-W525 AromaticContact CD2-CD2 3.67Å; F390-W525 HydrophobicContact CD2-CD2 3.67Å; F390-W525 AromaticContact CD2-CE3 3.85Å; F390-W525 HydrophobicContact CD2-CE3 3.85Å; F390-W525 AromaticContact CD2-CG 3.77Å; F390-W525 HydrophobicContact CD2-CG 3.77Å; F390-W525 HydrophobicContact CE2-CE3 4.34Å; F390-W525 HydrophobicContact CG-CD2 4.16Å; F390-W525 HydrophobicContact CG-CG 4.34Å; F390-L537 HydrophobicContact CE2-CB 4.19Å; F390-L537 HydrophobicContact CE2-CD2 4.06Å; F390-L537 HydrophobicContact CZ-CB 4.35Å; F390-Y538 AromaticContact CE1-CD1 3.51Å; F390-Y538 HydrophobicContact CE1-CD1 3.51Å; F390-Y538 AromaticContact CE1-CE1 3.46Å; F390-Y538 HydrophobicContact CE1-CE1 3.46Å; F390-Y538 VanDerWaalsContact CE1-CE1 3.46Å; F390-Y538 AromaticContact CZ-CD1 3.67Å; F390-Y538 HydrophobicContact CZ-CD1 3.67Å; F390-Y538 AromaticContact CZ-CE1 3.59Å; F390-Y538 HydrophobicContact CZ-CE1 3.59Å; F390-Y538 HydrophobicContact CZ-CG 4.44Å; F390-A541 HydrophobicContact CD1-CB 4.46Å; F390-A541 HydrophobicContact CE1-CB 4.48Å
391V93.6Very high94Very high19 Ų1914.3 Ų14.312%0.1158%0.079CC..Iπ-helixtrans-63.9-46.3179.5178.30000111.2I387 I388 S389 N395 F453 Y472I387-V391 PolarHBondContact O-N 3.3Å; I387-V391 VanDerWaalsContact O-N 3.07Å; I388-V391 PolarHBondContact O-N 2.94Å; S389-V391 VanDerWaalsContact C-N 3.33Å; S389-V391 PolarHBondContact O-N 2.98Å; V391-N395 VanDerWaalsContact O-CB 3.3Å; V391-N395 WeakPolarHBondContact O-CB 3.36Å; V391-F453 HydrophobicContact CG2-CE1 4.45Å; V391-F453 HydrophobicContact CG2-CZ 3.9Å; V391-Y472 HydrophobicContact CG1-CE2 4.23Å; V391-Y472 HydrophobicContact CG2-CE2 4.21Å
392S91Very high93.5Very high47 Ų4718.1 Ų18.133%0.32910%0.098SC..Iπ-helixtrans-74-33.4-175.962.40000113.6I388 S389I388-S392 WeakPolarHBondContact O-CB 3.35Å; I388-S392 PolarHBondContact O-N 3.41Å; I388-S392 PolarHBondContact O-OG 3.5Å; I388-S392 VanDerWaalsContact O-OG 3.07Å; S389-S392 WeakPolarHBondContact CA-OG 3.33Å; S389-S392 PolarHBondContact O-N 2.96Å; S389-S392 PolarHBondContact O-OG 3.26Å
393E93.2Very high93Very high14 Ų1418.9 Ų18.97%0.06510%0.1CC..Iπ-helixtrans-99.5-44.4-172.5-65.1-76.2-173.800112.2N33 S50 N54 R240 S389N33-E393 WeakPolarHBondContact CB-O 3.46Å; N33-E393 VanDerWaalsContact ND2-C 3.35Å; N33-E393 WeakPolarHBondContact ND2-CB 3.42Å; N33-E393 PolarHBondContact ND2-O 3.48Å; N33-E393 PolarHBondContact ND2-OE2 2.94Å; N33-E393 PolarHBondContact OD1-OE2 2.93Å; S50-E393 PolarHBondContact OG-OE1 3.23Å; N54-E393 PolarHBondContact ND2-OE1 2.7Å; N54-E393 VanDerWaalsContact ND2-OE1 3.14Å; R240-E393 IonicContact CZ-OE2 3.47Å; R240-E393 IonicContact NH2-OE1 3.55Å; R240-E393 PolarHBondContact NH2-OE1 3.2Å; R240-E393 IonicContact NH2-OE2 2.69Å; R240-E393 PolarHBondContact NH2-OE2 3.45Å; S389-E393 WeakPolarHBondContact O-CB 3.37Å; S389-E393 WeakPolarHBondContact O-CG 3.25Å; S389-E393 PolarHBondContact O-N 2.91Å
394Y94.9Very high92.4Very high0 Ų021.4 Ų21.40%011%0.111CC..Iπ-helixtrans-112.3-24.1-165.7-72.7-78.4000114.6S43 G47 F390 Y396 L397 I398 G522 W525 G526 L529S43-Y394 PolarHBondContact O-OH 3.24Å; G47-Y394 WeakPolarHBondContact CA-OH 3.17Å; G47-Y394 PolarHBondContact N-OH 2.89Å; G47-Y394 VanDerWaalsContact N-OH 3.11Å; F390-Y394 WeakPolarHBondContact O-CA 3.28Å; F390-Y394 PolarHBondContact O-N 3.46Å; Y394-Y396 PolarHBondContact O-N 3.06Å; Y394-L397 HydrophobicContact CD1-CD2 3.86Å; Y394-L397 HydrophobicContact CE1-CD2 4.15Å; Y394-L397 WeakPolarHBondContact O-CB 3.2Å; Y394-L397 PolarHBondContact O-N 3.12Å; Y394-I398 WeakPolarHBondContact O-CB 3.32Å; Y394-I398 VanDerWaalsContact O-CG1 3.31Å; Y394-I398 WeakPolarHBondContact O-CG1 3.25Å; Y394-I398 PolarHBondContact O-N 3.41Å; Y394-G522 VanDerWaalsContact CE2-O 3.24Å; Y394-G522 WeakPolarHBondContact CE2-O 3.48Å; Y394-G522 PolarHBondContact OH-O 3.42Å; Y394-W525 HydrophobicContact CD2-CB 3.53Å; Y394-W525 HydrophobicContact CE2-CB 3.74Å; Y394-W525 HydrophobicContact CG-CB 4.28Å; Y394-G526 WeakPolarHBondContact OH-CA 3.49Å; Y394-G526 PolarHBondContact OH-N 3.41Å; Y394-L529 HydrophobicContact CD1-CD2 3.68Å; Y394-L529 HydrophobicContact CE1-CD2 4.08Å
395N94.6Very high92Very high4 Ų421.7 Ų21.72%0.02111%0.113CC..Iπ-helixtrans-59.8-49.8-176.9-170.437.7000112F390 V391 L397 I398 L399 Y456 Y538F390-N395 PolarHBondContact O-N 3.32Å; V391-N395 VanDerWaalsContact O-CB 3.3Å; V391-N395 WeakPolarHBondContact O-CB 3.36Å; N395-L397 VanDerWaalsContact C-N 3.35Å; N395-L397 PolarHBondContact O-N 3.03Å; N395-I398 PolarHBondContact O-N 3.27Å; N395-L399 WeakPolarHBondContact O-CB 3.24Å; N395-L399 VanDerWaalsContact O-CG 3.27Å; N395-L399 WeakPolarHBondContact O-CG 3.34Å; N395-L399 PolarHBondContact O-N 3.49Å; N395-Y456 PolarHBondContact ND2-OH 2.99Å; N395-Y456 WeakPolarHBondContact OD1-CE1 3.39Å; N395-Y538 WeakPolarHBondContact OD1-CE1 3.43Å; N395-Y538 PolarHBondContact OD1-OH 3.37Å
396Y93.8Very high91.7Very high9 Ų923.2 Ų23.24%0.03512%0.123CC..Hα-helixtrans-65.2-37.7177.5-90.1-124000112.7I30 Y31 Y394 T400 L410 T414I30-Y396 HydrophobicContact CB-CE1 4.47Å; I30-Y396 HydrophobicContact CG2-CD1 3.54Å; I30-Y396 HydrophobicContact CG2-CD2 3.46Å; I30-Y396 VanDerWaalsContact CG2-CD2 3.46Å; I30-Y396 HydrophobicContact CG2-CE1 3.55Å; I30-Y396 HydrophobicContact CG2-CE2 3.49Å; I30-Y396 VanDerWaalsContact CG2-CE2 3.49Å; I30-Y396 HydrophobicContact CG2-CG 3.5Å; I30-Y396 VanDerWaalsContact CG2-CG 3.5Å; Y31-Y396 HydrophobicContact CD1-CD1 4.17Å; Y31-Y396 AromaticContact CE1-CD1 3.88Å; Y31-Y396 HydrophobicContact CE1-CD1 3.88Å; Y31-Y396 AromaticContact CE1-CE1 4Å; Y31-Y396 HydrophobicContact CE1-CE1 4Å; Y31-Y396 HydrophobicContact CE2-CD1 4.46Å; Y31-Y396 HydrophobicContact CE2-CE1 4.04Å; Y31-Y396 AromaticContact CZ-CE1 3.7Å; Y394-Y396 PolarHBondContact O-N 3.06Å; Y396-T400 WeakPolarHBondContact O-CB 3.32Å; Y396-T400 VanDerWaalsContact O-CG2 3.31Å; Y396-T400 WeakPolarHBondContact O-CG2 3.23Å; Y396-T400 PolarHBondContact O-N 3.5Å; Y396-T400 PolarHBondContact O-OG1 3.46Å; Y396-L410 HydrophobicContact CD1-CB 4.23Å; Y396-L410 HydrophobicContact CD1-CD1 4.11Å; Y396-L410 HydrophobicContact CE1-CB 3.66Å; Y396-L410 HydrophobicContact CE1-CD1 4.35Å; Y396-L410 HydrophobicContact CE1-CG 4.45Å; Y396-L410 PolarHBondContact OH-O 3.32Å; Y396-T414 HydrophobicContact CE2-CG2 4.11Å; Y396-T414 WeakPolarHBondContact OH-CG2 3.48Å; Y396-T414 PolarHBondContact OH-OG1 3.49Å
397L93.4Very high91.4Very high6 Ų623.3 Ų23.33%0.03112%0.123CC..Hα-helixtrans-58.9-53.4174.5179.471.2000110.1N33 A37 L46 Y394 N395 L399 T400 T401 L529N33-L397 HydrophobicContact CB-CB 4.32Å; A37-L397 HydrophobicContact CB-CD1 3.66Å; L46-L397 HydrophobicContact CD1-CD1 4.24Å; L46-L397 HydrophobicContact CD1-CD2 3.59Å; Y394-L397 HydrophobicContact CD1-CD2 3.86Å; Y394-L397 HydrophobicContact CE1-CD2 4.15Å; Y394-L397 WeakPolarHBondContact O-CB 3.2Å; Y394-L397 PolarHBondContact O-N 3.12Å; N395-L397 VanDerWaalsContact C-N 3.35Å; N395-L397 PolarHBondContact O-N 3.03Å; L397-L399 PolarHBondContact O-N 3.09Å; L397-T400 PolarHBondContact O-N 2.95Å; L397-T400 PolarHBondContact O-OG1 2.98Å; L397-T401 HydrophobicContact CD1-CG2 3.72Å; L397-T401 HydrophobicContact CG-CG2 4.44Å; L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 WeakPolarHBondContact O-CG2 3.38Å; L397-T401 PolarHBondContact O-N 2.93Å; L397-T401 PolarHBondContact O-OG1 3.38Å; L397-L529 HydrophobicContact CD2-CD2 4.03Å
398I93.6Very high91.2Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-61.6-44.8-178.3-70.6169.1000111.3F390 Y394 N395 T400 I402 Y403 L529 A534 Y538F390-I398 HydrophobicContact CE2-CD1 3.97Å; F390-I398 HydrophobicContact CZ-CD1 4.01Å; Y394-I398 WeakPolarHBondContact O-CB 3.32Å; Y394-I398 VanDerWaalsContact O-CG1 3.31Å; Y394-I398 WeakPolarHBondContact O-CG1 3.25Å; Y394-I398 PolarHBondContact O-N 3.41Å; N395-I398 PolarHBondContact O-N 3.27Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 3.34Å; I398-I402 HydrophobicContact CG1-CD1 4.38Å; I398-I402 HydrophobicContact CG2-CD1 4.42Å; I398-I402 WeakPolarHBondContact O-CB 3.4Å; I398-I402 PolarHBondContact O-N 3.16Å; I398-Y403 HydrophobicContact CG2-CD2 3.74Å; I398-Y403 HydrophobicContact CG2-CE2 3.5Å; I398-Y403 VanDerWaalsContact CG2-CE2 3.5Å; I398-Y403 PolarHBondContact O-N 3.47Å; I398-L529 HydrophobicContact CD1-CD1 4.07Å; I398-L529 HydrophobicContact CD1-CD2 4.49Å; I398-L529 HydrophobicContact CG1-CD1 4.1Å; I398-L529 HydrophobicContact CG1-CD2 4.19Å; I398-A534 HydrophobicContact CG2-CB 3.56Å; I398-Y538 HydrophobicContact CG2-CE2 3.69Å; I398-Y538 WeakPolarHBondContact CG2-OH 3.26Å
399L92.5Very high91.2Very high3 Ų325.3 Ų25.32%0.01613%0.13CC..Hα-helixtrans-64-37.9179.5-68.8171.6000112.3N395 L397 Y403 H404 V405 L410 L413 Y456 L465N395-L399 WeakPolarHBondContact O-CB 3.24Å; N395-L399 VanDerWaalsContact O-CG 3.27Å; N395-L399 WeakPolarHBondContact O-CG 3.34Å; N395-L399 PolarHBondContact O-N 3.49Å; L397-L399 PolarHBondContact O-N 3.09Å; L399-Y403 HydrophobicContact CD2-CD2 4.31Å; L399-Y403 CarbonylContact O-C 3.47Å; L399-H404 PolarHBondContact O-N 3.22Å; L399-H404 VanDerWaalsContact O-N 3.12Å; L399-V405 HydrophobicContact CB-CB 4.3Å; L399-V405 HydrophobicContact CB-CG2 4.26Å; L399-V405 HydrophobicContact CD2-CG2 4.08Å; L399-V405 WeakPolarHBondContact O-CB 3.28Å; L399-V405 PolarHBondContact O-N 3.23Å; L399-L410 HydrophobicContact CB-CD2 3.7Å; L399-L410 HydrophobicContact CD1-CD2 3.62Å; L399-L410 HydrophobicContact CG-CD2 4.32Å; L399-L413 HydrophobicContact CD1-CD1 3.99Å; L399-Y456 HydrophobicContact CD1-CE1 4.16Å; L399-Y456 HydrophobicContact CD2-CE1 4.2Å; L399-L465 HydrophobicContact CD2-CD1 3.76Å
400T88.9Confident91.1Very high12 Ų1225.3 Ų25.37%0.07413%0.13CC..Hα-helixtrans-78.8-47.2179.750.80000113.3Y396 L397 I398 H404 L410Y396-T400 WeakPolarHBondContact O-CB 3.32Å; Y396-T400 VanDerWaalsContact O-CG2 3.31Å; Y396-T400 WeakPolarHBondContact O-CG2 3.23Å; Y396-T400 PolarHBondContact O-N 3.5Å; Y396-T400 PolarHBondContact O-OG1 3.46Å; L397-T400 PolarHBondContact O-N 2.95Å; L397-T400 PolarHBondContact O-OG1 2.98Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 3.34Å; T400-H404 WeakPolarHBondContact O-CA 3.49Å; T400-L410 HydrophobicContact CG2-CD1 3.26Å
401T85.5Confident91Very high61 Ų6125.3 Ų25.337%0.37413%0.13SC..Hα-helixtrans-88.1-30.7-17064.10000113.6L397 H404L397-T401 HydrophobicContact CD1-CG2 3.72Å; L397-T401 HydrophobicContact CG-CG2 4.44Å; L397-T401 WeakPolarHBondContact O-CB 3.3Å; L397-T401 WeakPolarHBondContact O-CG2 3.38Å; L397-T401 PolarHBondContact O-N 2.93Å; L397-T401 PolarHBondContact O-OG1 3.38Å; T401-H404 PolarHBondContact O-CE1 3.34Å
402I85.8Confident91.1Very high79 Ų7927 Ų2741%0.40514%0.138SC..THydrogen-bonded Turntrans-105.9-44.6-174.5-60.1172.4000111.3I398 L529 A534I398-I402 HydrophobicContact CG1-CD1 4.38Å; I398-I402 HydrophobicContact CG2-CD1 4.42Å; I398-I402 WeakPolarHBondContact O-CB 3.4Å; I398-I402 PolarHBondContact O-N 3.16Å; I402-L529 HydrophobicContact CD1-CD1 4.29Å; I402-A534 HydrophobicContact CD1-CB 3.76Å; I402-A534 HydrophobicContact CG2-CB 4.02Å
403Y86.6Confident91.3Very high74 Ų7424.8 Ų24.829%0.2912%0.123SC..SBendtrans-93-5.4179.7-65.8-73.2000114I398 L399 V405 A534 R535 Y538I398-Y403 HydrophobicContact CG2-CD2 3.74Å; I398-Y403 HydrophobicContact CG2-CE2 3.5Å; I398-Y403 VanDerWaalsContact CG2-CE2 3.5Å; I398-Y403 PolarHBondContact O-N 3.47Å; L399-Y403 HydrophobicContact CD2-CD2 4.31Å; L399-Y403 CarbonylContact O-C 3.47Å; Y403-V405 PolarHBondContact O-N 3.34Å; Y403-V405 VanDerWaalsContact O-N 3.11Å; Y403-A534 HydrophobicContact CE2-CB 3.93Å; Y403-R535 WeakPolarHBondContact OH-CG 3.42Å; Y403-Y538 AromaticContact CE2-CE2 3.9Å; Y403-Y538 HydrophobicContact CE2-CE2 3.9Å
404H82.9Confident91.3Very high91 Ų9124.9 Ų24.942%0.42112%0.124SC..  trans49.837179.7-55.9-57.8000113.5L399 T400 T401L399-H404 PolarHBondContact O-N 3.22Å; L399-H404 VanDerWaalsContact O-N 3.12Å; T400-H404 WeakPolarHBondContact O-CA 3.49Å; T401-H404 PolarHBondContact O-CE1 3.34Å
405V88.8Confident91.3Very high6 Ų625.7 Ų25.74%0.03613%0.129CC..  trans-68132.6179.4176.90000109.4L399 Y403 F409 L410L399-V405 HydrophobicContact CB-CB 4.3Å; L399-V405 HydrophobicContact CB-CG2 4.26Å; L399-V405 HydrophobicContact CD2-CG2 4.08Å; L399-V405 WeakPolarHBondContact O-CB 3.28Å; L399-V405 PolarHBondContact O-N 3.23Å; Y403-V405 PolarHBondContact O-N 3.34Å; Y403-V405 VanDerWaalsContact O-N 3.11Å; V405-F409 HydrophobicContact CG1-CB 4.05Å; V405-F409 HydrophobicContact CG1-CD1 3.53Å; V405-F409 HydrophobicContact CG1-CE1 4.44Å; V405-F409 HydrophobicContact CG1-CG 4.16Å; V405-L410 HydrophobicContact CB-CD2 4.46Å; V405-L410 HydrophobicContact CG1-CD2 4.1Å; V405-L410 HydrophobicContact CG1-CG 4.44Å
406P88.9Confident91.3Very high33 Ų3326.8 Ų26.821%0.21414%0.136CC..  trans-58.8140.2179-22.431.3000112.8Y408 F409 L410P406-Y408 VanDerWaalsContact C-N 3.3Å; P406-Y408 HydrophobicContact CB-CD1 3.55Å; P406-Y408 HydrophobicContact CB-CE1 3.21Å; P406-Y408 HydrophobicContact CB-CG 4.42Å; P406-Y408 HydrophobicContact CG-CE1 3.84Å; P406-Y408 PolarHBondContact O-N 3.5Å; P406-F409 WeakPolarHBondContact O-CB 3.35Å; P406-F409 PolarHBondContact O-N 3.14Å; P406-L410 PolarHBondContact O-N 2.96Å
407H90.6Very high91.3Very high20 Ų2026.6 Ų26.69%0.09314%0.136CC..Hα-helixtrans-62.4-32.2-176.8-62.174.7000114.3G289 V292 P326 Y328 F409 L410 G411G289-H407 WeakPolarHBondContact CA-O 3.41Å; G289-H407 CarbonylContact O-C 3.34Å; G289-H407 WeakPolarHBondContact O-CB 3.41Å; V292-H407 HydrophobicContact CB-CB 3.9Å; V292-H407 HydrophobicContact CG1-CB 3.85Å; V292-H407 VanDerWaalsContact CG1-CD2 3.47Å; V292-H407 WeakPolarHBondContact CG1-CD2 3.43Å; V292-H407 VanDerWaalsContact CG1-CG 3.43Å; P326-H407 WeakPolarHBondContact CB-CE1 3.18Å; Y328-H407 AromaticContact CE1-CD2 3.66Å; Y328-H407 AromaticContact CE1-NE2 3.41Å; Y328-H407 WeakPolarHBondContact CE1-NE2 3.43Å; Y328-H407 AromaticContact CZ-NE2 3.5Å; Y328-H407 PolarHBondContact OH-NE2 2.76Å; H407-F409 PolarHBondContact O-N 3.14Å; H407-L410 WeakPolarHBondContact O-CB 3.46Å; H407-L410 PolarHBondContact O-N 2.98Å; H407-G411 PolarHBondContact O-N 2.99Å
408Y91.9Very high91.3Very high53 Ų5326.8 Ų26.821%0.20814%0.137CC..Hα-helixtrans-60.7-34.6174.273.2-99.7000111.4G289 Y293 P406 G411 L412G289-Y408 PolarHBondContact O-N 2.87Å; Y293-Y408 AromaticContact CD1-CD1 3.99Å; Y293-Y408 HydrophobicContact CD1-CD1 3.99Å; Y293-Y408 AromaticContact CD2-CD1 3.7Å; Y293-Y408 HydrophobicContact CD2-CD1 3.7Å; Y293-Y408 HydrophobicContact CD2-CE1 4.21Å; Y293-Y408 HydrophobicContact CE1-CD1 4.21Å; Y293-Y408 AromaticContact CE2-CD1 3.93Å; Y293-Y408 HydrophobicContact CE2-CD1 3.93Å; Y293-Y408 AromaticContact CE2-CE1 3.99Å; Y293-Y408 HydrophobicContact CE2-CE1 3.99Å; Y293-Y408 AromaticContact CG-CD1 3.72Å; Y293-Y408 HydrophobicContact CG-CD1 3.72Å; P406-Y408 VanDerWaalsContact C-N 3.3Å; P406-Y408 HydrophobicContact CB-CD1 3.55Å; P406-Y408 HydrophobicContact CB-CE1 3.21Å; P406-Y408 HydrophobicContact CB-CG 4.42Å; P406-Y408 HydrophobicContact CG-CE1 3.84Å; P406-Y408 PolarHBondContact O-N 3.5Å; Y408-G411 PolarHBondContact O-N 2.97Å; Y408-L412 PolarHBondContact O-N 3.16Å
409F93.8Very high91.3Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-73.2-33.1180-172.2-94.4000111.5V405 P406 H407 G411 L412 L413 Y462 W463 L466V405-F409 HydrophobicContact CG1-CB 4.05Å; V405-F409 HydrophobicContact CG1-CD1 3.53Å; V405-F409 HydrophobicContact CG1-CE1 4.44Å; V405-F409 HydrophobicContact CG1-CG 4.16Å; P406-F409 WeakPolarHBondContact O-CB 3.35Å; P406-F409 PolarHBondContact O-N 3.14Å; H407-F409 PolarHBondContact O-N 3.14Å; F409-G411 VanDerWaalsContact C-N 3.35Å; F409-L412 HydrophobicContact CD2-CD2 4.11Å; F409-L412 HydrophobicContact CE2-CD2 4.2Å; F409-L412 CarbonylContact O-C 3.58Å; F409-L412 WeakPolarHBondContact O-CB 3.28Å; F409-L412 PolarHBondContact O-N 3.4Å; F409-L412 VanDerWaalsContact O-N 3.14Å; F409-L413 HydrophobicContact CD1-CD1 3.82Å; F409-L413 HydrophobicContact CD1-CG 3.89Å; F409-L413 HydrophobicContact CE1-CD1 3.64Å; F409-L413 HydrophobicContact CE1-CD2 3.7Å; F409-L413 HydrophobicContact CE1-CG 3.54Å; F409-L413 HydrophobicContact CZ-CD2 4.05Å; F409-L413 HydrophobicContact CZ-CG 4.2Å; F409-L413 WeakPolarHBondContact O-CG 3.42Å; F409-L413 PolarHBondContact O-N 2.64Å; F409-Y462 AromaticContact CD1-CD2 3.71Å; F409-Y462 HydrophobicContact CD1-CD2 3.71Å; F409-Y462 HydrophobicContact CD1-CE2 4.34Å; F409-Y462 AromaticContact CD2-CD2 3.89Å; F409-Y462 HydrophobicContact CD2-CD2 3.89Å; F409-Y462 AromaticContact CD2-CE2 3.86Å; F409-Y462 HydrophobicContact CD2-CE2 3.86Å; F409-Y462 AromaticContact CE1-CD2 3.56Å; F409-Y462 HydrophobicContact CE1-CD2 3.56Å; F409-Y462 HydrophobicContact CE1-CE2 4.47Å; F409-Y462 HydrophobicContact CE1-CG 4.3Å; F409-Y462 VanDerWaalsContact CE1-O 3.3Å; F409-Y462 WeakPolarHBondContact CE1-O 3.34Å; F409-Y462 AromaticContact CE2-CD2 3.77Å; F409-Y462 HydrophobicContact CE2-CD2 3.77Å; F409-Y462 HydrophobicContact CE2-CE2 4.03Å; F409-Y462 AromaticContact CG-CD2 3.87Å; F409-Y462 HydrophobicContact CG-CD2 3.87Å; F409-Y462 HydrophobicContact CG-CE2 4.03Å; F409-Y462 AromaticContact CZ-CD2 3.62Å; F409-Y462 HydrophobicContact CZ-CD2 3.62Å; F409-Y462 HydrophobicContact CZ-CE2 4.34Å; F409-Y462 WeakPolarHBondContact CZ-O 3.39Å; F409-W463 HydrophobicContact CD2-CE3 4.46Å; F409-W463 HydrophobicContact CD2-CH2 4.31Å; F409-W463 HydrophobicContact CD2-CZ2 4.43Å; F409-W463 HydrophobicContact CD2-CZ3 4.33Å; F409-W463 AromaticContact CE2-CD2 3.83Å; F409-W463 HydrophobicContact CE2-CD2 3.83Å; F409-W463 AromaticContact CE2-CE3 3.63Å; F409-W463 HydrophobicContact CE2-CE3 3.63Å; F409-W463 HydrophobicContact CE2-CG 4.43Å; F409-W463 HydrophobicContact CE2-CH2 4.25Å; F409-W463 HydrophobicContact CE2-CZ2 4.44Å; F409-W463 AromaticContact CE2-CZ3 3.85Å; F409-W463 HydrophobicContact CE2-CZ3 3.85Å; F409-W463 HydrophobicContact CZ-CE3 4.49Å; F409-L466 HydrophobicContact CE2-CD1 4.04Å; F409-L466 HydrophobicContact CE2-CD2 4.38Å; F409-L466 HydrophobicContact CE2-CG 4.16Å; F409-L466 HydrophobicContact CZ-CD1 4.19Å; F409-L466 HydrophobicContact CZ-CD2 4.18Å; F409-L466 HydrophobicContact CZ-CG 3.85Å
410L93.2Very high91.4Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-62.4-43.3171.5-59173.3000111.5Y31 Y396 L399 T400 V405 P406 H407 L412 L413 T414Y31-L410 HydrophobicContact CE1-CD1 4.35Å; Y396-L410 HydrophobicContact CD1-CB 4.23Å; Y396-L410 HydrophobicContact CD1-CD1 4.11Å; Y396-L410 HydrophobicContact CE1-CB 3.66Å; Y396-L410 HydrophobicContact CE1-CD1 4.35Å; Y396-L410 HydrophobicContact CE1-CG 4.45Å; Y396-L410 PolarHBondContact OH-O 3.32Å; L399-L410 HydrophobicContact CB-CD2 3.7Å; L399-L410 HydrophobicContact CD1-CD2 3.62Å; L399-L410 HydrophobicContact CG-CD2 4.32Å; T400-L410 HydrophobicContact CG2-CD1 3.26Å; V405-L410 HydrophobicContact CB-CD2 4.46Å; V405-L410 HydrophobicContact CG1-CD2 4.1Å; V405-L410 HydrophobicContact CG1-CG 4.44Å; P406-L410 PolarHBondContact O-N 2.96Å; H407-L410 WeakPolarHBondContact O-CB 3.46Å; H407-L410 PolarHBondContact O-N 2.98Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 2.93Å; L410-L413 HydrophobicContact CD2-CD1 4.23Å; L410-L413 PolarHBondContact O-N 2.71Å; L410-T414 PolarHBondContact O-N 3.11Å; L410-T414 PolarHBondContact O-OG1 3.47Å
411G93.8Very high91.5Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-60.1-37.9171.600000112.4S285 H407 Y408 F409 T414 T415S285-G411 WeakPolarHBondContact O-CA 3.46Å; H407-G411 PolarHBondContact O-N 2.99Å; Y408-G411 PolarHBondContact O-N 2.97Å; F409-G411 VanDerWaalsContact C-N 3.35Å; G411-T414 PolarHBondContact O-OG1 3.47Å; G411-T414 VanDerWaalsContact O-OG1 3.13Å; G411-T415 VanDerWaalsContact O-CB 3.25Å; G411-T415 WeakPolarHBondContact O-CB 3.29Å; G411-T415 PolarHBondContact O-N 2.89Å; G411-T415 PolarHBondContact O-OG1 3.23Å
412L94.6Very high91.6Very high54 Ų5431.2 Ų31.228%0.28316%0.161SC..Hα-helixtrans-67.7-40.1176-174.864.8000112.9Y408 F409 L410 T415 T416 W463 L466Y408-L412 PolarHBondContact O-N 3.16Å; F409-L412 HydrophobicContact CD2-CD2 4.11Å; F409-L412 HydrophobicContact CE2-CD2 4.2Å; F409-L412 CarbonylContact O-C 3.58Å; F409-L412 WeakPolarHBondContact O-CB 3.28Å; F409-L412 PolarHBondContact O-N 3.4Å; F409-L412 VanDerWaalsContact O-N 3.14Å; L410-L412 VanDerWaalsContact C-N 3.27Å; L410-L412 PolarHBondContact O-N 2.93Å; L412-T415 PolarHBondContact O-N 3.36Å; L412-T416 WeakPolarHBondContact O-CB 3.24Å; L412-T416 PolarHBondContact O-N 3.38Å; L412-T416 PolarHBondContact O-OG1 3.18Å; L412-W463 HydrophobicContact CD2-CH2 4.46Å; L412-W463 HydrophobicContact CD2-CZ3 4.1Å; L412-L466 HydrophobicContact CD2-CD1 4.46Å; L412-L466 HydrophobicContact CD2-CD2 4.35Å; L412-L466 HydrophobicContact CG-CD2 4.09Å
413L95.2Very high91.7Very high2 Ų230.3 Ų30.31%0.0116%0.161CC..Hα-helixtrans-57-54176.8-79170.4000111L399 F409 L410 T415 T416 A417 L465 L466 E469L399-L413 HydrophobicContact CD1-CD1 3.99Å; F409-L413 HydrophobicContact CD1-CD1 3.82Å; F409-L413 HydrophobicContact CD1-CG 3.89Å; F409-L413 HydrophobicContact CE1-CD1 3.64Å; F409-L413 HydrophobicContact CE1-CD2 3.7Å; F409-L413 HydrophobicContact CE1-CG 3.54Å; F409-L413 HydrophobicContact CZ-CD2 4.05Å; F409-L413 HydrophobicContact CZ-CG 4.2Å; F409-L413 WeakPolarHBondContact O-CG 3.42Å; F409-L413 PolarHBondContact O-N 2.64Å; L410-L413 HydrophobicContact CD2-CD1 4.23Å; L410-L413 PolarHBondContact O-N 2.71Å; L413-T415 PolarHBondContact O-N 3.48Å; L413-T416 WeakPolarHBondContact O-CB 3.46Å; L413-T416 PolarHBondContact O-N 3.44Å; L413-A417 PolarHBondContact O-N 2.96Å; L413-A417 VanDerWaalsContact O-N 3.08Å; L413-L465 HydrophobicContact CD2-CB 3.73Å; L413-L466 HydrophobicContact CD2-CD2 3.84Å; L413-L466 HydrophobicContact CD2-CG 4.22Å; L413-L466 HydrophobicContact CG-CD2 4.42Å; L413-E469 HydrophobicContact CB-CG 3.94Å; L413-E469 HydrophobicContact CD2-CG 3.52Å; L413-E469 HydrophobicContact CG-CG 4.3Å
414T93.5Very high91.7Very high15 Ų1527.3 Ų27.39%0.09215%0.15CC..Hα-helixtrans-63.9-41.1177.332.60000112.4I30 F281 S285 Y396 L410 G411 T416 A417 I418I30-T414 HydrophobicContact CD1-CG2 4.23Å; F281-T414 HydrophobicContact CE1-CG2 4.32Å; S285-T414 VanDerWaalsContact CB-OG1 3.22Å; S285-T414 WeakPolarHBondContact CB-OG1 3.43Å; S285-T414 PolarHBondContact OG-OG1 2.88Å; Y396-T414 HydrophobicContact CE2-CG2 4.11Å; Y396-T414 WeakPolarHBondContact OH-CG2 3.48Å; Y396-T414 PolarHBondContact OH-OG1 3.49Å; L410-T414 PolarHBondContact O-N 3.11Å; L410-T414 PolarHBondContact O-OG1 3.47Å; G411-T414 PolarHBondContact O-OG1 3.47Å; G411-T414 VanDerWaalsContact O-OG1 3.13Å; T414-T416 PolarHBondContact O-N 3.48Å; T414-A417 PolarHBondContact O-N 3.05Å; T414-I418 WeakPolarHBondContact O-CG1 3.22Å; T414-I418 PolarHBondContact O-N 3.46Å
415T94.6Very high91.6Very high17 Ų1724.8 Ų24.810%0.10414%0.139CC..Hα-helixtrans-58.4-40.3175.1-64.50000111.7M282 G411 L412 L413 I418 T419M282-T415 HydrophobicContact CG-CG2 3.73Å; M282-T415 HydrophobicContact SD-CG2 4.2Å; G411-T415 VanDerWaalsContact O-CB 3.25Å; G411-T415 WeakPolarHBondContact O-CB 3.29Å; G411-T415 PolarHBondContact O-N 2.89Å; G411-T415 PolarHBondContact O-OG1 3.23Å; L412-T415 PolarHBondContact O-N 3.36Å; L413-T415 PolarHBondContact O-N 3.48Å; T415-I418 PolarHBondContact O-N 3.43Å; T415-T419 WeakPolarHBondContact O-CB 3.43Å; T415-T419 PolarHBondContact O-N 3.42Å; T415-T419 PolarHBondContact O-OG1 3.49Å
416T95Very high91.1Very high28 Ų2827.6 Ų27.617%0.17216%0.156CC..Hα-helixtrans-64.4-46.3178.2-58.30000111L412 L413 T414 I418 T419 V420 L466 I470L412-T416 WeakPolarHBondContact O-CB 3.24Å; L412-T416 PolarHBondContact O-N 3.38Å; L412-T416 PolarHBondContact O-OG1 3.18Å; L413-T416 WeakPolarHBondContact O-CB 3.46Å; L413-T416 PolarHBondContact O-N 3.44Å; T414-T416 PolarHBondContact O-N 3.48Å; T416-I418 PolarHBondContact O-N 2.89Å; T416-T419 PolarHBondContact O-N 2.94Å; T416-V420 PolarHBondContact O-N 2.9Å; T416-L466 HydrophobicContact CG2-CD2 4.32Å; T416-L466 WeakPolarHBondContact OG1-CD2 3.19Å; T416-I470 HydrophobicContact CG2-CD1 4.35Å; T416-I470 HydrophobicContact CG2-CG1 3.74Å
417A94.6Very high90.7Very high4 Ų432.8 Ų32.83%0.03318%0.176CC..Hα-helixtrans-58.3-49.1175.500000111.8L413 T414 T419 V420 E421 E469 Y472L413-A417 PolarHBondContact O-N 2.96Å; L413-A417 VanDerWaalsContact O-N 3.08Å; T414-A417 PolarHBondContact O-N 3.05Å; A417-T419 PolarHBondContact O-N 3.45Å; A417-V420 PolarHBondContact O-N 2.91Å; A417-E421 WeakPolarHBondContact O-CB 3.43Å; A417-E421 PolarHBondContact O-N 3.16Å; A417-E469 HydrophobicContact CB-CB 4.27Å; A417-Y472 HydrophobicContact CB-CD1 4.25Å
418I93.7Very high90.2Very high10 Ų1034.9 Ų34.95%0.05119%0.19CC..Hα-helixtrans-68.7-34.9-177.4-59.8-57.1000112.7S278 F281 M282 T414 T415 T416 V420 E421 I422S278-I418 WeakPolarHBondContact O-CG2 3.38Å; F281-I418 HydrophobicContact CD1-CD1 4.04Å; F281-I418 HydrophobicContact CD1-CG1 3.97Å; F281-I418 HydrophobicContact CE1-CD1 4.49Å; M282-I418 HydrophobicContact CB-CB 4.12Å; M282-I418 HydrophobicContact CB-CG2 3.83Å; M282-I418 HydrophobicContact CG-CB 4.43Å; M282-I418 HydrophobicContact CG-CG2 4.44Å; T414-I418 WeakPolarHBondContact O-CG1 3.22Å; T414-I418 PolarHBondContact O-N 3.46Å; T415-I418 PolarHBondContact O-N 3.43Å; T416-I418 PolarHBondContact O-N 2.89Å; I418-V420 PolarHBondContact O-N 2.67Å; I418-E421 WeakPolarHBondContact CD1-OE2 3.21Å; I418-E421 WeakPolarHBondContact O-CB 3.31Å; I418-E421 PolarHBondContact O-N 2.94Å; I418-E421 VanDerWaalsContact O-N 3.15Å; I418-I422 HydrophobicContact CG2-CD1 3.84Å; I418-I422 HydrophobicContact CG2-CG1 4.07Å; I418-I422 PolarHBondContact O-N 3.37Å
419T93.1Very high89.6Confident76 Ų7632.4 Ų32.447%0.46618%0.18SC..Hα-helixtrans-59.3-33.9176.7-61.30000111.3T415 T416 A417 P423T415-T419 WeakPolarHBondContact O-CB 3.43Å; T415-T419 PolarHBondContact O-N 3.42Å; T415-T419 PolarHBondContact O-OG1 3.49Å; T416-T419 PolarHBondContact O-N 2.94Å; A417-T419 PolarHBondContact O-N 3.45Å; T419-P423 WeakPolarHBondContact O-CD 3.23Å; T419-P423 WeakPolarHBondContact O-CG 3.35Å
420V93.4Very high88.6Confident38 Ų3834.5 Ų34.523%0.2320%0.202CC..Hα-helixtrans-87.1-32175.4-176.70000111.9T416 A417 I418 P423 T424 I470 I474T416-V420 PolarHBondContact O-N 2.9Å; A417-V420 PolarHBondContact O-N 2.91Å; I418-V420 PolarHBondContact O-N 2.67Å; V420-P423 WeakPolarHBondContact O-CD 3.4Å; V420-T424 WeakPolarHBondContact O-CB 3.46Å; V420-T424 PolarHBondContact O-N 3.01Å; V420-T424 PolarHBondContact O-OG1 2.94Å; V420-I470 HydrophobicContact CG1-CG2 4.44Å; V420-I470 HydrophobicContact CG2-CG1 4.23Å; V420-I470 HydrophobicContact CG2-CG2 4.27Å; V420-I474 HydrophobicContact CG1-CD1 4.02Å; V420-I474 HydrophobicContact CG1-CG1 3.38Å
421E91.4Very high88Confident14 Ų1440.4 Ų40.47%0.06523%0.233CC..Hα-helixtrans-58-50177.1-169.3-170.2112.800111.8S278 A417 I418 T424 L425 G473 P477S278-E421 PolarHBondContact OG-OE1 3.29Å; A417-E421 WeakPolarHBondContact O-CB 3.43Å; A417-E421 PolarHBondContact O-N 3.16Å; I418-E421 WeakPolarHBondContact CD1-OE2 3.21Å; I418-E421 WeakPolarHBondContact O-CB 3.31Å; I418-E421 PolarHBondContact O-N 2.94Å; I418-E421 VanDerWaalsContact O-N 3.15Å; E421-T424 PolarHBondContact O-N 3.09Å; E421-L425 VanDerWaalsContact O-CB 3.31Å; E421-L425 WeakPolarHBondContact O-CB 3.29Å; E421-L425 PolarHBondContact O-N 3.1Å; E421-G473 WeakPolarHBondContact CA-O 2.96Å; E421-P477 HydrophobicContact CB-CG 4.3Å; E421-P477 HydrophobicContact CG-CG 3.35Å
422I88.7Confident87.4Confident42 Ų4242.1 Ų42.122%0.21524%0.241CC..Hα-helixtrans-60-52-173.3-68.8171000111.8F279 I418 T424 L425 V426F279-I422 HydrophobicContact CB-CD1 4.3Å; I418-I422 HydrophobicContact CG2-CD1 3.84Å; I418-I422 HydrophobicContact CG2-CG1 4.07Å; I418-I422 PolarHBondContact O-N 3.37Å; I422-T424 VanDerWaalsContact C-N 3.34Å; I422-T424 PolarHBondContact O-N 3.26Å; I422-L425 PolarHBondContact O-N 3.34Å; I422-V426 WeakPolarHBondContact O-CG2 3.39Å; I422-V426 PolarHBondContact O-N 3.26Å
423P87.9Confident86.8Confident60 Ų6040 Ų4039%0.3923%0.23SC..Hα-helixtrans-62.3-39174.8-23.434.1000113T419 V420 L425 V426 F427T419-P423 WeakPolarHBondContact O-CD 3.23Å; T419-P423 WeakPolarHBondContact O-CG 3.35Å; V420-P423 WeakPolarHBondContact O-CD 3.4Å; P423-L425 VanDerWaalsContact C-N 3.33Å; P423-L425 PolarHBondContact O-N 2.83Å; P423-V426 PolarHBondContact O-N 3.46Å; P423-F427 HydrophobicContact CB-CD2 4.32Å; P423-F427 WeakPolarHBondContact O-CB 3.49Å; P423-F427 WeakPolarHBondContact O-CD2 3.49Å; P423-F427 PolarHBondContact O-N 3.5Å
424T86Confident86.1Confident11 Ų1148.9 Ų48.97%0.06727%0.269CS..Iπ-helixtrans-63.4-42.3179-57.40000110.9V420 E421 I422 V428 S429 I474 P477 I478V420-T424 WeakPolarHBondContact O-CB 3.46Å; V420-T424 PolarHBondContact O-N 3.01Å; V420-T424 PolarHBondContact O-OG1 2.94Å; E421-T424 PolarHBondContact O-N 3.09Å; I422-T424 VanDerWaalsContact C-N 3.34Å; I422-T424 PolarHBondContact O-N 3.26Å; T424-V428 HydrophobicContact CG2-CB 4.19Å; T424-V428 PolarHBondContact O-N 2.86Å; T424-V428 VanDerWaalsContact O-N 3.16Å; T424-S429 VanDerWaalsContact O-CB 3.32Å; T424-S429 WeakPolarHBondContact O-CB 3.34Å; T424-S429 PolarHBondContact O-N 3.2Å; T424-S429 PolarHBondContact O-OG 2.89Å; T424-S429 VanDerWaalsContact O-OG 3.06Å; T424-I474 HydrophobicContact CG2-CG2 4.13Å; T424-P477 HydrophobicContact CG2-CB 4.2Å; T424-P477 HydrophobicContact CG2-CG 4.4Å; T424-I478 HydrophobicContact CG2-CG1 4.24Å
425L81Confident85.7Confident37 Ų3755 Ų5519%0.19430%0.297CS..Iπ-helixtrans-64.5-43.8177.1-173.3145.8000111.7E421 I422 P423 S429 P477E421-L425 VanDerWaalsContact O-CB 3.31Å; E421-L425 WeakPolarHBondContact O-CB 3.29Å; E421-L425 PolarHBondContact O-N 3.1Å; I422-L425 PolarHBondContact O-N 3.34Å; P423-L425 VanDerWaalsContact C-N 3.33Å; P423-L425 PolarHBondContact O-N 2.83Å; L425-S429 PolarHBondContact O-OG 3.02Å; L425-P477 HydrophobicContact CB-CB 4.01Å; L425-P477 HydrophobicContact CB-CG 4.26Å
426V77.5Confident85.4Confident65 Ų6559.5 Ų59.539%0.39432%0.315SS..Iπ-helixtrans-79.1-40.1-174.5175.10000113I422 P423I422-V426 WeakPolarHBondContact O-CG2 3.39Å; I422-V426 PolarHBondContact O-N 3.26Å; P423-V426 PolarHBondContact O-N 3.46Å
427F81Confident85.1Confident143 Ų14359.2 Ų59.263%0.62732%0.317SS*.Iπ-helixtrans-110.4-42.1-168.8-59.5-71.3000113.8P423 I431P423-F427 HydrophobicContact CB-CD2 4.32Å; P423-F427 WeakPolarHBondContact O-CB 3.49Å; P423-F427 WeakPolarHBondContact O-CD2 3.49Å; P423-F427 PolarHBondContact O-N 3.5Å; F427-I431 WeakPolarHBondContact O-CD1 3.29Å; F427-I431 WeakPolarHBondContact O-CG1 3.45Å
428V80Confident84.9Confident64 Ų6459.4 Ų59.439%0.38832%0.319SS..Iπ-helixtrans-92.5-50.1-165.6-179.50000112T424 G430 I431 L432T424-V428 HydrophobicContact CG2-CB 4.19Å; T424-V428 PolarHBondContact O-N 2.86Å; T424-V428 VanDerWaalsContact O-N 3.16Å; V428-G430 PolarHBondContact O-N 3.31Å; V428-I431 PolarHBondContact O-N 3.49Å; V428-I431 VanDerWaalsContact O-N 3.12Å; V428-L432 HydrophobicContact CG1-CD1 4.22Å; V428-L432 WeakPolarHBondContact O-CB 3.18Å; V428-L432 PolarHBondContact O-N 2.96Å
429S78.7Confident84.8Confident0 Ų061.4 Ų61.40%033%0.329CS..Hα-helixtrans-60.6-42.7-166.758.60000113.1T424 L425 I431 L432 V433 N481T424-S429 VanDerWaalsContact O-CB 3.32Å; T424-S429 WeakPolarHBondContact O-CB 3.34Å; T424-S429 PolarHBondContact O-N 3.2Å; T424-S429 PolarHBondContact O-OG 2.89Å; T424-S429 VanDerWaalsContact O-OG 3.06Å; L425-S429 PolarHBondContact O-OG 3.02Å; S429-I431 PolarHBondContact O-N 3.34Å; S429-L432 PolarHBondContact O-N 3.44Å; S429-V433 WeakPolarHBondContact O-CB 3.43Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 3.44Å; S429-N481 WeakPolarHBondContact CB-ND2 3.33Å; S429-N481 PolarHBondContact OG-ND2 3.44Å
430G74.3Confident84.8Confident45 Ų4561 Ų6146%0.46433%0.327SS..Hα-helixtrans-64.2-39.2176.800000113.3V428 K434V428-G430 PolarHBondContact O-N 3.31Å; G430-K434 WeakPolarHBondContact O-CB 3.39Å; G430-K434 PolarHBondContact O-N 2.98Å; G430-K434 VanDerWaalsContact O-N 3.14Å
431I80.8Confident84.9Confident124 Ų12459.2 Ų59.264%0.63632%0.316SS*.Hα-helixtrans-67.5-47.4177.3-60.7177.3000109.9F427 V428 S429 V433 K434 H435F427-I431 WeakPolarHBondContact O-CD1 3.29Å; F427-I431 WeakPolarHBondContact O-CG1 3.45Å; V428-I431 PolarHBondContact O-N 3.49Å; V428-I431 VanDerWaalsContact O-N 3.12Å; S429-I431 PolarHBondContact O-N 3.34Å; I431-V433 PolarHBondContact O-N 3.32Å; I431-K434 PolarHBondContact O-N 3.16Å; I431-H435 WeakPolarHBondContact O-CB 3.2Å; I431-H435 PolarHBondContact O-N 3.43Å
432L79.5Confident85Confident35 Ų3558.6 Ų58.618%0.18331%0.312CS..Hα-helixtrans-61-46.4-177.5-154.5112.7000111.2V428 S429 H435 F436 I444 I478V428-L432 HydrophobicContact CG1-CD1 4.22Å; V428-L432 WeakPolarHBondContact O-CB 3.18Å; V428-L432 PolarHBondContact O-N 2.96Å; S429-L432 PolarHBondContact O-N 3.44Å; L432-H435 PolarHBondContact O-N 3.12Å; L432-F436 HydrophobicContact CD1-CE2 4.49Å; L432-F436 HydrophobicContact CG-CD2 3.99Å; L432-F436 HydrophobicContact CG-CE2 4.36Å; L432-F436 PolarHBondContact O-N 3.36Å; L432-I444 HydrophobicContact CD2-CD1 4.15Å; L432-I478 HydrophobicContact CD2-CD1 4.09Å; L432-I478 HydrophobicContact CD2-CG1 4.35Å; L432-I478 HydrophobicContact CD2-CG2 3.87Å
433V81.9Confident85.4Confident9 Ų958 Ų586%0.05531%0.311CS..Hα-helixtrans-67.2-37.7179.9170.10000112S429 I431 G437 C441 N481 A482 L485S429-V433 WeakPolarHBondContact O-CB 3.43Å; S429-V433 WeakPolarHBondContact O-CG2 3.32Å; S429-V433 PolarHBondContact O-N 3.44Å; I431-V433 PolarHBondContact O-N 3.32Å; V433-G437 VanDerWaalsContact O-CA 3.29Å; V433-G437 WeakPolarHBondContact O-CA 3.21Å; V433-G437 PolarHBondContact O-N 3.36Å; V433-G437 VanDerWaalsContact O-N 3.11Å; V433-C441 VanDerWaalsContact CA-SG 3.56Å; V433-C441 HydrophobicContact CG2-CB 4.08Å; V433-N481 HydrophobicContact CG2-CB 4.22Å; V433-A482 HydrophobicContact CG2-CB 4.24Å; V433-L485 HydrophobicContact CG1-CB 3.95Å; V433-L485 HydrophobicContact CG1-CD2 3.32Å; V433-L485 HydrophobicContact CG1-CG 4.18Å
434K80.7Confident85.7Confident189 Ų18957.7 Ų57.782%0.82231%0.306SS*.Hα-helixtrans-67.9-35.6175.3-172.3176.2-180179.60112.2G430 I431G430-K434 WeakPolarHBondContact O-CB 3.39Å; G430-K434 PolarHBondContact O-N 2.98Å; G430-K434 VanDerWaalsContact O-N 3.14Å; I431-K434 PolarHBondContact O-N 3.16Å
435H86.2Confident86.2Confident145 Ų14557.2 Ų57.267%0.67130%0.302SS*.Hα-helixtrans-83.6-48.9-175-166.674.8000113.4I431 L432I431-H435 WeakPolarHBondContact O-CB 3.2Å; I431-H435 PolarHBondContact O-N 3.43Å; L432-H435 PolarHBondContact O-N 3.12Å
436F88.9Confident86.9Confident111 Ų11155.4 Ų55.449%0.48729%0.293SS..Hα-helixtrans-96.6-12.9-174.7-64.6-76.8000114L432 V440L432-F436 HydrophobicContact CD1-CE2 4.49Å; L432-F436 HydrophobicContact CG-CD2 3.99Å; L432-F436 HydrophobicContact CG-CE2 4.36Å; L432-F436 PolarHBondContact O-N 3.36Å; F436-V440 HydrophobicContact CB-CB 4.03Å; F436-V440 HydrophobicContact CB-CG1 3.94Å; F436-V440 HydrophobicContact CG-CG1 4.44Å
437G88.1Confident87.8Confident22 Ų2256.2 Ų56.223%0.22729%0.294CS..  trans78.4169-175.400000113.8V433 I439 C441V433-G437 VanDerWaalsContact O-CA 3.29Å; V433-G437 WeakPolarHBondContact O-CA 3.21Å; V433-G437 PolarHBondContact O-N 3.36Å; V433-G437 VanDerWaalsContact O-N 3.11Å; G437-I439 PolarHBondContact O-N 2.91Å; G437-C441 PolarHBondContact O-N 3.5Å; G437-C441 PolarHBondContact O-SG 3.02Å
438A89.6Confident88.6Confident7 Ų750.9 Ų50.96%0.05827%0.272CS..Hα-helixtrans-66.6-40.1-16900000114.2C441 Q442 A482 Q486A438-C441 PolarHBondContact O-N 3.3Å; A438-Q442 VanDerWaalsContact O-CG 3.28Å; A438-Q442 WeakPolarHBondContact O-CG 3.42Å; A438-Q442 PolarHBondContact O-N 2.81Å; A438-A482 HydrophobicContact CB-CB 4.39Å; A438-Q486 HydrophobicContact CB-CG 3.57Å
439I92.1Very high89.4Confident53 Ų5348 Ų4827%0.27225%0.254SS..Hα-helixtrans-66.4-46.6-174.6-57.6168000110.7G437 C441 Q442 V443 P553 A556G437-I439 PolarHBondContact O-N 2.91Å; I439-C441 VanDerWaalsContact C-N 3.29Å; I439-C441 PolarHBondContact O-N 3.31Å; I439-Q442 WeakPolarHBondContact O-CB 3.24Å; I439-Q442 PolarHBondContact O-N 2.95Å; I439-V443 WeakPolarHBondContact O-CG2 3.49Å; I439-V443 PolarHBondContact O-N 3.41Å; I439-V443 VanDerWaalsContact O-N 3.07Å; I439-P553 HydrophobicContact CG2-CB 4.41Å; I439-A556 HydrophobicContact CD1-CB 3.69Å; I439-A556 HydrophobicContact CG1-CB 4.22Å; I439-A556 HydrophobicContact CG2-CB 4.11Å
440V93.6Very high90.2Very high68 Ų6848.7 Ų48.741%0.41226%0.259SS..Hα-helixtrans-62.6-40.3178.3179.20000110.3F436 Q442 V443 I444F436-V440 HydrophobicContact CB-CB 4.03Å; F436-V440 HydrophobicContact CB-CG1 3.94Å; F436-V440 HydrophobicContact CG-CG1 4.44Å; V440-Q442 PolarHBondContact O-N 3.22Å; V440-V443 PolarHBondContact O-N 3.45Å; V440-I444 HydrophobicContact CG1-CD1 3.85Å; V440-I444 HydrophobicContact CG1-CG1 4.34Å; V440-I444 VanDerWaalsContact O-CG1 3.31Å; V440-I444 WeakPolarHBondContact O-CG1 3.38Å; V440-I444 PolarHBondContact O-N 3.47Å
441C94Very high91.3Very high0 Ų049.8 Ų49.80%025%0.253CS..Hα-helixtrans-63.5-38.7175.9-64.80000112.8V433 G437 A438 I439 V443 I444 S445 I478 A482V433-C441 VanDerWaalsContact CA-SG 3.56Å; V433-C441 HydrophobicContact CG2-CB 4.08Å; G437-C441 PolarHBondContact O-N 3.5Å; G437-C441 PolarHBondContact O-SG 3.02Å; A438-C441 PolarHBondContact O-N 3.3Å; I439-C441 VanDerWaalsContact C-N 3.29Å; I439-C441 PolarHBondContact O-N 3.31Å; C441-V443 VanDerWaalsContact C-N 3.33Å; C441-I444 PolarHBondContact O-N 3.34Å; C441-S445 WeakPolarHBondContact O-CB 3.48Å; C441-S445 PolarHBondContact O-N 3.17Å; C441-I478 HydrophobicContact CB-CG2 3.78Å; C441-I478 WeakPolarHBondContact O-CG2 3.38Å; C441-A482 HydrophobicContact CB-CB 3.73Å
442Q94.8Very high92Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-61.3-42.8173.8-71.6166.8-13.700111.2V380 A438 I439 V440 S445 Q446 L479 A482 Q486 F552V380-Q442 HydrophobicContact CG1-CB 4.43Å; V380-Q442 HydrophobicContact CG1-CG 4.07Å; A438-Q442 VanDerWaalsContact O-CG 3.28Å; A438-Q442 WeakPolarHBondContact O-CG 3.42Å; A438-Q442 PolarHBondContact O-N 2.81Å; I439-Q442 WeakPolarHBondContact O-CB 3.24Å; I439-Q442 PolarHBondContact O-N 2.95Å; V440-Q442 PolarHBondContact O-N 3.22Å; Q442-S445 PolarHBondContact O-N 2.86Å; Q442-Q446 WeakPolarHBondContact O-CG 3.11Å; Q442-Q446 PolarHBondContact O-N 2.88Å; Q442-L479 HydrophobicContact CG-CD1 4.24Å; Q442-A482 HydrophobicContact CG-CB 4.11Å; Q442-Q486 VanDerWaalsContact NE2-CD 3.25Å; Q442-F552 HydrophobicContact CB-CD2 4.28Å
443V96Very high92.8Very high31 Ų3142.5 Ų42.519%0.18822%0.216CC..Hα-helixtrans-66.5-46176.81760000111.6I439 V440 C441 S445 Q446 I447 P553I439-V443 WeakPolarHBondContact O-CG2 3.49Å; I439-V443 PolarHBondContact O-N 3.41Å; I439-V443 VanDerWaalsContact O-N 3.07Å; V440-V443 PolarHBondContact O-N 3.45Å; C441-V443 VanDerWaalsContact C-N 3.33Å; V443-S445 VanDerWaalsContact C-N 3.27Å; V443-S445 PolarHBondContact O-N 3.5Å; V443-Q446 PolarHBondContact O-N 2.98Å; V443-Q446 VanDerWaalsContact O-N 3.1Å; V443-I447 HydrophobicContact CG1-CD1 3.85Å; V443-I447 HydrophobicContact CG1-CG1 4.37Å; V443-I447 WeakPolarHBondContact O-CG1 3.25Å; V443-I447 PolarHBondContact O-N 2.88Å; V443-P553 HydrophobicContact CG2-CB 4.44Å; V443-P553 HydrophobicContact CG2-CG 4.07Å
444I95.4Very high93.5Very high53 Ų5345 Ų4527%0.27223%0.229SC..Hα-helixtrans-56.5-44.7176-70.3168.3000110.5L432 V440 C441 Q446 I447 L448 I478L432-I444 HydrophobicContact CD2-CD1 4.15Å; V440-I444 HydrophobicContact CG1-CD1 3.85Å; V440-I444 HydrophobicContact CG1-CG1 4.34Å; V440-I444 VanDerWaalsContact O-CG1 3.31Å; V440-I444 WeakPolarHBondContact O-CG1 3.38Å; V440-I444 PolarHBondContact O-N 3.47Å; C441-I444 PolarHBondContact O-N 3.34Å; I444-Q446 PolarHBondContact O-N 2.83Å; I444-I447 PolarHBondContact O-N 2.99Å; I444-L448 HydrophobicContact CG2-CD1 4.12Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.29Å; I444-I478 HydrophobicContact CG2-CD1 4.4Å
445S95.7Very high94.2Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-58.8-46.1175.2162.10000112C441 Q442 V443 I447 L448 L449 S475 L479C441-S445 WeakPolarHBondContact O-CB 3.48Å; C441-S445 PolarHBondContact O-N 3.17Å; Q442-S445 PolarHBondContact O-N 2.86Å; V443-S445 VanDerWaalsContact C-N 3.27Å; V443-S445 PolarHBondContact O-N 3.5Å; S445-I447 PolarHBondContact O-N 3.28Å; S445-L448 PolarHBondContact O-N 3.01Å; S445-L449 PolarHBondContact O-N 2.73Å; S445-S475 VanDerWaalsContact C-OG 3.28Å; S445-S475 WeakPolarHBondContact CA-OG 3.37Å; S445-S475 WeakPolarHBondContact CB-OG 3.22Å; S445-S475 PolarHBondContact O-OG 3.42Å; S445-S475 PolarHBondContact OG-O 2.86Å; S445-S475 PolarHBondContact OG-OG 3.25Å; S445-L479 WeakPolarHBondContact OG-CB 3.41Å
446Q96.3Very high94.6Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-63.5-41.1177.6-67.9-55-45.900112.6T384 Q442 V443 I444 L448 L449 T450 C548 A549 F552T384-Q446 PolarHBondContact OG1-NE2 2.86Å; Q442-Q446 WeakPolarHBondContact O-CG 3.11Å; Q442-Q446 PolarHBondContact O-N 2.88Å; V443-Q446 PolarHBondContact O-N 2.98Å; V443-Q446 VanDerWaalsContact O-N 3.1Å; I444-Q446 PolarHBondContact O-N 2.83Å; Q446-L448 VanDerWaalsContact C-N 3.28Å; Q446-L448 PolarHBondContact O-N 2.95Å; Q446-L449 WeakPolarHBondContact O-CB 3.25Å; Q446-L449 PolarHBondContact O-N 2.92Å; Q446-L449 VanDerWaalsContact O-N 3.12Å; Q446-T450 PolarHBondContact O-N 3.28Å; Q446-T450 PolarHBondContact O-OG1 2.99Å; Q446-T450 VanDerWaalsContact O-OG1 3.06Å; Q446-C548 HydrophobicContact CG-CB 4.32Å; Q446-A549 HydrophobicContact CB-CB 3.7Å; Q446-F552 HydrophobicContact CG-CD2 3.72Å; Q446-F552 HydrophobicContact CG-CE2 3.3Å; Q446-F552 HydrophobicContact CG-CZ 4.18Å
447I96.9Very high94.9Very high82 Ų8227.7 Ų27.742%0.42115%0.152SC..Hα-helixtrans-59.4-42.1175.9-67.9167.9000110.6V443 I444 S445 T450 I451 A549V443-I447 HydrophobicContact CG1-CD1 3.85Å; V443-I447 HydrophobicContact CG1-CG1 4.37Å; V443-I447 WeakPolarHBondContact O-CG1 3.25Å; V443-I447 PolarHBondContact O-N 2.88Å; I444-I447 PolarHBondContact O-N 2.99Å; S445-I447 PolarHBondContact O-N 3.28Å; I447-T450 WeakPolarHBondContact O-CB 3.48Å; I447-T450 PolarHBondContact O-N 3.42Å; I447-I451 HydrophobicContact CG2-CD1 4.17Å; I447-I451 WeakPolarHBondContact O-CG1 3.49Å; I447-I451 PolarHBondContact O-N 3.24Å; I447-A549 HydrophobicContact CG1-CB 4.35Å
448L96.8Very high95.2Very high30 Ų3033.7 Ų33.716%0.15717%0.169CC..Hα-helixtrans-65.2-37.4176.1-71.5168.2000112.6I444 S445 Q446 I451 C452 A471 I474 I478I444-L448 HydrophobicContact CG2-CD1 4.12Å; I444-L448 WeakPolarHBondContact O-CG 3.44Å; I444-L448 PolarHBondContact O-N 3.29Å; S445-L448 PolarHBondContact O-N 3.01Å; Q446-L448 VanDerWaalsContact C-N 3.28Å; Q446-L448 PolarHBondContact O-N 2.95Å; L448-I451 PolarHBondContact O-N 3.41Å; L448-C452 PolarHBondContact O-N 2.94Å; L448-A471 HydrophobicContact CD2-CB 4.35Å; L448-A471 WeakPolarHBondContact O-CB 3.49Å; L448-I474 HydrophobicContact CD1-CB 4.01Å; L448-I474 HydrophobicContact CD1-CG2 3.55Å; L448-I478 HydrophobicContact CD1-CD1 4.27Å
449L96.5Very high95.2Very high4 Ų434.6 Ų34.62%0.02118%0.175CC..Hα-helixtrans-65.1-40.4171.9-69.9173.2000111.6T384 I387 S445 Q446 I451 C452 F453 Y472 S475 T545T384-L449 HydrophobicContact CG2-CD1 3.88Å; I387-L449 HydrophobicContact CG2-CD1 4.45Å; S445-L449 PolarHBondContact O-N 2.73Å; Q446-L449 WeakPolarHBondContact O-CB 3.25Å; Q446-L449 PolarHBondContact O-N 2.92Å; Q446-L449 VanDerWaalsContact O-N 3.12Å; L449-I451 VanDerWaalsContact C-N 3.34Å; L449-I451 PolarHBondContact O-N 2.95Å; L449-C452 WeakPolarHBondContact O-CB 3.3Å; L449-C452 PolarHBondContact O-N 3.25Å; L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 3.2Å; L449-Y472 HydrophobicContact CD2-CD2 3.49Å; L449-Y472 VanDerWaalsContact CD2-CD2 3.49Å; L449-Y472 HydrophobicContact CD2-CE2 3.93Å; L449-S475 WeakPolarHBondContact CG-OG 3.43Å; L449-T545 HydrophobicContact CB-CG2 3.99Å
450T97.1Very high94.9Very high15 Ų1537.8 Ų37.89%0.09220%0.197CC..Hα-helixtrans-59.3-45.9174.4-610000111Q446 I447 C452 F453 I454 F542 T545 S546Q446-T450 PolarHBondContact O-N 3.28Å; Q446-T450 PolarHBondContact O-OG1 2.99Å; Q446-T450 VanDerWaalsContact O-OG1 3.06Å; I447-T450 WeakPolarHBondContact O-CB 3.48Å; I447-T450 PolarHBondContact O-N 3.42Å; T450-C452 VanDerWaalsContact C-N 3.32Å; T450-C452 PolarHBondContact O-N 3.32Å; T450-F453 PolarHBondContact O-N 3.44Å; T450-I454 HydrophobicContact CG2-CD1 4.32Å; T450-I454 WeakPolarHBondContact O-CG1 3.28Å; T450-I454 PolarHBondContact O-N 2.83Å; T450-F542 HydrophobicContact CG2-CD2 3.56Å; T450-F542 HydrophobicContact CG2-CE2 3.5Å; T450-F542 VanDerWaalsContact CG2-CE2 3.5Å; T450-T545 WeakPolarHBondContact CA-OG1 3.35Å; T450-T545 WeakPolarHBondContact OG1-CB 3.39Å; T450-T545 PolarHBondContact OG1-OG1 3.36Å; T450-S546 WeakPolarHBondContact CG2-OG 3.28Å; T450-S546 PolarHBondContact OG1-N 3.37Å
451I96.5Very high94.7Very high67 Ų6737.5 Ų37.534%0.34419%0.193SC..Hα-helixtrans-58.7-44.5174.8-68165.8000110.8I447 L448 L449 F453 I454 F455 A471I447-I451 HydrophobicContact CG2-CD1 4.17Å; I447-I451 WeakPolarHBondContact O-CG1 3.49Å; I447-I451 PolarHBondContact O-N 3.24Å; L448-I451 PolarHBondContact O-N 3.41Å; L449-I451 VanDerWaalsContact C-N 3.34Å; L449-I451 PolarHBondContact O-N 2.95Å; I451-F453 PolarHBondContact O-N 3.44Å; I451-I454 WeakPolarHBondContact O-CB 3.39Å; I451-I454 PolarHBondContact O-N 2.97Å; I451-F455 HydrophobicContact CG2-CD2 4.1Å; I451-F455 HydrophobicContact CG2-CE2 3.86Å; I451-F455 VanDerWaalsContact O-CD2 3.3Å; I451-F455 WeakPolarHBondContact O-CD2 3.29Å; I451-F455 PolarHBondContact O-N 2.9Å; I451-A471 HydrophobicContact CB-CB 4.4Å; I451-A471 HydrophobicContact CG2-CB 4.13Å
452C96.3Very high94.5Very high3 Ų341.2 Ų41.22%0.0221%0.208CC..Hα-helixtrans-54.7-51.8175.4176.80000111.6L448 L449 T450 I454 F455 Y456 G468 A471L448-C452 PolarHBondContact O-N 2.94Å; L449-C452 WeakPolarHBondContact O-CB 3.3Å; L449-C452 PolarHBondContact O-N 3.25Å; T450-C452 VanDerWaalsContact C-N 3.32Å; T450-C452 PolarHBondContact O-N 3.32Å; C452-I454 VanDerWaalsContact C-N 3.33Å; C452-I454 PolarHBondContact O-N 2.96Å; C452-F455 WeakPolarHBondContact O-CB 3.39Å; C452-F455 PolarHBondContact O-N 3.34Å; C452-F455 VanDerWaalsContact O-N 3.11Å; C452-Y456 WeakPolarHBondContact O-CD2 3.43Å; C452-Y456 PolarHBondContact O-N 3.34Å; C452-Y456 VanDerWaalsContact O-N 3.12Å; C452-G468 WeakPolarHBondContact CB-O 3.45Å; C452-G468 PolarHBondContact SG-O 3.27Å; C452-G468 VanDerWaalsContact SG-O 3.35Å; C452-A471 HydrophobicContact CB-CB 4.43Å
453F96.3Very high94.4Very high3 Ų346.8 Ų46.81%0.01323%0.229CC..Hα-helixtrans-70-24.2-179.1-69.9-62.8000114.7I387 F390 V391 L449 T450 I451 F455 Y456 T457 Y538 A541 F542 T545I387-F453 HydrophobicContact CD1-CE2 4.26Å; I387-F453 HydrophobicContact CG2-CE2 3.5Å; I387-F453 VanDerWaalsContact CG2-CE2 3.5Å; I387-F453 HydrophobicContact CG2-CZ 3.75Å; F390-F453 AromaticContact CD1-CE1 3.72Å; F390-F453 HydrophobicContact CD1-CE1 3.72Å; F390-F453 HydrophobicContact CD1-CZ 4.05Å; F390-F453 HydrophobicContact CE1-CD1 4.48Å; F390-F453 AromaticContact CE1-CE1 3.73Å; F390-F453 HydrophobicContact CE1-CE1 3.73Å; V391-F453 HydrophobicContact CG2-CE1 4.45Å; V391-F453 HydrophobicContact CG2-CZ 3.9Å; L449-F453 WeakPolarHBondContact O-CD2 3.42Å; L449-F453 PolarHBondContact O-N 3.2Å; T450-F453 PolarHBondContact O-N 3.44Å; I451-F453 PolarHBondContact O-N 3.44Å; F453-F455 VanDerWaalsContact C-N 3.34Å; F453-Y456 PolarHBondContact O-N 2.94Å; F453-T457 VanDerWaalsContact O-CB 3.31Å; F453-T457 WeakPolarHBondContact O-CB 3.41Å; F453-T457 PolarHBondContact O-N 3.37Å; F453-T457 PolarHBondContact O-OG1 2.98Å; F453-Y538 HydrophobicContact CD1-CD1 4.13Å; F453-Y538 HydrophobicContact CE1-CD1 4.4Å; F453-A541 HydrophobicContact CD1-CB 3.83Å; F453-A541 HydrophobicContact CD2-CB 4.16Å; F453-A541 HydrophobicContact CE1-CB 3.92Å; F453-A541 HydrophobicContact CE2-CB 4.25Å; F453-A541 HydrophobicContact CG-CB 3.97Å; F453-A541 HydrophobicContact CZ-CB 4.12Å; F453-F542 HydrophobicContact CB-CB 3.8Å; F453-T545 HydrophobicContact CD2-CG2 3.93Å; F453-T545 HydrophobicContact CE2-CG2 3.94Å
454I96Very high94.3Very high63 Ų6351.2 Ų51.232%0.32324%0.243SC..Hα-helixtrans-59.3-48.2168.1-71.5169.4000109.7T450 I451 C452 Y456 T457 Y458 F542T450-I454 HydrophobicContact CG2-CD1 4.32Å; T450-I454 WeakPolarHBondContact O-CG1 3.28Å; T450-I454 PolarHBondContact O-N 2.83Å; I451-I454 WeakPolarHBondContact O-CB 3.39Å; I451-I454 PolarHBondContact O-N 2.97Å; C452-I454 VanDerWaalsContact C-N 3.33Å; C452-I454 PolarHBondContact O-N 2.96Å; I454-Y456 PolarHBondContact O-N 3.35Å; I454-T457 PolarHBondContact O-N 3.27Å; I454-Y458 HydrophobicContact CG2-CD2 3.97Å; I454-Y458 HydrophobicContact CG2-CE2 4.49Å; I454-Y458 WeakPolarHBondContact O-CD2 3.45Å; I454-Y458 PolarHBondContact O-N 2.98Å; I454-F542 HydrophobicContact CD1-CD2 4.17Å; I454-F542 HydrophobicContact CD1-CE2 3.77Å; I454-F542 HydrophobicContact CG1-CD2 3.49Å; I454-F542 VanDerWaalsContact CG1-CD2 3.49Å; I454-F542 HydrophobicContact CG1-CE2 3.53Å; I454-F542 HydrophobicContact CG1-CG 4.38Å; I454-F542 HydrophobicContact CG1-CZ 4.42Å
455F95.3Very high94.2Very high57 Ų5749.2 Ų49.225%0.2523%0.233CC..Hα-helixtrans-61.5-43.5176.8-79.1-76.7000111.5I451 C452 F453 T457 S459 I467I451-F455 HydrophobicContact CG2-CD2 4.1Å; I451-F455 HydrophobicContact CG2-CE2 3.86Å; I451-F455 VanDerWaalsContact O-CD2 3.3Å; I451-F455 WeakPolarHBondContact O-CD2 3.29Å; I451-F455 PolarHBondContact O-N 2.9Å; C452-F455 WeakPolarHBondContact O-CB 3.39Å; C452-F455 PolarHBondContact O-N 3.34Å; C452-F455 VanDerWaalsContact O-N 3.11Å; F453-F455 VanDerWaalsContact C-N 3.34Å; F455-T457 VanDerWaalsContact C-N 3.3Å; F455-T457 PolarHBondContact O-N 2.92Å; F455-S459 WeakPolarHBondContact O-CB 3.48Å; F455-S459 PolarHBondContact O-N 3.47Å; F455-S459 PolarHBondContact O-OG 3.15Å; F455-I467 HydrophobicContact CD1-CB 4.33Å; F455-I467 HydrophobicContact CD2-CB 4.48Å; F455-I467 HydrophobicContact CD2-CG2 4.24Å; F455-I467 HydrophobicContact CE1-CB 4.05Å; F455-I467 HydrophobicContact CE1-CD1 4.08Å; F455-I467 HydrophobicContact CE1-CG2 4.01Å; F455-I467 HydrophobicContact CE2-CB 4.22Å; F455-I467 HydrophobicContact CE2-CG2 3.58Å; F455-I467 HydrophobicContact CZ-CB 4.01Å; F455-I467 HydrophobicContact CZ-CD1 4.41Å; F455-I467 HydrophobicContact CZ-CG2 3.45Å; F455-I467 VanDerWaalsContact CZ-CG2 3.45Å
456Y94.4Very high94.2Very high9 Ų950.7 Ų50.74%0.03524%0.241CC..Hα-helixtrans-63.7-32.3176.3-85.9-83.7000114.4N395 L399 C452 F453 I454 L465 E469 Y538N395-Y456 PolarHBondContact ND2-OH 2.99Å; N395-Y456 WeakPolarHBondContact OD1-CE1 3.39Å; L399-Y456 HydrophobicContact CD1-CE1 4.16Å; L399-Y456 HydrophobicContact CD2-CE1 4.2Å; C452-Y456 WeakPolarHBondContact O-CD2 3.43Å; C452-Y456 PolarHBondContact O-N 3.34Å; C452-Y456 VanDerWaalsContact O-N 3.12Å; F453-Y456 PolarHBondContact O-N 2.94Å; I454-Y456 PolarHBondContact O-N 3.35Å; Y456-L465 HydrophobicContact CD1-CD1 4.36Å; Y456-L465 HydrophobicContact CD1-CD2 3.7Å; Y456-L465 HydrophobicContact CD2-CD2 4.37Å; Y456-L465 HydrophobicContact CE1-CD1 4.01Å; Y456-L465 HydrophobicContact CE1-CD2 3.98Å; Y456-L465 HydrophobicContact CE1-CG 4.43Å; Y456-L465 HydrophobicContact CG-CD2 3.92Å; Y456-E469 WeakPolarHBondContact CE2-OE1 3.45Å; Y456-E469 PolarHBondContact OH-OE1 3.38Å; Y456-Y538 HydrophobicContact CD1-CD1 4.06Å; Y456-Y538 AromaticContact CD1-CE1 3.51Å; Y456-Y538 HydrophobicContact CD1-CE1 3.51Å; Y456-Y538 HydrophobicContact CD1-CE2 4.27Å; Y456-Y538 AromaticContact CD1-CZ 3.64Å; Y456-Y538 HydrophobicContact CE1-CE1 4.19Å; Y456-Y538 HydrophobicContact CG-CD1 4.02Å; Y456-Y538 AromaticContact CG-CE1 3.9Å; Y456-Y538 HydrophobicContact CG-CE1 3.9Å
457T94.8Very high94.1Very high15 Ų1554.5 Ų54.59%0.09226%0.26CS..Hα-helixtrans-79.6-43.7-176.7-59.10000112.3F453 I454 F455 Y538 F539F453-T457 VanDerWaalsContact O-CB 3.31Å; F453-T457 WeakPolarHBondContact O-CB 3.41Å; F453-T457 PolarHBondContact O-N 3.37Å; F453-T457 PolarHBondContact O-OG1 2.98Å; I454-T457 PolarHBondContact O-N 3.27Å; F455-T457 VanDerWaalsContact C-N 3.3Å; F455-T457 PolarHBondContact O-N 2.92Å; T457-Y538 WeakPolarHBondContact OG1-CB 3.3Å; T457-Y538 PolarHBondContact OG1-O 3.44Å; T457-F539 HydrophobicContact CG2-CB 3.81Å; T457-F539 HydrophobicContact CG2-CD2 4.01Å; T457-F539 HydrophobicContact CG2-CG 4.38Å; T457-F539 PolarHBondContact OG1-N 2.65Å
458Y93.9Very high94Very high147 Ų14750.6 Ų50.658%0.57624%0.24SC*.Hα-helixtrans-103.2-17.6-169.3-64.2-72.4000114.4I454 T460I454-Y458 HydrophobicContact CG2-CD2 3.97Å; I454-Y458 HydrophobicContact CG2-CE2 4.49Å; I454-Y458 WeakPolarHBondContact O-CD2 3.45Å; I454-Y458 PolarHBondContact O-N 2.98Å; Y458-T460 PolarHBondContact O-N 3.42Å
459S90.8Very high93.9Very high26 Ų2649.6 Ų49.618%0.18224%0.235CC..  trans-72.6124.3-179.1-56.80000111.3F455 Y464F455-S459 WeakPolarHBondContact O-CB 3.48Å; F455-S459 PolarHBondContact O-N 3.47Å; F455-S459 PolarHBondContact O-OG 3.15Å; S459-Y464 WeakPolarHBondContact OG-CB 3.28Å
460T86.3Confident93.9Very high121 Ų12152.7 Ų52.774%0.74225%0.251SS*.SBendtrans-82.6-33.9170.651.40000111.9Y458Y458-T460 PolarHBondContact O-N 3.42Å
461N89.3Confident93.8Very high62 Ų6252.4 Ų52.433%0.33225%0.249SC..SBendtrans-93.5126.6176.5-176.3-11.5000110.4W463 Y464N461-W463 PolarHBondContact O-N 2.92Å; N461-W463 WeakPolarHBondContact OD1-CB 3.34Å; N461-W463 PolarHBondContact OD1-N 2.87Å; N461-Y464 HydrophobicContact CB-CD2 3.74Å; N461-Y464 HydrophobicContact CB-CE2 3.88Å; N461-Y464 PolarHBondContact O-N 3.45Å
462Y89.1Confident93.7Very high77 Ų7751 Ų5130%0.30224%0.24SC..G310 helixtrans-63-22.2179.260.5-102.6000113.2F409 Y464 L465F409-Y462 AromaticContact CD1-CD2 3.71Å; F409-Y462 HydrophobicContact CD1-CD2 3.71Å; F409-Y462 HydrophobicContact CD1-CE2 4.34Å; F409-Y462 AromaticContact CD2-CD2 3.89Å; F409-Y462 HydrophobicContact CD2-CD2 3.89Å; F409-Y462 AromaticContact CD2-CE2 3.86Å; F409-Y462 HydrophobicContact CD2-CE2 3.86Å; F409-Y462 AromaticContact CE1-CD2 3.56Å; F409-Y462 HydrophobicContact CE1-CD2 3.56Å; F409-Y462 HydrophobicContact CE1-CE2 4.47Å; F409-Y462 HydrophobicContact CE1-CG 4.3Å; F409-Y462 VanDerWaalsContact CE1-O 3.3Å; F409-Y462 WeakPolarHBondContact CE1-O 3.34Å; F409-Y462 AromaticContact CE2-CD2 3.77Å; F409-Y462 HydrophobicContact CE2-CD2 3.77Å; F409-Y462 HydrophobicContact CE2-CE2 4.03Å; F409-Y462 AromaticContact CG-CD2 3.87Å; F409-Y462 HydrophobicContact CG-CD2 3.87Å; F409-Y462 HydrophobicContact CG-CE2 4.03Å; F409-Y462 AromaticContact CZ-CD2 3.62Å; F409-Y462 HydrophobicContact CZ-CD2 3.62Å; F409-Y462 HydrophobicContact CZ-CE2 4.34Å; F409-Y462 WeakPolarHBondContact CZ-O 3.39Å; Y462-Y464 VanDerWaalsContact C-N 3.26Å; Y462-Y464 PolarHBondContact O-N 3.15Å; Y462-L465 WeakPolarHBondContact O-CB 3.46Å; Y462-L465 VanDerWaalsContact O-CG 3.27Å; Y462-L465 WeakPolarHBondContact O-CG 3.16Å; Y462-L465 PolarHBondContact O-N 3.45Å
463W92.8Very high93.6Very high118 Ų11850.9 Ų50.945%0.44724%0.239SC..G310 helixtrans-61.1-31.7175.3-74.497.7000113.3F409 L412 N461 L465 L466F409-W463 HydrophobicContact CD2-CE3 4.46Å; F409-W463 HydrophobicContact CD2-CH2 4.31Å; F409-W463 HydrophobicContact CD2-CZ2 4.43Å; F409-W463 HydrophobicContact CD2-CZ3 4.33Å; F409-W463 AromaticContact CE2-CD2 3.83Å; F409-W463 HydrophobicContact CE2-CD2 3.83Å; F409-W463 AromaticContact CE2-CE3 3.63Å; F409-W463 HydrophobicContact CE2-CE3 3.63Å; F409-W463 HydrophobicContact CE2-CG 4.43Å; F409-W463 HydrophobicContact CE2-CH2 4.25Å; F409-W463 HydrophobicContact CE2-CZ2 4.44Å; F409-W463 AromaticContact CE2-CZ3 3.85Å; F409-W463 HydrophobicContact CE2-CZ3 3.85Å; F409-W463 HydrophobicContact CZ-CE3 4.49Å; L412-W463 HydrophobicContact CD2-CH2 4.46Å; L412-W463 HydrophobicContact CD2-CZ3 4.1Å; N461-W463 PolarHBondContact O-N 2.92Å; N461-W463 WeakPolarHBondContact OD1-CB 3.34Å; N461-W463 PolarHBondContact OD1-N 2.87Å; W463-L465 PolarHBondContact O-N 2.93Å; W463-L466 HydrophobicContact CE3-CD1 3.71Å; W463-L466 HydrophobicContact CZ3-CD1 4.08Å; W463-L466 WeakPolarHBondContact O-CB 3.19Å; W463-L466 PolarHBondContact O-N 3.25Å
464Y93.1Very high93.5Very high124 Ų12453 Ų5349%0.48625%0.25SS..G310 helixtrans-69.8-17.5176.1-65.8-58.9000113S459 N461 Y462 L466 I467S459-Y464 WeakPolarHBondContact OG-CB 3.28Å; N461-Y464 HydrophobicContact CB-CD2 3.74Å; N461-Y464 HydrophobicContact CB-CE2 3.88Å; N461-Y464 PolarHBondContact O-N 3.45Å; Y462-Y464 VanDerWaalsContact C-N 3.26Å; Y462-Y464 PolarHBondContact O-N 3.15Å; Y464-L466 PolarHBondContact O-N 3.39Å; Y464-I467 HydrophobicContact CD1-CD1 4.18Å; Y464-I467 WeakPolarHBondContact O-CB 3.14Å; Y464-I467 PolarHBondContact O-N 2.81Å; Y464-I467 VanDerWaalsContact O-N 3.09Å
465L94.7Very high93.5Very high11 Ų1150 Ų506%0.05824%0.235CC..Hα-helixtrans-63.7-24.8175.5-56.5177.7000112L399 L413 Y456 Y462 W463 I467 G468 E469L399-L465 HydrophobicContact CD2-CD1 3.76Å; L413-L465 HydrophobicContact CD2-CB 3.73Å; Y456-L465 HydrophobicContact CD1-CD1 4.36Å; Y456-L465 HydrophobicContact CD1-CD2 3.7Å; Y456-L465 HydrophobicContact CD2-CD2 4.37Å; Y456-L465 HydrophobicContact CE1-CD1 4.01Å; Y456-L465 HydrophobicContact CE1-CD2 3.98Å; Y456-L465 HydrophobicContact CE1-CG 4.43Å; Y456-L465 HydrophobicContact CG-CD2 3.92Å; Y462-L465 WeakPolarHBondContact O-CB 3.46Å; Y462-L465 VanDerWaalsContact O-CG 3.27Å; Y462-L465 WeakPolarHBondContact O-CG 3.16Å; Y462-L465 PolarHBondContact O-N 3.45Å; W463-L465 PolarHBondContact O-N 2.93Å; L465-I467 PolarHBondContact O-N 3.44Å; L465-G468 WeakPolarHBondContact O-CA 3.37Å; L465-G468 PolarHBondContact O-N 2.66Å; L465-E469 PolarHBondContact O-N 2.95Å
466L95.2Very high93.3Very high31 Ų3149.6 Ų49.616%0.16223%0.232CC..Hα-helixtrans-58.7-35.2173.7-66.8169000112.1F409 L412 L413 T416 W463 Y464 G468 E469 I470F409-L466 HydrophobicContact CE2-CD1 4.04Å; F409-L466 HydrophobicContact CE2-CD2 4.38Å; F409-L466 HydrophobicContact CE2-CG 4.16Å; F409-L466 HydrophobicContact CZ-CD1 4.19Å; F409-L466 HydrophobicContact CZ-CD2 4.18Å; F409-L466 HydrophobicContact CZ-CG 3.85Å; L412-L466 HydrophobicContact CD2-CD1 4.46Å; L412-L466 HydrophobicContact CD2-CD2 4.35Å; L412-L466 HydrophobicContact CG-CD2 4.09Å; L413-L466 HydrophobicContact CD2-CD2 3.84Å; L413-L466 HydrophobicContact CD2-CG 4.22Å; L413-L466 HydrophobicContact CG-CD2 4.42Å; T416-L466 HydrophobicContact CG2-CD2 4.32Å; T416-L466 WeakPolarHBondContact OG1-CD2 3.19Å; W463-L466 HydrophobicContact CE3-CD1 3.71Å; W463-L466 HydrophobicContact CZ3-CD1 4.08Å; W463-L466 WeakPolarHBondContact O-CB 3.19Å; W463-L466 PolarHBondContact O-N 3.25Å; Y464-L466 PolarHBondContact O-N 3.39Å; L466-G468 VanDerWaalsContact C-N 3.34Å; L466-E469 PolarHBondContact O-N 3.34Å; L466-I470 WeakPolarHBondContact O-CG1 3.49Å; L466-I470 PolarHBondContact O-N 2.94Å
467I94.2Very high93.1Very high80 Ų8049.2 Ų49.241%0.4123%0.231SC..Hα-helixtrans-67.8-39.7176.8-54.8173.6000110F455 Y464 L465 I470 A471F455-I467 HydrophobicContact CD1-CB 4.33Å; F455-I467 HydrophobicContact CD2-CB 4.48Å; F455-I467 HydrophobicContact CD2-CG2 4.24Å; F455-I467 HydrophobicContact CE1-CB 4.05Å; F455-I467 HydrophobicContact CE1-CD1 4.08Å; F455-I467 HydrophobicContact CE1-CG2 4.01Å; F455-I467 HydrophobicContact CE2-CB 4.22Å; F455-I467 HydrophobicContact CE2-CG2 3.58Å; F455-I467 HydrophobicContact CZ-CB 4.01Å; F455-I467 HydrophobicContact CZ-CD1 4.41Å; F455-I467 HydrophobicContact CZ-CG2 3.45Å; F455-I467 VanDerWaalsContact CZ-CG2 3.45Å; Y464-I467 HydrophobicContact CD1-CD1 4.18Å; Y464-I467 WeakPolarHBondContact O-CB 3.14Å; Y464-I467 PolarHBondContact O-N 2.81Å; Y464-I467 VanDerWaalsContact O-N 3.09Å; L465-I467 PolarHBondContact O-N 3.44Å; I467-I470 PolarHBondContact O-N 3.23Å; I467-A471 PolarHBondContact O-N 3.5Å
468G94.3Very high93Very high0 Ų048.7 Ų48.70%023%0.227CC..Hα-helixtrans-61.7-42.5172.900000112.5C452 L465 L466 I470 A471 Y472C452-G468 WeakPolarHBondContact CB-O 3.45Å; C452-G468 PolarHBondContact SG-O 3.27Å; C452-G468 VanDerWaalsContact SG-O 3.35Å; L465-G468 WeakPolarHBondContact O-CA 3.37Å; L465-G468 PolarHBondContact O-N 2.66Å; L466-G468 VanDerWaalsContact C-N 3.34Å; G468-I470 VanDerWaalsContact C-N 3.34Å; G468-I470 PolarHBondContact O-N 3.36Å; G468-A471 WeakPolarHBondContact O-CB 3.46Å; G468-A471 PolarHBondContact O-N 3.47Å; G468-A471 VanDerWaalsContact O-N 3.13Å; G468-Y472 PolarHBondContact O-N 3.07Å
469E95.1Very high93Very high9 Ų941.8 Ų41.84%0.04220%0.2CC..Hα-helixtrans-65-33.8177-71-56.6138.900113.3L413 A417 Y456 L465 L466 A471 Y472 G473L413-E469 HydrophobicContact CB-CG 3.94Å; L413-E469 HydrophobicContact CD2-CG 3.52Å; L413-E469 HydrophobicContact CG-CG 4.3Å; A417-E469 HydrophobicContact CB-CB 4.27Å; Y456-E469 WeakPolarHBondContact CE2-OE1 3.45Å; Y456-E469 PolarHBondContact OH-OE1 3.38Å; L465-E469 PolarHBondContact O-N 2.95Å; L466-E469 PolarHBondContact O-N 3.34Å; E469-A471 VanDerWaalsContact C-N 3.33Å; E469-A471 PolarHBondContact O-N 3.09Å; E469-Y472 PolarHBondContact O-N 3.35Å; E469-G473 PolarHBondContact O-N 3.45Å
470I95.9Very high93Very high69 Ų6941.7 Ų41.735%0.35420%0.197SC..Hα-helixtrans-60-46171.1-68.8166.8000110.1T416 V420 L466 I467 G468 Y472 G473 I474T416-I470 HydrophobicContact CG2-CD1 4.35Å; T416-I470 HydrophobicContact CG2-CG1 3.74Å; V420-I470 HydrophobicContact CG1-CG2 4.44Å; V420-I470 HydrophobicContact CG2-CG1 4.23Å; V420-I470 HydrophobicContact CG2-CG2 4.27Å; L466-I470 WeakPolarHBondContact O-CG1 3.49Å; L466-I470 PolarHBondContact O-N 2.94Å; I467-I470 PolarHBondContact O-N 3.23Å; G468-I470 VanDerWaalsContact C-N 3.34Å; G468-I470 PolarHBondContact O-N 3.36Å; I470-Y472 PolarHBondContact O-N 2.96Å; I470-G473 PolarHBondContact O-N 3.04Å; I470-I474 HydrophobicContact CG2-CD1 4.2Å; I470-I474 WeakPolarHBondContact O-CG1 3.41Å; I470-I474 PolarHBondContact O-N 2.82Å; I470-I474 VanDerWaalsContact O-N 3.17Å
471A95.6Very high93.1Very high8 Ų838.1 Ų38.17%0.06617%0.174CC..Hα-helixtrans-63.7-41.3177.800000111.9L448 I451 C452 I467 G468 E469 I474 S475L448-A471 HydrophobicContact CD2-CB 4.35Å; L448-A471 WeakPolarHBondContact O-CB 3.49Å; I451-A471 HydrophobicContact CB-CB 4.4Å; I451-A471 HydrophobicContact CG2-CB 4.13Å; C452-A471 HydrophobicContact CB-CB 4.43Å; I467-A471 PolarHBondContact O-N 3.5Å; G468-A471 WeakPolarHBondContact O-CB 3.46Å; G468-A471 PolarHBondContact O-N 3.47Å; G468-A471 VanDerWaalsContact O-N 3.13Å; E469-A471 VanDerWaalsContact C-N 3.33Å; E469-A471 PolarHBondContact O-N 3.09Å; A471-I474 PolarHBondContact O-N 3.07Å; A471-S475 WeakPolarHBondContact O-CB 3.17Å; A471-S475 PolarHBondContact O-N 3.43Å
472Y95Very high93.2Very high38 Ų3835.1 Ų35.115%0.14916%0.158CC..Hα-helixtrans-60.5-47.3174.3-180-100.5000112.3V391 A417 L449 G468 E469 I470 I474 S475 Y476V391-Y472 HydrophobicContact CG1-CE2 4.23Å; V391-Y472 HydrophobicContact CG2-CE2 4.21Å; A417-Y472 HydrophobicContact CB-CD1 4.25Å; L449-Y472 HydrophobicContact CD2-CD2 3.49Å; L449-Y472 VanDerWaalsContact CD2-CD2 3.49Å; L449-Y472 HydrophobicContact CD2-CE2 3.93Å; G468-Y472 PolarHBondContact O-N 3.07Å; E469-Y472 PolarHBondContact O-N 3.35Å; I470-Y472 PolarHBondContact O-N 2.96Å; Y472-I474 VanDerWaalsContact C-N 3.28Å; Y472-I474 PolarHBondContact O-N 2.94Å; Y472-S475 WeakPolarHBondContact O-CB 3.25Å; Y472-S475 PolarHBondContact O-N 3.3Å; Y472-S475 VanDerWaalsContact O-N 3.1Å; Y472-Y476 PolarHBondContact O-N 2.94Å
473G93.9Very high93.3Very high0 Ų031.5 Ų31.50%014%0.144CC..Hα-helixtrans-61.8-30.2179.500000114.1E421 E469 I470 P477E421-G473 WeakPolarHBondContact CA-O 2.96Å; E469-G473 PolarHBondContact O-N 3.45Å; I470-G473 PolarHBondContact O-N 3.04Å; G473-P477 WeakPolarHBondContact O-CD 3.38Å
474I94.2Very high93.1Very high48 Ų4828 Ų2825%0.24613%0.133CC..Hα-helixtrans-77.6-40.5173-61.5168.6000111V420 T424 L448 I470 A471 Y472 Y476 P477 I478V420-I474 HydrophobicContact CG1-CD1 4.02Å; V420-I474 HydrophobicContact CG1-CG1 3.38Å; T424-I474 HydrophobicContact CG2-CG2 4.13Å; L448-I474 HydrophobicContact CD1-CB 4.01Å; L448-I474 HydrophobicContact CD1-CG2 3.55Å; I470-I474 HydrophobicContact CG2-CD1 4.2Å; I470-I474 WeakPolarHBondContact O-CG1 3.41Å; I470-I474 PolarHBondContact O-N 2.82Å; I470-I474 VanDerWaalsContact O-N 3.17Å; A471-I474 PolarHBondContact O-N 3.07Å; Y472-I474 VanDerWaalsContact C-N 3.28Å; Y472-I474 PolarHBondContact O-N 2.94Å; I474-Y476 PolarHBondContact O-N 3.33Å; I474-P477 WeakPolarHBondContact O-CD 3.25Å; I474-I478 HydrophobicContact CG2-CD1 3.62Å; I474-I478 WeakPolarHBondContact O-CD1 3.4Å; I474-I478 WeakPolarHBondContact O-CG1 3.28Å
475S94.9Very high92.8Very high1 Ų124.1 Ų24.11%0.00712%0.121CC..Hα-helixtrans-60.4-46.6-174.7-178.50000112.7S445 L449 A471 Y472 I478 L479S445-S475 VanDerWaalsContact C-OG 3.28Å; S445-S475 WeakPolarHBondContact CA-OG 3.37Å; S445-S475 WeakPolarHBondContact CB-OG 3.22Å; S445-S475 PolarHBondContact O-OG 3.42Å; S445-S475 PolarHBondContact OG-O 2.86Å; S445-S475 PolarHBondContact OG-OG 3.25Å; L449-S475 WeakPolarHBondContact CG-OG 3.43Å; A471-S475 WeakPolarHBondContact O-CB 3.17Å; A471-S475 PolarHBondContact O-N 3.43Å; Y472-S475 WeakPolarHBondContact O-CB 3.25Å; Y472-S475 PolarHBondContact O-N 3.3Å; Y472-S475 VanDerWaalsContact O-N 3.1Å; S475-I478 PolarHBondContact O-N 3.47Å; S475-L479 PolarHBondContact O-N 3.23Å
476Y91.9Very high92.5Very high47 Ų4724 Ų2418%0.18412%0.12CC..Hα-helixtrans-63.1-49.5-170.5176-95000113.7I388 Y472 I474 I478 L479 M480 M513 Y514I388-Y476 HydrophobicContact CD1-CD2 4.35Å; I388-Y476 HydrophobicContact CD1-CE2 4.39Å; Y472-Y476 PolarHBondContact O-N 2.94Å; I474-Y476 PolarHBondContact O-N 3.33Å; Y476-I478 PolarHBondContact O-N 3.44Å; Y476-L479 PolarHBondContact O-N 2.87Å; Y476-M480 HydrophobicContact CD1-CG 4.42Å; Y476-M480 HydrophobicContact CD2-CG 4.35Å; Y476-M480 HydrophobicContact CE1-CG 4.03Å; Y476-M480 HydrophobicContact CE2-CG 3.98Å; Y476-M480 HydrophobicContact CE2-SD 4.41Å; Y476-M480 WeakPolarHBondContact O-CB 3.11Å; Y476-M480 WeakPolarHBondContact O-CG 3.12Å; Y476-M480 PolarHBondContact O-N 3.34Å; Y476-M513 HydrophobicContact CE2-CE 4.13Å; Y476-Y514 HydrophobicContact CE2-CE1 4.45Å; Y476-Y514 WeakPolarHBondContact CE2-OH 2.99Å; Y476-Y514 PolarHBondContact OH-OH 3.06Å
477P90.4Very high92.1Very high1 Ų122.5 Ų22.51%0.00611%0.112CC..Hα-helixtrans-62.5-38.1175.9-26.736.5000114.1E421 T424 L425 G473 I474 L479 N481E421-P477 HydrophobicContact CB-CG 4.3Å; E421-P477 HydrophobicContact CG-CG 3.35Å; T424-P477 HydrophobicContact CG2-CB 4.2Å; T424-P477 HydrophobicContact CG2-CG 4.4Å; L425-P477 HydrophobicContact CB-CB 4.01Å; L425-P477 HydrophobicContact CB-CG 4.26Å; G473-P477 WeakPolarHBondContact O-CD 3.38Å; I474-P477 WeakPolarHBondContact O-CD 3.25Å; P477-L479 VanDerWaalsContact C-N 3.35Å; P477-N481 WeakPolarHBondContact O-CB 3.39Å; P477-N481 PolarHBondContact O-N 2.94Å
478I92.5Very high91.6Very high4 Ų422 Ų222%0.02111%0.108CC..Hα-helixtrans-62.9-46.2178.3-66.6173.9000109.5T424 L432 C441 I444 L448 I474 S475 Y476 A482T424-I478 HydrophobicContact CG2-CG1 4.24Å; L432-I478 HydrophobicContact CD2-CD1 4.09Å; L432-I478 HydrophobicContact CD2-CG1 4.35Å; L432-I478 HydrophobicContact CD2-CG2 3.87Å; C441-I478 HydrophobicContact CB-CG2 3.78Å; C441-I478 WeakPolarHBondContact O-CG2 3.38Å; I444-I478 HydrophobicContact CG2-CD1 4.4Å; L448-I478 HydrophobicContact CD1-CD1 4.27Å; I474-I478 HydrophobicContact CG2-CD1 3.62Å; I474-I478 WeakPolarHBondContact O-CD1 3.4Å; I474-I478 WeakPolarHBondContact O-CG1 3.28Å; S475-I478 PolarHBondContact O-N 3.47Å; Y476-I478 PolarHBondContact O-N 3.44Å; I478-A482 VanDerWaalsContact O-CB 3.28Å; I478-A482 WeakPolarHBondContact O-CB 3.34Å; I478-A482 PolarHBondContact O-N 2.92Å
479L93.9Very high91.2Very high2 Ų226.7 Ų26.71%0.0113%0.128CC..Hα-helixtrans-60.8-52.8177.1-174.865.6000111.9V380 T384 Q442 S445 S475 Y476 P477 N481 A482 L483 M513V380-L479 HydrophobicContact CG1-CD1 4.01Å; T384-L479 HydrophobicContact CG2-CD2 3.35Å; Q442-L479 HydrophobicContact CG-CD1 4.24Å; S445-L479 WeakPolarHBondContact OG-CB 3.41Å; S475-L479 PolarHBondContact O-N 3.23Å; Y476-L479 PolarHBondContact O-N 2.87Å; P477-L479 VanDerWaalsContact C-N 3.35Å; L479-N481 VanDerWaalsContact C-N 3.33Å; L479-N481 PolarHBondContact O-N 3.47Å; L479-A482 PolarHBondContact O-N 3.28Å; L479-A482 VanDerWaalsContact O-N 3.16Å; L479-L483 HydrophobicContact CD1-CD1 4.16Å; L479-L483 HydrophobicContact CD1-CG 4.37Å; L479-L483 HydrophobicContact CD2-CD1 4.46Å; L479-L483 HydrophobicContact CG-CD1 3.86Å; L479-L483 HydrophobicContact CG-CG 4.42Å; L479-L483 WeakPolarHBondContact O-CG 3.38Å; L479-L483 PolarHBondContact O-N 3.45Å; L479-M513 HydrophobicContact CD2-CE 4.08Å
480M90.3Very high90.8Very high24 Ų2426.3 Ų26.312%0.11813%0.127CC..Hα-helixtrans-59.5-45.7-176.1-76.2-57.7-57.400110.8Y476 A482 L483 L484 M513 Y514Y476-M480 HydrophobicContact CD1-CG 4.42Å; Y476-M480 HydrophobicContact CD2-CG 4.35Å; Y476-M480 HydrophobicContact CE1-CG 4.03Å; Y476-M480 HydrophobicContact CE2-CG 3.98Å; Y476-M480 HydrophobicContact CE2-SD 4.41Å; Y476-M480 WeakPolarHBondContact O-CB 3.11Å; Y476-M480 WeakPolarHBondContact O-CG 3.12Å; Y476-M480 PolarHBondContact O-N 3.34Å; M480-A482 PolarHBondContact O-N 2.96Å; M480-L483 PolarHBondContact O-N 3.34Å; M480-L484 WeakPolarHBondContact O-CB 3.49Å; M480-L484 WeakPolarHBondContact O-CG 3.2Å; M480-L484 PolarHBondContact O-N 3.07Å; M480-M513 HydrophobicContact SD-CE 3.57Å; M480-M513 VanDerWaalsContact SD-CE 3.57Å; M480-M513 HydrophobicContact SD-SD 3.5Å; M480-Y514 PolarHBondContact SD-OH 3.08Å; M480-Y514 VanDerWaalsContact SD-OH 3.38Å
481N88.4Confident90.2Very high46 Ų4623.8 Ų23.825%0.24612%0.116CC..Hα-helixtrans-68.3-33.8177.8-79-11.3000113S429 V433 P477 L479 L485S429-N481 WeakPolarHBondContact CB-ND2 3.33Å; S429-N481 PolarHBondContact OG-ND2 3.44Å; V433-N481 HydrophobicContact CG2-CB 4.22Å; P477-N481 WeakPolarHBondContact O-CB 3.39Å; P477-N481 PolarHBondContact O-N 2.94Å; L479-N481 VanDerWaalsContact C-N 3.33Å; L479-N481 PolarHBondContact O-N 3.47Å; N481-L485 WeakPolarHBondContact O-CB 3.33Å; N481-L485 PolarHBondContact O-N 3.49Å
482A91.7Very high89.5Confident0 Ų029.5 Ų29.50%014%0.139CC..Hα-helixtrans-65.1-42.4174.100000112.3V433 A438 C441 Q442 I478 L479 M480 Q486V433-A482 HydrophobicContact CG2-CB 4.24Å; A438-A482 HydrophobicContact CB-CB 4.39Å; C441-A482 HydrophobicContact CB-CB 3.73Å; Q442-A482 HydrophobicContact CG-CB 4.11Å; I478-A482 VanDerWaalsContact O-CB 3.28Å; I478-A482 WeakPolarHBondContact O-CB 3.34Å; I478-A482 PolarHBondContact O-N 2.92Å; L479-A482 PolarHBondContact O-N 3.28Å; L479-A482 VanDerWaalsContact O-N 3.16Å; M480-A482 PolarHBondContact O-N 2.96Å; A482-Q486 PolarHBondContact O-N 3.35Å
483L92.3Very high88.6Confident0 Ų033.2 Ų33.20%016%0.158CC..Hα-helixtrans-67.3-43.2177-66.6169.6000111.4C377 V380 A381 L479 M480 L485 Q486 T487 L509 M513C377-L483 VanDerWaalsContact SG-CD2 3.52Å; V380-L483 HydrophobicContact CB-CD2 4.15Å; V380-L483 HydrophobicContact CG1-CD2 3.91Å; A381-L483 HydrophobicContact CB-CD1 4.31Å; L479-L483 HydrophobicContact CD1-CD1 4.16Å; L479-L483 HydrophobicContact CD1-CG 4.37Å; L479-L483 HydrophobicContact CD2-CD1 4.46Å; L479-L483 HydrophobicContact CG-CD1 3.86Å; L479-L483 HydrophobicContact CG-CG 4.42Å; L479-L483 WeakPolarHBondContact O-CG 3.38Å; L479-L483 PolarHBondContact O-N 3.45Å; M480-L483 PolarHBondContact O-N 3.34Å; L483-L485 PolarHBondContact O-N 2.91Å; L483-Q486 WeakPolarHBondContact O-CB 3.24Å; L483-Q486 PolarHBondContact O-N 3.16Å; L483-Q486 VanDerWaalsContact O-N 3.16Å; L483-T487 PolarHBondContact O-N 2.96Å; L483-L509 HydrophobicContact CB-CD1 4.2Å; L483-L509 HydrophobicContact CB-CD2 3.74Å; L483-L509 HydrophobicContact CD1-CD1 4.27Å; L483-L509 HydrophobicContact CD2-CD1 4.36Å; L483-M513 HydrophobicContact CD1-SD 4.29Å
484L87.5Confident87.4Confident45 Ų4537.1 Ų37.124%0.23618%0.175CC..Hα-helixtrans-61.2-42.9176.2-70.1172.4000111.5M480 Q486 T487 E488 Q506 L509M480-L484 WeakPolarHBondContact O-CB 3.49Å; M480-L484 WeakPolarHBondContact O-CG 3.2Å; M480-L484 PolarHBondContact O-N 3.07Å; L484-Q486 VanDerWaalsContact C-N 3.29Å; L484-Q486 PolarHBondContact O-N 3.05Å; L484-T487 PolarHBondContact O-N 2.84Å; L484-T487 VanDerWaalsContact O-N 3.15Å; L484-T487 PolarHBondContact O-OG1 2.74Å; L484-E488 PolarHBondContact O-N 2.73Å; L484-Q506 HydrophobicContact CD2-CB 4.46Å; L484-Q506 HydrophobicContact CD2-CG 3.77Å; L484-L509 HydrophobicContact CD2-CD2 4.36Å
485L86.5Confident85.6Confident43 Ų4338.8 Ų38.823%0.22518%0.182CC..Hα-helixtrans-60.6-38.3175-178.169.8000112.1V433 N481 L483 E488 K489V433-L485 HydrophobicContact CG1-CB 3.95Å; V433-L485 HydrophobicContact CG1-CD2 3.32Å; V433-L485 HydrophobicContact CG1-CG 4.18Å; N481-L485 WeakPolarHBondContact O-CB 3.33Å; N481-L485 PolarHBondContact O-N 3.49Å; L483-L485 PolarHBondContact O-N 2.91Å; L485-E488 PolarHBondContact O-N 3.36Å; L485-K489 WeakPolarHBondContact O-CG 3.38Å; L485-K489 PolarHBondContact O-N 2.89Å
486Q89.7Confident83.4Confident7 Ų747.4 Ų47.43%0.03323%0.228CC..Hα-helixtrans-64.6-41.5175.7-75.4179.3-19.400111.7T373 C377 A438 Q442 A482 L483 L484 E488 K489 V490T373-Q486 HydrophobicContact CG2-CB 4.39Å; T373-Q486 HydrophobicContact CG2-CG 4.42Å; C377-Q486 HydrophobicContact CB-CB 4.23Å; C377-Q486 VanDerWaalsContact CB-OE1 3.3Å; A438-Q486 HydrophobicContact CB-CG 3.57Å; Q442-Q486 VanDerWaalsContact NE2-CD 3.25Å; A482-Q486 PolarHBondContact O-N 3.35Å; L483-Q486 WeakPolarHBondContact O-CB 3.24Å; L483-Q486 PolarHBondContact O-N 3.16Å; L483-Q486 VanDerWaalsContact O-N 3.16Å; L484-Q486 VanDerWaalsContact C-N 3.29Å; L484-Q486 PolarHBondContact O-N 3.05Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.27Å; Q486-K489 PolarHBondContact O-N 3.49Å; Q486-V490 WeakPolarHBondContact O-CG2 3.41Å; Q486-V490 PolarHBondContact O-N 2.68Å; Q486-V490 VanDerWaalsContact O-N 3.09Å
487T86.1Confident81.3Confident0 Ų052.3 Ų52.30%025%0.253CS..Hα-helixtrans-62.5-38.7175.761.40000112.1M374 L483 L484 V490 S491 L505 L509M374-T487 HydrophobicContact CE-CG2 4.18Å; M374-T487 HydrophobicContact SD-CG2 3.99Å; L483-T487 PolarHBondContact O-N 2.96Å; L484-T487 PolarHBondContact O-N 2.84Å; L484-T487 VanDerWaalsContact O-N 3.15Å; L484-T487 PolarHBondContact O-OG1 2.74Å; T487-V490 PolarHBondContact O-N 3.15Å; T487-S491 PolarHBondContact O-N 3.04Å; T487-L505 HydrophobicContact CG2-CB 4.45Å; T487-L509 HydrophobicContact CG2-CB 4.32Å; T487-L509 HydrophobicContact CG2-CD2 3.83Å
488E84Confident79.5Confident69 Ų6958.3 Ų58.332%0.32229%0.285SS..Hα-helixtrans-63.5-48.3176.3-178178.3-17000111.6L484 L485 Q486 V490 S491 F492 L502L484-E488 PolarHBondContact O-N 2.73Å; L485-E488 PolarHBondContact O-N 3.36Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.27Å; E488-V490 VanDerWaalsContact C-N 3.33Å; E488-V490 PolarHBondContact O-N 3.42Å; E488-S491 WeakPolarHBondContact O-CB 3.33Å; E488-S491 PolarHBondContact O-N 2.97Å; E488-S491 VanDerWaalsContact O-N 3.11Å; E488-F492 HydrophobicContact CG-CD2 3.82Å; E488-F492 HydrophobicContact CG-CE2 3.37Å; E488-F492 HydrophobicContact CG-CZ 4.42Å; E488-F492 WeakPolarHBondContact O-CD2 3.33Å; E488-F492 PolarHBondContact O-N 3.43Å; E488-F492 VanDerWaalsContact O-N 3.1Å; E488-L502 HydrophobicContact CB-CD1 4.27Å
489K86Confident78Confident99 Ų9963.9 Ų63.943%0.4331%0.307SS..Hα-helixtrans-57.4-43.7176.3-73.4-179.7179.5-172.20112.7L485 Q486 S491 F492 E493L485-K489 WeakPolarHBondContact O-CG 3.38Å; L485-K489 PolarHBondContact O-N 2.89Å; Q486-K489 PolarHBondContact O-N 3.49Å; K489-S491 VanDerWaalsContact C-N 3.3Å; K489-S491 PolarHBondContact O-N 3.5Å; K489-F492 PolarHBondContact O-N 2.89Å; K489-E493 WeakPolarHBondContact O-CG 3.46Å; K489-E493 PolarHBondContact O-N 3.49Å
490V87.3Confident76.6Confident1 Ų168.5 Ų68.51%0.00633%0.328CS..Hα-helixtrans-65.7-35.3178.4173.30000111.7T367 S371 T373 M374 Q486 T487 E488 F492 L505T367-V490 HydrophobicContact CG2-CG1 4.08Å; S371-V490 WeakPolarHBondContact OG-CG2 3.27Å; T373-V490 HydrophobicContact CG2-CG2 3.84Å; M374-V490 HydrophobicContact CB-CG1 4.36Å; M374-V490 HydrophobicContact CB-CG2 4.28Å; Q486-V490 WeakPolarHBondContact O-CG2 3.41Å; Q486-V490 PolarHBondContact O-N 2.68Å; Q486-V490 VanDerWaalsContact O-N 3.09Å; T487-V490 PolarHBondContact O-N 3.15Å; E488-V490 VanDerWaalsContact C-N 3.33Å; E488-V490 PolarHBondContact O-N 3.42Å; V490-F492 VanDerWaalsContact C-N 3.34Å; V490-L505 HydrophobicContact CG1-CD1 4.29Å
491S81.9Confident76Confident17 Ų1767.7 Ų67.712%0.11932%0.324CS..Hα-helixtrans-63.8-40.1175.4-163.80000111.6T487 E488 K489T487-S491 PolarHBondContact O-N 3.04Å; E488-S491 WeakPolarHBondContact O-CB 3.33Å; E488-S491 PolarHBondContact O-N 2.97Å; E488-S491 VanDerWaalsContact O-N 3.11Å; K489-S491 VanDerWaalsContact C-N 3.3Å; K489-S491 PolarHBondContact O-N 3.5Å
492F81.2Confident75.5Confident128 Ų12865.6 Ų65.656%0.56131%0.313SS*.Hα-helixtrans-75.2-33179.3-72.1-59.4000114.2E488 K489 V490 K494E488-F492 HydrophobicContact CG-CD2 3.82Å; E488-F492 HydrophobicContact CG-CE2 3.37Å; E488-F492 HydrophobicContact CG-CZ 4.42Å; E488-F492 WeakPolarHBondContact O-CD2 3.33Å; E488-F492 PolarHBondContact O-N 3.43Å; E488-F492 VanDerWaalsContact O-N 3.1Å; K489-F492 PolarHBondContact O-N 2.89Å; V490-F492 VanDerWaalsContact C-N 3.34Å; F492-K494 VanDerWaalsContact C-N 3.31Å; F492-K494 PolarHBondContact O-N 3.41Å
493E76.8Confident74.5Confident116 Ų11668.5 Ų68.554%0.54234%0.337SS..Hα-helixtrans-68.4-25.9-178.7-77.5-176-177.500113.7K489 K563K489-E493 WeakPolarHBondContact O-CG 3.46Å; K489-E493 PolarHBondContact O-N 3.49Å; E493-K563 VanDerWaalsContact CD-NZ 3.32Å; E493-K563 IonicContact OE1-NZ 3.5Å; E493-K563 PolarHBondContact OE1-NZ 3.31Å; E493-K563 IonicContact OE2-NZ 2.54Å; E493-K563 PolarHBondContact OE2-NZ 2.91Å
494K67.3Low74Confident82 Ų8269.3 Ų69.336%0.35734%0.343SS..Hα-helixtrans-107.3-11.7-168.1-86.5178.8174.4-172.60116.1T367 F492T367-K494 HydrophobicContact CG2-CD 3.52Å; T367-K494 PolarHBondContact O-NZ 3.06Å; F492-K494 VanDerWaalsContact C-N 3.31Å; F492-K494 PolarHBondContact O-N 3.41Å
495M56.7Low73.8Confident82 Ų8267.2 Ų67.240%0.40433%0.332SS..  trans-142.9121.9179.1-68.7-164.5170.600111.6E497 I501M495-E497 WeakPolarHBondContact CB-O 3.35Å; M495-E497 PolarHBondContact O-N 3.44Å; M495-E497 VanDerWaalsContact O-N 3.12Å; M495-I501 HydrophobicContact CE-CD1 3.51Å; M495-I501 HydrophobicContact SD-CD1 3.51Å; M495-I501 VanDerWaalsContact SD-CD1 3.51Å; M495-I501 HydrophobicContact SD-CG1 4.41Å
496N49.8Very low73.7Confident182 Ų18267 Ų6797%0.97333%0.329SS*.SBendtrans-69.413162.1-84.5-15.4000112.5
497E46.6Very low73.1Confident150 Ų15068.4 Ų68.470%0.70134%0.342SS*.SBendtrans-132.2121.9179.5-70.2-178169.100108.6M495M495-E497 WeakPolarHBondContact CB-O 3.35Å; M495-E497 PolarHBondContact O-N 3.44Å; M495-E497 VanDerWaalsContact O-N 3.12Å
498D53.3Low73.1Confident128 Ų12869.2 Ų69.268%0.68435%0.347SS*.  trans22.4146.3164.4-62.3-26000121.2Q500D498-Q500 HydrophobicContact CB-CG 3.95Å; D498-Q500 PolarHBondContact O-N 3.31Å
499Y61.4Low73.4Confident121 Ų12165.9 Ų65.948%0.47533%0.331SS..THydrogen-bonded Turntrans-44.99.9175-152.2-104.2000117.8I501 L502Y499-I501 PolarHBondContact O-N 3.27Å; Y499-L502 HydrophobicContact CD1-CB 4.46Å; Y499-L502 HydrophobicContact CD1-CD2 4.19Å; Y499-L502 HydrophobicContact CD2-CD2 4.07Å; Y499-L502 HydrophobicContact CE1-CD2 3.6Å; Y499-L502 HydrophobicContact CE2-CD2 3.44Å; Y499-L502 VanDerWaalsContact CE2-CD2 3.44Å; Y499-L502 HydrophobicContact CG-CD2 4.42Å; Y499-L502 PolarHBondContact O-N 2.91Å; Y499-L502 WeakPolarHBondContact OH-CD2 3.37Å
500Q64.9Low73.4Confident98 Ų9862.4 Ų62.446%0.45832%0.318SS..THydrogen-bonded Turntrans-66.4-35.8-168.3-60.8179.9-000113.9H360 D498H360-Q500 PolarHBondContact CE1-OE1 2.93Å; H360-Q500 PolarHBondContact NE2-OE1 3.38Å; D498-Q500 HydrophobicContact CB-CG 3.95Å; D498-Q500 PolarHBondContact O-N 3.31Å
501I76.2Confident73.3Confident8 Ų862.9 Ų62.94%0.04132%0.321CS..THydrogen-bonded Turntrans-84.8-19.8-178.6-66.5-179.6000112.7K363 A364 M495 Y499 A503 S504 L505K363-I501 HydrophobicContact CB-CD1 4.26Å; A364-I501 HydrophobicContact CB-CG2 3.72Å; M495-I501 HydrophobicContact CE-CD1 3.51Å; M495-I501 HydrophobicContact SD-CD1 3.51Å; M495-I501 VanDerWaalsContact SD-CD1 3.51Å; M495-I501 HydrophobicContact SD-CG1 4.41Å; Y499-I501 PolarHBondContact O-N 3.27Å; I501-A503 PolarHBondContact O-N 2.68Å; I501-S504 WeakPolarHBondContact O-CB 3.4Å; I501-S504 PolarHBondContact O-N 2.97Å; I501-L505 HydrophobicContact CG2-CD1 3.91Å; I501-L505 HydrophobicContact CG2-CD2 4.48Å; I501-L505 HydrophobicContact CG2-CG 3.82Å; I501-L505 PolarHBondContact O-N 3.21Å
502L77.9Confident73.8Confident2 Ų263.1 Ų63.11%0.0132%0.322CS..Hα-helixtrans-57.8-46-173.1-178.761.4000112.8E488 Y499 S504 L505 Q506E488-L502 HydrophobicContact CB-CD1 4.27Å; Y499-L502 HydrophobicContact CD1-CB 4.46Å; Y499-L502 HydrophobicContact CD1-CD2 4.19Å; Y499-L502 HydrophobicContact CD2-CD2 4.07Å; Y499-L502 HydrophobicContact CE1-CD2 3.6Å; Y499-L502 HydrophobicContact CE2-CD2 3.44Å; Y499-L502 VanDerWaalsContact CE2-CD2 3.44Å; Y499-L502 HydrophobicContact CG-CD2 4.42Å; Y499-L502 PolarHBondContact O-N 2.91Å; Y499-L502 WeakPolarHBondContact OH-CD2 3.37Å; L502-S504 PolarHBondContact O-N 2.91Å; L502-L505 PolarHBondContact O-N 2.94Å; L502-L505 VanDerWaalsContact O-N 3.13Å; L502-Q506 HydrophobicContact CD1-CG 4.28Å; L502-Q506 HydrophobicContact CG-CG 4.41Å; L502-Q506 WeakPolarHBondContact O-CG 3.38Å; L502-Q506 PolarHBondContact O-N 2.93Å
503A71.9Confident74.3Confident61 Ų6157 Ų5750%0.50430%0.295SS..Hα-helixtrans-59.1-38.3178.600000111.8I501 Q506 A507I501-A503 PolarHBondContact O-N 2.68Å; A503-Q506 PolarHBondContact O-N 3.3Å; A503-A507 WeakPolarHBondContact O-CB 3.3Å; A503-A507 PolarHBondContact O-N 2.89Å
504S81.2Confident74.8Confident17 Ų1753.6 Ų53.612%0.11928%0.278CS..Hα-helixtrans-69.2-39.5176.3-65.60000112I501 L502 A507 I508I501-S504 WeakPolarHBondContact O-CB 3.4Å; I501-S504 PolarHBondContact O-N 2.97Å; L502-S504 PolarHBondContact O-N 2.91Å; S504-A507 PolarHBondContact O-N 3.13Å; S504-I508 WeakPolarHBondContact O-CG1 3.41Å; S504-I508 PolarHBondContact O-N 3.11Å
505L84Confident75.8Confident0 Ų049.7 Ų49.70%026%0.261CS..Hα-helixtrans-64.3-40.4175.2-69.2171.3000112T367 A368 M374 T487 V490 I501 L502 A507 I508 L509T367-L505 HydrophobicContact CG2-CD2 4.49Å; A368-L505 HydrophobicContact CB-CD2 3.94Å; M374-L505 HydrophobicContact CE-CB 4.21Å; M374-L505 HydrophobicContact CE-CD2 3.98Å; M374-L505 HydrophobicContact CG-CD2 4.48Å; M374-L505 HydrophobicContact SD-CD2 4.39Å; T487-L505 HydrophobicContact CG2-CB 4.45Å; V490-L505 HydrophobicContact CG1-CD1 4.29Å; I501-L505 HydrophobicContact CG2-CD1 3.91Å; I501-L505 HydrophobicContact CG2-CD2 4.48Å; I501-L505 HydrophobicContact CG2-CG 3.82Å; I501-L505 PolarHBondContact O-N 3.21Å; L502-L505 PolarHBondContact O-N 2.94Å; L502-L505 VanDerWaalsContact O-N 3.13Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-I508 PolarHBondContact O-N 3.49Å; L505-L509 WeakPolarHBondContact O-CB 3.43Å; L505-L509 PolarHBondContact O-N 3.31Å
506Q82.9Confident77.5Confident38 Ų3849.9 Ų49.918%0.17826%0.263CS..Hα-helixtrans-65.9-37174.5-68.8177.3-9.700111.9L484 L502 A503 L509 T510L484-Q506 HydrophobicContact CD2-CB 4.46Å; L484-Q506 HydrophobicContact CD2-CG 3.77Å; L502-Q506 HydrophobicContact CD1-CG 4.28Å; L502-Q506 HydrophobicContact CG-CG 4.41Å; L502-Q506 WeakPolarHBondContact O-CG 3.38Å; L502-Q506 PolarHBondContact O-N 2.93Å; A503-Q506 PolarHBondContact O-N 3.3Å; Q506-L509 PolarHBondContact O-N 3.03Å; Q506-T510 WeakPolarHBondContact O-CB 3.27Å; Q506-T510 WeakPolarHBondContact O-CG2 3.41Å; Q506-T510 PolarHBondContact O-N 2.95Å; Q506-T510 PolarHBondContact O-OG1 3.3Å
507A78.1Confident79.6Confident37 Ų3741.2 Ų41.231%0.30622%0.217SC..Hα-helixtrans-64.6-42.9173.800000111.8A503 S504 L505 T510 S511A503-A507 WeakPolarHBondContact O-CB 3.3Å; A503-A507 PolarHBondContact O-N 2.89Å; S504-A507 PolarHBondContact O-N 3.13Å; L505-A507 VanDerWaalsContact C-N 3.34Å; A507-T510 PolarHBondContact O-OG1 3.38Å; A507-S511 WeakPolarHBondContact O-CB 3.47Å; A507-S511 PolarHBondContact O-N 3.26Å; A507-S511 PolarHBondContact O-OG 3.28Å
508I87Confident81.8Confident17 Ų1734.4 Ų34.49%0.08719%0.186CC..Hα-helixtrans-61.5-48.7174.4-64.9167.1000109.7F361 A364 L365 A368 L378 S504 L505 T510 S511 T512F361-I508 HydrophobicContact CE2-CD1 4.26Å; F361-I508 HydrophobicContact CE2-CG1 3.86Å; F361-I508 HydrophobicContact CZ-CG1 4.34Å; A364-I508 HydrophobicContact CB-CD1 4.34Å; L365-I508 HydrophobicContact CB-CD1 4.45Å; L365-I508 HydrophobicContact CD1-CD1 4.43Å; A368-I508 HydrophobicContact CB-CD1 4.32Å; L378-I508 HydrophobicContact CD1-CG2 4.36Å; L378-I508 HydrophobicContact CD2-CG2 3.92Å; S504-I508 WeakPolarHBondContact O-CG1 3.41Å; S504-I508 PolarHBondContact O-N 3.11Å; L505-I508 PolarHBondContact O-N 3.49Å; I508-T510 PolarHBondContact O-N 3.27Å; I508-S511 PolarHBondContact O-N 3.1Å; I508-T512 PolarHBondContact O-N 3.11Å; I508-T512 PolarHBondContact O-OG1 3.04Å; I508-T512 VanDerWaalsContact O-OG1 3.09Å
509L88.8Confident83.7Confident0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-53.8-54177.9172.165.8000112.5A381 L483 L484 T487 L505 Q506 S511 T512 M513A381-L509 HydrophobicContact CB-CD1 3.45Å; A381-L509 VanDerWaalsContact CB-CD1 3.45Å; L483-L509 HydrophobicContact CB-CD1 4.2Å; L483-L509 HydrophobicContact CB-CD2 3.74Å; L483-L509 HydrophobicContact CD1-CD1 4.27Å; L483-L509 HydrophobicContact CD2-CD1 4.36Å; L484-L509 HydrophobicContact CD2-CD2 4.36Å; T487-L509 HydrophobicContact CG2-CB 4.32Å; T487-L509 HydrophobicContact CG2-CD2 3.83Å; L505-L509 WeakPolarHBondContact O-CB 3.43Å; L505-L509 PolarHBondContact O-N 3.31Å; Q506-L509 PolarHBondContact O-N 3.03Å; L509-S511 VanDerWaalsContact C-N 3.31Å; L509-S511 PolarHBondContact O-N 3.45Å; L509-T512 PolarHBondContact O-N 3.06Å; L509-M513 WeakPolarHBondContact O-CB 3.18Å; L509-M513 PolarHBondContact O-N 3Å
510T86.5Confident85.3Confident25 Ų2526 Ų2615%0.15315%0.149CC..Hα-helixtrans-68.2-31.7-178.452.60000112.2Q506 A507 I508 M513 Y514Q506-T510 WeakPolarHBondContact O-CB 3.27Å; Q506-T510 WeakPolarHBondContact O-CG2 3.41Å; Q506-T510 PolarHBondContact O-N 2.95Å; Q506-T510 PolarHBondContact O-OG1 3.3Å; A507-T510 PolarHBondContact O-OG1 3.38Å; I508-T510 PolarHBondContact O-N 3.27Å; T510-M513 PolarHBondContact O-N 2.88Å; T510-Y514 WeakPolarHBondContact O-CD2 3.38Å; T510-Y514 PolarHBondContact O-N 2.95Å
511S85.5Confident86.8Confident11 Ų1121.4 Ų21.48%0.07713%0.128CC..Hα-helixtrans-69.1-37173.7-590000111.8A507 I508 L509 G515 L516A507-S511 WeakPolarHBondContact O-CB 3.47Å; A507-S511 PolarHBondContact O-N 3.26Å; A507-S511 PolarHBondContact O-OG 3.28Å; I508-S511 PolarHBondContact O-N 3.1Å; L509-S511 VanDerWaalsContact C-N 3.31Å; L509-S511 PolarHBondContact O-N 3.45Å; S511-G515 CarbonylContact O-C 3.5Å; S511-G515 WeakPolarHBondContact O-CA 3.31Å; S511-G515 PolarHBondContact O-N 3.48Å; S511-L516 PolarHBondContact O-N 2.78Å
512T91.5Very high87.7Confident22 Ų2221 Ų2114%0.13513%0.126CC..Iπ-helixtrans-65.7-42.3172.4-60.20000111.4L378 F382 I508 L509 S517L378-T512 HydrophobicContact CD2-CG2 4.42Å; F382-T512 HydrophobicContact CB-CG2 3.82Å; F382-T512 HydrophobicContact CD2-CG2 4.3Å; I508-T512 PolarHBondContact O-N 3.11Å; I508-T512 PolarHBondContact O-OG1 3.04Å; I508-T512 VanDerWaalsContact O-OG1 3.09Å; L509-T512 PolarHBondContact O-N 3.06Å; T512-S517 WeakPolarHBondContact O-CB 3.32Å; T512-S517 PolarHBondContact O-N 3.37Å; T512-S517 PolarHBondContact O-OG 3.12Å
513M91.4Very high88.5Confident0 Ų022.9 Ų22.90%014%0.136CC..Iπ-helixtrans-78.5-37.3-174.7-170.4176.5169.900115.1A381 I388 Y476 L479 M480 L483 L509 T510 S517 S518A381-M513 HydrophobicContact CB-CB 4.27Å; I388-M513 HydrophobicContact CD1-CE 3.09Å; Y476-M513 HydrophobicContact CE2-CE 4.13Å; L479-M513 HydrophobicContact CD2-CE 4.08Å; M480-M513 HydrophobicContact SD-CE 3.57Å; M480-M513 VanDerWaalsContact SD-CE 3.57Å; M480-M513 HydrophobicContact SD-SD 3.5Å; L483-M513 HydrophobicContact CD1-SD 4.29Å; L509-M513 WeakPolarHBondContact O-CB 3.18Å; L509-M513 PolarHBondContact O-N 3Å; T510-M513 PolarHBondContact O-N 2.88Å; M513-S517 WeakPolarHBondContact CA-OG 3.49Å; M513-S517 PolarHBondContact O-OG 2.96Å; M513-S518 PolarHBondContact O-OG 2.8Å
514Y87.9Confident89.7Confident45 Ų4523.7 Ų23.718%0.17613%0.131CC..Iπ-helixtrans-114.1-5.7-177.2-57.5-69.1000113.9I388 Y476 M480 T510 S518I388-Y514 HydrophobicContact CG2-CE1 4.25Å; Y476-Y514 HydrophobicContact CE2-CE1 4.45Å; Y476-Y514 WeakPolarHBondContact CE2-OH 2.99Å; Y476-Y514 PolarHBondContact OH-OH 3.06Å; M480-Y514 PolarHBondContact SD-OH 3.08Å; M480-Y514 VanDerWaalsContact SD-OH 3.38Å; T510-Y514 WeakPolarHBondContact O-CD2 3.38Å; T510-Y514 PolarHBondContact O-N 2.95Å; Y514-S518 WeakPolarHBondContact CA-OG 3.17Å; Y514-S518 WeakPolarHBondContact O-CB 3.38Å; Y514-S518 PolarHBondContact O-OG 3.11Å
515G88.5Confident90.4Very high0 Ų023.4 Ų23.40%013%0.127CC..Iπ-helixtrans-108-79.8177.100000110.2S511 S517 S518 S519S511-G515 CarbonylContact O-C 3.5Å; S511-G515 WeakPolarHBondContact O-CA 3.31Å; S511-G515 PolarHBondContact O-N 3.48Å; G515-S517 PolarHBondContact O-N 2.71Å; G515-S518 PolarHBondContact O-N 3.3Å; G515-S519 PolarHBondContact O-N 2.8Å; G515-S519 PolarHBondContact O-OG 3.18Å
516L91.7Very high90.9Very high86 Ų8623.4 Ų23.445%0.4513%0.127SC..Iπ-helixtrans-62.4-45.8-171.9-178.862.6000113.5F382 S511 S519 L520F382-L516 HydrophobicContact CD2-CD2 4.33Å; F382-L516 HydrophobicContact CD2-CG 4.4Å; F382-L516 HydrophobicContact CE2-CD2 4.28Å; F382-L516 HydrophobicContact CE2-CG 4.1Å; S511-L516 PolarHBondContact O-N 2.78Å; L516-S519 PolarHBondContact O-OG 3.27Å; L516-L520 PolarHBondContact O-N 3.27Å
517S95.1Very high91.5Very high0 Ų024.4 Ų24.40%013%0.133CC..Hα-helixtrans-73.5-33.8177.654.10000112.1F382 G385 L386 T512 M513 G515 S519 G521F382-S517 VanDerWaalsContact O-CB 3.24Å; F382-S517 WeakPolarHBondContact O-CB 3.42Å; G385-S517 WeakPolarHBondContact CA-OG 3.42Å; L386-S517 WeakPolarHBondContact CD2-O 3.2Å; T512-S517 WeakPolarHBondContact O-CB 3.32Å; T512-S517 PolarHBondContact O-N 3.37Å; T512-S517 PolarHBondContact O-OG 3.12Å; M513-S517 WeakPolarHBondContact CA-OG 3.49Å; M513-S517 PolarHBondContact O-OG 2.96Å; G515-S517 PolarHBondContact O-N 2.71Å; S517-S519 VanDerWaalsContact C-N 3.35Å; S517-S519 PolarHBondContact O-N 2.9Å; S517-G521 WeakPolarHBondContact O-CA 3.3Å; S517-G521 PolarHBondContact O-N 2.91Å
518S92.6Very high92.3Very high6 Ų624.6 Ų24.64%0.04213%0.129CC..Hα-helixtrans-69-31.3176.1-55.70000113.3N54 S389 M513 Y514 G515 G522N54-S518 PolarHBondContact ND2-O 2.94Å; S389-S518 PolarHBondContact OG-O 3.15Å; M513-S518 PolarHBondContact O-OG 2.8Å; Y514-S518 WeakPolarHBondContact CA-OG 3.17Å; Y514-S518 WeakPolarHBondContact O-CB 3.38Å; Y514-S518 PolarHBondContact O-OG 3.11Å; G515-S518 PolarHBondContact O-N 3.3Å; S518-G522 PolarHBondContact O-N 3.17Å
519S93.4Very high92.7Very high7 Ų724.7 Ų24.75%0.04913%0.129CC..Hα-helixtrans-69.8-48174.666.30000111.9L51 G515 L516 S517 L523L51-S519 WeakPolarHBondContact CA-O 3.07Å; L51-S519 VanDerWaalsContact CD1-O 3.31Å; L51-S519 WeakPolarHBondContact CD1-O 3.44Å; L51-S519 VanDerWaalsContact O-CB 3.32Å; L51-S519 WeakPolarHBondContact O-CB 3.36Å; G515-S519 PolarHBondContact O-N 2.8Å; G515-S519 PolarHBondContact O-OG 3.18Å; L516-S519 PolarHBondContact O-OG 3.27Å; S517-S519 VanDerWaalsContact C-N 3.35Å; S517-S519 PolarHBondContact O-N 2.9Å; S519-L523 PolarHBondContact O-N 3.33Å
520L95.5Very high92.7Very high67 Ų6729.4 Ų29.435%0.35115%0.151SC..Hα-helixtrans-69.5-42.3177.2-69.1176.4000112.3L51 F382 L386 L516 G522 L523 I524L51-L520 HydrophobicContact CD1-CD2 4.43Å; F382-L520 HydrophobicContact CE2-CD1 3.96Å; F382-L520 HydrophobicContact CZ-CD1 3.83Å; L386-L520 HydrophobicContact CD2-CB 4.24Å; L516-L520 PolarHBondContact O-N 3.27Å; L520-G522 VanDerWaalsContact C-N 3.34Å; L520-G522 PolarHBondContact O-N 3.27Å; L520-L523 PolarHBondContact O-N 3.22Å; L520-I524 HydrophobicContact CB-CD1 4.45Å; L520-I524 WeakPolarHBondContact O-CB 3.33Å; L520-I524 WeakPolarHBondContact O-CD1 3.18Å; L520-I524 VanDerWaalsContact O-CG1 3.24Å; L520-I524 WeakPolarHBondContact O-CG1 3.36Å; L520-I524 PolarHBondContact O-N 3.32Å
521G95.8Very high92.9Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-59.6-44.8177.800000111.6S389 S517 L523 I524 W525S389-G521 VanDerWaalsContact OG-C 3.31Å; S517-G521 WeakPolarHBondContact O-CA 3.3Å; S517-G521 PolarHBondContact O-N 2.91Å; G521-L523 VanDerWaalsContact C-N 3.32Å; G521-L523 PolarHBondContact O-N 3.47Å; G521-I524 PolarHBondContact O-N 3.35Å; G521-W525 WeakPolarHBondContact O-CB 3.38Å; G521-W525 PolarHBondContact O-N 3.12Å
522G93.8Very high93.3Very high0 Ų040.5 Ų40.50%019%0.193CC..Hα-helixtrans-54.7-46.8176.500000112.3G47 S389 Y394 S518 L520 G526G47-G522 WeakPolarHBondContact CA-O 3.39Å; S389-G522 PolarHBondContact OG-N 3.32Å; Y394-G522 VanDerWaalsContact CE2-O 3.24Å; Y394-G522 WeakPolarHBondContact CE2-O 3.48Å; Y394-G522 PolarHBondContact OH-O 3.42Å; S518-G522 PolarHBondContact O-N 3.17Å; L520-G522 VanDerWaalsContact C-N 3.34Å; L520-G522 PolarHBondContact O-N 3.27Å; G522-G526 PolarHBondContact O-N 3.21Å; G522-G526 VanDerWaalsContact O-N 3.12Å
523L96Very high93.3Very high42 Ų4247.9 Ų47.922%0.2222%0.223CC..Hα-helixtrans-66.6-49.2176.6-179.465.4000112.4I48 L51 S519 L520 G521 W525 G526 L527I48-L523 HydrophobicContact CG1-CD1 4.48Å; L51-L523 HydrophobicContact CB-CB 4.33Å; L51-L523 HydrophobicContact CD2-CD2 4.15Å; S519-L523 PolarHBondContact O-N 3.33Å; L520-L523 PolarHBondContact O-N 3.22Å; G521-L523 VanDerWaalsContact C-N 3.32Å; G521-L523 PolarHBondContact O-N 3.47Å; L523-W525 PolarHBondContact O-N 3.42Å; L523-G526 PolarHBondContact O-N 3.49Å; L523-L527 HydrophobicContact CD1-CD1 4.1Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 2.6Å
524I96.3Very high93.3Very high78 Ų7848.1 Ų48.140%0.423%0.225SC..Hα-helixtrans-59.8-48.9-175.6-70.1164.7000110.4L386 L520 G521 L527 L528L386-I524 HydrophobicContact CD2-CD1 4.35Å; L520-I524 HydrophobicContact CB-CD1 4.45Å; L520-I524 WeakPolarHBondContact O-CB 3.33Å; L520-I524 WeakPolarHBondContact O-CD1 3.18Å; L520-I524 VanDerWaalsContact O-CG1 3.24Å; L520-I524 WeakPolarHBondContact O-CG1 3.36Å; L520-I524 PolarHBondContact O-N 3.32Å; G521-I524 PolarHBondContact O-N 3.35Å; I524-L527 PolarHBondContact O-N 3.41Å; I524-L528 HydrophobicContact CG2-CD1 3.96Å; I524-L528 WeakPolarHBondContact O-CG 3.42Å; I524-L528 PolarHBondContact O-N 3.14Å
525W96.3Very high93.5Very high10 Ų1052.1 Ų52.14%0.03824%0.24CC..Hα-helixtrans-68.7-34.7-180-64.4120.9000112.3L386 I387 F390 Y394 G521 L523 L528 L529 L537 I540 A541L386-W525 PolarHBondContact O-NE1 2.91Å; I387-W525 HydrophobicContact CD1-CH2 4.41Å; I387-W525 HydrophobicContact CD1-CZ2 3.92Å; F390-W525 HydrophobicContact CB-CD2 4.01Å; F390-W525 HydrophobicContact CB-CG 3.99Å; F390-W525 HydrophobicContact CB-CZ2 4.32Å; F390-W525 HydrophobicContact CD2-CB 4.1Å; F390-W525 AromaticContact CD2-CD2 3.67Å; F390-W525 HydrophobicContact CD2-CD2 3.67Å; F390-W525 AromaticContact CD2-CE3 3.85Å; F390-W525 HydrophobicContact CD2-CE3 3.85Å; F390-W525 AromaticContact CD2-CG 3.77Å; F390-W525 HydrophobicContact CD2-CG 3.77Å; F390-W525 HydrophobicContact CE2-CE3 4.34Å; F390-W525 HydrophobicContact CG-CD2 4.16Å; F390-W525 HydrophobicContact CG-CG 4.34Å; Y394-W525 HydrophobicContact CD2-CB 3.53Å; Y394-W525 HydrophobicContact CE2-CB 3.74Å; Y394-W525 HydrophobicContact CG-CB 4.28Å; G521-W525 WeakPolarHBondContact O-CB 3.38Å; G521-W525 PolarHBondContact O-N 3.12Å; L523-W525 PolarHBondContact O-N 3.42Å; W525-L528 HydrophobicContact CD2-CD1 4.48Å; W525-L528 HydrophobicContact CE3-CD1 3.61Å; W525-L528 HydrophobicContact CZ3-CD1 3.72Å; W525-L528 PolarHBondContact O-N 3.33Å; W525-L529 WeakPolarHBondContact O-CB 3.4Å; W525-L529 PolarHBondContact O-N 3.15Å; W525-L537 HydrophobicContact CE3-CD2 4.23Å; W525-I540 HydrophobicContact CH2-CG2 4.13Å; W525-I540 HydrophobicContact CZ3-CG2 3.99Å; W525-A541 HydrophobicContact CH2-CB 4.21Å
526G94.5Very high93.8Very high0 Ų054.8 Ų54.80%026%0.256CS..Hα-helixtrans-62.1-4417300000113.4S43 Y394 G522 L523 L529 Q530S43-G526 WeakPolarHBondContact O-CA 3.31Å; Y394-G526 WeakPolarHBondContact OH-CA 3.49Å; Y394-G526 PolarHBondContact OH-N 3.41Å; G522-G526 PolarHBondContact O-N 3.21Å; G522-G526 VanDerWaalsContact O-N 3.12Å; L523-G526 PolarHBondContact O-N 3.49Å; G526-L529 PolarHBondContact O-N 3.43Å; G526-Q530 PolarHBondContact O-N 3.43Å
527L95.3Very high94Very high60 Ų6050.7 Ų50.731%0.31424%0.235SC..Hα-helixtrans-64.1-45.8174.2-74.9169.3000111.4Y44 L523 I524 L529 Q530 Y531Y44-L527 HydrophobicContact CD2-CD2 3.5Å; Y44-L527 VanDerWaalsContact CD2-CD2 3.5Å; Y44-L527 HydrophobicContact CD2-CG 4.32Å; Y44-L527 HydrophobicContact CE2-CD2 3.8Å; L523-L527 HydrophobicContact CD1-CD1 4.1Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CG 3.26Å; L523-L527 PolarHBondContact O-N 2.6Å; I524-L527 PolarHBondContact O-N 3.41Å; L527-L529 VanDerWaalsContact C-N 3.29Å; L527-L529 PolarHBondContact O-N 3.2Å; L527-Q530 WeakPolarHBondContact O-CB 3.2Å; L527-Q530 PolarHBondContact O-N 3.19Å; L527-Q530 VanDerWaalsContact O-N 3.16Å; L527-Y531 WeakPolarHBondContact O-CD2 3.37Å
528L95.5Very high94Very high41 Ų4150.7 Ų50.722%0.21524%0.235CC..Hα-helixtrans-61.5-37.9177.6-72.4172000111.9I524 W525 Q530 Y531 F532 L537I524-L528 HydrophobicContact CG2-CD1 3.96Å; I524-L528 WeakPolarHBondContact O-CG 3.42Å; I524-L528 PolarHBondContact O-N 3.14Å; W525-L528 HydrophobicContact CD2-CD1 4.48Å; W525-L528 HydrophobicContact CE3-CD1 3.61Å; W525-L528 HydrophobicContact CZ3-CD1 3.72Å; W525-L528 PolarHBondContact O-N 3.33Å; L528-Q530 PolarHBondContact O-N 3.4Å; L528-Y531 PolarHBondContact O-N 2.99Å; L528-F532 HydrophobicContact CB-CD2 4.39Å; L528-F532 HydrophobicContact CD2-CD2 3.77Å; L528-F532 HydrophobicContact CD2-CE2 3.65Å; L528-F532 WeakPolarHBondContact O-CB 3.48Å; L528-F532 WeakPolarHBondContact O-CD2 3.41Å; L528-F532 PolarHBondContact O-N 3.49Å; L528-L537 HydrophobicContact CB-CD2 4.04Å; L528-L537 HydrophobicContact CB-CG 4.37Å
529L93.9Very high94.2Very high18 Ų1854.1 Ų54.19%0.09425%0.249CC..Hα-helixtrans-67.7-22.6178.8-172.560.7000113.1S43 Y394 L397 I398 I402 W525 G526 L527 L537S43-L529 WeakPolarHBondContact OG-CD2 3.41Å; Y394-L529 HydrophobicContact CD1-CD2 3.68Å; Y394-L529 HydrophobicContact CE1-CD2 4.08Å; L397-L529 HydrophobicContact CD2-CD2 4.03Å; I398-L529 HydrophobicContact CD1-CD1 4.07Å; I398-L529 HydrophobicContact CD1-CD2 4.49Å; I398-L529 HydrophobicContact CG1-CD1 4.1Å; I398-L529 HydrophobicContact CG1-CD2 4.19Å; I402-L529 HydrophobicContact CD1-CD1 4.29Å; W525-L529 WeakPolarHBondContact O-CB 3.4Å; W525-L529 PolarHBondContact O-N 3.15Å; G526-L529 PolarHBondContact O-N 3.43Å; L527-L529 VanDerWaalsContact C-N 3.29Å; L527-L529 PolarHBondContact O-N 3.2Å; L529-L537 HydrophobicContact CB-CD1 4.46Å; L529-L537 HydrophobicContact CB-CD2 3.88Å; L529-L537 HydrophobicContact CD1-CD1 3.86Å; L529-L537 HydrophobicContact CD1-CD2 4.19Å
530Q90Very high94.4Very high99 Ų9956 Ų5646%0.46326%0.258SS..Hα-helixtrans-73.3-34.7174.6-172.4176.67.200112.5G526 L527 L528G526-Q530 PolarHBondContact O-N 3.43Å; L527-Q530 WeakPolarHBondContact O-CB 3.2Å; L527-Q530 PolarHBondContact O-N 3.19Å; L527-Q530 VanDerWaalsContact O-N 3.16Å; L528-Q530 PolarHBondContact O-N 3.4Å
531Y91.1Very high94.5Very high175 Ų17552.9 Ų52.969%0.68624%0.241SC*.Hα-helixtrans-99.4-27.6-175.5-63.6-71.6000113.6L527 L528L527-Y531 WeakPolarHBondContact O-CD2 3.37Å; L528-Y531 PolarHBondContact O-N 2.99Å
532F93.9Very high94.5Very high95 Ų9554.9 Ų54.942%0.41725%0.25SS..SBendtrans-115.1149.1-174.5-63.5-75.5000112.2L528 T536 L537 I540L528-F532 HydrophobicContact CB-CD2 4.39Å; L528-F532 HydrophobicContact CD2-CD2 3.77Å; L528-F532 HydrophobicContact CD2-CE2 3.65Å; L528-F532 WeakPolarHBondContact O-CB 3.48Å; L528-F532 WeakPolarHBondContact O-CD2 3.41Å; L528-F532 PolarHBondContact O-N 3.49Å; F532-T536 HydrophobicContact CB-CG2 4.27Å; F532-T536 HydrophobicContact CD1-CG2 3.9Å; F532-T536 HydrophobicContact CG-CG2 4.33Å; F532-L537 HydrophobicContact CB-CD1 3.75Å; F532-L537 WeakPolarHBondContact O-CD1 3.39Å; F532-I540 HydrophobicContact CD2-CD1 4.44Å
533K91.4Very high94.7Very high176 Ų17658.1 Ų58.177%0.76527%0.267SS*.  trans-68.3150.3172.5-64.6-178.9179.1179.90110.5R535 T536 L537K533-R535 VanDerWaalsContact C-N 3.32Å; K533-R535 PolarHBondContact O-N 3.49Å; K533-R535 VanDerWaalsContact O-N 3.15Å; K533-T536 WeakPolarHBondContact O-CA 3.34Å; K533-T536 WeakPolarHBondContact O-CB 3.49Å; K533-T536 PolarHBondContact O-N 2.84Å; K533-L537 VanDerWaalsContact O-CD1 3.3Å; K533-L537 WeakPolarHBondContact O-CD1 3.45Å; K533-L537 PolarHBondContact O-N 3.37Å
534A90.4Very high94.7Very high5 Ų558.3 Ų58.34%0.04127%0.265CS..Hα-helixtrans-46.8-46.4178.900000115I398 I402 Y403 T536 L537 Y538I398-A534 HydrophobicContact CG2-CB 3.56Å; I402-A534 HydrophobicContact CD1-CB 3.76Å; I402-A534 HydrophobicContact CG2-CB 4.02Å; Y403-A534 HydrophobicContact CE2-CB 3.93Å; A534-T536 VanDerWaalsContact C-N 3.29Å; A534-T536 PolarHBondContact O-N 3.28Å; A534-L537 WeakPolarHBondContact O-CB 3.43Å; A534-L537 PolarHBondContact O-N 3.07Å; A534-L537 VanDerWaalsContact O-N 3.14Å; A534-Y538 VanDerWaalsContact O-CD2 3.28Å; A534-Y538 WeakPolarHBondContact O-CD2 3.19Å; A534-Y538 PolarHBondContact O-N 2.93Å
535R93Very high94.7Very high129 Ų12954.6 Ų54.649%0.48725%0.246SC..Hα-helixtrans-59.5-39.3177.5-71.7-168.8-179.8-175.21.5112.8Y403 K533 L537 Y538 F539Y403-R535 WeakPolarHBondContact OH-CG 3.42Å; K533-R535 VanDerWaalsContact C-N 3.32Å; K533-R535 PolarHBondContact O-N 3.49Å; K533-R535 VanDerWaalsContact O-N 3.15Å; R535-L537 VanDerWaalsContact C-N 3.31Å; R535-L537 PolarHBondContact O-N 3.4Å; R535-Y538 PolarHBondContact O-N 2.98Å; R535-F539 PolarHBondContact O-N 3.47Å
536T94.5Very high94.7Very high56 Ų5655.8 Ų55.834%0.34426%0.256SS..Hα-helixtrans-66.9-34.6178.1-520000111.1F532 K533 A534 F539 I540F532-T536 HydrophobicContact CB-CG2 4.27Å; F532-T536 HydrophobicContact CD1-CG2 3.9Å; F532-T536 HydrophobicContact CG-CG2 4.33Å; K533-T536 WeakPolarHBondContact O-CA 3.34Å; K533-T536 WeakPolarHBondContact O-CB 3.49Å; K533-T536 PolarHBondContact O-N 2.84Å; A534-T536 VanDerWaalsContact C-N 3.29Å; A534-T536 PolarHBondContact O-N 3.28Å; T536-F539 WeakPolarHBondContact O-CB 3.31Å; T536-F539 PolarHBondContact O-N 2.83Å; T536-I540 HydrophobicContact CG2-CD1 4.17Å; T536-I540 VanDerWaalsContact O-CG1 3.24Å; T536-I540 WeakPolarHBondContact O-CG1 3.25Å; T536-I540 PolarHBondContact O-N 3.36Å
537L95.3Very high94.9Very high0 Ų060.2 Ų60.20%028%0.278CS..Hα-helixtrans-64.4-44.8173.8-82.192.7000112.4F390 W525 L528 L529 F532 K533 A534 R535 F539 I540 A541F390-L537 HydrophobicContact CE2-CB 4.19Å; F390-L537 HydrophobicContact CE2-CD2 4.06Å; F390-L537 HydrophobicContact CZ-CB 4.35Å; W525-L537 HydrophobicContact CE3-CD2 4.23Å; L528-L537 HydrophobicContact CB-CD2 4.04Å; L528-L537 HydrophobicContact CB-CG 4.37Å; L529-L537 HydrophobicContact CB-CD1 4.46Å; L529-L537 HydrophobicContact CB-CD2 3.88Å; L529-L537 HydrophobicContact CD1-CD1 3.86Å; L529-L537 HydrophobicContact CD1-CD2 4.19Å; F532-L537 HydrophobicContact CB-CD1 3.75Å; F532-L537 WeakPolarHBondContact O-CD1 3.39Å; K533-L537 VanDerWaalsContact O-CD1 3.3Å; K533-L537 WeakPolarHBondContact O-CD1 3.45Å; K533-L537 PolarHBondContact O-N 3.37Å; A534-L537 WeakPolarHBondContact O-CB 3.43Å; A534-L537 PolarHBondContact O-N 3.07Å; A534-L537 VanDerWaalsContact O-N 3.14Å; R535-L537 VanDerWaalsContact C-N 3.31Å; R535-L537 PolarHBondContact O-N 3.4Å; L537-F539 VanDerWaalsContact C-N 3.27Å; L537-F539 PolarHBondContact O-N 3.43Å; L537-I540 PolarHBondContact O-N 3.49Å; L537-A541 PolarHBondContact O-N 3.35Å
538Y96.4Very high94.9Very high1 Ų157.4 Ų57.40%0.00426%0.264CS..Hα-helixtrans-60.9-38.9174.9-69-62000111.8F390 N395 I398 Y403 F453 Y456 T457 A534 R535 A541 F542F390-Y538 AromaticContact CE1-CD1 3.51Å; F390-Y538 HydrophobicContact CE1-CD1 3.51Å; F390-Y538 AromaticContact CE1-CE1 3.46Å; F390-Y538 HydrophobicContact CE1-CE1 3.46Å; F390-Y538 VanDerWaalsContact CE1-CE1 3.46Å; F390-Y538 AromaticContact CZ-CD1 3.67Å; F390-Y538 HydrophobicContact CZ-CD1 3.67Å; F390-Y538 AromaticContact CZ-CE1 3.59Å; F390-Y538 HydrophobicContact CZ-CE1 3.59Å; F390-Y538 HydrophobicContact CZ-CG 4.44Å; N395-Y538 WeakPolarHBondContact OD1-CE1 3.43Å; N395-Y538 PolarHBondContact OD1-OH 3.37Å; I398-Y538 HydrophobicContact CG2-CE2 3.69Å; I398-Y538 WeakPolarHBondContact CG2-OH 3.26Å; Y403-Y538 AromaticContact CE2-CE2 3.9Å; Y403-Y538 HydrophobicContact CE2-CE2 3.9Å; F453-Y538 HydrophobicContact CD1-CD1 4.13Å; F453-Y538 HydrophobicContact CE1-CD1 4.4Å; Y456-Y538 HydrophobicContact CD1-CD1 4.06Å; Y456-Y538 AromaticContact CD1-CE1 3.51Å; Y456-Y538 HydrophobicContact CD1-CE1 3.51Å; Y456-Y538 HydrophobicContact CD1-CE2 4.27Å; Y456-Y538 AromaticContact CD1-CZ 3.64Å; Y456-Y538 HydrophobicContact CE1-CE1 4.19Å; Y456-Y538 HydrophobicContact CG-CD1 4.02Å; Y456-Y538 AromaticContact CG-CE1 3.9Å; Y456-Y538 HydrophobicContact CG-CE1 3.9Å; T457-Y538 WeakPolarHBondContact OG1-CB 3.3Å; T457-Y538 PolarHBondContact OG1-O 3.44Å; A534-Y538 VanDerWaalsContact O-CD2 3.28Å; A534-Y538 WeakPolarHBondContact O-CD2 3.19Å; A534-Y538 PolarHBondContact O-N 2.93Å; R535-Y538 PolarHBondContact O-N 2.98Å; Y538-A541 PolarHBondContact O-N 2.84Å; Y538-F542 WeakPolarHBondContact O-CB 3.37Å; Y538-F542 PolarHBondContact O-N 2.64Å
539F96.7Very high94.9Very high77 Ų7756 Ų5634%0.33826%0.258SS..Hα-helixtrans-64.1-40.6174.2-176.3-110.5000112.5T457 R535 T536 L537 F542 I543T457-F539 HydrophobicContact CG2-CB 3.81Å; T457-F539 HydrophobicContact CG2-CD2 4.01Å; T457-F539 HydrophobicContact CG2-CG 4.38Å; T457-F539 PolarHBondContact OG1-N 2.65Å; R535-F539 PolarHBondContact O-N 3.47Å; T536-F539 WeakPolarHBondContact O-CB 3.31Å; T536-F539 PolarHBondContact O-N 2.83Å; L537-F539 VanDerWaalsContact C-N 3.27Å; L537-F539 PolarHBondContact O-N 3.43Å; F539-F542 AromaticContact CD2-CD1 3.8Å; F539-F542 HydrophobicContact CD2-CD1 3.8Å; F539-F542 HydrophobicContact CD2-CE1 4.36Å; F539-F542 AromaticContact CE2-CD1 3.9Å; F539-F542 HydrophobicContact CE2-CD1 3.9Å; F539-F542 HydrophobicContact CE2-CE1 4.01Å; F539-F542 WeakPolarHBondContact O-CB 3.5Å; F539-F542 PolarHBondContact O-N 3.34Å; F539-I543 HydrophobicContact CD1-CD1 3.82Å; F539-I543 HydrophobicContact CE1-CD1 3.3Å; F539-I543 HydrophobicContact CE1-CG1 4.27Å; F539-I543 HydrophobicContact CE2-CD1 4.33Å; F539-I543 HydrophobicContact CZ-CD1 3.61Å; F539-I543 HydrophobicContact CZ-CG1 4.24Å; F539-I543 WeakPolarHBondContact O-CG1 3.47Å; F539-I543 PolarHBondContact O-N 2.9Å
540I96.9Very high94.9Very high48 Ų4861.5 Ų61.525%0.24629%0.287CS..Hα-helixtrans-62.6-43.2173.9-68.9164000110.5W525 F532 T536 L537 F542 I543 Y544W525-I540 HydrophobicContact CH2-CG2 4.13Å; W525-I540 HydrophobicContact CZ3-CG2 3.99Å; F532-I540 HydrophobicContact CD2-CD1 4.44Å; T536-I540 HydrophobicContact CG2-CD1 4.17Å; T536-I540 VanDerWaalsContact O-CG1 3.24Å; T536-I540 WeakPolarHBondContact O-CG1 3.25Å; T536-I540 PolarHBondContact O-N 3.36Å; L537-I540 PolarHBondContact O-N 3.49Å; I540-F542 VanDerWaalsContact C-N 3.34Å; I540-F542 PolarHBondContact O-N 3.44Å; I540-I543 PolarHBondContact O-N 3.29Å; I540-Y544 VanDerWaalsContact O-CB 3.27Å; I540-Y544 WeakPolarHBondContact O-CB 3.39Å; I540-Y544 PolarHBondContact O-N 3.37Å
541A96.7Very high95.1Very high0 Ų059.2 Ų59.20%028%0.278CS..Hα-helixtrans-63.6-38.7176.100000112.3I387 F390 F453 W525 L537 Y538 Y544 T545I387-A541 HydrophobicContact CD1-CB 3.9Å; F390-A541 HydrophobicContact CD1-CB 4.46Å; F390-A541 HydrophobicContact CE1-CB 4.48Å; F453-A541 HydrophobicContact CD1-CB 3.83Å; F453-A541 HydrophobicContact CD2-CB 4.16Å; F453-A541 HydrophobicContact CE1-CB 3.92Å; F453-A541 HydrophobicContact CE2-CB 4.25Å; F453-A541 HydrophobicContact CG-CB 3.97Å; F453-A541 HydrophobicContact CZ-CB 4.12Å; W525-A541 HydrophobicContact CH2-CB 4.21Å; L537-A541 PolarHBondContact O-N 3.35Å; Y538-A541 PolarHBondContact O-N 2.84Å; A541-Y544 PolarHBondContact O-N 2.79Å; A541-T545 WeakPolarHBondContact O-CG2 3.3Å; A541-T545 PolarHBondContact O-N 3.47Å; A541-T545 PolarHBondContact O-OG1 2.83Å
542F96.3Very high95.2Very high42 Ų4251 Ų5118%0.18425%0.245CC..Hα-helixtrans-59.3-50.4171.5156.2-108.3000112.1T450 F453 I454 Y538 F539 I540 Y544 T545 S546T450-F542 HydrophobicContact CG2-CD2 3.56Å; T450-F542 HydrophobicContact CG2-CE2 3.5Å; T450-F542 VanDerWaalsContact CG2-CE2 3.5Å; F453-F542 HydrophobicContact CB-CB 3.8Å; I454-F542 HydrophobicContact CD1-CD2 4.17Å; I454-F542 HydrophobicContact CD1-CE2 3.77Å; I454-F542 HydrophobicContact CG1-CD2 3.49Å; I454-F542 VanDerWaalsContact CG1-CD2 3.49Å; I454-F542 HydrophobicContact CG1-CE2 3.53Å; I454-F542 HydrophobicContact CG1-CG 4.38Å; I454-F542 HydrophobicContact CG1-CZ 4.42Å; Y538-F542 WeakPolarHBondContact O-CB 3.37Å; Y538-F542 PolarHBondContact O-N 2.64Å; F539-F542 AromaticContact CD2-CD1 3.8Å; F539-F542 HydrophobicContact CD2-CD1 3.8Å; F539-F542 HydrophobicContact CD2-CE1 4.36Å; F539-F542 AromaticContact CE2-CD1 3.9Å; F539-F542 HydrophobicContact CE2-CD1 3.9Å; F539-F542 HydrophobicContact CE2-CE1 4.01Å; F539-F542 WeakPolarHBondContact O-CB 3.5Å; F539-F542 PolarHBondContact O-N 3.34Å; I540-F542 VanDerWaalsContact C-N 3.34Å; I540-F542 PolarHBondContact O-N 3.44Å; F542-Y544 VanDerWaalsContact C-N 3.33Å; F542-Y544 PolarHBondContact O-N 3.47Å; F542-T545 PolarHBondContact O-N 3.11Å; F542-T545 PolarHBondContact O-OG1 3.21Å; F542-S546 WeakPolarHBondContact O-CB 3.42Å; F542-S546 PolarHBondContact O-N 3.12Å; F542-S546 VanDerWaalsContact O-N 3.1Å; F542-S546 PolarHBondContact O-OG 3.12Å
543I97.3Very high95.2Very high68 Ų6849 Ų4935%0.34924%0.242SC..Hα-helixtrans-61.5-45177.2-70.6173.4000110.3F539 I540 T545 S546 I547F539-I543 HydrophobicContact CD1-CD1 3.82Å; F539-I543 HydrophobicContact CE1-CD1 3.3Å; F539-I543 HydrophobicContact CE1-CG1 4.27Å; F539-I543 HydrophobicContact CE2-CD1 4.33Å; F539-I543 HydrophobicContact CZ-CD1 3.61Å; F539-I543 HydrophobicContact CZ-CG1 4.24Å; F539-I543 WeakPolarHBondContact O-CG1 3.47Å; F539-I543 PolarHBondContact O-N 2.9Å; I540-I543 PolarHBondContact O-N 3.29Å; I543-T545 PolarHBondContact O-N 3.43Å; I543-S546 WeakPolarHBondContact O-CB 3.35Å; I543-S546 PolarHBondContact O-N 2.98Å; I543-I547 HydrophobicContact CG2-CD1 3.71Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 WeakPolarHBondContact O-CG1 3.39Å; I543-I547 PolarHBondContact O-N 2.8Å
544Y97.2Very high95.2Very high46 Ų4646.2 Ų46.218%0.1823%0.23CC..Hα-helixtrans-59.7-48.2-178.9177.1-87.4000112.4M383 L386 I387 I540 A541 F542 S546 I547 C548M383-Y544 VanDerWaalsContact CA-OH 3.22Å; M383-Y544 WeakPolarHBondContact CA-OH 3.37Å; M383-Y544 WeakPolarHBondContact CB-OH 3.42Å; M383-Y544 HydrophobicContact CE-CE2 3.72Å; M383-Y544 WeakPolarHBondContact CE-OH 3.34Å; M383-Y544 WeakPolarHBondContact O-CE1 3.28Å; M383-Y544 PolarHBondContact O-OH 3.42Å; M383-Y544 PolarHBondContact SD-OH 2.95Å; L386-Y544 WeakPolarHBondContact CD1-OH 3.45Å; I387-Y544 HydrophobicContact CD1-CD1 3.47Å; I387-Y544 VanDerWaalsContact CD1-CD1 3.47Å; I387-Y544 HydrophobicContact CD1-CE1 4.04Å; I387-Y544 HydrophobicContact CD1-CG 4.25Å; I387-Y544 HydrophobicContact CG1-CD1 3.29Å; I387-Y544 HydrophobicContact CG1-CE1 3.36Å; I387-Y544 HydrophobicContact CG1-CG 4.44Å; I540-Y544 VanDerWaalsContact O-CB 3.27Å; I540-Y544 WeakPolarHBondContact O-CB 3.39Å; I540-Y544 PolarHBondContact O-N 3.37Å; A541-Y544 PolarHBondContact O-N 2.79Å; F542-Y544 VanDerWaalsContact C-N 3.33Å; F542-Y544 PolarHBondContact O-N 3.47Å; Y544-S546 VanDerWaalsContact C-N 3.31Å; Y544-S546 PolarHBondContact O-N 3.38Å; Y544-I547 PolarHBondContact O-N 2.83Å; Y544-C548 WeakPolarHBondContact CE1-SG 3.47Å; Y544-C548 PolarHBondContact O-N 3.23Å; Y544-C548 PolarHBondContact O-SG 2.89Å
545T96.8Very high95.2Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-64.8-36.8178.2510000111.8I387 L449 T450 F453 A541 F542 I543 C548 A549I387-T545 HydrophobicContact CD1-CG2 3.9Å; I387-T545 HydrophobicContact CG1-CG2 3.83Å; I387-T545 HydrophobicContact CG2-CG2 4.12Å; L449-T545 HydrophobicContact CB-CG2 3.99Å; T450-T545 WeakPolarHBondContact CA-OG1 3.35Å; T450-T545 WeakPolarHBondContact OG1-CB 3.39Å; T450-T545 PolarHBondContact OG1-OG1 3.36Å; F453-T545 HydrophobicContact CD2-CG2 3.93Å; F453-T545 HydrophobicContact CE2-CG2 3.94Å; A541-T545 WeakPolarHBondContact O-CG2 3.3Å; A541-T545 PolarHBondContact O-N 3.47Å; A541-T545 PolarHBondContact O-OG1 2.83Å; F542-T545 PolarHBondContact O-N 3.11Å; F542-T545 PolarHBondContact O-OG1 3.21Å; I543-T545 PolarHBondContact O-N 3.43Å; T545-C548 WeakPolarHBondContact O-CB 3.39Å; T545-C548 PolarHBondContact O-N 3.36Å; T545-A549 PolarHBondContact O-N 3.24Å
546S96.6Very high95.1Very high35 Ų3541.2 Ų41.225%0.24521%0.214CC..Hα-helixtrans-62.5-44.2174.3-56.30000111.9T450 F542 I543 Y544 C548 A549 L550T450-S546 WeakPolarHBondContact CG2-OG 3.28Å; T450-S546 PolarHBondContact OG1-N 3.37Å; F542-S546 WeakPolarHBondContact O-CB 3.42Å; F542-S546 PolarHBondContact O-N 3.12Å; F542-S546 VanDerWaalsContact O-N 3.1Å; F542-S546 PolarHBondContact O-OG 3.12Å; I543-S546 WeakPolarHBondContact O-CB 3.35Å; I543-S546 PolarHBondContact O-N 2.98Å; Y544-S546 VanDerWaalsContact C-N 3.31Å; Y544-S546 PolarHBondContact O-N 3.38Å; S546-C548 VanDerWaalsContact C-N 3.35Å; S546-A549 PolarHBondContact O-N 3.08Å; S546-L550 PolarHBondContact O-N 3.2Å
547I97.1Very high94.9Very high93 Ų9345.8 Ų45.848%0.47723%0.226SC..Hα-helixtrans-63.2-42.9175.1-68.1168.8000110.3I543 Y544 A549 L550 L551I543-I547 HydrophobicContact CG2-CD1 3.71Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 WeakPolarHBondContact O-CG1 3.39Å; I543-I547 PolarHBondContact O-N 2.8Å; Y544-I547 PolarHBondContact O-N 2.83Å; I547-A549 VanDerWaalsContact C-N 3.34Å; I547-A549 PolarHBondContact O-N 3.25Å; I547-L550 PolarHBondContact O-N 2.7Å; I547-L551 WeakPolarHBondContact O-CB 3.44Å; I547-L551 PolarHBondContact O-N 3.49Å
548C95.7Very high94.6Very high1 Ų151 Ų511%0.00725%0.246CC..Hα-helixtrans-60.5-42.2177.2-690000112.1Q446 Y544 T545 S546 L550 L551 F552Q446-C548 HydrophobicContact CG-CB 4.32Å; Y544-C548 WeakPolarHBondContact CE1-SG 3.47Å; Y544-C548 PolarHBondContact O-N 3.23Å; Y544-C548 PolarHBondContact O-SG 2.89Å; T545-C548 WeakPolarHBondContact O-CB 3.39Å; T545-C548 PolarHBondContact O-N 3.36Å; S546-C548 VanDerWaalsContact C-N 3.35Å; C548-L550 VanDerWaalsContact C-N 3.26Å; C548-L550 PolarHBondContact O-N 3.09Å; C548-L551 PolarHBondContact O-N 3.42Å; C548-F552 HydrophobicContact CB-CE1 3.93Å; C548-F552 HydrophobicContact CB-CE2 4.34Å; C548-F552 HydrophobicContact CB-CZ 3.81Å; C548-F552 VanDerWaalsContact O-CD1 3.24Å; C548-F552 WeakPolarHBondContact O-CD1 3.14Å; C548-F552 WeakPolarHBondContact O-CG 3.39Å; C548-F552 PolarHBondContact O-N 3.2Å
549A94.7Very high94.2Very high11 Ų1152.8 Ų52.89%0.09126%0.255CS..Hα-helixtrans-58-38.1177.100000112.6Q446 I447 T545 S546 I547 P553Q446-A549 HydrophobicContact CB-CB 3.7Å; I447-A549 HydrophobicContact CG1-CB 4.35Å; T545-A549 PolarHBondContact O-N 3.24Å; S546-A549 PolarHBondContact O-N 3.08Å; I547-A549 VanDerWaalsContact C-N 3.34Å; I547-A549 PolarHBondContact O-N 3.25Å; A549-P553 WeakPolarHBondContact O-CD 3.34Å
550L94.9Very high93.5Very high135 Ų13552.5 Ų52.571%0.70726%0.257SS*.Hα-helixtrans-78.8-36.3176.8-64.2175.3000112.6S546 I547 C548 P553S546-L550 PolarHBondContact O-N 3.2Å; I547-L550 PolarHBondContact O-N 2.7Å; C548-L550 VanDerWaalsContact C-N 3.26Å; C548-L550 PolarHBondContact O-N 3.09Å; L550-P553 WeakPolarHBondContact O-CD 3.28Å; L550-P553 WeakPolarHBondContact O-CG 3.25Å
551L94.5Very high92.8Very high51 Ų5156.8 Ų56.827%0.26727%0.274SS..Hα-helixtrans-74.9-35.4-173.9-175.1145.6000112.6M379 I547 C548 F554 V555M379-L551 HydrophobicContact CE-CD2 3.34Å; M379-L551 HydrophobicContact SD-CD2 4.23Å; I547-L551 WeakPolarHBondContact O-CB 3.44Å; I547-L551 PolarHBondContact O-N 3.49Å; C548-L551 PolarHBondContact O-N 3.42Å; L551-F554 WeakPolarHBondContact O-CB 3.36Å; L551-F554 PolarHBondContact O-N 3.42Å; L551-V555 HydrophobicContact CD2-CG2 3.61Å; L551-V555 HydrophobicContact CG-CG2 4.12Å; L551-V555 WeakPolarHBondContact O-CG2 3.45Å; L551-V555 PolarHBondContact O-N 2.76Å
552F93.3Very high91.7Very high1 Ų164.9 Ų64.90%0.00431%0.31CS..Hα-helixtrans-59.1-50.3-178.8-66.9-6.3000114.7V380 M383 Q442 Q446 C548 F554 V555 A556V380-F552 HydrophobicContact CB-CE1 4.44Å; V380-F552 HydrophobicContact CB-CE2 4.23Å; V380-F552 HydrophobicContact CB-CZ 4.18Å; V380-F552 HydrophobicContact CG1-CD2 4.06Å; V380-F552 HydrophobicContact CG1-CE2 3.57Å; V380-F552 HydrophobicContact CG1-CZ 3.89Å; V380-F552 HydrophobicContact CG2-CB 4.43Å; V380-F552 HydrophobicContact CG2-CD1 3.86Å; V380-F552 HydrophobicContact CG2-CD2 3.92Å; V380-F552 HydrophobicContact CG2-CE1 4.02Å; V380-F552 HydrophobicContact CG2-CE2 4.05Å; V380-F552 HydrophobicContact CG2-CG 3.81Å; V380-F552 HydrophobicContact CG2-CZ 4.12Å; M383-F552 HydrophobicContact CB-CE1 4.09Å; M383-F552 HydrophobicContact CB-CZ 4.18Å; M383-F552 HydrophobicContact CG-CE1 4.48Å; Q442-F552 HydrophobicContact CB-CD2 4.28Å; Q446-F552 HydrophobicContact CG-CD2 3.72Å; Q446-F552 HydrophobicContact CG-CE2 3.3Å; Q446-F552 HydrophobicContact CG-CZ 4.18Å; C548-F552 HydrophobicContact CB-CE1 3.93Å; C548-F552 HydrophobicContact CB-CE2 4.34Å; C548-F552 HydrophobicContact CB-CZ 3.81Å; C548-F552 VanDerWaalsContact O-CD1 3.24Å; C548-F552 WeakPolarHBondContact O-CD1 3.14Å; C548-F552 WeakPolarHBondContact O-CG 3.39Å; C548-F552 PolarHBondContact O-N 3.2Å; F552-F554 VanDerWaalsContact C-N 3.29Å; F552-F554 PolarHBondContact O-N 2.69Å; F552-V555 PolarHBondContact O-N 2.84Å; F552-A556 WeakPolarHBondContact O-CB 3.49Å; F552-A556 PolarHBondContact O-N 3.1Å
553P92.9Very high90.2Very high53 Ų5367.7 Ų67.734%0.34432%0.322SS..Hα-helixtrans-67.3-33176.826.4-33.8000111.7I439 V443 A549 L550 A556 Y557I439-P553 HydrophobicContact CG2-CB 4.41Å; V443-P553 HydrophobicContact CG2-CB 4.44Å; V443-P553 HydrophobicContact CG2-CG 4.07Å; A549-P553 WeakPolarHBondContact O-CD 3.34Å; L550-P553 WeakPolarHBondContact O-CD 3.28Å; L550-P553 WeakPolarHBondContact O-CG 3.25Å; P553-A556 WeakPolarHBondContact O-CB 3.38Å; P553-A556 PolarHBondContact O-N 3.05Å; P553-Y557 WeakPolarHBondContact O-CB 3.3Å; P553-Y557 PolarHBondContact O-N 2.65Å
554F92.5Very high87.6Confident118 Ų11872.5 Ų72.552%0.51836%0.359SS..Hα-helixtrans-61.5-52.4175.1-178.4-91.5000111.2L551 F552 A556 Y557 Y558L551-F554 WeakPolarHBondContact O-CB 3.36Å; L551-F554 PolarHBondContact O-N 3.42Å; F552-F554 VanDerWaalsContact C-N 3.29Å; F552-F554 PolarHBondContact O-N 2.69Å; F554-A556 VanDerWaalsContact C-N 3.3Å; F554-A556 PolarHBondContact O-N 3.16Å; F554-Y557 WeakPolarHBondContact O-CB 3.4Å; F554-Y557 PolarHBondContact O-N 3.3Å; F554-Y557 VanDerWaalsContact O-N 3.15Å; F554-Y558 AromaticContact CD1-CD2 3.93Å; F554-Y558 HydrophobicContact CD1-CD2 3.93Å; F554-Y558 HydrophobicContact CD1-CE2 4.04Å; F554-Y558 HydrophobicContact CD2-CD2 4.36Å; F554-Y558 AromaticContact CD2-CE2 3.88Å; F554-Y558 HydrophobicContact CD2-CE2 3.88Å; F554-Y558 AromaticContact CE1-CD2 3.67Å; F554-Y558 HydrophobicContact CE1-CD2 3.67Å; F554-Y558 AromaticContact CE1-CE2 3.48Å; F554-Y558 HydrophobicContact CE1-CE2 3.48Å; F554-Y558 VanDerWaalsContact CE1-CE2 3.48Å; F554-Y558 HydrophobicContact CE2-CD2 4.16Å; F554-Y558 AromaticContact CE2-CE2 3.33Å; F554-Y558 HydrophobicContact CE2-CE2 3.33Å; F554-Y558 HydrophobicContact CG-CD2 4.27Å; F554-Y558 HydrophobicContact CG-CE2 4.22Å; F554-Y558 AromaticContact CZ-CD2 3.81Å; F554-Y558 HydrophobicContact CZ-CD2 3.81Å; F554-Y558 AromaticContact CZ-CE2 3.1Å; F554-Y558 HydrophobicContact CZ-CE2 3.1Å; F554-Y558 AromaticContact CZ-CZ 3.73Å; F554-Y558 WeakPolarHBondContact O-CD2 3.18Å; F554-Y558 PolarHBondContact O-N 3.38Å; F554-Y558 VanDerWaalsContact O-N 3.1Å
555V91Very high87.1Confident27 Ų2773.8 Ų73.816%0.16437%0.368CS..Hα-helixtrans-60.6-41.6177.2171.20000111.3M379 L551 F552 Y557 Y558 L559M379-V555 HydrophobicContact CE-CG2 4.07Å; M379-V555 HydrophobicContact SD-CB 4.22Å; M379-V555 HydrophobicContact SD-CG1 3.74Å; M379-V555 HydrophobicContact SD-CG2 3.81Å; L551-V555 HydrophobicContact CD2-CG2 3.61Å; L551-V555 HydrophobicContact CG-CG2 4.12Å; L551-V555 WeakPolarHBondContact O-CG2 3.45Å; L551-V555 PolarHBondContact O-N 2.76Å; F552-V555 PolarHBondContact O-N 2.84Å; V555-Y557 VanDerWaalsContact C-N 3.3Å; V555-Y557 PolarHBondContact O-N 3.35Å; V555-Y558 PolarHBondContact O-N 2.94Å; V555-L559 HydrophobicContact CG1-CD1 3.62Å; V555-L559 HydrophobicContact CG1-CG 4.14Å; V555-L559 WeakPolarHBondContact O-CB 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 3.43Å
556A89.7Confident86.6Confident2 Ų277.7 Ų77.72%0.01739%0.388CS..Hα-helixtrans-58-44.1176.100000112I439 F552 P553 F554 N560I439-A556 HydrophobicContact CD1-CB 3.69Å; I439-A556 HydrophobicContact CG1-CB 4.22Å; I439-A556 HydrophobicContact CG2-CB 4.11Å; F552-A556 WeakPolarHBondContact O-CB 3.49Å; F552-A556 PolarHBondContact O-N 3.1Å; P553-A556 WeakPolarHBondContact O-CB 3.38Å; P553-A556 PolarHBondContact O-N 3.05Å; F554-A556 VanDerWaalsContact C-N 3.3Å; F554-A556 PolarHBondContact O-N 3.16Å; A556-N560 VanDerWaalsContact O-CB 3.28Å; A556-N560 WeakPolarHBondContact O-CB 3.44Å; A556-N560 PolarHBondContact O-N 3.01Å; A556-N560 PolarHBondContact O-ND2 2.76Å
557Y90.3Very high86.1Confident152 Ų15280.1 Ų80.160%0.59640%0.396SS*.Hα-helixtrans-61.3-47.2178.1176.6-101.2000112P553 F554 V555 N560 K561P553-Y557 WeakPolarHBondContact O-CB 3.3Å; P553-Y557 PolarHBondContact O-N 2.65Å; F554-Y557 WeakPolarHBondContact O-CB 3.4Å; F554-Y557 PolarHBondContact O-N 3.3Å; F554-Y557 VanDerWaalsContact O-N 3.15Å; V555-Y557 VanDerWaalsContact C-N 3.3Å; V555-Y557 PolarHBondContact O-N 3.35Å; Y557-N560 PolarHBondContact O-N 3.4Å; Y557-K561 PolarHBondContact O-N 3.2Å
558Y89.3Confident85.4Confident111 Ų11179.3 Ų79.344%0.43539%0.391SS..Hα-helixtrans-66.1-45178.4-83.3-89000112.7F554 V555 N560 K561 F562F554-Y558 AromaticContact CD1-CD2 3.93Å; F554-Y558 HydrophobicContact CD1-CD2 3.93Å; F554-Y558 HydrophobicContact CD1-CE2 4.04Å; F554-Y558 HydrophobicContact CD2-CD2 4.36Å; F554-Y558 AromaticContact CD2-CE2 3.88Å; F554-Y558 HydrophobicContact CD2-CE2 3.88Å; F554-Y558 AromaticContact CE1-CD2 3.67Å; F554-Y558 HydrophobicContact CE1-CD2 3.67Å; F554-Y558 AromaticContact CE1-CE2 3.48Å; F554-Y558 HydrophobicContact CE1-CE2 3.48Å; F554-Y558 VanDerWaalsContact CE1-CE2 3.48Å; F554-Y558 HydrophobicContact CE2-CD2 4.16Å; F554-Y558 AromaticContact CE2-CE2 3.33Å; F554-Y558 HydrophobicContact CE2-CE2 3.33Å; F554-Y558 HydrophobicContact CG-CD2 4.27Å; F554-Y558 HydrophobicContact CG-CE2 4.22Å; F554-Y558 AromaticContact CZ-CD2 3.81Å; F554-Y558 HydrophobicContact CZ-CD2 3.81Å; F554-Y558 AromaticContact CZ-CE2 3.1Å; F554-Y558 HydrophobicContact CZ-CE2 3.1Å; F554-Y558 AromaticContact CZ-CZ 3.73Å; F554-Y558 WeakPolarHBondContact O-CD2 3.18Å; F554-Y558 PolarHBondContact O-N 3.38Å; F554-Y558 VanDerWaalsContact O-N 3.1Å; V555-Y558 PolarHBondContact O-N 2.94Å; Y558-N560 VanDerWaalsContact C-N 3.32Å; Y558-N560 PolarHBondContact O-N 3.44Å; Y558-K561 WeakPolarHBondContact O-CB 3.41Å; Y558-K561 PolarHBondContact O-N 3.22Å; Y558-K561 VanDerWaalsContact O-N 3.14Å; Y558-F562 WeakPolarHBondContact O-CD2 3.42Å; Y558-F562 PolarHBondContact O-N 3.42Å; Y558-F562 VanDerWaalsContact O-N 3.15Å
559L87.1Confident84.8Confident37 Ų3784.2 Ų84.219%0.19442%0.415CS..Hα-helixtrans-65.4-36179.3-71.2175.4000112.3P372 Q376 V555 K561 F562 K563P372-L559 HydrophobicContact CB-CB 4.36Å; Q376-L559 HydrophobicContact CB-CD1 3.75Å; Q376-L559 HydrophobicContact CG-CD1 4.37Å; V555-L559 HydrophobicContact CG1-CD1 3.62Å; V555-L559 HydrophobicContact CG1-CG 4.14Å; V555-L559 WeakPolarHBondContact O-CB 3.3Å; V555-L559 WeakPolarHBondContact O-CG 3.45Å; V555-L559 PolarHBondContact O-N 3.43Å; L559-K561 VanDerWaalsContact C-N 3.33Å; L559-F562 PolarHBondContact O-N 2.77Å; L559-K563 PolarHBondContact O-N 2.62Å
560N82.5Confident84.1Confident71 Ų7189.1 Ų89.138%0.3844%0.437SS..Hα-helixtrans-67.1-35.6173.3-73.8-23.5000111.8A556 Y557 Y558 F562 K563A556-N560 VanDerWaalsContact O-CB 3.28Å; A556-N560 WeakPolarHBondContact O-CB 3.44Å; A556-N560 PolarHBondContact O-N 3.01Å; A556-N560 PolarHBondContact O-ND2 2.76Å; Y557-N560 PolarHBondContact O-N 3.4Å; Y558-N560 VanDerWaalsContact C-N 3.32Å; Y558-N560 PolarHBondContact O-N 3.44Å; N560-F562 VanDerWaalsContact C-N 3.31Å; N560-F562 PolarHBondContact O-N 2.63Å; N560-K563 WeakPolarHBondContact O-CB 3.39Å; N560-K563 PolarHBondContact O-N 2.72Å; N560-K563 VanDerWaalsContact O-N 3.12Å
561K82.5Confident83.3Confident139 Ų13985.8 Ų85.860%0.60442%0.417SS*.Hα-helixtrans-64.4-33.5175.2-170.2176.8178.8-179.50112.7Y557 Y558 L559 K563Y557-K561 PolarHBondContact O-N 3.2Å; Y558-K561 WeakPolarHBondContact O-CB 3.41Å; Y558-K561 PolarHBondContact O-N 3.22Å; Y558-K561 VanDerWaalsContact O-N 3.14Å; L559-K561 VanDerWaalsContact C-N 3.33Å; K561-K563 VanDerWaalsContact C-N 3.31Å
562F73.8Confident82.5Confident169 Ų16988.5 Ų88.574%0.74143%0.429SS*.THydrogen-bonded Turntrans-77.1-12.4173.8-76.2-72.8000114Y558 L559 N560 C564Y558-F562 WeakPolarHBondContact O-CD2 3.42Å; Y558-F562 PolarHBondContact O-N 3.42Å; Y558-F562 VanDerWaalsContact O-N 3.15Å; L559-F562 PolarHBondContact O-N 2.77Å; N560-F562 VanDerWaalsContact C-N 3.31Å; N560-F562 PolarHBondContact O-N 2.63Å; F562-C564 VanDerWaalsContact C-N 3.32Å
563K64.2Low81.6Confident102 Ų10295.8 Ų95.844%0.44346%0.464SS..THydrogen-bonded Turntrans-78.5-19.1176.2-160.4178.2-177.2177.30111.8P372 E493 L559 N560 K561P372-K563 HydrophobicContact CG-CD 4.23Å; P372-K563 HydrophobicContact CG-CG 4.26Å; E493-K563 VanDerWaalsContact CD-NZ 3.32Å; E493-K563 IonicContact OE1-NZ 3.5Å; E493-K563 PolarHBondContact OE1-NZ 3.31Å; E493-K563 IonicContact OE2-NZ 2.54Å; E493-K563 PolarHBondContact OE2-NZ 2.91Å; L559-K563 PolarHBondContact O-N 2.62Å; N560-K563 WeakPolarHBondContact O-CB 3.39Å; N560-K563 PolarHBondContact O-N 2.72Å; N560-K563 VanDerWaalsContact O-N 3.12Å; K561-K563 VanDerWaalsContact C-N 3.31Å
564C43.4Very low80.6Confident168 Ų16899.6 Ų99.6100%1.13548%0.475SS*.  trans-99.10171.6-67.10000110.2F562F562-C564 VanDerWaalsContact C-N 3.32Å

Retrieved 564 of 564 residues in 119.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).