X5I0W1_MOUSE Loading...

Vomeronasal type-2 receptor 55

AlphaFold DB , UniProt , Accession X5I0W1, Species MOUSE (Mus musculus, Mouse), Gene Vmn2r55, Length 773 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
1M65.4Low83.2Confident99 Ų9937.9 Ų37.949%0.48820%0.195SC..  0-59.50-170.2178.5-88.400112.8G3 Y4 R5 F285M1-G3 PolarHBondContact O-N 2.79Å; M1-Y4 PolarHBondContact O-N 3.11Å; M1-R5 PolarHBondContact O-N 3.43Å; M1-F285 HydrophobicContact CB-CE1 4.42Å; M1-F285 HydrophobicContact CE-CD1 3.31Å; M1-F285 HydrophobicContact CE-CE1 3.29Å; M1-F285 HydrophobicContact SD-CE1 4.26Å
2W73.5Confident83.8Confident116 Ų11636.5 Ų36.544%0.43919%0.187SC..Hα-helixtrans-54.4-51-178.3179.6-101.3000114Y4 R5 V6W2-Y4 VanDerWaalsContact C-N 3.33Å; W2-Y4 PolarHBondContact O-N 3.48Å; W2-R5 WeakPolarHBondContact O-CB 3.4Å; W2-R5 PolarHBondContact O-N 3Å; W2-R5 VanDerWaalsContact O-N 3.11Å; W2-V6 HydrophobicContact CD2-CG2 4.43Å; W2-V6 HydrophobicContact CZ2-CG2 4.27Å; W2-V6 WeakPolarHBondContact O-CG2 3.34Å; W2-V6 PolarHBondContact O-N 3.49Å
3G80Confident84.4Confident44 Ų4433.7 Ų33.745%0.45417%0.172SC..Hα-helixtrans-57.8-40.5-179.300000114M1 V6 A7M1-G3 PolarHBondContact O-N 2.79Å; G3-V6 PolarHBondContact O-N 3.19Å; G3-A7 PolarHBondContact O-N 3.4Å
4Y83.6Confident85.1Confident23 Ų2331.9 Ų31.99%0.0916%0.163CC..Hα-helixtrans-66.7-38.4177.1-177.8-108.1000112.3M1 W2 V6 A7 Q8 D276 F278 I279 F282M1-Y4 PolarHBondContact O-N 3.11Å; W2-Y4 VanDerWaalsContact C-N 3.33Å; W2-Y4 PolarHBondContact O-N 3.48Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.11Å; Y4-A7 WeakPolarHBondContact O-CB 3.47Å; Y4-A7 PolarHBondContact O-N 2.94Å; Y4-Q8 HydrophobicContact CD1-CG 4.22Å; Y4-Q8 HydrophobicContact CE1-CG 3.82Å; Y4-Q8 HydrophobicContact CE2-CG 4.3Å; Y4-Q8 VanDerWaalsContact CZ-NE2 3.33Å; Y4-Q8 WeakPolarHBondContact O-CG 3.42Å; Y4-Q8 PolarHBondContact O-N 3.43Å; Y4-Q8 PolarHBondContact OH-NE2 2.95Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.15Å; Y4-D276 WeakPolarHBondContact CE2-OD2 3.2Å; Y4-D276 PolarHBondContact OH-OD2 3.36Å; Y4-F278 HydrophobicContact CD2-CB 3.5Å; Y4-F278 VanDerWaalsContact CD2-CB 3.5Å; Y4-F278 HydrophobicContact CD2-CG 4.34Å; Y4-F278 HydrophobicContact CE2-CB 3.61Å; Y4-I279 WeakPolarHBondContact OH-CA 3.35Å; Y4-I279 WeakPolarHBondContact OH-CB 3.32Å; Y4-I279 WeakPolarHBondContact OH-CG1 3.07Å; Y4-F282 HydrophobicContact CD1-CB 3.73Å; Y4-F282 AromaticContact CD1-CD1 3.98Å; Y4-F282 HydrophobicContact CD1-CD1 3.98Å; Y4-F282 AromaticContact CD1-CD2 3.43Å; Y4-F282 HydrophobicContact CD1-CD2 3.43Å; Y4-F282 VanDerWaalsContact CD1-CD2 3.43Å; Y4-F282 HydrophobicContact CD1-CE1 4.48Å; Y4-F282 AromaticContact CD1-CE2 4Å; Y4-F282 HydrophobicContact CD1-CE2 4Å; Y4-F282 AromaticContact CD1-CG 3.41Å; Y4-F282 HydrophobicContact CD1-CG 3.41Å; Y4-F282 VanDerWaalsContact CD1-CG 3.41Å; Y4-F282 HydrophobicContact CD1-CZ 4.49Å; Y4-F282 HydrophobicContact CE1-CB 3.74Å; Y4-F282 AromaticContact CE1-CD1 3.52Å; Y4-F282 HydrophobicContact CE1-CD1 3.52Å; Y4-F282 AromaticContact CE1-CD2 3.89Å; Y4-F282 HydrophobicContact CE1-CD2 3.89Å; Y4-F282 HydrophobicContact CE1-CE1 4.07Å; Y4-F282 HydrophobicContact CE1-CE2 4.39Å; Y4-F282 AromaticContact CE1-CG 3.41Å; Y4-F282 HydrophobicContact CE1-CG 3.41Å; Y4-F282 VanDerWaalsContact CE1-CG 3.41Å; Y4-F282 HydrophobicContact CE1-CZ 4.47Å; Y4-F282 HydrophobicContact CG-CB 4.28Å; Y4-F282 HydrophobicContact CG-CD2 4.36Å; Y4-F282 HydrophobicContact CG-CG 4.37Å
5R81.7Confident85.6Confident45 Ų4534.1 Ų34.117%0.1717%0.172CC..Hα-helixtrans-63.1-41.1174.4-175.8178.8177-173.1-3.8112M1 W2 A7 Q8 S9 F261 L265 S322M1-R5 PolarHBondContact O-N 3.43Å; W2-R5 WeakPolarHBondContact O-CB 3.4Å; W2-R5 PolarHBondContact O-N 3Å; W2-R5 VanDerWaalsContact O-N 3.11Å; R5-A7 VanDerWaalsContact C-N 3.3Å; R5-Q8 PolarHBondContact O-N 3.08Å; R5-S9 PolarHBondContact O-N 3.41Å; R5-F261 HydrophobicContact CG-CE1 4.23Å; R5-F261 HydrophobicContact CG-CZ 4.2Å; R5-L265 HydrophobicContact CG-CD1 4.29Å; R5-S322 VanDerWaalsContact CZ-O 3.31Å; R5-S322 PolarHBondContact NH1-O 2.05Å; R5-S322 PolarHBondContact NH1-OG 3.32Å; R5-S322 PolarHBondContact NH2-O 3.44Å; R5-S322 PolarHBondContact NH2-OG 3.49Å
6V84.4Confident86.1Confident10 Ų1034.6 Ų34.66%0.06117%0.174CC..Hα-helixtrans-63.2-40.1175177.80000110.8W2 G3 Y4 S9 F10 Y98 A327W2-V6 HydrophobicContact CD2-CG2 4.43Å; W2-V6 HydrophobicContact CZ2-CG2 4.27Å; W2-V6 WeakPolarHBondContact O-CG2 3.34Å; W2-V6 PolarHBondContact O-N 3.49Å; G3-V6 PolarHBondContact O-N 3.19Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.11Å; V6-S9 WeakPolarHBondContact O-CB 3.37Å; V6-S9 PolarHBondContact O-N 3.05Å; V6-F10 PolarHBondContact O-N 3.35Å; V6-Y98 HydrophobicContact CG1-CD1 4.34Å; V6-Y98 HydrophobicContact CG1-CD2 4.24Å; V6-Y98 HydrophobicContact CG1-CE1 3.83Å; V6-Y98 HydrophobicContact CG1-CE2 3.76Å; V6-Y98 HydrophobicContact CG2-CE2 4.49Å; V6-A327 HydrophobicContact CG1-CB 3.78Å
7A88.1Confident86.6Confident16 Ų1632.7 Ų32.713%0.13217%0.165CC..Hα-helixtrans-60.8-44.4173.200000111.8G3 Y4 R5 S9 F10 V11 I33G3-A7 PolarHBondContact O-N 3.4Å; Y4-A7 WeakPolarHBondContact O-CB 3.47Å; Y4-A7 PolarHBondContact O-N 2.94Å; R5-A7 VanDerWaalsContact C-N 3.3Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.29Å; A7-F10 VanDerWaalsContact O-CB 3.3Å; A7-F10 WeakPolarHBondContact O-CB 3.27Å; A7-F10 PolarHBondContact O-N 3.31Å; A7-F10 VanDerWaalsContact O-N 3.16Å; A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.47Å; A7-I33 HydrophobicContact CB-CD1 4.26Å; A7-I33 HydrophobicContact CB-CG2 4.23Å
8Q87.9Confident87Confident8 Ų834.2 Ų34.24%0.03717%0.173CC..Hα-helixtrans-65.9-33.6175.6-67.6-60.2-3600112.7Y4 R5 F10 V11 F12 F261 F264 L265 L268 D276Y4-Q8 HydrophobicContact CD1-CG 4.22Å; Y4-Q8 HydrophobicContact CE1-CG 3.82Å; Y4-Q8 HydrophobicContact CE2-CG 4.3Å; Y4-Q8 VanDerWaalsContact CZ-NE2 3.33Å; Y4-Q8 WeakPolarHBondContact O-CG 3.42Å; Y4-Q8 PolarHBondContact O-N 3.43Å; Y4-Q8 PolarHBondContact OH-NE2 2.95Å; Y4-Q8 VanDerWaalsContact OH-NE2 3.15Å; R5-Q8 PolarHBondContact O-N 3.08Å; Q8-F10 VanDerWaalsContact C-N 3.32Å; Q8-V11 PolarHBondContact O-N 3.46Å; Q8-F12 WeakPolarHBondContact O-CB 3.27Å; Q8-F12 PolarHBondContact O-N 3.04Å; Q8-F261 HydrophobicContact CB-CE2 4.24Å; Q8-F261 HydrophobicContact CB-CZ 4.35Å; Q8-F264 HydrophobicContact CB-CE1 4.41Å; Q8-L265 HydrophobicContact CB-CD2 3.74Å; Q8-L265 HydrophobicContact CG-CD2 4.27Å; Q8-L268 HydrophobicContact CG-CD1 4.04Å; Q8-D276 PolarHBondContact NE2-OD2 3Å
9S88.1Confident87.4Confident2 Ų242.6 Ų42.61%0.01420%0.203CC..Hα-helixtrans-63.9-38.7172171.90000111.8R5 V6 A7 A13 F261R5-S9 PolarHBondContact O-N 3.41Å; V6-S9 WeakPolarHBondContact O-CB 3.37Å; V6-S9 PolarHBondContact O-N 3.05Å; A7-S9 VanDerWaalsContact C-N 3.33Å; A7-S9 PolarHBondContact O-N 3.29Å; S9-A13 PolarHBondContact O-N 3.03Å; S9-A13 VanDerWaalsContact O-N 3.09Å; S9-F261 VanDerWaalsContact CA-CE2 3.44Å
10F91.1Very high87.6Confident37 Ų3742.6 Ų42.616%0.16221%0.207CC..Hα-helixtrans-62.7-48.4172.4178.2-75000111.2V6 A7 Q8 F12 A13 I14 F31 V73 A327 V331V6-F10 PolarHBondContact O-N 3.35Å; A7-F10 VanDerWaalsContact O-CB 3.3Å; A7-F10 WeakPolarHBondContact O-CB 3.27Å; A7-F10 PolarHBondContact O-N 3.31Å; A7-F10 VanDerWaalsContact O-N 3.16Å; Q8-F10 VanDerWaalsContact C-N 3.32Å; F10-F12 PolarHBondContact O-N 3.48Å; F10-A13 PolarHBondContact O-N 2.84Å; F10-I14 HydrophobicContact CD1-CG1 4.15Å; F10-I14 HydrophobicContact CE1-CD1 4.3Å; F10-I14 HydrophobicContact CE1-CG1 3.67Å; F10-I14 HydrophobicContact CZ-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CG1 4.17Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.4Å; F10-I14 VanDerWaalsContact O-N 3.11Å; F10-F31 HydrophobicContact CE1-CB 3.44Å; F10-F31 VanDerWaalsContact CE1-CB 3.44Å; F10-F31 HydrophobicContact CE1-CD1 4.42Å; F10-F31 HydrophobicContact CE1-CD2 4.08Å; F10-F31 AromaticContact CE1-CG 3.75Å; F10-F31 HydrophobicContact CE1-CG 3.75Å; F10-F31 HydrophobicContact CZ-CB 3.94Å; F10-V73 HydrophobicContact CD2-CB 4.1Å; F10-V73 HydrophobicContact CD2-CG1 4.13Å; F10-V73 HydrophobicContact CD2-CG2 4.29Å; F10-V73 HydrophobicContact CE2-CB 3.87Å; F10-V73 HydrophobicContact CE2-CG1 4.39Å; F10-V73 HydrophobicContact CE2-CG2 3.77Å; F10-A327 HydrophobicContact CB-CB 3.9Å; F10-V331 HydrophobicContact CB-CG2 4.49Å; F10-V331 HydrophobicContact CD2-CG2 3.24Å; F10-V331 HydrophobicContact CE2-CG2 3.44Å; F10-V331 VanDerWaalsContact CE2-CG2 3.44Å; F10-V331 HydrophobicContact CG-CG2 3.91Å; F10-V331 HydrophobicContact CZ-CG2 4.21Å
11V91.3Very high87.8Confident17 Ų1744.4 Ų44.410%0.10323%0.229CC..Hα-helixtrans-59.9-47.2178.6176.10000110.9A7 Q8 A13 I14 E15 F31 I33 F264A7-V11 WeakPolarHBondContact O-CG2 3.38Å; A7-V11 PolarHBondContact O-N 3.47Å; Q8-V11 PolarHBondContact O-N 3.46Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.01Å; V11-I14 PolarHBondContact O-N 3.1Å; V11-I14 VanDerWaalsContact O-N 3.15Å; V11-E15 HydrophobicContact CG1-CG 4.46Å; V11-E15 PolarHBondContact O-N 2.9Å; V11-F31 HydrophobicContact CB-CZ 4.43Å; V11-F31 HydrophobicContact CG1-CZ 4.09Å; V11-F31 HydrophobicContact CG2-CE2 3.8Å; V11-F31 HydrophobicContact CG2-CZ 3.8Å; V11-I33 HydrophobicContact CG2-CD1 3.67Å; V11-F264 HydrophobicContact CG1-CZ 4.21Å
12F90.5Very high89Confident21 Ų2147.4 Ų47.49%0.09224%0.241CC..Hα-helixtrans-55-46.8176.8174.7-101000112.2Q8 F10 I14 E15 E16 A258 I259 F261 F264 Y328Q8-F12 WeakPolarHBondContact O-CB 3.27Å; Q8-F12 PolarHBondContact O-N 3.04Å; F10-F12 PolarHBondContact O-N 3.48Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; F12-E15 PolarHBondContact O-N 3.02Å; F12-E16 WeakPolarHBondContact O-CB 3.3Å; F12-E16 PolarHBondContact O-N 3.46Å; F12-A258 HydrophobicContact CD1-CB 4.08Å; F12-A258 HydrophobicContact CE1-CB 3.87Å; F12-I259 WeakPolarHBondContact CZ-O 3.4Å; F12-F261 HydrophobicContact CB-CD2 3.78Å; F12-F261 HydrophobicContact CB-CE2 4.14Å; F12-F261 HydrophobicContact CD1-CB 4.14Å; F12-F261 HydrophobicContact CD1-CD2 4.09Å; F12-F261 HydrophobicContact CD2-CD2 4.39Å; F12-F261 HydrophobicContact CE1-CB 4.19Å; F12-F261 HydrophobicContact CG-CB 4.47Å; F12-F261 AromaticContact CG-CD2 3.81Å; F12-F261 HydrophobicContact CG-CD2 3.81Å; F12-F264 HydrophobicContact CB-CD1 3.97Å; F12-F264 HydrophobicContact CB-CE1 4.03Å; F12-F264 HydrophobicContact CB-CG 4.28Å; F12-F264 HydrophobicContact CB-CZ 4.39Å; F12-F264 HydrophobicContact CD2-CB 3.61Å; F12-F264 HydrophobicContact CD2-CD1 4.08Å; F12-F264 AromaticContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CE2 4.42Å; F12-F264 AromaticContact CD2-CG 3.54Å; F12-F264 HydrophobicContact CD2-CG 3.54Å; F12-F264 HydrophobicContact CE2-CB 3.96Å; F12-F264 HydrophobicContact CE2-CG 4.34Å; F12-F264 HydrophobicContact CG-CD1 4.4Å; F12-F264 HydrophobicContact CG-CG 4.3Å; F12-Y328 HydrophobicContact CD1-CD2 4.1Å; F12-Y328 HydrophobicContact CD1-CE2 4.06Å; F12-Y328 HydrophobicContact CE1-CD2 4.33Å; F12-Y328 AromaticContact CE1-CE2 3.88Å; F12-Y328 HydrophobicContact CE1-CE2 3.88Å
13A92.2Very high89.8Confident0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-60-44.217800000111.8S9 F10 V11 E16 I17 Y328 V331 Y332S9-A13 PolarHBondContact O-N 3.03Å; S9-A13 VanDerWaalsContact O-N 3.09Å; F10-A13 PolarHBondContact O-N 2.84Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.01Å; A13-E16 PolarHBondContact O-N 2.85Å; A13-I17 WeakPolarHBondContact O-CB 3.37Å; A13-I17 VanDerWaalsContact O-CD1 3.27Å; A13-I17 WeakPolarHBondContact O-CD1 3.19Å; A13-I17 WeakPolarHBondContact O-CG1 3.47Å; A13-I17 PolarHBondContact O-N 3.28Å; A13-Y328 HydrophobicContact CB-CD2 3.64Å; A13-Y328 HydrophobicContact CB-CE2 4.17Å; A13-Y328 HydrophobicContact CB-CG 4.39Å; A13-V331 HydrophobicContact CB-CB 3.86Å; A13-V331 HydrophobicContact CB-CG1 3.83Å; A13-V331 HydrophobicContact CB-CG2 4.3Å; A13-Y332 HydrophobicContact CB-CD2 4.34Å; A13-Y332 HydrophobicContact CB-CE2 4.32Å
14I94Very high90.3Very high8 Ų840.9 Ų40.94%0.04121%0.205CC..Hα-helixtrans-63.6-46.2177.9-65.1-69.2000111.5F10 V11 F12 E16 I17 N18 L29 F31 V331F10-I14 HydrophobicContact CD1-CG1 4.15Å; F10-I14 HydrophobicContact CE1-CD1 4.3Å; F10-I14 HydrophobicContact CE1-CG1 3.67Å; F10-I14 HydrophobicContact CZ-CD1 4.32Å; F10-I14 HydrophobicContact CZ-CG1 4.17Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.4Å; F10-I14 VanDerWaalsContact O-N 3.11Å; V11-I14 PolarHBondContact O-N 3.1Å; V11-I14 VanDerWaalsContact O-N 3.15Å; F12-I14 VanDerWaalsContact C-N 3.35Å; F12-I14 PolarHBondContact O-N 3.46Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.29Å; I14-I17 PolarHBondContact O-N 3.35Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.32Å; I14-N18 WeakPolarHBondContact O-CB 3.39Å; I14-N18 VanDerWaalsContact O-CG 3.29Å; I14-N18 PolarHBondContact O-N 3.43Å; I14-N18 PolarHBondContact O-ND2 2.93Å; I14-L29 HydrophobicContact CD1-CB 4.05Å; I14-L29 HydrophobicContact CD1-CD1 4.14Å; I14-L29 HydrophobicContact CG2-CB 4.24Å; I14-L29 VanDerWaalsContact CG2-O 3.3Å; I14-L29 WeakPolarHBondContact CG2-O 3.38Å; I14-F31 HydrophobicContact CB-CD1 4.26Å; I14-F31 HydrophobicContact CG1-CD1 4.22Å; I14-F31 HydrophobicContact CG2-CD1 3.85Å; I14-F31 HydrophobicContact CG2-CE1 4.18Å; I14-V331 HydrophobicContact CD1-CG1 3.51Å; I14-V331 HydrophobicContact CG1-CG1 4.02Å
15E92.8Very high90.5Very high65 Ų6543 Ų4330%0.30422%0.221SC..Hα-helixtrans-60.9-41177.8-76.4-168.3-158.900112.2V11 F12 R19V11-E15 HydrophobicContact CG1-CG 4.46Å; V11-E15 PolarHBondContact O-N 2.9Å; F12-E15 PolarHBondContact O-N 3.02Å; E15-R19 VanDerWaalsContact O-CG 3.3Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 3.32Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE2-CZ 3.34Å; E15-R19 IonicContact OE2-NH2 2.88Å; E15-R19 PolarHBondContact OE2-NH2 3.22Å
16E92.6Very high90.7Very high43 Ų4349.3 Ų49.320%0.20126%0.258CS..Hα-helixtrans-64.6-45.3177.6-171.4179.9-131.700111.4F12 A13 I14 R19 S20 Y328 Y332F12-E16 WeakPolarHBondContact O-CB 3.3Å; F12-E16 PolarHBondContact O-N 3.46Å; A13-E16 PolarHBondContact O-N 2.85Å; I14-E16 VanDerWaalsContact C-N 3.31Å; I14-E16 PolarHBondContact O-N 3.29Å; E16-R19 PolarHBondContact O-N 3.01Å; E16-S20 PolarHBondContact O-N 3.48Å; E16-Y328 WeakPolarHBondContact OE2-CE2 3.44Å; E16-Y328 VanDerWaalsContact OE2-CZ 3.29Å; E16-Y328 PolarHBondContact OE2-OH 2.85Å; E16-Y332 WeakPolarHBondContact OE2-CE2 3.26Å; E16-Y332 PolarHBondContact OE2-OH 2.89Å
17I94.4Very high90.9Very high2 Ų250.7 Ų50.71%0.0127%0.265CS..Hα-helixtrans-62.8-45.6177.2-67.9159.8000110.7A13 I14 R19 S20 L23 L24 L29 V331 Y332 A335A13-I17 WeakPolarHBondContact O-CB 3.37Å; A13-I17 VanDerWaalsContact O-CD1 3.27Å; A13-I17 WeakPolarHBondContact O-CD1 3.19Å; A13-I17 WeakPolarHBondContact O-CG1 3.47Å; A13-I17 PolarHBondContact O-N 3.28Å; I14-I17 PolarHBondContact O-N 3.35Å; I17-R19 PolarHBondContact O-N 3.26Å; I17-S20 WeakPolarHBondContact O-CB 3.46Å; I17-S20 PolarHBondContact O-N 3.22Å; I17-L23 HydrophobicContact CG1-CD2 4.16Å; I17-L23 HydrophobicContact CG2-CD2 4.26Å; I17-L23 HydrophobicContact CG2-CG 4.41Å; I17-L24 HydrophobicContact CG2-CD1 4.25Å; I17-L29 HydrophobicContact CG2-CD1 3.85Å; I17-V331 HydrophobicContact CD1-CG1 3.71Å; I17-Y332 HydrophobicContact CD1-CD2 4.04Å; I17-Y332 HydrophobicContact CD1-CE2 4Å; I17-Y332 HydrophobicContact CD1-CG 4.31Å; I17-Y332 HydrophobicContact CG1-CD2 4.42Å; I17-Y332 HydrophobicContact CG1-CE1 4.06Å; I17-Y332 HydrophobicContact CG1-CE2 3.92Å; I17-A335 HydrophobicContact CD1-CB 3.73Å; I17-A335 HydrophobicContact CG1-CB 4.44Å; I17-A335 HydrophobicContact CG2-CB 4.2Å
18N95.2Very high91Very high60 Ų6055.6 Ų55.632%0.32129%0.294SS..Hα-helixtrans-65.2-20.8179.4-74-19.5000113.3I14 L29I14-N18 WeakPolarHBondContact CG2-ND2 3.32Å; I14-N18 WeakPolarHBondContact O-CB 3.39Å; I14-N18 VanDerWaalsContact O-CG 3.29Å; I14-N18 PolarHBondContact O-N 3.43Å; I14-N18 PolarHBondContact O-ND2 2.93Å; N18-L29 PolarHBondContact ND2-O 3.46Å; N18-L29 PolarHBondContact OD1-N 2.93Å
19R93.9Very high91.1Very high194 Ų19456.4 Ų56.473%0.73230%0.298SS*.THydrogen-bonded Turntrans-87.7-8.7172.6-70.6175.3-171.315415.1113E15 E16 I17E15-R19 VanDerWaalsContact O-CG 3.3Å; E15-R19 WeakPolarHBondContact O-CG 3.49Å; E15-R19 PolarHBondContact O-N 3.32Å; E15-R19 VanDerWaalsContact O-N 3.15Å; E15-R19 IonicContact OE2-CZ 3.34Å; E15-R19 IonicContact OE2-NH2 2.88Å; E15-R19 PolarHBondContact OE2-NH2 3.22Å; E16-R19 PolarHBondContact O-N 3.01Å; I17-R19 PolarHBondContact O-N 3.26Å
20S91.8Very high91.3Very high42 Ų4259.6 Ų59.629%0.29433%0.331SS..  trans-75.3130.3-177.5-171.20000111.8E16 I17 H22 L23E16-S20 PolarHBondContact O-N 3.48Å; I17-S20 WeakPolarHBondContact O-CB 3.46Å; I17-S20 PolarHBondContact O-N 3.22Å; S20-H22 VanDerWaalsContact C-N 3.3Å; S20-H22 PolarHBondContact OG-N 3.5Å; S20-L23 PolarHBondContact OG-N 3.3Å; S20-L23 VanDerWaalsContact OG-N 3.14Å
21A91.1Very high91.3Very high80 Ų8062.7 Ų62.766%0.66135%0.345SS*.SBendtrans-80.5-12.2170.600000113
22H90.1Very high91.1Very high162 Ų16265.9 Ų65.975%0.7537%0.368SS*.SBendtrans-106.4-41.5-172-61.5-62.7000112.9S20 H339S20-H22 VanDerWaalsContact C-N 3.3Å; S20-H22 PolarHBondContact OG-N 3.5Å; H22-H339 PolarHBondContact O-CE1 3.47Å
23L91.7Very high91Very high14 Ų1467.8 Ų67.87%0.07338%0.379CS..SBendtrans-97.3117.3-178.4-175.362000108.8I17 S20 Y332 A335 H339I17-L23 HydrophobicContact CG1-CD2 4.16Å; I17-L23 HydrophobicContact CG2-CD2 4.26Å; I17-L23 HydrophobicContact CG2-CG 4.41Å; S20-L23 PolarHBondContact OG-N 3.3Å; S20-L23 VanDerWaalsContact OG-N 3.14Å; L23-Y332 HydrophobicContact CD2-CD1 4.08Å; L23-Y332 HydrophobicContact CD2-CE1 3.95Å; L23-A335 HydrophobicContact CD2-CB 4.07Å; L23-H339 HydrophobicContact CD1-CB 3.67Å
24L90.5Very high90.8Very high9 Ų972.1 Ų72.15%0.04740%0.395CS..SBendtrans55.955.4-177.8-60.4173.5000114.1I17 N26 L27 L29 A335 L338 H339 L342I17-L24 HydrophobicContact CG2-CD1 4.25Å; L24-N26 PolarHBondContact O-N 3Å; L24-L27 HydrophobicContact CB-CB 4.35Å; L24-L27 HydrophobicContact CD2-CD1 4.49Å; L24-L27 PolarHBondContact O-N 3.46Å; L24-L29 HydrophobicContact CD1-CD1 3.76Å; L24-L29 HydrophobicContact CD1-CD2 4.02Å; L24-L29 HydrophobicContact CD1-CG 3.98Å; L24-A335 HydrophobicContact CD1-CB 3.98Å; L24-L338 HydrophobicContact CD1-CB 4.42Å; L24-L338 HydrophobicContact CD2-CB 3.99Å; L24-H339 HydrophobicContact CD2-CB 3.81Å; L24-H339 HydrophobicContact CG-CB 4.24Å; L24-H339 PolarHBondContact N-ND1 2.8Å; L24-L342 HydrophobicContact CD2-CD1 4.07Å
25P88.2Confident90.4Very high67 Ų6776.4 Ų76.444%0.43542%0.418SS..THydrogen-bonded Turntrans-61.8137.9179.328.3-34.9000111.1L27P25-L27 PolarHBondContact O-N 3.28Å
26N85.4Confident90.1Very high179 Ų17974.1 Ų74.196%0.95741%0.409SS*.THydrogen-bonded Turntrans64.217.6-178.2-51.9-43.3000115.6L24L24-N26 PolarHBondContact O-N 3Å
27L87.3Confident89.8Confident39 Ų3974.4 Ų74.420%0.20442%0.423CS..  trans-126.1125.8176.4-170.2162.3000109.5L24 P25 L29 L342 S354L24-L27 HydrophobicContact CB-CB 4.35Å; L24-L27 HydrophobicContact CD2-CD1 4.49Å; L24-L27 PolarHBondContact O-N 3.46Å; P25-L27 PolarHBondContact O-N 3.28Å; L27-L29 HydrophobicContact CD2-CD2 3.65Å; L27-L29 HydrophobicContact CD2-CG 4.19Å; L27-L342 HydrophobicContact CD1-CD1 3.77Å; L27-S354 WeakPolarHBondContact CD1-OG 3.39Å
28T90.2Very high89.3Confident119 Ų11978.6 Ų78.673%0.7345%0.446SS*.PPolyproline II helixtrans-98.3121.2175.6-50.30000110G30T28-G30 PolarHBondContact O-N 3.26Å
29L91.5Very high89Confident24 Ų2478 Ų7813%0.12645%0.446CS..PPolyproline II helixtrans-79.6117.6170.4-64.5-179.5000109.8I14 I17 N18 L24 L27 A335 L338I14-L29 HydrophobicContact CD1-CB 4.05Å; I14-L29 HydrophobicContact CD1-CD1 4.14Å; I14-L29 HydrophobicContact CG2-CB 4.24Å; I14-L29 VanDerWaalsContact CG2-O 3.3Å; I14-L29 WeakPolarHBondContact CG2-O 3.38Å; I17-L29 HydrophobicContact CG2-CD1 3.85Å; N18-L29 PolarHBondContact ND2-O 3.46Å; N18-L29 PolarHBondContact OD1-N 2.93Å; L24-L29 HydrophobicContact CD1-CD1 3.76Å; L24-L29 HydrophobicContact CD1-CD2 4.02Å; L24-L29 HydrophobicContact CD1-CG 3.98Å; L27-L29 HydrophobicContact CD2-CD2 3.65Å; L27-L29 HydrophobicContact CD2-CG 4.19Å; L29-A335 HydrophobicContact CD1-CB 4.15Å; L29-L338 HydrophobicContact CD2-CD1 3.89Å
30G91.1Very high88.7Confident69 Ų6971.9 Ų71.971%0.71143%0.43SS*.PPolyproline II helixtrans-88.7168.8166.300000111.7T28T28-G30 PolarHBondContact O-N 3.26Å
31F90.8Very high88.7Confident103 Ų10376.8 Ų76.845%0.45245%0.448SS..  trans-152.7163.9177.462.5-89.5000112.6F10 V11 I14 I33F10-F31 HydrophobicContact CE1-CB 3.44Å; F10-F31 VanDerWaalsContact CE1-CB 3.44Å; F10-F31 HydrophobicContact CE1-CD1 4.42Å; F10-F31 HydrophobicContact CE1-CD2 4.08Å; F10-F31 AromaticContact CE1-CG 3.75Å; F10-F31 HydrophobicContact CE1-CG 3.75Å; F10-F31 HydrophobicContact CZ-CB 3.94Å; V11-F31 HydrophobicContact CB-CZ 4.43Å; V11-F31 HydrophobicContact CG1-CZ 4.09Å; V11-F31 HydrophobicContact CG2-CE2 3.8Å; V11-F31 HydrophobicContact CG2-CZ 3.8Å; I14-F31 HydrophobicContact CB-CD1 4.26Å; I14-F31 HydrophobicContact CG1-CD1 4.22Å; I14-F31 HydrophobicContact CG2-CD1 3.85Å; I14-F31 HydrophobicContact CG2-CE1 4.18Å; F31-I33 HydrophobicContact CD2-CD1 3.99Å; F31-I33 HydrophobicContact CD2-CG1 3.98Å; F31-I33 HydrophobicContact CE2-CD1 3.79Å; F31-I33 HydrophobicContact CE2-CG1 4.27Å
32S88.7Confident88.7Confident84 Ų8473.6 Ų73.659%0.58742%0.423SS*.  trans-137.7126.9170.5174.50000107.9
33I88.1Confident88.8Confident61 Ų6165.9 Ų65.931%0.31339%0.387SS..  trans-102.7124.4178.2-66.6163.1000107.9A7 V11 F31 F278A7-I33 HydrophobicContact CB-CD1 4.26Å; A7-I33 HydrophobicContact CB-CG2 4.23Å; V11-I33 HydrophobicContact CG2-CD1 3.67Å; F31-I33 HydrophobicContact CD2-CD1 3.99Å; F31-I33 HydrophobicContact CD2-CG1 3.98Å; F31-I33 HydrophobicContact CE2-CD1 3.79Å; F31-I33 HydrophobicContact CE2-CG1 4.27Å; I33-F278 HydrophobicContact CG2-CE2 4.21Å
34R87.7Confident88.8Confident90 Ų9067.9 Ų67.934%0.3440%0.398SS..  trans-122.2146.4-176.6-69171176.6-831.3110.2E46R34-E46 HydrophobicContact CB-CB 4.08Å; R34-E46 HydrophobicContact CB-CG 4.01Å; R34-E46 WeakPolarHBondContact CB-OE2 3.36Å; R34-E46 WeakPolarHBondContact CD-OE2 3.17Å; R34-E46 VanDerWaalsContact CG-OE2 3.28Å; R34-E46 WeakPolarHBondContact CG-OE2 3.36Å; R34-E46 IonicContact CZ-OE2 2.77Å; R34-E46 IonicContact NE-OE2 3.73Å; R34-E46 IonicContact NH1-OE2 3.73Å; R34-E46 PolarHBondContact NH1-OE2 3.49Å
35N86.4Confident88.9Confident99 Ų9971.7 Ų71.753%0.52941%0.412SS..  trans-100.5112.9179.5-179.513.7000109.9G37 F278N35-G37 PolarHBondContact O-N 2.89Å; N35-G37 VanDerWaalsContact O-N 3.12Å; N35-G37 PolarHBondContact OD1-N 3.47Å; N35-F278 HydrophobicContact CB-CE1 4.28Å; N35-F278 HydrophobicContact CB-CZ 4.09Å
36S86.4Confident89Confident17 Ų1770.6 Ų70.612%0.11940%0.401CS..  trans-68.4-7.2176.360.20000114D38 S39 G42 A43 D75S36-D38 PolarHBondContact O-N 3.22Å; S36-D38 VanDerWaalsContact O-N 3.1Å; S36-S39 PolarHBondContact O-N 3.5Å; S36-S39 PolarHBondContact O-OG 3.45Å; S36-G42 CarbonylContact O-C 3.55Å; S36-G42 WeakPolarHBondContact O-CA 3.37Å; S36-A43 PolarHBondContact O-N 3.27Å; S36-D75 WeakPolarHBondContact CB-OD2 3.09Å; S36-D75 PolarHBondContact OG-OD2 2.84Å
37G85.9Confident89.4Confident48 Ų4862.1 Ų62.150%0.49536%0.356SS..THydrogen-bonded Turntrans63.816.3-178.900000112.9N35 S39N35-G37 PolarHBondContact O-N 2.89Å; N35-G37 VanDerWaalsContact O-N 3.12Å; N35-G37 PolarHBondContact OD1-N 3.47Å; G37-S39 PolarHBondContact O-N 2.99Å
38D82.4Confident89.5Confident91 Ų9163 Ų6349%0.48736%0.359SS..THydrogen-bonded Turntrans5044.3-173.7-155.945000111.7S36 R77S36-D38 PolarHBondContact O-N 3.22Å; S36-D38 VanDerWaalsContact O-N 3.1Å; D38-R77 PolarHBondContact O-NH2 3.49Å; D38-R77 WeakPolarHBondContact OD1-CD 3.18Å; D38-R77 IonicContact OD1-CZ 3.51Å; D38-R77 IonicContact OD1-NE 3.08Å; D38-R77 PolarHBondContact OD1-NE 3.08Å; D38-R77 IonicContact OD1-NH1 2.76Å; D38-R77 PolarHBondContact OD1-NH1 3.3Å; D38-R77 IonicContact OD1-NH2 3.71Å; D38-R77 PolarHBondContact OD1-NH2 3.12Å; D38-R77 IonicContact OD2-CZ 2.88Å; D38-R77 IonicContact OD2-NE 2.82Å; D38-R77 IonicContact OD2-NH1 3.71Å; D38-R77 PolarHBondContact OD2-NH1 3.37Å; D38-R77 IonicContact OD2-NH2 2.71Å; D38-R77 PolarHBondContact OD2-NH2 2.94Å
39S89Confident89.4Confident46 Ų4657.3 Ų57.332%0.32233%0.325SS..SBendtrans-142148.3178.273.20000111.1S36 G37 H41 G42 A43S36-S39 PolarHBondContact O-N 3.5Å; S36-S39 PolarHBondContact O-OG 3.45Å; G37-S39 PolarHBondContact O-N 2.99Å; S39-H41 VanDerWaalsContact C-N 3.26Å; S39-H41 PolarHBondContact O-N 3.22Å; S39-G42 PolarHBondContact O-N 2.68Å; S39-G42 PolarHBondContact OG-N 3.13Å; S39-A43 WeakPolarHBondContact O-CB 3.4Å; S39-A43 PolarHBondContact O-N 3.32Å
40V89Confident89.3Confident66 Ų6657.7 Ų57.740%0.433%0.326SS..Hα-helixtrans-61.1-40.4178.4173.80000110.8L44 L80 S83V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 WeakPolarHBondContact O-CB 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.25Å; V40-L44 PolarHBondContact O-N 2.83Å; V40-L80 HydrophobicContact CB-CD2 4.45Å; V40-L80 HydrophobicContact CG2-CD2 3.87Å; V40-S83 WeakPolarHBondContact CG1-OG 3.49Å
41H90.9Very high89.1Confident146 Ų14655.4 Ų55.468%0.67630%0.297SS*.Hα-helixtrans-60.9-51.8177177.7-91.7000111.8S39 A43 L44 Y45S39-H41 VanDerWaalsContact C-N 3.26Å; S39-H41 PolarHBondContact O-N 3.22Å; H41-A43 PolarHBondContact O-N 3.05Å; H41-L44 PolarHBondContact O-N 3.05Å; H41-Y45 WeakPolarHBondContact O-CB 3.36Å; H41-Y45 PolarHBondContact O-N 2.97Å
42G91.6Very high88.8Confident13 Ų1351 Ų5113%0.13428%0.279CS..Hα-helixtrans-62.3-42.4178.900000112.5S36 S39 L44 Y45 E46S36-G42 CarbonylContact O-C 3.55Å; S36-G42 WeakPolarHBondContact O-CA 3.37Å; S39-G42 PolarHBondContact O-N 2.68Å; S39-G42 PolarHBondContact OG-N 3.13Å; G42-L44 PolarHBondContact O-N 3.29Å; G42-Y45 PolarHBondContact O-N 2.7Å; G42-E46 WeakPolarHBondContact O-CG 3.39Å; G42-E46 PolarHBondContact O-N 3.48Å
43A92.4Very high88.4Confident0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-59-44.3175.800000112.7S36 S39 H41 T47 L80 M84S36-A43 PolarHBondContact O-N 3.27Å; S39-A43 WeakPolarHBondContact O-CB 3.4Å; S39-A43 PolarHBondContact O-N 3.32Å; H41-A43 PolarHBondContact O-N 3.05Å; A43-T47 WeakPolarHBondContact O-CB 3.47Å; A43-T47 PolarHBondContact O-N 3.38Å; A43-T47 PolarHBondContact O-OG1 2.91Å; A43-L80 HydrophobicContact CB-CB 4.19Å; A43-L80 HydrophobicContact CB-CD2 4.36Å; A43-M84 HydrophobicContact CB-CG 4.03Å; A43-M84 HydrophobicContact CB-SD 3.98Å
44L92.1Very high87.7Confident55 Ų5548.5 Ų48.529%0.28827%0.268SS..Hα-helixtrans-68.2-42.4176.8-75173.4000112.1V40 H41 G42 E46 T47 M48 L87V40-L44 HydrophobicContact CG1-CD1 4.01Å; V40-L44 WeakPolarHBondContact O-CB 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.25Å; V40-L44 PolarHBondContact O-N 2.83Å; H41-L44 PolarHBondContact O-N 3.05Å; G42-L44 PolarHBondContact O-N 3.29Å; L44-E46 PolarHBondContact O-N 3.32Å; L44-T47 PolarHBondContact O-N 3.44Å; L44-M48 WeakPolarHBondContact O-CG 3.36Å; L44-M48 PolarHBondContact O-N 3.38Å; L44-L87 HydrophobicContact CD2-CB 4.45Å; L44-L87 HydrophobicContact CD2-CD2 4.26Å
45Y91.8Very high87Confident90 Ų9052 Ų5235%0.35329%0.288SS..Hα-helixtrans-56.9-50.7177-176.7-90.1000111.1H41 G42 T47 M48 G49 E55 P57H41-Y45 WeakPolarHBondContact O-CB 3.36Å; H41-Y45 PolarHBondContact O-N 2.97Å; G42-Y45 PolarHBondContact O-N 2.7Å; Y45-T47 VanDerWaalsContact C-N 3.33Å; Y45-T47 PolarHBondContact O-N 3.19Å; Y45-M48 PolarHBondContact O-N 3.09Å; Y45-G49 PolarHBondContact O-N 3.46Å; Y45-E55 PolarHBondContact OH-O 3.39Å; Y45-P57 HydrophobicContact CD2-CG 3.97Å; Y45-P57 HydrophobicContact CE2-CG 3.72Å; Y45-P57 HydrophobicContact CG-CG 4.49Å; Y45-P57 VanDerWaalsContact CZ-CD 3.43Å; Y45-P57 WeakPolarHBondContact OH-CD 3.26Å
46E91.4Very high86.7Confident43 Ų4354.6 Ų54.620%0.20130%0.296CS..Hα-helixtrans-66.9-33.4177.9-64.6-55.4149.900112.7R34 G42 L44 G49 F50R34-E46 HydrophobicContact CB-CB 4.08Å; R34-E46 HydrophobicContact CB-CG 4.01Å; R34-E46 WeakPolarHBondContact CB-OE2 3.36Å; R34-E46 WeakPolarHBondContact CD-OE2 3.17Å; R34-E46 VanDerWaalsContact CG-OE2 3.28Å; R34-E46 WeakPolarHBondContact CG-OE2 3.36Å; R34-E46 IonicContact CZ-OE2 2.77Å; R34-E46 IonicContact NE-OE2 3.73Å; R34-E46 IonicContact NH1-OE2 3.73Å; R34-E46 PolarHBondContact NH1-OE2 3.49Å; G42-E46 WeakPolarHBondContact O-CG 3.39Å; G42-E46 PolarHBondContact O-N 3.48Å; L44-E46 PolarHBondContact O-N 3.32Å; E46-G49 PolarHBondContact O-N 2.9Å; E46-F50 PolarHBondContact O-N 2.67Å
47T92.3Very high86.4Confident1 Ų154.8 Ų54.81%0.00630%0.297CS..Hα-helixtrans-66.7-38.1174.3-58.40000111.6A43 L44 Y45 F50 L51 M84 L87 L88A43-T47 WeakPolarHBondContact O-CB 3.47Å; A43-T47 PolarHBondContact O-N 3.38Å; A43-T47 PolarHBondContact O-OG1 2.91Å; L44-T47 PolarHBondContact O-N 3.44Å; Y45-T47 VanDerWaalsContact C-N 3.33Å; Y45-T47 PolarHBondContact O-N 3.19Å; T47-F50 WeakPolarHBondContact O-CB 3.46Å; T47-F50 PolarHBondContact O-N 3.27Å; T47-L51 HydrophobicContact CG2-CD1 4.47Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 3.38Å; T47-M84 WeakPolarHBondContact OG1-CE 3.41Å; T47-M84 WeakPolarHBondContact OG1-CG 3.46Å; T47-L87 HydrophobicContact CG2-CD2 3.91Å; T47-L87 HydrophobicContact CG2-CG 4.44Å; T47-L88 HydrophobicContact CG2-CD1 4.12Å; T47-L88 HydrophobicContact CG2-CD2 3.77Å; T47-L88 HydrophobicContact CG2-CG 3.71Å
48M89.4Confident86Confident57 Ų5756.8 Ų56.828%0.28130%0.296SS..Hα-helixtrans-68.5-38.9172.9-69.217557.900111.2L44 Y45 F50 L51 T52 P57 P59 L87L44-M48 WeakPolarHBondContact O-CG 3.36Å; L44-M48 PolarHBondContact O-N 3.38Å; Y45-M48 PolarHBondContact O-N 3.09Å; M48-F50 VanDerWaalsContact C-N 3.29Å; M48-F50 PolarHBondContact O-N 2.85Å; M48-L51 PolarHBondContact O-N 2.92Å; M48-T52 WeakPolarHBondContact O-CB 3.45Å; M48-T52 VanDerWaalsContact O-CG2 3.29Å; M48-T52 WeakPolarHBondContact O-CG2 3.44Å; M48-T52 PolarHBondContact O-N 2.87Å; M48-T52 PolarHBondContact O-OG1 3.29Å; M48-P57 HydrophobicContact CB-CB 3.57Å; M48-P57 HydrophobicContact CB-CG 4.03Å; M48-P57 HydrophobicContact CE-CB 4.32Å; M48-P59 HydrophobicContact CE-CG 3.82Å; M48-L87 HydrophobicContact CG-CD2 3.67Å
49G88.4Confident85.6Confident1 Ų156.7 Ų56.71%0.0130%0.3CS..Hα-helixtrans-59.9-40.9173.600000111.9Y45 E46 T52 G53 Q54Y45-G49 PolarHBondContact O-N 3.46Å; E46-G49 PolarHBondContact O-N 2.9Å; G49-T52 PolarHBondContact O-OG1 2.87Å; G49-G53 PolarHBondContact O-N 2.88Å; G49-Q54 CarbonylContact C-O 3.58Å; G49-Q54 VanDerWaalsContact CA-O 3.25Å; G49-Q54 WeakPolarHBondContact CA-O 3.34Å; G49-Q54 PolarHBondContact O-N 3.09Å
50F89Confident84.8Confident31 Ų3161.4 Ų61.414%0.13632%0.322CS..Hα-helixtrans-56.3-64.7166.9173.5-99.3000110E46 T47 M48 T52 G53 Q69 L72 L88 F93E46-F50 PolarHBondContact O-N 2.67Å; T47-F50 WeakPolarHBondContact O-CB 3.46Å; T47-F50 PolarHBondContact O-N 3.27Å; M48-F50 VanDerWaalsContact C-N 3.29Å; M48-F50 PolarHBondContact O-N 2.85Å; F50-T52 PolarHBondContact O-N 3.32Å; F50-G53 PolarHBondContact O-N 3.22Å; F50-Q69 HydrophobicContact CE2-CB 3.8Å; F50-Q69 HydrophobicContact CE2-CG 4.12Å; F50-Q69 HydrophobicContact CZ-CB 3.84Å; F50-Q69 PolarHBondContact O-NE2 3.34Å; F50-Q69 PolarHBondContact O-OE1 2.87Å; F50-L72 HydrophobicContact CD1-CD1 4.4Å; F50-L72 HydrophobicContact CG-CD1 4.38Å; F50-L88 HydrophobicContact CD1-CD2 4.1Å; F50-L88 HydrophobicContact CE1-CD2 4.11Å; F50-F93 HydrophobicContact CE1-CB 4.33Å; F50-F93 AromaticContact CE1-CD1 3.77Å; F50-F93 HydrophobicContact CE1-CD1 3.77Å; F50-F93 HydrophobicContact CE1-CE1 4.24Å; F50-F93 HydrophobicContact CE1-CG 4.06Å; F50-F93 AromaticContact CZ-CD1 3.98Å; F50-F93 HydrophobicContact CZ-CD1 3.98Å; F50-F93 HydrophobicContact CZ-CE1 4.32Å
51L87.7Confident84.2Confident22 Ų2263.9 Ų63.912%0.11533%0.325CS..Hα-helixtrans-54.5-32.8-174.7-71.5170.5000115.4T47 M48 L87 L88 Y91 F93T47-L51 HydrophobicContact CG2-CD1 4.47Å; T47-L51 WeakPolarHBondContact O-CG 3.48Å; T47-L51 PolarHBondContact O-N 3.38Å; M48-L51 PolarHBondContact O-N 2.92Å; L51-L87 HydrophobicContact CD1-CD1 4.25Å; L51-L87 HydrophobicContact CD1-CD2 3.97Å; L51-L87 HydrophobicContact CD1-CG 3.74Å; L51-L88 HydrophobicContact CD2-CD2 4.06Å; L51-L88 HydrophobicContact CG-CD2 4.3Å; L51-Y91 HydrophobicContact CD1-CD2 3.73Å; L51-Y91 HydrophobicContact CD1-CE2 3.98Å; L51-Y91 HydrophobicContact CD2-CD2 4.13Å; L51-Y91 HydrophobicContact CD2-CG 4.22Å; L51-F93 HydrophobicContact CD2-CD2 3.37Å; L51-F93 HydrophobicContact CD2-CE2 3.64Å; L51-F93 HydrophobicContact CD2-CG 4.1Å
52T84.5Confident83.2Confident10 Ų1060.8 Ų60.86%0.06132%0.316CS..Hα-helixtrans-88.9-19.9-178.657.50000113.2M48 G49 F50 Q54 P57 I58 Y61 C63M48-T52 WeakPolarHBondContact O-CB 3.45Å; M48-T52 VanDerWaalsContact O-CG2 3.29Å; M48-T52 WeakPolarHBondContact O-CG2 3.44Å; M48-T52 PolarHBondContact O-N 2.87Å; M48-T52 PolarHBondContact O-OG1 3.29Å; G49-T52 PolarHBondContact O-OG1 2.87Å; F50-T52 PolarHBondContact O-N 3.32Å; T52-Q54 VanDerWaalsContact C-N 3.3Å; T52-P57 HydrophobicContact CG2-CB 4.35Å; T52-I58 WeakPolarHBondContact CG2-O 3.45Å; T52-Y61 WeakPolarHBondContact CB-O 3.41Å; T52-Y61 WeakPolarHBondContact CG2-O 3.37Å; T52-C63 PolarHBondContact O-N 3.39Å
53G79.5Confident82Confident41 Ų4162.8 Ų62.842%0.42333%0.327SS..THydrogen-bonded Turntrans72.619.8-174.100000113.9G49 F50G49-G53 PolarHBondContact O-N 2.88Å; F50-G53 PolarHBondContact O-N 3.22Å
54Q74.8Confident80.5Confident52 Ų5270.9 Ų70.924%0.24337%0.366CS..SBendtrans-124.7155.1-177.1-63.2-168-38.300111.4G49 T52 E56 C63G49-Q54 CarbonylContact C-O 3.58Å; G49-Q54 VanDerWaalsContact CA-O 3.25Å; G49-Q54 WeakPolarHBondContact CA-O 3.34Å; G49-Q54 PolarHBondContact O-N 3.09Å; T52-Q54 VanDerWaalsContact C-N 3.3Å; Q54-E56 WeakPolarHBondContact CB-O 3.43Å; Q54-C63 HydrophobicContact CG-CB 4.48Å
55E72.9Confident78.9Confident163 Ų16377.5 Ų77.576%0.76239%0.394SS*.SBendtrans-71.2-35.4172.1-69-170.5163.200112.1Y45 P57Y45-E55 PolarHBondContact OH-O 3.39Å; E55-P57 WeakPolarHBondContact O-CD 3.49Å
56E80.1Confident77.7Confident153 Ų15376.1 Ų76.172%0.71541%0.407SS*.SBendtrans-103.3105.8171.1-67.9-174.4173.200109.2Q54 I58Q54-E56 WeakPolarHBondContact CB-O 3.43Å; E56-I58 PolarHBondContact O-N 3.4Å
57P78.8Confident76.8Confident21 Ų2179 Ų7914%0.13643%0.433CS..  trans-75.3122.8-17227.1-32000112.2Y45 M48 T52 E55Y45-P57 HydrophobicContact CD2-CG 3.97Å; Y45-P57 HydrophobicContact CE2-CG 3.72Å; Y45-P57 HydrophobicContact CG-CG 4.49Å; Y45-P57 VanDerWaalsContact CZ-CD 3.43Å; Y45-P57 WeakPolarHBondContact OH-CD 3.26Å; M48-P57 HydrophobicContact CB-CB 3.57Å; M48-P57 HydrophobicContact CB-CG 4.03Å; M48-P57 HydrophobicContact CE-CB 4.32Å; T52-P57 HydrophobicContact CG2-CB 4.35Å; E55-P57 WeakPolarHBondContact O-CD 3.49Å
58I78.1Confident76.1Confident90 Ų9081.2 Ų81.246%0.46245%0.447SS..  trans-103.8114.5171.4-56.5173.6000108.9T52 E56 N60 Y61T52-I58 WeakPolarHBondContact CG2-O 3.45Å; E56-I58 PolarHBondContact O-N 3.4Å; I58-N60 PolarHBondContact O-N 3.49Å; I58-Y61 PolarHBondContact O-N 3.31Å
59P74.8Confident75.9Confident90 Ų9081.4 Ų81.458%0.58445%0.447SS*.THydrogen-bonded Turntrans-53.7137.8180-24.632.1000112.8M48 Y61M48-P59 HydrophobicContact CE-CG 3.82Å; P59-Y61 PolarHBondContact O-N 3.35Å; P59-Y61 VanDerWaalsContact O-N 3.15Å
60N71.8Confident75.8Confident145 Ų14582.5 Ų82.578%0.77546%0.456SS*.THydrogen-bonded Turntrans60.910.5-179.5-63.1-19.7000116.3I58 Y91I58-N60 PolarHBondContact O-N 3.49Å; N60-Y91 PolarHBondContact OD1-OH 3.35Å
61Y76.3Confident76Confident118 Ų11882 Ų8246%0.46346%0.458SS..  trans-111.6127.2173.1-178.7-98.7000110.2T52 I58 P59 C63T52-Y61 WeakPolarHBondContact CB-O 3.41Å; T52-Y61 WeakPolarHBondContact CG2-O 3.37Å; I58-Y61 PolarHBondContact O-N 3.31Å; P59-Y61 PolarHBondContact O-N 3.35Å; P59-Y61 VanDerWaalsContact O-N 3.15Å; Y61-C63 HydrophobicContact CE1-CB 4.27Å
62T69.9Low76.4Confident80 Ų8082.1 Ų82.149%0.49146%0.458SS..  trans-125.4118.5177.7560000109.9Q64T62-Q64 PolarHBondContact O-N 2.9Å
63C65.8Low76.8Confident55 Ų5583.1 Ų83.137%0.37247%0.465SS..  trans-85.397173.1-167.90000109.2T52 Q54 Y61 H65T52-C63 PolarHBondContact O-N 3.39Å; Q54-C63 HydrophobicContact CG-CB 4.48Å; Y61-C63 HydrophobicContact CE1-CB 4.27Å; C63-H65 PolarHBondContact O-N 3.01Å; C63-H65 VanDerWaalsContact O-N 3.15Å
64Q61.4Low77.3Confident171 Ų17181.3 Ų81.380%0.79945%0.446SS*.  trans-80.722.5-174-69.4-168.4-8.100115.1T62 G66T62-Q64 PolarHBondContact O-N 2.9Å; Q64-G66 PolarHBondContact O-N 2.84Å
65H59.1Low77.9Confident193 Ų19379.8 Ų79.889%0.89444%0.439SS*.SBendtrans-82.618.9-177.7-84.8-50.7000115C63C63-H65 PolarHBondContact O-N 3.01Å; C63-H65 VanDerWaalsContact O-N 3.15Å
66G65.3Low78.3Confident61 Ų6173.7 Ų73.763%0.62941%0.414SS*.SBendtrans-137.8178.6-177.400000114.6Q64Q64-G66 PolarHBondContact O-N 2.84Å
67S72.5Confident78.4Confident105 Ų10570.9 Ų70.973%0.73440%0.396SS*.PPolyproline II helixtrans-57.6146.3176.3-62.30000112.2Q69S67-Q69 PolarHBondContact O-N 3.47Å
68P78.2Confident78.9Confident46 Ų4671 Ų7130%0.29940%0.398SS..PPolyproline II helixtrans-63136-178.928.2-37000111A70 H355 F357P68-A70 PolarHBondContact O-N 3.25Å; P68-H355 WeakPolarHBondContact CD-O 3.36Å; P68-H355 WeakPolarHBondContact CG-O 3.45Å; P68-F357 HydrophobicContact CB-CE1 4.1Å; P68-F357 HydrophobicContact CB-CZ 4.45Å; P68-F357 HydrophobicContact CG-CD1 4.37Å; P68-F357 HydrophobicContact CG-CE1 3.86Å
69Q85.4Confident79.2Confident61 Ų6169.8 Ų69.829%0.28540%0.397SS..PPolyproline II helixtrans-76.5123.9173.1-67.8176.2-3.700110F50 S67 F93F50-Q69 HydrophobicContact CE2-CB 3.8Å; F50-Q69 HydrophobicContact CE2-CG 4.12Å; F50-Q69 HydrophobicContact CZ-CB 3.84Å; F50-Q69 PolarHBondContact O-NE2 3.34Å; F50-Q69 PolarHBondContact O-OE1 2.87Å; S67-Q69 PolarHBondContact O-N 3.47Å; Q69-F93 HydrophobicContact CB-CE1 4.18Å; Q69-F93 WeakPolarHBondContact O-CE1 3.47Å
70A87Confident80Confident25 Ų2565.6 Ų65.621%0.20737%0.37CS..  trans-83.3-70.3-176.400000112P68 L338 F357 L362P68-A70 PolarHBondContact O-N 3.25Å; A70-L338 HydrophobicContact CB-CD1 4.33Å; A70-F357 HydrophobicContact CB-CZ 4.03Å; A70-L362 HydrophobicContact CB-CD2 3.8Å; A70-L362 WeakPolarHBondContact O-CD2 3.35Å
71A92.9Very high81Confident21 Ų2158.7 Ų58.717%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-155.9163.3-171.700000110.5S94 I334 L362A71-S94 WeakPolarHBondContact CA-O 3.46Å; A71-S94 WeakPolarHBondContact CB-O 3.37Å; A71-I334 HydrophobicContact CB-CD1 3.78Å; A71-I334 HydrophobicContact CB-CG1 4.03Å; A71-I334 HydrophobicContact CB-CG2 4.22Å; A71-L362 HydrophobicContact CB-CD2 4.26Å
72L94.5Very high81.9Confident23 Ų2354.2 Ų54.212%0.1232%0.318CS..EExtended strand (participates in β ladder)trans-105.1131.8175.9-170.7147.9000109.9F50 M84 L88 S94 Q95 V96F50-L72 HydrophobicContact CD1-CD1 4.4Å; F50-L72 HydrophobicContact CG-CD1 4.38Å; L72-M84 HydrophobicContact CD1-CE 3.85Å; L72-M84 HydrophobicContact CD2-CE 3.46Å; L72-M84 VanDerWaalsContact CD2-CE 3.46Å; L72-M84 HydrophobicContact CG-CE 4.31Å; L72-L88 HydrophobicContact CB-CD1 4.23Å; L72-L88 HydrophobicContact CD1-CD1 4.24Å; L72-S94 PolarHBondContact N-O 3.22Å; L72-Q95 HydrophobicContact CD2-CG 4.08Å; L72-Q95 CarbonylContact O-C 3.57Å; L72-Q95 WeakPolarHBondContact O-CA 3.49Å; L72-V96 PolarHBondContact O-N 3.45Å
73V94.2Very high83Confident32 Ų3251.7 Ų51.719%0.19430%0.304CS..EExtended strand (participates in β ladder)trans-104.2128.3173.4176.20000109.5F10 V96 Y98 A327 A330 V331 I334F10-V73 HydrophobicContact CD2-CB 4.1Å; F10-V73 HydrophobicContact CD2-CG1 4.13Å; F10-V73 HydrophobicContact CD2-CG2 4.29Å; F10-V73 HydrophobicContact CE2-CB 3.87Å; F10-V73 HydrophobicContact CE2-CG1 4.39Å; F10-V73 HydrophobicContact CE2-CG2 3.77Å; V73-V96 WeakPolarHBondContact CA-O 3.31Å; V73-Y98 HydrophobicContact CG1-CD1 3.77Å; V73-Y98 HydrophobicContact CG1-CE1 4.18Å; V73-A327 HydrophobicContact CG1-CB 4.46Å; V73-A330 HydrophobicContact CG1-CB 3.86Å; V73-A330 HydrophobicContact CG2-CB 4.3Å; V73-V331 HydrophobicContact CG2-CG2 4.43Å; V73-I334 HydrophobicContact CG2-CD1 3.41Å; V73-I334 VanDerWaalsContact CG2-CD1 3.41Å
74G89.4Confident84.4Confident3 Ų349.7 Ų49.73%0.03129%0.289CS..  trans115.6-172.1-175.100000113.1Q95 V96G74-Q95 VanDerWaalsContact O-CG 3.26Å; G74-Q95 WeakPolarHBondContact O-CG 3.49Å; G74-Q95 PolarHBondContact O-NE2 2.7Å; G74-V96 PolarHBondContact N-O 3.5Å
75D87.8Confident86Confident19 Ų1941.5 Ų41.510%0.10225%0.251CS..  cis-88.3178.2-6.3-155.4-34.8000110.4S36 L80 S81 M84 S97 S100S36-D75 WeakPolarHBondContact CB-OD2 3.09Å; S36-D75 PolarHBondContact OG-OD2 2.84Å; D75-L80 HydrophobicContact CB-CB 4.09Å; D75-L80 WeakPolarHBondContact OD2-CD1 3.29Å; D75-S81 PolarHBondContact N-OG 3.43Å; D75-S81 PolarHBondContact O-OG 2.96Å; D75-M84 HydrophobicContact CB-SD 3.76Å; D75-S97 PolarHBondContact O-OG 3.04Å; D75-S100 PolarHBondContact O-OG 3.07Å
76T81.2Confident87.7Confident36 Ų3639.2 Ų39.222%0.22123%0.234CC..SBendtrans-72.1-45.7-179.5-47.50000112Y98 S99T76-Y98 HydrophobicContact CG2-CE2 4.32Å; T76-Y98 PolarHBondContact OG1-OH 3.1Å; T76-S99 CarbonylContact O-C 3.58Å; T76-S99 WeakPolarHBondContact O-CB 3.33Å; T76-S99 PolarHBondContact O-OG 2.92Å
77R82.8Confident89Confident94 Ų9438.1 Ų38.136%0.35521%0.214SC..SBendtrans-91131.8-178.2-65.6-164.1-53.6-161.3-5.3111.4D38 S79 L80 S81D38-R77 PolarHBondContact O-NH2 3.49Å; D38-R77 WeakPolarHBondContact OD1-CD 3.18Å; D38-R77 IonicContact OD1-CZ 3.51Å; D38-R77 IonicContact OD1-NE 3.08Å; D38-R77 PolarHBondContact OD1-NE 3.08Å; D38-R77 IonicContact OD1-NH1 2.76Å; D38-R77 PolarHBondContact OD1-NH1 3.3Å; D38-R77 IonicContact OD1-NH2 3.71Å; D38-R77 PolarHBondContact OD1-NH2 3.12Å; D38-R77 IonicContact OD2-CZ 2.88Å; D38-R77 IonicContact OD2-NE 2.82Å; D38-R77 IonicContact OD2-NH1 3.71Å; D38-R77 PolarHBondContact OD2-NH1 3.37Å; D38-R77 IonicContact OD2-NH2 2.71Å; D38-R77 PolarHBondContact OD2-NH2 2.94Å; R77-S79 VanDerWaalsContact C-N 3.26Å; R77-S79 PolarHBondContact O-N 3.43Å; R77-L80 HydrophobicContact CB-CD1 4.23Å; R77-L80 HydrophobicContact CB-CG 4.06Å; R77-L80 PolarHBondContact O-N 3.29Å; R77-L80 VanDerWaalsContact O-N 3.08Å; R77-S81 PolarHBondContact O-N 3.34Å; R77-S81 VanDerWaalsContact O-N 3.09Å
78S87.9Confident90.1Very high23 Ų2333.1 Ų33.116%0.16118%0.179CC..Hα-helixtrans-56.5-37.4179.4-56.50000113.7L80 S81 V82 S100 S101 L102S78-L80 VanDerWaalsContact C-N 3.32Å; S78-L80 PolarHBondContact O-N 2.83Å; S78-S81 PolarHBondContact O-N 3.44Å; S78-V82 VanDerWaalsContact O-CG2 3.31Å; S78-V82 WeakPolarHBondContact O-CG2 3.2Å; S78-V82 PolarHBondContact O-N 3.01Å; S78-S100 WeakPolarHBondContact OG-CA 3.38Å; S78-S101 PolarHBondContact OG-N 3.06Å; S78-S101 VanDerWaalsContact OG-N 3.16Å; S78-L102 VanDerWaalsContact CB-CB 3.45Å; S78-L102 PolarHBondContact OG-N 3.29Å
79S85.6Confident90.8Very high65 Ų6531.3 Ų31.346%0.45517%0.169SC..Hα-helixtrans-62.7-36.7178.253.50000113.2R77 S83R77-S79 VanDerWaalsContact C-N 3.26Å; R77-S79 PolarHBondContact O-N 3.43Å; S79-S83 PolarHBondContact O-OG 3.32Å
80L90.7Very high91.1Very high1 Ų135 Ų351%0.00519%0.189CC..Hα-helixtrans-70.9-47.9175.1-55.5-175.3000109.8V40 A43 D75 R77 S78 V82 S83 M84V40-L80 HydrophobicContact CB-CD2 4.45Å; V40-L80 HydrophobicContact CG2-CD2 3.87Å; A43-L80 HydrophobicContact CB-CB 4.19Å; A43-L80 HydrophobicContact CB-CD2 4.36Å; D75-L80 HydrophobicContact CB-CB 4.09Å; D75-L80 WeakPolarHBondContact OD2-CD1 3.29Å; R77-L80 HydrophobicContact CB-CD1 4.23Å; R77-L80 HydrophobicContact CB-CG 4.06Å; R77-L80 PolarHBondContact O-N 3.29Å; R77-L80 VanDerWaalsContact O-N 3.08Å; S78-L80 VanDerWaalsContact C-N 3.32Å; S78-L80 PolarHBondContact O-N 2.83Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.17Å; L80-S83 PolarHBondContact O-N 3.11Å; L80-M84 WeakPolarHBondContact O-CG 3.32Å; L80-M84 PolarHBondContact O-N 2.8Å
81S93.6Very high91.3Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-59.5-36178.4-68.60000113.4D75 R77 S78 S83 M84 A85 Q95 S100D75-S81 PolarHBondContact N-OG 3.43Å; D75-S81 PolarHBondContact O-OG 2.96Å; R77-S81 PolarHBondContact O-N 3.34Å; R77-S81 VanDerWaalsContact O-N 3.09Å; S78-S81 PolarHBondContact O-N 3.44Å; S81-S83 VanDerWaalsContact C-N 3.31Å; S81-S83 PolarHBondContact O-N 2.9Å; S81-M84 PolarHBondContact O-N 3.25Å; S81-A85 WeakPolarHBondContact O-CB 3.37Å; S81-A85 PolarHBondContact O-N 2.99Å; S81-Q95 PolarHBondContact OG-NE2 2.93Å; S81-S100 VanDerWaalsContact CB-OG 3.24Å; S81-S100 WeakPolarHBondContact CB-OG 3.32Å; S81-S100 PolarHBondContact OG-OG 3.23Å
82V94Very high91.2Very high24 Ų2443 Ų4315%0.14521%0.214CC..Hα-helixtrans-57.9-44.7173.9164.80000111.3S78 L80 R86 L102 L105 F111S78-V82 VanDerWaalsContact O-CG2 3.31Å; S78-V82 WeakPolarHBondContact O-CG2 3.2Å; S78-V82 PolarHBondContact O-N 3.01Å; L80-V82 VanDerWaalsContact C-N 3.3Å; L80-V82 PolarHBondContact O-N 3.17Å; V82-R86 WeakPolarHBondContact O-CG 3.33Å; V82-R86 PolarHBondContact O-N 3.47Å; V82-L102 HydrophobicContact CG2-CD2 3.95Å; V82-L105 HydrophobicContact CB-CD2 4.43Å; V82-L105 HydrophobicContact CG2-CD1 4.42Å; V82-L105 HydrophobicContact CG2-CD2 3.69Å; V82-L105 HydrophobicContact CG2-CG 4Å; V82-F111 HydrophobicContact CB-CE1 4.49Å; V82-F111 HydrophobicContact CG1-CE1 4.07Å; V82-F111 HydrophobicContact CG1-CZ 4.03Å; V82-F111 HydrophobicContact CG2-CZ 4.34Å
83S93.4Very high91.2Very high28 Ų2843.6 Ų43.620%0.19622%0.215CC..Hα-helixtrans-69.6-44.3-178.3-55.90000111.1V40 S79 L80 S81 L87V40-S83 WeakPolarHBondContact CG1-OG 3.49Å; S79-S83 PolarHBondContact O-OG 3.32Å; L80-S83 PolarHBondContact O-N 3.11Å; S81-S83 VanDerWaalsContact C-N 3.31Å; S81-S83 PolarHBondContact O-N 2.9Å; S83-L87 PolarHBondContact O-N 3.39Å
84M94.6Very high91.2Very high12 Ų1242 Ų426%0.05921%0.206CC..Hα-helixtrans-63.9-45.2177-60.4168.875.300111.9A43 T47 L72 D75 L80 S81 R86 L87 L88A43-M84 HydrophobicContact CB-CG 4.03Å; A43-M84 HydrophobicContact CB-SD 3.98Å; T47-M84 WeakPolarHBondContact OG1-CE 3.41Å; T47-M84 WeakPolarHBondContact OG1-CG 3.46Å; L72-M84 HydrophobicContact CD1-CE 3.85Å; L72-M84 HydrophobicContact CD2-CE 3.46Å; L72-M84 VanDerWaalsContact CD2-CE 3.46Å; L72-M84 HydrophobicContact CG-CE 4.31Å; D75-M84 HydrophobicContact CB-SD 3.76Å; L80-M84 WeakPolarHBondContact O-CG 3.32Å; L80-M84 PolarHBondContact O-N 2.8Å; S81-M84 PolarHBondContact O-N 3.25Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.74Å; M84-L87 PolarHBondContact O-N 3.07Å; M84-L87 VanDerWaalsContact O-N 3.14Å; M84-L88 HydrophobicContact CB-CD1 4.41Å; M84-L88 WeakPolarHBondContact O-CB 3.37Å; M84-L88 WeakPolarHBondContact O-CG 3.44Å; M84-L88 PolarHBondContact O-N 3.36Å
85A95.9Very high91.5Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-64.5-34.9-176.500000112.5S81 G89 Q95 L105 F111 F114S81-A85 WeakPolarHBondContact O-CB 3.37Å; S81-A85 PolarHBondContact O-N 2.99Å; A85-G89 WeakPolarHBondContact O-CA 3.48Å; A85-G89 PolarHBondContact O-N 3.47Å; A85-Q95 VanDerWaalsContact N-OE1 3.07Å; A85-L105 HydrophobicContact CB-CD2 4.39Å; A85-F111 HydrophobicContact CB-CD1 3.63Å; A85-F111 HydrophobicContact CB-CE1 4.31Å; A85-F111 HydrophobicContact CB-CG 4.44Å; A85-F114 HydrophobicContact CB-CB 4.11Å; A85-F114 HydrophobicContact CB-CD2 3.95Å; A85-F114 HydrophobicContact CB-CG 4.37Å
86R94.7Very high91.9Very high144 Ų14441 Ų4154%0.54320%0.2SC..Hα-helixtrans-60.9-47.8172.9-78.4175.3175.5178.2-1.8111.2V82 M84 F111V82-R86 WeakPolarHBondContact O-CG 3.33Å; V82-R86 PolarHBondContact O-N 3.47Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 2.74Å; R86-F111 HydrophobicContact CG-CD1 4.28Å; R86-F111 HydrophobicContact CG-CE1 3.78Å
87L93.1Very high92.5Very high38 Ų3839.3 Ų39.320%0.19919%0.189CC..Hα-helixtrans-67.3-48.5-179.5-178.660000111.5L44 T47 M48 L51 S83 M84 G89 L90 Y91L44-L87 HydrophobicContact CD2-CB 4.45Å; L44-L87 HydrophobicContact CD2-CD2 4.26Å; T47-L87 HydrophobicContact CG2-CD2 3.91Å; T47-L87 HydrophobicContact CG2-CG 4.44Å; M48-L87 HydrophobicContact CG-CD2 3.67Å; L51-L87 HydrophobicContact CD1-CD1 4.25Å; L51-L87 HydrophobicContact CD1-CD2 3.97Å; L51-L87 HydrophobicContact CD1-CG 3.74Å; S83-L87 PolarHBondContact O-N 3.39Å; M84-L87 PolarHBondContact O-N 3.07Å; M84-L87 VanDerWaalsContact O-N 3.14Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.37Å; L87-L90 PolarHBondContact O-N 3.3Å; L87-Y91 HydrophobicContact CD1-CE2 4.03Å; L87-Y91 WeakPolarHBondContact O-CD2 3.31Å
88L94.5Very high92.8Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-64.2-33.1179.2-68.9167.5000112.4T47 F50 L51 L72 M84 L90 Y91 K92 F93 Q95T47-L88 HydrophobicContact CG2-CD1 4.12Å; T47-L88 HydrophobicContact CG2-CD2 3.77Å; T47-L88 HydrophobicContact CG2-CG 3.71Å; F50-L88 HydrophobicContact CD1-CD2 4.1Å; F50-L88 HydrophobicContact CE1-CD2 4.11Å; L51-L88 HydrophobicContact CD2-CD2 4.06Å; L51-L88 HydrophobicContact CG-CD2 4.3Å; L72-L88 HydrophobicContact CB-CD1 4.23Å; L72-L88 HydrophobicContact CD1-CD1 4.24Å; M84-L88 HydrophobicContact CB-CD1 4.41Å; M84-L88 WeakPolarHBondContact O-CB 3.37Å; M84-L88 WeakPolarHBondContact O-CG 3.44Å; M84-L88 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3Å; L88-Y91 CarbonylContact O-C 3.47Å; L88-Y91 PolarHBondContact O-N 3.04Å; L88-K92 PolarHBondContact O-N 3.36Å; L88-F93 HydrophobicContact CB-CB 4.4Å; L88-F93 HydrophobicContact CD2-CB 3.76Å; L88-F93 PolarHBondContact O-N 3.44Å; L88-Q95 HydrophobicContact CD1-CB 3.77Å; L88-Q95 HydrophobicContact CD1-CG 4.17Å
89G94Very high92.7Very high9 Ų937 Ų379%0.09318%0.184CC..Hα-helixtrans-59.4-38.7176.700000113.5A85 L87 Y91 K92 S113A85-G89 WeakPolarHBondContact O-CA 3.48Å; A85-G89 PolarHBondContact O-N 3.47Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.37Å; G89-Y91 VanDerWaalsContact C-N 3.3Å; G89-Y91 PolarHBondContact O-N 2.86Å; G89-K92 PolarHBondContact O-N 2.96Å; G89-S113 VanDerWaalsContact CA-OG 3.28Å; G89-S113 WeakPolarHBondContact CA-OG 3.44Å; G89-S113 PolarHBondContact N-OG 2.88Å
90L91.8Very high92.8Very high137 Ų13733.9 Ų33.972%0.71716%0.162SC*.Hα-helixtrans-61.2-40177.4-64.2172000111.9L87 L88L87-L90 PolarHBondContact O-N 3.3Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3Å
91Y89.8Confident92.7Very high102 Ų10235 Ų3540%0.417%0.171SC..THydrogen-bonded Turntrans-954.3-179.3-60.8-79.1000113.4L51 N60 L87 L88 G89 F93 S359L51-Y91 HydrophobicContact CD1-CD2 3.73Å; L51-Y91 HydrophobicContact CD1-CE2 3.98Å; L51-Y91 HydrophobicContact CD2-CD2 4.13Å; L51-Y91 HydrophobicContact CD2-CG 4.22Å; N60-Y91 PolarHBondContact OD1-OH 3.35Å; L87-Y91 HydrophobicContact CD1-CE2 4.03Å; L87-Y91 WeakPolarHBondContact O-CD2 3.31Å; L88-Y91 CarbonylContact O-C 3.47Å; L88-Y91 PolarHBondContact O-N 3.04Å; G89-Y91 VanDerWaalsContact C-N 3.3Å; G89-Y91 PolarHBondContact O-N 2.86Å; Y91-F93 PolarHBondContact O-N 2.93Å; Y91-S359 PolarHBondContact O-OG 3.41Å
92K91.8Very high92.4Very high114 Ų11437.1 Ų37.150%0.49618%0.181SC..THydrogen-bonded Turntrans56.726.4-179.5-53.9179-179.4176.30114.3L88 G89 S359 W360L88-K92 PolarHBondContact O-N 3.36Å; G89-K92 PolarHBondContact O-N 2.96Å; K92-S359 CarbonylContact O-C 3.38Å; K92-S359 WeakPolarHBondContact O-CB 3.05Å; K92-W360 HydrophobicContact CB-CB 4.01Å; K92-W360 HydrophobicContact CD-CB 3.73Å
93F93.4Very high92.2Very high34 Ų3436.5 Ų36.515%0.14918%0.178CC..  trans-78.6131.1172.3-81.9-85.7000110.3F50 L51 Q69 L88 Y91 Q95 S113F50-F93 HydrophobicContact CE1-CB 4.33Å; F50-F93 AromaticContact CE1-CD1 3.77Å; F50-F93 HydrophobicContact CE1-CD1 3.77Å; F50-F93 HydrophobicContact CE1-CE1 4.24Å; F50-F93 HydrophobicContact CE1-CG 4.06Å; F50-F93 AromaticContact CZ-CD1 3.98Å; F50-F93 HydrophobicContact CZ-CD1 3.98Å; F50-F93 HydrophobicContact CZ-CE1 4.32Å; L51-F93 HydrophobicContact CD2-CD2 3.37Å; L51-F93 HydrophobicContact CD2-CE2 3.64Å; L51-F93 HydrophobicContact CD2-CG 4.1Å; Q69-F93 HydrophobicContact CB-CE1 4.18Å; Q69-F93 WeakPolarHBondContact O-CE1 3.47Å; L88-F93 HydrophobicContact CB-CB 4.4Å; L88-F93 HydrophobicContact CD2-CB 3.76Å; L88-F93 PolarHBondContact O-N 3.44Å; Y91-F93 PolarHBondContact O-N 2.93Å; F93-Q95 PolarHBondContact O-N 3.11Å; F93-S113 WeakPolarHBondContact O-CB 3.42Å; F93-S113 PolarHBondContact O-OG 3.09Å
94S95.2Very high92Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-69126.6178.2-59.60000110.7A71 L72 S113 L363A71-S94 WeakPolarHBondContact CA-O 3.46Å; A71-S94 WeakPolarHBondContact CB-O 3.37Å; L72-S94 PolarHBondContact N-O 3.22Å; S94-S113 WeakPolarHBondContact CA-O 3.39Å; S94-L363 VanDerWaalsContact OG-CA 3.3Å; S94-L363 WeakPolarHBondContact OG-CA 3.05Å; S94-L363 WeakPolarHBondContact OG-CB 3.41Å; S94-L363 WeakPolarHBondContact OG-CD1 3.26Å
95Q96.2Very high91.9Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-105.2123.3164.7-176.8179.3-12.300108.5L72 G74 S81 A85 L88 F93 S113 F114 L115L72-Q95 HydrophobicContact CD2-CG 4.08Å; L72-Q95 CarbonylContact O-C 3.57Å; L72-Q95 WeakPolarHBondContact O-CA 3.49Å; G74-Q95 VanDerWaalsContact O-CG 3.26Å; G74-Q95 WeakPolarHBondContact O-CG 3.49Å; G74-Q95 PolarHBondContact O-NE2 2.7Å; S81-Q95 PolarHBondContact OG-NE2 2.93Å; A85-Q95 VanDerWaalsContact N-OE1 3.07Å; L88-Q95 HydrophobicContact CD1-CB 3.77Å; L88-Q95 HydrophobicContact CD1-CG 4.17Å; F93-Q95 PolarHBondContact O-N 3.11Å; Q95-S113 PolarHBondContact N-O 3.19Å; Q95-F114 HydrophobicContact CB-CD2 4.26Å; Q95-F114 HydrophobicContact CG-CD2 4.1Å; Q95-F114 HydrophobicContact CG-CE2 4.38Å; Q95-L115 PolarHBondContact O-N 3.23Å; Q95-L115 VanDerWaalsContact O-O 3.07Å
96V95.8Very high91.7Very high0 Ų037.7 Ų37.70%019%0.188CC..EExtended strand (participates in β ladder)trans-112.897.5174.3-169.20000108.9L72 V73 G74 L115 T117 A330 I334 L366L72-V96 PolarHBondContact O-N 3.45Å; V73-V96 WeakPolarHBondContact CA-O 3.31Å; G74-V96 PolarHBondContact N-O 3.5Å; V96-L115 CarbonylContact C-O 3.53Å; V96-L115 WeakPolarHBondContact CA-O 3.49Å; V96-T117 HydrophobicContact CG1-CG2 3.86Å; V96-A330 HydrophobicContact CB-CB 4.21Å; V96-A330 HydrophobicContact CG1-CB 3.61Å; V96-I334 HydrophobicContact CB-CD1 4.38Å; V96-I334 HydrophobicContact CG2-CD1 4.03Å; V96-I334 HydrophobicContact CG2-CG1 3.97Å; V96-L366 HydrophobicContact CG2-CD2 3.61Å
97S93.8Very high91.6Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-82.8139.2177.7-178.90000111.4D75 S99 S100 L115 R116 T117D75-S97 PolarHBondContact O-OG 3.04Å; S97-S99 PolarHBondContact OG-N 3.36Å; S97-S100 WeakPolarHBondContact OG-CB 3.34Å; S97-S100 PolarHBondContact OG-N 3.35Å; S97-S100 PolarHBondContact OG-OG 3.21Å; S97-S100 VanDerWaalsContact OG-OG 3.05Å; S97-L115 PolarHBondContact N-O 3.07Å; S97-R116 CarbonylContact O-C 3.46Å; S97-R116 WeakPolarHBondContact O-CA 3.45Å; S97-R116 VanDerWaalsContact O-CB 3.29Å; S97-R116 WeakPolarHBondContact O-CB 3.2Å; S97-T117 PolarHBondContact O-N 3.04Å
98Y88.4Confident91.7Very high23 Ų2333.8 Ų33.89%0.0918%0.176CC..SBendtrans-98.3-6.1176.755.7-102000114.1V6 V73 T76 L118 A326 A327V6-Y98 HydrophobicContact CG1-CD1 4.34Å; V6-Y98 HydrophobicContact CG1-CD2 4.24Å; V6-Y98 HydrophobicContact CG1-CE1 3.83Å; V6-Y98 HydrophobicContact CG1-CE2 3.76Å; V6-Y98 HydrophobicContact CG2-CE2 4.49Å; V73-Y98 HydrophobicContact CG1-CD1 3.77Å; V73-Y98 HydrophobicContact CG1-CE1 4.18Å; T76-Y98 HydrophobicContact CG2-CE2 4.32Å; T76-Y98 PolarHBondContact OG1-OH 3.1Å; Y98-L118 VanDerWaalsContact C-CD2 3.5Å; Y98-A326 VanDerWaalsContact CB-C 3.44Å; Y98-A326 WeakPolarHBondContact CB-O 3.43Å; Y98-A326 HydrophobicContact CD2-CB 3.64Å; Y98-A326 HydrophobicContact CG-CB 4Å; Y98-A327 HydrophobicContact CD1-CB 4.35Å
99S85.9Confident91.6Very high45 Ų4541.3 Ų41.332%0.31521%0.214SC..SBendtrans-144.7-3.7-178.2-175.50000115.4T76 S97 S101T76-S99 CarbonylContact O-C 3.58Å; T76-S99 WeakPolarHBondContact O-CB 3.33Å; T76-S99 PolarHBondContact O-OG 2.92Å; S97-S99 PolarHBondContact OG-N 3.36Å; S99-S101 PolarHBondContact O-N 2.99Å
100S89.2Confident91.7Very high0 Ų045.6 Ų45.60%023%0.232CC..  trans-81103.2-179.5-64.50000111.8D75 S78 S81 S97 R116D75-S100 PolarHBondContact O-OG 3.07Å; S78-S100 WeakPolarHBondContact OG-CA 3.38Å; S81-S100 VanDerWaalsContact CB-OG 3.24Å; S81-S100 WeakPolarHBondContact CB-OG 3.32Å; S81-S100 PolarHBondContact OG-OG 3.23Å; S97-S100 WeakPolarHBondContact OG-CB 3.34Å; S97-S100 PolarHBondContact OG-N 3.35Å; S97-S100 PolarHBondContact OG-OG 3.21Å; S97-S100 VanDerWaalsContact OG-OG 3.05Å; S100-R116 WeakPolarHBondContact O-CD 3.39Å; S100-R116 PolarHBondContact O-NH1 3.49Å; S100-R116 VanDerWaalsContact O-NH1 3.09Å
101S87.8Confident91.9Very high26 Ų2639.2 Ų39.218%0.18220%0.198CC..  trans-95.7-7.8-171.861.30000114.9S78 S99 R116 D121S78-S101 PolarHBondContact OG-N 3.06Å; S78-S101 VanDerWaalsContact OG-N 3.16Å; S99-S101 PolarHBondContact O-N 2.99Å; S101-R116 PolarHBondContact O-NH1 3.34Å; S101-D121 VanDerWaalsContact C-OD2 3.24Å; S101-D121 VanDerWaalsContact CB-CG 3.46Å; S101-D121 WeakPolarHBondContact CB-OD1 3.27Å; S101-D121 WeakPolarHBondContact CB-OD2 3.4Å; S101-D121 WeakPolarHBondContact O-CB 3.44Å; S101-D121 VanDerWaalsContact O-CG 3.28Å; S101-D121 PolarHBondContact O-N 3.36Å; S101-D121 PolarHBondContact OG-OD1 3.44Å; S101-D121 VanDerWaalsContact OG-OD1 3.08Å; S101-D121 PolarHBondContact OG-OD2 3.22Å
102L87.8Confident92.1Very high43 Ų4336.6 Ų36.623%0.22519%0.194CC..  trans-55.8133.9-173.7-174.270.4000111.1S78 V82 S104 L105 R116S78-L102 VanDerWaalsContact CB-CB 3.45Å; S78-L102 PolarHBondContact OG-N 3.29Å; V82-L102 HydrophobicContact CG2-CD2 3.95Å; L102-S104 VanDerWaalsContact CD2-OG 3.22Å; L102-S104 WeakPolarHBondContact CD2-OG 3.26Å; L102-S104 WeakPolarHBondContact CG-OG 3.47Å; L102-S104 PolarHBondContact O-N 3.41Å; L102-L105 HydrophobicContact CB-CD1 4.14Å; L102-L105 PolarHBondContact O-N 3.35Å; L102-R116 PolarHBondContact O-NH1 2.98Å
103P88.4Confident92.3Very high12 Ų1231.2 Ų31.28%0.07817%0.17CC..G310 helixtrans-67.5-31.2-173.7-22.333.7000114.6L105 S106 D121 I122P103-L105 PolarHBondContact O-N 2.93Å; P103-S106 VanDerWaalsContact O-CB 3.32Å; P103-S106 WeakPolarHBondContact O-CB 3.42Å; P103-S106 PolarHBondContact O-N 3.07Å; P103-S106 PolarHBondContact O-OG 2.99Å; P103-D121 HydrophobicContact CG-CB 3.81Å; P103-I122 HydrophobicContact CB-CB 4.45Å; P103-I122 HydrophobicContact CB-CD1 3.41Å; P103-I122 VanDerWaalsContact CB-CD1 3.41Å; P103-I122 HydrophobicContact CB-CG1 3.69Å; P103-I122 HydrophobicContact CG-CB 4.45Å; P103-I122 HydrophobicContact CG-CD1 3.86Å; P103-I122 HydrophobicContact CG-CG1 3.6Å
104S89.1Confident92.5Very high49 Ų4929.6 Ų29.634%0.34316%0.163SC..G310 helixtrans-62.3-25.9-178.657.70000113.5L102 S106 D107 F111L102-S104 VanDerWaalsContact CD2-OG 3.22Å; L102-S104 WeakPolarHBondContact CD2-OG 3.26Å; L102-S104 WeakPolarHBondContact CG-OG 3.47Å; L102-S104 PolarHBondContact O-N 3.41Å; S104-S106 PolarHBondContact O-N 3.39Å; S104-S106 VanDerWaalsContact O-N 3.12Å; S104-D107 WeakPolarHBondContact O-CB 2.9Å; S104-D107 PolarHBondContact O-N 3.31Å; S104-F111 VanDerWaalsContact O-CD2 3.26Å; S104-F111 WeakPolarHBondContact O-CD2 3.26Å; S104-F111 VanDerWaalsContact O-CE2 3.23Å; S104-F111 WeakPolarHBondContact O-CE2 3.48Å
105L92.4Very high92.6Very high0 Ų029.6 Ų29.60%016%0.163CC..G310 helixtrans-64.4-13.7175.8-71.8166.8000113.7V82 A85 L102 P103 D107 K108 F111 F114V82-L105 HydrophobicContact CB-CD2 4.43Å; V82-L105 HydrophobicContact CG2-CD1 4.42Å; V82-L105 HydrophobicContact CG2-CD2 3.69Å; V82-L105 HydrophobicContact CG2-CG 4Å; A85-L105 HydrophobicContact CB-CD2 4.39Å; L102-L105 HydrophobicContact CB-CD1 4.14Å; L102-L105 PolarHBondContact O-N 3.35Å; P103-L105 PolarHBondContact O-N 2.93Å; L105-D107 VanDerWaalsContact C-N 3.32Å; L105-K108 PolarHBondContact O-NZ 2.74Å; L105-F111 HydrophobicContact CD2-CD1 4.21Å; L105-F111 HydrophobicContact CD2-CD2 4.41Å; L105-F111 HydrophobicContact CD2-CE1 4.19Å; L105-F111 HydrophobicContact CD2-CE2 4.44Å; L105-F111 HydrophobicContact CD2-CG 4.29Å; L105-F111 HydrophobicContact CD2-CZ 4.32Å; L105-F114 HydrophobicContact CB-CD1 3.78Å; L105-F114 HydrophobicContact CB-CE1 3.56Å; L105-F114 HydrophobicContact CB-CG 4.49Å; L105-F114 HydrophobicContact CB-CZ 4.1Å; L105-F114 HydrophobicContact CD1-CE1 4.09Å; L105-F114 HydrophobicContact CD1-CE2 4.24Å; L105-F114 HydrophobicContact CD1-CZ 3.74Å; L105-F114 HydrophobicContact CD2-CD1 4.37Å; L105-F114 HydrophobicContact CD2-CD2 4.2Å; L105-F114 HydrophobicContact CD2-CE1 4.38Å; L105-F114 HydrophobicContact CD2-CE2 4.19Å; L105-F114 HydrophobicContact CD2-CG 4.28Å; L105-F114 HydrophobicContact CD2-CZ 4.29Å; L105-F114 HydrophobicContact CG-CE1 4.22Å; L105-F114 HydrophobicContact CG-CZ 4.27Å; L105-F114 WeakPolarHBondContact O-CD1 3.24Å
106S92.6Very high92.4Very high16 Ų1629.6 Ų29.611%0.11216%0.163CC..G310 helixtrans-79.5-16.6176.2-23.10000111.9P103 S104 K108 R116 D386P103-S106 VanDerWaalsContact O-CB 3.32Å; P103-S106 WeakPolarHBondContact O-CB 3.42Å; P103-S106 PolarHBondContact O-N 3.07Å; P103-S106 PolarHBondContact O-OG 2.99Å; S104-S106 PolarHBondContact O-N 3.39Å; S104-S106 VanDerWaalsContact O-N 3.12Å; S106-K108 PolarHBondContact O-N 3.07Å; S106-K108 VanDerWaalsContact O-N 3.14Å; S106-R116 PolarHBondContact OG-NH2 3.29Å; S106-D386 PolarHBondContact OG-OD2 2.03Å
107D93.6Very high92.2Very high57 Ų5730 Ų3031%0.30517%0.166SC..  trans-69.3105.6175.9-179.6-5.5000110.8S104 L105 I109 Q110 F111S104-D107 WeakPolarHBondContact O-CB 2.9Å; S104-D107 PolarHBondContact O-N 3.31Å; L105-D107 VanDerWaalsContact C-N 3.32Å; D107-I109 VanDerWaalsContact C-N 3.28Å; D107-I109 PolarHBondContact O-N 2.66Å; D107-I109 WeakPolarHBondContact OD1-CA 3.04Å; D107-I109 VanDerWaalsContact OD1-CB 3.27Å; D107-I109 WeakPolarHBondContact OD1-CB 3.39Å; D107-I109 PolarHBondContact OD1-N 2.87Å; D107-Q110 HydrophobicContact CB-CB 4.45Å; D107-Q110 PolarHBondContact O-N 3.45Å; D107-Q110 PolarHBondContact OD1-N 3.44Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.35Å; D107-Q110 PolarHBondContact OD2-NE2 3.1Å; D107-F111 PolarHBondContact O-N 3.25Å
108K93.8Very high91.9Very high43 Ų4330.4 Ų30.419%0.18717%0.168CC..THydrogen-bonded Turntrans-78-6.6-179.7-61.4-52.4174.8-141.10115L105 S106 F111 P112 F114 N384L105-K108 PolarHBondContact O-NZ 2.74Å; S106-K108 PolarHBondContact O-N 3.07Å; S106-K108 VanDerWaalsContact O-N 3.14Å; K108-F111 WeakPolarHBondContact CD-O 3.46Å; K108-P112 VanDerWaalsContact O-CA 3.31Å; K108-P112 WeakPolarHBondContact O-CA 2.91Å; K108-P112 WeakPolarHBondContact O-CB 3.34Å; K108-F114 PolarHBondContact NZ-O 3.05Å; K108-N384 WeakPolarHBondContact CE-O 3.32Å; K108-N384 PolarHBondContact NZ-O 3.24Å
109I93.7Very high91.9Very high158 Ų15829.5 Ų29.581%0.8117%0.165SC*.THydrogen-bonded Turntrans-74.7-46.7168.2-57.7176.7000108.6D107D107-I109 VanDerWaalsContact C-N 3.28Å; D107-I109 PolarHBondContact O-N 2.66Å; D107-I109 WeakPolarHBondContact OD1-CA 3.04Å; D107-I109 VanDerWaalsContact OD1-CB 3.27Å; D107-I109 WeakPolarHBondContact OD1-CB 3.39Å; D107-I109 PolarHBondContact OD1-N 2.87Å
110Q94.3Very high92Very high99 Ų9927.6 Ų27.646%0.46315%0.152SC..THydrogen-bonded Turntrans-80.3-36.9179.2-70.9-175.268.600113.6D107 P112D107-Q110 HydrophobicContact CB-CB 4.45Å; D107-Q110 PolarHBondContact O-N 3.45Å; D107-Q110 PolarHBondContact OD1-N 3.44Å; D107-Q110 WeakPolarHBondContact OD2-CG 3.35Å; D107-Q110 PolarHBondContact OD2-NE2 3.1Å; Q110-P112 VanDerWaalsContact C-CD 3.46Å; Q110-P112 WeakPolarHBondContact O-CD 3.48Å
111F96.1Very high91.9Very high2 Ų228.2 Ų28.21%0.00916%0.155CC..  trans-127.365-173.6-49.9-76.2000111.4V82 A85 R86 S104 L105 D107 K108 S113 F114V82-F111 HydrophobicContact CB-CE1 4.49Å; V82-F111 HydrophobicContact CG1-CE1 4.07Å; V82-F111 HydrophobicContact CG1-CZ 4.03Å; V82-F111 HydrophobicContact CG2-CZ 4.34Å; A85-F111 HydrophobicContact CB-CD1 3.63Å; A85-F111 HydrophobicContact CB-CE1 4.31Å; A85-F111 HydrophobicContact CB-CG 4.44Å; R86-F111 HydrophobicContact CG-CD1 4.28Å; R86-F111 HydrophobicContact CG-CE1 3.78Å; S104-F111 VanDerWaalsContact O-CD2 3.26Å; S104-F111 WeakPolarHBondContact O-CD2 3.26Å; S104-F111 VanDerWaalsContact O-CE2 3.23Å; S104-F111 WeakPolarHBondContact O-CE2 3.48Å; L105-F111 HydrophobicContact CD2-CD1 4.21Å; L105-F111 HydrophobicContact CD2-CD2 4.41Å; L105-F111 HydrophobicContact CD2-CE1 4.19Å; L105-F111 HydrophobicContact CD2-CE2 4.44Å; L105-F111 HydrophobicContact CD2-CG 4.29Å; L105-F111 HydrophobicContact CD2-CZ 4.32Å; D107-F111 PolarHBondContact O-N 3.25Å; K108-F111 WeakPolarHBondContact CD-O 3.46Å; F111-S113 PolarHBondContact O-N 3.42Å; F111-S113 VanDerWaalsContact O-N 3.16Å; F111-F114 HydrophobicContact CB-CB 3.86Å; F111-F114 PolarHBondContact O-N 2.99Å
112P95.4Very high91.8Very high48 Ų4830 Ų3031%0.31216%0.162SC..THydrogen-bonded Turntrans-64.4-23.9-169.724.7-35.5000114.8K108 Q110 K367K108-P112 VanDerWaalsContact O-CA 3.31Å; K108-P112 WeakPolarHBondContact O-CA 2.91Å; K108-P112 WeakPolarHBondContact O-CB 3.34Å; Q110-P112 VanDerWaalsContact C-CD 3.46Å; Q110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-K367 PolarHBondContact O-NZ 3.38Å
113S96Very high91.9Very high0 Ų030.1 Ų30.10%016%0.164CC..THydrogen-bonded Turntrans-112.88.3-177.370.10000114.6G89 F93 S94 Q95 F111G89-S113 VanDerWaalsContact CA-OG 3.28Å; G89-S113 WeakPolarHBondContact CA-OG 3.44Å; G89-S113 PolarHBondContact N-OG 2.88Å; F93-S113 WeakPolarHBondContact O-CB 3.42Å; F93-S113 PolarHBondContact O-OG 3.09Å; S94-S113 WeakPolarHBondContact CA-O 3.39Å; Q95-S113 PolarHBondContact N-O 3.19Å; F111-S113 PolarHBondContact O-N 3.42Å; F111-S113 VanDerWaalsContact O-N 3.16Å
114F97.1Very high91.8Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-85.4133.5174.3-178.1-92.9000110.7A85 Q95 L105 K108 F111 R116A85-F114 HydrophobicContact CB-CB 4.11Å; A85-F114 HydrophobicContact CB-CD2 3.95Å; A85-F114 HydrophobicContact CB-CG 4.37Å; Q95-F114 HydrophobicContact CB-CD2 4.26Å; Q95-F114 HydrophobicContact CG-CD2 4.1Å; Q95-F114 HydrophobicContact CG-CE2 4.38Å; L105-F114 HydrophobicContact CB-CD1 3.78Å; L105-F114 HydrophobicContact CB-CE1 3.56Å; L105-F114 HydrophobicContact CB-CG 4.49Å; L105-F114 HydrophobicContact CB-CZ 4.1Å; L105-F114 HydrophobicContact CD1-CE1 4.09Å; L105-F114 HydrophobicContact CD1-CE2 4.24Å; L105-F114 HydrophobicContact CD1-CZ 3.74Å; L105-F114 HydrophobicContact CD2-CD1 4.37Å; L105-F114 HydrophobicContact CD2-CD2 4.2Å; L105-F114 HydrophobicContact CD2-CE1 4.38Å; L105-F114 HydrophobicContact CD2-CE2 4.19Å; L105-F114 HydrophobicContact CD2-CG 4.28Å; L105-F114 HydrophobicContact CD2-CZ 4.29Å; L105-F114 HydrophobicContact CG-CE1 4.22Å; L105-F114 HydrophobicContact CG-CZ 4.27Å; L105-F114 WeakPolarHBondContact O-CD1 3.24Å; K108-F114 PolarHBondContact NZ-O 3.05Å; F111-F114 HydrophobicContact CB-CB 3.86Å; F111-F114 PolarHBondContact O-N 2.99Å; F114-R116 HydrophobicContact CE1-CB 3.92Å; F114-R116 HydrophobicContact CE1-CG 4.07Å; F114-R116 HydrophobicContact CZ-CB 4.05Å
115L96.1Very high91.9Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-135.6164.1169.1-60.792.5000108.7Q95 V96 S97 L363 L366 K367 F381 G385Q95-L115 PolarHBondContact O-N 3.23Å; Q95-L115 VanDerWaalsContact O-O 3.07Å; V96-L115 CarbonylContact C-O 3.53Å; V96-L115 WeakPolarHBondContact CA-O 3.49Å; S97-L115 PolarHBondContact N-O 3.07Å; L115-L363 HydrophobicContact CD1-CD1 3.73Å; L115-L366 HydrophobicContact CD1-CD2 3.8Å; L115-L366 HydrophobicContact CD1-CG 4.42Å; L115-L366 HydrophobicContact CD2-CD2 4.25Å; L115-L366 HydrophobicContact CD2-CG 4.02Å; L115-K367 HydrophobicContact CD2-CG 4.22Å; L115-F381 HydrophobicContact CB-CE1 4.46Å; L115-F381 HydrophobicContact CD2-CD1 4.42Å; L115-F381 HydrophobicContact CD2-CD2 3.73Å; L115-F381 HydrophobicContact CD2-CE2 3.99Å; L115-F381 HydrophobicContact CD2-CG 3.97Å; L115-F381 HydrophobicContact CD2-CZ 4.45Å; L115-G385 VanDerWaalsContact CA-O 3.32Å; L115-G385 WeakPolarHBondContact CA-O 3.16Å
116R93.2Very high91.8Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-149.4140.8177.861.8171.5173.3-146.8-18.1113.9S97 S100 S101 L102 S106 F114 L118 S120 F381 G385 D386 L387S97-R116 CarbonylContact O-C 3.46Å; S97-R116 WeakPolarHBondContact O-CA 3.45Å; S97-R116 VanDerWaalsContact O-CB 3.29Å; S97-R116 WeakPolarHBondContact O-CB 3.2Å; S100-R116 WeakPolarHBondContact O-CD 3.39Å; S100-R116 PolarHBondContact O-NH1 3.49Å; S100-R116 VanDerWaalsContact O-NH1 3.09Å; S101-R116 PolarHBondContact O-NH1 3.34Å; L102-R116 PolarHBondContact O-NH1 2.98Å; S106-R116 PolarHBondContact OG-NH2 3.29Å; F114-R116 HydrophobicContact CE1-CB 3.92Å; F114-R116 HydrophobicContact CE1-CG 4.07Å; F114-R116 HydrophobicContact CZ-CB 4.05Å; R116-L118 HydrophobicContact CB-CD2 3.71Å; R116-L118 HydrophobicContact CG-CD2 4.19Å; R116-L118 WeakPolarHBondContact CG-O 3.47Å; R116-L118 PolarHBondContact O-N 3.16Å; R116-S120 VanDerWaalsContact CZ-CA 3.47Å; R116-S120 VanDerWaalsContact NH2-CA 3.28Å; R116-F381 VanDerWaalsContact O-CE1 3.29Å; R116-F381 WeakPolarHBondContact O-CE1 3.13Å; R116-G385 PolarHBondContact N-O 2.03Å; R116-D386 WeakPolarHBondContact CG-OD1 3.28Å; R116-D386 IonicContact CZ-OD1 3.31Å; R116-D386 IonicContact CZ-OD2 3.35Å; R116-D386 IonicContact NE-OD1 2.87Å; R116-D386 PolarHBondContact NE-OD1 2.83Å; R116-D386 IonicContact NE-OD2 2.67Å; R116-D386 IonicContact NH2-OD1 3.72Å; R116-D386 PolarHBondContact NH2-OD1 2.85Å; R116-D386 IonicContact NH2-OD2 2.95Å; R116-D386 PolarHBondContact NH2-OD2 2.66Å; R116-L387 PolarHBondContact O-N 2.72Å
117T91.4Very high91.8Very high8 Ų827.5 Ų27.55%0.04914%0.144CC..SBendtrans-89.535.3177.353.60000112.4V96 S97 T329 A330 F381 L387V96-T117 HydrophobicContact CG1-CG2 3.86Å; S97-T117 PolarHBondContact O-N 3.04Å; T117-T329 HydrophobicContact CG2-CG2 3.85Å; T117-A330 HydrophobicContact CG2-CB 4.05Å; T117-F381 HydrophobicContact CG2-CE1 4.14Å; T117-F381 HydrophobicContact CG2-CZ 4.07Å; T117-L387 WeakPolarHBondContact O-CD2 3.46Å
118L87.6Confident91.7Very high10 Ų1024.8 Ų24.85%0.05213%0.129CC..SBendtrans-145.2165.3171.471.6154.3000109.1Y98 R116 L387Y98-L118 VanDerWaalsContact C-CD2 3.5Å; R116-L118 HydrophobicContact CB-CD2 3.71Å; R116-L118 HydrophobicContact CG-CD2 4.19Å; R116-L118 WeakPolarHBondContact CG-O 3.47Å; R116-L118 PolarHBondContact O-N 3.16Å; L118-L387 PolarHBondContact O-N 3.36Å
119T88Confident91.7Very high4 Ų422.7 Ų22.73%0.02512%0.121CC..  trans-80.8150.8175.860.90000111.7S124 L387 T389 F391T119-S124 PolarHBondContact OG1-OG 2.86Å; T119-L387 WeakPolarHBondContact CG2-O 3.35Å; T119-T389 HydrophobicContact CG2-CG2 3.77Å; T119-F391 HydrophobicContact CG2-CE1 4.03Å; T119-F391 HydrophobicContact CG2-CZ 3.67Å; T119-F391 WeakPolarHBondContact OG1-CE1 3.35Å
120S89.3Confident91.7Very high5 Ų516.8 Ų16.84%0.0359%0.089CC..  trans-58.1154171.188.70000113.1R116 I122 T123 S124 K227R116-S120 VanDerWaalsContact CZ-CA 3.47Å; R116-S120 VanDerWaalsContact NH2-CA 3.28Å; S120-I122 VanDerWaalsContact C-N 3.28Å; S120-I122 PolarHBondContact O-N 3.41Å; S120-I122 PolarHBondContact OG-N 2.96Å; S120-T123 PolarHBondContact O-N 3.05Å; S120-T123 WeakPolarHBondContact OG-CB 3.48Å; S120-T123 PolarHBondContact OG-N 3.23Å; S120-T123 PolarHBondContact OG-OG1 3.43Å; S120-S124 PolarHBondContact O-N 3.49Å; S120-S124 VanDerWaalsContact O-N 3.1Å; S120-S124 PolarHBondContact O-OG 3.45Å; S120-K227 PolarHBondContact O-NZ 3.41Å; S120-K227 VanDerWaalsContact O-NZ 3.15Å
121D86.6Confident91.5Very high13 Ų1312 Ų127%0.077%0.067CC..Hα-helixtrans-54.2-41.9167.2-83.9-22.3000112.9S101 P103 S124 S125 F149 K227S101-D121 VanDerWaalsContact C-OD2 3.24Å; S101-D121 VanDerWaalsContact CB-CG 3.46Å; S101-D121 WeakPolarHBondContact CB-OD1 3.27Å; S101-D121 WeakPolarHBondContact CB-OD2 3.4Å; S101-D121 WeakPolarHBondContact O-CB 3.44Å; S101-D121 VanDerWaalsContact O-CG 3.28Å; S101-D121 PolarHBondContact O-N 3.36Å; S101-D121 PolarHBondContact OG-OD1 3.44Å; S101-D121 VanDerWaalsContact OG-OD1 3.08Å; S101-D121 PolarHBondContact OG-OD2 3.22Å; P103-D121 HydrophobicContact CG-CB 3.81Å; D121-S124 PolarHBondContact O-N 2.77Å; D121-S125 WeakPolarHBondContact O-CB 3.44Å; D121-S125 PolarHBondContact O-N 3.28Å; D121-S125 PolarHBondContact O-OG 3.38Å; D121-F149 HydrophobicContact CB-CD2 3.59Å; D121-F149 HydrophobicContact CB-CE2 3.46Å; D121-F149 VanDerWaalsContact CB-CE2 3.46Å; D121-K227 VanDerWaalsContact OD1-CD 3.29Å; D121-K227 WeakPolarHBondContact OD1-CD 3.29Å; D121-K227 WeakPolarHBondContact OD1-CE 3.38Å; D121-K227 IonicContact OD1-NZ 3.89Å; D121-K227 PolarHBondContact OD1-NZ 3.33Å
122I85.9Confident91.5Very high63 Ų6312 Ų1232%0.3237%0.067SC..Hα-helixtrans-63.5-45.2176.3-75.7175.7000111.6P103 S120 S124 S125 H126 L156P103-I122 HydrophobicContact CB-CB 4.45Å; P103-I122 HydrophobicContact CB-CD1 3.41Å; P103-I122 VanDerWaalsContact CB-CD1 3.41Å; P103-I122 HydrophobicContact CB-CG1 3.69Å; P103-I122 HydrophobicContact CG-CB 4.45Å; P103-I122 HydrophobicContact CG-CD1 3.86Å; P103-I122 HydrophobicContact CG-CG1 3.6Å; S120-I122 VanDerWaalsContact C-N 3.28Å; S120-I122 PolarHBondContact O-N 3.41Å; S120-I122 PolarHBondContact OG-N 2.96Å; I122-S124 VanDerWaalsContact C-N 3.32Å; I122-S124 PolarHBondContact O-N 3.38Å; I122-S125 PolarHBondContact O-N 2.95Å; I122-H126 WeakPolarHBondContact O-CB 3.18Å; I122-H126 PolarHBondContact O-N 2.88Å; I122-L156 HydrophobicContact CB-CD2 4.5Å; I122-L156 HydrophobicContact CG2-CD2 3.87Å; I122-L156 VanDerWaalsContact O-CD2 3.31Å; I122-L156 WeakPolarHBondContact O-CD2 3.4Å
123T88.4Confident91.3Very high45 Ų4512.3 Ų12.328%0.2767%0.065SC..Hα-helixtrans-63.6-40.7-178.6-53.60000111S120 H126 A127 F391 M422S120-T123 PolarHBondContact O-N 3.05Å; S120-T123 WeakPolarHBondContact OG-CB 3.48Å; S120-T123 PolarHBondContact OG-N 3.23Å; S120-T123 PolarHBondContact OG-OG1 3.43Å; T123-H126 WeakPolarHBondContact O-CB 3.37Å; T123-H126 PolarHBondContact O-N 3.36Å; T123-A127 PolarHBondContact O-N 3.33Å; T123-F391 HydrophobicContact CG2-CE2 4.43Å; T123-F391 HydrophobicContact CG2-CZ 4.25Å; T123-M422 HydrophobicContact CG2-CE 3.83Å
124S88.2Confident91.1Very high3 Ų316.5 Ų16.52%0.0219%0.085CC..Hα-helixtrans-71.4-37.6175.8-53.90000112.7T119 S120 D121 I122 H126 A127 V128 K227T119-S124 PolarHBondContact OG1-OG 2.86Å; S120-S124 PolarHBondContact O-N 3.49Å; S120-S124 VanDerWaalsContact O-N 3.1Å; S120-S124 PolarHBondContact O-OG 3.45Å; D121-S124 PolarHBondContact O-N 2.77Å; I122-S124 VanDerWaalsContact C-N 3.32Å; I122-S124 PolarHBondContact O-N 3.38Å; S124-H126 VanDerWaalsContact C-N 3.28Å; S124-H126 PolarHBondContact O-N 2.64Å; S124-A127 WeakPolarHBondContact O-CB 3.45Å; S124-A127 PolarHBondContact O-N 3.33Å; S124-A127 VanDerWaalsContact O-N 3.13Å; S124-V128 PolarHBondContact O-N 3.42Å; S124-K227 WeakPolarHBondContact OG-CE 3.35Å; S124-K227 PolarHBondContact OG-NZ 3.29Å
125S90.8Very high90.8Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-63.2-37.3173.3-64.20000111.5D121 I122 V128 T129 A153 F201D121-S125 WeakPolarHBondContact O-CB 3.44Å; D121-S125 PolarHBondContact O-N 3.28Å; D121-S125 PolarHBondContact O-OG 3.38Å; I122-S125 PolarHBondContact O-N 2.95Å; S125-V128 WeakPolarHBondContact O-CB 3.48Å; S125-V128 PolarHBondContact O-N 2.99Å; S125-T129 WeakPolarHBondContact O-CG2 3.33Å; S125-T129 PolarHBondContact O-N 3.47Å; S125-T129 VanDerWaalsContact O-N 3.09Å; S125-A153 WeakPolarHBondContact OG-CB 3.19Å; S125-F201 WeakPolarHBondContact OG-CD1 3.35Å; S125-F201 WeakPolarHBondContact OG-CE1 3.36Å
126H90.6Very high90.5Very high19 Ų1926 Ų269%0.08813%0.129CC..Hα-helixtrans-60.1-47.2169.8-175.1-107.9000111.1I122 T123 S124 V128 T129 Q130 L156 N420 M422I122-H126 WeakPolarHBondContact O-CB 3.18Å; I122-H126 PolarHBondContact O-N 2.88Å; T123-H126 WeakPolarHBondContact O-CB 3.37Å; T123-H126 PolarHBondContact O-N 3.36Å; S124-H126 VanDerWaalsContact C-N 3.28Å; S124-H126 PolarHBondContact O-N 2.64Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 PolarHBondContact O-N 3.36Å; H126-T129 PolarHBondContact O-N 3.41Å; H126-T129 PolarHBondContact O-OG1 3.37Å; H126-Q130 PolarHBondContact CE1-NE2 3.2Å; H126-Q130 PolarHBondContact NE2-NE2 2.91Å; H126-Q130 VanDerWaalsContact NE2-NE2 3.14Å; H126-Q130 WeakPolarHBondContact O-CG 3.47Å; H126-Q130 PolarHBondContact O-N 3.28Å; H126-L156 HydrophobicContact CB-CD2 4.19Å; H126-N420 PolarHBondContact CE1-O 3.1Å; H126-N420 VanDerWaalsContact CE1-O 3.26Å; H126-M422 HydrophobicContact CB-CE 4.35Å; H126-M422 VanDerWaalsContact ND1-CE 3.26Å; H126-M422 WeakPolarHBondContact ND1-CE 3.33Å; H126-M422 PolarHBondContact ND1-SD 2.84Å
127A90.9Very high90.5Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-58.9-38.8176.400000112.8T123 S124 T129 Q130 L131 L251 F391 I412 M422T123-A127 PolarHBondContact O-N 3.33Å; S124-A127 WeakPolarHBondContact O-CB 3.45Å; S124-A127 PolarHBondContact O-N 3.33Å; S124-A127 VanDerWaalsContact O-N 3.13Å; A127-T129 PolarHBondContact O-N 3.1Å; A127-Q130 PolarHBondContact O-N 3.3Å; A127-L131 PolarHBondContact O-N 2.99Å; A127-L251 HydrophobicContact CB-CD1 3.7Å; A127-F391 HydrophobicContact CB-CD2 3.81Å; A127-F391 HydrophobicContact CB-CE2 3.85Å; A127-F391 HydrophobicContact CB-CG 4.3Å; A127-F391 HydrophobicContact CB-CZ 4.38Å; A127-I412 HydrophobicContact CB-CD1 4.2Å; A127-I412 WeakPolarHBondContact O-CD1 3.3Å; A127-M422 HydrophobicContact CB-SD 3.83Å
128V93.3Very high90.6Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-57.7-47.31721670000110.9S124 S125 H126 Q130 L131 I132 L199 F201 V225 L251S124-V128 PolarHBondContact O-N 3.42Å; S125-V128 WeakPolarHBondContact O-CB 3.48Å; S125-V128 PolarHBondContact O-N 2.99Å; H126-V128 VanDerWaalsContact C-N 3.29Å; H126-V128 PolarHBondContact O-N 3.36Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.17Å; V128-L131 WeakPolarHBondContact O-CB 3.37Å; V128-L131 PolarHBondContact O-N 2.89Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-I132 WeakPolarHBondContact O-CG1 3.36Å; V128-I132 PolarHBondContact O-N 3.3Å; V128-L199 HydrophobicContact CG1-CD2 4.08Å; V128-L199 HydrophobicContact CG1-CG 4.13Å; V128-F201 HydrophobicContact CB-CE1 4.41Å; V128-F201 HydrophobicContact CG1-CE1 4.29Å; V128-F201 HydrophobicContact CG1-CZ 4.33Å; V128-V225 HydrophobicContact CG1-CB 4.29Å; V128-V225 HydrophobicContact CG1-CG1 3.79Å; V128-L251 HydrophobicContact CB-CD1 4.44Å; V128-L251 HydrophobicContact CG2-CD1 3.68Å; V128-L251 HydrophobicContact CG2-CG 4.36Å
129T93.6Very high91Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-64.2-35.6-179.464.90000112.8S125 H126 A127 L131 I132 I133 A157 Q160 L161 L199S125-T129 WeakPolarHBondContact O-CG2 3.33Å; S125-T129 PolarHBondContact O-N 3.47Å; S125-T129 VanDerWaalsContact O-N 3.09Å; H126-T129 PolarHBondContact O-N 3.41Å; H126-T129 PolarHBondContact O-OG1 3.37Å; A127-T129 PolarHBondContact O-N 3.1Å; T129-L131 VanDerWaalsContact C-N 3.27Å; T129-L131 PolarHBondContact O-N 2.75Å; T129-I132 WeakPolarHBondContact O-CB 3.49Å; T129-I132 PolarHBondContact O-N 2.98Å; T129-I132 VanDerWaalsContact O-N 3.16Å; T129-I133 WeakPolarHBondContact O-CG1 3.48Å; T129-I133 PolarHBondContact O-N 3.08Å; T129-I133 VanDerWaalsContact O-N 3.1Å; T129-A157 HydrophobicContact CG2-CB 3.66Å; T129-Q160 HydrophobicContact CG2-CB 4.46Å; T129-L161 HydrophobicContact CG2-CG 4.35Å; T129-L199 HydrophobicContact CG2-CD2 4.48Å
130Q92.3Very high91.4Very high33 Ų3327.3 Ų27.315%0.15414%0.137CC..Hα-helixtrans-65.6-33.3177.3-64.3-62.8-35.400111.5H126 A127 V128 I133 H134 M422 V424H126-Q130 PolarHBondContact CE1-NE2 3.2Å; H126-Q130 PolarHBondContact NE2-NE2 2.91Å; H126-Q130 VanDerWaalsContact NE2-NE2 3.14Å; H126-Q130 WeakPolarHBondContact O-CG 3.47Å; H126-Q130 PolarHBondContact O-N 3.28Å; A127-Q130 PolarHBondContact O-N 3.3Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.17Å; Q130-I133 PolarHBondContact O-N 3.44Å; Q130-H134 WeakPolarHBondContact O-CB 3.47Å; Q130-H134 PolarHBondContact O-N 3.32Å; Q130-M422 HydrophobicContact CG-CB 4.11Å; Q130-M422 HydrophobicContact CG-CG 4.5Å; Q130-M422 HydrophobicContact CG-SD 4.33Å; Q130-V424 HydrophobicContact CB-CG2 4.33Å
131L92Very high91.7Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-66.4-39173.7-168.761000112A127 V128 T129 H134 F135 V225 F249 L251 I393 I412 V424A127-L131 PolarHBondContact O-N 2.99Å; V128-L131 WeakPolarHBondContact O-CB 3.37Å; V128-L131 PolarHBondContact O-N 2.89Å; V128-L131 VanDerWaalsContact O-N 3.16Å; T129-L131 VanDerWaalsContact C-N 3.27Å; T129-L131 PolarHBondContact O-N 2.75Å; L131-H134 PolarHBondContact O-N 3.06Å; L131-F135 HydrophobicContact CD1-CD2 4Å; L131-F135 HydrophobicContact CD1-CE2 3.42Å; L131-F135 VanDerWaalsContact CD1-CE2 3.42Å; L131-F135 HydrophobicContact CD1-CZ 3.95Å; L131-F135 HydrophobicContact CD2-CE2 4.1Å; L131-F135 HydrophobicContact CG-CD2 3.88Å; L131-F135 HydrophobicContact CG-CE2 3.54Å; L131-F135 VanDerWaalsContact O-CD2 3.27Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 3.37Å; L131-F135 VanDerWaalsContact O-N 3.1Å; L131-V225 HydrophobicContact CD2-CG1 3.91Å; L131-F249 HydrophobicContact CD2-CB 4Å; L131-F249 HydrophobicContact CD2-CD1 4.35Å; L131-F249 HydrophobicContact CD2-CG 4.21Å; L131-L251 HydrophobicContact CD2-CD2 4.37Å; L131-I393 HydrophobicContact CD1-CD1 4.03Å; L131-I393 HydrophobicContact CD2-CG2 4.26Å; L131-I412 HydrophobicContact CB-CD1 4.47Å; L131-V424 HydrophobicContact CD1-CG1 3.97Å
132I94.3Very high92.1Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-61.6-46.4175.6-53.9-55000111.2V128 T129 H134 F135 Q136 W137 V140 L161 V166 V197 L199 V225V128-I132 WeakPolarHBondContact O-CG1 3.36Å; V128-I132 PolarHBondContact O-N 3.3Å; T129-I132 WeakPolarHBondContact O-CB 3.49Å; T129-I132 PolarHBondContact O-N 2.98Å; T129-I132 VanDerWaalsContact O-N 3.16Å; I132-H134 VanDerWaalsContact C-N 3.32Å; I132-H134 PolarHBondContact O-N 2.9Å; I132-F135 PolarHBondContact O-N 3.2Å; I132-Q136 PolarHBondContact O-N 2.71Å; I132-W137 HydrophobicContact CD1-CE3 3.63Å; I132-W137 HydrophobicContact CD1-CZ3 3.74Å; I132-W137 HydrophobicContact CG2-CB 4.1Å; I132-W137 HydrophobicContact CG2-CE3 4.34Å; I132-W137 PolarHBondContact O-N 3.43Å; I132-V140 HydrophobicContact CG2-CG1 3.89Å; I132-L161 HydrophobicContact CB-CD2 3.91Å; I132-L161 HydrophobicContact CG2-CD2 3.85Å; I132-V166 HydrophobicContact CG2-CG1 4.41Å; I132-V197 HydrophobicContact CD1-CG1 3.89Å; I132-L199 HydrophobicContact CD1-CD1 3.79Å; I132-L199 HydrophobicContact CD1-CG 4.04Å; I132-L199 HydrophobicContact CG1-CD1 3.95Å; I132-L199 HydrophobicContact CG1-CD2 4.02Å; I132-L199 HydrophobicContact CG1-CG 4.05Å; I132-V225 HydrophobicContact CD1-CB 4.22Å; I132-V225 HydrophobicContact CD1-CG1 4.44Å; I132-V225 HydrophobicContact CD1-CG2 3.85Å
133I92.5Very high92.6Very high55 Ų5523.5 Ų23.528%0.28212%0.116SC..Hα-helixtrans-63.7-41.4178.9-63.9167.7000110.2T129 Q130 F135 Q136 L161 A164T129-I133 WeakPolarHBondContact O-CG1 3.48Å; T129-I133 PolarHBondContact O-N 3.08Å; T129-I133 VanDerWaalsContact O-N 3.1Å; Q130-I133 PolarHBondContact O-N 3.44Å; I133-F135 PolarHBondContact O-N 3.38Å; I133-Q136 PolarHBondContact O-N 3.38Å; I133-Q136 VanDerWaalsContact O-N 3.1Å; I133-L161 HydrophobicContact CD1-CD2 4.33Å; I133-L161 HydrophobicContact CG1-CD2 3.89Å; I133-A164 HydrophobicContact CD1-CB 3.96Å; I133-A164 HydrophobicContact CG1-CB 3.91Å; I133-A164 HydrophobicContact CG2-CB 4.45Å
134H91.3Very high92.8Very high89 Ų8921.4 Ų21.441%0.41210%0.104SC..Hα-helixtrans-61.4-41.2178.8-173.681.2000112.6Q130 L131 I132 Q136 V424 L426Q130-H134 WeakPolarHBondContact O-CB 3.47Å; Q130-H134 PolarHBondContact O-N 3.32Å; L131-H134 PolarHBondContact O-N 3.06Å; I132-H134 VanDerWaalsContact C-N 3.32Å; I132-H134 PolarHBondContact O-N 2.9Å; H134-Q136 PolarHBondContact O-N 3.05Å; H134-V424 HydrophobicContact CB-CB 4.15Å; H134-V424 HydrophobicContact CB-CG1 4.22Å; H134-V424 HydrophobicContact CB-CG2 4.12Å; H134-L426 WeakPolarHBondContact NE2-CD1 3.34Å
135F90.4Very high92.9Very high29 Ų2922 Ų2213%0.12711%0.106CC..THydrogen-bonded Turntrans-78.61.1176.6-69.8-51.2000114.5L131 I132 I133 W137 F249 L426 L430 V432L131-F135 HydrophobicContact CD1-CD2 4Å; L131-F135 HydrophobicContact CD1-CE2 3.42Å; L131-F135 VanDerWaalsContact CD1-CE2 3.42Å; L131-F135 HydrophobicContact CD1-CZ 3.95Å; L131-F135 HydrophobicContact CD2-CE2 4.1Å; L131-F135 HydrophobicContact CG-CD2 3.88Å; L131-F135 HydrophobicContact CG-CE2 3.54Å; L131-F135 VanDerWaalsContact O-CD2 3.27Å; L131-F135 WeakPolarHBondContact O-CD2 3.41Å; L131-F135 PolarHBondContact O-N 3.37Å; L131-F135 VanDerWaalsContact O-N 3.1Å; I132-F135 PolarHBondContact O-N 3.2Å; I133-F135 PolarHBondContact O-N 3.38Å; F135-W137 HydrophobicContact CB-CD2 3.69Å; F135-W137 HydrophobicContact CB-CE3 3.93Å; F135-W137 HydrophobicContact CB-CG 4.19Å; F135-W137 HydrophobicContact CB-CH2 4.34Å; F135-W137 HydrophobicContact CB-CZ2 4.13Å; F135-W137 HydrophobicContact CB-CZ3 4.24Å; F135-W137 HydrophobicContact CD2-CE3 4.1Å; F135-W137 AromaticContact CD2-CH2 3.5Å; F135-W137 HydrophobicContact CD2-CH2 3.5Å; F135-W137 VanDerWaalsContact CD2-CH2 3.5Å; F135-W137 AromaticContact CD2-CZ2 3.98Å; F135-W137 HydrophobicContact CD2-CZ2 3.98Å; F135-W137 AromaticContact CD2-CZ3 3.55Å; F135-W137 HydrophobicContact CD2-CZ3 3.55Å; F135-W137 HydrophobicContact CE2-CH2 4.04Å; F135-W137 HydrophobicContact CE2-CZ3 4.33Å; F135-W137 HydrophobicContact CG-CE3 4.48Å; F135-W137 HydrophobicContact CG-CH2 4.16Å; F135-W137 HydrophobicContact CG-CZ2 4.18Å; F135-W137 HydrophobicContact CG-CZ3 4.3Å; F135-W137 PolarHBondContact O-N 3.01Å; F135-F249 HydrophobicContact CE2-CD1 4.47Å; F135-F249 HydrophobicContact CE2-CD2 4.47Å; F135-F249 HydrophobicContact CE2-CE1 4.08Å; F135-F249 HydrophobicContact CE2-CE2 4.1Å; F135-F249 AromaticContact CE2-CZ 3.88Å; F135-F249 HydrophobicContact CE2-CZ 3.88Å; F135-F249 AromaticContact CZ-CE1 3.88Å; F135-F249 HydrophobicContact CZ-CE1 3.88Å; F135-F249 HydrophobicContact CZ-CE2 4.41Å; F135-F249 AromaticContact CZ-CZ 3.75Å; F135-F249 HydrophobicContact CZ-CZ 3.75Å; F135-L426 HydrophobicContact CD1-CD1 4.39Å; F135-L426 HydrophobicContact CE1-CD1 3.4Å; F135-L426 VanDerWaalsContact CE1-CD1 3.4Å; F135-L426 HydrophobicContact CZ-CD1 3.67Å; F135-L430 HydrophobicContact CZ-CD2 4.42Å; F135-V432 HydrophobicContact CB-CG2 4.49Å; F135-V432 HydrophobicContact CD1-CG1 4.14Å; F135-V432 HydrophobicContact CD1-CG2 3.76Å; F135-V432 HydrophobicContact CE1-CG1 3.79Å; F135-V432 HydrophobicContact CE1-CG2 4.21Å; F135-V432 HydrophobicContact CG-CG2 4.24Å; F135-V432 HydrophobicContact CZ-CG1 4.01Å
136Q91Very high92.8Very high171 Ų17125.8 Ų25.880%0.79913%0.126SC*.THydrogen-bonded Turntrans56.130.2-179.7-56.5-175.4-27.500113.9I132 I133 H134 S138I132-Q136 PolarHBondContact O-N 2.71Å; I133-Q136 PolarHBondContact O-N 3.38Å; I133-Q136 VanDerWaalsContact O-N 3.1Å; H134-Q136 PolarHBondContact O-N 3.05Å; Q136-S138 PolarHBondContact O-N 3.06Å
137W93.4Very high92.5Very high5 Ų527.2 Ų27.22%0.01914%0.135CC..  trans-74.9122.2173.9-67.1-34.6000110.3I132 F135 V140 V166 V197 V223 V225 F249 V432 P433I132-W137 HydrophobicContact CD1-CE3 3.63Å; I132-W137 HydrophobicContact CD1-CZ3 3.74Å; I132-W137 HydrophobicContact CG2-CB 4.1Å; I132-W137 HydrophobicContact CG2-CE3 4.34Å; I132-W137 PolarHBondContact O-N 3.43Å; F135-W137 HydrophobicContact CB-CD2 3.69Å; F135-W137 HydrophobicContact CB-CE3 3.93Å; F135-W137 HydrophobicContact CB-CG 4.19Å; F135-W137 HydrophobicContact CB-CH2 4.34Å; F135-W137 HydrophobicContact CB-CZ2 4.13Å; F135-W137 HydrophobicContact CB-CZ3 4.24Å; F135-W137 HydrophobicContact CD2-CE3 4.1Å; F135-W137 AromaticContact CD2-CH2 3.5Å; F135-W137 HydrophobicContact CD2-CH2 3.5Å; F135-W137 VanDerWaalsContact CD2-CH2 3.5Å; F135-W137 AromaticContact CD2-CZ2 3.98Å; F135-W137 HydrophobicContact CD2-CZ2 3.98Å; F135-W137 AromaticContact CD2-CZ3 3.55Å; F135-W137 HydrophobicContact CD2-CZ3 3.55Å; F135-W137 HydrophobicContact CE2-CH2 4.04Å; F135-W137 HydrophobicContact CE2-CZ3 4.33Å; F135-W137 HydrophobicContact CG-CE3 4.48Å; F135-W137 HydrophobicContact CG-CH2 4.16Å; F135-W137 HydrophobicContact CG-CZ2 4.18Å; F135-W137 HydrophobicContact CG-CZ3 4.3Å; F135-W137 PolarHBondContact O-N 3.01Å; W137-V140 HydrophobicContact CB-CG1 4.35Å; W137-V166 WeakPolarHBondContact O-CG1 3.36Å; W137-V166 WeakPolarHBondContact O-CG2 3.35Å; W137-V197 HydrophobicContact CD2-CB 4.41Å; W137-V197 HydrophobicContact CD2-CG1 4.16Å; W137-V197 HydrophobicContact CD2-CG2 3.53Å; W137-V197 HydrophobicContact CE3-CB 4.32Å; W137-V197 HydrophobicContact CE3-CG1 3.59Å; W137-V197 HydrophobicContact CE3-CG2 3.8Å; W137-V197 HydrophobicContact CG-CG2 3.92Å; W137-V197 HydrophobicContact CH2-CG2 4.2Å; W137-V197 HydrophobicContact CZ2-CG2 3.94Å; W137-V197 HydrophobicContact CZ3-CG1 3.82Å; W137-V197 HydrophobicContact CZ3-CG2 4.14Å; W137-V223 HydrophobicContact CH2-CG1 3.93Å; W137-V223 HydrophobicContact CZ2-CG1 4.41Å; W137-V225 HydrophobicContact CH2-CG2 4.38Å; W137-V225 HydrophobicContact CZ3-CG2 3.88Å; W137-F249 HydrophobicContact CH2-CD2 4.27Å; W137-F249 HydrophobicContact CH2-CE2 4.05Å; W137-V432 HydrophobicContact CZ2-CB 3.97Å; W137-V432 HydrophobicContact CZ2-CG1 4.43Å; W137-V432 HydrophobicContact CZ2-CG2 4.32Å; W137-P433 PolarHBondContact NE1-O 3.45Å
138S93.7Very high92Very high31 Ų3132.8 Ų32.822%0.21716%0.164CC..  trans-105.1-4.9-17764.30000113.9Q136 C167 S435Q136-S138 PolarHBondContact O-N 3.06Å; S138-C167 PolarHBondContact O-N 3.16Å; S138-S435 PolarHBondContact N-O 2.77Å; S138-S435 VanDerWaalsContact N-O 3.16Å
139W95.2Very high91.5Very high13 Ų1334 Ų345%0.04917%0.17CC..EExtended strand (participates in β ladder)trans-135.2108.4-178.3-170.1-126.6000111.5C167 E169 T194 S195 S435 C437 P454 C457W139-C167 HydrophobicContact CE3-CB 3.7Å; W139-C167 HydrophobicContact CZ3-CB 3.69Å; W139-E169 HydrophobicContact CD2-CB 4.24Å; W139-E169 HydrophobicContact CH2-CB 3.72Å; W139-E169 HydrophobicContact CH2-CG 3.92Å; W139-E169 HydrophobicContact CZ2-CB 3.39Å; W139-E169 HydrophobicContact CZ2-CG 3.31Å; W139-E169 HydrophobicContact CZ3-CB 4.27Å; W139-E169 PolarHBondContact NE1-OE2 3.43Å; W139-T194 PolarHBondContact NE1-OG1 3.04Å; W139-S195 PolarHBondContact O-OG 3.32Å; W139-S435 PolarHBondContact N-O 2.91Å; W139-S435 VanDerWaalsContact N-O 3.09Å; W139-S435 WeakPolarHBondContact O-CB 3.46Å; W139-S435 PolarHBondContact O-OG 3.31Å; W139-C437 HydrophobicContact CB-CB 4.36Å; W139-C437 HydrophobicContact CD2-CB 3.71Å; W139-C437 HydrophobicContact CE3-CB 3.93Å; W139-C437 HydrophobicContact CG-CB 3.94Å; W139-C437 HydrophobicContact CZ2-CB 4.47Å; W139-C437 HydrophobicContact CZ3-CB 4.43Å; W139-P454 HydrophobicContact CH2-CG 3.85Å; W139-P454 HydrophobicContact CZ3-CG 3.54Å; W139-C457 VanDerWaalsContact CH2-SG 3.57Å
140V96.1Very high91.2Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-134.4160.6-170.9-56.10000113.2I132 W137 L161 V166 C167 I168 E169 S195 V197 L199I132-V140 HydrophobicContact CG2-CG1 3.89Å; W137-V140 HydrophobicContact CB-CG1 4.35Å; V140-L161 HydrophobicContact CG2-CD1 4.31Å; V140-V166 HydrophobicContact CG1-CG1 4.07Å; V140-V166 HydrophobicContact CG2-CG1 3.91Å; V140-C167 PolarHBondContact N-O 2.88Å; V140-I168 HydrophobicContact CG2-CG1 4.14Å; V140-I168 CarbonylContact O-C 3.58Å; V140-I168 WeakPolarHBondContact O-CA 3.49Å; V140-E169 PolarHBondContact O-N 3.44Å; V140-S195 VanDerWaalsContact CA-OG 3.24Å; V140-S195 WeakPolarHBondContact CA-OG 3.34Å; V140-V197 HydrophobicContact CB-CG1 4.49Å; V140-V197 HydrophobicContact CG1-CB 4.12Å; V140-V197 HydrophobicContact CG1-CG1 3.92Å; V140-L199 HydrophobicContact CB-CD1 3.73Å; V140-L199 HydrophobicContact CG1-CD1 4.11Å; V140-L199 HydrophobicContact CG2-CD1 3.91Å
141I95.4Very high91Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-109.8142168.8-62.4158.4000108.5E169 L172 C193 V197 V198 L199I141-E169 HydrophobicContact CG1-CB 4.33Å; I141-L172 HydrophobicContact CG2-CD1 3.79Å; I141-L172 HydrophobicContact CG2-CG 4.03Å; I141-C193 HydrophobicContact CD1-CB 3.47Å; I141-C193 VanDerWaalsContact CD1-CB 3.47Å; I141-C193 HydrophobicContact CG1-CB 4.42Å; I141-V197 PolarHBondContact N-O 3.12Å; I141-V198 HydrophobicContact CB-CG1 4.43Å; I141-V198 HydrophobicContact CB-CG2 4.4Å; I141-V198 HydrophobicContact CD1-CG2 4.27Å; I141-V198 HydrophobicContact CG2-CG1 4.35Å; I141-L199 PolarHBondContact O-N 3.39Å
142I96.1Very high90.9Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-107.1118.2168.7-60.1179.1000108.6A144 A157 I168 Y170 L172 L199 F201I142-A144 HydrophobicContact CG2-CB 4.3Å; I142-A157 HydrophobicContact CD1-CB 3.99Å; I142-I168 HydrophobicContact CD1-CD1 3.57Å; I142-I168 HydrophobicContact CD1-CG1 3.99Å; I142-I168 HydrophobicContact CD1-CG2 4.33Å; I142-I168 HydrophobicContact CG1-CD1 4.46Å; I142-I168 HydrophobicContact CG1-CG1 4.39Å; I142-I168 HydrophobicContact CG1-CG2 4.17Å; I142-Y170 PolarHBondContact N-O 2.93Å; I142-L172 PolarHBondContact O-N 3.39Å; I142-L199 HydrophobicContact CG1-CB 4.5Å; I142-F201 HydrophobicContact CG2-CD2 3.8Å; I142-F201 HydrophobicContact CG2-CE2 3.93Å
143L94.8Very high90.7Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-103.8109.5171.9-174.967.3000108.9L172 V174 T186 V198 L199 F201 L202 I210 W224L143-L172 WeakPolarHBondContact CA-O 3.04Å; L143-L172 HydrophobicContact CD1-CB 3.56Å; L143-L172 HydrophobicContact CD1-CD1 4.39Å; L143-V174 HydrophobicContact CD1-CG2 3.52Å; L143-V174 HydrophobicContact CG-CG2 4.12Å; L143-T186 HydrophobicContact CD1-CG2 4.04Å; L143-V198 HydrophobicContact CB-CG1 3.86Å; L143-L199 PolarHBondContact N-O 3Å; L143-F201 PolarHBondContact O-N 3.29Å; L143-L202 HydrophobicContact CD2-CD1 3.64Å; L143-L202 HydrophobicContact CD2-CG 4.44Å; L143-L202 HydrophobicContact CG-CD1 3.9Å; L143-L202 HydrophobicContact CG-CD2 4.46Å; L143-L202 HydrophobicContact CG-CG 4.26Å; L143-I210 HydrophobicContact CD2-CG2 4.25Å; L143-W224 HydrophobicContact CD2-CZ3 3.81Å
144A93.7Very high90.7Very high1 Ų138.8 Ų38.81%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-126.6149.1-172.800000111.8I142 L172 H173 V174 F201I142-A144 HydrophobicContact CG2-CB 4.3Å; A144-L172 PolarHBondContact N-O 2.98Å; A144-H173 CarbonylContact O-C 3.43Å; A144-H173 VanDerWaalsContact O-CA 3.31Å; A144-H173 WeakPolarHBondContact O-CA 3.3Å; A144-V174 PolarHBondContact O-N 2.95Å; A144-F201 HydrophobicContact CB-CB 4.4Å
145Q90.3Very high90.8Very high15 Ų1538.2 Ų38.27%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-74.1146.6173.5-170.6161.4-56.300110.1D147 G150 V174 S176 F201 L202 S203 N206Q145-D147 PolarHBondContact NE2-OD2 2.86Å; Q145-D147 PolarHBondContact O-N 3Å; Q145-G150 WeakPolarHBondContact O-CA 3.34Å; Q145-V174 CarbonylContact C-O 3.57Å; Q145-V174 WeakPolarHBondContact CA-O 3.36Å; Q145-S176 WeakPolarHBondContact CG-OG 3.27Å; Q145-F201 PolarHBondContact N-O 3.04Å; Q145-L202 HydrophobicContact CB-CD2 3.93Å; Q145-S203 VanDerWaalsContact OE1-CB 3.32Å; Q145-S203 VanDerWaalsContact OE1-N 3.11Å; Q145-S203 PolarHBondContact OE1-OG 3.2Å; Q145-N206 PolarHBondContact OE1-ND2 2.71Å
146D88.9Confident90.9Very high80 Ų8038.1 Ų38.143%0.42820%0.199SC..EExtended strand (participates in β ladder)trans-83.961.6176.9-165.820.3000110.5V174 S176D146-V174 WeakPolarHBondContact CB-O 3.48Å; D146-V174 PolarHBondContact N-O 3.27Å; D146-S176 PolarHBondContact O-OG 3.44Å
147D84.4Confident91.1Very high49 Ų4930 Ų3026%0.26216%0.161SC..SBendtrans-145.6176171.862.912.2000110.6Q145 F149 G150 Q151 S176Q145-D147 PolarHBondContact NE2-OD2 2.86Å; Q145-D147 PolarHBondContact O-N 3Å; D147-F149 PolarHBondContact O-N 3.04Å; D147-F149 VanDerWaalsContact O-N 3.16Å; D147-F149 WeakPolarHBondContact OD1-CB 3.46Å; D147-F149 PolarHBondContact OD1-N 3.24Å; D147-G150 PolarHBondContact O-N 3.11Å; D147-G150 PolarHBondContact OD1-N 2.92Å; D147-Q151 WeakPolarHBondContact O-CB 3.31Å; D147-Q151 WeakPolarHBondContact O-CG 3.04Å; D147-Q151 PolarHBondContact O-N 2.87Å; D147-S176 WeakPolarHBondContact CB-OG 3.46Å
148D80.1Confident91.2Very high117 Ų11731.6 Ų31.663%0.62617%0.172SC*.Hα-helixtrans-55.3-34.1179.9-65.1-18.1000112.6Q152D148-Q152 VanDerWaalsContact O-CB 3.26Å; D148-Q152 WeakPolarHBondContact O-CB 3.22Å; D148-Q152 WeakPolarHBondContact O-CG 3.49Å; D148-Q152 PolarHBondContact O-N 3.22Å
149F82.6Confident91.2Very high25 Ų2536.6 Ų36.611%0.1119%0.191CC..Hα-helixtrans-67.8-53.9178.6159.1-106.1000111.3D121 D147 Q151 Q152 A153 F201D121-F149 HydrophobicContact CB-CD2 3.59Å; D121-F149 HydrophobicContact CB-CE2 3.46Å; D121-F149 VanDerWaalsContact CB-CE2 3.46Å; D147-F149 PolarHBondContact O-N 3.04Å; D147-F149 VanDerWaalsContact O-N 3.16Å; D147-F149 WeakPolarHBondContact OD1-CB 3.46Å; D147-F149 PolarHBondContact OD1-N 3.24Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 3.12Å; F149-Q152 PolarHBondContact O-N 3.06Å; F149-A153 WeakPolarHBondContact O-CB 3.28Å; F149-A153 PolarHBondContact O-N 3.47Å; F149-F201 HydrophobicContact CE1-CB 4.43Å; F149-F201 HydrophobicContact CZ-CB 4.4Å
150G87.1Confident91Very high0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-64-38.3-178.700000112.2Q145 D147 S154Q145-G150 WeakPolarHBondContact O-CA 3.34Å; D147-G150 PolarHBondContact O-N 3.11Å; D147-G150 PolarHBondContact OD1-N 2.92Å; G150-S154 VanDerWaalsContact O-CB 3.23Å; G150-S154 WeakPolarHBondContact O-CB 3.47Å; G150-S154 PolarHBondContact O-N 3.02Å
151Q88.7Confident91Very high98 Ų9838.7 Ų38.746%0.45820%0.202SC..Hα-helixtrans-66.5-46.7177-69-176.416.500112.3D147 F149 A153 S154 S155D147-Q151 WeakPolarHBondContact O-CB 3.31Å; D147-Q151 WeakPolarHBondContact O-CG 3.04Å; D147-Q151 PolarHBondContact O-N 2.87Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 3.12Å; Q151-A153 PolarHBondContact O-N 2.95Å; Q151-S154 PolarHBondContact O-N 3.02Å; Q151-S155 WeakPolarHBondContact O-CB 3.28Å; Q151-S155 PolarHBondContact O-N 3.47Å
152Q88.1Confident90.8Very high82 Ų8241.5 Ų41.538%0.38322%0.221SC..Hα-helixtrans-63.2-43.1177-74.5176.218.800111.7D148 F149 S155 L156D148-Q152 VanDerWaalsContact O-CB 3.26Å; D148-Q152 WeakPolarHBondContact O-CB 3.22Å; D148-Q152 WeakPolarHBondContact O-CG 3.49Å; D148-Q152 PolarHBondContact O-N 3.22Å; F149-Q152 PolarHBondContact O-N 3.06Å; Q152-S155 PolarHBondContact O-N 3.24Å; Q152-L156 VanDerWaalsContact O-CB 3.31Å; Q152-L156 WeakPolarHBondContact O-CB 3.41Å; Q152-L156 PolarHBondContact O-N 3.4Å
153A90.3Very high90.7Very high2 Ų246.8 Ų46.82%0.01726%0.256CS..Hα-helixtrans-64.7-42.2177.800000112.1S125 F149 Q151 A157 F201S125-A153 WeakPolarHBondContact OG-CB 3.19Å; F149-A153 WeakPolarHBondContact O-CB 3.28Å; F149-A153 PolarHBondContact O-N 3.47Å; Q151-A153 PolarHBondContact O-N 2.95Å; A153-A157 WeakPolarHBondContact O-CB 3.24Å; A153-A157 PolarHBondContact O-N 3.4Å; A153-F201 HydrophobicContact CB-CB 3.81Å; A153-F201 HydrophobicContact CB-CD1 3.73Å; A153-F201 HydrophobicContact CB-CD2 3.87Å; A153-F201 HydrophobicContact CB-CE1 4.25Å; A153-F201 HydrophobicContact CB-CE2 4.37Å; A153-F201 HydrophobicContact CB-CG 3.52Å
154S93.8Very high90.5Very high7 Ų749.2 Ų49.25%0.04928%0.276CS..Hα-helixtrans-65-42.6176.7-175.90000112.4G150 Q151 A157 T158 H171G150-S154 VanDerWaalsContact O-CB 3.23Å; G150-S154 WeakPolarHBondContact O-CB 3.47Å; G150-S154 PolarHBondContact O-N 3.02Å; Q151-S154 PolarHBondContact O-N 3.02Å; S154-A157 PolarHBondContact O-N 2.94Å; S154-T158 PolarHBondContact O-N 2.93Å; S154-T158 PolarHBondContact O-OG1 3.34Å; S154-H171 PolarHBondContact OG-CE1 3.3Å; S154-H171 PolarHBondContact OG-ND1 2.96Å
155S93.7Very high90.4Very high78 Ų7850.6 Ų50.655%0.54529%0.29SS..Hα-helixtrans-63.3-47.5176.4-176.80000111.5Q151 Q152 A157 T158 Q159Q151-S155 WeakPolarHBondContact O-CB 3.28Å; Q151-S155 PolarHBondContact O-N 3.47Å; Q152-S155 PolarHBondContact O-N 3.24Å; S155-A157 PolarHBondContact O-N 3.34Å; S155-T158 PolarHBondContact O-N 3.34Å; S155-Q159 WeakPolarHBondContact O-CB 3.24Å; S155-Q159 PolarHBondContact O-N 3.48Å
156L92.6Very high90.6Very high26 Ų2650.2 Ų50.214%0.13629%0.289CS..Hα-helixtrans-57.3-48.2174.4178.475.6000111.3I122 H126 Q152 T158 Q159 Q160I122-L156 HydrophobicContact CB-CD2 4.5Å; I122-L156 HydrophobicContact CG2-CD2 3.87Å; I122-L156 VanDerWaalsContact O-CD2 3.31Å; I122-L156 WeakPolarHBondContact O-CD2 3.4Å; H126-L156 HydrophobicContact CB-CD2 4.19Å; Q152-L156 VanDerWaalsContact O-CB 3.31Å; Q152-L156 WeakPolarHBondContact O-CB 3.41Å; Q152-L156 PolarHBondContact O-N 3.4Å; L156-T158 VanDerWaalsContact C-N 3.3Å; L156-T158 PolarHBondContact O-N 3Å; L156-Q159 PolarHBondContact O-N 3.44Å; L156-Q160 HydrophobicContact CD1-CG 4.41Å; L156-Q160 HydrophobicContact CG-CG 4.5Å; L156-Q160 VanDerWaalsContact O-CG 3.31Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 2.96Å
157A94.5Very high90.9Very high0 Ų046.7 Ų46.70%027%0.27CS..Hα-helixtrans-59.2-44.3179.800000111.5T129 I142 A153 S154 S155 Q159 Q160 L161 L199 F201T129-A157 HydrophobicContact CG2-CB 3.66Å; I142-A157 HydrophobicContact CD1-CB 3.99Å; A153-A157 WeakPolarHBondContact O-CB 3.24Å; A153-A157 PolarHBondContact O-N 3.4Å; S154-A157 PolarHBondContact O-N 2.94Å; S155-A157 PolarHBondContact O-N 3.34Å; A157-Q159 PolarHBondContact O-N 3.38Å; A157-Q160 PolarHBondContact O-N 3.14Å; A157-L161 HydrophobicContact CB-CD1 4.41Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 WeakPolarHBondContact O-CG 3.33Å; A157-L161 PolarHBondContact O-N 3.26Å; A157-L199 HydrophobicContact CB-CD2 4.26Å; A157-F201 HydrophobicContact CB-CE2 3.77Å; A157-F201 HydrophobicContact CB-CZ 3.94Å
158T94.9Very high91.4Very high40 Ų4045.7 Ų45.725%0.24527%0.265CS..Hα-helixtrans-60.4-45.3176.6-53.50000111.8S154 S155 L156 Q160 L161 S162 I168 H171S154-T158 PolarHBondContact O-N 2.93Å; S154-T158 PolarHBondContact O-OG1 3.34Å; S155-T158 PolarHBondContact O-N 3.34Å; L156-T158 VanDerWaalsContact C-N 3.3Å; L156-T158 PolarHBondContact O-N 3Å; T158-Q160 VanDerWaalsContact C-N 3.3Å; T158-Q160 PolarHBondContact O-N 3Å; T158-L161 PolarHBondContact O-N 2.93Å; T158-S162 WeakPolarHBondContact O-CB 3.44Å; T158-S162 PolarHBondContact O-N 3.47Å; T158-S162 PolarHBondContact O-OG 2.98Å; T158-S162 VanDerWaalsContact O-OG 3.04Å; T158-I168 HydrophobicContact CG2-CD1 3.87Å; T158-I168 WeakPolarHBondContact OG1-CD1 3.48Å; T158-H171 PolarHBondContact OG1-CE1 3.44Å
159Q93.9Very high92.1Very high135 Ų13541.7 Ų41.763%0.63124%0.242SC*.Hα-helixtrans-62.6-34.8179.8-171.6-177.213.800112.7S155 L156 A157 P163S155-Q159 WeakPolarHBondContact O-CB 3.24Å; S155-Q159 PolarHBondContact O-N 3.48Å; L156-Q159 PolarHBondContact O-N 3.44Å; A157-Q159 PolarHBondContact O-N 3.38Å; Q159-P163 WeakPolarHBondContact O-CD 3.47Å; Q159-P163 VanDerWaalsContact O-CG 3.32Å; Q159-P163 WeakPolarHBondContact O-CG 3.49Å
160Q92Very high92.5Very high57 Ų5746.7 Ų46.727%0.26626%0.262SS..Hα-helixtrans-83.2-37.8-180-64.1-61.7-38.900112.7T129 L156 A157 T158T129-Q160 HydrophobicContact CG2-CB 4.46Å; L156-Q160 HydrophobicContact CD1-CG 4.41Å; L156-Q160 HydrophobicContact CG-CG 4.5Å; L156-Q160 VanDerWaalsContact O-CG 3.31Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 2.96Å; A157-Q160 PolarHBondContact O-N 3.14Å; T158-Q160 VanDerWaalsContact C-N 3.3Å; T158-Q160 PolarHBondContact O-N 3Å
161L94.8Very high92.9Very high0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-81.1-37-173.2-70.2178.5000113T129 I132 I133 V140 A157 T158 A164 G165 V166 L199T129-L161 HydrophobicContact CG2-CG 4.35Å; I132-L161 HydrophobicContact CB-CD2 3.91Å; I132-L161 HydrophobicContact CG2-CD2 3.85Å; I133-L161 HydrophobicContact CD1-CD2 4.33Å; I133-L161 HydrophobicContact CG1-CD2 3.89Å; V140-L161 HydrophobicContact CG2-CD1 4.31Å; A157-L161 HydrophobicContact CB-CD1 4.41Å; A157-L161 WeakPolarHBondContact O-CB 3.38Å; A157-L161 WeakPolarHBondContact O-CG 3.33Å; A157-L161 PolarHBondContact O-N 3.26Å; T158-L161 PolarHBondContact O-N 2.93Å; L161-A164 CarbonylContact O-C 3.6Å; L161-A164 WeakPolarHBondContact O-CA 3.41Å; L161-A164 WeakPolarHBondContact O-CB 3.19Å; L161-A164 PolarHBondContact O-N 3.31Å; L161-A164 VanDerWaalsContact O-N 3.09Å; L161-G165 PolarHBondContact O-N 3.38Å; L161-V166 HydrophobicContact CB-CB 3.96Å; L161-V166 HydrophobicContact CB-CG1 4.26Å; L161-V166 HydrophobicContact CD1-CG1 4.49Å; L161-V166 HydrophobicContact CD2-CB 4.39Å; L161-V166 HydrophobicContact CD2-CG1 4.42Å; L161-V166 HydrophobicContact CD2-CG2 4.28Å; L161-V166 WeakPolarHBondContact O-CB 3.45Å; L161-V166 PolarHBondContact O-N 3.49Å; L161-V166 VanDerWaalsContact O-N 3.11Å; L161-L199 HydrophobicContact CD1-CD2 3.88Å
162S92.6Very high93.1Very high59 Ų5946.2 Ų46.241%0.41326%0.259SS..G310 helixtrans-62.2-45.4-177.1-66.80000113.5T158 A164 G165T158-S162 WeakPolarHBondContact O-CB 3.44Å; T158-S162 PolarHBondContact O-N 3.47Å; T158-S162 PolarHBondContact O-OG 2.98Å; T158-S162 VanDerWaalsContact O-OG 3.04Å; S162-A164 PolarHBondContact O-N 2.91Å; S162-G165 PolarHBondContact O-N 3.08Å; S162-G165 VanDerWaalsContact O-N 3.09Å
163P92.4Very high93.2Very high112 Ų11246.5 Ų46.573%0.72726%0.261SS*.G310 helixtrans-65.3-22.6174.8-21.334.4000113.7Q159 G165Q159-P163 WeakPolarHBondContact O-CD 3.47Å; Q159-P163 VanDerWaalsContact O-CG 3.32Å; Q159-P163 WeakPolarHBondContact O-CG 3.49Å; P163-G165 PolarHBondContact O-N 3.42Å
164A91.6Very high93.2Very high50 Ų5046.5 Ų46.541%0.41326%0.26SS..G310 helixtrans-82.94.4175.300000113.2I133 L161 S162 V166I133-A164 HydrophobicContact CD1-CB 3.96Å; I133-A164 HydrophobicContact CG1-CB 3.91Å; I133-A164 HydrophobicContact CG2-CB 4.45Å; L161-A164 CarbonylContact O-C 3.6Å; L161-A164 WeakPolarHBondContact O-CA 3.41Å; L161-A164 WeakPolarHBondContact O-CB 3.19Å; L161-A164 PolarHBondContact O-N 3.31Å; L161-A164 VanDerWaalsContact O-N 3.09Å; S162-A164 PolarHBondContact O-N 2.91Å; A164-V166 HydrophobicContact CB-CG2 4.42Å
165G91.2Very high92.8Very high31 Ų3146.9 Ų46.932%0.3226%0.262SS..THydrogen-bonded Turntrans77.920.217900000114.2L161 S162 P163 C456L161-G165 PolarHBondContact O-N 3.38Å; S162-G165 PolarHBondContact O-N 3.08Å; S162-G165 VanDerWaalsContact O-N 3.09Å; P163-G165 PolarHBondContact O-N 3.42Å; G165-C456 PolarHBondContact O-SG 3.26Å; G165-C456 VanDerWaalsContact O-SG 3.4Å
166V95.4Very high92Very high6 Ų645 Ų454%0.03625%0.25CC..PPolyproline II helixtrans-96.8128.1178.1-178.20000109.6I132 W137 V140 L161 A164I132-V166 HydrophobicContact CG2-CG1 4.41Å; W137-V166 WeakPolarHBondContact O-CG1 3.36Å; W137-V166 WeakPolarHBondContact O-CG2 3.35Å; V140-V166 HydrophobicContact CG1-CG1 4.07Å; V140-V166 HydrophobicContact CG2-CG1 3.91Å; L161-V166 HydrophobicContact CB-CB 3.96Å; L161-V166 HydrophobicContact CB-CG1 4.26Å; L161-V166 HydrophobicContact CD1-CG1 4.49Å; L161-V166 HydrophobicContact CD2-CB 4.39Å; L161-V166 HydrophobicContact CD2-CG1 4.42Å; L161-V166 HydrophobicContact CD2-CG2 4.28Å; L161-V166 WeakPolarHBondContact O-CB 3.45Å; L161-V166 PolarHBondContact O-N 3.49Å; L161-V166 VanDerWaalsContact O-N 3.11Å; A164-V166 HydrophobicContact CB-CG2 4.42Å
167C95.1Very high91.3Very high6 Ų651.7 Ų51.74%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-100.9145.4176.7-63.60000111.6S138 W139 V140 P454 H455 C456S138-C167 PolarHBondContact O-N 3.16Å; W139-C167 HydrophobicContact CE3-CB 3.7Å; W139-C167 HydrophobicContact CZ3-CB 3.69Å; V140-C167 PolarHBondContact N-O 2.88Å; C167-P454 HydrophobicContact CB-CB 4.11Å; C167-P454 HydrophobicContact CB-CG 4.11Å; C167-H455 PolarHBondContact SG-CE1 2.87Å; C167-H455 PolarHBondContact SG-ND1 2.79Å; C167-C456 HydrophobicContact CB-CB 3.69Å; C167-C456 WeakPolarHBondContact CB-SG 3.43Å; C167-C456 PolarHBondContact N-SG 3.07Å; C167-C456 WeakPolarHBondContact SG-CB 3.36Å; C167-C456 PolarHBondContact SG-N 2.83Å; C167-C456 CovalentContact SG-SG 2.03Å; C167-C456 PolarHBondContact SG-SG 2.79Å
168I94.9Very high90.4Very high29 Ų2959.2 Ų59.215%0.14932%0.315CS..EExtended strand (participates in β ladder)trans-102.3124178.1-59.6155.1000108.1V140 I142 T158 Y170V140-I168 HydrophobicContact CG2-CG1 4.14Å; V140-I168 CarbonylContact O-C 3.58Å; V140-I168 WeakPolarHBondContact O-CA 3.49Å; I142-I168 HydrophobicContact CD1-CD1 3.57Å; I142-I168 HydrophobicContact CD1-CG1 3.99Å; I142-I168 HydrophobicContact CD1-CG2 4.33Å; I142-I168 HydrophobicContact CG1-CD1 4.46Å; I142-I168 HydrophobicContact CG1-CG1 4.39Å; I142-I168 HydrophobicContact CG1-CG2 4.17Å; T158-I168 HydrophobicContact CG2-CD1 3.87Å; T158-I168 WeakPolarHBondContact OG1-CD1 3.48Å; I168-Y170 WeakPolarHBondContact CG2-O 3.18Å
169E93.4Very high89.7Confident32 Ų3259.5 Ų59.515%0.1532%0.318CS..EExtended strand (participates in β ladder)trans-71.9-52.5176.9-174174.8-164.900110.7W139 V140 I141 T194 S195W139-E169 HydrophobicContact CD2-CB 4.24Å; W139-E169 HydrophobicContact CH2-CB 3.72Å; W139-E169 HydrophobicContact CH2-CG 3.92Å; W139-E169 HydrophobicContact CZ2-CB 3.39Å; W139-E169 HydrophobicContact CZ2-CG 3.31Å; W139-E169 HydrophobicContact CZ3-CB 4.27Å; W139-E169 PolarHBondContact NE1-OE2 3.43Å; V140-E169 PolarHBondContact O-N 3.44Å; I141-E169 HydrophobicContact CG1-CB 4.33Å; E169-T194 VanDerWaalsContact CD-OG1 3.24Å; E169-T194 PolarHBondContact OE1-N 3.36Å; E169-T194 PolarHBondContact OE1-OG1 3.47Å; E169-T194 PolarHBondContact OE2-N 3.2Å; E169-T194 PolarHBondContact OE2-OG1 2.88Å; E169-S195 WeakPolarHBondContact OE2-CB 3.28Å; E169-S195 PolarHBondContact OE2-N 3.31Å
170Y92.7Very high89Confident131 Ų13159.9 Ų59.951%0.51432%0.324SS..EExtended strand (participates in β ladder)trans-145.1148.5177.9-70.8-68.7000112.2I142 I168I142-Y170 PolarHBondContact N-O 2.93Å; I168-Y170 WeakPolarHBondContact CG2-O 3.18Å
171H93.9Very high88.6Confident79 Ų7959.6 Ų59.637%0.36634%0.336SS..EExtended strand (participates in β ladder)trans-96.8109.2159.8-66.1-106.3000107.9S154 T158S154-H171 PolarHBondContact OG-CE1 3.3Å; S154-H171 PolarHBondContact OG-ND1 2.96Å; T158-H171 PolarHBondContact OG1-CE1 3.44Å
172L93.1Very high88.1Confident8 Ų864.8 Ų64.84%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-98.7117.3177.9-61.3-177.9000108.7I141 I142 L143 A144 T186 K189 M190I141-L172 HydrophobicContact CG2-CD1 3.79Å; I141-L172 HydrophobicContact CG2-CG 4.03Å; I142-L172 PolarHBondContact O-N 3.39Å; L143-L172 WeakPolarHBondContact CA-O 3.04Å; L143-L172 HydrophobicContact CD1-CB 3.56Å; L143-L172 HydrophobicContact CD1-CD1 4.39Å; A144-L172 PolarHBondContact N-O 2.98Å; L172-T186 HydrophobicContact CB-CG2 4.31Å; L172-T186 HydrophobicContact CD1-CG2 4.47Å; L172-K189 HydrophobicContact CD2-CB 4.19Å; L172-K189 HydrophobicContact CD2-CD 4.38Å; L172-M190 HydrophobicContact CD1-CG 3.36Å; L172-M190 HydrophobicContact CD1-SD 4.2Å
173H90.9Very high87.8Confident89 Ų8962.5 Ų62.541%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-101.4120.9-178-64.7-76.9000110.8A144A144-H173 CarbonylContact O-C 3.43Å; A144-H173 VanDerWaalsContact O-CA 3.31Å; A144-H173 WeakPolarHBondContact O-CA 3.3Å
174V89.9Confident87.5Confident2 Ų262.8 Ų62.81%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-98124.2177.9-176.80000108.9L143 A144 Q145 D146 S176 T186 L202 N206 I210L143-V174 HydrophobicContact CD1-CG2 3.52Å; L143-V174 HydrophobicContact CG-CG2 4.12Å; A144-V174 PolarHBondContact O-N 2.95Å; Q145-V174 CarbonylContact C-O 3.57Å; Q145-V174 WeakPolarHBondContact CA-O 3.36Å; D146-V174 WeakPolarHBondContact CB-O 3.48Å; D146-V174 PolarHBondContact N-O 3.27Å; V174-S176 PolarHBondContact O-N 3.06Å; V174-T186 HydrophobicContact CG2-CG2 4.44Å; V174-L202 HydrophobicContact CB-CD2 3.73Å; V174-L202 HydrophobicContact CG1-CD2 4.43Å; V174-L202 HydrophobicContact CG2-CD1 4.13Å; V174-L202 HydrophobicContact CG2-CD2 3.73Å; V174-N206 HydrophobicContact CG1-CB 4.29Å; V174-I210 HydrophobicContact CG1-CD1 4.26Å; V174-I210 HydrophobicContact CG1-CG1 4.35Å; V174-I210 HydrophobicContact CG2-CD1 3.86Å; V174-I210 HydrophobicContact CG2-CG1 4.14Å
175P85.6Confident87.3Confident14 Ų1464.8 Ų64.89%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-61138.1-177.327-36.1000111.6H177 K182P175-H177 PolarHBondContact O-N 2.98Å; P175-K182 HydrophobicContact CB-CD 4.05Å; P175-K182 HydrophobicContact CG-CB 3.86Å; P175-K182 HydrophobicContact CG-CD 3.9Å
176S77.6Confident87.3Confident40 Ų4063.9 Ų63.928%0.2832%0.322SS..SBendtrans-64.5-28.3178.3-65.50000113.2Q145 D146 D147 V174Q145-S176 WeakPolarHBondContact CG-OG 3.27Å; D146-S176 PolarHBondContact O-OG 3.44Å; D147-S176 WeakPolarHBondContact CB-OG 3.46Å; V174-S176 PolarHBondContact O-N 3.06Å
177H77.3Confident87Confident166 Ų16664 Ų6477%0.76932%0.323SS*.SBendtrans-99.3143.9172.2-59.8-67.3000111P175 S179P175-H177 PolarHBondContact O-N 2.98Å; H177-S179 PolarHBondContact O-N 2.7Å; H177-S179 VanDerWaalsContact O-N 3.14Å
178Q75.3Confident86.7Confident157 Ų15768 Ų6873%0.73434%0.341SS*.  trans-61.2117.7-177.4-62.3-174.4-6.800111L209Q178-L209 HydrophobicContact CG-CD1 3.88Å
179S80.1Confident86.4Confident46 Ų4671.3 Ų71.332%0.32236%0.355SS..  trans-140.8102.3174.1179.60000108.7H177 G181 K182 I183H177-S179 PolarHBondContact O-N 2.7Å; H177-S179 VanDerWaalsContact O-N 3.14Å; S179-G181 VanDerWaalsContact C-N 3.3Å; S179-G181 PolarHBondContact O-N 3.36Å; S179-K182 PolarHBondContact O-N 3.48Å; S179-I183 WeakPolarHBondContact O-CG1 3.33Å; S179-I183 PolarHBondContact O-N 3.4Å; S179-I183 VanDerWaalsContact O-N 3.08Å
180L79.3Confident86.1Confident144 Ų14469.9 Ų69.975%0.75435%0.348SS*.Hα-helixtrans-58-41.5-176.2-69.5171000112.1K182 I183 E184L180-K182 PolarHBondContact O-N 2.88Å; L180-I183 WeakPolarHBondContact O-CB 3.1Å; L180-I183 PolarHBondContact O-N 3.2Å; L180-E184 PolarHBondContact O-N 3.04Å
181G83.8Confident85.8Confident50 Ų5068.2 Ų68.252%0.51535%0.345SS..Hα-helixtrans-62.8-40.1178.800000113.6S179 E184 E185S179-G181 VanDerWaalsContact C-N 3.3Å; S179-G181 PolarHBondContact O-N 3.36Å; G181-E184 PolarHBondContact O-N 3.17Å; G181-E185 PolarHBondContact O-N 2.75Å
182K84.9Confident85.5Confident109 Ų10972.6 Ų72.647%0.47436%0.363SS..Hα-helixtrans-70.2-34.3175.9-73.4-172.5173.3-171.70112.6P175 S179 L180 T186P175-K182 HydrophobicContact CB-CD 4.05Å; P175-K182 HydrophobicContact CG-CB 3.86Å; P175-K182 HydrophobicContact CG-CD 3.9Å; S179-K182 PolarHBondContact O-N 3.48Å; L180-K182 PolarHBondContact O-N 2.88Å; K182-T186 PolarHBondContact O-N 3.34Å; K182-T186 PolarHBondContact O-OG1 3.19Å
183I84.8Confident85.3Confident12 Ų1273.1 Ų73.16%0.06237%0.367CS..Hα-helixtrans-64.3-45.9174-70.5160.4000109.6S179 L180 E185 T186 V187 L209 I210S179-I183 WeakPolarHBondContact O-CG1 3.33Å; S179-I183 PolarHBondContact O-N 3.4Å; S179-I183 VanDerWaalsContact O-N 3.08Å; L180-I183 WeakPolarHBondContact O-CB 3.1Å; L180-I183 PolarHBondContact O-N 3.2Å; I183-E185 PolarHBondContact O-N 3.04Å; I183-T186 WeakPolarHBondContact O-CB 3.45Å; I183-T186 PolarHBondContact O-N 3.43Å; I183-V187 WeakPolarHBondContact O-CG2 3.42Å; I183-V187 PolarHBondContact O-N 3.31Å; I183-L209 HydrophobicContact CD1-CB 3.94Å; I183-L209 HydrophobicContact CD1-CD1 3.98Å; I183-L209 HydrophobicContact CD1-CG 4.46Å; I183-I210 HydrophobicContact CG2-CD1 4.27Å
184E86.5Confident85.2Confident118 Ų11873.5 Ų73.555%0.55138%0.375SS*.Hα-helixtrans-60.7-44.6176.7-170.4179.7175.800111.9L180 G181 T186 V187 Q188L180-E184 PolarHBondContact O-N 3.04Å; G181-E184 PolarHBondContact O-N 3.17Å; E184-T186 VanDerWaalsContact C-N 3.28Å; E184-T186 PolarHBondContact O-N 3.47Å; E184-V187 PolarHBondContact O-N 3.01Å; E184-Q188 WeakPolarHBondContact O-CG 3.47Å; E184-Q188 PolarHBondContact O-N 3.1Å; E184-Q188 PolarHBondContact OE1-NE2 2.83Å
185E88.8Confident85.3Confident92 Ų9273.5 Ų73.543%0.4338%0.375SS..Hα-helixtrans-58.6-41174.7-168.3-166152.900112G181 I183 Q188 K189G181-E185 PolarHBondContact O-N 2.75Å; I183-E185 PolarHBondContact O-N 3.04Å; E185-Q188 PolarHBondContact O-N 3.48Å; E185-K189 WeakPolarHBondContact O-CG 3.5Å; E185-K189 PolarHBondContact O-N 3.47Å; E185-K189 WeakPolarHBondContact OE1-CE 3.49Å; E185-K189 IonicContact OE1-NZ 3.93Å; E185-K189 PolarHBondContact OE1-NZ 3.02Å
186T89.9Confident85.6Confident11 Ų1177.2 Ų77.27%0.06739%0.39CS..Hα-helixtrans-63.7-47.1176.6-56.50000110.7L143 L172 V174 K182 I183 E184 Q188 K189 M190 I210L143-T186 HydrophobicContact CD1-CG2 4.04Å; L172-T186 HydrophobicContact CB-CG2 4.31Å; L172-T186 HydrophobicContact CD1-CG2 4.47Å; V174-T186 HydrophobicContact CG2-CG2 4.44Å; K182-T186 PolarHBondContact O-N 3.34Å; K182-T186 PolarHBondContact O-OG1 3.19Å; I183-T186 WeakPolarHBondContact O-CB 3.45Å; I183-T186 PolarHBondContact O-N 3.43Å; E184-T186 VanDerWaalsContact C-N 3.28Å; E184-T186 PolarHBondContact O-N 3.47Å; T186-Q188 PolarHBondContact O-N 2.82Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.23Å; T186-M190 VanDerWaalsContact O-CG 3.32Å; T186-M190 WeakPolarHBondContact O-CG 3.48Å; T186-M190 PolarHBondContact O-N 2.95Å; T186-I210 HydrophobicContact CG2-CD1 4.18Å
187V88.6Confident86.4Confident8 Ų875.3 Ų75.35%0.04838%0.377CS..Hα-helixtrans-60-44.8176.8170.10000111.2I183 E184 K189 M190 Q191 L214 V217I183-V187 WeakPolarHBondContact O-CG2 3.42Å; I183-V187 PolarHBondContact O-N 3.31Å; E184-V187 PolarHBondContact O-N 3.01Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.48Å; V187-M190 WeakPolarHBondContact O-CB 3.31Å; V187-M190 PolarHBondContact O-N 3.06Å; V187-M190 VanDerWaalsContact O-N 3.11Å; V187-Q191 WeakPolarHBondContact O-CG 3.42Å; V187-Q191 PolarHBondContact O-N 3.33Å; V187-L214 HydrophobicContact CB-CD2 4.43Å; V187-L214 HydrophobicContact CG1-CD2 3.82Å; V187-L214 HydrophobicContact CG2-CD2 4.1Å; V187-L214 HydrophobicContact CG2-CG 4.35Å; V187-V217 HydrophobicContact CG1-CG1 4.43Å; V187-V217 HydrophobicContact CG1-CG2 4.28Å
188Q88.8Confident87.3Confident90 Ų9067.4 Ų67.442%0.42134%0.34SS..Hα-helixtrans-61.9-37.2176.8-72.2177.5700112.5E184 E185 T186E184-Q188 WeakPolarHBondContact O-CG 3.47Å; E184-Q188 PolarHBondContact O-N 3.1Å; E184-Q188 PolarHBondContact OE1-NE2 2.83Å; E185-Q188 PolarHBondContact O-N 3.48Å; T186-Q188 PolarHBondContact O-N 2.82Å
189K88.8Confident88.2Confident100 Ų10060 Ų6044%0.43531%0.306SS..Hα-helixtrans-65.3-43.7172.2-76.9169.8172167.20111.1L172 E185 T186 V187 Q191 K192 C193L172-K189 HydrophobicContact CD2-CB 4.19Å; L172-K189 HydrophobicContact CD2-CD 4.38Å; E185-K189 WeakPolarHBondContact O-CG 3.5Å; E185-K189 PolarHBondContact O-N 3.47Å; E185-K189 WeakPolarHBondContact OE1-CE 3.49Å; E185-K189 IonicContact OE1-NZ 3.93Å; E185-K189 PolarHBondContact OE1-NZ 3.02Å; T186-K189 WeakPolarHBondContact O-CB 3.4Å; T186-K189 PolarHBondContact O-N 3.23Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.48Å; K189-Q191 VanDerWaalsContact C-N 3.28Å; K189-Q191 PolarHBondContact O-N 2.82Å; K189-K192 PolarHBondContact O-N 3.13Å; K189-C193 PolarHBondContact O-N 2.89Å; K189-C193 PolarHBondContact O-SG 3Å
190M87.9Confident88.9Confident1 Ų158 Ų581%0.00529%0.291CS..Hα-helixtrans-59.7-36178.4-70.3-168.972.200113.1L172 T186 V187 K192 C193 V198 W224L172-M190 HydrophobicContact CD1-CG 3.36Å; L172-M190 HydrophobicContact CD1-SD 4.2Å; T186-M190 VanDerWaalsContact O-CG 3.32Å; T186-M190 WeakPolarHBondContact O-CG 3.48Å; T186-M190 PolarHBondContact O-N 2.95Å; V187-M190 WeakPolarHBondContact O-CB 3.31Å; V187-M190 PolarHBondContact O-N 3.06Å; V187-M190 VanDerWaalsContact O-N 3.11Å; M190-K192 PolarHBondContact O-N 3.23Å; M190-C193 PolarHBondContact O-N 3.32Å; M190-V198 HydrophobicContact CE-CG1 4.36Å; M190-V198 HydrophobicContact CE-CG2 4.13Å; M190-W224 HydrophobicContact CE-CH2 3.11Å; M190-W224 HydrophobicContact CE-CZ2 3.83Å; M190-W224 HydrophobicContact CE-CZ3 3.68Å; M190-W224 HydrophobicContact SD-CH2 3.96Å
191Q86.1Confident89.5Confident96 Ų9651.1 Ų51.145%0.44926%0.256SS..Hα-helixtrans-64.2-24175.9-68.3-178.9-70.600114V187 K189 V217V187-Q191 WeakPolarHBondContact O-CG 3.42Å; V187-Q191 PolarHBondContact O-N 3.33Å; K189-Q191 VanDerWaalsContact C-N 3.28Å; K189-Q191 PolarHBondContact O-N 2.82Å; Q191-V217 VanDerWaalsContact CD-CG1 3.42Å; Q191-V217 HydrophobicContact CG-CG1 3.57Å
192K87.5Confident89.7Confident172 Ų17249.7 Ų49.775%0.74824%0.236SC*.THydrogen-bonded Turntrans-93.7-7.3-179.3-64.3177.3-177.1175.80112.9K189 M190K189-K192 PolarHBondContact O-N 3.13Å; M190-K192 PolarHBondContact O-N 3.23Å
193C89.1Confident89.6Confident18 Ų1846.2 Ų46.212%0.12223%0.226CC..  trans-75.7147.1-178.3-610000111I141 K189 M190I141-C193 HydrophobicContact CD1-CB 3.47Å; I141-C193 VanDerWaalsContact CD1-CB 3.47Å; I141-C193 HydrophobicContact CG1-CB 4.42Å; K189-C193 PolarHBondContact O-N 2.89Å; K189-C193 PolarHBondContact O-SG 3Å; M190-C193 PolarHBondContact O-N 3.32Å
194T89.7Confident89.3Confident97 Ų9749.2 Ų49.260%0.59524%0.242SC*.  trans-97.1-23.5-178.6570000112.7W139 E169W139-T194 PolarHBondContact NE1-OG1 3.04Å; E169-T194 VanDerWaalsContact CD-OG1 3.24Å; E169-T194 PolarHBondContact OE1-N 3.36Å; E169-T194 PolarHBondContact OE1-OG1 3.47Å; E169-T194 PolarHBondContact OE2-N 3.2Å; E169-T194 PolarHBondContact OE2-OG1 2.88Å
195S91.9Very high88.9Confident2 Ų246.9 Ų46.91%0.01424%0.238CC..  trans-66.7140.1175.9178.40000111.9W139 V140 E169 V197 S435W139-S195 PolarHBondContact O-OG 3.32Å; V140-S195 VanDerWaalsContact CA-OG 3.24Å; V140-S195 WeakPolarHBondContact CA-OG 3.34Å; E169-S195 WeakPolarHBondContact OE2-CB 3.28Å; E169-S195 PolarHBondContact OE2-N 3.31Å; S195-V197 PolarHBondContact OG-N 3.28Å; S195-V197 PolarHBondContact OG-O 3.04Å; S195-S435 PolarHBondContact OG-OG 3.16Å
196K92Very high88.7Confident93 Ų9343 Ų4340%0.40422%0.22SC..SBendtrans-93.8-5.5175.8-62.2-176.4-169.7161.70112.6Q222 V223 P433 S435K196-Q222 CarbonylContact O-C 3.58Å; K196-Q222 VanDerWaalsContact O-CA 3.25Å; K196-Q222 WeakPolarHBondContact O-CA 3.47Å; K196-V223 PolarHBondContact O-N 3.09Å; K196-P433 HydrophobicContact CD-CB 4.26Å; K196-S435 PolarHBondContact N-OG 2.96Å; K196-S435 VanDerWaalsContact N-OG 3.08Å
197V94.5Very high88.5Confident0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-121.2124.9-171.9173.30000110I132 W137 V140 I141 S195 L199 V223 V225I132-V197 HydrophobicContact CD1-CG1 3.89Å; W137-V197 HydrophobicContact CD2-CB 4.41Å; W137-V197 HydrophobicContact CD2-CG1 4.16Å; W137-V197 HydrophobicContact CD2-CG2 3.53Å; W137-V197 HydrophobicContact CE3-CB 4.32Å; W137-V197 HydrophobicContact CE3-CG1 3.59Å; W137-V197 HydrophobicContact CE3-CG2 3.8Å; W137-V197 HydrophobicContact CG-CG2 3.92Å; W137-V197 HydrophobicContact CH2-CG2 4.2Å; W137-V197 HydrophobicContact CZ2-CG2 3.94Å; W137-V197 HydrophobicContact CZ3-CG1 3.82Å; W137-V197 HydrophobicContact CZ3-CG2 4.14Å; V140-V197 HydrophobicContact CB-CG1 4.49Å; V140-V197 HydrophobicContact CG1-CB 4.12Å; V140-V197 HydrophobicContact CG1-CG1 3.92Å; I141-V197 PolarHBondContact N-O 3.12Å; S195-V197 PolarHBondContact OG-N 3.28Å; S195-V197 PolarHBondContact OG-O 3.04Å; V197-L199 HydrophobicContact CG1-CD1 4.36Å; V197-V223 WeakPolarHBondContact CA-O 3.16Å; V197-V225 HydrophobicContact CG1-CG2 4.43Å
198V94.4Very high88.4Confident0 Ų045.7 Ų45.70%023%0.232CC..EExtended strand (participates in β ladder)trans-119.9115.3-178-170.50000110I141 L143 M190 V200 V223 W224 V225I141-V198 HydrophobicContact CB-CG1 4.43Å; I141-V198 HydrophobicContact CB-CG2 4.4Å; I141-V198 HydrophobicContact CD1-CG2 4.27Å; I141-V198 HydrophobicContact CG2-CG1 4.35Å; L143-V198 HydrophobicContact CB-CG1 3.86Å; M190-V198 HydrophobicContact CE-CG1 4.36Å; M190-V198 HydrophobicContact CE-CG2 4.13Å; V198-V200 HydrophobicContact CG1-CG2 4.36Å; V198-V223 PolarHBondContact N-O 2.88Å; V198-W224 HydrophobicContact CB-CD2 4.16Å; V198-W224 HydrophobicContact CB-CE3 3.76Å; V198-W224 HydrophobicContact CB-CZ3 4.19Å; V198-W224 HydrophobicContact CG1-CE3 3.71Å; V198-W224 HydrophobicContact CG1-CZ3 3.77Å; V198-W224 HydrophobicContact CG2-CD2 4.46Å; V198-W224 HydrophobicContact CG2-CE3 4.3Å; V198-W224 HydrophobicContact CG2-CZ3 4.46Å; V198-W224 CarbonylContact O-C 3.57Å; V198-W224 WeakPolarHBondContact O-CA 3.26Å; V198-V225 PolarHBondContact O-N 2.75Å
199L95.9Very high88.2Confident0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-79.8129.6169.2-72.776000108.8V128 T129 I132 V140 I141 I142 L143 A157 L161 V197 F201V128-L199 HydrophobicContact CG1-CD2 4.08Å; V128-L199 HydrophobicContact CG1-CG 4.13Å; T129-L199 HydrophobicContact CG2-CD2 4.48Å; I132-L199 HydrophobicContact CD1-CD1 3.79Å; I132-L199 HydrophobicContact CD1-CG 4.04Å; I132-L199 HydrophobicContact CG1-CD1 3.95Å; I132-L199 HydrophobicContact CG1-CD2 4.02Å; I132-L199 HydrophobicContact CG1-CG 4.05Å; V140-L199 HydrophobicContact CB-CD1 3.73Å; V140-L199 HydrophobicContact CG1-CD1 4.11Å; V140-L199 HydrophobicContact CG2-CD1 3.91Å; I141-L199 PolarHBondContact O-N 3.39Å; I142-L199 HydrophobicContact CG1-CB 4.5Å; L143-L199 PolarHBondContact N-O 3Å; A157-L199 HydrophobicContact CB-CD2 4.26Å; L161-L199 HydrophobicContact CD1-CD2 3.88Å; V197-L199 HydrophobicContact CG1-CD1 4.36Å; L199-F201 HydrophobicContact CB-CE2 4.11Å; L199-F201 HydrophobicContact CB-CZ 4.26Å; L199-F201 HydrophobicContact CD2-CE2 4.29Å; L199-F201 HydrophobicContact CD2-CZ 4.08Å
200V93.8Very high88.2Confident4 Ų438.6 Ų38.62%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-114.4114.2-174.6-170.80000111.2V198 L202 F207 W224 V225V198-V200 HydrophobicContact CG1-CG2 4.36Å; V200-L202 HydrophobicContact CG1-CB 3.99Å; V200-L202 HydrophobicContact CG1-CD1 4.08Å; V200-L202 HydrophobicContact CG1-CG 3.87Å; V200-F207 HydrophobicContact CB-CE1 4.29Å; V200-F207 HydrophobicContact CB-CZ 4.48Å; V200-F207 HydrophobicContact CG1-CD1 3.79Å; V200-F207 HydrophobicContact CG1-CD2 4.29Å; V200-F207 HydrophobicContact CG1-CE1 3.72Å; V200-F207 HydrophobicContact CG1-CE2 4.28Å; V200-F207 HydrophobicContact CG1-CG 4.1Å; V200-F207 HydrophobicContact CG1-CZ 4.01Å; V200-F207 HydrophobicContact CG2-CE1 4.21Å; V200-F207 HydrophobicContact CG2-CE2 4.49Å; V200-F207 HydrophobicContact CG2-CZ 3.94Å; V200-W224 HydrophobicContact CG2-CB 4.27Å; V200-W224 HydrophobicContact CG2-CE3 3.6Å; V200-W224 HydrophobicContact CG2-CZ3 4.36Å; V200-V225 PolarHBondContact N-O 3.46Å
201F92.3Very high88.2Confident1 Ų138.5 Ų38.50%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-119.362.5173.5-53.9-55.4000109.9S125 V128 I142 L143 A144 Q145 F149 A153 A157 L199S125-F201 WeakPolarHBondContact OG-CD1 3.35Å; S125-F201 WeakPolarHBondContact OG-CE1 3.36Å; V128-F201 HydrophobicContact CB-CE1 4.41Å; V128-F201 HydrophobicContact CG1-CE1 4.29Å; V128-F201 HydrophobicContact CG1-CZ 4.33Å; I142-F201 HydrophobicContact CG2-CD2 3.8Å; I142-F201 HydrophobicContact CG2-CE2 3.93Å; L143-F201 PolarHBondContact O-N 3.29Å; A144-F201 HydrophobicContact CB-CB 4.4Å; Q145-F201 PolarHBondContact N-O 3.04Å; F149-F201 HydrophobicContact CE1-CB 4.43Å; F149-F201 HydrophobicContact CZ-CB 4.4Å; A153-F201 HydrophobicContact CB-CB 3.81Å; A153-F201 HydrophobicContact CB-CD1 3.73Å; A153-F201 HydrophobicContact CB-CD2 3.87Å; A153-F201 HydrophobicContact CB-CE1 4.25Å; A153-F201 HydrophobicContact CB-CE2 4.37Å; A153-F201 HydrophobicContact CB-CG 3.52Å; A157-F201 HydrophobicContact CB-CE2 3.77Å; A157-F201 HydrophobicContact CB-CZ 3.94Å; L199-F201 HydrophobicContact CB-CE2 4.11Å; L199-F201 HydrophobicContact CB-CZ 4.26Å; L199-F201 HydrophobicContact CD2-CE2 4.29Å; L199-F201 HydrophobicContact CD2-CZ 4.08Å
202L88.3Confident88.1Confident19 Ų1937.8 Ų37.810%0.09920%0.197CC..  trans-119.8151.9-179.6-62.4-177.3000111.1L143 Q145 V174 V200 F207 I210L143-L202 HydrophobicContact CD2-CD1 3.64Å; L143-L202 HydrophobicContact CD2-CG 4.44Å; L143-L202 HydrophobicContact CG-CD1 3.9Å; L143-L202 HydrophobicContact CG-CD2 4.46Å; L143-L202 HydrophobicContact CG-CG 4.26Å; Q145-L202 HydrophobicContact CB-CD2 3.93Å; V174-L202 HydrophobicContact CB-CD2 3.73Å; V174-L202 HydrophobicContact CG1-CD2 4.43Å; V174-L202 HydrophobicContact CG2-CD1 4.13Å; V174-L202 HydrophobicContact CG2-CD2 3.73Å; V200-L202 HydrophobicContact CG1-CB 3.99Å; V200-L202 HydrophobicContact CG1-CD1 4.08Å; V200-L202 HydrophobicContact CG1-CG 3.87Å; L202-F207 HydrophobicContact CB-CB 4.04Å; L202-F207 HydrophobicContact CD1-CB 4.13Å; L202-F207 HydrophobicContact CD1-CD2 4.22Å; L202-F207 HydrophobicContact CD1-CG 4.36Å; L202-I210 HydrophobicContact CD1-CG1 4.06Å
203S81.9Confident88Confident37 Ų3731 Ų3126%0.25918%0.177SC..  trans-63.6154.316262.70000111Q145 S205 N206 F207Q145-S203 VanDerWaalsContact OE1-CB 3.32Å; Q145-S203 VanDerWaalsContact OE1-N 3.11Å; Q145-S203 PolarHBondContact OE1-OG 3.2Å; S203-S205 PolarHBondContact O-N 3.46Å; S203-S205 PolarHBondContact OG-OG 3.21Å; S203-N206 PolarHBondContact O-N 2.93Å; S203-N206 WeakPolarHBondContact OG-CB 3.45Å; S203-N206 PolarHBondContact OG-N 3.44Å; S203-N206 PolarHBondContact OG-ND2 3.31Å; S203-F207 PolarHBondContact O-N 2.97Å
204N78Confident87.9Confident75 Ų7530.2 Ų30.240%0.40117%0.171SC..Hα-helixtrans-56.7-37.7179.2-70.4-41.3000112.5Q208 L230N204-Q208 WeakPolarHBondContact O-CB 3.28Å; N204-Q208 PolarHBondContact O-N 3.36Å; N204-L230 HydrophobicContact CB-CD2 4.38Å; N204-L230 WeakPolarHBondContact ND2-CD2 3.42Å
205S78.9Confident87.6Confident69 Ų6928.5 Ų28.548%0.48316%0.158SC..Hα-helixtrans-65.7-46.2177.345.40000112.5S203 Q208 L209S203-S205 PolarHBondContact O-N 3.46Å; S203-S205 PolarHBondContact OG-OG 3.21Å; S205-Q208 PolarHBondContact O-N 3.04Å; S205-L209 WeakPolarHBondContact O-CG 3.33Å; S205-L209 PolarHBondContact O-N 2.81Å
206N84.3Confident86.7Confident9 Ų932.6 Ų32.65%0.04820%0.2CC..Hα-helixtrans-72.4-33.4179.9-76.4-21.2000112Q145 V174 S203 L209 I210Q145-N206 PolarHBondContact OE1-ND2 2.71Å; V174-N206 HydrophobicContact CG1-CB 4.29Å; S203-N206 PolarHBondContact O-N 2.93Å; S203-N206 WeakPolarHBondContact OG-CB 3.45Å; S203-N206 PolarHBondContact OG-N 3.44Å; S203-N206 PolarHBondContact OG-ND2 3.31Å; N206-L209 PolarHBondContact O-N 3.1Å; N206-I210 PolarHBondContact O-N 3.08Å; N206-I210 VanDerWaalsContact O-N 3.16Å
207F86.6Confident86.1Confident2 Ų229.9 Ų29.91%0.00919%0.192CC..Hα-helixtrans-65.9-40.7173.8-163.3-176000111.5V200 L202 S203 L209 I210 L211 W224 H231 L245V200-F207 HydrophobicContact CB-CE1 4.29Å; V200-F207 HydrophobicContact CB-CZ 4.48Å; V200-F207 HydrophobicContact CG1-CD1 3.79Å; V200-F207 HydrophobicContact CG1-CD2 4.29Å; V200-F207 HydrophobicContact CG1-CE1 3.72Å; V200-F207 HydrophobicContact CG1-CE2 4.28Å; V200-F207 HydrophobicContact CG1-CG 4.1Å; V200-F207 HydrophobicContact CG1-CZ 4.01Å; V200-F207 HydrophobicContact CG2-CE1 4.21Å; V200-F207 HydrophobicContact CG2-CE2 4.49Å; V200-F207 HydrophobicContact CG2-CZ 3.94Å; L202-F207 HydrophobicContact CB-CB 4.04Å; L202-F207 HydrophobicContact CD1-CB 4.13Å; L202-F207 HydrophobicContact CD1-CD2 4.22Å; L202-F207 HydrophobicContact CD1-CG 4.36Å; S203-F207 PolarHBondContact O-N 2.97Å; F207-L209 VanDerWaalsContact C-N 3.27Å; F207-L209 PolarHBondContact O-N 3.19Å; F207-I210 HydrophobicContact CD2-CB 4.43Å; F207-I210 PolarHBondContact O-N 3.08Å; F207-I210 VanDerWaalsContact O-N 3.16Å; F207-L211 HydrophobicContact CD2-CD1 4.26Å; F207-L211 HydrophobicContact CD2-CD2 4.33Å; F207-L211 HydrophobicContact CD2-CG 3.9Å; F207-L211 HydrophobicContact CE2-CD1 4.26Å; F207-L211 HydrophobicContact CE2-CD2 3.74Å; F207-L211 HydrophobicContact CE2-CG 3.83Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 WeakPolarHBondContact O-CG 3.28Å; F207-L211 PolarHBondContact O-N 3.18Å; F207-W224 HydrophobicContact CE2-CE3 4.02Å; F207-W224 HydrophobicContact CE2-CZ3 4.07Å; F207-W224 HydrophobicContact CZ-CD2 4.45Å; F207-W224 HydrophobicContact CZ-CE3 4.03Å; F207-H231 HydrophobicContact CD1-CB 3.55Å; F207-H231 AromaticContact CD1-CD2 3.49Å; F207-H231 VanDerWaalsContact CD1-CD2 3.49Å; F207-H231 WeakPolarHBondContact CD1-CD2 3.5Å; F207-H231 AromaticContact CD1-CG 3.23Å; F207-H231 AromaticContact CD1-ND1 3.64Å; F207-H231 HydrophobicContact CE1-CB 4.04Å; F207-H231 AromaticContact CE1-CD2 3.04Å; F207-H231 WeakPolarHBondContact CE1-CD2 3.39Å; F207-H231 AromaticContact CE1-CE1 3.87Å; F207-H231 AromaticContact CE1-CG 3.36Å; F207-H231 AromaticContact CE1-ND1 3.86Å; F207-H231 AromaticContact CE1-NE2 3.42Å; F207-H231 WeakPolarHBondContact CE1-NE2 3.31Å; F207-H231 HydrophobicContact CG-CB 4.24Å; F207-H231 AromaticContact CZ-CD2 3.96Å; F207-L245 HydrophobicContact CZ-CD2 4.5Å
208Q84.8Confident84.9Confident74 Ų7435.2 Ų35.235%0.34623%0.226SC..Hα-helixtrans-56.3-41.7174.1178.1174.6-0.200112.1N204 S205 L211 H212 L234N204-Q208 WeakPolarHBondContact O-CB 3.28Å; N204-Q208 PolarHBondContact O-N 3.36Å; S205-Q208 PolarHBondContact O-N 3.04Å; Q208-L211 PolarHBondContact O-N 2.93Å; Q208-H212 PolarHBondContact O-CD2 3.46Å; Q208-H212 PolarHBondContact O-N 3.31Å; Q208-L234 HydrophobicContact CB-CD1 3.83Å; Q208-L234 HydrophobicContact CG-CD1 3.87Å
209L85.6Confident83.6Confident41 Ų4136.2 Ų36.222%0.21523%0.232CC..Hα-helixtrans-63.3-42.1177.1-67172.8000112.4Q178 I183 S205 N206 F207 H212 G213Q178-L209 HydrophobicContact CG-CD1 3.88Å; I183-L209 HydrophobicContact CD1-CB 3.94Å; I183-L209 HydrophobicContact CD1-CD1 3.98Å; I183-L209 HydrophobicContact CD1-CG 4.46Å; S205-L209 WeakPolarHBondContact O-CG 3.33Å; S205-L209 PolarHBondContact O-N 2.81Å; N206-L209 PolarHBondContact O-N 3.1Å; F207-L209 VanDerWaalsContact C-N 3.27Å; F207-L209 PolarHBondContact O-N 3.19Å; L209-H212 PolarHBondContact O-N 3.42Å; L209-G213 PolarHBondContact O-N 3.25Å
210I88.6Confident81.9Confident0 Ų042.1 Ų42.10%027%0.274CS..Hα-helixtrans-61.8-46.1174.5-66-70.4000110.5L143 V174 I183 T186 L202 N206 F207 H212 G213 L214 W224L143-I210 HydrophobicContact CD2-CG2 4.25Å; V174-I210 HydrophobicContact CG1-CD1 4.26Å; V174-I210 HydrophobicContact CG1-CG1 4.35Å; V174-I210 HydrophobicContact CG2-CD1 3.86Å; V174-I210 HydrophobicContact CG2-CG1 4.14Å; I183-I210 HydrophobicContact CG2-CD1 4.27Å; T186-I210 HydrophobicContact CG2-CD1 4.18Å; L202-I210 HydrophobicContact CD1-CG1 4.06Å; N206-I210 PolarHBondContact O-N 3.08Å; N206-I210 VanDerWaalsContact O-N 3.16Å; F207-I210 HydrophobicContact CD2-CB 4.43Å; F207-I210 PolarHBondContact O-N 3.08Å; F207-I210 VanDerWaalsContact O-N 3.16Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.13Å; I210-G213 PolarHBondContact O-N 2.76Å; I210-G213 VanDerWaalsContact O-N 3.08Å; I210-L214 HydrophobicContact CG2-CD1 3.82Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.07Å; I210-L214 VanDerWaalsContact O-N 3.07Å; I210-W224 HydrophobicContact CG2-CH2 4.4Å
211L87.4Confident80.8Confident0 Ų044.2 Ų44.20%030%0.296CS..Hα-helixtrans-61.4-39.4178.8-67173.4000112.5F207 Q208 L214 L215 L234 I241 V244 L245F207-L211 HydrophobicContact CD2-CD1 4.26Å; F207-L211 HydrophobicContact CD2-CD2 4.33Å; F207-L211 HydrophobicContact CD2-CG 3.9Å; F207-L211 HydrophobicContact CE2-CD1 4.26Å; F207-L211 HydrophobicContact CE2-CD2 3.74Å; F207-L211 HydrophobicContact CE2-CG 3.83Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 WeakPolarHBondContact O-CG 3.28Å; F207-L211 PolarHBondContact O-N 3.18Å; Q208-L211 PolarHBondContact O-N 2.93Å; L211-L214 PolarHBondContact O-N 3.08Å; L211-L215 PolarHBondContact O-N 3.3Å; L211-L234 HydrophobicContact CD1-CD1 4.21Å; L211-I241 HydrophobicContact CB-CD1 4.05Å; L211-I241 HydrophobicContact CD1-CG2 4.22Å; L211-V244 HydrophobicContact CD2-CG1 4.03Å; L211-L245 HydrophobicContact CD1-CD1 4.03Å; L211-L245 HydrophobicContact CD2-CD1 4.42Å; L211-L245 HydrophobicContact CD2-CD2 3.67Å; L211-L245 HydrophobicContact CD2-CG 4.12Å
212H85Confident80.5Confident80 Ų8045 Ų4537%0.3730%0.3SS..Hα-helixtrans-63.6-41.2172.5-84-69.9000112.4Q208 L209 I210 L214 L215Q208-H212 PolarHBondContact O-CD2 3.46Å; Q208-H212 PolarHBondContact O-N 3.31Å; L209-H212 PolarHBondContact O-N 3.42Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.13Å; H212-L214 PolarHBondContact O-N 2.86Å; H212-L215 WeakPolarHBondContact O-CB 3.37Å; H212-L215 PolarHBondContact O-N 3.47Å
213G84.9Confident80.6Confident31 Ų3144.4 Ų44.432%0.3230%0.297SS..Hα-helixtrans-63.5-23.6176.100000113.9L209 I210 V217L209-G213 PolarHBondContact O-N 3.25Å; I210-G213 PolarHBondContact O-N 2.76Å; I210-G213 VanDerWaalsContact O-N 3.08Å; G213-V217 WeakPolarHBondContact O-CG2 3.24Å
214L86.6Confident81Confident1 Ų142.7 Ų42.71%0.00529%0.285CS..THydrogen-bonded Turntrans-89-4.9178.3-62.3164000113.2V187 I210 L211 H212 G216 V217 V219 W224 V244V187-L214 HydrophobicContact CB-CD2 4.43Å; V187-L214 HydrophobicContact CG1-CD2 3.82Å; V187-L214 HydrophobicContact CG2-CD2 4.1Å; V187-L214 HydrophobicContact CG2-CG 4.35Å; I210-L214 HydrophobicContact CG2-CD1 3.82Å; I210-L214 HydrophobicContact CG2-CG 4.45Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.39Å; I210-L214 PolarHBondContact O-N 3.07Å; I210-L214 VanDerWaalsContact O-N 3.07Å; L211-L214 PolarHBondContact O-N 3.08Å; H212-L214 PolarHBondContact O-N 2.86Å; L214-G216 PolarHBondContact O-N 2.95Å; L214-V217 WeakPolarHBondContact O-CB 3.28Å; L214-V217 PolarHBondContact O-N 3.32Å; L214-V217 VanDerWaalsContact O-N 3.17Å; L214-V219 HydrophobicContact CB-CG2 4.21Å; L214-V219 HydrophobicContact CD2-CG1 4.49Å; L214-V219 HydrophobicContact CD2-CG2 3.65Å; L214-V219 HydrophobicContact CG-CG2 4.43Å; L214-W224 HydrophobicContact CD1-CH2 3.57Å; L214-W224 HydrophobicContact CD1-CZ2 3.62Å; L214-V244 HydrophobicContact CB-CG1 4.44Å; L214-V244 HydrophobicContact CB-CG2 4.29Å; L214-V244 HydrophobicContact CD1-CG1 4.05Å
215L84.1Confident81.8Confident61 Ų6139.1 Ų39.132%0.31927%0.266SS..THydrogen-bonded Turntrans-66.3126.6176.7-71.4174.1000110.7L211 H212 V217 I238 I241L211-L215 PolarHBondContact O-N 3.3Å; H212-L215 WeakPolarHBondContact O-CB 3.37Å; H212-L215 PolarHBondContact O-N 3.47Å; L215-V217 PolarHBondContact O-N 3.15Å; L215-I238 HydrophobicContact CD1-CG2 4.49Å; L215-I241 HydrophobicContact CD2-CG1 3.83Å; L215-I241 HydrophobicContact CG-CG1 4.42Å
216G73.5Confident82.4Confident87 Ų8736 Ų3690%0.89724%0.243SC*.THydrogen-bonded Turntrans76.43.1-177.300000114.2L214L214-G216 PolarHBondContact O-N 2.95Å
217V79.1Confident82.4Confident37 Ų3737.9 Ų37.922%0.22425%0.251CS..SBendtrans-95.7132.8175.7-1740000109.2V187 Q191 G213 L214 L215 V219V187-V217 HydrophobicContact CG1-CG1 4.43Å; V187-V217 HydrophobicContact CG1-CG2 4.28Å; Q191-V217 VanDerWaalsContact CD-CG1 3.42Å; Q191-V217 HydrophobicContact CG-CG1 3.57Å; G213-V217 WeakPolarHBondContact O-CG2 3.24Å; L214-V217 WeakPolarHBondContact O-CB 3.28Å; L214-V217 PolarHBondContact O-N 3.32Å; L214-V217 VanDerWaalsContact O-N 3.17Å; L215-V217 PolarHBondContact O-N 3.15Å; V217-V219 VanDerWaalsContact C-N 3.34Å; V217-V219 HydrophobicContact CB-CG2 3.97Å; V217-V219 HydrophobicContact CG1-CG2 3.87Å; V217-V219 WeakPolarHBondContact O-CG2 3.42Å; V217-V219 PolarHBondContact O-N 3.15Å
218P68.6Low82Confident111 Ų11138.7 Ų38.772%0.72126%0.26SS*.  trans-74.886.5177.829.9-34000110.6
219V67.5Low81.5Confident21 Ų2135.5 Ų35.513%0.12725%0.246CC..  trans-110.359.4173.9-136.10000108.7L214 V217 Q222L214-V219 HydrophobicContact CB-CG2 4.21Å; L214-V219 HydrophobicContact CD2-CG1 4.49Å; L214-V219 HydrophobicContact CD2-CG2 3.65Å; L214-V219 HydrophobicContact CG-CG2 4.43Å; V217-V219 VanDerWaalsContact C-N 3.34Å; V217-V219 HydrophobicContact CB-CG2 3.97Å; V217-V219 HydrophobicContact CG1-CG2 3.87Å; V217-V219 WeakPolarHBondContact O-CG2 3.42Å; V217-V219 PolarHBondContact O-N 3.15Å; V219-Q222 HydrophobicContact CG1-CG 4.37Å; V219-Q222 VanDerWaalsContact CG1-OE1 3.29Å
220S60Low80.9Confident125 Ų12536.5 Ų36.587%0.87425%0.251SS*.THydrogen-bonded Turntrans-80.3127.8-172.2-167.20000111.3
221G71.6Confident80Confident48 Ų4836.7 Ų36.750%0.49525%0.252SS..THydrogen-bonded Turntrans89.18.117000000116.3
222Q85.1Confident79.3Confident17 Ų1736.7 Ų36.78%0.07925%0.252CS..  trans-78.1136.3170.5-75.5-177.4-4.700111.5K196 V219K196-Q222 CarbonylContact O-C 3.58Å; K196-Q222 VanDerWaalsContact O-CA 3.25Å; K196-Q222 WeakPolarHBondContact O-CA 3.47Å; V219-Q222 HydrophobicContact CG1-CG 4.37Å; V219-Q222 VanDerWaalsContact CG1-OE1 3.29Å
223V90.1Very high78.7Confident7 Ų733 Ų334%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-109.3123.5174.4169.90000108.5W137 K196 V197 V198 V225 G247 F249 P433W137-V223 HydrophobicContact CH2-CG1 3.93Å; W137-V223 HydrophobicContact CZ2-CG1 4.41Å; K196-V223 PolarHBondContact O-N 3.09Å; V197-V223 WeakPolarHBondContact CA-O 3.16Å; V198-V223 PolarHBondContact N-O 2.88Å; V223-V225 HydrophobicContact CG1-CG2 4.49Å; V223-G247 WeakPolarHBondContact CG1-O 3.23Å; V223-F249 HydrophobicContact CG1-CD2 3.63Å; V223-F249 HydrophobicContact CG1-CE2 3.8Å; V223-P433 HydrophobicContact CB-CG 4.41Å; V223-P433 HydrophobicContact CG2-CG 3.46Å; V223-P433 VanDerWaalsContact CG2-CG 3.46Å
224W91.6Very high78.2Confident1 Ų132.5 Ų32.50%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-96.7142.6179.8-5275.7000109L143 M190 V198 V200 F207 I210 L214 V244 T248 F249L143-W224 HydrophobicContact CD2-CZ3 3.81Å; M190-W224 HydrophobicContact CE-CH2 3.11Å; M190-W224 HydrophobicContact CE-CZ2 3.83Å; M190-W224 HydrophobicContact CE-CZ3 3.68Å; M190-W224 HydrophobicContact SD-CH2 3.96Å; V198-W224 HydrophobicContact CB-CD2 4.16Å; V198-W224 HydrophobicContact CB-CE3 3.76Å; V198-W224 HydrophobicContact CB-CZ3 4.19Å; V198-W224 HydrophobicContact CG1-CE3 3.71Å; V198-W224 HydrophobicContact CG1-CZ3 3.77Å; V198-W224 HydrophobicContact CG2-CD2 4.46Å; V198-W224 HydrophobicContact CG2-CE3 4.3Å; V198-W224 HydrophobicContact CG2-CZ3 4.46Å; V198-W224 CarbonylContact O-C 3.57Å; V198-W224 WeakPolarHBondContact O-CA 3.26Å; V200-W224 HydrophobicContact CG2-CB 4.27Å; V200-W224 HydrophobicContact CG2-CE3 3.6Å; V200-W224 HydrophobicContact CG2-CZ3 4.36Å; F207-W224 HydrophobicContact CE2-CE3 4.02Å; F207-W224 HydrophobicContact CE2-CZ3 4.07Å; F207-W224 HydrophobicContact CZ-CD2 4.45Å; F207-W224 HydrophobicContact CZ-CE3 4.03Å; I210-W224 HydrophobicContact CG2-CH2 4.4Å; L214-W224 HydrophobicContact CD1-CH2 3.57Å; L214-W224 HydrophobicContact CD1-CZ2 3.62Å; W224-V244 HydrophobicContact CZ2-CG1 4.11Å; W224-V244 PolarHBondContact NE1-O 2.71Å; W224-T248 HydrophobicContact CB-CG2 3.71Å; W224-T248 CarbonylContact O-C 3.53Å; W224-T248 WeakPolarHBondContact O-CA 3.18Å; W224-T248 WeakPolarHBondContact O-CG2 3.36Å; W224-F249 PolarHBondContact O-N 2.93Å
225V93.9Very high77.5Confident0 Ų032.9 Ų32.90%023%0.229CC..EExtended strand (participates in β ladder)trans-129.6115.6176.3-168.20000108.7V128 L131 I132 W137 V197 V198 V200 V223 F249V128-V225 HydrophobicContact CG1-CB 4.29Å; V128-V225 HydrophobicContact CG1-CG1 3.79Å; L131-V225 HydrophobicContact CD2-CG1 3.91Å; I132-V225 HydrophobicContact CD1-CB 4.22Å; I132-V225 HydrophobicContact CD1-CG1 4.44Å; I132-V225 HydrophobicContact CD1-CG2 3.85Å; W137-V225 HydrophobicContact CH2-CG2 4.38Å; W137-V225 HydrophobicContact CZ3-CG2 3.88Å; V197-V225 HydrophobicContact CG1-CG2 4.43Å; V198-V225 PolarHBondContact O-N 2.75Å; V200-V225 PolarHBondContact N-O 3.46Å; V223-V225 HydrophobicContact CG1-CG2 4.49Å; V225-F249 WeakPolarHBondContact CA-O 3.39Å; V225-F249 HydrophobicContact CG1-CB 4.24Å; V225-F249 HydrophobicContact CG2-CB 4.41Å; V225-F249 HydrophobicContact CG2-CD2 4.47Å
226S91.3Very high76.8Confident2 Ų234 Ų341%0.01424%0.235CC..EExtended strand (participates in β ladder)trans-133.2153-166.659.50000113G228 H231 F249 L251S226-G228 PolarHBondContact O-N 3.2Å; S226-G228 PolarHBondContact OG-O 2.02Å; S226-H231 WeakPolarHBondContact CB-CE1 3.43Å; S226-H231 WeakPolarHBondContact CB-NE2 3.35Å; S226-H231 PolarHBondContact OG-CE1 3.2Å; S226-H231 PolarHBondContact OG-NE2 3.1Å; S226-F249 PolarHBondContact N-O 2.95Å; S226-F249 PolarHBondContact OG-O 3.43Å; S226-L251 PolarHBondContact O-N 3.25Å; S226-L251 VanDerWaalsContact O-N 3.09Å
227K83.9Confident76.7Confident50 Ų5034 Ų3422%0.21722%0.217CC..EExtended strand (participates in β ladder)trans-76.2104.7165177-174.1-178.71540108.4S120 D121 S124S120-K227 PolarHBondContact O-NZ 3.41Å; S120-K227 VanDerWaalsContact O-NZ 3.15Å; D121-K227 VanDerWaalsContact OD1-CD 3.29Å; D121-K227 WeakPolarHBondContact OD1-CD 3.29Å; D121-K227 WeakPolarHBondContact OD1-CE 3.38Å; D121-K227 IonicContact OD1-NZ 3.89Å; D121-K227 PolarHBondContact OD1-NZ 3.33Å; S124-K227 WeakPolarHBondContact OG-CE 3.35Å; S124-K227 PolarHBondContact OG-NZ 3.29Å
228G79.8Confident76.6Confident19 Ų1933.8 Ų33.820%0.19621%0.214CC..  trans108.9167.1176.100000114.1S226 H231 G250 L251S226-G228 PolarHBondContact O-N 3.2Å; S226-G228 PolarHBondContact OG-O 2.02Å; G228-H231 PolarHBondContact O-CE1 3.21Å; G228-G250 WeakPolarHBondContact O-CA 2.92Å; G228-L251 WeakPolarHBondContact CA-O 3.39Å; G228-L251 PolarHBondContact N-O 3.03Å
229T73.8Confident77Confident6 Ų634 Ų344%0.03722%0.216CC..SBendtrans-119.1-3.9-179.260.50000113.5H231 M232 A233 L252 F394T229-H231 PolarHBondContact O-N 2.92Å; T229-M232 HydrophobicContact CG2-CE 3.45Å; T229-M232 VanDerWaalsContact CG2-CE 3.45Å; T229-M232 WeakPolarHBondContact O-CB 3.45Å; T229-M232 PolarHBondContact O-N 3.21Å; T229-A233 PolarHBondContact O-N 3.04Å; T229-L252 HydrophobicContact CG2-CB 4.15Å; T229-L252 HydrophobicContact CG2-CD1 4.47Å; T229-F394 HydrophobicContact CG2-CB 4.1Å; T229-F394 HydrophobicContact CG2-CD2 4.07Å; T229-F394 HydrophobicContact CG2-CG 4.29Å
230L71.7Confident77.6Confident63 Ų6334.4 Ų34.433%0.3322%0.224SC..Hα-helixtrans-63.9-42.2-172.7-171.368.7000112.9N204 M232 A233 F318 V321N204-L230 HydrophobicContact CB-CD2 4.38Å; N204-L230 WeakPolarHBondContact ND2-CD2 3.42Å; L230-M232 VanDerWaalsContact C-N 3.27Å; L230-M232 PolarHBondContact O-N 2.89Å; L230-A233 VanDerWaalsContact O-CB 3.3Å; L230-A233 WeakPolarHBondContact O-CB 3.44Å; L230-A233 PolarHBondContact O-N 3.07Å; L230-A233 VanDerWaalsContact O-N 3.16Å; L230-F318 HydrophobicContact CD1-CD2 4.18Å; L230-F318 HydrophobicContact CD1-CG 4.38Å; L230-V321 HydrophobicContact CD1-CB 4.42Å; L230-V321 HydrophobicContact CD1-CG1 4.01Å; L230-V321 HydrophobicContact CD1-CG2 4.39Å
231H71Confident78.7Confident4 Ų428.4 Ų28.42%0.01918%0.182CC..Hα-helixtrans-66.6-28.917556.8-90.6000112.2F207 S226 G228 T229 A233 L234F207-H231 HydrophobicContact CD1-CB 3.55Å; F207-H231 AromaticContact CD1-CD2 3.49Å; F207-H231 VanDerWaalsContact CD1-CD2 3.49Å; F207-H231 WeakPolarHBondContact CD1-CD2 3.5Å; F207-H231 AromaticContact CD1-CG 3.23Å; F207-H231 AromaticContact CD1-ND1 3.64Å; F207-H231 HydrophobicContact CE1-CB 4.04Å; F207-H231 AromaticContact CE1-CD2 3.04Å; F207-H231 WeakPolarHBondContact CE1-CD2 3.39Å; F207-H231 AromaticContact CE1-CE1 3.87Å; F207-H231 AromaticContact CE1-CG 3.36Å; F207-H231 AromaticContact CE1-ND1 3.86Å; F207-H231 AromaticContact CE1-NE2 3.42Å; F207-H231 WeakPolarHBondContact CE1-NE2 3.31Å; F207-H231 HydrophobicContact CG-CB 4.24Å; F207-H231 AromaticContact CZ-CD2 3.96Å; S226-H231 WeakPolarHBondContact CB-CE1 3.43Å; S226-H231 WeakPolarHBondContact CB-NE2 3.35Å; S226-H231 PolarHBondContact OG-CE1 3.2Å; S226-H231 PolarHBondContact OG-NE2 3.1Å; G228-H231 PolarHBondContact O-CE1 3.21Å; T229-H231 PolarHBondContact O-N 2.92Å; H231-A233 PolarHBondContact O-N 3.25Å; H231-L234 HydrophobicContact CB-CD1 4.47Å; H231-L234 WeakPolarHBondContact O-CB 3.4Å; H231-L234 WeakPolarHBondContact O-CG 3.04Å; H231-L234 PolarHBondContact O-N 3.04Å; H231-L234 VanDerWaalsContact O-N 3.17Å
232M73.1Confident79.2Confident0 Ų027.2 Ų27.20%017%0.166CC..Hα-helixtrans-69.6-28.8174.2-60-169.6-76.300112T229 L230 L234 A235 L245 T248 G250 F394 L406T229-M232 HydrophobicContact CG2-CE 3.45Å; T229-M232 VanDerWaalsContact CG2-CE 3.45Å; T229-M232 WeakPolarHBondContact O-CB 3.45Å; T229-M232 PolarHBondContact O-N 3.21Å; L230-M232 VanDerWaalsContact C-N 3.27Å; L230-M232 PolarHBondContact O-N 2.89Å; M232-L234 PolarHBondContact O-N 3.3Å; M232-A235 VanDerWaalsContact O-CB 3.25Å; M232-A235 WeakPolarHBondContact O-CB 3.49Å; M232-A235 PolarHBondContact O-N 3.36Å; M232-L245 HydrophobicContact CB-CD1 4.48Å; M232-T248 HydrophobicContact CG-CG2 3.99Å; M232-T248 HydrophobicContact SD-CG2 3.66Å; M232-G250 VanDerWaalsContact CE-CA 3.49Å; M232-F394 HydrophobicContact CE-CB 4.3Å; M232-L406 HydrophobicContact CB-CD1 4.5Å; M232-L406 HydrophobicContact CB-CD2 3.72Å; M232-L406 HydrophobicContact CE-CD2 3.71Å; M232-L406 HydrophobicContact CG-CD2 4.4Å; M232-L406 HydrophobicContact SD-CD2 3.75Å
233A71.3Confident78.9Confident3 Ų333.5 Ų33.53%0.02520%0.195CC..Hα-helixtrans-66.4-18.7174.700000112.5T229 L230 H231 A235 L236 F318T229-A233 PolarHBondContact O-N 3.04Å; L230-A233 VanDerWaalsContact O-CB 3.3Å; L230-A233 WeakPolarHBondContact O-CB 3.44Å; L230-A233 PolarHBondContact O-N 3.07Å; L230-A233 VanDerWaalsContact O-N 3.16Å; H231-A233 PolarHBondContact O-N 3.25Å; A233-A235 PolarHBondContact O-N 3.43Å; A233-L236 VanDerWaalsContact O-CB 3.3Å; A233-L236 WeakPolarHBondContact O-CB 3.38Å; A233-L236 PolarHBondContact O-N 3.47Å; A233-F318 HydrophobicContact CB-CD1 3.26Å; A233-F318 HydrophobicContact CB-CE1 3.64Å; A233-F318 HydrophobicContact CB-CG 4.15Å
234L73.9Confident78.6Confident20 Ų2033.8 Ų33.811%0.10520%0.197CC..Hα-helixtrans-63.1-25.9171-61.5172.7000112.7Q208 L211 H231 M232 L236 T237 I238 I241Q208-L234 HydrophobicContact CB-CD1 3.83Å; Q208-L234 HydrophobicContact CG-CD1 3.87Å; L211-L234 HydrophobicContact CD1-CD1 4.21Å; H231-L234 HydrophobicContact CB-CD1 4.47Å; H231-L234 WeakPolarHBondContact O-CB 3.4Å; H231-L234 WeakPolarHBondContact O-CG 3.04Å; H231-L234 PolarHBondContact O-N 3.04Å; H231-L234 VanDerWaalsContact O-N 3.17Å; M232-L234 PolarHBondContact O-N 3.3Å; L234-L236 PolarHBondContact O-N 3.28Å; L234-T237 WeakPolarHBondContact CA-OG1 3.41Å; L234-T237 PolarHBondContact O-N 3.35Å; L234-T237 VanDerWaalsContact O-N 3.12Å; L234-T237 PolarHBondContact O-OG1 3.05Å; L234-I238 HydrophobicContact CB-CD1 4.35Å; L234-I238 HydrophobicContact CD2-CD1 4.21Å; L234-I238 PolarHBondContact O-N 3.48Å; L234-I241 HydrophobicContact CB-CD1 4.32Å
235A71.8Confident78.3Confident9 Ų933.8 Ų33.87%0.07420%0.197CC..Hα-helixtrans-64.5-20173.700000113.2M232 A233 I241 L245 F404M232-A235 VanDerWaalsContact O-CB 3.25Å; M232-A235 WeakPolarHBondContact O-CB 3.49Å; M232-A235 PolarHBondContact O-N 3.36Å; A233-A235 PolarHBondContact O-N 3.43Å; A235-I241 HydrophobicContact CB-CG2 4.18Å; A235-L245 HydrophobicContact CB-CD1 4.26Å; A235-F404 HydrophobicContact CB-CD1 3.59Å; A235-F404 HydrophobicContact CB-CD2 4.15Å; A235-F404 HydrophobicContact CB-CE1 3.58Å; A235-F404 HydrophobicContact CB-CE2 4.14Å; A235-F404 HydrophobicContact CB-CG 3.88Å; A235-F404 HydrophobicContact CB-CZ 3.85Å
236L71.1Confident77.8Confident85 Ų8537.4 Ų37.445%0.44521%0.214SC..Hα-helixtrans-82.8-24.8175.4-58.4171.8000112.2A233 L234 F404A233-L236 VanDerWaalsContact O-CB 3.3Å; A233-L236 WeakPolarHBondContact O-CB 3.38Å; A233-L236 PolarHBondContact O-N 3.47Å; L234-L236 PolarHBondContact O-N 3.28Å; L236-F404 HydrophobicContact CD2-CB 4.22Å; L236-F404 HydrophobicContact CD2-CD1 3.97Å; L236-F404 WeakPolarHBondContact CD2-O 3.33Å; L236-F404 HydrophobicContact CG-CD1 4.36Å
237T70.9Confident77.5Confident85 Ų8538 Ų3852%0.52122%0.22SC..Hα-helixtrans-107.5-30-17154.90000113.4L234 F318L234-T237 WeakPolarHBondContact CA-OG1 3.41Å; L234-T237 PolarHBondContact O-N 3.35Å; L234-T237 VanDerWaalsContact O-N 3.12Å; L234-T237 PolarHBondContact O-OG1 3.05Å; T237-F318 HydrophobicContact CG2-CE1 4.06Å
238I76.5Confident77.8Confident33 Ų3335.6 Ų35.617%0.16921%0.209CC..SBendtrans-112117.8-174.1-56.4175000109.6L215 L234 G240 I241L215-I238 HydrophobicContact CD1-CG2 4.49Å; L234-I238 HydrophobicContact CB-CD1 4.35Å; L234-I238 HydrophobicContact CD2-CD1 4.21Å; L234-I238 PolarHBondContact O-N 3.48Å; I238-G240 PolarHBondContact O-N 2.89Å; I238-I241 HydrophobicContact CB-CD1 3.64Å; I238-I241 HydrophobicContact CB-CG1 3.99Å; I238-I241 HydrophobicContact CD1-CD1 3.68Å; I238-I241 HydrophobicContact CG1-CD1 4.21Å; I238-I241 HydrophobicContact CG2-CD1 3.67Å; I238-I241 HydrophobicContact CG2-CG1 3.81Å; I238-I241 PolarHBondContact O-N 3.3Å
239P77.8Confident78.3Confident117 Ų11734.7 Ų34.776%0.7620%0.2SC*.THydrogen-bonded Turntrans-56.1137.5175.4-24.834.2000112.1I241P239-I241 PolarHBondContact O-N 2.96Å
240G78.9Confident79.1Confident28 Ų2834.4 Ų34.429%0.28920%0.198SC..THydrogen-bonded Turntrans91.6-34178.400000115.2I238 S242 Q243I238-G240 PolarHBondContact O-N 2.89Å; G240-S242 PolarHBondContact O-N 3.07Å; G240-Q243 WeakPolarHBondContact O-CB 3.36Å; G240-Q243 PolarHBondContact O-N 2.77Å
241I83.9Confident79.9Confident0 Ų031.7 Ų31.70%018%0.184CC..Hα-helixtrans-61.3-32.1-179-66.3-169.3000112L211 L215 L234 A235 I238 P239 Q243 V244 L245L211-I241 HydrophobicContact CB-CD1 4.05Å; L211-I241 HydrophobicContact CD1-CG2 4.22Å; L215-I241 HydrophobicContact CD2-CG1 3.83Å; L215-I241 HydrophobicContact CG-CG1 4.42Å; L234-I241 HydrophobicContact CB-CD1 4.32Å; A235-I241 HydrophobicContact CB-CG2 4.18Å; I238-I241 HydrophobicContact CB-CD1 3.64Å; I238-I241 HydrophobicContact CB-CG1 3.99Å; I238-I241 HydrophobicContact CD1-CD1 3.68Å; I238-I241 HydrophobicContact CG1-CD1 4.21Å; I238-I241 HydrophobicContact CG2-CD1 3.67Å; I238-I241 HydrophobicContact CG2-CG1 3.81Å; I238-I241 PolarHBondContact O-N 3.3Å; P239-I241 PolarHBondContact O-N 2.96Å; I241-Q243 PolarHBondContact O-N 2.99Å; I241-Q243 VanDerWaalsContact O-N 3.11Å; I241-V244 PolarHBondContact O-N 3.31Å; I241-L245 HydrophobicContact CG2-CD1 3.64Å; I241-L245 HydrophobicContact CG2-CG 3.93Å; I241-L245 PolarHBondContact O-N 3.24Å
242S81.7Confident80.6Confident22 Ų2232.5 Ų32.515%0.15419%0.189CC..Hα-helixtrans-60.3-21.9177.2680000113.8G240 K398G240-S242 PolarHBondContact O-N 3.07Å; S242-K398 VanDerWaalsContact C-CE 3.44Å; S242-K398 WeakPolarHBondContact O-CE 3.34Å; S242-K398 PolarHBondContact O-NZ 3.14Å; S242-K398 VanDerWaalsContact O-NZ 3.14Å; S242-K398 WeakPolarHBondContact OG-CE 3.34Å; S242-K398 PolarHBondContact OG-NZ 3.26Å; S242-K398 VanDerWaalsContact OG-NZ 3.11Å
243Q80Confident81Confident149 Ų14934.9 Ų34.970%0.69620%0.198SC*.Hα-helixtrans-74-37.9173.3-64.7178.6-1.800111.7G240 I241 K398G240-Q243 WeakPolarHBondContact O-CB 3.36Å; G240-Q243 PolarHBondContact O-N 2.77Å; I241-Q243 PolarHBondContact O-N 2.99Å; I241-Q243 VanDerWaalsContact O-N 3.11Å; Q243-K398 VanDerWaalsContact CG-NZ 3.28Å
244V82.4Confident81.3Confident14 Ų1438 Ų389%0.08521%0.212CC..Hα-helixtrans-72.5-38.1179.5-176.70000111.3L211 L214 W224 I241L211-V244 HydrophobicContact CD2-CG1 4.03Å; L214-V244 HydrophobicContact CB-CG1 4.44Å; L214-V244 HydrophobicContact CB-CG2 4.29Å; L214-V244 HydrophobicContact CD1-CG1 4.05Å; W224-V244 HydrophobicContact CZ2-CG1 4.11Å; W224-V244 PolarHBondContact NE1-O 2.71Å; I241-V244 PolarHBondContact O-N 3.31Å
245L84.9Confident81.3Confident0 Ų038.2 Ų38.20%022%0.215CC..THydrogen-bonded Turntrans-92.19.1-175-62.5-173.4000114.5F207 L211 M232 A235 I241 G247 T248 F404F207-L245 HydrophobicContact CZ-CD2 4.5Å; L211-L245 HydrophobicContact CD1-CD1 4.03Å; L211-L245 HydrophobicContact CD2-CD1 4.42Å; L211-L245 HydrophobicContact CD2-CD2 3.67Å; L211-L245 HydrophobicContact CD2-CG 4.12Å; M232-L245 HydrophobicContact CB-CD1 4.48Å; A235-L245 HydrophobicContact CB-CD1 4.26Å; I241-L245 HydrophobicContact CG2-CD1 3.64Å; I241-L245 HydrophobicContact CG2-CG 3.93Å; I241-L245 PolarHBondContact O-N 3.24Å; L245-G247 PolarHBondContact O-N 3.18Å; L245-T248 WeakPolarHBondContact CA-OG1 3.36Å; L245-T248 HydrophobicContact CD2-CG2 4.36Å; L245-T248 VanDerWaalsContact O-CB 3.25Å; L245-T248 WeakPolarHBondContact O-CB 3.4Å; L245-T248 PolarHBondContact O-N 2.95Å; L245-T248 PolarHBondContact O-OG1 3.39Å; L245-F404 HydrophobicContact CB-CE2 4.28Å; L245-F404 HydrophobicContact CB-CZ 4.17Å
246Q84.3Confident81.5Confident77 Ų7737.8 Ų37.836%0.3621%0.212SC..THydrogen-bonded Turntrans-63.1129.3174.6179.865.924.700110.2T248 K398Q246-T248 PolarHBondContact O-N 3.02Å; Q246-K398 VanDerWaalsContact OE1-CG 3.24Å
247G84.8Confident81.8Confident13 Ų1340.8 Ų40.813%0.13422%0.217CC..THydrogen-bonded Turntrans75.13-179.800000114.9V223 L245 F249 G396V223-G247 WeakPolarHBondContact CG1-O 3.23Å; L245-G247 PolarHBondContact O-N 3.18Å; G247-F249 WeakPolarHBondContact O-CD2 3.38Å; G247-F249 WeakPolarHBondContact O-CE2 3.48Å; G247-G396 WeakPolarHBondContact CA-O 3.42Å; G247-G396 PolarHBondContact N-O 3.47Å
248T89.4Confident82.2Confident0 Ų037 Ų370%019%0.194CC..  trans-67.5142.6178.2-68.70000111.6W224 M232 L245 Q246 Q395 G396W224-T248 HydrophobicContact CB-CG2 3.71Å; W224-T248 CarbonylContact O-C 3.53Å; W224-T248 WeakPolarHBondContact O-CA 3.18Å; W224-T248 WeakPolarHBondContact O-CG2 3.36Å; M232-T248 HydrophobicContact CG-CG2 3.99Å; M232-T248 HydrophobicContact SD-CG2 3.66Å; L245-T248 WeakPolarHBondContact CA-OG1 3.36Å; L245-T248 HydrophobicContact CD2-CG2 4.36Å; L245-T248 VanDerWaalsContact O-CB 3.25Å; L245-T248 WeakPolarHBondContact O-CB 3.4Å; L245-T248 PolarHBondContact O-N 2.95Å; L245-T248 PolarHBondContact O-OG1 3.39Å; Q246-T248 PolarHBondContact O-N 3.02Å; T248-Q395 CarbonylContact O-C 3.59Å; T248-Q395 VanDerWaalsContact O-CA 3.26Å; T248-Q395 WeakPolarHBondContact O-CA 3.19Å; T248-G396 PolarHBondContact O-N 3.42Å
249F91.5Very high82.5Confident0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-105.9131.6174.7-65.1-87.5000110.9L131 F135 W137 V223 W224 V225 S226 G247 I393 F394 Q395 V409 L430 V432L131-F249 HydrophobicContact CD2-CB 4Å; L131-F249 HydrophobicContact CD2-CD1 4.35Å; L131-F249 HydrophobicContact CD2-CG 4.21Å; F135-F249 HydrophobicContact CE2-CD1 4.47Å; F135-F249 HydrophobicContact CE2-CD2 4.47Å; F135-F249 HydrophobicContact CE2-CE1 4.08Å; F135-F249 HydrophobicContact CE2-CE2 4.1Å; F135-F249 AromaticContact CE2-CZ 3.88Å; F135-F249 HydrophobicContact CE2-CZ 3.88Å; F135-F249 AromaticContact CZ-CE1 3.88Å; F135-F249 HydrophobicContact CZ-CE1 3.88Å; F135-F249 HydrophobicContact CZ-CE2 4.41Å; F135-F249 AromaticContact CZ-CZ 3.75Å; F135-F249 HydrophobicContact CZ-CZ 3.75Å; W137-F249 HydrophobicContact CH2-CD2 4.27Å; W137-F249 HydrophobicContact CH2-CE2 4.05Å; V223-F249 HydrophobicContact CG1-CD2 3.63Å; V223-F249 HydrophobicContact CG1-CE2 3.8Å; W224-F249 PolarHBondContact O-N 2.93Å; V225-F249 WeakPolarHBondContact CA-O 3.39Å; V225-F249 HydrophobicContact CG1-CB 4.24Å; V225-F249 HydrophobicContact CG2-CB 4.41Å; V225-F249 HydrophobicContact CG2-CD2 4.47Å; S226-F249 PolarHBondContact N-O 2.95Å; S226-F249 PolarHBondContact OG-O 3.43Å; G247-F249 WeakPolarHBondContact O-CD2 3.38Å; G247-F249 WeakPolarHBondContact O-CE2 3.48Å; F249-I393 HydrophobicContact CD1-CG2 3.89Å; F249-F394 CarbonylContact C-O 3.57Å; F249-F394 VanDerWaalsContact CA-O 3.31Å; F249-F394 WeakPolarHBondContact CA-O 3.37Å; F249-Q395 HydrophobicContact CD1-CB 4.25Å; F249-Q395 HydrophobicContact CD1-CG 4.24Å; F249-Q395 HydrophobicContact CE1-CB 4.13Å; F249-Q395 HydrophobicContact CE1-CG 3.94Å; F249-Q395 HydrophobicContact CZ-CG 4.15Å; F249-Q395 VanDerWaalsContact CZ-NE2 3.32Å; F249-V409 HydrophobicContact CD1-CG2 4.42Å; F249-V409 HydrophobicContact CE1-CG2 4.24Å; F249-L430 HydrophobicContact CE1-CD2 3.47Å; F249-L430 VanDerWaalsContact CE1-CD2 3.47Å; F249-L430 HydrophobicContact CZ-CD2 3.58Å; F249-V432 HydrophobicContact CE2-CG1 4.06Å; F249-V432 HydrophobicContact CZ-CG1 3.68Å
250G90.4Very high82.8Confident0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-128.4140.5168.800000111.6G228 M232 F394G228-G250 WeakPolarHBondContact O-CA 2.92Å; M232-G250 VanDerWaalsContact CE-CA 3.49Å; G250-F394 PolarHBondContact N-O 2.68Å; G250-F394 PolarHBondContact O-N 3.3Å
251L89Confident83.1Confident6 Ų634.6 Ų34.63%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-94.5128.6178.3-57.4-175.6000110.4A127 V128 L131 S226 G228 I393 I412A127-L251 HydrophobicContact CB-CD1 3.7Å; V128-L251 HydrophobicContact CB-CD1 4.44Å; V128-L251 HydrophobicContact CG2-CD1 3.68Å; V128-L251 HydrophobicContact CG2-CG 4.36Å; L131-L251 HydrophobicContact CD2-CD2 4.37Å; S226-L251 PolarHBondContact O-N 3.25Å; S226-L251 VanDerWaalsContact O-N 3.09Å; G228-L251 WeakPolarHBondContact CA-O 3.39Å; G228-L251 PolarHBondContact N-O 3.03Å; L251-I393 HydrophobicContact CD2-CB 4.37Å; L251-I393 HydrophobicContact CD2-CG1 3.85Å; L251-I393 HydrophobicContact CD2-CG2 4.32Å; L251-I412 HydrophobicContact CD1-CD1 4.16Å; L251-I412 HydrophobicContact CD2-CD1 3.92Å
252L85.1Confident83Confident22 Ų2238.3 Ų38.312%0.11520%0.198CC..EExtended strand (participates in β ladder)trans-113.9131.8171-163.865.4000108.5T229 I324 F391 D392 F394T229-L252 HydrophobicContact CG2-CB 4.15Å; T229-L252 HydrophobicContact CG2-CD1 4.47Å; L252-I324 HydrophobicContact CD1-CD1 3.63Å; L252-I324 HydrophobicContact CD2-CD1 4.17Å; L252-I324 HydrophobicContact CG-CD1 3.97Å; L252-F391 CarbonylContact O-C 3.52Å; L252-F391 WeakPolarHBondContact O-CA 3.02Å; L252-D392 PolarHBondContact N-O 3.29Å; L252-D392 PolarHBondContact O-N 3.41Å; L252-F394 HydrophobicContact CB-CD2 4.01Å; L252-F394 HydrophobicContact CB-CE2 3.84Å; L252-F394 HydrophobicContact CD2-CE2 3.92Å; L252-F394 HydrophobicContact CD2-CZ 4.48Å
253Y80.9Confident83.1Confident50 Ų5042.5 Ų42.520%0.19622%0.215CC..EExtended strand (participates in β ladder)trans-66.9140.1173.357.1-89000109.7S255 I324Y253-S255 PolarHBondContact O-N 3.43Å; Y253-I324 HydrophobicContact CE1-CD1 4.19Å; Y253-I324 HydrophobicContact CE2-CD1 4.11Å; Y253-I324 HydrophobicContact CE2-CG2 3.92Å; Y253-I324 VanDerWaalsContact OH-CG2 3.27Å; Y253-I324 WeakPolarHBondContact OH-CG2 3.32Å
254H78.3Confident83.4Confident68 Ų6837.1 Ų37.132%0.31519%0.189SC..  trans-72.3100.5179.5-162.573.8000108.3T389 K390 D392H254-T389 PolarHBondContact O-OG1 3.13Å; H254-K390 HydrophobicContact CB-CB 4.12Å; H254-K390 VanDerWaalsContact CB-O 3.26Å; H254-K390 WeakPolarHBondContact CB-O 3.34Å; H254-K390 PolarHBondContact N-O 3.48Å; H254-D392 IonicContact CE1-OD2 3.91Å; H254-D392 IonicContact CG-OD2 3.34Å; H254-D392 IonicContact ND1-OD1 2.8Å; H254-D392 IonicContact ND1-OD2 2.89Å; H254-D392 PolarHBondContact ND1-OD2 3.23Å
255S74.3Confident83.5Confident24 Ų2437.4 Ų37.417%0.16819%0.19CC..  trans-106.1148.7-175.6178.30000111.2Y253 I377Y253-S255 PolarHBondContact O-N 3.43Å; S255-I377 VanDerWaalsContact C-CD1 3.41Å; S255-I377 VanDerWaalsContact O-CD1 3.29Å; S255-I377 WeakPolarHBondContact O-CD1 3.26Å
256S74.5Confident83.4Confident1 Ų138.3 Ų38.31%0.00720%0.198CC..  trans-67.6144.8170-1760000111.1T373 D375S256-T373 WeakPolarHBondContact OG-CB 3.49Å; S256-T373 PolarHBondContact OG-OG1 3.11Å; S256-D375 WeakPolarHBondContact CA-OD2 3.31Å; S256-D375 VanDerWaalsContact OG-CG 3.28Å; S256-D375 PolarHBondContact OG-OD1 3.15Å; S256-D375 PolarHBondContact OG-OD2 3.4Å
257R77.6Confident83.5Confident148 Ų14839.9 Ų39.956%0.55821%0.205SC*.  trans-100129.9172.5-61.6-178.2-175.2167.35.6109I259 D375R257-I259 PolarHBondContact O-N 3.01Å; R257-D375 PolarHBondContact N-OD2 2.72Å
258A80Confident83.4Confident4 Ų439.7 Ų39.73%0.03320%0.201CC..  trans-74.296.7172.500000109F12 G260 F261 D325 Y328F12-A258 HydrophobicContact CD1-CB 4.08Å; F12-A258 HydrophobicContact CE1-CB 3.87Å; A258-G260 PolarHBondContact O-N 3.44Å; A258-F261 HydrophobicContact CB-CB 3.71Å; A258-F261 HydrophobicContact CB-CG 4.41Å; A258-F261 VanDerWaalsContact O-CB 3.29Å; A258-F261 WeakPolarHBondContact O-CB 3.43Å; A258-F261 PolarHBondContact O-N 3.43Å; A258-F261 VanDerWaalsContact O-N 3.11Å; A258-D325 HydrophobicContact CB-CB 3.79Å; A258-D325 WeakPolarHBondContact CB-OD2 3.06Å; A258-D325 PolarHBondContact N-OD2 3.44Å; A258-Y328 HydrophobicContact CB-CD1 4.34Å; A258-Y328 HydrophobicContact CB-CD2 3.56Å; A258-Y328 HydrophobicContact CB-CE2 3.83Å; A258-Y328 HydrophobicContact CB-CG 3.84Å
259I82.9Confident83.3Confident100 Ų10042.4 Ų42.451%0.51321%0.211SC..THydrogen-bonded Turntrans-61.3126.3178.8-56.6175.8000108.4F12 R257 L374 D375F12-I259 WeakPolarHBondContact CZ-O 3.4Å; R257-I259 PolarHBondContact O-N 3.01Å; I259-L374 HydrophobicContact CD1-CB 4.04Å; I259-D375 HydrophobicContact CD1-CB 4.41Å
260G84.6Confident83.1Confident27 Ų2743 Ų4328%0.27822%0.215SC..THydrogen-bonded Turntrans90.9-7.9-177.500000115.1A258 E263 F264A258-G260 PolarHBondContact O-N 3.44Å; G260-E263 VanDerWaalsContact C-OE2 3.24Å; G260-E263 WeakPolarHBondContact CA-OE2 3.44Å; G260-E263 PolarHBondContact O-N 3.46Å; G260-F264 PolarHBondContact O-N 3.37Å
261F84.4Confident82.9Confident2 Ų247.4 Ų47.41%0.00925%0.246CC..Hα-helixtrans-66.1-40.5179.7-179.2-122.3000114.3R5 Q8 S9 F12 A258 E263 F264 L265 D325R5-F261 HydrophobicContact CG-CE1 4.23Å; R5-F261 HydrophobicContact CG-CZ 4.2Å; Q8-F261 HydrophobicContact CB-CE2 4.24Å; Q8-F261 HydrophobicContact CB-CZ 4.35Å; S9-F261 VanDerWaalsContact CA-CE2 3.44Å; F12-F261 HydrophobicContact CB-CD2 3.78Å; F12-F261 HydrophobicContact CB-CE2 4.14Å; F12-F261 HydrophobicContact CD1-CB 4.14Å; F12-F261 HydrophobicContact CD1-CD2 4.09Å; F12-F261 HydrophobicContact CD2-CD2 4.39Å; F12-F261 HydrophobicContact CE1-CB 4.19Å; F12-F261 HydrophobicContact CG-CB 4.47Å; F12-F261 AromaticContact CG-CD2 3.81Å; F12-F261 HydrophobicContact CG-CD2 3.81Å; A258-F261 HydrophobicContact CB-CB 3.71Å; A258-F261 HydrophobicContact CB-CG 4.41Å; A258-F261 VanDerWaalsContact O-CB 3.29Å; A258-F261 WeakPolarHBondContact O-CB 3.43Å; A258-F261 PolarHBondContact O-N 3.43Å; A258-F261 VanDerWaalsContact O-N 3.11Å; F261-E263 VanDerWaalsContact C-N 3.27Å; F261-E263 PolarHBondContact O-N 3.23Å; F261-F264 HydrophobicContact CD2-CB 4.47Å; F261-F264 AromaticContact CD2-CD1 3.97Å; F261-F264 HydrophobicContact CD2-CD1 3.97Å; F261-F264 AromaticContact CE2-CD1 3.97Å; F261-F264 HydrophobicContact CE2-CD1 3.97Å; F261-F264 HydrophobicContact CE2-CE1 4.49Å; F261-F264 WeakPolarHBondContact O-CB 3.45Å; F261-F264 PolarHBondContact O-N 2.87Å; F261-L265 HydrophobicContact CD1-CD1 4.2Å; F261-L265 HydrophobicContact CD2-CG 4.25Å; F261-L265 HydrophobicContact CE1-CD1 3.64Å; F261-L265 HydrophobicContact CE1-CG 4.11Å; F261-L265 HydrophobicContact CE2-CD1 4.22Å; F261-L265 HydrophobicContact CE2-CD2 3.8Å; F261-L265 HydrophobicContact CE2-CG 3.76Å; F261-L265 HydrophobicContact CZ-CD1 3.64Å; F261-L265 HydrophobicContact CZ-CD2 3.74Å; F261-L265 HydrophobicContact CZ-CG 3.69Å; F261-L265 PolarHBondContact O-N 2.99Å; F261-D325 WeakPolarHBondContact CD1-OD1 3.25Å; F261-D325 VanDerWaalsContact CE1-OD1 3.29Å; F261-D325 WeakPolarHBondContact CE1-OD1 3.29Å
262P81.7Confident82.7Confident78 Ų7853.1 Ų53.151%0.50627%0.272SS..Hα-helixtrans-58.6-40.1173.2-24.935.6000112.5L265 A266P262-L265 PolarHBondContact O-N 3.49Å; P262-A266 WeakPolarHBondContact O-CB 3.31Å; P262-A266 PolarHBondContact O-N 2.94Å
263E84.6Confident82.4Confident109 Ų10954.3 Ų54.351%0.50928%0.281SS..Hα-helixtrans-65.9-43.9175.5-64.870.5-157.500110.5G260 F261 L265 A266 H267G260-E263 VanDerWaalsContact C-OE2 3.24Å; G260-E263 WeakPolarHBondContact CA-OE2 3.44Å; G260-E263 PolarHBondContact O-N 3.46Å; F261-E263 VanDerWaalsContact C-N 3.27Å; F261-E263 PolarHBondContact O-N 3.23Å; E263-L265 PolarHBondContact O-N 3.43Å; E263-A266 PolarHBondContact O-N 3.27Å; E263-H267 PolarHBondContact O-N 2.89Å; E263-H267 VanDerWaalsContact O-N 3.14Å; E263-H267 PolarHBondContact O-ND1 3.15Å
264F85.8Confident82.4Confident36 Ų3656.8 Ų56.816%0.15830%0.303CS..Hα-helixtrans-55.6-51.3174.3174.9-96.6000111.6Q8 V11 F12 G260 F261 A266 H267 L268Q8-F264 HydrophobicContact CB-CE1 4.41Å; V11-F264 HydrophobicContact CG1-CZ 4.21Å; F12-F264 HydrophobicContact CB-CD1 3.97Å; F12-F264 HydrophobicContact CB-CE1 4.03Å; F12-F264 HydrophobicContact CB-CG 4.28Å; F12-F264 HydrophobicContact CB-CZ 4.39Å; F12-F264 HydrophobicContact CD2-CB 3.61Å; F12-F264 HydrophobicContact CD2-CD1 4.08Å; F12-F264 AromaticContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CD2 3.75Å; F12-F264 HydrophobicContact CD2-CE2 4.42Å; F12-F264 AromaticContact CD2-CG 3.54Å; F12-F264 HydrophobicContact CD2-CG 3.54Å; F12-F264 HydrophobicContact CE2-CB 3.96Å; F12-F264 HydrophobicContact CE2-CG 4.34Å; F12-F264 HydrophobicContact CG-CD1 4.4Å; F12-F264 HydrophobicContact CG-CG 4.3Å; G260-F264 PolarHBondContact O-N 3.37Å; F261-F264 HydrophobicContact CD2-CB 4.47Å; F261-F264 AromaticContact CD2-CD1 3.97Å; F261-F264 HydrophobicContact CD2-CD1 3.97Å; F261-F264 AromaticContact CE2-CD1 3.97Å; F261-F264 HydrophobicContact CE2-CD1 3.97Å; F261-F264 HydrophobicContact CE2-CE1 4.49Å; F261-F264 WeakPolarHBondContact O-CB 3.45Å; F261-F264 PolarHBondContact O-N 2.87Å; F264-A266 VanDerWaalsContact C-N 3.3Å; F264-A266 PolarHBondContact O-N 3.3Å; F264-H267 PolarHBondContact O-N 3.47Å; F264-H267 VanDerWaalsContact O-N 3.14Å; F264-L268 HydrophobicContact CE1-CD2 4.14Å; F264-L268 HydrophobicContact CZ-CD2 4.24Å; F264-L268 PolarHBondContact O-N 3.08Å
265L83.5Confident82.6Confident20 Ų2062.5 Ų62.511%0.10533%0.33CS..Hα-helixtrans-59.4-40.6176.7-71.3-178.8000112.2R5 Q8 F261 P262 E263 H267 L268 L311R5-L265 HydrophobicContact CG-CD1 4.29Å; Q8-L265 HydrophobicContact CB-CD2 3.74Å; Q8-L265 HydrophobicContact CG-CD2 4.27Å; F261-L265 HydrophobicContact CD1-CD1 4.2Å; F261-L265 HydrophobicContact CD2-CG 4.25Å; F261-L265 HydrophobicContact CE1-CD1 3.64Å; F261-L265 HydrophobicContact CE1-CG 4.11Å; F261-L265 HydrophobicContact CE2-CD1 4.22Å; F261-L265 HydrophobicContact CE2-CD2 3.8Å; F261-L265 HydrophobicContact CE2-CG 3.76Å; F261-L265 HydrophobicContact CZ-CD1 3.64Å; F261-L265 HydrophobicContact CZ-CD2 3.74Å; F261-L265 HydrophobicContact CZ-CG 3.69Å; F261-L265 PolarHBondContact O-N 2.99Å; P262-L265 PolarHBondContact O-N 3.49Å; E263-L265 PolarHBondContact O-N 3.43Å; L265-H267 PolarHBondContact O-N 2.54Å; L265-L268 HydrophobicContact CD2-CD1 3.61Å; L265-L268 WeakPolarHBondContact O-CB 3.46Å; L265-L268 PolarHBondContact O-N 2.97Å; L265-L311 WeakPolarHBondContact O-CD1 3.35Å
266A83.7Confident83.2Confident19 Ų1962.8 Ų62.816%0.15733%0.329CS..Hα-helixtrans-66.1-23-179.600000113.7P262 E263 F264 K312P262-A266 WeakPolarHBondContact O-CB 3.31Å; P262-A266 PolarHBondContact O-N 2.94Å; E263-A266 PolarHBondContact O-N 3.27Å; F264-A266 VanDerWaalsContact C-N 3.3Å; F264-A266 PolarHBondContact O-N 3.3Å; A266-K312 HydrophobicContact CB-CG 3.96Å
267H85.4Confident83.5Confident110 Ų11069.5 Ų69.551%0.50936%0.362SS..Hα-helixtrans-94.5-6.6177.8-6994000113.7E263 F264 L265 R269 Q272E263-H267 PolarHBondContact O-N 2.89Å; E263-H267 VanDerWaalsContact O-N 3.14Å; E263-H267 PolarHBondContact O-ND1 3.15Å; F264-H267 PolarHBondContact O-N 3.47Å; F264-H267 VanDerWaalsContact O-N 3.14Å; L265-H267 PolarHBondContact O-N 2.54Å; H267-R269 PolarHBondContact O-N 3.36Å; H267-Q272 PolarHBondContact O-OE1 3.35Å
268L84.6Confident84Confident9 Ų965.3 Ų65.35%0.04735%0.348CS..  trans-55.8137.6176.6-72.7174.8000111Q8 F264 L265 W283 L311Q8-L268 HydrophobicContact CG-CD1 4.04Å; F264-L268 HydrophobicContact CE1-CD2 4.14Å; F264-L268 HydrophobicContact CZ-CD2 4.24Å; F264-L268 PolarHBondContact O-N 3.08Å; L265-L268 HydrophobicContact CD2-CD1 3.61Å; L265-L268 WeakPolarHBondContact O-CB 3.46Å; L265-L268 PolarHBondContact O-N 2.97Å; L268-W283 VanDerWaalsContact O-CH2 3.26Å; L268-W283 WeakPolarHBondContact O-CH2 3.41Å; L268-L311 HydrophobicContact CB-CD1 4.08Å
269R86.6Confident84.3Confident58 Ų5865.2 Ų65.222%0.21935%0.347CS..  trans-140135.4174.3-63.3-64.8179.3-173.81.5110.3H267 S271 Q272 T273 G307 N308 E309H267-R269 PolarHBondContact O-N 3.36Å; R269-S271 PolarHBondContact O-N 3.34Å; R269-S271 VanDerWaalsContact O-N 3.08Å; R269-Q272 HydrophobicContact CB-CB 4.25Å; R269-Q272 HydrophobicContact CB-CG 3.89Å; R269-Q272 HydrophobicContact CG-CG 4.44Å; R269-Q272 PolarHBondContact O-N 2.9Å; R269-T273 PolarHBondContact O-N 3.46Å; R269-G307 PolarHBondContact NH1-O 3.48Å; R269-N308 PolarHBondContact NH1-O 2.88Å; R269-E309 PolarHBondContact NH1-O 3.32Å
270P87.4Confident84.5Confident11 Ų1164.4 Ų64.47%0.07134%0.34CS..THydrogen-bonded Turntrans-55.2-27173.5-26.435.2000114.2I279 W283 W291P270-I279 HydrophobicContact CB-CG1 4.46Å; P270-I279 HydrophobicContact CB-CG2 4.22Å; P270-I279 HydrophobicContact CG-CD1 4.39Å; P270-I279 HydrophobicContact CG-CG1 4.18Å; P270-W283 HydrophobicContact CG-CD2 3.51Å; P270-W283 HydrophobicContact CG-CE3 3.67Å; P270-W283 HydrophobicContact CG-CG 3.97Å; P270-W283 HydrophobicContact CG-CH2 4.36Å; P270-W283 HydrophobicContact CG-CZ2 4.2Å; P270-W283 HydrophobicContact CG-CZ3 4.1Å; P270-W291 HydrophobicContact CB-CH2 3.34Å; P270-W291 HydrophobicContact CB-CZ2 4Å; P270-W291 HydrophobicContact CB-CZ3 4.05Å; P270-W291 HydrophobicContact CG-CH2 3.53Å; P270-W291 HydrophobicContact CG-CZ3 3.78Å
271S85.9Confident84.6Confident93 Ų9370.1 Ų70.165%0.6536%0.357SS*.THydrogen-bonded Turntrans-77-24.3177.353.90000114.2R269R269-S271 PolarHBondContact O-N 3.34Å; R269-S271 VanDerWaalsContact O-N 3.08Å
272Q84.5Confident84.7Confident126 Ų12671.4 Ų71.459%0.58936%0.362SS*.THydrogen-bonded Turntrans-82.2-29.4-179.3-72.4171.7-10.200112H267 R269 P274H267-Q272 PolarHBondContact O-OE1 3.35Å; R269-Q272 HydrophobicContact CB-CB 4.25Å; R269-Q272 HydrophobicContact CB-CG 3.89Å; R269-Q272 HydrophobicContact CG-CG 4.44Å; R269-Q272 PolarHBondContact O-N 2.9Å; Q272-P274 VanDerWaalsContact C-CD 3.44Å; Q272-P274 WeakPolarHBondContact O-CD 3.33Å
273T79.6Confident84.9Confident48 Ų4867.7 Ų67.729%0.29434%0.338SS..  trans-124.866.8-178.752.70000110.8R269 E275 D276 I279R269-T273 PolarHBondContact O-N 3.46Å; T273-E275 PolarHBondContact O-N 3.11Å; T273-D276 VanDerWaalsContact O-CB 3.31Å; T273-D276 WeakPolarHBondContact O-CB 3.34Å; T273-D276 PolarHBondContact O-N 3.44Å; T273-I279 WeakPolarHBondContact OG1-CD1 3.45Å
274P80.4Confident85.1Confident102 Ų10264.4 Ų64.466%0.66232%0.323SS*.THydrogen-bonded Turntrans-63.3-23-178.827.1-34.9000113.1Q272 D276Q272-P274 VanDerWaalsContact C-CD 3.44Å; Q272-P274 WeakPolarHBondContact O-CD 3.33Å; P274-D276 VanDerWaalsContact C-N 3.3Å
275E82.3Confident85Confident188 Ų18869.6 Ų69.688%0.87935%0.346SS*.THydrogen-bonded Turntrans-77.7-13.2175.8-55.8-163-16300113.2T273 M277T273-E275 PolarHBondContact O-N 3.11Å; E275-M277 PolarHBondContact O-N 3.45Å
276D86.3Confident85Confident29 Ų2970 Ų7016%0.15535%0.349CS..  trans-72.2101.5174.9-170.6-33.2000110Y4 Q8 T273 P274 F278 I279Y4-D276 WeakPolarHBondContact CE2-OD2 3.2Å; Y4-D276 PolarHBondContact OH-OD2 3.36Å; Q8-D276 PolarHBondContact NE2-OD2 3Å; T273-D276 VanDerWaalsContact O-CB 3.31Å; T273-D276 WeakPolarHBondContact O-CB 3.34Å; T273-D276 PolarHBondContact O-N 3.44Å; P274-D276 VanDerWaalsContact C-N 3.3Å; D276-F278 PolarHBondContact O-N 2.89Å; D276-F278 WeakPolarHBondContact OD1-CA 3.46Å; D276-F278 PolarHBondContact OD1-N 3.03Å; D276-I279 HydrophobicContact CB-CB 4.01Å; D276-I279 HydrophobicContact CB-CG2 4.02Å; D276-I279 WeakPolarHBondContact O-CG2 3.34Å; D276-I279 PolarHBondContact OD1-N 3.31Å
277M82.6Confident85.1Confident142 Ų14270.3 Ų70.370%0.735%0.347SS*.SBendtrans-68-13.4-178.971.3-173.8-44.400114.2E275E275-M277 PolarHBondContact O-N 3.45Å
278F86.3Confident85.1Confident60 Ų6072 Ų7226%0.26336%0.36SS..SBendtrans-103.7-21-175.4-54.1-69.8000113.1Y4 I33 N35 D276 K280 K281 F282Y4-F278 HydrophobicContact CD2-CB 3.5Å; Y4-F278 VanDerWaalsContact CD2-CB 3.5Å; Y4-F278 HydrophobicContact CD2-CG 4.34Å; Y4-F278 HydrophobicContact CE2-CB 3.61Å; I33-F278 HydrophobicContact CG2-CE2 4.21Å; N35-F278 HydrophobicContact CB-CE1 4.28Å; N35-F278 HydrophobicContact CB-CZ 4.09Å; D276-F278 PolarHBondContact O-N 2.89Å; D276-F278 WeakPolarHBondContact OD1-CA 3.46Å; D276-F278 PolarHBondContact OD1-N 3.03Å; F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 3.44Å; F278-K281 PolarHBondContact O-N 3.45Å; F278-F282 PolarHBondContact O-N 2.96Å
279I87.1Confident85.2Confident2 Ų272 Ų721%0.0136%0.36CS..Hα-helixtrans-58.5-37.1-173.4-163.4158.6000113.3Y4 P270 T273 D276 F282 W283Y4-I279 WeakPolarHBondContact OH-CA 3.35Å; Y4-I279 WeakPolarHBondContact OH-CB 3.32Å; Y4-I279 WeakPolarHBondContact OH-CG1 3.07Å; P270-I279 HydrophobicContact CB-CG1 4.46Å; P270-I279 HydrophobicContact CB-CG2 4.22Å; P270-I279 HydrophobicContact CG-CD1 4.39Å; P270-I279 HydrophobicContact CG-CG1 4.18Å; T273-I279 WeakPolarHBondContact OG1-CD1 3.45Å; D276-I279 HydrophobicContact CB-CB 4.01Å; D276-I279 HydrophobicContact CB-CG2 4.02Å; D276-I279 WeakPolarHBondContact O-CG2 3.34Å; D276-I279 PolarHBondContact OD1-N 3.31Å; I279-F282 WeakPolarHBondContact O-CB 3.25Å; I279-F282 PolarHBondContact O-N 2.96Å; I279-W283 HydrophobicContact CD1-CE3 4.46Å; I279-W283 HydrophobicContact CD1-CZ3 4.19Å; I279-W283 HydrophobicContact CG1-CE3 3.81Å; I279-W283 HydrophobicContact CG1-CZ3 4.01Å; I279-W283 WeakPolarHBondContact O-CB 3.29Å; I279-W283 PolarHBondContact O-N 2.95Å
280K88.2Confident85.3Confident84 Ų8472 Ų7237%0.36537%0.367SS..Hα-helixtrans-64.3-51179.4-65.5177-178.9169.50111.4F278 F282 W283 E284 W291 Y293F278-K280 VanDerWaalsContact C-N 3.28Å; F278-K280 PolarHBondContact O-N 3.44Å; K280-F282 VanDerWaalsContact C-N 3.28Å; K280-F282 PolarHBondContact O-N 2.89Å; K280-W283 WeakPolarHBondContact O-CA 3.38Å; K280-W283 VanDerWaalsContact O-CB 3.27Å; K280-W283 WeakPolarHBondContact O-CB 3.45Å; K280-W283 PolarHBondContact O-N 3.48Å; K280-E284 WeakPolarHBondContact O-CG 3.33Å; K280-E284 PolarHBondContact O-N 3.42Å; K280-W291 HydrophobicContact CB-CD2 4.03Å; K280-W291 HydrophobicContact CB-CE3 4.26Å; K280-W291 HydrophobicContact CB-CG 4.14Å; K280-W291 HydrophobicContact CD-CD2 4.2Å; K280-W291 HydrophobicContact CD-CG 4.14Å; K280-W291 HydrophobicContact CG-CD2 3.8Å; K280-W291 HydrophobicContact CG-CE3 4.24Å; K280-W291 HydrophobicContact CG-CG 4.14Å; K280-W291 HydrophobicContact CG-CZ2 4.25Å; K280-Y293 HydrophobicContact CD-CE1 4.48Å
281K86.3Confident85.2Confident146 Ų14673.2 Ų73.264%0.63537%0.37SS*.Hα-helixtrans-62-36.8175.5-73-171.7175.7-1780112.3F278 W283 E284 F285F278-K281 PolarHBondContact O-N 3.45Å; K281-W283 VanDerWaalsContact C-N 3.32Å; K281-E284 WeakPolarHBondContact CA-OE2 3.4Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 3.43Å; K281-F285 VanDerWaalsContact O-N 3.11Å
282F85.5Confident85.1Confident29 Ų2972.2 Ų72.213%0.12736%0.361CS..Hα-helixtrans-63.9-39173.3169.4-101.5000111.9Y4 F278 I279 K280 T286 L311Y4-F282 HydrophobicContact CD1-CB 3.73Å; Y4-F282 AromaticContact CD1-CD1 3.98Å; Y4-F282 HydrophobicContact CD1-CD1 3.98Å; Y4-F282 AromaticContact CD1-CD2 3.43Å; Y4-F282 HydrophobicContact CD1-CD2 3.43Å; Y4-F282 VanDerWaalsContact CD1-CD2 3.43Å; Y4-F282 HydrophobicContact CD1-CE1 4.48Å; Y4-F282 AromaticContact CD1-CE2 4Å; Y4-F282 HydrophobicContact CD1-CE2 4Å; Y4-F282 AromaticContact CD1-CG 3.41Å; Y4-F282 HydrophobicContact CD1-CG 3.41Å; Y4-F282 VanDerWaalsContact CD1-CG 3.41Å; Y4-F282 HydrophobicContact CD1-CZ 4.49Å; Y4-F282 HydrophobicContact CE1-CB 3.74Å; Y4-F282 AromaticContact CE1-CD1 3.52Å; Y4-F282 HydrophobicContact CE1-CD1 3.52Å; Y4-F282 AromaticContact CE1-CD2 3.89Å; Y4-F282 HydrophobicContact CE1-CD2 3.89Å; Y4-F282 HydrophobicContact CE1-CE1 4.07Å; Y4-F282 HydrophobicContact CE1-CE2 4.39Å; Y4-F282 AromaticContact CE1-CG 3.41Å; Y4-F282 HydrophobicContact CE1-CG 3.41Å; Y4-F282 VanDerWaalsContact CE1-CG 3.41Å; Y4-F282 HydrophobicContact CE1-CZ 4.47Å; Y4-F282 HydrophobicContact CG-CB 4.28Å; Y4-F282 HydrophobicContact CG-CD2 4.36Å; Y4-F282 HydrophobicContact CG-CG 4.37Å; F278-F282 PolarHBondContact O-N 2.96Å; I279-F282 WeakPolarHBondContact O-CB 3.25Å; I279-F282 PolarHBondContact O-N 2.96Å; K280-F282 VanDerWaalsContact C-N 3.28Å; K280-F282 PolarHBondContact O-N 2.89Å; F282-T286 WeakPolarHBondContact CE2-OG1 3.32Å; F282-T286 WeakPolarHBondContact CZ-OG1 3.39Å; F282-T286 VanDerWaalsContact O-CB 3.24Å; F282-T286 WeakPolarHBondContact O-CB 3.3Å; F282-T286 PolarHBondContact O-N 3.42Å; F282-T286 PolarHBondContact O-OG1 2.87Å; F282-L311 HydrophobicContact CE1-CD1 4.26Å; F282-L311 HydrophobicContact CE1-CD2 4.06Å; F282-L311 HydrophobicContact CZ-CD2 4.25Å
283W87.3Confident84.7Confident0 Ų071.1 Ų71.10%035%0.353CS..Hα-helixtrans-64.5-50.8176.2-127.9-101.4000111.6L268 P270 I279 K280 K281 F285 T286 F287 W291 E309 L311L268-W283 VanDerWaalsContact O-CH2 3.26Å; L268-W283 WeakPolarHBondContact O-CH2 3.41Å; P270-W283 HydrophobicContact CG-CD2 3.51Å; P270-W283 HydrophobicContact CG-CE3 3.67Å; P270-W283 HydrophobicContact CG-CG 3.97Å; P270-W283 HydrophobicContact CG-CH2 4.36Å; P270-W283 HydrophobicContact CG-CZ2 4.2Å; P270-W283 HydrophobicContact CG-CZ3 4.1Å; I279-W283 HydrophobicContact CD1-CE3 4.46Å; I279-W283 HydrophobicContact CD1-CZ3 4.19Å; I279-W283 HydrophobicContact CG1-CE3 3.81Å; I279-W283 HydrophobicContact CG1-CZ3 4.01Å; I279-W283 WeakPolarHBondContact O-CB 3.29Å; I279-W283 PolarHBondContact O-N 2.95Å; K280-W283 WeakPolarHBondContact O-CA 3.38Å; K280-W283 VanDerWaalsContact O-CB 3.27Å; K280-W283 WeakPolarHBondContact O-CB 3.45Å; K280-W283 PolarHBondContact O-N 3.48Å; K281-W283 VanDerWaalsContact C-N 3.32Å; W283-F285 VanDerWaalsContact C-N 3.29Å; W283-F285 PolarHBondContact O-N 3.17Å; W283-T286 PolarHBondContact O-N 3.35Å; W283-F287 AromaticContact CD1-CD2 3.53Å; W283-F287 AromaticContact CD1-CE2 3.84Å; W283-F287 HydrophobicContact CD2-CD2 4.26Å; W283-F287 AromaticContact CD2-CE2 3.95Å; W283-F287 HydrophobicContact CD2-CE2 3.95Å; W283-F287 AromaticContact CE2-CE2 3.5Å; W283-F287 AromaticContact CG-CD2 3.95Å; W283-F287 HydrophobicContact CG-CD2 3.95Å; W283-F287 HydrophobicContact CG-CE2 4.14Å; W283-F287 AromaticContact CZ2-CE2 3.86Å; W283-F287 HydrophobicContact CZ2-CE2 3.86Å; W283-F287 HydrophobicContact CZ2-CZ 4.48Å; W283-F287 AromaticContact NE1-CD2 3.6Å; W283-F287 AromaticContact NE1-CE2 3.46Å; W283-F287 WeakPolarHBondContact O-CD2 3.33Å; W283-F287 PolarHBondContact O-N 3.33Å; W283-W291 HydrophobicContact CB-CE3 4.18Å; W283-W291 HydrophobicContact CB-CZ3 3.99Å; W283-W291 AromaticContact CD1-CZ3 3.91Å; W283-W291 AromaticContact CG-CZ3 3.97Å; W283-W291 HydrophobicContact CG-CZ3 3.97Å; W283-E309 PolarHBondContact NE1-OE2 3.12Å; W283-L311 HydrophobicContact CH2-CD1 3.46Å; W283-L311 VanDerWaalsContact CH2-CD1 3.46Å; W283-L311 HydrophobicContact CH2-CD2 4.46Å; W283-L311 HydrophobicContact CH2-CG 3.86Å; W283-L311 HydrophobicContact CZ2-CD1 4.41Å; W283-L311 HydrophobicContact CZ2-CG 4.36Å; W283-L311 HydrophobicContact CZ3-CD1 3.78Å; W283-L311 HydrophobicContact CZ3-CG 4.43Å
284E87.6Confident83.7Confident40 Ų4078 Ų7819%0.18738%0.381CS..Hα-helixtrans-52.8-48.8177.8-69.7174.3145.600111K280 K281 D288 C289 W291 Y293K280-E284 WeakPolarHBondContact O-CG 3.33Å; K280-E284 PolarHBondContact O-N 3.42Å; K281-E284 WeakPolarHBondContact CA-OE2 3.4Å; E284-D288 VanDerWaalsContact O-CA 3.3Å; E284-D288 WeakPolarHBondContact O-CA 3.29Å; E284-D288 PolarHBondContact O-N 2.71Å; E284-C289 WeakPolarHBondContact CA-O 3.48Å; E284-C289 WeakPolarHBondContact CB-O 3.4Å; E284-C289 VanDerWaalsContact CG-O 3.31Å; E284-C289 WeakPolarHBondContact CG-O 3.36Å; E284-C289 PolarHBondContact O-N 2.91Å; E284-C289 VanDerWaalsContact O-N 3.15Å; E284-W291 HydrophobicContact CG-CB 3.98Å; E284-W291 WeakPolarHBondContact OE1-CB 3.1Å; E284-W291 PolarHBondContact OE1-N 3.09Å; E284-Y293 WeakPolarHBondContact OE1-CE2 3.22Å
285F83.9Confident82.5Confident146 Ų14681 Ų8164%0.6439%0.392SS*.Hα-helixtrans-68.5-41.1179.5-172.3-79.8000113.1M1 K281 W283M1-F285 HydrophobicContact CB-CE1 4.42Å; M1-F285 HydrophobicContact CE-CD1 3.31Å; M1-F285 HydrophobicContact CE-CE1 3.29Å; M1-F285 HydrophobicContact SD-CE1 4.26Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 3.43Å; K281-F285 VanDerWaalsContact O-N 3.11Å; W283-F285 VanDerWaalsContact C-N 3.29Å; W283-F285 PolarHBondContact O-N 3.17Å
286T83.1Confident81.3Confident28 Ų2874.6 Ų74.617%0.17237%0.368CS..Hα-helixtrans-70.6-35-176.7-59.90000112.8F282 W283 L311F282-T286 WeakPolarHBondContact CE2-OG1 3.32Å; F282-T286 WeakPolarHBondContact CZ-OG1 3.39Å; F282-T286 VanDerWaalsContact O-CB 3.24Å; F282-T286 WeakPolarHBondContact O-CB 3.3Å; F282-T286 PolarHBondContact O-N 3.42Å; F282-T286 PolarHBondContact O-OG1 2.87Å; W283-T286 PolarHBondContact O-N 3.35Å; T286-L311 HydrophobicContact CG2-CD2 3.82Å
287F85.8Confident79.9Confident25 Ų2579 Ų7911%0.1140%0.396CS..Hα-helixtrans-108.62.6-174.1-64.8-70.6000114.1W283 C289 E309 S310 L311 K314W283-F287 AromaticContact CD1-CD2 3.53Å; W283-F287 AromaticContact CD1-CE2 3.84Å; W283-F287 HydrophobicContact CD2-CD2 4.26Å; W283-F287 AromaticContact CD2-CE2 3.95Å; W283-F287 HydrophobicContact CD2-CE2 3.95Å; W283-F287 AromaticContact CE2-CE2 3.5Å; W283-F287 AromaticContact CG-CD2 3.95Å; W283-F287 HydrophobicContact CG-CD2 3.95Å; W283-F287 HydrophobicContact CG-CE2 4.14Å; W283-F287 AromaticContact CZ2-CE2 3.86Å; W283-F287 HydrophobicContact CZ2-CE2 3.86Å; W283-F287 HydrophobicContact CZ2-CZ 4.48Å; W283-F287 AromaticContact NE1-CD2 3.6Å; W283-F287 AromaticContact NE1-CE2 3.46Å; W283-F287 WeakPolarHBondContact O-CD2 3.33Å; W283-F287 PolarHBondContact O-N 3.33Å; F287-C289 VanDerWaalsContact C-N 3.27Å; F287-C289 PolarHBondContact O-N 3.4Å; F287-E309 HydrophobicContact CB-CG 4.38Å; F287-E309 HydrophobicContact CD1-CB 3.5Å; F287-E309 VanDerWaalsContact CD1-CB 3.5Å; F287-E309 HydrophobicContact CD1-CG 3.88Å; F287-E309 HydrophobicContact CD2-CB 3.83Å; F287-E309 HydrophobicContact CD2-CG 4.19Å; F287-E309 HydrophobicContact CE1-CB 3.29Å; F287-E309 HydrophobicContact CE1-CG 4.2Å; F287-E309 HydrophobicContact CE2-CB 3.64Å; F287-E309 HydrophobicContact CE2-CG 4.48Å; F287-E309 HydrophobicContact CG-CB 3.77Å; F287-E309 HydrophobicContact CG-CG 3.88Å; F287-E309 HydrophobicContact CZ-CB 3.36Å; F287-E309 HydrophobicContact CZ-CG 4.48Å; F287-S310 WeakPolarHBondContact CE1-O 3.46Å; F287-L311 HydrophobicContact CE2-CD2 3.83Å; F287-L311 HydrophobicContact CE2-CG 4.43Å; F287-L311 HydrophobicContact CZ-CD2 3.65Å; F287-L311 HydrophobicContact CZ-CG 4.11Å; F287-K314 HydrophobicContact CE1-CG 4.44Å
288D85.9Confident78.7Confident147 Ų14778.2 Ų78.279%0.78640%0.399SS*.THydrogen-bonded Turntrans51.548.8-177.9-15827.5000111.5E284E284-D288 VanDerWaalsContact O-CA 3.3Å; E284-D288 WeakPolarHBondContact O-CA 3.29Å; E284-D288 PolarHBondContact O-N 2.71Å
289C87.8Confident77.4Confident8 Ų879.5 Ų79.55%0.05441%0.412CS..  trans-131.8165-177.262.50000110.6E284 F287 Q303 C305E284-C289 WeakPolarHBondContact CA-O 3.48Å; E284-C289 WeakPolarHBondContact CB-O 3.4Å; E284-C289 VanDerWaalsContact CG-O 3.31Å; E284-C289 WeakPolarHBondContact CG-O 3.36Å; E284-C289 PolarHBondContact O-N 2.91Å; E284-C289 VanDerWaalsContact O-N 3.15Å; F287-C289 VanDerWaalsContact C-N 3.27Å; F287-C289 PolarHBondContact O-N 3.4Å; C289-Q303 CarbonylContact C-O 3.55Å; C289-Q303 VanDerWaalsContact CA-O 3.27Å; C289-Q303 WeakPolarHBondContact CA-O 3.06Å; C289-Q303 HydrophobicContact CB-CG 4.36Å; C289-Q303 WeakPolarHBondContact CB-O 3.48Å; C289-C305 HydrophobicContact CB-CB 4.09Å; C289-C305 WeakPolarHBondContact CB-SG 3.12Å; C289-C305 WeakPolarHBondContact SG-CA 3.43Å; C289-C305 WeakPolarHBondContact SG-CB 3.26Å; C289-C305 CovalentContact SG-SG 2.03Å; C289-C305 PolarHBondContact SG-SG 3.04Å
290T87.6Confident75.9Confident59 Ų5989 Ų8936%0.36246%0.456SS..BIsolated β-bridgetrans-107.6133.1176.5-55.50000110V302 Q303 F304 C305T290-V302 HydrophobicContact CG2-CG1 4.5Å; T290-V302 WeakPolarHBondContact OG1-CG1 3.43Å; T290-Q303 PolarHBondContact N-O 3.03Å; T290-F304 CarbonylContact O-C 3.53Å; T290-F304 VanDerWaalsContact O-CA 3.32Å; T290-F304 WeakPolarHBondContact O-CA 3.31Å; T290-C305 VanDerWaalsContact C-SG 3.59Å; T290-C305 PolarHBondContact O-N 3.02Å
291W86.5Confident74.9Confident36 Ų3689 Ų8914%0.13648%0.481CS..  trans-72136.1176-159.8-87.9000109.6P270 K280 W283 E284 Y293 C305P270-W291 HydrophobicContact CB-CH2 3.34Å; P270-W291 HydrophobicContact CB-CZ2 4Å; P270-W291 HydrophobicContact CB-CZ3 4.05Å; P270-W291 HydrophobicContact CG-CH2 3.53Å; P270-W291 HydrophobicContact CG-CZ3 3.78Å; K280-W291 HydrophobicContact CB-CD2 4.03Å; K280-W291 HydrophobicContact CB-CE3 4.26Å; K280-W291 HydrophobicContact CB-CG 4.14Å; K280-W291 HydrophobicContact CD-CD2 4.2Å; K280-W291 HydrophobicContact CD-CG 4.14Å; K280-W291 HydrophobicContact CG-CD2 3.8Å; K280-W291 HydrophobicContact CG-CE3 4.24Å; K280-W291 HydrophobicContact CG-CG 4.14Å; K280-W291 HydrophobicContact CG-CZ2 4.25Å; W283-W291 HydrophobicContact CB-CE3 4.18Å; W283-W291 HydrophobicContact CB-CZ3 3.99Å; W283-W291 AromaticContact CD1-CZ3 3.91Å; W283-W291 AromaticContact CG-CZ3 3.97Å; W283-W291 HydrophobicContact CG-CZ3 3.97Å; E284-W291 HydrophobicContact CG-CB 3.98Å; E284-W291 WeakPolarHBondContact OE1-CB 3.1Å; E284-W291 PolarHBondContact OE1-N 3.09Å; W291-Y293 HydrophobicContact CB-CD2 4.35Å; W291-Y293 HydrophobicContact CB-CE2 3.77Å; W291-Y293 WeakPolarHBondContact O-CD2 3.13Å; W291-Y293 PolarHBondContact O-N 3.1Å; W291-C305 HydrophobicContact CE3-CB 3.64Å; W291-C305 HydrophobicContact CZ3-CB 3.94Å
292P81.7Confident74.4Confident71 Ų7184.9 Ų84.946%0.46147%0.467SS..  trans-72.689.9177.628.2-33000110.2F304P292-F304 HydrophobicContact CB-CD1 4.19Å
293Y76.3Confident74.3Confident103 Ų10389.6 Ų89.640%0.40449%0.49SS..  trans-76.5148.1167.5-61.1-79.3000109.8K280 E284 W291 N295 S296K280-Y293 HydrophobicContact CD-CE1 4.48Å; E284-Y293 WeakPolarHBondContact OE1-CE2 3.22Å; W291-Y293 HydrophobicContact CB-CD2 4.35Å; W291-Y293 HydrophobicContact CB-CE2 3.77Å; W291-Y293 WeakPolarHBondContact O-CD2 3.13Å; W291-Y293 PolarHBondContact O-N 3.1Å; Y293-N295 PolarHBondContact O-N 3.34Å; Y293-S296 PolarHBondContact O-N 3.4Å; Y293-S296 PolarHBondContact O-OG 3.46Å
294Q58.5Low74.3Confident193 Ų19393.4 Ų93.490%0.90251%0.507SS*.THydrogen-bonded Turntrans-58.8123.3175.5-73176.6-17.400108.8
295N55.8Low74.3Confident165 Ų16591.8 Ų91.888%0.88250%0.5SS*.THydrogen-bonded Turntrans84.725-175.6-54.6-23.6000118.3Y293 T297Y293-N295 PolarHBondContact O-N 3.34Å; N295-T297 PolarHBondContact O-N 2.88Å
296S56.8Low74.4Confident53 Ų5389.8 Ų89.837%0.37150%0.499SS..  trans-75.1106.3164.9-56.60000110.8Y293 V298Y293-S296 PolarHBondContact O-N 3.4Å; Y293-S296 PolarHBondContact O-OG 3.46Å; S296-V298 PolarHBondContact O-N 3.1Å
297T57.9Low74.5Confident122 Ų12288.8 Ų88.875%0.74849%0.494SS*.  trans-63.1130.6169.646.50000109.7N295 T299N295-T297 PolarHBondContact O-N 2.88Å; T297-T299 PolarHBondContact O-N 3Å
298V56.5Low74.5Confident125 Ų12593.2 Ų93.276%0.75852%0.519SS*.  trans-64.497178.1-176.40000109.1S296S296-V298 PolarHBondContact O-N 3.1Å
299T58.5Low74.6Confident87 Ų8787.8 Ų87.853%0.53449%0.489SS..  trans-85.2130.2162.8400000108.6T297 G301 V302T297-T299 PolarHBondContact O-N 3Å; T299-G301 PolarHBondContact O-N 3.42Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.16Å
300E56.5Low74.4Confident201 Ų20190.2 Ų90.294%0.93951%0.506SS*.THydrogen-bonded Turntrans-54.4127.4176-73.1-177.5154.900110.6
301G67.1Low74.1Confident86 Ų8687.9 Ų87.989%0.88749%0.492SS*.THydrogen-bonded Turntrans105.1-1.5176.400000116.8T299T299-G301 PolarHBondContact O-N 3.42Å
302V74.8Confident73.5Confident58 Ų5892 Ų9235%0.35251%0.51SS..PPolyproline II helixtrans-92120178.2-178.20000111.5T290 T299T290-V302 HydrophobicContact CG2-CG1 4.5Å; T290-V302 WeakPolarHBondContact OG1-CG1 3.43Å; T299-V302 WeakPolarHBondContact OG1-CG2 3.16Å
303Q84.6Confident72.8Confident129 Ų12996.6 Ų96.660%0.60353%0.531SS*.PPolyproline II helixtrans-81.8122.9172.2-177.9175.1-22.100110.3C289 T290C289-Q303 CarbonylContact C-O 3.55Å; C289-Q303 VanDerWaalsContact CA-O 3.27Å; C289-Q303 WeakPolarHBondContact CA-O 3.06Å; C289-Q303 HydrophobicContact CB-CG 4.36Å; C289-Q303 WeakPolarHBondContact CB-O 3.48Å; T290-Q303 PolarHBondContact N-O 3.03Å
304F87.1Confident72.3Confident80 Ų8095.9 Ų95.935%0.35153%0.53SS..BIsolated β-bridgetrans-85144.1176.8-70.7-73.4000112.4T290 P292T290-F304 CarbonylContact O-C 3.53Å; T290-F304 VanDerWaalsContact O-CA 3.32Å; T290-F304 WeakPolarHBondContact O-CA 3.31Å; P292-F304 HydrophobicContact CB-CD1 4.19Å
305C87.9Confident72.3Confident6 Ų692.4 Ų92.44%0.04152%0.524CS..PPolyproline II helixtrans-75.3133170.3-52.30000110.7C289 T290 W291C289-C305 HydrophobicContact CB-CB 4.09Å; C289-C305 WeakPolarHBondContact CB-SG 3.12Å; C289-C305 WeakPolarHBondContact SG-CA 3.43Å; C289-C305 WeakPolarHBondContact SG-CB 3.26Å; C289-C305 CovalentContact SG-SG 2.03Å; C289-C305 PolarHBondContact SG-SG 3.04Å; T290-C305 VanDerWaalsContact C-SG 3.59Å; T290-C305 PolarHBondContact O-N 3.02Å; W291-C305 HydrophobicContact CE3-CB 3.64Å; W291-C305 HydrophobicContact CZ3-CB 3.94Å
306T86.6Confident72.2Confident104 Ų10488.2 Ų88.264%0.63850%0.499SS*.  trans-90.3-24.5175.264.90000112.9N308 E309T306-N308 PolarHBondContact O-N 3.31Å; T306-N308 PolarHBondContact OG1-N 3.49Å; T306-E309 WeakPolarHBondContact CB-OE1 3.25Å; T306-E309 PolarHBondContact N-OE1 2.93Å; T306-E309 PolarHBondContact OG1-OE1 3.39Å; T306-E309 PolarHBondContact OG1-OE2 2.85Å
307G84.6Confident71.7Confident6 Ų689.3 Ų89.36%0.06251%0.505CS..SBendtrans82.5-8.4-172.400000114R269 E309R269-G307 PolarHBondContact NH1-O 3.48Å; G307-E309 VanDerWaalsContact CA-OE2 3.3Å; G307-E309 WeakPolarHBondContact CA-OE2 3.35Å; G307-E309 PolarHBondContact N-OE2 2.9Å
308N85.9Confident71.2Confident118 Ų11886.4 Ų86.463%0.63148%0.482SS*.  trans-102.41.9179.7-81.6-9.5000113.5R269 T306R269-N308 PolarHBondContact NH1-O 2.88Å; T306-N308 PolarHBondContact O-N 3.31Å; T306-N308 PolarHBondContact OG1-N 3.49Å
309E86.8Confident70.8Confident33 Ų3384.3 Ų84.315%0.15447%0.471CS..  trans-56.9142.4175.5-59.378.7-171.300111.3R269 W283 F287 T306 G307R269-E309 PolarHBondContact NH1-O 3.32Å; W283-E309 PolarHBondContact NE1-OE2 3.12Å; F287-E309 HydrophobicContact CB-CG 4.38Å; F287-E309 HydrophobicContact CD1-CB 3.5Å; F287-E309 VanDerWaalsContact CD1-CB 3.5Å; F287-E309 HydrophobicContact CD1-CG 3.88Å; F287-E309 HydrophobicContact CD2-CB 3.83Å; F287-E309 HydrophobicContact CD2-CG 4.19Å; F287-E309 HydrophobicContact CE1-CB 3.29Å; F287-E309 HydrophobicContact CE1-CG 4.2Å; F287-E309 HydrophobicContact CE2-CB 3.64Å; F287-E309 HydrophobicContact CE2-CG 4.48Å; F287-E309 HydrophobicContact CG-CB 3.77Å; F287-E309 HydrophobicContact CG-CG 3.88Å; F287-E309 HydrophobicContact CZ-CB 3.36Å; F287-E309 HydrophobicContact CZ-CG 4.48Å; T306-E309 WeakPolarHBondContact CB-OE1 3.25Å; T306-E309 PolarHBondContact N-OE1 2.93Å; T306-E309 PolarHBondContact OG1-OE1 3.39Å; T306-E309 PolarHBondContact OG1-OE2 2.85Å; G307-E309 VanDerWaalsContact CA-OE2 3.3Å; G307-E309 WeakPolarHBondContact CA-OE2 3.35Å; G307-E309 PolarHBondContact N-OE2 2.9Å
310S84.9Confident70.2Confident59 Ų5983.8 Ų83.841%0.41346%0.463SS..  trans-84.5122.9-175.9177.60000111.5F287 K312F287-S310 WeakPolarHBondContact CE1-O 3.46Å; S310-K312 VanDerWaalsContact C-N 3.27Å; S310-K312 WeakPolarHBondContact OG-CB 3.27Å; S310-K312 PolarHBondContact OG-N 3.22Å; S310-K312 VanDerWaalsContact OG-N 3.1Å
311L80.4Confident69.7Low11 Ų1175.2 Ų75.26%0.05842%0.424CS..  trans-76.3-14.5166.3-69.2173.5000112.5L265 L268 F282 W283 T286 F287 N313 K314L265-L311 WeakPolarHBondContact O-CD1 3.35Å; L268-L311 HydrophobicContact CB-CD1 4.08Å; F282-L311 HydrophobicContact CE1-CD1 4.26Å; F282-L311 HydrophobicContact CE1-CD2 4.06Å; F282-L311 HydrophobicContact CZ-CD2 4.25Å; W283-L311 HydrophobicContact CH2-CD1 3.46Å; W283-L311 VanDerWaalsContact CH2-CD1 3.46Å; W283-L311 HydrophobicContact CH2-CD2 4.46Å; W283-L311 HydrophobicContact CH2-CG 3.86Å; W283-L311 HydrophobicContact CZ2-CD1 4.41Å; W283-L311 HydrophobicContact CZ2-CG 4.36Å; W283-L311 HydrophobicContact CZ3-CD1 3.78Å; W283-L311 HydrophobicContact CZ3-CG 4.43Å; T286-L311 HydrophobicContact CG2-CD2 3.82Å; F287-L311 HydrophobicContact CE2-CD2 3.83Å; F287-L311 HydrophobicContact CE2-CG 4.43Å; F287-L311 HydrophobicContact CZ-CD2 3.65Å; F287-L311 HydrophobicContact CZ-CG 4.11Å; L311-N313 PolarHBondContact O-N 2.76Å; L311-K314 PolarHBondContact O-N 3.43Å
312K74.8Confident68.8Low121 Ų12171.8 Ų71.853%0.52639%0.387SS..THydrogen-bonded Turntrans-61.3132.1176.5-63.5179.9177.3-177.10110.5A266 S310 K314A266-K312 HydrophobicContact CB-CG 3.96Å; S310-K312 VanDerWaalsContact C-N 3.27Å; S310-K312 WeakPolarHBondContact OG-CB 3.27Å; S310-K312 PolarHBondContact OG-N 3.22Å; S310-K312 VanDerWaalsContact OG-N 3.1Å; K312-K314 PolarHBondContact O-N 3.09Å
313N66.6Low67.6Low168 Ų16873.8 Ų73.890%0.89839%0.39SS*.THydrogen-bonded Turntrans62.513.5176.8-55.4-23.6000115.9L311L311-N313 PolarHBondContact O-N 2.76Å
314K66.6Low66.3Low88 Ų8868.5 Ų68.538%0.38337%0.366SS..  trans-69.2127170.5-79.2-71.5-173.4172.20109.2F287 L311 K312 H316F287-K314 HydrophobicContact CE1-CG 4.44Å; L311-K314 PolarHBondContact O-N 3.43Å; K312-K314 PolarHBondContact O-N 3.09Å; K314-H316 PolarHBondContact O-N 3.15Å
315P56.9Low65.3Low121 Ų12165.2 Ų65.279%0.78635%0.352SS*.  trans-65.3108.617925.3-31.4000108.5
316H55Low64.4Low77 Ų7765.4 Ų65.436%0.35635%0.354SS..  trans-76.1136.7167.9-62.1-56.7000108.5K314 F318K314-H316 PolarHBondContact O-N 3.15Å; H316-F318 PolarHBondContact O-N 3.38Å
317P44.7Very low64.4Low76 Ų7660.5 Ų60.549%0.49432%0.324SS..SBendtrans-53.9130.4168.8-21.731.3000109.7
318F48.1Very low64.6Low60 Ų6060.3 Ų60.326%0.26332%0.322SS..  trans64.860.7169.8-42.5-61.1000115.9L230 A233 T237 H316 E320 V321 S322L230-F318 HydrophobicContact CD1-CD2 4.18Å; L230-F318 HydrophobicContact CD1-CG 4.38Å; A233-F318 HydrophobicContact CB-CD1 3.26Å; A233-F318 HydrophobicContact CB-CE1 3.64Å; A233-F318 HydrophobicContact CB-CG 4.15Å; T237-F318 HydrophobicContact CG2-CE1 4.06Å; H316-F318 PolarHBondContact O-N 3.38Å; F318-E320 PolarHBondContact O-N 3.12Å; F318-V321 HydrophobicContact CB-CB 4.2Å; F318-V321 HydrophobicContact CB-CG2 4.4Å; F318-V321 PolarHBondContact O-N 3.34Å; F318-V321 VanDerWaalsContact O-N 3.12Å; F318-S322 WeakPolarHBondContact O-CB 3.09Å; F318-S322 PolarHBondContact O-N 3.04Å
319P48.9Very low64.8Low82 Ų8255 Ų5553%0.53229%0.293SS..THydrogen-bonded Turntrans-57-23.5-174.721.9-33000115.4K323P319-K323 WeakPolarHBondContact O-CE 3.4Å; P319-K323 WeakPolarHBondContact O-CG 3.27Å
320E44.3Very low65.1Low76 Ų7653.4 Ų53.436%0.35529%0.286SS..THydrogen-bonded Turntrans-83.6-38177.3-72.1168.516300113.4F318 L406F318-E320 PolarHBondContact O-N 3.12Å; E320-L406 WeakPolarHBondContact OE2-CB 3.28Å
321V47Very low65.5Low20 Ų2050.8 Ų50.812%0.12127%0.268CS..G310 helixtrans-78.1-29.4174.1-171.80000111.2L230 F318 K323 I324L230-V321 HydrophobicContact CD1-CB 4.42Å; L230-V321 HydrophobicContact CD1-CG1 4.01Å; L230-V321 HydrophobicContact CD1-CG2 4.39Å; F318-V321 HydrophobicContact CB-CB 4.2Å; F318-V321 HydrophobicContact CB-CG2 4.4Å; F318-V321 PolarHBondContact O-N 3.34Å; F318-V321 VanDerWaalsContact O-N 3.12Å; V321-K323 PolarHBondContact O-N 2.95Å; V321-K323 VanDerWaalsContact O-N 3.15Å; V321-I324 PolarHBondContact O-N 2.76Å
322S47.3Very low66.2Low15 Ų1551.4 Ų51.411%0.10527%0.269CS..G310 helixtrans-56.5-16.5170.21480000114.4R5 F318 I324R5-S322 VanDerWaalsContact CZ-O 3.31Å; R5-S322 PolarHBondContact NH1-O 2.05Å; R5-S322 PolarHBondContact NH1-OG 3.32Å; R5-S322 PolarHBondContact NH2-O 3.44Å; R5-S322 PolarHBondContact NH2-OG 3.49Å; F318-S322 WeakPolarHBondContact O-CB 3.09Å; F318-S322 PolarHBondContact O-N 3.04Å; S322-I324 VanDerWaalsContact C-N 3.25Å; S322-I324 PolarHBondContact O-N 2.83Å
323K49.8Very low67.1Low99 Ų9945.7 Ų45.743%0.4324%0.244SC..G310 helixtrans-81.2-2.3-177.8-72.2169.3-174.4175.60114P319 V321P319-K323 WeakPolarHBondContact O-CE 3.4Å; P319-K323 WeakPolarHBondContact O-CG 3.27Å; V321-K323 PolarHBondContact O-N 2.95Å; V321-K323 VanDerWaalsContact O-N 3.15Å
324I57.3Low68.5Low18 Ų1838.5 Ų38.59%0.09221%0.206CC..  trans-91.7105.2176.9-60.9-179.9000108.6L252 Y253 V321 S322 A326L252-I324 HydrophobicContact CD1-CD1 3.63Å; L252-I324 HydrophobicContact CD2-CD1 4.17Å; L252-I324 HydrophobicContact CG-CD1 3.97Å; Y253-I324 HydrophobicContact CE1-CD1 4.19Å; Y253-I324 HydrophobicContact CE2-CD1 4.11Å; Y253-I324 HydrophobicContact CE2-CG2 3.92Å; Y253-I324 VanDerWaalsContact OH-CG2 3.27Å; Y253-I324 WeakPolarHBondContact OH-CG2 3.32Å; V321-I324 PolarHBondContact O-N 2.76Å; S322-I324 VanDerWaalsContact C-N 3.25Å; S322-I324 PolarHBondContact O-N 2.83Å; I324-A326 VanDerWaalsContact C-N 3.26Å; I324-A326 HydrophobicContact CG2-CB 4.49Å; I324-A326 PolarHBondContact O-N 3.14Å
325D65.9Low69.8Low11 Ų1134.3 Ų34.36%0.05919%0.188CC..  trans-83.277.4175-62.7-52.1000109.2A258 F261 A327 Y328A258-D325 HydrophobicContact CB-CB 3.79Å; A258-D325 WeakPolarHBondContact CB-OD2 3.06Å; A258-D325 PolarHBondContact N-OD2 3.44Å; F261-D325 WeakPolarHBondContact CD1-OD1 3.25Å; F261-D325 VanDerWaalsContact CE1-OD1 3.29Å; F261-D325 WeakPolarHBondContact CE1-OD1 3.29Å; D325-A327 VanDerWaalsContact C-N 3.28Å; D325-A327 PolarHBondContact O-N 2.95Å; D325-A327 VanDerWaalsContact O-N 3.15Å; D325-Y328 VanDerWaalsContact O-CB 3.32Å; D325-Y328 WeakPolarHBondContact O-CB 3.03Å; D325-Y328 PolarHBondContact O-N 2.79Å
326A70.8Confident71.6Confident10 Ų1030.2 Ų30.28%0.08316%0.158CC..Hα-helixtrans-53.8-41.7-164.100000113.1Y98 I324Y98-A326 VanDerWaalsContact CB-C 3.44Å; Y98-A326 WeakPolarHBondContact CB-O 3.43Å; Y98-A326 HydrophobicContact CD2-CB 3.64Å; Y98-A326 HydrophobicContact CG-CB 4Å; I324-A326 VanDerWaalsContact C-N 3.26Å; I324-A326 HydrophobicContact CG2-CB 4.49Å; I324-A326 PolarHBondContact O-N 3.14Å
327A86.1Confident73.5Confident1 Ų126.6 Ų26.61%0.00814%0.141CC..Hα-helixtrans-79.1-25.3-179.600000114.1V6 F10 V73 Y98 D325 T329 A330 V331V6-A327 HydrophobicContact CG1-CB 3.78Å; F10-A327 HydrophobicContact CB-CB 3.9Å; V73-A327 HydrophobicContact CG1-CB 4.46Å; Y98-A327 HydrophobicContact CD1-CB 4.35Å; D325-A327 VanDerWaalsContact C-N 3.28Å; D325-A327 PolarHBondContact O-N 2.95Å; D325-A327 VanDerWaalsContact O-N 3.15Å; A327-T329 PolarHBondContact O-N 3.33Å; A327-A330 WeakPolarHBondContact O-CB 3.33Å; A327-A330 PolarHBondContact O-N 3.09Å; A327-A330 VanDerWaalsContact O-N 3.11Å; A327-V331 WeakPolarHBondContact O-CG2 3.36Å; A327-V331 PolarHBondContact O-N 2.84Å
328Y89Confident75.7Confident3 Ų323.4 Ų23.41%0.01212%0.12CC..Hα-helixtrans-56.4-51.1-173.7-177.9-94.8000112.2F12 A13 E16 A258 D325 A330 V331 Y332F12-Y328 HydrophobicContact CD1-CD2 4.1Å; F12-Y328 HydrophobicContact CD1-CE2 4.06Å; F12-Y328 HydrophobicContact CE1-CD2 4.33Å; F12-Y328 AromaticContact CE1-CE2 3.88Å; F12-Y328 HydrophobicContact CE1-CE2 3.88Å; A13-Y328 HydrophobicContact CB-CD2 3.64Å; A13-Y328 HydrophobicContact CB-CE2 4.17Å; A13-Y328 HydrophobicContact CB-CG 4.39Å; E16-Y328 WeakPolarHBondContact OE2-CE2 3.44Å; E16-Y328 VanDerWaalsContact OE2-CZ 3.29Å; E16-Y328 PolarHBondContact OE2-OH 2.85Å; A258-Y328 HydrophobicContact CB-CD1 4.34Å; A258-Y328 HydrophobicContact CB-CD2 3.56Å; A258-Y328 HydrophobicContact CB-CE2 3.83Å; A258-Y328 HydrophobicContact CB-CG 3.84Å; D325-Y328 VanDerWaalsContact O-CB 3.32Å; D325-Y328 WeakPolarHBondContact O-CB 3.03Å; D325-Y328 PolarHBondContact O-N 2.79Å; Y328-A330 VanDerWaalsContact C-N 3.28Å; Y328-A330 PolarHBondContact O-N 3.49Å; Y328-V331 PolarHBondContact O-N 3.38Å; Y328-Y332 HydrophobicContact CD1-CD2 4.02Å; Y328-Y332 HydrophobicContact CD1-CE2 4.4Å; Y328-Y332 HydrophobicContact CD2-CD2 4.16Å; Y328-Y332 HydrophobicContact CD2-CE2 4.04Å; Y328-Y332 AromaticContact CE1-CD2 3.68Å; Y328-Y332 HydrophobicContact CE1-CD2 3.68Å; Y328-Y332 AromaticContact CE1-CE2 3.74Å; Y328-Y332 HydrophobicContact CE1-CE2 3.74Å; Y328-Y332 HydrophobicContact CE1-CG 4.42Å; Y328-Y332 AromaticContact CE2-CD2 3.84Å; Y328-Y332 HydrophobicContact CE2-CD2 3.84Å; Y328-Y332 AromaticContact CE2-CE2 3.32Å; Y328-Y332 HydrophobicContact CE2-CE2 3.32Å; Y328-Y332 HydrophobicContact CG-CD2 4.25Å; Y328-Y332 AromaticContact CZ-CD2 3.58Å; Y328-Y332 AromaticContact CZ-CE2 3.13Å; Y328-Y332 AromaticContact CZ-CZ 3.81Å; Y328-Y332 PolarHBondContact O-N 3.34Å; Y328-Y332 WeakPolarHBondContact OH-CE2 2.96Å; Y328-Y332 PolarHBondContact OH-OH 2.03Å
329T90.1Very high77.8Confident5 Ų523.1 Ų23.13%0.03112%0.119CC..Hα-helixtrans-63.8-35179.8-55.60000111.7T117 A327 S333 I379T117-T329 HydrophobicContact CG2-CG2 3.85Å; A327-T329 PolarHBondContact O-N 3.33Å; T329-S333 WeakPolarHBondContact O-CB 3.23Å; T329-S333 PolarHBondContact O-N 3.42Å; T329-S333 PolarHBondContact O-OG 3.16Å; T329-I379 HydrophobicContact CG2-CD1 3.68Å; T329-I379 HydrophobicContact CG2-CG1 3.99Å; T329-I379 HydrophobicContact CG2-CG2 3.93Å
330A92.6Very high79.7Confident0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-66.3-45.4178.300000111.3V73 V96 T117 A327 Y328 S333 I334V73-A330 HydrophobicContact CG1-CB 3.86Å; V73-A330 HydrophobicContact CG2-CB 4.3Å; V96-A330 HydrophobicContact CB-CB 4.21Å; V96-A330 HydrophobicContact CG1-CB 3.61Å; T117-A330 HydrophobicContact CG2-CB 4.05Å; A327-A330 WeakPolarHBondContact O-CB 3.33Å; A327-A330 PolarHBondContact O-N 3.09Å; A327-A330 VanDerWaalsContact O-N 3.11Å; Y328-A330 VanDerWaalsContact C-N 3.28Å; Y328-A330 PolarHBondContact O-N 3.49Å; A330-S333 PolarHBondContact O-N 3.32Å; A330-I334 WeakPolarHBondContact O-CG1 3.48Å; A330-I334 PolarHBondContact O-N 3.38Å; A330-I334 VanDerWaalsContact O-N 3.12Å
331V94.4Very high81.7Confident5 Ų519.4 Ų19.43%0.0310%0.097CC..Hα-helixtrans-63.4-47.8176.8177.80000111.1F10 A13 I14 I17 V73 A327 Y328 S333 I334 A335F10-V331 HydrophobicContact CB-CG2 4.49Å; F10-V331 HydrophobicContact CD2-CG2 3.24Å; F10-V331 HydrophobicContact CE2-CG2 3.44Å; F10-V331 VanDerWaalsContact CE2-CG2 3.44Å; F10-V331 HydrophobicContact CG-CG2 3.91Å; F10-V331 HydrophobicContact CZ-CG2 4.21Å; A13-V331 HydrophobicContact CB-CB 3.86Å; A13-V331 HydrophobicContact CB-CG1 3.83Å; A13-V331 HydrophobicContact CB-CG2 4.3Å; I14-V331 HydrophobicContact CD1-CG1 3.51Å; I14-V331 HydrophobicContact CG1-CG1 4.02Å; I17-V331 HydrophobicContact CD1-CG1 3.71Å; V73-V331 HydrophobicContact CG2-CG2 4.43Å; A327-V331 WeakPolarHBondContact O-CG2 3.36Å; A327-V331 PolarHBondContact O-N 2.84Å; Y328-V331 PolarHBondContact O-N 3.38Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 2.9Å; V331-I334 PolarHBondContact O-N 3.01Å; V331-I334 VanDerWaalsContact O-N 3.14Å; V331-A335 PolarHBondContact O-N 2.9Å
332Y93.9Very high83.4Confident24 Ų2420.5 Ų20.59%0.09410%0.102CC..Hα-helixtrans-60.8-38.3176.7-96.6-91.5000112.7A13 E16 I17 L23 Y328 I334 A335 H336 F371A13-Y332 HydrophobicContact CB-CD2 4.34Å; A13-Y332 HydrophobicContact CB-CE2 4.32Å; E16-Y332 WeakPolarHBondContact OE2-CE2 3.26Å; E16-Y332 PolarHBondContact OE2-OH 2.89Å; I17-Y332 HydrophobicContact CD1-CD2 4.04Å; I17-Y332 HydrophobicContact CD1-CE2 4Å; I17-Y332 HydrophobicContact CD1-CG 4.31Å; I17-Y332 HydrophobicContact CG1-CD2 4.42Å; I17-Y332 HydrophobicContact CG1-CE1 4.06Å; I17-Y332 HydrophobicContact CG1-CE2 3.92Å; L23-Y332 HydrophobicContact CD2-CD1 4.08Å; L23-Y332 HydrophobicContact CD2-CE1 3.95Å; Y328-Y332 HydrophobicContact CD1-CD2 4.02Å; Y328-Y332 HydrophobicContact CD1-CE2 4.4Å; Y328-Y332 HydrophobicContact CD2-CD2 4.16Å; Y328-Y332 HydrophobicContact CD2-CE2 4.04Å; Y328-Y332 AromaticContact CE1-CD2 3.68Å; Y328-Y332 HydrophobicContact CE1-CD2 3.68Å; Y328-Y332 AromaticContact CE1-CE2 3.74Å; Y328-Y332 HydrophobicContact CE1-CE2 3.74Å; Y328-Y332 HydrophobicContact CE1-CG 4.42Å; Y328-Y332 AromaticContact CE2-CD2 3.84Å; Y328-Y332 HydrophobicContact CE2-CD2 3.84Å; Y328-Y332 AromaticContact CE2-CE2 3.32Å; Y328-Y332 HydrophobicContact CE2-CE2 3.32Å; Y328-Y332 HydrophobicContact CG-CD2 4.25Å; Y328-Y332 AromaticContact CZ-CD2 3.58Å; Y328-Y332 AromaticContact CZ-CE2 3.13Å; Y328-Y332 AromaticContact CZ-CZ 3.81Å; Y328-Y332 PolarHBondContact O-N 3.34Å; Y328-Y332 WeakPolarHBondContact OH-CE2 2.96Å; Y328-Y332 PolarHBondContact OH-OH 2.03Å; Y332-I334 VanDerWaalsContact C-N 3.31Å; Y332-I334 PolarHBondContact O-N 2.78Å; Y332-A335 PolarHBondContact O-N 2.82Å; Y332-H336 AromaticContact CD1-NE2 3.99Å; Y332-H336 WeakPolarHBondContact O-CB 3.08Å; Y332-H336 PolarHBondContact O-CD2 3.27Å; Y332-H336 VanDerWaalsContact O-CD2 3.24Å; Y332-H336 PolarHBondContact O-N 2.58Å; Y332-F371 HydrophobicContact CD1-CE2 4.37Å
333S94.7Very high84.8Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-61.2-42175.6-600000111.5T329 A330 V331 A337 L366T329-S333 WeakPolarHBondContact O-CB 3.23Å; T329-S333 PolarHBondContact O-N 3.42Å; T329-S333 PolarHBondContact O-OG 3.16Å; A330-S333 PolarHBondContact O-N 3.32Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 2.9Å; S333-A337 WeakPolarHBondContact O-CB 3.29Å; S333-A337 PolarHBondContact O-N 3.08Å; S333-L366 WeakPolarHBondContact O-CD1 3.47Å
334I95.1Very high85.3Confident17 Ų1721.3 Ų21.39%0.08712%0.122CC..Hα-helixtrans-65.9-44.7175.6-66.1160.4000110.8A71 V73 V96 A330 V331 Y332 A337 L338 L366A71-I334 HydrophobicContact CB-CD1 3.78Å; A71-I334 HydrophobicContact CB-CG1 4.03Å; A71-I334 HydrophobicContact CB-CG2 4.22Å; V73-I334 HydrophobicContact CG2-CD1 3.41Å; V73-I334 VanDerWaalsContact CG2-CD1 3.41Å; V96-I334 HydrophobicContact CB-CD1 4.38Å; V96-I334 HydrophobicContact CG2-CD1 4.03Å; V96-I334 HydrophobicContact CG2-CG1 3.97Å; A330-I334 WeakPolarHBondContact O-CG1 3.48Å; A330-I334 PolarHBondContact O-N 3.38Å; A330-I334 VanDerWaalsContact O-N 3.12Å; V331-I334 PolarHBondContact O-N 3.01Å; V331-I334 VanDerWaalsContact O-N 3.14Å; Y332-I334 VanDerWaalsContact C-N 3.31Å; Y332-I334 PolarHBondContact O-N 2.78Å; I334-A337 WeakPolarHBondContact O-CB 2.85Å; I334-A337 PolarHBondContact O-N 3.23Å; I334-L338 HydrophobicContact CG2-CD1 4.09Å; I334-L338 WeakPolarHBondContact O-CG 3.07Å; I334-L338 PolarHBondContact O-N 3.29Å; I334-L366 HydrophobicContact CG1-CD1 4.37Å
335A94.8Very high85.4Confident0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-64-42.5179.800000112.6I17 L23 L24 L29 V331 Y332 L338 H339I17-A335 HydrophobicContact CD1-CB 3.73Å; I17-A335 HydrophobicContact CG1-CB 4.44Å; I17-A335 HydrophobicContact CG2-CB 4.2Å; L23-A335 HydrophobicContact CD2-CB 4.07Å; L24-A335 HydrophobicContact CD1-CB 3.98Å; L29-A335 HydrophobicContact CD1-CB 4.15Å; V331-A335 PolarHBondContact O-N 2.9Å; Y332-A335 PolarHBondContact O-N 2.82Å; A335-L338 PolarHBondContact O-N 3.44Å; A335-H339 WeakPolarHBondContact O-CB 3.32Å; A335-H339 PolarHBondContact O-N 3.47Å
336H94.7Very high84.8Confident36 Ų3631 Ų3117%0.16717%0.166CC..Hα-helixtrans-65.8-36.9173.1-83.4-74.2000112.4Y332 H339 N340 V369 F371Y332-H336 AromaticContact CD1-NE2 3.99Å; Y332-H336 WeakPolarHBondContact O-CB 3.08Å; Y332-H336 PolarHBondContact O-CD2 3.27Å; Y332-H336 VanDerWaalsContact O-CD2 3.24Å; Y332-H336 PolarHBondContact O-N 2.58Å; H336-H339 PolarHBondContact O-N 3.18Å; H336-N340 WeakPolarHBondContact O-CB 3.33Å; H336-N340 PolarHBondContact O-N 3.04Å; H336-N340 PolarHBondContact O-ND2 2.9Å; H336-V369 HydrophobicContact CB-CG1 4.14Å; H336-F371 HydrophobicContact CB-CD1 4.13Å; H336-F371 HydrophobicContact CB-CG 4.46Å; H336-F371 AromaticContact CD2-CD1 3.7Å; H336-F371 AromaticContact CD2-CD2 3.38Å; H336-F371 WeakPolarHBondContact CD2-CD2 3.35Å; H336-F371 AromaticContact CD2-CE2 3.71Å; H336-F371 AromaticContact CD2-CG 3.37Å; H336-F371 WeakPolarHBondContact CD2-CG 3.33Å; H336-F371 AromaticContact CG-CD1 3.93Å; H336-F371 AromaticContact CG-CG 3.78Å; H336-F371 AromaticContact NE2-CD2 3.33Å; H336-F371 VanDerWaalsContact NE2-CD2 3.33Å; H336-F371 WeakPolarHBondContact NE2-CD2 3.41Å; H336-F371 AromaticContact NE2-CE2 3.95Å; H336-F371 AromaticContact NE2-CG 3.59Å
337A94.1Very high83.8Confident0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-61.7-47.1173.700000111.5S333 I334 N340 M341 L362 A365 L366 V369S333-A337 WeakPolarHBondContact O-CB 3.29Å; S333-A337 PolarHBondContact O-N 3.08Å; I334-A337 WeakPolarHBondContact O-CB 2.85Å; I334-A337 PolarHBondContact O-N 3.23Å; A337-N340 PolarHBondContact O-N 3.32Å; A337-M341 VanDerWaalsContact O-CB 3.27Å; A337-M341 WeakPolarHBondContact O-CB 3.17Å; A337-M341 PolarHBondContact O-N 3.13Å; A337-L362 HydrophobicContact CB-CD1 3.61Å; A337-A365 HydrophobicContact CB-CB 4.22Å; A337-L366 HydrophobicContact CB-CB 3.91Å; A337-L366 HydrophobicContact CB-CD1 3.75Å; A337-L366 HydrophobicContact CB-CG 4.44Å; A337-V369 HydrophobicContact CB-CG2 3.57Å
338L91.7Very high82Confident9 Ų946.2 Ų46.25%0.04724%0.236CC..Hα-helixtrans-60.2-45.8175.2-74.5168.1000111L24 L29 A70 I334 A335 M341 L342 F357 L362L24-L338 HydrophobicContact CD1-CB 4.42Å; L24-L338 HydrophobicContact CD2-CB 3.99Å; L29-L338 HydrophobicContact CD2-CD1 3.89Å; A70-L338 HydrophobicContact CB-CD1 4.33Å; I334-L338 HydrophobicContact CG2-CD1 4.09Å; I334-L338 WeakPolarHBondContact O-CG 3.07Å; I334-L338 PolarHBondContact O-N 3.29Å; A335-L338 PolarHBondContact O-N 3.44Å; L338-M341 HydrophobicContact CD2-CE 3.99Å; L338-M341 PolarHBondContact O-N 3.16Å; L338-L342 VanDerWaalsContact O-CG 3.26Å; L338-L342 WeakPolarHBondContact O-CG 3.36Å; L338-L342 PolarHBondContact O-N 2.65Å; L338-F357 HydrophobicContact CD2-CE1 3.99Å; L338-F357 HydrophobicContact CD2-CE2 4.32Å; L338-F357 HydrophobicContact CD2-CZ 3.79Å; L338-L362 HydrophobicContact CD2-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD2 4.14Å; L338-L362 HydrophobicContact CG-CD1 3.8Å; L338-L362 HydrophobicContact CG-CD2 4.48Å
339H91.5Very high80Confident54 Ų5458.5 Ų58.525%0.2528%0.282CS..Hα-helixtrans-62.1-47.6-179.8-176.578.6000111.9H22 L23 L24 A335 H336 M341 L342 A343H22-H339 PolarHBondContact O-CE1 3.47Å; L23-H339 HydrophobicContact CD1-CB 3.67Å; L24-H339 HydrophobicContact CD2-CB 3.81Å; L24-H339 HydrophobicContact CG-CB 4.24Å; L24-H339 PolarHBondContact N-ND1 2.8Å; A335-H339 WeakPolarHBondContact O-CB 3.32Å; A335-H339 PolarHBondContact O-N 3.47Å; H336-H339 PolarHBondContact O-N 3.18Å; H339-M341 VanDerWaalsContact C-N 3.32Å; H339-M341 PolarHBondContact O-N 2.59Å; H339-L342 PolarHBondContact O-N 3.2Å; H339-A343 VanDerWaalsContact O-CB 3.22Å; H339-A343 WeakPolarHBondContact O-CB 3.42Å; H339-A343 PolarHBondContact O-N 3.25Å
340N88.9Confident78Confident61 Ų6167 Ų6733%0.32632%0.319SS..Hα-helixtrans-64.4-38.7178.7-69.8-9.1000111.7H336 A337 A343 C344H336-N340 WeakPolarHBondContact O-CB 3.33Å; H336-N340 PolarHBondContact O-N 3.04Å; H336-N340 PolarHBondContact O-ND2 2.9Å; A337-N340 PolarHBondContact O-N 3.32Å; N340-A343 PolarHBondContact O-N 3Å; N340-C344 PolarHBondContact O-N 3.35Å; N340-C344 VanDerWaalsContact O-N 3.07Å; N340-C344 PolarHBondContact O-SG 3.45Å; N340-C344 VanDerWaalsContact O-SG 3.36Å
341M87Confident75.8Confident20 Ų2070.6 Ų70.610%0.09936%0.355CS..Hα-helixtrans-61.5-46.6175.6-174.7-178.873.900111.3A337 L338 H339 F357 Q361 L362 A365A337-M341 VanDerWaalsContact O-CB 3.27Å; A337-M341 WeakPolarHBondContact O-CB 3.17Å; A337-M341 PolarHBondContact O-N 3.13Å; L338-M341 HydrophobicContact CD2-CE 3.99Å; L338-M341 PolarHBondContact O-N 3.16Å; H339-M341 VanDerWaalsContact C-N 3.32Å; H339-M341 PolarHBondContact O-N 2.59Å; M341-F357 HydrophobicContact CE-CB 3.82Å; M341-F357 HydrophobicContact CE-CD1 3.97Å; M341-F357 HydrophobicContact CE-CD2 3.98Å; M341-F357 HydrophobicContact CE-CG 3.64Å; M341-F357 HydrophobicContact SD-CB 4.42Å; M341-Q361 HydrophobicContact SD-CB 3.86Å; M341-L362 HydrophobicContact SD-CB 4.45Å; M341-A365 HydrophobicContact CB-CB 4.1Å
342L81.9Confident73.7Confident42 Ų4272 Ų7222%0.2236%0.364CS..Hα-helixtrans-71.7-32.6179.1-64.6170.8000112.9L24 L27 L338 H339L24-L342 HydrophobicContact CD2-CD1 4.07Å; L27-L342 HydrophobicContact CD1-CD1 3.77Å; L338-L342 VanDerWaalsContact O-CG 3.26Å; L338-L342 WeakPolarHBondContact O-CG 3.36Å; L338-L342 PolarHBondContact O-N 2.65Å; H339-L342 PolarHBondContact O-N 3.2Å
343A75.8Confident72.1Confident47 Ų4776.4 Ų76.439%0.38839%0.389SS..Hα-helixtrans-73.7-39.1-179.700000113H339 N340 E345 H346H339-A343 VanDerWaalsContact O-CB 3.22Å; H339-A343 WeakPolarHBondContact O-CB 3.42Å; H339-A343 PolarHBondContact O-N 3.25Å; N340-A343 PolarHBondContact O-N 3Å; A343-E345 PolarHBondContact O-N 3.45Å; A343-H346 PolarHBondContact O-N 3.3Å; A343-H346 VanDerWaalsContact O-N 3.16Å
344C61.7Low70.4Confident85 Ų8578.5 Ų78.557%0.57440%0.403SS*.Hα-helixtrans-59.5-27.8175.4-77.60000112.6N340 Q347N340-C344 PolarHBondContact O-N 3.35Å; N340-C344 VanDerWaalsContact O-N 3.07Å; N340-C344 PolarHBondContact O-SG 3.45Å; N340-C344 VanDerWaalsContact O-SG 3.36Å; C344-Q347 PolarHBondContact O-N 2.94Å
345E59.4Low68.9Low44 Ų4483.8 Ų83.821%0.20643%0.428CS..THydrogen-bonded Turntrans-75.7-21.7179.1-67.9-175.6-177.300113.9A343 Q347 E348 T352A343-E345 PolarHBondContact O-N 3.45Å; E345-Q347 PolarHBondContact O-N 2.92Å; E345-E348 PolarHBondContact O-N 3.03Å; E345-E348 VanDerWaalsContact O-O 3.07Å; E345-T352 WeakPolarHBondContact OE1-CB 3.36Å; E345-T352 PolarHBondContact OE1-OG1 2.88Å; E345-T352 WeakPolarHBondContact OE2-CA 3.45Å; E345-T352 VanDerWaalsContact OE2-CB 3.29Å; E345-T352 WeakPolarHBondContact OE2-CB 3.33Å; E345-T352 PolarHBondContact OE2-N 3.39Å; E345-T352 VanDerWaalsContact OE2-O 3.06Å
346H52.4Low67.7Low187 Ų18789.5 Ų89.587%0.86646%0.458SS*.THydrogen-bonded Turntrans-67.4-17.2171.7-90.141.1000112.6A343A343-H346 PolarHBondContact O-N 3.3Å; A343-H346 VanDerWaalsContact O-N 3.16Å
347Q49.9Very low67Low176 Ų17689.1 Ų89.182%0.82246%0.456SS*.THydrogen-bonded Turntrans-96.3-26.2177.2-93.4171-32.200114.3C344 E345C344-Q347 PolarHBondContact O-N 2.94Å; E345-Q347 PolarHBondContact O-N 2.92Å
348E48.3Very low66.5Low156 Ų15694.8 Ų94.873%0.72948%0.482SS*.SBendtrans-119.1114.9179.1-67.5-169.8168.400111.1E345 K350E345-E348 PolarHBondContact O-N 3.03Å; E345-E348 VanDerWaalsContact O-O 3.07Å; E348-K350 PolarHBondContact O-N 2.04Å
349R46.5Very low66.4Low260 Ų26095.3 Ų95.398%0.98149%0.487SS*.SBendtrans-62.756.2-175.2-75.4178.1166.1169.1-4.2115.9
350K48.3Very low66.2Low185 Ų18599 Ų9980%0.80450%0.499SS*.  trans-138.596.4164.2-81.8-175.2177.5176.60108.6E348 T352E348-K350 PolarHBondContact O-N 2.04Å; K350-T352 PolarHBondContact O-N 3.34Å
351G46.5Very low66.3Low74 Ų7498 Ų9876%0.76349%0.492SS*.PPolyproline II helixtrans-70.2121.3-174.300000112.6
352T51.6Low66.4Low36 Ų3697.1 Ų97.122%0.22149%0.488CS..PPolyproline II helixtrans-90.1120.5153.9-42.70000105.7E345 K350 S354 N356 F357E345-T352 WeakPolarHBondContact OE1-CB 3.36Å; E345-T352 PolarHBondContact OE1-OG1 2.88Å; E345-T352 WeakPolarHBondContact OE2-CA 3.45Å; E345-T352 VanDerWaalsContact OE2-CB 3.29Å; E345-T352 WeakPolarHBondContact OE2-CB 3.33Å; E345-T352 PolarHBondContact OE2-N 3.39Å; E345-T352 VanDerWaalsContact OE2-O 3.06Å; K350-T352 PolarHBondContact O-N 3.34Å; T352-S354 PolarHBondContact O-N 2.59Å; T352-N356 WeakPolarHBondContact CG2-O 3.48Å; T352-F357 HydrophobicContact CG2-CB 4.12Å
353N58.9Low67Low115 Ų11595.8 Ų95.862%0.61548%0.481SS*.PPolyproline II helixtrans-60.6141.3174.7-83.2-13.8000108.7H355 N356N353-H355 PolarHBondContact O-N 2.72Å; N353-N356 HydrophobicContact CB-CB 4.39Å; N353-N356 PolarHBondContact O-N 2.85Å
354S59.8Low67.7Low44 Ų4498.5 Ų98.531%0.30849%0.485SS..THydrogen-bonded Turntrans-51.5-16.2174.4-178.10000114.1L27 T352L27-S354 WeakPolarHBondContact CD1-OG 3.39Å; T352-S354 PolarHBondContact O-N 2.59Å
355H63.1Low69.2Low128 Ų12895.2 Ų95.259%0.59346%0.464SS*.THydrogen-bonded Turntrans-101.9-4.7179-61.7-71000114.5P68 N353P68-H355 WeakPolarHBondContact CD-O 3.36Å; P68-H355 WeakPolarHBondContact CG-O 3.45Å; N353-H355 PolarHBondContact O-N 2.72Å
356N69.5Low70.8Confident121 Ų12193.1 Ų93.165%0.64745%0.454SS*.  trans-137.572.7-174.1-80.7-11.4000112.3T352 N353T352-N356 WeakPolarHBondContact CG2-O 3.48Å; N353-N356 HydrophobicContact CB-CB 4.39Å; N353-N356 PolarHBondContact O-N 2.85Å
357F79.8Confident72.8Confident27 Ų2788.3 Ų88.312%0.11843%0.431CS..  trans-113.6152.8169.566.1-89.4000111.3P68 A70 L338 M341 T352 L362P68-F357 HydrophobicContact CB-CE1 4.1Å; P68-F357 HydrophobicContact CB-CZ 4.45Å; P68-F357 HydrophobicContact CG-CD1 4.37Å; P68-F357 HydrophobicContact CG-CE1 3.86Å; A70-F357 HydrophobicContact CB-CZ 4.03Å; L338-F357 HydrophobicContact CD2-CE1 3.99Å; L338-F357 HydrophobicContact CD2-CE2 4.32Å; L338-F357 HydrophobicContact CD2-CZ 3.79Å; M341-F357 HydrophobicContact CE-CB 3.82Å; M341-F357 HydrophobicContact CE-CD1 3.97Å; M341-F357 HydrophobicContact CE-CD2 3.98Å; M341-F357 HydrophobicContact CE-CG 3.64Å; M341-F357 HydrophobicContact SD-CB 4.42Å; T352-F357 HydrophobicContact CG2-CB 4.12Å; F357-L362 HydrophobicContact CD2-CB 4.19Å; F357-L362 HydrophobicContact CE2-CB 3.95Å; F357-L362 HydrophobicContact CE2-CD2 3.99Å; F357-L362 HydrophobicContact CZ-CD2 4.44Å
358H84.9Confident74.8Confident119 Ų11986.7 Ų86.755%0.55142%0.421SS*.  trans-85.9146.5173.6-64-71.2000111.6W360 Q361H358-W360 VanDerWaalsContact CB-CD1 3.41Å; H358-W360 HydrophobicContact CB-CG 4.28Å; H358-W360 AromaticContact CD2-NE1 3.9Å; H358-W360 AromaticContact CG-NE1 3.63Å; H358-W360 PolarHBondContact O-N 2.94Å; H358-W360 VanDerWaalsContact O-N 3.09Å; H358-Q361 HydrophobicContact CB-CG 4.41Å; H358-Q361 WeakPolarHBondContact O-CB 3.45Å; H358-Q361 PolarHBondContact O-N 3.36Å
359S88Confident76.9Confident21 Ų2179.4 Ų79.415%0.14739%0.387CS..Hα-helixtrans-48.7-40.2178.355.90000113.6Y91 K92 Q361 L362 L363Y91-S359 PolarHBondContact O-OG 3.41Å; K92-S359 CarbonylContact O-C 3.38Å; K92-S359 WeakPolarHBondContact O-CB 3.05Å; S359-Q361 PolarHBondContact O-N 3.39Å; S359-L362 PolarHBondContact O-N 3.28Å; S359-L363 PolarHBondContact O-N 3.08Å
360W88.1Confident79.1Confident131 Ų13172.5 Ų72.550%0.49637%0.366SS..Hα-helixtrans-69.6-26.6-179.768.2-95000114.4K92 H358 L363 H364K92-W360 HydrophobicContact CB-CB 4.01Å; K92-W360 HydrophobicContact CD-CB 3.73Å; H358-W360 VanDerWaalsContact CB-CD1 3.41Å; H358-W360 HydrophobicContact CB-CG 4.28Å; H358-W360 AromaticContact CD2-NE1 3.9Å; H358-W360 AromaticContact CG-NE1 3.63Å; H358-W360 PolarHBondContact O-N 2.94Å; H358-W360 VanDerWaalsContact O-N 3.09Å; W360-L363 PolarHBondContact O-N 2.85Å; W360-H364 PolarHBondContact O-N 3.09Å
361Q90.1Very high81.1Confident40 Ų4064.5 Ų64.519%0.18733%0.331CS..Hα-helixtrans-68.6-46.8176.5-68173.6-78.300109.7M341 H358 S359 L363 H364 A365M341-Q361 HydrophobicContact SD-CB 3.86Å; H358-Q361 HydrophobicContact CB-CG 4.41Å; H358-Q361 WeakPolarHBondContact O-CB 3.45Å; H358-Q361 PolarHBondContact O-N 3.36Å; S359-Q361 PolarHBondContact O-N 3.39Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; Q361-L363 PolarHBondContact O-N 2.81Å; Q361-H364 WeakPolarHBondContact O-CB 3.27Å; Q361-H364 PolarHBondContact O-N 3.28Å; Q361-A365 PolarHBondContact O-N 3.38Å
362L90.7Very high83.3Confident1 Ų167.7 Ų67.71%0.00532%0.324CS..Hα-helixtrans-62.6-41.8174.517959.4000111.2A70 A71 A337 L338 M341 F357 S359 H364 A365 L366A70-L362 HydrophobicContact CB-CD2 3.8Å; A70-L362 WeakPolarHBondContact O-CD2 3.35Å; A71-L362 HydrophobicContact CB-CD2 4.26Å; A337-L362 HydrophobicContact CB-CD1 3.61Å; L338-L362 HydrophobicContact CD2-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD2 4.14Å; L338-L362 HydrophobicContact CG-CD1 3.8Å; L338-L362 HydrophobicContact CG-CD2 4.48Å; M341-L362 HydrophobicContact SD-CB 4.45Å; F357-L362 HydrophobicContact CD2-CB 4.19Å; F357-L362 HydrophobicContact CE2-CB 3.95Å; F357-L362 HydrophobicContact CE2-CD2 3.99Å; F357-L362 HydrophobicContact CZ-CD2 4.44Å; S359-L362 PolarHBondContact O-N 3.28Å; L362-H364 VanDerWaalsContact C-N 3.28Å; L362-H364 PolarHBondContact O-N 3.4Å; L362-A365 PolarHBondContact O-N 3.09Å; L362-L366 WeakPolarHBondContact O-CB 3.06Å; L362-L366 PolarHBondContact O-N 3.02Å
363L92.9Very high84.9Confident15 Ų1566.6 Ų66.68%0.07932%0.317CS..Hα-helixtrans-57.4-41.3174.9178.360.1000112.3S94 L115 S359 W360 Q361 L366 K367S94-L363 VanDerWaalsContact OG-CA 3.3Å; S94-L363 WeakPolarHBondContact OG-CA 3.05Å; S94-L363 WeakPolarHBondContact OG-CB 3.41Å; S94-L363 WeakPolarHBondContact OG-CD1 3.26Å; L115-L363 HydrophobicContact CD1-CD1 3.73Å; S359-L363 PolarHBondContact O-N 3.08Å; W360-L363 PolarHBondContact O-N 2.85Å; Q361-L363 VanDerWaalsContact C-N 3.33Å; Q361-L363 PolarHBondContact O-N 2.81Å; L363-L366 PolarHBondContact O-N 2.93Å; L363-K367 WeakPolarHBondContact O-CG 3.31Å; L363-K367 PolarHBondContact O-N 3.44Å; L363-K367 VanDerWaalsContact O-N 3.15Å
364H91.9Very high86Confident104 Ų10466.9 Ų66.948%0.48132%0.318SS..Hα-helixtrans-66.2-43.5177.2-171.977.5000112.3W360 Q361 L362 K368W360-H364 PolarHBondContact O-N 3.09Å; Q361-H364 WeakPolarHBondContact O-CB 3.27Å; Q361-H364 PolarHBondContact O-N 3.28Å; L362-H364 VanDerWaalsContact C-N 3.28Å; L362-H364 PolarHBondContact O-N 3.4Å; H364-K368 PolarHBondContact CE1-NZ 2.96Å; H364-K368 WeakPolarHBondContact NE2-CE 3.45Å; H364-K368 PolarHBondContact NE2-NZ 3.26Å
365A92.8Very high87Confident15 Ų1567.6 Ų67.612%0.12432%0.318CS..Hα-helixtrans-63.1-43.7175.900000111.4A337 M341 Q361 L362 K367 K368 V369A337-A365 HydrophobicContact CB-CB 4.22Å; M341-A365 HydrophobicContact CB-CB 4.1Å; Q361-A365 PolarHBondContact O-N 3.38Å; L362-A365 PolarHBondContact O-N 3.09Å; A365-K367 PolarHBondContact O-N 2.9Å; A365-K368 CarbonylContact O-C 3.47Å; A365-K368 PolarHBondContact O-N 3.2Å; A365-V369 PolarHBondContact O-N 3.46Å
366L93.9Very high88Confident0 Ų062.9 Ų62.90%031%0.305CS..Hα-helixtrans-62.1-40.3-178-171.165.2000112.5V96 L115 S333 I334 A337 L362 L363 K368 V369 F381V96-L366 HydrophobicContact CG2-CD2 3.61Å; L115-L366 HydrophobicContact CD1-CD2 3.8Å; L115-L366 HydrophobicContact CD1-CG 4.42Å; L115-L366 HydrophobicContact CD2-CD2 4.25Å; L115-L366 HydrophobicContact CD2-CG 4.02Å; S333-L366 WeakPolarHBondContact O-CD1 3.47Å; I334-L366 HydrophobicContact CG1-CD1 4.37Å; A337-L366 HydrophobicContact CB-CB 3.91Å; A337-L366 HydrophobicContact CB-CD1 3.75Å; A337-L366 HydrophobicContact CB-CG 4.44Å; L362-L366 WeakPolarHBondContact O-CB 3.06Å; L362-L366 PolarHBondContact O-N 3.02Å; L363-L366 PolarHBondContact O-N 2.93Å; L366-K368 PolarHBondContact O-N 3.39Å; L366-K368 VanDerWaalsContact O-N 3.12Å; L366-V369 HydrophobicContact CD1-CG2 4.26Å; L366-V369 PolarHBondContact O-N 3.47Å; L366-F381 HydrophobicContact CD1-CE2 4.3Å; L366-F381 HydrophobicContact CG-CE2 4.46Å; L366-F381 WeakPolarHBondContact O-CD2 3.5Å
367K92.5Very high88.8Confident86 Ų8658 Ų5837%0.37428%0.278SS..THydrogen-bonded Turntrans-61.3-18.1174.2-74.3179.8-178.6-174.10113.9P112 L115 L363 A365P112-K367 PolarHBondContact O-NZ 3.38Å; L115-K367 HydrophobicContact CD2-CG 4.22Å; L363-K367 WeakPolarHBondContact O-CG 3.31Å; L363-K367 PolarHBondContact O-N 3.44Å; L363-K367 VanDerWaalsContact O-N 3.15Å; A365-K367 PolarHBondContact O-N 2.9Å
368K92.1Very high89.3Confident143 Ų14363.2 Ų63.262%0.62230%0.301SS*.THydrogen-bonded Turntrans-112.68.3-177.6-65.4178173.2178.30113.1H364 A365 L366 H370H364-K368 PolarHBondContact CE1-NZ 2.96Å; H364-K368 WeakPolarHBondContact NE2-CE 3.45Å; H364-K368 PolarHBondContact NE2-NZ 3.26Å; A365-K368 CarbonylContact O-C 3.47Å; A365-K368 PolarHBondContact O-N 3.2Å; L366-K368 PolarHBondContact O-N 3.39Å; L366-K368 VanDerWaalsContact O-N 3.12Å; K368-H370 PolarHBondContact O-N 2.9Å
369V92.3Very high89.5Confident3 Ų357.7 Ų57.72%0.01828%0.275CS..  trans-62.2131.5-179.9165.70000110.1H336 A337 A365 L366 F371H336-V369 HydrophobicContact CB-CG1 4.14Å; A337-V369 HydrophobicContact CB-CG2 3.57Å; A365-V369 PolarHBondContact O-N 3.46Å; L366-V369 HydrophobicContact CD1-CG2 4.26Å; L366-V369 PolarHBondContact O-N 3.47Å; V369-F371 HydrophobicContact CG1-CD1 3.38Å; V369-F371 HydrophobicContact CG1-CE1 3.62Å
370H92.9Very high89.7Confident115 Ų11559.4 Ų59.453%0.53228%0.282SS..EExtended strand (participates in β ladder)trans-143.8112.9172.3-177.6178.7000107.7K368 I379K368-H370 PolarHBondContact O-N 2.9Å; H370-I379 WeakPolarHBondContact CA-O 3.41Å
371F92.1Very high89.9Confident16 Ų1654 Ų547%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-144.9171175.769.6-78.5000110.8Y332 H336 V369 T373 I379Y332-F371 HydrophobicContact CD1-CE2 4.37Å; H336-F371 HydrophobicContact CB-CD1 4.13Å; H336-F371 HydrophobicContact CB-CG 4.46Å; H336-F371 AromaticContact CD2-CD1 3.7Å; H336-F371 AromaticContact CD2-CD2 3.38Å; H336-F371 WeakPolarHBondContact CD2-CD2 3.35Å; H336-F371 AromaticContact CD2-CE2 3.71Å; H336-F371 AromaticContact CD2-CG 3.37Å; H336-F371 WeakPolarHBondContact CD2-CG 3.33Å; H336-F371 AromaticContact CG-CD1 3.93Å; H336-F371 AromaticContact CG-CG 3.78Å; H336-F371 AromaticContact NE2-CD2 3.33Å; H336-F371 VanDerWaalsContact NE2-CD2 3.33Å; H336-F371 WeakPolarHBondContact NE2-CD2 3.41Å; H336-F371 AromaticContact NE2-CE2 3.95Å; H336-F371 AromaticContact NE2-CG 3.59Å; V369-F371 HydrophobicContact CG1-CD1 3.38Å; V369-F371 HydrophobicContact CG1-CE1 3.62Å; F371-T373 HydrophobicContact CD2-CG2 4.4Å; F371-T373 HydrophobicContact CE2-CG2 3.72Å; F371-T373 HydrophobicContact CZ-CG2 4.49Å; F371-I379 HydrophobicContact CD1-CB 3.94Å; F371-I379 HydrophobicContact CD1-CG2 4.25Å; F371-I379 HydrophobicContact CE1-CB 3.5Å; F371-I379 HydrophobicContact CE1-CG1 4.14Å; F371-I379 HydrophobicContact CE1-CG2 3.45Å; F371-I379 VanDerWaalsContact CE1-CG2 3.45Å; F371-I379 HydrophobicContact CE2-CB 4.22Å; F371-I379 HydrophobicContact CE2-CG1 4.01Å; F371-I379 HydrophobicContact CG-CB 4.49Å; F371-I379 HydrophobicContact CZ-CB 3.66Å; F371-I379 HydrophobicContact CZ-CG1 3.74Å; F371-I379 HydrophobicContact CZ-CG2 3.75Å; F371-I379 PolarHBondContact N-O 3.5Å; F371-I379 PolarHBondContact O-N 3.04Å
372K90.9Very high89.9Confident142 Ų14254.8 Ų54.862%0.61727%0.267SS*.EExtended strand (participates in β ladder)trans-116.2126.7174.8-171.6175.9175.2-178.70107.9G376 I377K372-G376 WeakPolarHBondContact CE-O 3.45Å; K372-I377 CarbonylContact C-O 3.53Å; K372-I377 VanDerWaalsContact CA-O 3.3Å; K372-I377 WeakPolarHBondContact CA-O 3.31Å
373T85.8Confident89.9Confident12 Ų1259.4 Ų59.47%0.07431%0.306CS..  trans-70.1167.2175.351.70000111S256 F371 D375 G376 I377 I379S256-T373 WeakPolarHBondContact OG-CB 3.49Å; S256-T373 PolarHBondContact OG-OG1 3.11Å; F371-T373 HydrophobicContact CD2-CG2 4.4Å; F371-T373 HydrophobicContact CE2-CG2 3.72Å; F371-T373 HydrophobicContact CZ-CG2 4.49Å; T373-D375 WeakPolarHBondContact CB-OD1 3.36Å; T373-D375 PolarHBondContact O-N 3.03Å; T373-D375 PolarHBondContact OG1-OD1 3.4Å; T373-G376 WeakPolarHBondContact O-CA 3.22Å; T373-G376 PolarHBondContact O-N 2.97Å; T373-I377 PolarHBondContact N-O 3.44Å; T373-I377 WeakPolarHBondContact OG1-CB 3.15Å; T373-I377 PolarHBondContact OG1-N 3.43Å; T373-I377 VanDerWaalsContact OG1-N 3.07Å; T373-I377 PolarHBondContact OG1-O 3.42Å; T373-I377 VanDerWaalsContact OG1-O 3.12Å; T373-I379 HydrophobicContact CG2-CD1 4.36Å; T373-I379 HydrophobicContact CG2-CG1 3.76Å
374L82.3Confident89.9Confident121 Ų12162.3 Ų62.363%0.63432%0.321SS*.THydrogen-bonded Turntrans-58.8-34.6-179.3-68.3173000113.1I259 G376I259-L374 HydrophobicContact CD1-CB 4.04Å; L374-G376 PolarHBondContact O-N 2.8Å
375D81.1Confident89.9Confident59 Ų5957.5 Ų57.532%0.31630%0.3SS..THydrogen-bonded Turntrans-81.62174.763.9-18.2000113.8S256 R257 I259 T373S256-D375 WeakPolarHBondContact CA-OD2 3.31Å; S256-D375 VanDerWaalsContact OG-CG 3.28Å; S256-D375 PolarHBondContact OG-OD1 3.15Å; S256-D375 PolarHBondContact OG-OD2 3.4Å; R257-D375 PolarHBondContact N-OD2 2.72Å; I259-D375 HydrophobicContact CD1-CB 4.41Å; T373-D375 WeakPolarHBondContact CB-OD1 3.36Å; T373-D375 PolarHBondContact O-N 3.03Å; T373-D375 PolarHBondContact OG1-OD1 3.4Å
376G84.6Confident89.9Confident30 Ų3057 Ų5731%0.30930%0.295SS..  trans90.812.7167.900000116.3K372 T373 L374K372-G376 WeakPolarHBondContact CE-O 3.45Å; T373-G376 WeakPolarHBondContact O-CA 3.22Å; T373-G376 PolarHBondContact O-N 2.97Å; L374-G376 PolarHBondContact O-N 2.8Å
377I85.8Confident89.7Confident18 Ų1857.5 Ų57.59%0.09230%0.298CS..  trans-82.2135.4178.2-57.2-176.2000109.8S255 K372 T373 I379S255-I377 VanDerWaalsContact C-CD1 3.41Å; S255-I377 VanDerWaalsContact O-CD1 3.29Å; S255-I377 WeakPolarHBondContact O-CD1 3.26Å; K372-I377 CarbonylContact C-O 3.53Å; K372-I377 VanDerWaalsContact CA-O 3.3Å; K372-I377 WeakPolarHBondContact CA-O 3.31Å; T373-I377 PolarHBondContact N-O 3.44Å; T373-I377 WeakPolarHBondContact OG1-CB 3.15Å; T373-I377 PolarHBondContact OG1-N 3.43Å; T373-I377 VanDerWaalsContact OG1-N 3.07Å; T373-I377 PolarHBondContact OG1-O 3.42Å; T373-I377 VanDerWaalsContact OG1-O 3.12Å; I377-I379 HydrophobicContact CG2-CD1 4.07Å
378K89.2Confident89.6Confident136 Ų13655.4 Ų55.459%0.59129%0.292SS*.EExtended strand (participates in β ladder)trans-83.3127.7175.8-65.4-177.3-178.7-179.60109.4
379I90.3Very high89.3Confident3 Ų349.1 Ų49.12%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-111.7123.4177.5-56-58.2000108.6T329 H370 F371 T373 I377 L387T329-I379 HydrophobicContact CG2-CD1 3.68Å; T329-I379 HydrophobicContact CG2-CG1 3.99Å; T329-I379 HydrophobicContact CG2-CG2 3.93Å; H370-I379 WeakPolarHBondContact CA-O 3.41Å; F371-I379 HydrophobicContact CD1-CB 3.94Å; F371-I379 HydrophobicContact CD1-CG2 4.25Å; F371-I379 HydrophobicContact CE1-CB 3.5Å; F371-I379 HydrophobicContact CE1-CG1 4.14Å; F371-I379 HydrophobicContact CE1-CG2 3.45Å; F371-I379 VanDerWaalsContact CE1-CG2 3.45Å; F371-I379 HydrophobicContact CE2-CB 4.22Å; F371-I379 HydrophobicContact CE2-CG1 4.01Å; F371-I379 HydrophobicContact CG-CB 4.49Å; F371-I379 HydrophobicContact CZ-CB 3.66Å; F371-I379 HydrophobicContact CZ-CG1 3.74Å; F371-I379 HydrophobicContact CZ-CG2 3.75Å; F371-I379 PolarHBondContact N-O 3.5Å; F371-I379 PolarHBondContact O-N 3.04Å; T373-I379 HydrophobicContact CG2-CD1 4.36Å; T373-I379 HydrophobicContact CG2-CG1 3.76Å; I377-I379 HydrophobicContact CG2-CD1 4.07Å; I379-L387 HydrophobicContact CD1-CD1 4.22Å; I379-L387 HydrophobicContact CG2-CD1 3.94Å
380M91.9Very high89.1Confident57 Ų5752.6 Ų52.628%0.28128%0.281SS..EExtended strand (participates in β ladder)trans-155.5153.3174.465.4-179.266.600110.4V388M380-V388 HydrophobicContact CG-CB 3.98Å; M380-V388 HydrophobicContact CG-CG2 4.39Å; M380-V388 PolarHBondContact O-N 2.95Å
381F92.3Very high88.9Confident18 Ų1847.2 Ų47.28%0.07926%0.256CS..BIsolated β-bridgetrans-101.6147.1173.9-58.5-68.7000111.3L115 R116 T117 L366 D386L115-F381 HydrophobicContact CB-CE1 4.46Å; L115-F381 HydrophobicContact CD2-CD1 4.42Å; L115-F381 HydrophobicContact CD2-CD2 3.73Å; L115-F381 HydrophobicContact CD2-CE2 3.99Å; L115-F381 HydrophobicContact CD2-CG 3.97Å; L115-F381 HydrophobicContact CD2-CZ 4.45Å; R116-F381 VanDerWaalsContact O-CE1 3.29Å; R116-F381 WeakPolarHBondContact O-CE1 3.13Å; T117-F381 HydrophobicContact CG2-CE1 4.14Å; T117-F381 HydrophobicContact CG2-CZ 4.07Å; L366-F381 HydrophobicContact CD1-CE2 4.3Å; L366-F381 HydrophobicContact CG-CE2 4.46Å; L366-F381 WeakPolarHBondContact O-CD2 3.5Å; F381-D386 CarbonylContact C-O 3.4Å; F381-D386 VanDerWaalsContact CA-O 3.28Å; F381-D386 WeakPolarHBondContact CA-O 3.25Å
382D90.8Very high88.8Confident56 Ų5647.6 Ų47.630%0.29926%0.258SS..  trans-78.4-177.3169.173.71.8000112N384 G385 D386 V388D382-N384 PolarHBondContact O-N 3.49Å; D382-N384 VanDerWaalsContact O-N 3.13Å; D382-N384 WeakPolarHBondContact OD1-CA 3.17Å; D382-N384 WeakPolarHBondContact OD1-CB 3.46Å; D382-N384 PolarHBondContact OD1-N 2.8Å; D382-G385 PolarHBondContact O-N 3.39Å; D382-G385 PolarHBondContact OD1-N 2.92Å; D382-D386 PolarHBondContact N-O 3.45Å; D382-D386 PolarHBondContact OD1-N 2.97Å; D382-V388 HydrophobicContact CB-CG2 3.76Å
383A90.4Very high88.8Confident98 Ų9840.8 Ų40.881%0.8123%0.229SC*.THydrogen-bonded Turntrans-58.9-24.3176.600000113.3
384N92.7Very high88.9Confident76 Ų7641.9 Ų41.941%0.40623%0.232SC..THydrogen-bonded Turntrans-95.413.5178.1-57.5-38.4000112.6K108 D382 D386K108-N384 WeakPolarHBondContact CE-O 3.32Å; K108-N384 PolarHBondContact NZ-O 3.24Å; D382-N384 PolarHBondContact O-N 3.49Å; D382-N384 VanDerWaalsContact O-N 3.13Å; D382-N384 WeakPolarHBondContact OD1-CA 3.17Å; D382-N384 WeakPolarHBondContact OD1-CB 3.46Å; D382-N384 PolarHBondContact OD1-N 2.8Å; N384-D386 PolarHBondContact O-N 3.4Å
385G91.6Very high89.3Confident3 Ų336.8 Ų36.83%0.03121%0.205CC..SBendtrans66.818.9177.100000114.1L115 R116 D382L115-G385 VanDerWaalsContact CA-O 3.32Å; L115-G385 WeakPolarHBondContact CA-O 3.16Å; R116-G385 PolarHBondContact N-O 2.03Å; D382-G385 PolarHBondContact O-N 3.39Å; D382-G385 PolarHBondContact OD1-N 2.92Å
386D92.5Very high89.6Confident6 Ų634 Ų343%0.03219%0.19CC..BIsolated β-bridgetrans-95.8145.1178.1-67.5-20.3000110.8S106 R116 F381 D382 N384 V388S106-D386 PolarHBondContact OG-OD2 2.03Å; R116-D386 WeakPolarHBondContact CG-OD1 3.28Å; R116-D386 IonicContact CZ-OD1 3.31Å; R116-D386 IonicContact CZ-OD2 3.35Å; R116-D386 IonicContact NE-OD1 2.87Å; R116-D386 PolarHBondContact NE-OD1 2.83Å; R116-D386 IonicContact NE-OD2 2.67Å; R116-D386 IonicContact NH2-OD1 3.72Å; R116-D386 PolarHBondContact NH2-OD1 2.85Å; R116-D386 IonicContact NH2-OD2 2.95Å; R116-D386 PolarHBondContact NH2-OD2 2.66Å; F381-D386 CarbonylContact C-O 3.4Å; F381-D386 VanDerWaalsContact CA-O 3.28Å; F381-D386 WeakPolarHBondContact CA-O 3.25Å; D382-D386 PolarHBondContact N-O 3.45Å; D382-D386 PolarHBondContact OD1-N 2.97Å; N384-D386 PolarHBondContact O-N 3.4Å; D386-V388 PolarHBondContact O-N 3.06Å
387L90.4Very high89.5Confident9 Ų935.7 Ų35.75%0.04719%0.19CC..BIsolated β-bridgetrans-65.7124.7177.6-177.667.8000110.5R116 T117 L118 T119 I379 T389R116-L387 PolarHBondContact O-N 2.72Å; T117-L387 WeakPolarHBondContact O-CD2 3.46Å; L118-L387 PolarHBondContact O-N 3.36Å; T119-L387 WeakPolarHBondContact CG2-O 3.35Å; I379-L387 HydrophobicContact CD1-CD1 4.22Å; I379-L387 HydrophobicContact CG2-CD1 3.94Å; L387-T389 HydrophobicContact CD2-CG2 3.92Å; L387-T389 HydrophobicContact CG-CG2 4.19Å; L387-T389 PolarHBondContact O-N 2.82Å
388V88.9Confident89.2Confident42 Ų4237.9 Ų37.926%0.25520%0.199SC..  trans-86.7104.2170.2-1760000108.4M380 D382 D386 V416M380-V388 HydrophobicContact CG-CB 3.98Å; M380-V388 HydrophobicContact CG-CG2 4.39Å; M380-V388 PolarHBondContact O-N 2.95Å; D382-V388 HydrophobicContact CB-CG2 3.76Å; D386-V388 PolarHBondContact O-N 3.06Å; V388-V416 HydrophobicContact CG1-CG2 4.14Å
389T86.9Confident88.6Confident12 Ų1233.8 Ų33.87%0.07419%0.186CC..  trans-143.5163.5178.2-168.90000112.2T119 H254 L387 P414T119-T389 HydrophobicContact CG2-CG2 3.77Å; H254-T389 PolarHBondContact O-OG1 3.13Å; L387-T389 HydrophobicContact CD2-CG2 3.92Å; L387-T389 HydrophobicContact CG-CG2 4.19Å; L387-T389 PolarHBondContact O-N 2.82Å; T389-P414 VanDerWaalsContact O-CG 3.3Å; T389-P414 WeakPolarHBondContact O-CG 3.23Å
390K88.7Confident87.8Confident75 Ų7540.8 Ų40.833%0.32623%0.231SC..  trans-78164.5175.9-49-167.4-173.6-161.30110.3H254 M411 I412 D413H254-K390 HydrophobicContact CB-CB 4.12Å; H254-K390 VanDerWaalsContact CB-O 3.26Å; H254-K390 WeakPolarHBondContact CB-O 3.34Å; H254-K390 PolarHBondContact N-O 3.48Å; K390-M411 HydrophobicContact CB-CE 4.49Å; K390-M411 HydrophobicContact CD-CE 3.25Å; K390-M411 HydrophobicContact CG-CE 4.46Å; K390-I412 CarbonylContact C-O 3.45Å; K390-I412 WeakPolarHBondContact CA-O 3.44Å; K390-D413 HydrophobicContact CD-CB 4.27Å; K390-D413 WeakPolarHBondContact CE-OD2 3.37Å; K390-D413 IonicContact NZ-OD2 3.7Å; K390-D413 PolarHBondContact NZ-OD2 3.42Å
391F88.8Confident87Confident3 Ų342.3 Ų42.31%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-113.5129171.1-58.8-87.8000110.1T119 T123 A127 L252 M411 I412T119-F391 HydrophobicContact CG2-CE1 4.03Å; T119-F391 HydrophobicContact CG2-CZ 3.67Å; T119-F391 WeakPolarHBondContact OG1-CE1 3.35Å; T123-F391 HydrophobicContact CG2-CE2 4.43Å; T123-F391 HydrophobicContact CG2-CZ 4.25Å; A127-F391 HydrophobicContact CB-CD2 3.81Å; A127-F391 HydrophobicContact CB-CE2 3.85Å; A127-F391 HydrophobicContact CB-CG 4.3Å; A127-F391 HydrophobicContact CB-CZ 4.38Å; L252-F391 CarbonylContact O-C 3.52Å; L252-F391 WeakPolarHBondContact O-CA 3.02Å; F391-M411 CarbonylContact O-C 3.42Å; F391-M411 WeakPolarHBondContact O-CA 2.79Å; F391-I412 HydrophobicContact CB-CB 4.19Å; F391-I412 HydrophobicContact CD2-CB 4.46Å; F391-I412 PolarHBondContact N-O 3.37Å; F391-I412 PolarHBondContact O-N 3.46Å
392D88.9Confident86Confident23 Ų2343.7 Ų43.712%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-80.3135.5165.8-73.2-49.1000110.1L252 H254 F394 H408L252-D392 PolarHBondContact N-O 3.29Å; L252-D392 PolarHBondContact O-N 3.41Å; H254-D392 IonicContact CE1-OD2 3.91Å; H254-D392 IonicContact CG-OD2 3.34Å; H254-D392 IonicContact ND1-OD1 2.8Å; H254-D392 IonicContact ND1-OD2 2.89Å; H254-D392 PolarHBondContact ND1-OD2 3.23Å; D392-F394 HydrophobicContact CB-CD2 4.21Å; D392-F394 HydrophobicContact CB-CE2 3.6Å; D392-F394 HydrophobicContact CB-CZ 4.41Å; D392-H408 IonicContact OD1-CD2 3.71Å; D392-H408 IonicContact OD1-CE1 3.83Å; D392-H408 IonicContact OD1-NE2 3.54Å; D392-H408 PolarHBondContact OD1-NE2 3.24Å
393I91.2Very high85.4Confident0 Ų044.6 Ų44.60%028%0.28CS..EExtended strand (participates in β ladder)trans-98.9121.5178-51.4168.8000107.8L131 F249 L251 V409 G410 I412 V424 L426L131-I393 HydrophobicContact CD1-CD1 4.03Å; L131-I393 HydrophobicContact CD2-CG2 4.26Å; F249-I393 HydrophobicContact CD1-CG2 3.89Å; L251-I393 HydrophobicContact CD2-CB 4.37Å; L251-I393 HydrophobicContact CD2-CG1 3.85Å; L251-I393 HydrophobicContact CD2-CG2 4.32Å; I393-V409 HydrophobicContact CB-CG2 4Å; I393-V409 HydrophobicContact CG2-CG2 3.58Å; I393-V409 WeakPolarHBondContact O-CG2 3.02Å; I393-V409 PolarHBondContact O-N 3.16Å; I393-G410 PolarHBondContact N-O 2.86Å; I393-I412 HydrophobicContact CD1-CD1 4.21Å; I393-I412 HydrophobicContact CD1-CG1 3.68Å; I393-I412 HydrophobicContact CG1-CD1 4.27Å; I393-I412 HydrophobicContact CG1-CG1 3.87Å; I393-V424 HydrophobicContact CD1-CG1 4Å; I393-L426 HydrophobicContact CD1-CD2 3.68Å
394F88.8Confident84.9Confident34 Ų3440.3 Ų40.315%0.14924%0.243CC..EExtended strand (participates in β ladder)trans-111.6140.8174.1-72.4-92.2000110.6T229 M232 F249 G250 L252 D392 L406 V407 H408T229-F394 HydrophobicContact CG2-CB 4.1Å; T229-F394 HydrophobicContact CG2-CD2 4.07Å; T229-F394 HydrophobicContact CG2-CG 4.29Å; M232-F394 HydrophobicContact CE-CB 4.3Å; F249-F394 CarbonylContact C-O 3.57Å; F249-F394 VanDerWaalsContact CA-O 3.31Å; F249-F394 WeakPolarHBondContact CA-O 3.37Å; G250-F394 PolarHBondContact N-O 2.68Å; G250-F394 PolarHBondContact O-N 3.3Å; L252-F394 HydrophobicContact CB-CD2 4.01Å; L252-F394 HydrophobicContact CB-CE2 3.84Å; L252-F394 HydrophobicContact CD2-CE2 3.92Å; L252-F394 HydrophobicContact CD2-CZ 4.48Å; D392-F394 HydrophobicContact CB-CD2 4.21Å; D392-F394 HydrophobicContact CB-CE2 3.6Å; D392-F394 HydrophobicContact CB-CZ 4.41Å; F394-L406 HydrophobicContact CD1-CB 4.25Å; F394-V407 CarbonylContact C-O 3.55Å; F394-V407 VanDerWaalsContact CA-O 3.31Å; F394-V407 WeakPolarHBondContact CA-O 3.46Å; F394-H408 HydrophobicContact CD1-CB 4.22Å; F394-H408 HydrophobicContact CE1-CB 3.83Å; F394-H408 HydrophobicContact CZ-CB 4.29Å; F394-H408 AromaticContact CZ-CD2 3.98Å
395Q89.3Confident84.4Confident14 Ų1440.7 Ų40.77%0.06524%0.242CC..EExtended strand (participates in β ladder)trans-116.7134.3173.4-165.1-175.932.300110.8T248 F249 Q397 V407 V409T248-Q395 CarbonylContact O-C 3.59Å; T248-Q395 VanDerWaalsContact O-CA 3.26Å; T248-Q395 WeakPolarHBondContact O-CA 3.19Å; F249-Q395 HydrophobicContact CD1-CB 4.25Å; F249-Q395 HydrophobicContact CD1-CG 4.24Å; F249-Q395 HydrophobicContact CE1-CB 4.13Å; F249-Q395 HydrophobicContact CE1-CG 3.94Å; F249-Q395 HydrophobicContact CZ-CG 4.15Å; F249-Q395 VanDerWaalsContact CZ-NE2 3.32Å; Q395-Q397 HydrophobicContact CG-CG 4.31Å; Q395-V407 PolarHBondContact N-O 3.06Å; Q395-V407 PolarHBondContact O-N 3.12Å; Q395-V409 HydrophobicContact CB-CG1 3.73Å; Q395-V409 HydrophobicContact CB-CG2 4.11Å
396G86.9Confident83.9Confident0 Ų041.1 Ų41.10%024%0.244CC..EExtended strand (participates in β ladder)trans-77.1116.7171.800000111.7G247 T248 F404G247-G396 WeakPolarHBondContact CA-O 3.42Å; G247-G396 PolarHBondContact N-O 3.47Å; T248-G396 PolarHBondContact O-N 3.42Å; G396-F404 VanDerWaalsContact CA-CZ 3.45Å
397Q84.3Confident83.5Confident66 Ų6643.4 Ų43.431%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-130.8137.4-178.4-61.4-177.66.200111.4Q395 F404 H405 V407Q395-Q397 HydrophobicContact CG-CG 4.31Å; Q397-F404 CarbonylContact O-C 3.59Å; Q397-H405 PolarHBondContact N-O 2.72Å; Q397-H405 PolarHBondContact O-N 3.06Å; Q397-V407 HydrophobicContact CB-CG2 4.26Å; Q397-V407 HydrophobicContact CG-CG2 4.26Å
398K79.2Confident83.4Confident64 Ų6445.7 Ų45.728%0.27827%0.268SS..EExtended strand (participates in β ladder)trans-87.4135.4165.4-77.6173.6176.7174.10111.9S242 Q243 Q246 V403 F404S242-K398 VanDerWaalsContact C-CE 3.44Å; S242-K398 WeakPolarHBondContact O-CE 3.34Å; S242-K398 PolarHBondContact O-NZ 3.14Å; S242-K398 VanDerWaalsContact O-NZ 3.14Å; S242-K398 WeakPolarHBondContact OG-CE 3.34Å; S242-K398 PolarHBondContact OG-NZ 3.26Å; S242-K398 VanDerWaalsContact OG-NZ 3.11Å; Q243-K398 VanDerWaalsContact CG-NZ 3.28Å; Q246-K398 VanDerWaalsContact OE1-CG 3.24Å; K398-V403 WeakPolarHBondContact CA-O 3.04Å; K398-F404 HydrophobicContact CG-CD2 4.23Å
399T75.6Confident83.5Confident51 Ų5143.9 Ų43.931%0.31326%0.257SS..  trans-70.5162.8166.353.50000110.9A401 G402 V403T399-A401 PolarHBondContact O-N 3.34Å; T399-A401 VanDerWaalsContact O-N 3.09Å; T399-G402 PolarHBondContact O-N 3.26Å; T399-V403 PolarHBondContact N-O 3.31Å; T399-V403 WeakPolarHBondContact OG1-CB 3.44Å; T399-V403 PolarHBondContact OG1-N 3.14Å; T399-V403 VanDerWaalsContact OG1-N 3.14Å; T399-V403 PolarHBondContact OG1-O 2.82Å
400P74.3Confident83.6Confident149 Ų14943.5 Ų43.597%0.96826%0.256SS*.THydrogen-bonded Turntrans-55.4-25170.8-25.835000113.6G402P400-G402 PolarHBondContact O-N 3.46Å
401A75.1Confident83.8Confident89 Ų8942.2 Ų42.274%0.73625%0.252SS*.THydrogen-bonded Turntrans-79.31.3174.500000114.1T399 V403T399-A401 PolarHBondContact O-N 3.34Å; T399-A401 VanDerWaalsContact O-N 3.09Å; A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.45Å
402G70.4Confident83.9Confident48 Ų4842.1 Ų42.150%0.49525%0.251SS..SBendtrans82.21.5178.700000115.4T399 P400T399-G402 PolarHBondContact O-N 3.26Å; P400-G402 PolarHBondContact O-N 3.46Å
403V78Confident83.8Confident75 Ų7542.3 Ų42.346%0.45525%0.252SS..  trans-82.3131.2179.7-173.50000110.2K398 T399 A401 H405K398-V403 WeakPolarHBondContact CA-O 3.04Å; T399-V403 PolarHBondContact N-O 3.31Å; T399-V403 WeakPolarHBondContact OG1-CB 3.44Å; T399-V403 PolarHBondContact OG1-N 3.14Å; T399-V403 VanDerWaalsContact OG1-N 3.14Å; T399-V403 PolarHBondContact OG1-O 2.82Å; A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.45Å; V403-H405 WeakPolarHBondContact CG1-NE2 3.41Å
404F81.4Confident83.2Confident7 Ų743.7 Ų43.73%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-83.9137179.5-172.2-93.5000111.1A235 L236 L245 G396 Q397 K398 L406A235-F404 HydrophobicContact CB-CD1 3.59Å; A235-F404 HydrophobicContact CB-CD2 4.15Å; A235-F404 HydrophobicContact CB-CE1 3.58Å; A235-F404 HydrophobicContact CB-CE2 4.14Å; A235-F404 HydrophobicContact CB-CG 3.88Å; A235-F404 HydrophobicContact CB-CZ 3.85Å; L236-F404 HydrophobicContact CD2-CB 4.22Å; L236-F404 HydrophobicContact CD2-CD1 3.97Å; L236-F404 WeakPolarHBondContact CD2-O 3.33Å; L236-F404 HydrophobicContact CG-CD1 4.36Å; L245-F404 HydrophobicContact CB-CE2 4.28Å; L245-F404 HydrophobicContact CB-CZ 4.17Å; G396-F404 VanDerWaalsContact CA-CZ 3.45Å; Q397-F404 CarbonylContact O-C 3.59Å; K398-F404 HydrophobicContact CG-CD2 4.23Å; F404-L406 HydrophobicContact CE1-CD2 4.02Å; F404-L406 HydrophobicContact CE1-CG 4.46Å; F404-L406 HydrophobicContact CZ-CD2 4.45Å
405H80.8Confident82.2Confident84 Ų8445.6 Ų45.639%0.38927%0.27SS..EExtended strand (participates in β ladder)trans-137.4150.1176.8-67.8-82.9000110.9Q397 V403Q397-H405 PolarHBondContact N-O 2.72Å; Q397-H405 PolarHBondContact O-N 3.06Å; V403-H405 WeakPolarHBondContact CG1-NE2 3.41Å
406L81.8Confident80.5Confident12 Ų1250.8 Ų50.86%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-95.1115.3168.6-65.1174.4000109M232 E320 F394 F404M232-L406 HydrophobicContact CB-CD1 4.5Å; M232-L406 HydrophobicContact CB-CD2 3.72Å; M232-L406 HydrophobicContact CE-CD2 3.71Å; M232-L406 HydrophobicContact CG-CD2 4.4Å; M232-L406 HydrophobicContact SD-CD2 3.75Å; E320-L406 WeakPolarHBondContact OE2-CB 3.28Å; F394-L406 HydrophobicContact CD1-CB 4.25Å; F404-L406 HydrophobicContact CE1-CD2 4.02Å; F404-L406 HydrophobicContact CE1-CG 4.46Å; F404-L406 HydrophobicContact CZ-CD2 4.45Å
407V84.8Confident78.8Confident54 Ų5455.7 Ų55.733%0.32734%0.337SS..EExtended strand (participates in β ladder)trans-104.5129-177.3-175.80000109.1F394 Q395 Q397 V409F394-V407 CarbonylContact C-O 3.55Å; F394-V407 VanDerWaalsContact CA-O 3.31Å; F394-V407 WeakPolarHBondContact CA-O 3.46Å; Q395-V407 PolarHBondContact N-O 3.06Å; Q395-V407 PolarHBondContact O-N 3.12Å; Q397-V407 HydrophobicContact CB-CG2 4.26Å; Q397-V407 HydrophobicContact CG-CG2 4.26Å; V407-V409 HydrophobicContact CG1-CG1 4.34Å; V407-V409 PolarHBondContact O-N 3.2Å
408H87.4Confident76.9Confident57 Ų5756 Ų5626%0.26435%0.346SS..EExtended strand (participates in β ladder)trans-73.2112.7172.9179.1-98.7000110.1D392 F394 G410 K427D392-H408 IonicContact OD1-CD2 3.71Å; D392-H408 IonicContact OD1-CE1 3.83Å; D392-H408 IonicContact OD1-NE2 3.54Å; D392-H408 PolarHBondContact OD1-NE2 3.24Å; F394-H408 HydrophobicContact CD1-CB 4.22Å; F394-H408 HydrophobicContact CE1-CB 3.83Å; F394-H408 HydrophobicContact CZ-CB 4.29Å; F394-H408 AromaticContact CZ-CD2 3.98Å; H408-G410 PolarHBondContact NE2-O 2.84Å; H408-G410 VanDerWaalsContact NE2-O 3.1Å; H408-K427 PolarHBondContact ND1-NZ 3.45Å; H408-K427 PolarHBondContact O-NZ 3.19Å
409V90Very high75.4Confident5 Ų556.1 Ų56.13%0.0337%0.366CS..EExtended strand (participates in β ladder)trans-110.1-10.5-171.9-65.60000113.7F249 I393 Q395 V407 L426 K427 L430F249-V409 HydrophobicContact CD1-CG2 4.42Å; F249-V409 HydrophobicContact CE1-CG2 4.24Å; I393-V409 HydrophobicContact CB-CG2 4Å; I393-V409 HydrophobicContact CG2-CG2 3.58Å; I393-V409 WeakPolarHBondContact O-CG2 3.02Å; I393-V409 PolarHBondContact O-N 3.16Å; Q395-V409 HydrophobicContact CB-CG1 3.73Å; Q395-V409 HydrophobicContact CB-CG2 4.11Å; V407-V409 HydrophobicContact CG1-CG1 4.34Å; V407-V409 PolarHBondContact O-N 3.2Å; V409-L426 WeakPolarHBondContact O-CA 3.35Å; V409-K427 PolarHBondContact O-N 2.64Å; V409-L430 HydrophobicContact CB-CD1 3.93Å; V409-L430 HydrophobicContact CB-CD2 4.31Å; V409-L430 HydrophobicContact CG1-CD1 3.64Å; V409-L430 HydrophobicContact CG1-CD2 4.39Å; V409-L430 HydrophobicContact CG2-CD2 4.38Å
410G90.9Very high74.4Confident4 Ų460.4 Ų60.44%0.04139%0.387CS..EExtended strand (participates in β ladder)trans169.6-166.3-179.100000113.7I393 H408 Q425I393-G410 PolarHBondContact N-O 2.86Å; H408-G410 PolarHBondContact NE2-O 2.84Å; H408-G410 VanDerWaalsContact NE2-O 3.1Å; G410-Q425 CarbonylContact C-O 3.58Å; G410-Q425 WeakPolarHBondContact CA-O 3.39Å
411M91.4Very high73.9Confident48 Ų4860.8 Ų60.824%0.23637%0.374CS..EExtended strand (participates in β ladder)trans-148.4154-179.360.3-172.9-71.800112.4K390 F391 Q425K390-M411 HydrophobicContact CB-CE 4.49Å; K390-M411 HydrophobicContact CD-CE 3.25Å; K390-M411 HydrophobicContact CG-CE 4.46Å; F391-M411 CarbonylContact O-C 3.42Å; F391-M411 WeakPolarHBondContact O-CA 2.79Å; M411-Q425 HydrophobicContact CG-CB 4Å; M411-Q425 PolarHBondContact N-O 3.43Å; M411-Q425 PolarHBondContact O-N 3.47Å
412I90.8Very high74.2Confident0 Ų057.6 Ų57.60%034%0.344CS..EExtended strand (participates in β ladder)trans-117.5122.3173.4-51.8-176.7000108.3A127 L131 L251 K390 F391 I393 M422 M423 V424A127-I412 HydrophobicContact CB-CD1 4.2Å; A127-I412 WeakPolarHBondContact O-CD1 3.3Å; L131-I412 HydrophobicContact CB-CD1 4.47Å; L251-I412 HydrophobicContact CD1-CD1 4.16Å; L251-I412 HydrophobicContact CD2-CD1 3.92Å; K390-I412 CarbonylContact C-O 3.45Å; K390-I412 WeakPolarHBondContact CA-O 3.44Å; F391-I412 HydrophobicContact CB-CB 4.19Å; F391-I412 HydrophobicContact CD2-CB 4.46Å; F391-I412 PolarHBondContact N-O 3.37Å; F391-I412 PolarHBondContact O-N 3.46Å; I393-I412 HydrophobicContact CD1-CD1 4.21Å; I393-I412 HydrophobicContact CD1-CG1 3.68Å; I393-I412 HydrophobicContact CG1-CD1 4.27Å; I393-I412 HydrophobicContact CG1-CG1 3.87Å; I412-M422 HydrophobicContact CG2-CB 3.72Å; I412-M422 HydrophobicContact CG2-CG 4.44Å; I412-M422 HydrophobicContact CG2-SD 4.2Å; I412-M423 CarbonylContact C-O 3.5Å; I412-M423 WeakPolarHBondContact CA-O 3.26Å; I412-V424 HydrophobicContact CD1-CG2 4.33Å; I412-V424 HydrophobicContact CG1-CG1 4.49Å; I412-V424 HydrophobicContact CG1-CG2 4.16Å; I412-V424 HydrophobicContact CG2-CG2 4.42Å
413D87.3Confident74.8Confident28 Ų2859 Ų5915%0.1534%0.339CS..EExtended strand (participates in β ladder)trans-108.4117.4-178-160-14.6000111.1K390 Q415 M422 M423K390-D413 HydrophobicContact CD-CB 4.27Å; K390-D413 WeakPolarHBondContact CE-OD2 3.37Å; K390-D413 IonicContact NZ-OD2 3.7Å; K390-D413 PolarHBondContact NZ-OD2 3.42Å; D413-Q415 PolarHBondContact O-N 2.63Å; D413-M422 WeakPolarHBondContact O-CA 3.26Å; D413-M423 PolarHBondContact N-O 3.25Å; D413-M423 PolarHBondContact O-N 3.16Å
414P78.5Confident75.2Confident28 Ų2856.5 Ų56.518%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-75103.7171.629.7-31.3000110.9T389 V416 M422T389-P414 VanDerWaalsContact O-CG 3.3Å; T389-P414 WeakPolarHBondContact O-CG 3.23Å; P414-V416 PolarHBondContact O-N 3.1Å; P414-M422 HydrophobicContact CB-CE 4.45Å; P414-M422 HydrophobicContact CB-CG 4.43Å
415Q67.2Low75.5Confident74 Ų7460.7 Ų60.735%0.34634%0.343SS..  trans-74111.2175.4-77.2-88-10.700110.9D413 S417 M423D413-Q415 PolarHBondContact O-N 2.63Å; Q415-S417 VanDerWaalsContact C-N 3.32Å; Q415-S417 PolarHBondContact O-N 3.46Å; Q415-M423 HydrophobicContact CG-CE 3.89Å; Q415-M423 HydrophobicContact CG-CG 4.09Å; Q415-M423 HydrophobicContact CG-SD 4.12Å
416V54.7Low75.8Confident124 Ų12459 Ų5975%0.75234%0.336SS*.THydrogen-bonded Turntrans-69.1-24.1-175.1-178.60000113.3V388 P414V388-V416 HydrophobicContact CG1-CG2 4.14Å; P414-V416 PolarHBondContact O-N 3.1Å
417S51.5Low75.9Confident103 Ų10364 Ų6472%0.7236%0.358SS*.THydrogen-bonded Turntrans-94.7-9-17354.90000115.5Q415Q415-S417 VanDerWaalsContact C-N 3.32Å; Q415-S417 PolarHBondContact O-N 3.46Å
418S44.8Very low75.1Confident71 Ų7170.6 Ų70.650%0.49739%0.385SS..SBendtrans-127.654.8-168.7-73.10000114.1N420 K421S418-N420 PolarHBondContact O-N 3.4Å; S418-K421 PolarHBondContact O-N 3.45Å
419G46.3Very low73.9Confident68 Ų6875.7 Ų75.770%0.70141%0.414SS*.THydrogen-bonded Turntrans50.56816000000115.4K421G419-K421 PolarHBondContact O-N 3.16Å; G419-K421 VanDerWaalsContact O-N 3.08Å
420N54.8Low73.4Confident141 Ų14177.4 Ų77.475%0.75442%0.423SS*.THydrogen-bonded Turntrans61.67.5174.4-70.1-3.6000117.4H126 S418 M422H126-N420 PolarHBondContact CE1-O 3.1Å; H126-N420 VanDerWaalsContact CE1-O 3.26Å; S418-N420 PolarHBondContact O-N 3.4Å; N420-M422 PolarHBondContact O-N 3.4Å
421K64.8Low72.7Confident156 Ų15686.2 Ų86.268%0.67846%0.463SS*.  trans-80.7112.2176.7-65.5-176.3-179.9-178.30110.8S418 G419S418-K421 PolarHBondContact O-N 3.45Å; G419-K421 PolarHBondContact O-N 3.16Å; G419-K421 VanDerWaalsContact O-N 3.08Å
422M80.6Confident72.5Confident23 Ų2386 Ų8611%0.11347%0.465CS..EExtended strand (participates in β ladder)trans-87.3135.5169.2-60.3177.7169.600109.2T123 H126 A127 Q130 I412 D413 P414 N420T123-M422 HydrophobicContact CG2-CE 3.83Å; H126-M422 HydrophobicContact CB-CE 4.35Å; H126-M422 VanDerWaalsContact ND1-CE 3.26Å; H126-M422 WeakPolarHBondContact ND1-CE 3.33Å; H126-M422 PolarHBondContact ND1-SD 2.84Å; A127-M422 HydrophobicContact CB-SD 3.83Å; Q130-M422 HydrophobicContact CG-CB 4.11Å; Q130-M422 HydrophobicContact CG-CG 4.5Å; Q130-M422 HydrophobicContact CG-SD 4.33Å; I412-M422 HydrophobicContact CG2-CB 3.72Å; I412-M422 HydrophobicContact CG2-CG 4.44Å; I412-M422 HydrophobicContact CG2-SD 4.2Å; D413-M422 WeakPolarHBondContact O-CA 3.26Å; P414-M422 HydrophobicContact CB-CE 4.45Å; P414-M422 HydrophobicContact CB-CG 4.43Å; N420-M422 PolarHBondContact O-N 3.4Å
423M82.6Confident72.3Confident78 Ų7888.2 Ų88.238%0.38448%0.479SS..EExtended strand (participates in β ladder)trans-96128177.3-62.7-168.1-46.100110.1I412 D413 Q415I412-M423 CarbonylContact C-O 3.5Å; I412-M423 WeakPolarHBondContact CA-O 3.26Å; D413-M423 PolarHBondContact N-O 3.25Å; D413-M423 PolarHBondContact O-N 3.16Å; Q415-M423 HydrophobicContact CG-CE 3.89Å; Q415-M423 HydrophobicContact CG-CG 4.09Å; Q415-M423 HydrophobicContact CG-SD 4.12Å
424V87.1Confident72.4Confident21 Ų2190.6 Ų90.613%0.12750%0.497CS..EExtended strand (participates in β ladder)trans-96127.6174.9-177.10000108.8Q130 L131 H134 I393 I412 L426Q130-V424 HydrophobicContact CB-CG2 4.33Å; L131-V424 HydrophobicContact CD1-CG1 3.97Å; H134-V424 HydrophobicContact CB-CB 4.15Å; H134-V424 HydrophobicContact CB-CG1 4.22Å; H134-V424 HydrophobicContact CB-CG2 4.12Å; I393-V424 HydrophobicContact CD1-CG1 4Å; I412-V424 HydrophobicContact CD1-CG2 4.33Å; I412-V424 HydrophobicContact CG1-CG1 4.49Å; I412-V424 HydrophobicContact CG1-CG2 4.16Å; I412-V424 HydrophobicContact CG2-CG2 4.42Å; V424-L426 HydrophobicContact CG1-CD2 4.44Å; V424-L426 HydrophobicContact CG1-CG 4.2Å
425Q87.1Confident73.1Confident95 Ų9589.4 Ų89.444%0.44449%0.49SS..EExtended strand (participates in β ladder)trans-123.7114.7177.3-66.8178-17.100108.7G410 M411G410-Q425 CarbonylContact C-O 3.58Å; G410-Q425 WeakPolarHBondContact CA-O 3.39Å; M411-Q425 HydrophobicContact CG-CB 4Å; M411-Q425 PolarHBondContact N-O 3.43Å; M411-Q425 PolarHBondContact O-N 3.47Å
426L86.8Confident74.3Confident49 Ų4989.4 Ų89.426%0.25749%0.492SS..EExtended strand (participates in β ladder)trans-107.2152.6177.7-64173.9000110.4H134 F135 I393 V409 V424H134-L426 WeakPolarHBondContact NE2-CD1 3.34Å; F135-L426 HydrophobicContact CD1-CD1 4.39Å; F135-L426 HydrophobicContact CE1-CD1 3.4Å; F135-L426 VanDerWaalsContact CE1-CD1 3.4Å; F135-L426 HydrophobicContact CZ-CD1 3.67Å; I393-L426 HydrophobicContact CD1-CD2 3.68Å; V409-L426 WeakPolarHBondContact O-CA 3.35Å; V424-L426 HydrophobicContact CG1-CD2 4.44Å; V424-L426 HydrophobicContact CG1-CG 4.2Å
427K84.8Confident76Confident118 Ų11884.9 Ų84.951%0.51347%0.465SS..  trans-71.4141.9164.2-64.2176.5-173.9163.50108.1H408 V409H408-K427 PolarHBondContact ND1-NZ 3.45Å; H408-K427 PolarHBondContact O-NZ 3.19Å; V409-K427 PolarHBondContact O-N 2.64Å
428E68.2Low78Confident191 Ų19180.8 Ų80.889%0.89344%0.436SS*.SBendtrans-53148.5-169-69.5178.3163.700114.8
429D62.8Low80.1Confident164 Ų16484.9 Ų84.988%0.87745%0.447SS*.  trans5250.5173.5-67.6-14.3000117.9Q431D429-Q431 PolarHBondContact O-N 3.38Å
430L78.1Confident82.3Confident42 Ų4284.8 Ų84.822%0.2244%0.436CS..  trans-74.8108.8167.2-139.885.7000111.1F135 F249 V409 V432F135-L430 HydrophobicContact CZ-CD2 4.42Å; F249-L430 HydrophobicContact CE1-CD2 3.47Å; F249-L430 VanDerWaalsContact CE1-CD2 3.47Å; F249-L430 HydrophobicContact CZ-CD2 3.58Å; V409-L430 HydrophobicContact CB-CD1 3.93Å; V409-L430 HydrophobicContact CB-CD2 4.31Å; V409-L430 HydrophobicContact CG1-CD1 3.64Å; V409-L430 HydrophobicContact CG1-CD2 4.39Å; V409-L430 HydrophobicContact CG2-CD2 4.38Å; L430-V432 HydrophobicContact CD2-CG1 4.3Å; L430-V432 PolarHBondContact O-N 3.19Å
431Q77.4Confident84.1Confident188 Ų18878.1 Ų78.188%0.87940%0.401SS*.  trans-73.4116.8172.2-71.4-171.7-7.400110.6D429D429-Q431 PolarHBondContact O-N 3.38Å
432V85.8Confident85.5Confident45 Ų4575.1 Ų75.127%0.27339%0.392SS..  trans-119.8145.7175.7-65.60000110.7F135 W137 F249 L430F135-V432 HydrophobicContact CB-CG2 4.49Å; F135-V432 HydrophobicContact CD1-CG1 4.14Å; F135-V432 HydrophobicContact CD1-CG2 3.76Å; F135-V432 HydrophobicContact CE1-CG1 3.79Å; F135-V432 HydrophobicContact CE1-CG2 4.21Å; F135-V432 HydrophobicContact CG-CG2 4.24Å; F135-V432 HydrophobicContact CZ-CG1 4.01Å; W137-V432 HydrophobicContact CZ2-CB 3.97Å; W137-V432 HydrophobicContact CZ2-CG1 4.43Å; W137-V432 HydrophobicContact CZ2-CG2 4.32Å; F249-V432 HydrophobicContact CE2-CG1 4.06Å; F249-V432 HydrophobicContact CZ-CG1 3.68Å; L430-V432 HydrophobicContact CD2-CG1 4.3Å; L430-V432 PolarHBondContact O-N 3.19Å
433P87.3Confident86.1Confident46 Ų4676.3 Ų76.330%0.29940%0.401SS..  trans-67.5143.6178.527.4-33.1000110.8W137 K196 V223W137-P433 PolarHBondContact NE1-O 3.45Å; K196-P433 HydrophobicContact CD-CB 4.26Å; V223-P433 HydrophobicContact CB-CG 4.41Å; V223-P433 HydrophobicContact CG2-CG 3.46Å; V223-P433 VanDerWaalsContact CG2-CG 3.46Å
434S89.1Confident86.6Confident77 Ų7772.7 Ų72.754%0.53838%0.384SS..  trans-73.3133.3168.856.30000110.5
435S93.1Very high87Confident3 Ų375.2 Ų75.22%0.02139%0.393CS..  trans-124.595173.7-162.10000109.1S138 W139 S195 K196S138-S435 PolarHBondContact N-O 2.77Å; S138-S435 VanDerWaalsContact N-O 3.16Å; W139-S435 PolarHBondContact N-O 2.91Å; W139-S435 VanDerWaalsContact N-O 3.09Å; W139-S435 WeakPolarHBondContact O-CB 3.46Å; W139-S435 PolarHBondContact O-OG 3.31Å; S195-S435 PolarHBondContact OG-OG 3.16Å; K196-S435 PolarHBondContact N-OG 2.96Å; K196-S435 VanDerWaalsContact N-OG 3.08Å
436I92.1Very high87.3Confident75 Ų7571.4 Ų71.439%0.38538%0.377SS..  trans-131.5147.9-177.661.5178.6000108.8E439I436-E439 HydrophobicContact CD1-CG 4.17Å
437C92.1Very high87.7Confident28 Ų2870.7 Ų70.719%0.18937%0.372CS..SBendtrans-81.2-43176.6-1720000111.6W139 C457W139-C437 HydrophobicContact CB-CB 4.36Å; W139-C437 HydrophobicContact CD2-CB 3.71Å; W139-C437 HydrophobicContact CE3-CB 3.93Å; W139-C437 HydrophobicContact CG-CB 3.94Å; W139-C437 HydrophobicContact CZ2-CB 4.47Å; W139-C437 HydrophobicContact CZ3-CB 4.43Å; C437-C457 HydrophobicContact CB-CB 4.08Å; C437-C457 WeakPolarHBondContact CB-SG 3.47Å; C437-C457 WeakPolarHBondContact SG-CB 3.22Å; C437-C457 CovalentContact SG-SG 2.03Å; C437-C457 PolarHBondContact SG-SG 3.05Å
438S92.1Very high88Confident17 Ų1768.2 Ų68.212%0.11937%0.367CS..SBendtrans-131.7142.2179.1-66.90000110F458S438-F458 WeakPolarHBondContact CB-O 3.32Å; S438-F458 PolarHBondContact OG-N 2.93Å; S438-F458 PolarHBondContact OG-O 2.74Å
439E90.3Very high89.1Confident157 Ų15764.2 Ų64.273%0.73436%0.357SS*.PPolyproline II helixtrans-69.8152172.2-63.7-170.1167.500111I436 C441 F458I436-E439 HydrophobicContact CD1-CG 4.17Å; E439-C441 PolarHBondContact O-N 3.44Å; E439-F458 WeakPolarHBondContact O-CE2 3.43Å
440S90.7Very high90.5Very high67 Ų6761.3 Ų61.347%0.46933%0.334SS..PPolyproline II helixtrans-61.7132.2176-77.30000111.7D473S440-D473 VanDerWaalsContact CA-OD1 3.25Å; S440-D473 WeakPolarHBondContact CA-OD1 3.39Å; S440-D473 WeakPolarHBondContact CB-OD2 3.46Å; S440-D473 PolarHBondContact OG-OD2 3.35Å
441C92.6Very high91Very high1 Ų168.2 Ų68.21%0.00737%0.37CS..PPolyproline II helixtrans-71.9133.4175.7-59.10000110.7E439 F445 C460 R472 D473E439-C441 PolarHBondContact O-N 3.44Å; C441-F445 HydrophobicContact CB-CB 4.25Å; C441-C460 WeakPolarHBondContact CA-SG 3.31Å; C441-C460 HydrophobicContact CB-CB 3.86Å; C441-C460 WeakPolarHBondContact CB-SG 3.47Å; C441-C460 WeakPolarHBondContact SG-CA 3.46Å; C441-C460 WeakPolarHBondContact SG-CB 3.23Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 2.98Å; C441-R472 WeakPolarHBondContact O-CA 3.49Å; C441-R472 WeakPolarHBondContact O-CB 3.36Å; C441-D473 PolarHBondContact N-OD1 3.01Å; C441-D473 PolarHBondContact O-N 3.19Å; C441-D473 VanDerWaalsContact O-N 3.13Å
442L94.3Very high91.4Very high93 Ų9363.5 Ų63.549%0.48737%0.372SS..PPolyproline II helixtrans-71.9158.4173.8-65.4171000111.2F445L442-F445 HydrophobicContact CB-CD2 4.44Å; L442-F445 WeakPolarHBondContact O-CB 3.44Å; L442-F445 PolarHBondContact O-N 2.91Å; L442-F445 VanDerWaalsContact O-N 3.16Å
443P94.3Very high91.5Very high48 Ų4863.3 Ų63.331%0.31238%0.375SS..THydrogen-bonded Turntrans-50.9143.9166.9-2535.7000111.1F445 A469 R472 D491P443-F445 VanDerWaalsContact C-N 3.35Å; P443-A469 CarbonylContact C-O 3.52Å; P443-A469 WeakPolarHBondContact CA-O 3.43Å; P443-R472 HydrophobicContact CG-CG 4.45Å; P443-D491 HydrophobicContact CB-CB 3.82Å
444G92.8Very high91.6Very high2 Ų263.6 Ų63.62%0.02138%0.377CS..THydrogen-bonded Turntrans91.5-12.2-170.400000115.2C463 A469 T489 R490G444-C463 PolarHBondContact O-N 2.98Å; G444-A469 PolarHBondContact N-O 2.95Å; G444-T489 WeakPolarHBondContact CA-O 3.42Å; G444-R490 WeakPolarHBondContact CA-O 3.43Å
445F95.1Very high91.6Very high74 Ų7466.1 Ų66.133%0.32538%0.38SS..EExtended strand (participates in β ladder)trans-118.9151.2179.1-63-104.2000110.8C441 L442 P443 C460 S461 P462C441-F445 HydrophobicContact CB-CB 4.25Å; L442-F445 HydrophobicContact CB-CD2 4.44Å; L442-F445 WeakPolarHBondContact O-CB 3.44Å; L442-F445 PolarHBondContact O-N 2.91Å; L442-F445 VanDerWaalsContact O-N 3.16Å; P443-F445 VanDerWaalsContact C-N 3.35Å; F445-C460 HydrophobicContact CB-CB 4.21Å; F445-C460 HydrophobicContact CD1-CB 4.31Å; F445-S461 CarbonylContact C-O 3.56Å; F445-S461 VanDerWaalsContact CA-O 3.29Å; F445-S461 WeakPolarHBondContact CA-O 3.34Å; F445-P462 HydrophobicContact CD1-CB 4.11Å; F445-P462 HydrophobicContact CE1-CB 3.91Å; F445-P462 HydrophobicContact CE1-CG 4.38Å; F445-P462 HydrophobicContact CZ-CB 4.47Å
446S94.8Very high91.5Very high15 Ų1566.6 Ų66.611%0.10538%0.383CS..EExtended strand (participates in β ladder)trans-117.3152.4170.858.90000111.3S461 M474 C477S446-S461 PolarHBondContact N-O 3.44Å; S446-S461 PolarHBondContact O-N 3.4Å; S446-M474 CarbonylContact C-O 3.55Å; S446-M474 VanDerWaalsContact CA-O 3.26Å; S446-M474 WeakPolarHBondContact CA-O 3.39Å; S446-C477 VanDerWaalsContact CB-SG 3.51Å; S446-C477 PolarHBondContact OG-SG 3.41Å; S446-C477 VanDerWaalsContact OG-SG 3.42Å
447Q94.1Very high91.5Very high34 Ų3463.3 Ų63.316%0.15937%0.367CS..EExtended strand (participates in β ladder)trans-74.3128.4175.7-62.9-176.4-19.600110.6F458 D473 M474Q447-F458 HydrophobicContact CB-CB 4.22Å; Q447-F458 HydrophobicContact CB-CD2 3.97Å; Q447-F458 HydrophobicContact CB-CG 4.05Å; Q447-F458 HydrophobicContact CG-CD2 3.63Å; Q447-F458 HydrophobicContact CG-CE2 3.77Å; Q447-F458 HydrophobicContact CG-CG 4.03Å; Q447-F458 HydrophobicContact CG-CZ 4.28Å; Q447-D473 VanDerWaalsContact NE2-CG 3.28Å; Q447-D473 PolarHBondContact NE2-OD1 3.25Å; Q447-M474 PolarHBondContact N-O 3.47Å
448V92.4Very high91.5Very high65 Ų6563 Ų6339%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-112.1110.6172.9-177.20000108R450 F458 D459 S461V448-R450 PolarHBondContact O-N 2.84Å; V448-F458 CarbonylContact O-C 3.53Å; V448-F458 VanDerWaalsContact O-CA 3.26Å; V448-F458 WeakPolarHBondContact O-CA 3.32Å; V448-F458 WeakPolarHBondContact O-CB 3.33Å; V448-D459 PolarHBondContact N-O 2.86Å; V448-D459 PolarHBondContact O-N 3.15Å; V448-S461 VanDerWaalsContact CG2-CB 3.5Å
449P91.4Very high91.6Very high107 Ų10765.7 Ų65.770%0.69538%0.376SS*.EExtended strand (participates in β ladder)trans-59.1135.1178.6-22.933000111.5
450R90.9Very high91.8Very high104 Ų10460.9 Ų60.939%0.39236%0.358SS..PPolyproline II helixtrans-75.1130.8173.1-70.4-178.8-175.4159.47.1109.9V448 G452 A453 C457 D459V448-R450 PolarHBondContact O-N 2.84Å; R450-G452 PolarHBondContact O-N 2.74Å; R450-A453 HydrophobicContact CB-CB 3.68Å; R450-A453 PolarHBondContact O-N 3.09Å; R450-A453 VanDerWaalsContact O-N 3.08Å; R450-C457 PolarHBondContact N-O 2.62Å; R450-D459 WeakPolarHBondContact CG-OD2 3.19Å; R450-D459 IonicContact CZ-OD1 3.05Å; R450-D459 VanDerWaalsContact CZ-OD1 3.23Å; R450-D459 IonicContact NE-OD1 2.86Å; R450-D459 PolarHBondContact NE-OD1 2.71Å; R450-D459 IonicContact NE-OD2 3.8Å; R450-D459 PolarHBondContact NE-OD2 3.26Å; R450-D459 IonicContact NH2-OD1 2.77Å; R450-D459 PolarHBondContact NH2-OD1 2.87Å
451L89.1Confident92Very high187 Ų18760.1 Ų60.198%0.97935%0.353SS*.THydrogen-bonded Turntrans-61.2124.2-177.9-168.673.7000110.6A453L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3Å
452G85Confident92.1Very high88 Ų8863.2 Ų63.291%0.90737%0.373SS*.THydrogen-bonded Turntrans79.6-3.6-179.200000115.4R450R450-G452 PolarHBondContact O-N 2.74Å
453A87.8Confident92Very high42 Ų4258.8 Ų58.835%0.34735%0.35SS..SBendtrans-92.715817600000111.6R450 L451 C457R450-A453 HydrophobicContact CB-CB 3.68Å; R450-A453 PolarHBondContact O-N 3.09Å; R450-A453 VanDerWaalsContact O-N 3.08Å; L451-A453 VanDerWaalsContact C-N 3.26Å; L451-A453 PolarHBondContact O-N 3Å; A453-C457 HydrophobicContact CB-CB 3.78Å
454P89.4Confident91.9Very high51 Ų5159.6 Ų59.633%0.33136%0.355SS..  trans-71164.6175.829.5-33.9000112W139 C167 C456 C457W139-P454 HydrophobicContact CH2-CG 3.85Å; W139-P454 HydrophobicContact CZ3-CG 3.54Å; C167-P454 HydrophobicContact CB-CB 4.11Å; C167-P454 HydrophobicContact CB-CG 4.11Å; P454-C456 PolarHBondContact O-N 2.82Å; P454-C457 WeakPolarHBondContact O-CB 3.42Å; P454-C457 PolarHBondContact O-N 3.48Å
455H88.5Confident91.6Very high130 Ų13067.5 Ų67.560%0.60239%0.392SS*.THydrogen-bonded Turntrans-59.5-21.7-171.371.1-85.3000115.6C167 C457C167-H455 PolarHBondContact SG-CE1 2.87Å; C167-H455 PolarHBondContact SG-ND1 2.79Å; H455-C457 PolarHBondContact O-N 3.37Å
456C91.1Very high91.1Very high14 Ų1465.6 Ų65.610%0.09539%0.393CS..THydrogen-bonded Turntrans-75.3-12.1175.8-48.10000113.3G165 C167 P454G165-C456 PolarHBondContact O-SG 3.26Å; G165-C456 VanDerWaalsContact O-SG 3.4Å; C167-C456 HydrophobicContact CB-CB 3.69Å; C167-C456 WeakPolarHBondContact CB-SG 3.43Å; C167-C456 PolarHBondContact N-SG 3.07Å; C167-C456 WeakPolarHBondContact SG-CB 3.36Å; C167-C456 PolarHBondContact SG-N 2.83Å; C167-C456 CovalentContact SG-SG 2.03Å; C167-C456 PolarHBondContact SG-SG 2.79Å; P454-C456 PolarHBondContact O-N 2.82Å
457C92.8Very high91Very high5 Ų567.7 Ų67.73%0.03440%0.401CS..  trans-107.8104.2-176.8-60.60000110.3W139 C437 R450 A453 P454 H455W139-C457 VanDerWaalsContact CH2-SG 3.57Å; C437-C457 HydrophobicContact CB-CB 4.08Å; C437-C457 WeakPolarHBondContact CB-SG 3.47Å; C437-C457 WeakPolarHBondContact SG-CB 3.22Å; C437-C457 CovalentContact SG-SG 2.03Å; C437-C457 PolarHBondContact SG-SG 3.05Å; R450-C457 PolarHBondContact N-O 2.62Å; A453-C457 HydrophobicContact CB-CB 3.78Å; P454-C457 WeakPolarHBondContact O-CB 3.42Å; P454-C457 PolarHBondContact O-N 3.48Å; H455-C457 PolarHBondContact O-N 3.37Å
458F92.9Very high90.9Very high21 Ų2167.6 Ų67.69%0.09240%0.4CS..EExtended strand (participates in β ladder)trans-140.1163-178.852.6-95.9000111S438 E439 Q447 V448S438-F458 WeakPolarHBondContact CB-O 3.32Å; S438-F458 PolarHBondContact OG-N 2.93Å; S438-F458 PolarHBondContact OG-O 2.74Å; E439-F458 WeakPolarHBondContact O-CE2 3.43Å; Q447-F458 HydrophobicContact CB-CB 4.22Å; Q447-F458 HydrophobicContact CB-CD2 3.97Å; Q447-F458 HydrophobicContact CB-CG 4.05Å; Q447-F458 HydrophobicContact CG-CD2 3.63Å; Q447-F458 HydrophobicContact CG-CE2 3.77Å; Q447-F458 HydrophobicContact CG-CG 4.03Å; Q447-F458 HydrophobicContact CG-CZ 4.28Å; V448-F458 CarbonylContact O-C 3.53Å; V448-F458 VanDerWaalsContact O-CA 3.26Å; V448-F458 WeakPolarHBondContact O-CA 3.32Å; V448-F458 WeakPolarHBondContact O-CB 3.33Å
459D93.8Very high91.1Very high75 Ų7564.5 Ų64.540%0.40138%0.382SS..EExtended strand (participates in β ladder)trans-107.7148.5170.2-62.5-45.7000109.9V448 R450V448-D459 PolarHBondContact N-O 2.86Å; V448-D459 PolarHBondContact O-N 3.15Å; R450-D459 WeakPolarHBondContact CG-OD2 3.19Å; R450-D459 IonicContact CZ-OD1 3.05Å; R450-D459 VanDerWaalsContact CZ-OD1 3.23Å; R450-D459 IonicContact NE-OD1 2.86Å; R450-D459 PolarHBondContact NE-OD1 2.71Å; R450-D459 IonicContact NE-OD2 3.8Å; R450-D459 PolarHBondContact NE-OD2 3.26Å; R450-D459 IonicContact NH2-OD1 2.77Å; R450-D459 PolarHBondContact NH2-OD1 2.87Å
460C94.6Very high91.1Very high55 Ų5563.3 Ų63.337%0.37237%0.37SS..EExtended strand (participates in β ladder)trans-91.9115.2176.7-58.90000109.7C441 F445C441-C460 WeakPolarHBondContact CA-SG 3.31Å; C441-C460 HydrophobicContact CB-CB 3.86Å; C441-C460 WeakPolarHBondContact CB-SG 3.47Å; C441-C460 WeakPolarHBondContact SG-CA 3.46Å; C441-C460 WeakPolarHBondContact SG-CB 3.23Å; C441-C460 CovalentContact SG-SG 2.04Å; C441-C460 PolarHBondContact SG-SG 2.98Å; F445-C460 HydrophobicContact CB-CB 4.21Å; F445-C460 HydrophobicContact CD1-CB 4.31Å
461S93.7Very high91.1Very high51 Ų5164.4 Ų64.436%0.35738%0.379SS..EExtended strand (participates in β ladder)trans-112.6134.7178.8-172.80000110.9F445 S446 V448F445-S461 CarbonylContact C-O 3.56Å; F445-S461 VanDerWaalsContact CA-O 3.29Å; F445-S461 WeakPolarHBondContact CA-O 3.34Å; S446-S461 PolarHBondContact N-O 3.44Å; S446-S461 PolarHBondContact O-N 3.4Å; V448-S461 VanDerWaalsContact CG2-CB 3.5Å
462P94.6Very high91.3Very high66 Ų6662.7 Ų62.743%0.42936%0.36SS..EExtended strand (participates in β ladder)trans-63.2140.718026.8-34.3000110.9F445F445-P462 HydrophobicContact CD1-CB 4.11Å; F445-P462 HydrophobicContact CE1-CB 3.91Å; F445-P462 HydrophobicContact CE1-CG 4.38Å; F445-P462 HydrophobicContact CZ-CB 4.47Å
463C93.6Very high91.5Very high0 Ų060.9 Ų60.90%033%0.329CS..PPolyproline II helixtrans-58.9145.2-179.7-74.70000112.2G444 A469 C477 R490G444-C463 PolarHBondContact O-N 2.98Å; C463-A469 WeakPolarHBondContact SG-CB 3.42Å; C463-C477 WeakPolarHBondContact CA-SG 3.41Å; C463-C477 HydrophobicContact CB-CB 3.69Å; C463-C477 WeakPolarHBondContact CB-SG 3.44Å; C463-C477 WeakPolarHBondContact SG-CB 3.5Å; C463-C477 CovalentContact SG-SG 2.03Å; C463-C477 PolarHBondContact SG-SG 3.15Å; C463-R490 HydrophobicContact CB-CB 4.09Å; C463-R490 WeakPolarHBondContact O-CD 3.41Å; C463-R490 PolarHBondContact O-NE 3.19Å; C463-R490 PolarHBondContact O-NH1 3.04Å
464P91.2Very high91.7Very high66 Ų6660.3 Ų60.343%0.42932%0.32SS..PPolyproline II helixtrans-62.6164.2175.1-2334000113.4G466 Q467P464-G466 PolarHBondContact O-N 3.32Å; P464-Q467 PolarHBondContact O-N 3.03Å; P464-Q467 VanDerWaalsContact O-N 3.09Å
465E86.4Confident91.7Very high167 Ų16766.4 Ų66.478%0.7834%0.341SS*.THydrogen-bonded Turntrans-58.2139.2174.1-69.6-171.7172.100112.1Q467E465-Q467 PolarHBondContact O-N 2.84Å
466G84.4Confident91.9Very high35 Ų3569.2 Ų69.236%0.36135%0.346SS..THydrogen-bonded Turntrans76.4-0.9-175.600000114.7P464 C480P464-G466 PolarHBondContact O-N 3.32Å; G466-C480 PolarHBondContact O-N 3.01Å
467Q92.4Very high92.1Very high59 Ų5969.2 Ų69.228%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-115.4156.6174.7-59.2-177.624.400111.6P464 E465 C477 L478 L479 S486P464-Q467 PolarHBondContact O-N 3.03Å; P464-Q467 VanDerWaalsContact O-N 3.09Å; E465-Q467 PolarHBondContact O-N 2.84Å; Q467-C477 HydrophobicContact CB-CB 3.81Å; Q467-L478 CarbonylContact C-O 3.2Å; Q467-L478 WeakPolarHBondContact CA-O 3.3Å; Q467-L478 VanDerWaalsContact CB-O 3.29Å; Q467-L478 WeakPolarHBondContact CB-O 3.38Å; Q467-L479 HydrophobicContact CG-CD1 3.88Å; Q467-S486 PolarHBondContact O-OG 3.3Å
468F93.1Very high92.1Very high31 Ų3172.3 Ų72.314%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-137.9160.9-179.978-73.6000112.3D470 C477 L478 R490 C493F468-D470 HydrophobicContact CD2-CB 4.05Å; F468-D470 HydrophobicContact CE2-CB 3.91Å; F468-C477 WeakPolarHBondContact O-CA 3.43Å; F468-L478 HydrophobicContact CD1-CB 4.17Å; F468-L478 VanDerWaalsContact CD1-O 3.25Å; F468-L478 WeakPolarHBondContact CD1-O 3.24Å; F468-L478 HydrophobicContact CE1-CB 3.72Å; F468-L478 HydrophobicContact CZ-CB 4.17Å; F468-L478 HydrophobicContact CZ-CD1 4.37Å; F468-L478 PolarHBondContact N-O 3.12Å; F468-L478 PolarHBondContact O-N 3.24Å; F468-R490 CarbonylContact C-O 3.54Å; F468-R490 WeakPolarHBondContact CA-O 3.1Å; F468-R490 WeakPolarHBondContact CB-O 3.32Å; F468-C493 WeakPolarHBondContact CD1-SG 3.47Å; F468-C493 VanDerWaalsContact CE1-SG 3.53Å
469A95.4Very high92.1Very high0 Ų077.5 Ų77.50%039%0.39CS..  trans-136.4107.9167.400000109.3P443 G444 C463 M474 R490 D491P443-A469 CarbonylContact C-O 3.52Å; P443-A469 WeakPolarHBondContact CA-O 3.43Å; G444-A469 PolarHBondContact N-O 2.95Å; C463-A469 WeakPolarHBondContact SG-CB 3.42Å; A469-M474 VanDerWaalsContact CA-SD 3.55Å; A469-M474 HydrophobicContact CB-CB 4.19Å; A469-M474 HydrophobicContact CB-CG 4.36Å; A469-M474 HydrophobicContact CB-SD 3.68Å; A469-R490 PolarHBondContact N-O 3.43Å; A469-D491 WeakPolarHBondContact O-CA 3.45Å
470D92.8Very high91.8Very high83 Ų8374.7 Ų74.744%0.44438%0.376SS..  trans-87.1-19.2-175.161.5-22.6000113.7F468 D491F468-D470 HydrophobicContact CD2-CB 4.05Å; F468-D470 HydrophobicContact CE2-CB 3.91Å; D470-D491 WeakPolarHBondContact CA-O 3.31Å; D470-D491 WeakPolarHBondContact CB-O 3.19Å
471Q91.6Very high91.4Very high126 Ų12675.4 Ų75.459%0.58938%0.38SS*.SBendtrans-108.8154.9179.7-63179.910.200111.6M474Q471-M474 HydrophobicContact CB-CG 3.95Å; Q471-M474 HydrophobicContact CB-SD 4.3Å
472R92.1Very high90.5Very high151 Ų15181.6 Ų81.657%0.5740%0.401SS*.THydrogen-bonded Turntrans-64.1149.5168-71176.8179.1-100.7-1.7109.7C441 P443 M474C441-R472 WeakPolarHBondContact O-CA 3.49Å; C441-R472 WeakPolarHBondContact O-CB 3.36Å; P443-R472 HydrophobicContact CG-CG 4.45Å; R472-M474 PolarHBondContact O-N 3.43Å
473D89.6Confident89.4Confident51 Ų5184.4 Ų84.427%0.27341%0.408SS..THydrogen-bonded Turntrans58.930170.6-68.3-39.8000114.9S440 C441 Q447 K475S440-D473 VanDerWaalsContact CA-OD1 3.25Å; S440-D473 WeakPolarHBondContact CA-OD1 3.39Å; S440-D473 WeakPolarHBondContact CB-OD2 3.46Å; S440-D473 PolarHBondContact OG-OD2 3.35Å; C441-D473 PolarHBondContact N-OD1 3.01Å; C441-D473 PolarHBondContact O-N 3.19Å; C441-D473 VanDerWaalsContact O-N 3.13Å; Q447-D473 VanDerWaalsContact NE2-CG 3.28Å; Q447-D473 PolarHBondContact NE2-OD1 3.25Å; D473-K475 PolarHBondContact O-N 3.02Å
474M91.4Very high88.9Confident30 Ų3087.9 Ų87.915%0.14842%0.424CS..  trans-65.8128172.1-76.7-168.779.800111.3S446 Q447 A469 Q471 R472 R476 L478S446-M474 CarbonylContact C-O 3.55Å; S446-M474 VanDerWaalsContact CA-O 3.26Å; S446-M474 WeakPolarHBondContact CA-O 3.39Å; Q447-M474 PolarHBondContact N-O 3.47Å; A469-M474 VanDerWaalsContact CA-SD 3.55Å; A469-M474 HydrophobicContact CB-CB 4.19Å; A469-M474 HydrophobicContact CB-CG 4.36Å; A469-M474 HydrophobicContact CB-SD 3.68Å; Q471-M474 HydrophobicContact CB-CG 3.95Å; Q471-M474 HydrophobicContact CB-SD 4.3Å; R472-M474 PolarHBondContact O-N 3.43Å; M474-R476 VanDerWaalsContact C-N 3.25Å; M474-R476 PolarHBondContact O-N 3.5Å; M474-L478 HydrophobicContact CE-CD1 3.72Å; M474-L478 HydrophobicContact CE-CD2 4.49Å; M474-L478 HydrophobicContact CE-CG 3.75Å
475K90.7Very high88.5Confident179 Ų17988.8 Ų88.878%0.77842%0.42SS*.SBendtrans-67.4-23.8177.6-64.3-174.7178.9-177.90114D473D473-K475 PolarHBondContact O-N 3.02Å
476R92.1Very high88.5Confident189 Ų18981.6 Ų81.671%0.71339%0.388SS*.SBendtrans-154.5148.8179.564.6-179.6-179-179.4-0109.8M474M474-R476 VanDerWaalsContact C-N 3.25Å; M474-R476 PolarHBondContact O-N 3.5Å
477C94.1Very high88.7Confident14 Ų1480.2 Ų80.210%0.09537%0.372CS..  trans-75.2154.6171.7-53.60000111.1S446 C463 Q467 F468S446-C477 VanDerWaalsContact CB-SG 3.51Å; S446-C477 PolarHBondContact OG-SG 3.41Å; S446-C477 VanDerWaalsContact OG-SG 3.42Å; C463-C477 WeakPolarHBondContact CA-SG 3.41Å; C463-C477 HydrophobicContact CB-CB 3.69Å; C463-C477 WeakPolarHBondContact CB-SG 3.44Å; C463-C477 WeakPolarHBondContact SG-CB 3.5Å; C463-C477 CovalentContact SG-SG 2.03Å; C463-C477 PolarHBondContact SG-SG 3.15Å; Q467-C477 HydrophobicContact CB-CB 3.81Å; F468-C477 WeakPolarHBondContact O-CA 3.43Å
478L93.2Very high88.4Confident69 Ų6986.4 Ų86.436%0.36140%0.401SS..EExtended strand (participates in β ladder)trans-108.9146.3179-60.8179.4000110Q467 F468 M474Q467-L478 CarbonylContact C-O 3.2Å; Q467-L478 WeakPolarHBondContact CA-O 3.3Å; Q467-L478 VanDerWaalsContact CB-O 3.29Å; Q467-L478 WeakPolarHBondContact CB-O 3.38Å; F468-L478 HydrophobicContact CD1-CB 4.17Å; F468-L478 VanDerWaalsContact CD1-O 3.25Å; F468-L478 WeakPolarHBondContact CD1-O 3.24Å; F468-L478 HydrophobicContact CE1-CB 3.72Å; F468-L478 HydrophobicContact CZ-CB 4.17Å; F468-L478 HydrophobicContact CZ-CD1 4.37Å; F468-L478 PolarHBondContact N-O 3.12Å; F468-L478 PolarHBondContact O-N 3.24Å; M474-L478 HydrophobicContact CE-CD1 3.72Å; M474-L478 HydrophobicContact CE-CD2 4.49Å; M474-L478 HydrophobicContact CE-CG 3.75Å
479L92.5Very high88.1Confident131 Ų13189.2 Ų89.269%0.68642%0.421SS*.EExtended strand (participates in β ladder)trans-75.5136.1177-162.178.4000110.5Q467Q467-L479 HydrophobicContact CG-CD1 3.88Å
480C87.6Confident87.8Confident15 Ų1592.4 Ų92.410%0.10143%0.433CS..PPolyproline II helixtrans-65.5147172.4-77.30000111.7G466 C493G466-C480 PolarHBondContact O-N 3.01Å; C480-C493 WeakPolarHBondContact CA-SG 3.37Å; C480-C493 HydrophobicContact CB-CB 3.98Å; C480-C493 WeakPolarHBondContact CB-SG 3.05Å; C480-C493 WeakPolarHBondContact SG-CB 3.39Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 2.96Å
481P87.5Confident87.7Confident71 Ų7190.7 Ų90.746%0.46142%0.424SS..PPolyproline II helixtrans-57.7153.2171.5-23.233.7000112.4E483 Q484P481-E483 PolarHBondContact O-N 2.85Å; P481-E483 VanDerWaalsContact O-N 3.1Å; P481-Q484 CarbonylContact O-C 3.54Å; P481-Q484 PolarHBondContact O-N 3.3Å; P481-Q484 VanDerWaalsContact O-O 3.06Å
482K73.8Confident87.7Confident181 Ų18188.5 Ų88.579%0.78741%0.413SS*.THydrogen-bonded Turntrans-55.8-32.4-173.4-68.5-175.2177.8-178.30115Q484K482-Q484 VanDerWaalsContact C-N 3.27Å
483E72.3Confident87.6Confident125 Ų12582.4 Ų82.458%0.58439%0.394SS*.THydrogen-bonded Turntrans-86.1-2.4-178.4-61.4178.4169.400113P481 R496 M649P481-E483 PolarHBondContact O-N 2.85Å; P481-E483 VanDerWaalsContact O-N 3.1Å; E483-R496 PolarHBondContact O-N 3.03Å; E483-M649 HydrophobicContact CG-CE 4.45Å
484Q81.8Confident87.3Confident72 Ų7282.7 Ų82.734%0.33640%0.395SS..EExtended strand (participates in β ladder)trans-123166.1-176.1-59.5-179.9400110.1P481 K482 C493 L494P481-Q484 CarbonylContact O-C 3.54Å; P481-Q484 PolarHBondContact O-N 3.3Å; P481-Q484 VanDerWaalsContact O-O 3.06Å; K482-Q484 VanDerWaalsContact C-N 3.27Å; Q484-C493 HydrophobicContact CB-CB 3.89Å; Q484-L494 CarbonylContact C-O 3.53Å; Q484-L494 WeakPolarHBondContact CA-O 3.28Å; Q484-L494 VanDerWaalsContact CB-O 3.27Å; Q484-L494 WeakPolarHBondContact CB-O 3.39Å
485Y83.3Confident86.8Confident86 Ų8685.8 Ų85.834%0.33742%0.417SS..EExtended strand (participates in β ladder)trans-136.4154.6173.470.2-80.3000109.5C493 L494 R496Y485-C493 CarbonylContact O-C 3.55Å; Y485-C493 WeakPolarHBondContact O-CA 3.21Å; Y485-L494 HydrophobicContact CD1-CB 4.24Å; Y485-L494 VanDerWaalsContact CD1-O 3.27Å; Y485-L494 WeakPolarHBondContact CD1-O 3.2Å; Y485-L494 HydrophobicContact CE1-CB 3.76Å; Y485-L494 HydrophobicContact CE2-CB 4.4Å; Y485-L494 HydrophobicContact CE2-CD1 4.28Å; Y485-L494 PolarHBondContact N-O 2.98Å; Y485-L494 PolarHBondContact O-N 2.91Å; Y485-R496 HydrophobicContact CD1-CG 3.9Å
486S87.3Confident86.1Confident16 Ų1680 Ų8011%0.11239%0.391CS..EExtended strand (participates in β ladder)trans-63.5138.2179.7175.20000110.8Q467 R490Q467-S486 PolarHBondContact O-OG 3.3Å; S486-R490 WeakPolarHBondContact OG-CA 3.3Å
487S88.9Confident85.2Confident5 Ų575.1 Ų75.14%0.03538%0.382CS..  trans-57.3161.8166.873.10000110.8T489 R490 D491 H492S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 2.88Å; S487-T489 PolarHBondContact OG-OG1 3.24Å; S487-R490 PolarHBondContact O-N 2.98Å; S487-R490 PolarHBondContact OG-N 2.95Å; S487-D491 PolarHBondContact OG-N 2.94Å; S487-D491 PolarHBondContact OG-OD1 2.77Å; S487-H492 WeakPolarHBondContact CB-NE2 3.4Å; S487-H492 WeakPolarHBondContact CB-O 3.47Å; S487-H492 PolarHBondContact N-O 2.79Å; S487-H492 PolarHBondContact OG-N 3.43Å; S487-H492 PolarHBondContact OG-O 2.96Å
488H85.9Confident84.3Confident189 Ų18977.6 Ų77.688%0.87539%0.392SS*.THydrogen-bonded Turntrans-61.9-35.8177-174.6-85.1000112.2R490H488-R490 VanDerWaalsContact C-N 3.27Å
489T86.4Confident83.5Confident90 Ų9076 Ų7655%0.55238%0.383SS*.THydrogen-bonded Turntrans-79.1-7.6174.636.70000113.5G444 S487 D491G444-T489 WeakPolarHBondContact CA-O 3.42Å; S487-T489 VanDerWaalsContact C-N 3.26Å; S487-T489 PolarHBondContact O-N 2.88Å; S487-T489 PolarHBondContact OG-OG1 3.24Å; T489-D491 WeakPolarHBondContact CB-OD1 3.32Å; T489-D491 PolarHBondContact O-N 3.42Å; T489-D491 PolarHBondContact OG1-OD1 3.37Å
490R89.1Confident83Confident68 Ų6872.7 Ų72.726%0.25736%0.364SS..SBendtrans59.422.3178.5-48.4-173175.2160-4.9114.6G444 C463 F468 A469 S486 S487 H488G444-R490 WeakPolarHBondContact CA-O 3.43Å; C463-R490 HydrophobicContact CB-CB 4.09Å; C463-R490 WeakPolarHBondContact O-CD 3.41Å; C463-R490 PolarHBondContact O-NE 3.19Å; C463-R490 PolarHBondContact O-NH1 3.04Å; F468-R490 CarbonylContact C-O 3.54Å; F468-R490 WeakPolarHBondContact CA-O 3.1Å; F468-R490 WeakPolarHBondContact CB-O 3.32Å; A469-R490 PolarHBondContact N-O 3.43Å; S486-R490 WeakPolarHBondContact OG-CA 3.3Å; S487-R490 PolarHBondContact O-N 2.98Å; S487-R490 PolarHBondContact OG-N 2.95Å; H488-R490 VanDerWaalsContact C-N 3.27Å
491D91.2Very high82.8Confident47 Ų4772.4 Ų72.425%0.25136%0.361SS..SBendtrans-94.6-18.4-179.362.9-35.5000113P443 A469 D470 S487 T489P443-D491 HydrophobicContact CB-CB 3.82Å; A469-D491 WeakPolarHBondContact O-CA 3.45Å; D470-D491 WeakPolarHBondContact CA-O 3.31Å; D470-D491 WeakPolarHBondContact CB-O 3.19Å; S487-D491 PolarHBondContact OG-N 2.94Å; S487-D491 PolarHBondContact OG-OD1 2.77Å; T489-D491 WeakPolarHBondContact CB-OD1 3.32Å; T489-D491 PolarHBondContact O-N 3.42Å; T489-D491 PolarHBondContact OG1-OD1 3.37Å
492H90.8Very high82.7Confident79 Ų7970 Ų7037%0.36635%0.347SS..SBendtrans-153.9170.8177.858-87.9000111.4S487S487-H492 WeakPolarHBondContact CB-NE2 3.4Å; S487-H492 WeakPolarHBondContact CB-O 3.47Å; S487-H492 PolarHBondContact N-O 2.79Å; S487-H492 PolarHBondContact OG-N 3.43Å; S487-H492 PolarHBondContact OG-O 2.96Å
493C89.8Confident83.2Confident24 Ų2466 Ų6616%0.16233%0.33CS..EExtended strand (participates in β ladder)trans-104137.6175.2-57.80000110.6F468 C480 Q484 Y485F468-C493 WeakPolarHBondContact CD1-SG 3.47Å; F468-C493 VanDerWaalsContact CE1-SG 3.53Å; C480-C493 WeakPolarHBondContact CA-SG 3.37Å; C480-C493 HydrophobicContact CB-CB 3.98Å; C480-C493 WeakPolarHBondContact CB-SG 3.05Å; C480-C493 WeakPolarHBondContact SG-CB 3.39Å; C480-C493 CovalentContact SG-SG 2.05Å; C480-C493 PolarHBondContact SG-SG 2.96Å; Q484-C493 HydrophobicContact CB-CB 3.89Å; Y485-C493 CarbonylContact O-C 3.55Å; Y485-C493 WeakPolarHBondContact O-CA 3.21Å
494L84.4Confident83.7Confident57 Ų5769.2 Ų69.230%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-109.2143.3179.7-66.5172.9000110.6Q484 Y485Q484-L494 CarbonylContact C-O 3.53Å; Q484-L494 WeakPolarHBondContact CA-O 3.28Å; Q484-L494 VanDerWaalsContact CB-O 3.27Å; Q484-L494 WeakPolarHBondContact CB-O 3.39Å; Y485-L494 HydrophobicContact CD1-CB 4.24Å; Y485-L494 VanDerWaalsContact CD1-O 3.27Å; Y485-L494 WeakPolarHBondContact CD1-O 3.2Å; Y485-L494 HydrophobicContact CE1-CB 3.76Å; Y485-L494 HydrophobicContact CE2-CB 4.4Å; Y485-L494 HydrophobicContact CE2-CD1 4.28Å; Y485-L494 PolarHBondContact N-O 2.98Å; Y485-L494 PolarHBondContact O-N 2.91Å
495P80.2Confident83.9Confident95 Ų9567.4 Ų67.462%0.61734%0.337SS*.EExtended strand (participates in β ladder)trans-69.7140178.329.4-33.9000111.5
496R75.8Confident84.3Confident58 Ų5868.4 Ų68.422%0.21935%0.354CS..PPolyproline II helixtrans-74.3143.8170.6-63.8-179.4-176.2-161.10.6110.4E483 Y485 M649 I656E483-R496 PolarHBondContact O-N 3.03Å; Y485-R496 HydrophobicContact CD1-CG 3.9Å; R496-M649 PolarHBondContact NH1-O 3.26Å; R496-M649 VanDerWaalsContact NH1-O 3.12Å; R496-I656 HydrophobicContact CB-CD1 3.86Å; R496-I656 HydrophobicContact CB-CG1 3.77Å
497T72.7Confident84.4Confident85 Ų8571.9 Ų71.952%0.52137%0.371SS..EExtended strand (participates in β ladder)trans-90.4141.317751.10000111.6H655 I656T497-H655 WeakPolarHBondContact O-CA 3.43Å; T497-H655 PolarHBondContact OG1-CE1 2.77Å; T497-H655 PolarHBondContact OG1-ND1 3.19Å; T497-I656 PolarHBondContact O-N 3.24Å
498E75.7Confident84.5Confident67 Ų6771.7 Ų71.731%0.31337%0.369SS..EExtended strand (participates in β ladder)trans-79.8131.3177.6-59.7-175.1156.100110.3R566 K647 I656 I658E498-R566 IonicContact OE1-NH2 2.68Å; E498-R566 IonicContact OE2-CZ 3.74Å; E498-R566 IonicContact OE2-NE 2.85Å; E498-R566 IonicContact OE2-NH2 3.13Å; E498-R566 PolarHBondContact OE2-NH2 3.43Å; E498-K647 IonicContact OE1-NZ 2.64Å; E498-K647 PolarHBondContact OE1-NZ 2.8Å; E498-I656 CarbonylContact C-O 3.55Å; E498-I656 WeakPolarHBondContact CA-O 3.42Å; E498-I656 HydrophobicContact CG-CB 4.41Å; E498-I658 HydrophobicContact CB-CD1 3.83Å; E498-I658 HydrophobicContact CB-CG1 4.29Å; E498-I658 VanDerWaalsContact CD-CD1 3.47Å; E498-I658 HydrophobicContact CG-CD1 3.98Å; E498-I658 WeakPolarHBondContact OE2-CD1 3.41Å
499I76.1Confident84.7Confident35 Ų3568.8 Ų68.818%0.17935%0.354CS..EExtended strand (participates in β ladder)trans-119.5135.2177.661.2172.7000111.2E652 H655 I656 V657 I658I499-E652 WeakPolarHBondContact CD1-OE2 3.46Å; I499-H655 HydrophobicContact CD1-CB 3.53Å; I499-H655 HydrophobicContact CG1-CB 3.82Å; I499-H655 HydrophobicContact CG2-CB 3.96Å; I499-I656 PolarHBondContact N-O 3.3Å; I499-V657 HydrophobicContact CD1-CG2 3.71Å; I499-V657 HydrophobicContact CG1-CB 4.42Å; I499-V657 HydrophobicContact CG1-CG2 3.84Å; I499-I658 PolarHBondContact O-N 3.25Å; I499-I658 VanDerWaalsContact O-N 3.11Å
500F82.1Confident85.1Confident62 Ų6269.2 Ų69.227%0.27235%0.352SS..  trans-153.8167.7177.656.6-90.5000109.8A502 R566F500-A502 HydrophobicContact CD2-CB 4.1Å; F500-A502 HydrophobicContact CE2-CB 3.71Å; F500-A502 PolarHBondContact O-N 2.85Å; F500-A502 VanDerWaalsContact O-N 3.1Å; F500-R566 HydrophobicContact CD2-CB 4.49Å; F500-R566 HydrophobicContact CE1-CB 4.49Å; F500-R566 HydrophobicContact CE1-CG 4.43Å; F500-R566 HydrophobicContact CE2-CB 4.23Å; F500-R566 HydrophobicContact CZ-CB 4.24Å
501L83.1Confident85.3Confident8 Ų866.8 Ų66.84%0.04234%0.344CS..  trans-76.495.1177.6-166.479.9000110.1E505 L507 L511 L564 G565 K726 V729 A730 I733L501-E505 WeakPolarHBondContact CA-OE1 3.35Å; L501-E505 WeakPolarHBondContact CD1-OE1 3.39Å; L501-L507 HydrophobicContact CD1-CD2 4.04Å; L501-L511 HydrophobicContact CD2-CD1 4.44Å; L501-L564 HydrophobicContact CD2-CD2 3.71Å; L501-L564 HydrophobicContact CG-CD2 4.07Å; L501-G565 PolarHBondContact O-N 2.93Å; L501-K726 HydrophobicContact CB-CB 4.34Å; L501-K726 HydrophobicContact CD1-CB 4.45Å; L501-V729 HydrophobicContact CD2-CG1 4.25Å; L501-A730 HydrophobicContact CD1-CB 4.41Å; L501-A730 HydrophobicContact CD2-CB 4.38Å; L501-I733 HydrophobicContact CD2-CD1 3.78Å
502A85.4Confident85.4Confident21 Ų2165.1 Ų65.117%0.17434%0.337CS..  trans-87.4150.4-170.900000112.4F500 E504 E505F500-A502 HydrophobicContact CD2-CB 4.1Å; F500-A502 HydrophobicContact CE2-CB 3.71Å; F500-A502 PolarHBondContact O-N 2.85Å; F500-A502 VanDerWaalsContact O-N 3.1Å; A502-E504 PolarHBondContact O-N 2.79Å; A502-E505 PolarHBondContact N-OE1 2.68Å; A502-E505 WeakPolarHBondContact O-CG 3.27Å; A502-E505 PolarHBondContact O-N 3.2Å
503F85Confident85.6Confident97 Ų9765.4 Ų65.443%0.42534%0.341SS..THydrogen-bonded Turntrans-62.5-32.2173.2-75.9-83.6000113E505 F509 A512 L564F503-E505 VanDerWaalsContact C-N 3.33Å; F503-F509 PolarHBondContact O-N 3.14Å; F503-A512 HydrophobicContact CD1-CB 4.4Å; F503-A512 HydrophobicContact CE1-CB 4.47Å; F503-L564 HydrophobicContact CD1-CB 4.16Å; F503-L564 HydrophobicContact CD1-CD1 4.48Å; F503-L564 HydrophobicContact CD2-CB 4.34Å; F503-L564 HydrophobicContact CE1-CB 3.59Å; F503-L564 HydrophobicContact CE1-CD1 4Å; F503-L564 HydrophobicContact CE1-CG 4.37Å; F503-L564 HydrophobicContact CE2-CB 3.79Å; F503-L564 VanDerWaalsContact CE2-O 3.32Å; F503-L564 WeakPolarHBondContact CE2-O 3.34Å; F503-L564 HydrophobicContact CZ-CB 3.38Å
504E82.9Confident85.9Confident192 Ų19267 Ų6790%0.89735%0.35SS*.THydrogen-bonded Turntrans-78.5-17.6-175.2-62.8176178.100112.9A502A502-E504 PolarHBondContact O-N 2.79Å
505E85.9Confident86.4Confident35 Ų3564.3 Ų64.316%0.16434%0.335CS..SBendtrans-81.5150.5179.490.5-169.7134.900111L501 A502 F503 L507 G508 F509 K726L501-E505 WeakPolarHBondContact CA-OE1 3.35Å; L501-E505 WeakPolarHBondContact CD1-OE1 3.39Å; A502-E505 PolarHBondContact N-OE1 2.68Å; A502-E505 WeakPolarHBondContact O-CG 3.27Å; A502-E505 PolarHBondContact O-N 3.2Å; F503-E505 VanDerWaalsContact C-N 3.33Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 3.15Å; E505-L507 VanDerWaalsContact O-N 3.14Å; E505-G508 PolarHBondContact O-N 2.87Å; E505-G508 VanDerWaalsContact O-N 3.09Å; E505-F509 PolarHBondContact O-N 3.49Å; E505-K726 IonicContact OE2-NZ 2.84Å; E505-K726 PolarHBondContact OE2-NZ 2.91Å
506P91Very high87.2Confident107 Ų10764.3 Ų64.370%0.69533%0.33SS*.Hα-helixtrans-55-40.9-171.1-27.534.2000114.3I510P506-I510 WeakPolarHBondContact O-CD1 3.33Å; P506-I510 VanDerWaalsContact O-CG1 3.25Å; P506-I510 WeakPolarHBondContact O-CG1 3.31Å; P506-I510 PolarHBondContact O-N 3.25Å
507L89.3Confident88.2Confident89 Ų8966.5 Ų66.547%0.46635%0.345SS..Hα-helixtrans-67.6-45.7179.7-174.966.2000111.6L501 E505 I510 L511 A730L501-L507 HydrophobicContact CD1-CD2 4.04Å; E505-L507 VanDerWaalsContact C-N 3.29Å; E505-L507 PolarHBondContact O-N 3.15Å; E505-L507 VanDerWaalsContact O-N 3.14Å; L507-I510 PolarHBondContact O-N 2.98Å; L507-L511 HydrophobicContact CG-CD1 4.27Å; L507-L511 WeakPolarHBondContact O-CG 3.47Å; L507-L511 PolarHBondContact O-N 3.44Å; L507-L511 VanDerWaalsContact O-N 3.15Å; L507-A730 HydrophobicContact CD2-CB 3.93Å
508G90.8Very high89.2Confident0 Ų063.6 Ų63.60%033%0.326CS..Hα-helixtrans-64.5-41.2179.700000112.6E505 L511 A512E505-G508 PolarHBondContact O-N 2.87Å; E505-G508 VanDerWaalsContact O-N 3.09Å; G508-L511 PolarHBondContact O-N 3.37Å; G508-A512 WeakPolarHBondContact O-CB 3.33Å; G508-A512 PolarHBondContact O-N 2.87Å
509F91.6Very high90.2Very high129 Ų12960.8 Ų60.857%0.56631%0.314SS*.Hα-helixtrans-60.1-47175.9-178.6-98.2000112.5F503 E505 L511 A512 L513F503-F509 PolarHBondContact O-N 3.14Å; E505-F509 PolarHBondContact O-N 3.49Å; F509-L511 PolarHBondContact O-N 3.36Å; F509-A512 PolarHBondContact O-N 3.09Å; F509-L513 PolarHBondContact O-N 3.44Å
510I93.8Very high91.1Very high98 Ų9861 Ų6150%0.50333%0.326SS..Hα-helixtrans-62.3-45.2179.7-68.8166.4000110.8P506 L507 A512 L513 V514P506-I510 WeakPolarHBondContact O-CD1 3.33Å; P506-I510 VanDerWaalsContact O-CG1 3.25Å; P506-I510 WeakPolarHBondContact O-CG1 3.31Å; P506-I510 PolarHBondContact O-N 3.25Å; L507-I510 PolarHBondContact O-N 2.98Å; I510-A512 PolarHBondContact O-N 3.1Å; I510-L513 PolarHBondContact O-N 2.85Å; I510-V514 HydrophobicContact CG2-CG2 4.49Å; I510-V514 WeakPolarHBondContact O-CG2 3.19Å; I510-V514 PolarHBondContact O-N 3.32Å
511L93.3Very high91.7Very high18 Ų1862.4 Ų62.49%0.09434%0.335CS..Hα-helixtrans-63.6-41.3179.9-68.3174.6000112.1L501 L507 G508 F509 V514 A515 A730 I733 L737L501-L511 HydrophobicContact CD2-CD1 4.44Å; L507-L511 HydrophobicContact CG-CD1 4.27Å; L507-L511 WeakPolarHBondContact O-CG 3.47Å; L507-L511 PolarHBondContact O-N 3.44Å; L507-L511 VanDerWaalsContact O-N 3.15Å; G508-L511 PolarHBondContact O-N 3.37Å; F509-L511 PolarHBondContact O-N 3.36Å; L511-V514 PolarHBondContact O-N 3.05Å; L511-A515 WeakPolarHBondContact O-CB 3.29Å; L511-A515 PolarHBondContact O-N 3.29Å; L511-A730 HydrophobicContact CD1-CB 4.47Å; L511-I733 HydrophobicContact CB-CG2 4Å; L511-I733 HydrophobicContact CD1-CB 4.27Å; L511-I733 HydrophobicContact CD1-CD1 4.25Å; L511-I733 HydrophobicContact CD1-CG2 4.02Å; L511-I733 HydrophobicContact CD2-CG2 4.09Å; L511-I733 HydrophobicContact CG-CG2 4.26Å; L511-L737 HydrophobicContact CD2-CD1 4.37Å
512A94.3Very high92.2Very high12 Ų1262 Ų6210%0.09933%0.333CS..Hα-helixtrans-62.5-42.7175.700000112.1F503 G508 F509 I510 A515 L516 L561 L564F503-A512 HydrophobicContact CD1-CB 4.4Å; F503-A512 HydrophobicContact CE1-CB 4.47Å; G508-A512 WeakPolarHBondContact O-CB 3.33Å; G508-A512 PolarHBondContact O-N 2.87Å; F509-A512 PolarHBondContact O-N 3.09Å; I510-A512 PolarHBondContact O-N 3.1Å; A512-A515 WeakPolarHBondContact O-CB 3.21Å; A512-A515 PolarHBondContact O-N 3.46Å; A512-L516 WeakPolarHBondContact O-CG 3.41Å; A512-L516 PolarHBondContact O-N 3.15Å; A512-L561 HydrophobicContact CB-CD2 3.93Å; A512-L564 HydrophobicContact CB-CD1 3.93Å
513L94.9Very high92.6Very high85 Ų8564.9 Ų64.945%0.44535%0.348SS..Hα-helixtrans-62.9-46.2178.1-178.165.1000111.5F509 I510 A515 L516 L517F509-L513 PolarHBondContact O-N 3.44Å; I510-L513 PolarHBondContact O-N 2.85Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 2.88Å; L513-L516 PolarHBondContact O-N 3.15Å; L513-L517 HydrophobicContact CD1-CD1 4.36Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.05Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.49Å; L513-L517 PolarHBondContact O-N 3.03Å
514V95.6Very high93Very high58 Ų5865.6 Ų65.635%0.35236%0.356SS..Hα-helixtrans-62-41177.71740000111.1I510 L511 L517 L518 L737I510-V514 HydrophobicContact CG2-CG2 4.49Å; I510-V514 WeakPolarHBondContact O-CG2 3.19Å; I510-V514 PolarHBondContact O-N 3.32Å; L511-V514 PolarHBondContact O-N 3.05Å; V514-L517 PolarHBondContact O-N 2.94Å; V514-L518 HydrophobicContact CG1-CD1 3.88Å; V514-L518 HydrophobicContact CG1-CG 4.39Å; V514-L518 WeakPolarHBondContact O-CB 3.45Å; V514-L518 WeakPolarHBondContact O-CG 3.33Å; V514-L518 PolarHBondContact O-N 3.33Å; V514-L737 HydrophobicContact CB-CD1 4.28Å; V514-L737 HydrophobicContact CG1-CD1 4.04Å
515A95.9Very high93.4Very high0 Ų057.3 Ų57.30%032%0.319CS..Hα-helixtrans-58.2-49.2174.800000112.3L511 A512 L513 L518 A519 A557 A560 L561 L737L511-A515 WeakPolarHBondContact O-CB 3.29Å; L511-A515 PolarHBondContact O-N 3.29Å; A512-A515 WeakPolarHBondContact O-CB 3.21Å; A512-A515 PolarHBondContact O-N 3.46Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 2.88Å; A515-L518 PolarHBondContact O-N 3.04Å; A515-A519 WeakPolarHBondContact O-CB 3.45Å; A515-A519 PolarHBondContact O-N 3.48Å; A515-A557 WeakPolarHBondContact CB-O 3.29Å; A515-A560 HydrophobicContact CB-CB 4.2Å; A515-L561 HydrophobicContact CB-CD2 4.2Å; A515-L737 HydrophobicContact CB-CD1 4.43Å; A515-L737 HydrophobicContact CB-CD2 3.77Å
516L96.1Very high93.7Very high95 Ų9557 Ų5750%0.49732%0.318SS..Hα-helixtrans-65-40.8179.2-69.6173.7000112.4A512 L513 A519 G520 L558 L561A512-L516 WeakPolarHBondContact O-CG 3.41Å; A512-L516 PolarHBondContact O-N 3.15Å; L513-L516 PolarHBondContact O-N 3.15Å; L516-A519 PolarHBondContact O-N 3.13Å; L516-G520 PolarHBondContact O-N 3.09Å; L516-L558 HydrophobicContact CD2-CD2 4.14Å; L516-L561 HydrophobicContact CD2-CD1 4.04Å
517L95.9Very high93.6Very high103 Ų10353.6 Ų53.654%0.53930%0.303SS..Hα-helixtrans-64.1-45.8177.1-72.2172.8000111.7L513 V514 G520 L521L513-L517 HydrophobicContact CD1-CD1 4.36Å; L513-L517 HydrophobicContact CD1-CG 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.05Å; L513-L517 WeakPolarHBondContact O-CB 3.4Å; L513-L517 VanDerWaalsContact O-CG 3.31Å; L513-L517 WeakPolarHBondContact O-CG 3.49Å; L513-L517 PolarHBondContact O-N 3.03Å; V514-L517 PolarHBondContact O-N 2.94Å; L517-G520 PolarHBondContact O-N 3.32Å; L517-L521 WeakPolarHBondContact O-CB 3.41Å; L517-L521 VanDerWaalsContact O-CG 3.29Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.23Å
518L94.9Very high93.7Very high25 Ų2550.5 Ų50.513%0.13129%0.287CS..Hα-helixtrans-64.4-41.2177.1-75.4172.6000112.1V514 A515 L521 A522 A557 L737 A741V514-L518 HydrophobicContact CG1-CD1 3.88Å; V514-L518 HydrophobicContact CG1-CG 4.39Å; V514-L518 WeakPolarHBondContact O-CB 3.45Å; V514-L518 WeakPolarHBondContact O-CG 3.33Å; V514-L518 PolarHBondContact O-N 3.33Å; A515-L518 PolarHBondContact O-N 3.04Å; L518-L521 PolarHBondContact O-N 3.38Å; L518-A522 PolarHBondContact O-N 3.29Å; L518-A557 HydrophobicContact CB-CB 4.03Å; L518-L737 HydrophobicContact CD1-CB 4.19Å; L518-L737 HydrophobicContact CD1-CD2 4.18Å; L518-A741 HydrophobicContact CD1-CB 4.1Å; L518-A741 HydrophobicContact CD2-CB 3.85Å
519A96.4Very high93.5Very high7 Ų750.5 Ų50.56%0.05829%0.287CS..Hα-helixtrans-61.6-45.6174.800000111.5A515 L516 A522 V523 A557 L558A515-A519 WeakPolarHBondContact O-CB 3.45Å; A515-A519 PolarHBondContact O-N 3.48Å; L516-A519 PolarHBondContact O-N 3.13Å; A519-A522 PolarHBondContact O-N 3.03Å; A519-V523 WeakPolarHBondContact O-CG2 3.38Å; A519-V523 PolarHBondContact O-N 3.34Å; A519-A557 HydrophobicContact CB-CB 3.85Å; A519-L558 HydrophobicContact CB-CD2 3.87Å; A519-L558 HydrophobicContact CB-CG 3.83Å
520G95Very high93.3Very high41 Ų4148.6 Ų48.642%0.42328%0.282SS..Hα-helixtrans-62-41.7176.800000112.6L516 L517 V523 L524L516-G520 PolarHBondContact O-N 3.09Å; L517-G520 PolarHBondContact O-N 3.32Å; G520-V523 PolarHBondContact O-N 3.16Å; G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.31Å
521L94.1Very high93Very high91 Ų9152.3 Ų52.348%0.47630%0.295SS..Hα-helixtrans-61.5-44.1174.5-75.5167.3000111.8L517 L518 V523 L524 V525 L744L517-L521 WeakPolarHBondContact O-CB 3.41Å; L517-L521 VanDerWaalsContact O-CG 3.29Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.23Å; L518-L521 PolarHBondContact O-N 3.38Å; L521-V523 PolarHBondContact O-N 2.95Å; L521-L524 PolarHBondContact O-N 3.34Å; L521-V525 VanDerWaalsContact O-CG2 3.31Å; L521-V525 WeakPolarHBondContact O-CG2 3.43Å; L521-V525 PolarHBondContact O-N 3.37Å; L521-L744 HydrophobicContact CB-CD2 4.12Å
522A93.6Very high92.6Very high0 Ų054.1 Ų54.10%030%0.303CS..Hα-helixtrans-62.1-41.8176.800000112.3L518 A519 V525 L526 L744L518-A522 PolarHBondContact O-N 3.29Å; A519-A522 PolarHBondContact O-N 3.03Å; A522-V525 PolarHBondContact O-N 3.1Å; A522-L526 WeakPolarHBondContact O-CB 3.42Å; A522-L526 PolarHBondContact O-N 3.43Å; A522-L744 HydrophobicContact CB-CD1 4.14Å; A522-L744 HydrophobicContact CB-CD2 4.19Å
523V94.3Very high92Very high80 Ų8060.3 Ų60.349%0.48532%0.324SS..Hα-helixtrans-65.8-41175.8173.30000111.5A519 G520 L521 L526 G527 S554A519-V523 WeakPolarHBondContact O-CG2 3.38Å; A519-V523 PolarHBondContact O-N 3.34Å; G520-V523 PolarHBondContact O-N 3.16Å; L521-V523 PolarHBondContact O-N 2.95Å; V523-L526 WeakPolarHBondContact O-CB 3.41Å; V523-L526 PolarHBondContact O-N 3.03Å; V523-G527 PolarHBondContact O-N 3.3Å; V523-S554 WeakPolarHBondContact CG2-OG 3.46Å
524L93.6Very high91.2Very high112 Ų11261.5 Ų61.559%0.58633%0.33SS*.Hα-helixtrans-61.9-44.9176.5-177.4145000111.2G520 L521 L526 G527 V528G520-L524 WeakPolarHBondContact O-CB 3.49Å; G520-L524 PolarHBondContact O-N 3.31Å; L521-L524 PolarHBondContact O-N 3.34Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.42Å; L524-G527 PolarHBondContact O-N 3.42Å; L524-G527 VanDerWaalsContact O-N 3.16Å; L524-V528 HydrophobicContact CD2-CG2 4.47Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 3.31Å
525V92Very high90.5Very high19 Ų1959.8 Ų59.812%0.11532%0.32CS..Hα-helixtrans-61.9-41.3174.81730000111L521 A522 G527 V528 F529 L550 F748L521-V525 VanDerWaalsContact O-CG2 3.31Å; L521-V525 WeakPolarHBondContact O-CG2 3.43Å; L521-V525 PolarHBondContact O-N 3.37Å; A522-V525 PolarHBondContact O-N 3.1Å; V525-G527 VanDerWaalsContact C-N 3.32Å; V525-G527 PolarHBondContact O-N 3.16Å; V525-V528 WeakPolarHBondContact O-CB 3.46Å; V525-V528 PolarHBondContact O-N 3.49Å; V525-F529 HydrophobicContact CG1-CD2 3.97Å; V525-F529 HydrophobicContact CG1-CE2 3.94Å; V525-F529 VanDerWaalsContact O-CD2 3.31Å; V525-F529 WeakPolarHBondContact O-CD2 3.32Å; V525-F529 PolarHBondContact O-N 2.8Å; V525-L550 HydrophobicContact CB-CD2 4.03Å; V525-L550 HydrophobicContact CG1-CD1 3.95Å; V525-L550 HydrophobicContact CG1-CD2 3.61Å; V525-L550 HydrophobicContact CG1-CG 4.46Å; V525-F748 HydrophobicContact CG1-CB 3.94Å; V525-F748 HydrophobicContact CG1-CD1 4.02Å; V525-F748 HydrophobicContact CG1-CG 4.1Å
526L91.7Very high89.4Confident27 Ų2761.3 Ų61.314%0.14133%0.33CS..Hα-helixtrans-58.8-43.7173-179.161.8000111.7A522 V523 L524 V528 F529 L530 Y547 L550 I551A522-L526 WeakPolarHBondContact O-CB 3.42Å; A522-L526 PolarHBondContact O-N 3.43Å; V523-L526 WeakPolarHBondContact O-CB 3.41Å; V523-L526 PolarHBondContact O-N 3.03Å; L524-L526 VanDerWaalsContact C-N 3.33Å; L524-L526 PolarHBondContact O-N 3.42Å; L526-V528 VanDerWaalsContact C-N 3.34Å; L526-V528 PolarHBondContact O-N 3.04Å; L526-F529 PolarHBondContact O-N 3.29Å; L526-L530 HydrophobicContact CD1-CD1 4.39Å; L526-L530 HydrophobicContact CD1-CG 4.36Å; L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 HydrophobicContact CG-CG 4.48Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.89Å; L526-Y547 HydrophobicContact CD1-CD1 3.53Å; L526-Y547 HydrophobicContact CD1-CE1 4.24Å; L526-Y547 HydrophobicContact CD1-CG 4.23Å; L526-L550 HydrophobicContact CB-CB 4.14Å; L526-L550 HydrophobicContact CB-CD1 4.16Å; L526-L550 HydrophobicContact CD1-CB 4.16Å; L526-L550 HydrophobicContact CD1-CD1 4.14Å; L526-I551 HydrophobicContact CD2-CD1 4.45Å; L526-I551 HydrophobicContact CD2-CG1 3.73Å
527G89.5Confident88.3Confident37 Ų3757 Ų5738%0.38131%0.308SS..Hα-helixtrans-58.1-42.3174.100000112.9V523 L524 V525 L530 K531V523-G527 PolarHBondContact O-N 3.3Å; L524-G527 PolarHBondContact O-N 3.42Å; L524-G527 VanDerWaalsContact O-N 3.16Å; V525-G527 VanDerWaalsContact C-N 3.32Å; V525-G527 PolarHBondContact O-N 3.16Å; G527-L530 PolarHBondContact O-N 2.64Å; G527-K531 WeakPolarHBondContact O-CB 3.48Å; G527-K531 PolarHBondContact O-N 3.08Å
528V89.6Confident87.4Confident23 Ų2352.1 Ų52.114%0.13928%0.282CS..Hα-helixtrans-61.8-44.9175.1174.50000111.2L524 V525 L526 K531 H532 I755 L756L524-V528 HydrophobicContact CD2-CG2 4.47Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 3.31Å; V525-V528 WeakPolarHBondContact O-CB 3.46Å; V525-V528 PolarHBondContact O-N 3.49Å; L526-V528 VanDerWaalsContact C-N 3.34Å; L526-V528 PolarHBondContact O-N 3.04Å; V528-K531 PolarHBondContact O-N 2.98Å; V528-H532 WeakPolarHBondContact O-CB 3.4Å; V528-H532 PolarHBondContact O-N 2.9Å; V528-H532 PolarHBondContact O-ND1 3.25Å; V528-H532 VanDerWaalsContact O-ND1 3.1Å; V528-I755 HydrophobicContact CG1-CG2 4.12Å; V528-L756 HydrophobicContact CG1-CD2 4.31Å
529F86.9Confident86.4Confident1 Ų159.9 Ų59.90%0.00431%0.31CS..Hα-helixtrans-69.9-29.5179.7-87.5-115.9000113.3V525 L526 R533 V538 Y547 L550 F748 K751 I755V525-F529 HydrophobicContact CG1-CD2 3.97Å; V525-F529 HydrophobicContact CG1-CE2 3.94Å; V525-F529 VanDerWaalsContact O-CD2 3.31Å; V525-F529 WeakPolarHBondContact O-CD2 3.32Å; V525-F529 PolarHBondContact O-N 2.8Å; L526-F529 PolarHBondContact O-N 3.29Å; F529-R533 WeakPolarHBondContact O-CA 3.32Å; F529-R533 PolarHBondContact O-N 2.7Å; F529-V538 HydrophobicContact CD1-CG1 4.11Å; F529-V538 HydrophobicContact CD1-CG2 4.04Å; F529-V538 HydrophobicContact CE1-CG2 4.29Å; F529-V538 HydrophobicContact CG-CG2 4.45Å; F529-Y547 HydrophobicContact CB-CE1 4.04Å; F529-Y547 PolarHBondContact O-OH 3.21Å; F529-L550 HydrophobicContact CD2-CD1 4.48Å; F529-L550 HydrophobicContact CG-CD1 4.34Å; F529-F748 HydrophobicContact CE1-CD1 4.23Å; F529-F748 HydrophobicContact CE1-CE1 4.16Å; F529-F748 AromaticContact CE2-CD1 3.9Å; F529-F748 HydrophobicContact CE2-CD1 3.9Å; F529-F748 AromaticContact CZ-CD1 3.62Å; F529-F748 HydrophobicContact CZ-CD1 3.62Å; F529-F748 HydrophobicContact CZ-CE1 4.02Å; F529-K751 HydrophobicContact CZ-CB 4.02Å; F529-K751 HydrophobicContact CZ-CD 4.34Å; F529-I755 HydrophobicContact CE2-CD1 4.26Å; F529-I755 HydrophobicContact CZ-CD1 4.42Å
530L87.8Confident85.1Confident88 Ų8863.2 Ų63.246%0.46134%0.337SS..Hα-helixtrans-74.1-43.7172.8-72.9171000111.4L526 G527 R533 Y547L526-L530 HydrophobicContact CD1-CD1 4.39Å; L526-L530 HydrophobicContact CD1-CG 4.36Å; L526-L530 HydrophobicContact CG-CD1 4.08Å; L526-L530 HydrophobicContact CG-CG 4.48Å; L526-L530 WeakPolarHBondContact O-CG 3.42Å; L526-L530 PolarHBondContact O-N 2.89Å; G527-L530 PolarHBondContact O-N 2.64Å; L530-R533 WeakPolarHBondContact O-CB 3.29Å; L530-R533 PolarHBondContact O-N 2.75Å; L530-Y547 HydrophobicContact CD2-CD1 4.46Å; L530-Y547 HydrophobicContact CD2-CE1 3.85Å; L530-Y547 HydrophobicContact CD2-CE2 4.1Å; L530-Y547 HydrophobicContact CG-CE1 4.21Å
531K87.6Confident83.9Confident176 Ų17661.8 Ų61.877%0.76532%0.32SS*.Hα-helixtrans-63.7-41.3177.9-175.5173.3-179.5177.90112.1G527 V528G527-K531 WeakPolarHBondContact O-CB 3.48Å; G527-K531 PolarHBondContact O-N 3.08Å; V528-K531 PolarHBondContact O-N 2.98Å
532H85.1Confident83.1Confident56 Ų5659 Ų5926%0.25931%0.306SS..THydrogen-bonded Turntrans-98.828.5-179.7-6288.5000112.7V528 D534 T535 I755V528-H532 WeakPolarHBondContact O-CB 3.4Å; V528-H532 PolarHBondContact O-N 2.9Å; V528-H532 PolarHBondContact O-ND1 3.25Å; V528-H532 VanDerWaalsContact O-ND1 3.1Å; H532-D534 PolarHBondContact O-N 3.01Å; H532-D534 VanDerWaalsContact O-N 3.08Å; H532-T535 HydrophobicContact CB-CG2 3.79Å; H532-T535 WeakPolarHBondContact O-CB 3.47Å; H532-T535 WeakPolarHBondContact O-CG2 3Å; H532-T535 PolarHBondContact O-N 2.82Å; H532-T535 PolarHBondContact O-OG1 2.83Å; H532-I755 HydrophobicContact CB-CG2 4.11Å
533R80.9Confident82.5Confident142 Ų14261.9 Ų61.954%0.53632%0.317SS..THydrogen-bonded Turntrans-53.5-35.7-174.167.9-175.5-174.8-173.6-4.7113F529 L530 T535 R543F529-R533 WeakPolarHBondContact O-CA 3.32Å; F529-R533 PolarHBondContact O-N 2.7Å; L530-R533 WeakPolarHBondContact O-CB 3.29Å; L530-R533 PolarHBondContact O-N 2.75Å; R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 3.36Å; R533-R543 PolarHBondContact O-NE 3.29Å; R533-R543 PolarHBondContact O-NH2 3.35Å
534D78.6Confident82Confident110 Ų11061 Ų6159%0.58831%0.312SS*.THydrogen-bonded Turntrans-85.91.2-175.7-62.7-47.4000114.6H532 R543H532-D534 PolarHBondContact O-N 3.01Å; H532-D534 VanDerWaalsContact O-N 3.08Å; D534-R543 IonicContact OD1-CZ 3.69Å; D534-R543 IonicContact OD1-NH1 3.25Å; D534-R543 PolarHBondContact OD1-NH1 3.14Å; D534-R543 IonicContact OD1-NH2 3.32Å; D534-R543 PolarHBondContact OD1-NH2 3.24Å
535T80.3Confident81.7Confident23 Ų2355.9 Ų55.914%0.14128%0.284CS..SBendtrans-70.8144.8175.460.70000112.4H532 R533 V537 V538 R539 N762H532-T535 HydrophobicContact CB-CG2 3.79Å; H532-T535 WeakPolarHBondContact O-CB 3.47Å; H532-T535 WeakPolarHBondContact O-CG2 3Å; H532-T535 PolarHBondContact O-N 2.82Å; H532-T535 PolarHBondContact O-OG1 2.83Å; R533-T535 VanDerWaalsContact C-N 3.31Å; R533-T535 PolarHBondContact O-N 3.36Å; T535-V537 VanDerWaalsContact C-N 3.26Å; T535-V537 PolarHBondContact O-N 2.86Å; T535-V538 PolarHBondContact O-N 2.83Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.36Å; T535-R539 PolarHBondContact O-N 2.9Å; T535-R539 VanDerWaalsContact O-N 3.07Å; T535-N762 WeakPolarHBondContact CB-OD1 2.9Å; T535-N762 WeakPolarHBondContact CG2-ND2 3.27Å
536P72.7Confident81.5Confident31 Ų3155 Ų5520%0.20128%0.279CS..Hα-helixtrans-56.5-36.8179.6-26.334.2000113.8R539 A540 N762 P764 L767P536-R539 PolarHBondContact O-N 2.88Å; P536-A540 WeakPolarHBondContact O-CB 3.38Å; P536-A540 PolarHBondContact O-N 3.08Å; P536-N762 WeakPolarHBondContact CD-OD1 3.18Å; P536-P764 HydrophobicContact CG-CG 4.07Å; P536-L767 HydrophobicContact CB-CD1 3.27Å; P536-L767 HydrophobicContact CG-CD1 4.5Å
537V74.6Confident81.4Confident6 Ų655.9 Ų55.94%0.03628%0.281CS..Hα-helixtrans-63.6-42.4178.3173.10000112T535 N541 F696 I754 I755 N762T535-V537 VanDerWaalsContact C-N 3.26Å; T535-V537 PolarHBondContact O-N 2.86Å; V537-N541 WeakPolarHBondContact O-CB 3.34Å; V537-N541 PolarHBondContact O-N 3.32Å; V537-F696 HydrophobicContact CG2-CZ 4.12Å; V537-I754 HydrophobicContact CG2-CG2 4.18Å; V537-I755 HydrophobicContact CB-CG1 4.49Å; V537-I755 HydrophobicContact CG1-CD1 4.31Å; V537-I755 HydrophobicContact CG1-CG1 4.23Å; V537-N762 HydrophobicContact CG2-CB 4.49Å; V537-N762 VanDerWaalsContact CG2-OD1 3.28Å; V537-N762 WeakPolarHBondContact CG2-OD1 3.42Å
538V76.6Confident81.5Confident0 Ų058 Ų580%028%0.28CS..Hα-helixtrans-74.5-33179.6175.70000111.3F529 T535 R543 I755F529-V538 HydrophobicContact CD1-CG1 4.11Å; F529-V538 HydrophobicContact CD1-CG2 4.04Å; F529-V538 HydrophobicContact CE1-CG2 4.29Å; F529-V538 HydrophobicContact CG-CG2 4.45Å; T535-V538 PolarHBondContact O-N 2.83Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.36Å; V538-R543 HydrophobicContact CG1-CG 4.03Å; V538-R543 WeakPolarHBondContact O-CG 3.37Å; V538-I755 HydrophobicContact CG2-CD1 3.73Å
539R74.6Confident81.6Confident188 Ų18857 Ų5771%0.70927%0.273SS*.Hα-helixtrans-72.6-40.2177.2-164.1177.3-173.3168.81.2113.1T535 P536 N541T535-R539 PolarHBondContact O-N 2.9Å; T535-R539 VanDerWaalsContact O-N 3.07Å; P536-R539 PolarHBondContact O-N 2.88Å; R539-N541 PolarHBondContact O-N 3.27Å
540A68.9Low82Confident77 Ų7757 Ų5764%0.63627%0.274SS*.Hα-helixtrans-64-28.6176.800000112.3P536 N542P536-A540 WeakPolarHBondContact O-CB 3.38Å; P536-A540 PolarHBondContact O-N 3.08Å; A540-N542 PolarHBondContact O-N 3.33Å
541N68.9Low82.2Confident11 Ų1156.7 Ų56.76%0.05927%0.272CS..THydrogen-bonded Turntrans-94.929.7-175-178.530.7000114.1V537 R539 S546 K593 E698 K751V537-N541 WeakPolarHBondContact O-CB 3.34Å; V537-N541 PolarHBondContact O-N 3.32Å; R539-N541 PolarHBondContact O-N 3.27Å; N541-S546 PolarHBondContact ND2-OG 3.46Å; N541-S546 VanDerWaalsContact ND2-OG 3.12Å; N541-S546 PolarHBondContact O-OG 3.22Å; N541-K593 WeakPolarHBondContact OD1-CE 3.12Å; N541-K593 PolarHBondContact OD1-NZ 2.86Å; N541-E698 PolarHBondContact OD1-OE1 2.77Å; N541-K751 WeakPolarHBondContact ND2-CD 3.43Å; N541-K751 PolarHBondContact ND2-NZ 2.69Å; N541-K751 PolarHBondContact OD1-NZ 2.82Å
542N77.4Confident82.6Confident32 Ų3248.4 Ų48.417%0.17124%0.236CC..  trans41.387.9-179.7-167.4-21.3000114A540 T544 L545 S546A540-N542 PolarHBondContact O-N 3.33Å; N542-T544 PolarHBondContact O-N 3.08Å; N542-T544 VanDerWaalsContact O-N 3.07Å; N542-L545 HydrophobicContact CB-CD1 4.25Å; N542-L545 PolarHBondContact O-N 2.91Å; N542-L545 VanDerWaalsContact O-N 3.1Å; N542-S546 PolarHBondContact O-N 3.24Å
543R81.7Confident83Confident61 Ų6145.8 Ų45.823%0.2322%0.224CC..Hα-helixtrans-45.9-45.3-173-54.8-175.3-176.7169.9-4.1113.2R533 D534 V538 S546 Y547R533-R543 PolarHBondContact O-NE 3.29Å; R533-R543 PolarHBondContact O-NH2 3.35Å; D534-R543 IonicContact OD1-CZ 3.69Å; D534-R543 IonicContact OD1-NH1 3.25Å; D534-R543 PolarHBondContact OD1-NH1 3.14Å; D534-R543 IonicContact OD1-NH2 3.32Å; D534-R543 PolarHBondContact OD1-NH2 3.24Å; V538-R543 HydrophobicContact CG1-CG 4.03Å; V538-R543 WeakPolarHBondContact O-CG 3.37Å; R543-S546 PolarHBondContact O-N 3.02Å; R543-Y547 HydrophobicContact CB-CE2 4.03Å; R543-Y547 VanDerWaalsContact O-CD2 3.29Å; R543-Y547 WeakPolarHBondContact O-CD2 3.44Å; R543-Y547 PolarHBondContact O-N 3.46Å
544T83.8Confident83.7Confident62 Ų6239.7 Ų39.738%0.3820%0.203SC..Hα-helixtrans-62.9-45.6-176.1-51.70000112.7N542 Y547 F548N542-T544 PolarHBondContact O-N 3.08Å; N542-T544 VanDerWaalsContact O-N 3.07Å; T544-Y547 PolarHBondContact O-N 2.83Å; T544-F548 HydrophobicContact CG2-CD2 3.91Å; T544-F548 HydrophobicContact CG2-CE2 3.55Å; T544-F548 WeakPolarHBondContact O-CD2 3.46Å; T544-F548 PolarHBondContact O-N 3.41Å
545L85.9Confident84.5Confident3 Ų338.5 Ų38.52%0.01620%0.196CC..Hα-helixtrans-69.1-37.1178.3-66.6177.1000112.1N542 Y547 F548 L549 A592 K593 V623N542-L545 HydrophobicContact CB-CD1 4.25Å; N542-L545 PolarHBondContact O-N 2.91Å; N542-L545 VanDerWaalsContact O-N 3.1Å; L545-Y547 VanDerWaalsContact C-N 3.32Å; L545-Y547 PolarHBondContact O-N 3.49Å; L545-F548 PolarHBondContact O-N 2.92Å; L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.29Å; L545-L549 PolarHBondContact O-N 3.17Å; L545-A592 HydrophobicContact CD1-CB 4.07Å; L545-A592 HydrophobicContact CD2-CB 3.95Å; L545-K593 HydrophobicContact CD1-CB 4.33Å; L545-V623 HydrophobicContact CD2-CG2 3.93Å
546S88.7Confident85.1Confident1 Ų137.4 Ų37.41%0.00719%0.19CC..Hα-helixtrans-65.7-35.5176-67.60000111.8N541 N542 R543 L550N541-S546 PolarHBondContact ND2-OG 3.46Å; N541-S546 VanDerWaalsContact ND2-OG 3.12Å; N541-S546 PolarHBondContact O-OG 3.22Å; N542-S546 PolarHBondContact O-N 3.24Å; R543-S546 PolarHBondContact O-N 3.02Å; S546-L550 WeakPolarHBondContact O-CB 3.4Å; S546-L550 WeakPolarHBondContact O-CG 3.13Å; S546-L550 PolarHBondContact O-N 3.35Å
547Y90.5Very high86.2Confident46 Ų4636 Ų3618%0.1818%0.18CC..Hα-helixtrans-68.4-47.3173.3-60.7-27.2000112.5L526 F529 L530 R543 T544 L545 L549 L550 I551L526-Y547 HydrophobicContact CD1-CD1 3.53Å; L526-Y547 HydrophobicContact CD1-CE1 4.24Å; L526-Y547 HydrophobicContact CD1-CG 4.23Å; F529-Y547 HydrophobicContact CB-CE1 4.04Å; F529-Y547 PolarHBondContact O-OH 3.21Å; L530-Y547 HydrophobicContact CD2-CD1 4.46Å; L530-Y547 HydrophobicContact CD2-CE1 3.85Å; L530-Y547 HydrophobicContact CD2-CE2 4.1Å; L530-Y547 HydrophobicContact CG-CE1 4.21Å; R543-Y547 HydrophobicContact CB-CE2 4.03Å; R543-Y547 VanDerWaalsContact O-CD2 3.29Å; R543-Y547 WeakPolarHBondContact O-CD2 3.44Å; R543-Y547 PolarHBondContact O-N 3.46Å; T544-Y547 PolarHBondContact O-N 2.83Å; L545-Y547 VanDerWaalsContact C-N 3.32Å; L545-Y547 PolarHBondContact O-N 3.49Å; Y547-L549 VanDerWaalsContact C-N 3.3Å; Y547-L549 PolarHBondContact O-N 2.92Å; Y547-L550 PolarHBondContact O-N 3.06Å; Y547-I551 WeakPolarHBondContact O-CB 3.12Å; Y547-I551 VanDerWaalsContact O-CG1 3.27Å; Y547-I551 WeakPolarHBondContact O-CG1 3.4Å; Y547-I551 PolarHBondContact O-N 2.86Å
548F91.2Very high87.1Confident80 Ų8038.8 Ų38.835%0.35120%0.195SC..Hα-helixtrans-58-43.5175.4-78.3-56.4000111.9T544 L545 S552 T620T544-F548 HydrophobicContact CG2-CD2 3.91Å; T544-F548 HydrophobicContact CG2-CE2 3.55Å; T544-F548 WeakPolarHBondContact O-CD2 3.46Å; T544-F548 PolarHBondContact O-N 3.41Å; L545-F548 PolarHBondContact O-N 2.92Å; F548-S552 VanDerWaalsContact O-CB 3.3Å; F548-S552 WeakPolarHBondContact O-CB 3.49Å; F548-S552 PolarHBondContact O-N 3.44Å; F548-S552 PolarHBondContact O-OG 2.72Å; F548-S552 VanDerWaalsContact O-OG 3.06Å; F548-T620 HydrophobicContact CE2-CG2 3.85Å
549L92.2Very high88Confident2 Ų239 Ų391%0.0120%0.196CC..Hα-helixtrans-62.6-48.8177.3-176.558.1000111.8L545 Y547 S552 L553 A586 V590 I747 F748L545-L549 VanDerWaalsContact O-CB 3.31Å; L545-L549 WeakPolarHBondContact O-CB 3.29Å; L545-L549 PolarHBondContact O-N 3.17Å; Y547-L549 VanDerWaalsContact C-N 3.3Å; Y547-L549 PolarHBondContact O-N 2.92Å; L549-S552 WeakPolarHBondContact CA-OG 3.37Å; L549-S552 PolarHBondContact O-N 3Å; L549-S552 PolarHBondContact O-OG 3.5Å; L549-L553 HydrophobicContact CD1-CD1 4.1Å; L549-L553 HydrophobicContact CD1-CG 4.12Å; L549-L553 HydrophobicContact CG-CD1 4Å; L549-L553 HydrophobicContact CG-CG 4.44Å; L549-L553 WeakPolarHBondContact O-CB 3.34Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.21Å; L549-A586 HydrophobicContact CD1-CB 4.1Å; L549-A586 WeakPolarHBondContact CD1-O 3.43Å; L549-V590 HydrophobicContact CD1-CG2 3.89Å; L549-V590 HydrophobicContact CD2-CG2 3.95Å; L549-I747 HydrophobicContact CD2-CD1 3.9Å; L549-I747 HydrophobicContact CD2-CG2 4.24Å; L549-F748 HydrophobicContact CB-CZ 4.33Å; L549-F748 HydrophobicContact CD2-CE2 3.69Å; L549-F748 HydrophobicContact CD2-CZ 3.76Å; L549-F748 HydrophobicContact CG-CE2 3.95Å; L549-F748 HydrophobicContact CG-CZ 4.07Å
550L93.6Very high88.9Confident1 Ų130 Ų301%0.00516%0.162CC..Hα-helixtrans-66.1-39.5-179.6-74.1165.4000113.3V525 L526 F529 S546 Y547 L553 S554 L744 F748V525-L550 HydrophobicContact CB-CD2 4.03Å; V525-L550 HydrophobicContact CG1-CD1 3.95Å; V525-L550 HydrophobicContact CG1-CD2 3.61Å; V525-L550 HydrophobicContact CG1-CG 4.46Å; L526-L550 HydrophobicContact CB-CB 4.14Å; L526-L550 HydrophobicContact CB-CD1 4.16Å; L526-L550 HydrophobicContact CD1-CB 4.16Å; L526-L550 HydrophobicContact CD1-CD1 4.14Å; F529-L550 HydrophobicContact CD2-CD1 4.48Å; F529-L550 HydrophobicContact CG-CD1 4.34Å; S546-L550 WeakPolarHBondContact O-CB 3.4Å; S546-L550 WeakPolarHBondContact O-CG 3.13Å; S546-L550 PolarHBondContact O-N 3.35Å; Y547-L550 PolarHBondContact O-N 3.06Å; L550-L553 PolarHBondContact O-N 3.11Å; L550-S554 PolarHBondContact O-N 3.31Å; L550-L744 HydrophobicContact CD2-CD1 3.83Å; L550-F748 HydrophobicContact CD1-CD1 4.17Å; L550-F748 HydrophobicContact CD1-CE1 3.68Å; L550-F748 HydrophobicContact CD1-CZ 4.02Å; L550-F748 HydrophobicContact CD2-CD1 4.03Å; L550-F748 HydrophobicContact CD2-CD2 3.81Å; L550-F748 HydrophobicContact CD2-CE1 3.9Å; L550-F748 HydrophobicContact CD2-CE2 3.66Å; L550-F748 HydrophobicContact CD2-CG 3.99Å; L550-F748 HydrophobicContact CD2-CZ 3.7Å; L550-F748 HydrophobicContact CG-CD1 4.28Å; L550-F748 HydrophobicContact CG-CE1 3.68Å; L550-F748 HydrophobicContact CG-CE2 3.95Å; L550-F748 HydrophobicContact CG-CZ 3.49Å; L550-F748 VanDerWaalsContact CG-CZ 3.49Å
551I93.8Very high90Very high82 Ų8228.7 Ų28.742%0.42114%0.144SC..Hα-helixtrans-63.3-46.9174.5-67.1167.9000109.7L526 Y547 L553 S554 L555L526-I551 HydrophobicContact CD2-CD1 4.45Å; L526-I551 HydrophobicContact CD2-CG1 3.73Å; Y547-I551 WeakPolarHBondContact O-CB 3.12Å; Y547-I551 VanDerWaalsContact O-CG1 3.27Å; Y547-I551 WeakPolarHBondContact O-CG1 3.4Å; Y547-I551 PolarHBondContact O-N 2.86Å; I551-L553 PolarHBondContact O-N 3.39Å; I551-S554 PolarHBondContact O-N 3.4Å; I551-L555 HydrophobicContact CG2-CD1 4.12Å; I551-L555 WeakPolarHBondContact O-CG 3.44Å; I551-L555 PolarHBondContact O-N 3.36Å
552S94.7Very high91.1Very high3 Ų330.8 Ų30.82%0.02116%0.155CC..Hα-helixtrans-63-41.1177.867.40000112.4F548 L549 S554 L555 C556 V582 A586F548-S552 VanDerWaalsContact O-CB 3.3Å; F548-S552 WeakPolarHBondContact O-CB 3.49Å; F548-S552 PolarHBondContact O-N 3.44Å; F548-S552 PolarHBondContact O-OG 2.72Å; F548-S552 VanDerWaalsContact O-OG 3.06Å; L549-S552 WeakPolarHBondContact CA-OG 3.37Å; L549-S552 PolarHBondContact O-N 3Å; L549-S552 PolarHBondContact O-OG 3.5Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact O-N 2.97Å; S552-L555 CarbonylContact O-C 3.55Å; S552-L555 PolarHBondContact O-N 2.58Å; S552-C556 WeakPolarHBondContact O-CB 3.33Å; S552-C556 PolarHBondContact O-N 3.44Å; S552-C556 PolarHBondContact O-SG 3.45Å; S552-V582 WeakPolarHBondContact O-CG1 3.44Å; S552-A586 WeakPolarHBondContact OG-CA 3.33Å; S552-A586 WeakPolarHBondContact OG-CB 3.5Å
553L94.3Very high91.7Very high1 Ų129.9 Ų29.91%0.00515%0.15CC..Hα-helixtrans-65-36.1177-70.7172.2000112.5L549 L550 I551 C556 A557 T740 L743 L744 F748L549-L553 HydrophobicContact CD1-CD1 4.1Å; L549-L553 HydrophobicContact CD1-CG 4.12Å; L549-L553 HydrophobicContact CG-CD1 4Å; L549-L553 HydrophobicContact CG-CG 4.44Å; L549-L553 WeakPolarHBondContact O-CB 3.34Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.36Å; L549-L553 PolarHBondContact O-N 3.21Å; L550-L553 PolarHBondContact O-N 3.11Å; I551-L553 PolarHBondContact O-N 3.39Å; L553-C556 PolarHBondContact O-N 3.5Å; L553-A557 PolarHBondContact O-N 3.26Å; L553-T740 HydrophobicContact CB-CG2 4.25Å; L553-T740 HydrophobicContact CD2-CG2 4.06Å; L553-T740 VanDerWaalsContact O-CG2 3.28Å; L553-T740 WeakPolarHBondContact O-CG2 3.24Å; L553-L743 HydrophobicContact CD1-CB 4.31Å; L553-L743 HydrophobicContact CD2-CB 3.67Å; L553-L743 HydrophobicContact CD2-CD1 3.89Å; L553-L743 HydrophobicContact CD2-CG 4.45Å; L553-L744 HydrophobicContact CD1-CB 4.22Å; L553-L744 HydrophobicContact CD1-CD1 4.27Å; L553-F748 HydrophobicContact CD1-CE2 4.06Å
554S95Very high92.1Very high14 Ų1427.5 Ų27.510%0.09814%0.141CC..Hα-helixtrans-63-46.3172.2-175.80000111.2V523 L550 I551 S552 C556 A557 L558V523-S554 WeakPolarHBondContact CG2-OG 3.46Å; L550-S554 PolarHBondContact O-N 3.31Å; I551-S554 PolarHBondContact O-N 3.4Å; S552-S554 VanDerWaalsContact C-N 3.34Å; S552-S554 PolarHBondContact O-N 2.97Å; S554-C556 VanDerWaalsContact C-N 3.35Å; S554-C556 PolarHBondContact O-N 3.25Å; S554-A557 PolarHBondContact O-N 3.22Å; S554-L558 WeakPolarHBondContact O-CG 3.39Å; S554-L558 PolarHBondContact O-N 3.35Å
555L94.8Very high92.3Very high84 Ų8425.1 Ų25.144%0.4413%0.13SC..Hα-helixtrans-66.1-33.3175.9-67.2173.7000112.7I551 S552 L558 C559 V582I551-L555 HydrophobicContact CG2-CD1 4.12Å; I551-L555 WeakPolarHBondContact O-CG 3.44Å; I551-L555 PolarHBondContact O-N 3.36Å; S552-L555 CarbonylContact O-C 3.55Å; S552-L555 PolarHBondContact O-N 2.58Å; L555-L558 PolarHBondContact O-N 3.09Å; L555-C559 WeakPolarHBondContact O-CB 3.41Å; L555-C559 PolarHBondContact O-N 2.8Å; L555-V582 HydrophobicContact CB-CG1 3.51Å; L555-V582 HydrophobicContact CB-CG2 4.24Å
556C94.4Very high92.4Very high1 Ų131.8 Ų31.81%0.00716%0.155CC..Hα-helixtrans-63.9-39.9173.6-72.60000111.5S552 L553 S554 C559 V582 F583 I736 T740S552-C556 WeakPolarHBondContact O-CB 3.33Å; S552-C556 PolarHBondContact O-N 3.44Å; S552-C556 PolarHBondContact O-SG 3.45Å; L553-C556 PolarHBondContact O-N 3.5Å; S554-C556 VanDerWaalsContact C-N 3.35Å; S554-C556 PolarHBondContact O-N 3.25Å; C556-C559 PolarHBondContact O-SG 2.69Å; C556-V582 HydrophobicContact CB-CG1 4.46Å; C556-V582 VanDerWaalsContact SG-CG1 3.51Å; C556-F583 HydrophobicContact CB-CD2 4.03Å; C556-F583 HydrophobicContact CB-CE2 3.45Å; C556-F583 VanDerWaalsContact CB-CE2 3.45Å; C556-F583 HydrophobicContact CB-CZ 3.98Å; C556-F583 WeakPolarHBondContact SG-CD2 3.26Å; C556-F583 WeakPolarHBondContact SG-CE2 3.35Å; C556-I736 VanDerWaalsContact O-CG2 3.26Å; C556-I736 WeakPolarHBondContact O-CG2 3.37Å; C556-T740 HydrophobicContact CB-CG2 4.13Å; C556-T740 WeakPolarHBondContact CB-OG1 3.17Å
557A94.5Very high92.3Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-68.4-42.2175.100000111A515 L518 A519 L553 S554 C559 A560 T740A515-A557 WeakPolarHBondContact CB-O 3.29Å; L518-A557 HydrophobicContact CB-CB 4.03Å; A519-A557 HydrophobicContact CB-CB 3.85Å; L553-A557 PolarHBondContact O-N 3.26Å; S554-A557 PolarHBondContact O-N 3.22Å; A557-C559 PolarHBondContact O-N 3.41Å; A557-A560 WeakPolarHBondContact O-CB 3.26Å; A557-A560 PolarHBondContact O-N 2.87Å; A557-T740 HydrophobicContact CB-CG2 4.2Å
558L94.7Very high92.2Very high66 Ų6633.7 Ų33.735%0.34617%0.171SC..Hα-helixtrans-69.2-29179.2-68.4173.2000113.6L516 A519 S554 L555 A560 L561L516-L558 HydrophobicContact CD2-CD2 4.14Å; A519-L558 HydrophobicContact CB-CD2 3.87Å; A519-L558 HydrophobicContact CB-CG 3.83Å; S554-L558 WeakPolarHBondContact O-CG 3.39Å; S554-L558 PolarHBondContact O-N 3.35Å; L555-L558 PolarHBondContact O-N 3.09Å; L558-A560 PolarHBondContact O-N 3.22Å; L558-L561 HydrophobicContact CD2-CD1 4.18Å; L558-L561 WeakPolarHBondContact O-CB 3.43Å; L558-L561 PolarHBondContact O-N 3.07Å
559C94.3Very high92.1Very high3 Ų334.1 Ų34.12%0.0218%0.18CC..Hα-helixtrans-65.8-23.6-179.578.20000112.9L555 C556 A557 L561 L562 F563 T578L555-C559 WeakPolarHBondContact O-CB 3.41Å; L555-C559 PolarHBondContact O-N 2.8Å; C556-C559 PolarHBondContact O-SG 2.69Å; A557-C559 PolarHBondContact O-N 3.41Å; C559-L561 PolarHBondContact O-N 3.32Å; C559-L562 WeakPolarHBondContact O-CB 3.29Å; C559-L562 PolarHBondContact O-N 2.97Å; C559-F563 WeakPolarHBondContact O-CD2 3.4Å; C559-T578 HydrophobicContact CB-CG2 3.97Å
560A93.4Very high91.9Very high1 Ų138.3 Ų38.31%0.00821%0.206CC..G310 helixtrans-55.9-29.5171.400000113A515 A557 L558 L562 F563 I733 I736 L737A515-A560 HydrophobicContact CB-CB 4.2Å; A557-A560 WeakPolarHBondContact O-CB 3.26Å; A557-A560 PolarHBondContact O-N 2.87Å; L558-A560 PolarHBondContact O-N 3.22Å; A560-L562 VanDerWaalsContact C-N 3.25Å; A560-L562 PolarHBondContact O-N 3.18Å; A560-F563 PolarHBondContact O-N 3.21Å; A560-I733 HydrophobicContact CB-CG2 3.97Å; A560-I736 HydrophobicContact CB-CG2 4.41Å; A560-L737 HydrophobicContact CB-CD2 4.01Å; A560-L737 HydrophobicContact CB-CG 4.32Å
561L92.7Very high91.7Very high49 Ų4940 Ų4026%0.25722%0.217SC..G310 helixtrans-68.8-22.9178.6-58.8177.3000112.9A512 A515 L516 L558 C559 F563 L564A512-L561 HydrophobicContact CB-CD2 3.93Å; A515-L561 HydrophobicContact CB-CD2 4.2Å; L516-L561 HydrophobicContact CD2-CD1 4.04Å; L558-L561 HydrophobicContact CD2-CD1 4.18Å; L558-L561 WeakPolarHBondContact O-CB 3.43Å; L558-L561 PolarHBondContact O-N 3.07Å; C559-L561 PolarHBondContact O-N 3.32Å; L561-F563 PolarHBondContact O-N 2.94Å; L561-L564 HydrophobicContact CD2-CD1 4.17Å; L561-L564 PolarHBondContact O-N 2.82Å
562L91.8Very high91.5Very high54 Ų5436.1 Ų36.128%0.28320%0.197SC..G310 helixtrans-70.2-17.7176.4-62.3174.2000112.9C559 A560 L574 R575 T578C559-L562 WeakPolarHBondContact O-CB 3.29Å; C559-L562 PolarHBondContact O-N 2.97Å; A560-L562 VanDerWaalsContact C-N 3.25Å; A560-L562 PolarHBondContact O-N 3.18Å; L562-L574 HydrophobicContact CD1-CB 4.24Å; L562-R575 HydrophobicContact CB-CB 4.19Å; L562-T578 HydrophobicContact CD1-CG2 4.12Å
563F90.1Very high91.3Very high13 Ų1338.4 Ų38.46%0.05721%0.209CC..G310 helixtrans-90.2-9.9178.8-67.6-100.9000112.5C559 A560 L561 R575 F579 V729 E732 I733 I736C559-F563 WeakPolarHBondContact O-CD2 3.4Å; A560-F563 PolarHBondContact O-N 3.21Å; L561-F563 PolarHBondContact O-N 2.94Å; F563-R575 HydrophobicContact CD1-CB 4.19Å; F563-R575 HydrophobicContact CD1-CG 4.38Å; F563-R575 HydrophobicContact CD2-CB 4.11Å; F563-R575 HydrophobicContact CE1-CB 3.93Å; F563-R575 HydrophobicContact CE1-CG 3.94Å; F563-R575 HydrophobicContact CE2-CB 3.85Å; F563-R575 HydrophobicContact CG-CB 4.27Å; F563-R575 HydrophobicContact CZ-CB 3.76Å; F563-R575 HydrophobicContact CZ-CG 4.11Å; F563-F579 HydrophobicContact CE2-CB 4.48Å; F563-F579 HydrophobicContact CZ-CB 4.37Å; F563-V729 HydrophobicContact CB-CG1 3.9Å; F563-V729 HydrophobicContact CD1-CG1 4.39Å; F563-V729 VanDerWaalsContact O-CG1 3.29Å; F563-V729 WeakPolarHBondContact O-CG1 3.18Å; F563-E732 VanDerWaalsContact CD1-OE2 3.32Å; F563-E732 WeakPolarHBondContact CD1-OE2 3.12Å; F563-E732 HydrophobicContact CE1-CB 4.47Å; F563-E732 WeakPolarHBondContact CE1-OE2 3.34Å; F563-I733 HydrophobicContact CB-CD1 3.73Å; F563-I733 HydrophobicContact CB-CG1 3.65Å; F563-I733 HydrophobicContact CG-CG1 4.25Å; F563-I736 HydrophobicContact CD2-CD1 4.45Å; F563-I736 HydrophobicContact CE2-CD1 3.88Å; F563-I736 HydrophobicContact CZ-CD1 4.14Å
564L90Very high91.1Very high11 Ų1142.5 Ų42.56%0.05823%0.23CC..SBendtrans-96.7145.3-179.4-76.6156000111.7L501 F503 A512 L561 I733L501-L564 HydrophobicContact CD2-CD2 3.71Å; L501-L564 HydrophobicContact CG-CD2 4.07Å; F503-L564 HydrophobicContact CD1-CB 4.16Å; F503-L564 HydrophobicContact CD1-CD1 4.48Å; F503-L564 HydrophobicContact CD2-CB 4.34Å; F503-L564 HydrophobicContact CE1-CB 3.59Å; F503-L564 HydrophobicContact CE1-CD1 4Å; F503-L564 HydrophobicContact CE1-CG 4.37Å; F503-L564 HydrophobicContact CE2-CB 3.79Å; F503-L564 VanDerWaalsContact CE2-O 3.32Å; F503-L564 WeakPolarHBondContact CE2-O 3.34Å; F503-L564 HydrophobicContact CZ-CB 3.38Å; A512-L564 HydrophobicContact CB-CD1 3.93Å; L561-L564 HydrophobicContact CD2-CD1 4.17Å; L561-L564 PolarHBondContact O-N 2.82Å; L564-I733 HydrophobicContact CD2-CD1 4.29Å; L564-I733 HydrophobicContact CG-CD1 3.94Å
565G87.3Confident90.9Very high13 Ų1342.6 Ų42.613%0.13423%0.228CC..SBendtrans91.5-171.5178.300000113.9L501 P567L501-G565 PolarHBondContact O-N 2.93Å; G565-P567 WeakPolarHBondContact O-CD 3.42Å
566R88.1Confident90.7Very high143 Ų14339 Ų3954%0.5421%0.209SC..SBendtrans-69.6125.1-175.3-166.8178.8-169.3-169.35.2110.4E498 F500 T568E498-R566 IonicContact OE1-NH2 2.68Å; E498-R566 IonicContact OE2-CZ 3.74Å; E498-R566 IonicContact OE2-NE 2.85Å; E498-R566 IonicContact OE2-NH2 3.13Å; E498-R566 PolarHBondContact OE2-NH2 3.43Å; F500-R566 HydrophobicContact CD2-CB 4.49Å; F500-R566 HydrophobicContact CE1-CB 4.49Å; F500-R566 HydrophobicContact CE1-CG 4.43Å; F500-R566 HydrophobicContact CE2-CB 4.23Å; F500-R566 HydrophobicContact CZ-CB 4.24Å; R566-T568 PolarHBondContact O-N 3.42Å
567P87.9Confident90.6Very high25 Ų2539.7 Ų39.716%0.16221%0.213CC..  trans-58.4126.1175-28.238.2000111.8G565 I658G565-P567 WeakPolarHBondContact O-CD 3.42Å; P567-I658 HydrophobicContact CB-CG2 3.94Å; P567-I658 HydrophobicContact CG-CB 4.44Å; P567-I658 HydrophobicContact CG-CG2 3.77Å
568T88.3Confident90.5Very high61 Ų6141.6 Ų41.637%0.37423%0.225SC..  trans-122.8163.517459.90000108.6R566 T570 T571 C572R566-T568 PolarHBondContact O-N 3.42Å; T568-T570 PolarHBondContact O-N 2.83Å; T568-T570 PolarHBondContact OG1-OG1 2.91Å; T568-T570 VanDerWaalsContact OG1-OG1 3.1Å; T568-T571 PolarHBondContact N-OG1 2.95Å; T568-T571 PolarHBondContact O-N 3.01Å; T568-T571 PolarHBondContact O-OG1 3.45Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.34Å; T568-T571 PolarHBondContact OG1-N 3.22Å; T568-T571 PolarHBondContact OG1-OG1 2.86Å; T568-C572 WeakPolarHBondContact O-CB 3.47Å; T568-C572 PolarHBondContact O-N 3.44Å; T568-C572 PolarHBondContact O-SG 2.79Å
569V87.7Confident90.4Very high89 Ų8938.6 Ų38.654%0.53921%0.209SC..Hα-helixtrans-53.5-41.7177.2-178.50000110.8L573 P645V569-L573 HydrophobicContact CG1-CD1 4.13Å; V569-L573 WeakPolarHBondContact O-CD1 3.5Å; V569-L573 WeakPolarHBondContact O-CG 3.38Å; V569-L573 PolarHBondContact O-N 2.73Å; V569-P645 HydrophobicContact CG2-CG 4.07Å
570T88Confident90.4Very high90 Ų9038.5 Ų38.555%0.55221%0.209SC*.Hα-helixtrans-69.6-44.1179.852.60000112.8T568 L573 L574T568-T570 PolarHBondContact O-N 2.83Å; T568-T570 PolarHBondContact OG1-OG1 2.91Å; T568-T570 VanDerWaalsContact OG1-OG1 3.1Å; T570-L573 PolarHBondContact O-N 3.38Å; T570-L574 WeakPolarHBondContact O-CB 3.24Å; T570-L574 WeakPolarHBondContact O-CG 3.42Å; T570-L574 PolarHBondContact O-N 2.8Å; T570-L574 VanDerWaalsContact O-N 3.08Å
571T89.6Confident90.4Very high37 Ų3740.2 Ų40.223%0.22722%0.219CC..Hα-helixtrans-68.1-36.9179.557.30000111.9T568 L573 L574 R575T568-T571 PolarHBondContact N-OG1 2.95Å; T568-T571 PolarHBondContact O-N 3.01Å; T568-T571 PolarHBondContact O-OG1 3.45Å; T568-T571 WeakPolarHBondContact OG1-CG2 3.34Å; T568-T571 PolarHBondContact OG1-N 3.22Å; T568-T571 PolarHBondContact OG1-OG1 2.86Å; T571-L573 VanDerWaalsContact C-N 3.35Å; T571-L573 PolarHBondContact O-N 3.37Å; T571-L574 PolarHBondContact O-N 3.05Å; T571-R575 WeakPolarHBondContact O-CB 3.34Å; T571-R575 PolarHBondContact O-N 2.76Å
572C90Very high90.6Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-61-41.5174.9-64.60000112.7T568 P643 C660T568-C572 WeakPolarHBondContact O-CB 3.47Å; T568-C572 PolarHBondContact O-N 3.44Å; T568-C572 PolarHBondContact O-SG 2.79Å; C572-P643 HydrophobicContact CB-CB 4.29Å; C572-C660 WeakPolarHBondContact CA-SG 3.37Å; C572-C660 HydrophobicContact CB-CB 3.72Å; C572-C660 WeakPolarHBondContact CB-SG 3.37Å; C572-C660 WeakPolarHBondContact SG-CB 3.48Å; C572-C660 CovalentContact SG-SG 2.02Å; C572-C660 PolarHBondContact SG-SG 3.33Å
573L90.4Very high90.6Very high52 Ų5236.2 Ų36.227%0.27220%0.199SC..Hα-helixtrans-69.6-40.6178.5-66.5168000112.1V569 T570 T571 T577 L638 P642V569-L573 HydrophobicContact CG1-CD1 4.13Å; V569-L573 WeakPolarHBondContact O-CD1 3.5Å; V569-L573 WeakPolarHBondContact O-CG 3.38Å; V569-L573 PolarHBondContact O-N 2.73Å; T570-L573 PolarHBondContact O-N 3.38Å; T571-L573 VanDerWaalsContact C-N 3.35Å; T571-L573 PolarHBondContact O-N 3.37Å; L573-T577 WeakPolarHBondContact O-CG2 3.35Å; L573-T577 PolarHBondContact O-OG1 2.9Å; L573-L638 HydrophobicContact CD2-CD2 3.78Å; L573-P642 HydrophobicContact CD2-CB 3.81Å
574L90.2Very high90.9Very high86 Ų8635.6 Ų35.645%0.4520%0.196SC..Hα-helixtrans-83.1-31.9-172-70.5173.8000114L562 T570 T571 T577 T578L562-L574 HydrophobicContact CD1-CB 4.24Å; T570-L574 WeakPolarHBondContact O-CB 3.24Å; T570-L574 WeakPolarHBondContact O-CG 3.42Å; T570-L574 PolarHBondContact O-N 2.8Å; T570-L574 VanDerWaalsContact O-N 3.08Å; T571-L574 PolarHBondContact O-N 3.05Å; L574-T577 WeakPolarHBondContact CA-OG1 3.38Å; L574-T577 PolarHBondContact O-OG1 3.31Å; L574-T578 WeakPolarHBondContact O-CB 3.47Å; L574-T578 PolarHBondContact O-N 3.22Å; L574-T578 PolarHBondContact O-OG1 3.01Å
575R91.3Very high91.1Very high17 Ų1736.7 Ų36.76%0.06420%0.203CC..Hα-helixtrans-56.9-58.4-170.373.7-169.8179.6142.82.9112.9L562 F563 T571 F579 C660 D662L562-R575 HydrophobicContact CB-CB 4.19Å; F563-R575 HydrophobicContact CD1-CB 4.19Å; F563-R575 HydrophobicContact CD1-CG 4.38Å; F563-R575 HydrophobicContact CD2-CB 4.11Å; F563-R575 HydrophobicContact CE1-CB 3.93Å; F563-R575 HydrophobicContact CE1-CG 3.94Å; F563-R575 HydrophobicContact CE2-CB 3.85Å; F563-R575 HydrophobicContact CG-CB 4.27Å; F563-R575 HydrophobicContact CZ-CB 3.76Å; F563-R575 HydrophobicContact CZ-CG 4.11Å; T571-R575 WeakPolarHBondContact O-CB 3.34Å; T571-R575 PolarHBondContact O-N 2.76Å; R575-F579 VanDerWaalsContact O-CB 3.28Å; R575-F579 WeakPolarHBondContact O-CB 3.37Å; R575-F579 PolarHBondContact O-N 3.01Å; R575-F579 VanDerWaalsContact O-N 3.13Å; R575-C660 PolarHBondContact NH2-O 3.04Å; R575-D662 IonicContact CZ-OD1 2.66Å; R575-D662 IonicContact NH2-OD1 3.69Å; R575-D662 PolarHBondContact NH2-OD1 3.4Å
576Q90.8Very high91.4Very high8 Ų836 Ų364%0.03720%0.196CC..Hα-helixtrans-77.6-33.2-174.2-67.6-61.5-1.400111.4A580 W637 F668 E732Q576-A580 WeakPolarHBondContact O-CB 3.42Å; Q576-A580 PolarHBondContact O-N 2.99Å; Q576-W637 HydrophobicContact CB-CH2 3.59Å; Q576-W637 HydrophobicContact CB-CZ3 3.7Å; Q576-W637 HydrophobicContact CG-CH2 3.99Å; Q576-F668 HydrophobicContact CG-CE2 4.03Å; Q576-E732 PolarHBondContact NE2-OE1 3.38Å
577T91.5Very high91.7Very high15 Ų1529.2 Ų29.29%0.09217%0.171CC..Hα-helixtrans-72.1-43.4-179.356.10000111.9L573 L574 A580 V581 C634 W637 L638L573-T577 WeakPolarHBondContact O-CG2 3.35Å; L573-T577 PolarHBondContact O-OG1 2.9Å; L574-T577 WeakPolarHBondContact CA-OG1 3.38Å; L574-T577 PolarHBondContact O-OG1 3.31Å; T577-A580 PolarHBondContact O-N 3.37Å; T577-V581 WeakPolarHBondContact O-CB 3.4Å; T577-V581 WeakPolarHBondContact O-CG2 3.4Å; T577-V581 PolarHBondContact O-N 3.21Å; T577-C634 HydrophobicContact CG2-CB 4.29Å; T577-W637 HydrophobicContact CG2-CE3 4.32Å; T577-W637 HydrophobicContact CG2-CZ3 4.27Å; T577-L638 HydrophobicContact CG2-CD1 4.03Å; T577-L638 HydrophobicContact CG2-CD2 3.89Å; T577-L638 HydrophobicContact CG2-CG 3.99Å
578T92.7Very high92Very high41 Ų4128 Ų2825%0.25216%0.163SC..Hα-helixtrans-63.8-45.6174-54.70000110.1C559 L562 L574 V582C559-T578 HydrophobicContact CB-CG2 3.97Å; L562-T578 HydrophobicContact CD1-CG2 4.12Å; L574-T578 WeakPolarHBondContact O-CB 3.47Å; L574-T578 PolarHBondContact O-N 3.22Å; L574-T578 PolarHBondContact O-OG1 3.01Å; T578-V582 HydrophobicContact CG2-CG2 4.01Å; T578-V582 WeakPolarHBondContact O-CB 3.48Å; T578-V582 WeakPolarHBondContact O-CG2 3.25Å; T578-V582 PolarHBondContact O-N 3.42Å
579F93.1Very high92.1Very high3 Ų325.2 Ų25.21%0.01315%0.145CC..Hα-helixtrans-53.3-56174.1162.8-107.5000111.7F563 R575 V581 F583 L672 L675 W713 I736F563-F579 HydrophobicContact CE2-CB 4.48Å; F563-F579 HydrophobicContact CZ-CB 4.37Å; R575-F579 VanDerWaalsContact O-CB 3.28Å; R575-F579 WeakPolarHBondContact O-CB 3.37Å; R575-F579 PolarHBondContact O-N 3.01Å; R575-F579 VanDerWaalsContact O-N 3.13Å; F579-V581 PolarHBondContact O-N 3.01Å; F579-F583 AromaticContact CD2-CD2 3.4Å; F579-F583 HydrophobicContact CD2-CD2 3.4Å; F579-F583 AromaticContact CD2-CE2 3.62Å; F579-F583 HydrophobicContact CD2-CE2 3.62Å; F579-F583 HydrophobicContact CD2-CG 4.05Å; F579-F583 HydrophobicContact CD2-CZ 4.41Å; F579-F583 HydrophobicContact CE2-CB 4.25Å; F579-F583 AromaticContact CE2-CD1 3.95Å; F579-F583 HydrophobicContact CE2-CD1 3.95Å; F579-F583 AromaticContact CE2-CD2 3.35Å; F579-F583 HydrophobicContact CE2-CD2 3.35Å; F579-F583 HydrophobicContact CE2-CE1 4.13Å; F579-F583 AromaticContact CE2-CE2 3.56Å; F579-F583 HydrophobicContact CE2-CE2 3.56Å; F579-F583 AromaticContact CE2-CG 3.57Å; F579-F583 HydrophobicContact CE2-CG 3.57Å; F579-F583 AromaticContact CE2-CZ 3.96Å; F579-F583 HydrophobicContact CE2-CZ 3.96Å; F579-F583 HydrophobicContact CZ-CD2 4.44Å; F579-F583 HydrophobicContact CZ-CG 4.32Å; F579-F583 WeakPolarHBondContact O-CB 3.48Å; F579-F583 WeakPolarHBondContact O-CD2 3.38Å; F579-F583 PolarHBondContact O-N 2.85Å; F579-L672 HydrophobicContact CE1-CD2 3.81Å; F579-L675 HydrophobicContact CE1-CD2 4.16Å; F579-L675 HydrophobicContact CZ-CD2 3.84Å; F579-W713 HydrophobicContact CD2-CH2 4.49Å; F579-W713 AromaticContact CE1-CH2 3.84Å; F579-W713 HydrophobicContact CE1-CH2 3.84Å; F579-W713 HydrophobicContact CE1-CZ2 4.45Å; F579-W713 HydrophobicContact CE1-CZ3 4.28Å; F579-W713 AromaticContact CE2-CH2 3.4Å; F579-W713 HydrophobicContact CE2-CH2 3.4Å; F579-W713 AromaticContact CE2-CZ2 3.38Å; F579-W713 HydrophobicContact CE2-CZ2 3.38Å; F579-W713 AromaticContact CZ-CH2 3Å; F579-W713 HydrophobicContact CZ-CH2 3Å; F579-W713 AromaticContact CZ-CZ2 3.27Å; F579-W713 HydrophobicContact CZ-CZ2 3.27Å; F579-W713 AromaticContact CZ-CZ3 3.76Å; F579-W713 HydrophobicContact CZ-CZ3 3.76Å; F579-I736 HydrophobicContact CD2-CD1 3.68Å; F579-I736 HydrophobicContact CD2-CG1 3.66Å; F579-I736 HydrophobicContact CE2-CD1 4.25Å; F579-I736 HydrophobicContact CE2-CG1 3.75Å; F579-I736 HydrophobicContact CG-CD1 4.19Å
580A93.4Very high92.3Very high1 Ų121 Ų211%0.00812%0.12CC..Hα-helixtrans-61.7-44.7-175.800000113.1Q576 T577 T584 Q630 V671Q576-A580 WeakPolarHBondContact O-CB 3.42Å; Q576-A580 PolarHBondContact O-N 2.99Å; T577-A580 PolarHBondContact O-N 3.37Å; A580-T584 WeakPolarHBondContact O-CB 3.29Å; A580-T584 PolarHBondContact O-N 2.67Å; A580-T584 PolarHBondContact O-OG1 3.22Å; A580-Q630 HydrophobicContact CB-CG 4.38Å; A580-V671 HydrophobicContact CB-CG1 3.65Å
581V94.4Very high92.4Very high37 Ų3717.9 Ų17.922%0.22410%0.1CC..Hα-helixtrans-67.9-48.8-178.5172.70000111.1T577 F579 T584 V585 Q630 V631T577-V581 WeakPolarHBondContact O-CB 3.4Å; T577-V581 WeakPolarHBondContact O-CG2 3.4Å; T577-V581 PolarHBondContact O-N 3.21Å; F579-V581 PolarHBondContact O-N 3.01Å; V581-T584 WeakPolarHBondContact O-CB 3.5Å; V581-T584 PolarHBondContact O-N 3.49Å; V581-V585 WeakPolarHBondContact O-CG2 3.32Å; V581-V585 PolarHBondContact O-N 3.19Å; V581-V585 VanDerWaalsContact O-N 3.11Å; V581-Q630 HydrophobicContact CG2-CG 4.18Å; V581-V631 HydrophobicContact CG1-CG2 4.09Å; V581-V631 HydrophobicContact CG2-CG2 4.02Å
582V94.9Very high92.4Very high18 Ų1816.1 Ų16.111%0.1099%0.089CC..Hα-helixtrans-68-40.7-176.1-177.50000111S552 L555 C556 T578 T584 V585 A586S552-V582 WeakPolarHBondContact O-CG1 3.44Å; L555-V582 HydrophobicContact CB-CG1 3.51Å; L555-V582 HydrophobicContact CB-CG2 4.24Å; C556-V582 HydrophobicContact CB-CG1 4.46Å; C556-V582 VanDerWaalsContact SG-CG1 3.51Å; T578-V582 HydrophobicContact CG2-CG2 4.01Å; T578-V582 WeakPolarHBondContact O-CB 3.48Å; T578-V582 WeakPolarHBondContact O-CG2 3.25Å; T578-V582 PolarHBondContact O-N 3.42Å; V582-T584 VanDerWaalsContact C-N 3.31Å; V582-T584 PolarHBondContact O-N 2.67Å; V582-V585 PolarHBondContact O-N 3.02Å; V582-A586 PolarHBondContact O-N 3.35Å; V582-A586 VanDerWaalsContact O-N 3.07Å
583F93.1Very high92.1Very high1 Ų116.5 Ų16.50%0.0049%0.091CC..Hα-helixtrans-65.1-34174.2-91.5-106000112.6C556 F579 V585 A586 V587 L675 F709 W713 I736C556-F583 HydrophobicContact CB-CD2 4.03Å; C556-F583 HydrophobicContact CB-CE2 3.45Å; C556-F583 VanDerWaalsContact CB-CE2 3.45Å; C556-F583 HydrophobicContact CB-CZ 3.98Å; C556-F583 WeakPolarHBondContact SG-CD2 3.26Å; C556-F583 WeakPolarHBondContact SG-CE2 3.35Å; F579-F583 AromaticContact CD2-CD2 3.4Å; F579-F583 HydrophobicContact CD2-CD2 3.4Å; F579-F583 AromaticContact CD2-CE2 3.62Å; F579-F583 HydrophobicContact CD2-CE2 3.62Å; F579-F583 HydrophobicContact CD2-CG 4.05Å; F579-F583 HydrophobicContact CD2-CZ 4.41Å; F579-F583 HydrophobicContact CE2-CB 4.25Å; F579-F583 AromaticContact CE2-CD1 3.95Å; F579-F583 HydrophobicContact CE2-CD1 3.95Å; F579-F583 AromaticContact CE2-CD2 3.35Å; F579-F583 HydrophobicContact CE2-CD2 3.35Å; F579-F583 HydrophobicContact CE2-CE1 4.13Å; F579-F583 AromaticContact CE2-CE2 3.56Å; F579-F583 HydrophobicContact CE2-CE2 3.56Å; F579-F583 AromaticContact CE2-CG 3.57Å; F579-F583 HydrophobicContact CE2-CG 3.57Å; F579-F583 AromaticContact CE2-CZ 3.96Å; F579-F583 HydrophobicContact CE2-CZ 3.96Å; F579-F583 HydrophobicContact CZ-CD2 4.44Å; F579-F583 HydrophobicContact CZ-CG 4.32Å; F579-F583 WeakPolarHBondContact O-CB 3.48Å; F579-F583 WeakPolarHBondContact O-CD2 3.38Å; F579-F583 PolarHBondContact O-N 2.85Å; F583-V585 VanDerWaalsContact C-N 3.35Å; F583-A586 PolarHBondContact O-N 3.21Å; F583-V587 WeakPolarHBondContact O-CG2 3.22Å; F583-V587 PolarHBondContact O-N 2.88Å; F583-L675 HydrophobicContact CB-CD1 4.08Å; F583-L675 HydrophobicContact CB-CD2 4.03Å; F583-F709 AromaticContact CD1-CE2 3.57Å; F583-F709 HydrophobicContact CD1-CE2 3.57Å; F583-F709 AromaticContact CD1-CZ 3.86Å; F583-F709 HydrophobicContact CD1-CZ 3.86Å; F583-F709 AromaticContact CE1-CE2 3.64Å; F583-F709 HydrophobicContact CE1-CE2 3.64Å; F583-F709 HydrophobicContact CE1-CZ 4.29Å; F583-W713 HydrophobicContact CE1-CZ2 4.28Å; F583-I736 HydrophobicContact CE2-CG1 4.46Å; F583-I736 HydrophobicContact CE2-CG2 3.87Å; F583-I736 HydrophobicContact CZ-CB 4.37Å; F583-I736 HydrophobicContact CZ-CG2 3.96Å
584T95.3Very high91.9Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-62.6-42.6173.7-64.50000111.4A580 V581 V582 A586 S588 A626 Q630 Y674 L678A580-T584 WeakPolarHBondContact O-CB 3.29Å; A580-T584 PolarHBondContact O-N 2.67Å; A580-T584 PolarHBondContact O-OG1 3.22Å; V581-T584 WeakPolarHBondContact O-CB 3.5Å; V581-T584 PolarHBondContact O-N 3.49Å; V582-T584 VanDerWaalsContact C-N 3.31Å; V582-T584 PolarHBondContact O-N 2.67Å; T584-A586 VanDerWaalsContact C-N 3.31Å; T584-A586 PolarHBondContact O-N 3.3Å; T584-S588 WeakPolarHBondContact O-CB 3.4Å; T584-S588 PolarHBondContact O-N 3.09Å; T584-S588 PolarHBondContact O-OG 3.08Å; T584-A626 HydrophobicContact CG2-CB 4.42Å; T584-Q630 HydrophobicContact CG2-CB 3.86Å; T584-Q630 HydrophobicContact CG2-CG 4.36Å; T584-Q630 VanDerWaalsContact OG1-CG 3.31Å; T584-Q630 WeakPolarHBondContact OG1-CG 3.43Å; T584-Q630 PolarHBondContact OG1-OE1 2.93Å; T584-Q630 VanDerWaalsContact OG1-OE1 3.07Å; T584-Y674 HydrophobicContact CG2-CE1 4.25Å; T584-L678 HydrophobicContact CG2-CD2 3.9Å
585V94.7Very high91.5Very high33 Ų3312.9 Ų12.920%0.27%0.072CC..Hα-helixtrans-60.5-42.9174.4178.10000110.6V581 V582 F583 S588 S589 V623 S627V581-V585 WeakPolarHBondContact O-CG2 3.32Å; V581-V585 PolarHBondContact O-N 3.19Å; V581-V585 VanDerWaalsContact O-N 3.11Å; V582-V585 PolarHBondContact O-N 3.02Å; F583-V585 VanDerWaalsContact C-N 3.35Å; V585-S588 PolarHBondContact O-OG 3.03Å; V585-S589 VanDerWaalsContact O-CB 3.26Å; V585-S589 WeakPolarHBondContact O-CB 3.42Å; V585-S589 PolarHBondContact O-N 2.89Å; V585-S589 PolarHBondContact O-OG 3.42Å; V585-V623 HydrophobicContact CG1-CG1 4.2Å; V585-S627 WeakPolarHBondContact CG2-OG 3.49Å
586A93.9Very high90.9Very high0 Ų014.2 Ų14.20%08%0.082CC..Hα-helixtrans-63.4-54.4178.800000111.9L549 S552 V582 F583 T584 S589 V590L549-A586 HydrophobicContact CD1-CB 4.1Å; L549-A586 WeakPolarHBondContact CD1-O 3.43Å; S552-A586 WeakPolarHBondContact OG-CA 3.33Å; S552-A586 WeakPolarHBondContact OG-CB 3.5Å; V582-A586 PolarHBondContact O-N 3.35Å; V582-A586 VanDerWaalsContact O-N 3.07Å; F583-A586 PolarHBondContact O-N 3.21Å; T584-A586 VanDerWaalsContact C-N 3.31Å; T584-A586 PolarHBondContact O-N 3.3Å; A586-S589 WeakPolarHBondContact O-CB 3.37Å; A586-S589 PolarHBondContact O-N 3.3Å; A586-V590 WeakPolarHBondContact O-CG2 3.43Å; A586-V590 PolarHBondContact O-N 3.31Å; A586-V590 VanDerWaalsContact O-N 3.09Å
587V93.8Very high90.2Very high0 Ų015 Ų150%09%0.088CC..Hα-helixtrans-65.9-42.1-177.6177.90000111.3F583 S589 V590 L591 L675 L678 A679 T682 M706 F709F583-V587 WeakPolarHBondContact O-CG2 3.22Å; F583-V587 PolarHBondContact O-N 2.88Å; V587-S589 VanDerWaalsContact C-N 3.31Å; V587-S589 PolarHBondContact O-N 3.31Å; V587-V590 WeakPolarHBondContact O-CB 3.48Å; V587-V590 PolarHBondContact O-N 3.02Å; V587-V590 VanDerWaalsContact O-N 3.16Å; V587-L591 PolarHBondContact O-N 3.01Å; V587-L675 HydrophobicContact CG2-CD1 4.42Å; V587-L678 HydrophobicContact CB-CD2 4.1Å; V587-L678 HydrophobicContact CB-CG 4.49Å; V587-L678 HydrophobicContact CG1-CB 4.5Å; V587-L678 HydrophobicContact CG1-CD2 4Å; V587-L678 HydrophobicContact CG1-CG 3.84Å; V587-A679 HydrophobicContact CG1-CB 4.31Å; V587-T682 HydrophobicContact CG1-CG2 4.45Å; V587-T682 WeakPolarHBondContact CG1-OG1 3.16Å; V587-M706 HydrophobicContact CG1-CE 4.38Å; V587-F709 HydrophobicContact CG2-CE1 4.17Å; V587-F709 HydrophobicContact CG2-CE2 4.04Å; V587-F709 HydrophobicContact CG2-CZ 3.7Å
588S93.9Very high89.4Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-66.1-32176.362.20000112.7T584 V585 V590 L591 A592T584-S588 WeakPolarHBondContact O-CB 3.4Å; T584-S588 PolarHBondContact O-N 3.09Å; T584-S588 PolarHBondContact O-OG 3.08Å; V585-S588 PolarHBondContact O-OG 3.03Å; S588-V590 VanDerWaalsContact C-N 3.34Å; S588-L591 PolarHBondContact O-N 3.09Å; S588-A592 WeakPolarHBondContact O-CB 3.33Å; S588-A592 PolarHBondContact O-N 3.35Å
589S91.9Very high88.4Confident1 Ų116.2 Ų16.21%0.0079%0.093CC..Hα-helixtrans-65.6-38.8172.3-63.30000111.6V585 A586 V587 K593V585-S589 VanDerWaalsContact O-CB 3.26Å; V585-S589 WeakPolarHBondContact O-CB 3.42Å; V585-S589 PolarHBondContact O-N 2.89Å; V585-S589 PolarHBondContact O-OG 3.42Å; A586-S589 WeakPolarHBondContact O-CB 3.37Å; A586-S589 PolarHBondContact O-N 3.3Å; V587-S589 VanDerWaalsContact C-N 3.31Å; V587-S589 PolarHBondContact O-N 3.31Å; S589-K593 VanDerWaalsContact O-CB 3.24Å; S589-K593 WeakPolarHBondContact O-CB 3.34Å; S589-K593 PolarHBondContact O-N 2.95Å
590V91.3Very high87.4Confident0 Ų018.6 Ų18.60%011%0.113CC..Hα-helixtrans-65.7-42.4173178.70000110.7L549 A586 V587 S588 K593 T594 T682 L702 M706 L743 I747L549-V590 HydrophobicContact CD1-CG2 3.89Å; L549-V590 HydrophobicContact CD2-CG2 3.95Å; A586-V590 WeakPolarHBondContact O-CG2 3.43Å; A586-V590 PolarHBondContact O-N 3.31Å; A586-V590 VanDerWaalsContact O-N 3.09Å; V587-V590 WeakPolarHBondContact O-CB 3.48Å; V587-V590 PolarHBondContact O-N 3.02Å; V587-V590 VanDerWaalsContact O-N 3.16Å; S588-V590 VanDerWaalsContact C-N 3.34Å; V590-K593 WeakPolarHBondContact O-CB 3.26Å; V590-K593 PolarHBondContact O-N 3.47Å; V590-T594 WeakPolarHBondContact O-CG2 3.48Å; V590-T594 PolarHBondContact O-N 2.88Å; V590-T594 PolarHBondContact O-OG1 2.95Å; V590-T682 HydrophobicContact CB-CG2 4.09Å; V590-T682 HydrophobicContact CG1-CG2 3.72Å; V590-L702 HydrophobicContact CG1-CD1 4.07Å; V590-L702 HydrophobicContact CG1-CD2 3.61Å; V590-L702 HydrophobicContact CG1-CG 3.86Å; V590-M706 HydrophobicContact CB-SD 4.38Å; V590-M706 HydrophobicContact CG1-CG 4.02Å; V590-M706 HydrophobicContact CG1-SD 3.79Å; V590-L743 HydrophobicContact CG2-CD2 4.32Å; V590-I747 HydrophobicContact CG2-CD1 3.79Å
591L90.8Very high86Confident25 Ų2521.1 Ų21.113%0.13112%0.124CC..Hα-helixtrans-61.9-47.8175.5-178.361.8000112.7V587 S588 K593 T594 L595 L678 T682 V685V587-L591 PolarHBondContact O-N 3.01Å; S588-L591 PolarHBondContact O-N 3.09Å; L591-K593 PolarHBondContact O-N 3.39Å; L591-T594 WeakPolarHBondContact CA-OG1 3.37Å; L591-T594 PolarHBondContact O-N 3.35Å; L591-T594 PolarHBondContact O-OG1 2.62Å; L591-L595 HydrophobicContact CD1-CD1 4.16Å; L591-L595 HydrophobicContact CD1-CG 4.23Å; L591-L595 HydrophobicContact CG-CD1 4.01Å; L591-L595 HydrophobicContact CG-CG 4.48Å; L591-L595 WeakPolarHBondContact O-CB 3.01Å; L591-L595 VanDerWaalsContact O-CG 3.27Å; L591-L595 WeakPolarHBondContact O-CG 3.27Å; L591-L595 PolarHBondContact O-N 2.67Å; L591-L678 HydrophobicContact CD2-CD1 3.77Å; L591-T682 HydrophobicContact CB-CG2 4.09Å; L591-T682 WeakPolarHBondContact CB-OG1 3.3Å; L591-V685 HydrophobicContact CD1-CB 4.4Å; L591-V685 HydrophobicContact CD1-CG2 4.17Å
592A88.5Confident84.3Confident1 Ų127.6 Ų27.61%0.00815%0.149CC..Hα-helixtrans-59.2-39.5177.200000110.7L545 S588 T596 S619 V622 V623L545-A592 HydrophobicContact CD1-CB 4.07Å; L545-A592 HydrophobicContact CD2-CB 3.95Å; S588-A592 WeakPolarHBondContact O-CB 3.33Å; S588-A592 PolarHBondContact O-N 3.35Å; A592-T596 WeakPolarHBondContact O-CB 3.43Å; A592-T596 PolarHBondContact O-N 3.37Å; A592-T596 PolarHBondContact O-OG1 3.47Å; A592-S619 WeakPolarHBondContact CB-O 3.26Å; A592-V622 HydrophobicContact CB-CB 4.27Å; A592-V622 HydrophobicContact CB-CG1 4.4Å; A592-V623 HydrophobicContact CB-CG2 3.99Å
593K85Confident82.4Confident8 Ų829.6 Ų29.64%0.03516%0.161CC..Hα-helixtrans-66.5-46.5176.7-176.4176.8-177.9161.80112.7N541 L545 S589 V590 L591 T596 V597 E698 L702N541-K593 WeakPolarHBondContact OD1-CE 3.12Å; N541-K593 PolarHBondContact OD1-NZ 2.86Å; L545-K593 HydrophobicContact CD1-CB 4.33Å; S589-K593 VanDerWaalsContact O-CB 3.24Å; S589-K593 WeakPolarHBondContact O-CB 3.34Å; S589-K593 PolarHBondContact O-N 2.95Å; V590-K593 WeakPolarHBondContact O-CB 3.26Å; V590-K593 PolarHBondContact O-N 3.47Å; L591-K593 PolarHBondContact O-N 3.39Å; K593-T596 WeakPolarHBondContact O-CB 3.37Å; K593-T596 PolarHBondContact O-N 3.2Å; K593-V597 WeakPolarHBondContact O-CG2 3.25Å; K593-V597 PolarHBondContact O-N 3.46Å; K593-V597 VanDerWaalsContact O-N 3.09Å; K593-E698 WeakPolarHBondContact CE-OE1 3.08Å; K593-E698 IonicContact NZ-OE1 3.49Å; K593-E698 PolarHBondContact NZ-OE1 2.76Å; K593-L702 HydrophobicContact CD-CD1 4.25Å; K593-L702 HydrophobicContact CG-CD1 4.4Å
594T84.8Confident80.3Confident4 Ų435.4 Ų35.43%0.02520%0.197CC..Hα-helixtrans-63.9-42.3176.750.30000112.3V590 L591 T596 V597 V598 A686 L702V590-T594 WeakPolarHBondContact O-CG2 3.48Å; V590-T594 PolarHBondContact O-N 2.88Å; V590-T594 PolarHBondContact O-OG1 2.95Å; L591-T594 WeakPolarHBondContact CA-OG1 3.37Å; L591-T594 PolarHBondContact O-N 3.35Å; L591-T594 PolarHBondContact O-OG1 2.62Å; T594-T596 VanDerWaalsContact C-N 3.32Å; T594-T596 PolarHBondContact O-N 2.89Å; T594-V597 PolarHBondContact O-N 3.22Å; T594-V598 WeakPolarHBondContact O-CG2 3.5Å; T594-V598 PolarHBondContact O-N 3.18Å; T594-A686 HydrophobicContact CG2-CB 4.14Å; T594-L702 HydrophobicContact CG2-CD1 3.49Å; T594-L702 VanDerWaalsContact CG2-CD1 3.49Å; T594-L702 HydrophobicContact CG2-CD2 3.02Å; T594-L702 HydrophobicContact CG2-CG 3.86Å
595L83.3Confident77.9Confident58 Ų5845.9 Ų45.930%0.30424%0.236SC..Hα-helixtrans-59.5-45.1175.1-72.8173000110.8L591 V597 V598 L599 V685L591-L595 HydrophobicContact CD1-CD1 4.16Å; L591-L595 HydrophobicContact CD1-CG 4.23Å; L591-L595 HydrophobicContact CG-CD1 4.01Å; L591-L595 HydrophobicContact CG-CG 4.48Å; L591-L595 WeakPolarHBondContact O-CB 3.01Å; L591-L595 VanDerWaalsContact O-CG 3.27Å; L591-L595 WeakPolarHBondContact O-CG 3.27Å; L591-L595 PolarHBondContact O-N 2.67Å; L595-V597 VanDerWaalsContact C-N 3.29Å; L595-V597 PolarHBondContact O-N 3.31Å; L595-V598 PolarHBondContact O-N 3.34Å; L595-L599 HydrophobicContact CB-CD1 4.33Å; L595-L599 VanDerWaalsContact O-CB 3.27Å; L595-L599 WeakPolarHBondContact O-CB 3.28Å; L595-L599 WeakPolarHBondContact O-CD1 3.41Å; L595-L599 PolarHBondContact O-N 3.39Å; L595-V685 HydrophobicContact CD2-CG1 3.99Å; L595-V685 HydrophobicContact CD2-CG2 4.38Å; L595-V685 HydrophobicContact CG-CG1 4.41Å
596T78.4Confident75.4Confident44 Ų4450.5 Ų50.527%0.2727%0.267SS..Hα-helixtrans-56.3-44.8176.5-540000111.4A592 K593 T594 A600 S619A592-T596 WeakPolarHBondContact O-CB 3.43Å; A592-T596 PolarHBondContact O-N 3.37Å; A592-T596 PolarHBondContact O-OG1 3.47Å; K593-T596 WeakPolarHBondContact O-CB 3.37Å; K593-T596 PolarHBondContact O-N 3.2Å; T594-T596 VanDerWaalsContact C-N 3.32Å; T594-T596 PolarHBondContact O-N 2.89Å; T596-A600 WeakPolarHBondContact O-CB 3.5Å; T596-A600 PolarHBondContact O-N 3.36Å; T596-S619 PolarHBondContact OG1-OG 3.33Å
597V76.4Confident72.9Confident26 Ų2661.8 Ų61.816%0.15831%0.31CS..Hα-helixtrans-65.2-50178.1175.20000111.1K593 T594 L595 L599 A600 F601 L692 T699K593-V597 WeakPolarHBondContact O-CG2 3.25Å; K593-V597 PolarHBondContact O-N 3.46Å; K593-V597 VanDerWaalsContact O-N 3.09Å; T594-V597 PolarHBondContact O-N 3.22Å; L595-V597 VanDerWaalsContact C-N 3.29Å; L595-V597 PolarHBondContact O-N 3.31Å; V597-L599 VanDerWaalsContact C-N 3.35Å; V597-L599 PolarHBondContact O-N 3.16Å; V597-A600 PolarHBondContact O-N 3.31Å; V597-F601 HydrophobicContact CG1-CD2 4.05Å; V597-F601 HydrophobicContact CG1-CE2 3.98Å; V597-F601 VanDerWaalsContact O-CD2 3.3Å; V597-F601 WeakPolarHBondContact O-CD2 3.39Å; V597-F601 PolarHBondContact O-N 3.3Å; V597-L692 HydrophobicContact CG1-CD1 4.49Å; V597-T699 HydrophobicContact CG1-CG2 3.7Å
598V73.8Confident70.8Confident36 Ų3666.6 Ų66.622%0.21834%0.343CS..Hα-helixtrans-61.3-42.3-179.8172.80000111.8T594 L595 F601 K602 V685 A689 L692T594-V598 WeakPolarHBondContact O-CG2 3.5Å; T594-V598 PolarHBondContact O-N 3.18Å; L595-V598 PolarHBondContact O-N 3.34Å; V598-F601 PolarHBondContact O-N 2.73Å; V598-K602 WeakPolarHBondContact O-CB 3.14Å; V598-K602 PolarHBondContact O-N 3.25Å; V598-K602 VanDerWaalsContact O-N 3.1Å; V598-V685 HydrophobicContact CG2-CG1 4.27Å; V598-A689 HydrophobicContact CG2-CB 3.56Å; V598-L692 HydrophobicContact CG2-CD1 4.17Å
599L71.9Confident68.6Low45 Ų4578 Ų7824%0.23639%0.386CS..Hα-helixtrans-65.6-38.6177.2-83.4146.2000111.8L595 V597 F601 K602 V603 I610 C613L595-L599 HydrophobicContact CB-CD1 4.33Å; L595-L599 VanDerWaalsContact O-CB 3.27Å; L595-L599 WeakPolarHBondContact O-CB 3.28Å; L595-L599 WeakPolarHBondContact O-CD1 3.41Å; L595-L599 PolarHBondContact O-N 3.39Å; V597-L599 VanDerWaalsContact C-N 3.35Å; V597-L599 PolarHBondContact O-N 3.16Å; L599-F601 VanDerWaalsContact C-N 3.35Å; L599-F601 PolarHBondContact O-N 3.16Å; L599-K602 PolarHBondContact O-N 2.92Å; L599-V603 WeakPolarHBondContact O-CB 3.12Å; L599-V603 WeakPolarHBondContact O-CG2 3.06Å; L599-V603 PolarHBondContact O-N 3.38Å; L599-I610 HydrophobicContact CD2-CG2 3.69Å; L599-C613 HydrophobicContact CD2-CB 4.4Å
600A70.9Confident66.7Low53 Ų5382.6 Ų82.644%0.43841%0.41SS..Hα-helixtrans-61.5-40.2177.400000112.6T596 V597T596-A600 WeakPolarHBondContact O-CB 3.5Å; T596-A600 PolarHBondContact O-N 3.36Å; V597-A600 PolarHBondContact O-N 3.31Å
601F64.9Low64.6Low53 Ų5390.7 Ų90.723%0.23245%0.448CS..Hα-helixtrans-78.7-33.9179.5-78.2-78000113.9V597 V598 L599 T604 L692 P693 D694V597-F601 HydrophobicContact CG1-CD2 4.05Å; V597-F601 HydrophobicContact CG1-CE2 3.98Å; V597-F601 VanDerWaalsContact O-CD2 3.3Å; V597-F601 WeakPolarHBondContact O-CD2 3.39Å; V597-F601 PolarHBondContact O-N 3.3Å; V598-F601 PolarHBondContact O-N 2.73Å; L599-F601 VanDerWaalsContact C-N 3.35Å; L599-F601 PolarHBondContact O-N 3.16Å; F601-T604 PolarHBondContact O-OG1 3.07Å; F601-T604 VanDerWaalsContact O-OG1 3.05Å; F601-L692 HydrophobicContact CB-CD1 4.25Å; F601-L692 HydrophobicContact CB-CD2 3.82Å; F601-L692 HydrophobicContact CD2-CB 4.2Å; F601-L692 HydrophobicContact CD2-CD1 3.95Å; F601-L692 HydrophobicContact CD2-CD2 4.49Å; F601-L692 HydrophobicContact CD2-CG 4.45Å; F601-L692 HydrophobicContact CE2-CB 4.41Å; F601-L692 HydrophobicContact CG-CB 4.45Å; F601-L692 HydrophobicContact CG-CD1 4.32Å; F601-L692 HydrophobicContact CG-CD2 4.09Å; F601-P693 HydrophobicContact CE1-CG 4.29Å; F601-P693 WeakPolarHBondContact CE1-O 3.34Å; F601-P693 WeakPolarHBondContact CZ-O 3.3Å; F601-D694 HydrophobicContact CZ-CB 4.43Å
602K59.7Low62.6Low174 Ų17496.1 Ų96.176%0.75748%0.475SS*.Hα-helixtrans-79.7-16.1-175.7-145.2173.5-173.3176.30113.8V598 L599 T604V598-K602 WeakPolarHBondContact O-CB 3.14Å; V598-K602 PolarHBondContact O-N 3.25Å; V598-K602 VanDerWaalsContact O-N 3.1Å; L599-K602 PolarHBondContact O-N 2.92Å; K602-T604 VanDerWaalsContact C-N 3.34Å; K602-T604 PolarHBondContact O-N 3Å
603V53.3Low60.7Low59 Ų5999 Ų9936%0.35849%0.494SS..THydrogen-bonded Turntrans-83.70.5-176.7170.70000113.9L599 R605 I610 L614L599-V603 WeakPolarHBondContact O-CB 3.12Å; L599-V603 WeakPolarHBondContact O-CG2 3.06Å; L599-V603 PolarHBondContact O-N 3.38Å; V603-R605 PolarHBondContact O-N 3.08Å; V603-R605 VanDerWaalsContact O-N 3.11Å; V603-I610 HydrophobicContact CG2-CG2 4.46Å; V603-L614 HydrophobicContact CB-CD1 4.47Å; V603-L614 HydrophobicContact CG1-CD1 3.97Å; V603-L614 HydrophobicContact CG2-CD1 4.26Å
604T50.3Low59.1Low124 Ų124102.7 Ų102.776%0.76151%0.514SS*.THydrogen-bonded Turntrans-70.31.1174.345.30000115F601 K602F601-T604 PolarHBondContact O-OG1 3.07Å; F601-T604 VanDerWaalsContact O-OG1 3.05Å; K602-T604 VanDerWaalsContact C-N 3.34Å; K602-T604 PolarHBondContact O-N 3Å
605R43.9Very low57.8Low219 Ų219105.7 Ų105.783%0.82654%0.535SS*.SBendtrans-107.8125168.9-72.1-169.5179.5-174.10.7111.7V603 R607V603-R605 PolarHBondContact O-N 3.08Å; V603-R605 VanDerWaalsContact O-N 3.11Å; R605-R607 PolarHBondContact O-N 2.9Å
606P43.7Very low56.5Low131 Ų131107 Ų10785%0.85155%0.548SS*.  trans-85.396.4-171.732.8-31.7000111.9
607R40.4Very low55.8Low237 Ų237107.2 Ų107.289%0.89456%0.559SS**  trans-164.7109.4148.1-134171.9174.7167-2.7114.8R605R605-R607 PolarHBondContact O-N 2.9Å
608S50.8Low55.4Low100 Ų100107.8 Ų107.870%0.69956%0.562SS**SBendtrans83.5140.6151.792.70000122.2I610S608-I610 VanDerWaalsContact C-N 3.25Å; S608-I610 PolarHBondContact O-N 3.16Å
609R47.6Very low55.6Low239 Ų239106.7 Ų106.790%0.90256%0.556SS**SBendtrans42.8-9.1161.7-81.5-171.7-178.6-173.61.9122.2Q611R609-Q611 VanDerWaalsContact C-N 3.32Å; R609-Q611 PolarHBondContact O-N 3.07Å
610I51.2Low56Low99 Ų99105.8 Ų105.851%0.50855%0.552SS.*G310 helixtrans-85.8-4.5-178-62.7168.2000112.7L599 V603 S608 I612 C613L599-I610 HydrophobicContact CD2-CG2 3.69Å; V603-I610 HydrophobicContact CG2-CG2 4.46Å; S608-I610 VanDerWaalsContact C-N 3.25Å; S608-I610 PolarHBondContact O-N 3.16Å; I610-I612 PolarHBondContact O-N 2.85Å; I610-I612 VanDerWaalsContact O-N 3.11Å; I610-C613 HydrophobicContact CG2-CB 4.47Å; I610-C613 WeakPolarHBondContact O-CB 3.45Å; I610-C613 PolarHBondContact O-N 3.47Å
611Q46.5Very low56.7Low170 Ų170107.7 Ų107.779%0.79456%0.555SS**G310 helixtrans-66.5-15.8-176.3-139.9158.77.500114R609 C613R609-Q611 VanDerWaalsContact C-N 3.32Å; R609-Q611 PolarHBondContact O-N 3.07Å; Q611-C613 PolarHBondContact O-N 3.43Å
612I48.7Very low57.7Low138 Ų138107.6 Ų107.671%0.70856%0.558SS**G310 helixtrans-71-20173.5-63167.4000111.5I610 T618I610-I612 PolarHBondContact O-N 2.85Å; I610-I612 VanDerWaalsContact O-N 3.11Å; I612-T618 WeakPolarHBondContact O-CG2 3.31Å
613C50Low59.2Low61 Ų6199.7 Ų99.741%0.41252%0.524SS..G310 helixtrans-85.8-4.9-174.5-125.10000115.1L599 I610 Q611 T618L599-C613 HydrophobicContact CD2-CB 4.4Å; I610-C613 HydrophobicContact CG2-CB 4.47Å; I610-C613 WeakPolarHBondContact O-CB 3.45Å; I610-C613 PolarHBondContact O-N 3.47Å; Q611-C613 PolarHBondContact O-N 3.43Å; C613-T618 PolarHBondContact O-OG1 2.97Å
614L50.6Low60.9Low86 Ų86101.9 Ų101.945%0.4553%0.534SS..G310 helixtrans-93.72-177.3-84.4145.5000114.1V603V603-L614 HydrophobicContact CB-CD1 4.47Å; V603-L614 HydrophobicContact CG1-CD1 3.97Å; V603-L614 HydrophobicContact CG2-CD1 4.26Å
615S56.7Low62.9Low67 Ų67100.3 Ų100.347%0.46952%0.52SS..SBendtrans-77.4138.1175.4-178.40000110.8G617 T618S615-G617 PolarHBondContact O-N 2.82Å; S615-T618 PolarHBondContact O-N 3.31Å; S615-T618 PolarHBondContact O-OG1 3.45Å
616P57.2Low65.1Low87 Ų8790.2 Ų90.257%0.56548%0.483SS*.Hα-helixtrans-50.5-26173.9-26.233000114
617G63.7Low67.5Low48 Ų4884.8 Ų84.850%0.49545%0.448SS..Hα-helixtrans-71.6-28.3178.300000115.7S615 L621S615-G617 PolarHBondContact O-N 2.82Å; G617-L621 PolarHBondContact O-N 2.82Å
618T67.9Low70Confident38 Ų3878.9 Ų78.923%0.23343%0.434CS..Hα-helixtrans-75.9-29.1-179.1470000112.9I612 C613 S615 L621I612-T618 WeakPolarHBondContact O-CG2 3.31Å; C613-T618 PolarHBondContact O-OG1 2.97Å; S615-T618 PolarHBondContact O-N 3.31Å; S615-T618 PolarHBondContact O-OG1 3.45Å; T618-L621 WeakPolarHBondContact O-CB 3.38Å; T618-L621 PolarHBondContact O-N 2.97Å
619S76.6Confident72.1Confident12 Ų1277.5 Ų77.58%0.08442%0.418CS..Hα-helixtrans-75.3-36178.6-56.60000112.6A592 T596 L621 V622A592-S619 WeakPolarHBondContact CB-O 3.26Å; T596-S619 PolarHBondContact OG1-OG 3.33Å; S619-L621 VanDerWaalsContact C-N 3.28Å; S619-L621 PolarHBondContact O-N 3.49Å; S619-V622 PolarHBondContact O-N 2.86Å
620T81.4Confident74.4Confident26 Ų2666.1 Ų66.116%0.1638%0.375CS..Hα-helixtrans-66.4-31.7173.2-55.70000111.8F548 V622 V623 L624F548-T620 HydrophobicContact CE2-CG2 3.85Å; T620-V622 VanDerWaalsContact C-N 3.31Å; T620-V622 PolarHBondContact O-N 3.38Å; T620-V623 PolarHBondContact O-N 3.38Å; T620-L624 HydrophobicContact CG2-CD1 4.46Å; T620-L624 WeakPolarHBondContact O-CG 3.42Å; T620-L624 PolarHBondContact O-N 3.22Å; T620-L624 VanDerWaalsContact O-N 3.13Å
621L84.6Confident76.5Confident94 Ų9464.9 Ų64.949%0.49237%0.372SS..Hα-helixtrans-62.4-36176-173.165.3000112.6G617 T618 S619 V623 L624 I625G617-L621 PolarHBondContact O-N 2.82Å; T618-L621 WeakPolarHBondContact O-CB 3.38Å; T618-L621 PolarHBondContact O-N 2.97Å; S619-L621 VanDerWaalsContact C-N 3.28Å; S619-L621 PolarHBondContact O-N 3.49Å; L621-V623 VanDerWaalsContact C-N 3.35Å; L621-V623 PolarHBondContact O-N 3.49Å; L621-L624 PolarHBondContact O-N 2.89Å; L621-I625 HydrophobicContact CD1-CD1 4.19Å; L621-I625 HydrophobicContact CD1-CG1 4.33Å; L621-I625 HydrophobicContact CD2-CD1 4.37Å; L621-I625 HydrophobicContact CG-CD1 3.83Å; L621-I625 HydrophobicContact CG-CG1 4.36Å; L621-I625 WeakPolarHBondContact O-CG1 3.04Å; L621-I625 PolarHBondContact O-N 2.98Å
622V86.5Confident78.7Confident51 Ų5160.9 Ų60.931%0.30936%0.359SS..Hα-helixtrans-60.6-44.5175.91760000111.1A592 S619 T620 A626A592-V622 HydrophobicContact CB-CB 4.27Å; A592-V622 HydrophobicContact CB-CG1 4.4Å; S619-V622 PolarHBondContact O-N 2.86Å; T620-V622 VanDerWaalsContact C-N 3.31Å; T620-V622 PolarHBondContact O-N 3.38Å; V622-A626 WeakPolarHBondContact O-CB 3.4Å; V622-A626 PolarHBondContact O-N 3.19Å
623V90.8Very high80.9Confident7 Ų757.2 Ų57.24%0.04234%0.34CS..Hα-helixtrans-63-44.2177.8-179.20000110.8L545 V585 A592 T620 L621 S627L545-V623 HydrophobicContact CD2-CG2 3.93Å; V585-V623 HydrophobicContact CG1-CG1 4.2Å; A592-V623 HydrophobicContact CB-CG2 3.99Å; T620-V623 PolarHBondContact O-N 3.38Å; L621-V623 VanDerWaalsContact C-N 3.35Å; L621-V623 PolarHBondContact O-N 3.49Å; V623-S627 VanDerWaalsContact O-CB 3.25Å; V623-S627 WeakPolarHBondContact O-CB 3.37Å; V623-S627 PolarHBondContact O-N 3.48Å; V623-S627 PolarHBondContact O-OG 2.91Å
624L89.4Confident82.9Confident105 Ų10554.6 Ų54.655%0.5532%0.322SS..Hα-helixtrans-64.9-45.9179.8-69.4174.6000112.4T620 L621 S627 L628T620-L624 HydrophobicContact CG2-CD1 4.46Å; T620-L624 WeakPolarHBondContact O-CG 3.42Å; T620-L624 PolarHBondContact O-N 3.22Å; T620-L624 VanDerWaalsContact O-N 3.13Å; L621-L624 PolarHBondContact O-N 2.89Å; L624-S627 PolarHBondContact O-N 2.89Å; L624-L628 VanDerWaalsContact O-CB 3.28Å; L624-L628 WeakPolarHBondContact O-CB 3.41Å; L624-L628 PolarHBondContact O-N 3.27Å
625I91.6Very high84.9Confident92 Ų9252.3 Ų52.347%0.47232%0.32SS..Hα-helixtrans-64.4-47.6179.5-67.4170.5000110.6L621 S627 L628 I629L621-I625 HydrophobicContact CD1-CD1 4.19Å; L621-I625 HydrophobicContact CD1-CG1 4.33Å; L621-I625 HydrophobicContact CD2-CD1 4.37Å; L621-I625 HydrophobicContact CG-CD1 3.83Å; L621-I625 HydrophobicContact CG-CG1 4.36Å; L621-I625 WeakPolarHBondContact O-CG1 3.04Å; L621-I625 PolarHBondContact O-N 2.98Å; I625-S627 VanDerWaalsContact C-N 3.32Å; I625-S627 PolarHBondContact O-N 2.86Å; I625-L628 PolarHBondContact O-N 3.23Å; I625-I629 HydrophobicContact CG2-CD1 4.08Å; I625-I629 WeakPolarHBondContact O-CG1 3.48Å; I625-I629 PolarHBondContact O-N 2.89Å; I625-I629 VanDerWaalsContact O-N 3.08Å
626A92.1Very high86.5Confident7 Ų753 Ų536%0.05832%0.321CS..Hα-helixtrans-61.3-42.7179.500000111.8T584 V622 I629 Q630 Y674 L678T584-A626 HydrophobicContact CG2-CB 4.42Å; V622-A626 WeakPolarHBondContact O-CB 3.4Å; V622-A626 PolarHBondContact O-N 3.19Å; A626-I629 PolarHBondContact O-N 3.12Å; A626-Q630 PolarHBondContact O-N 3.44Å; A626-Y674 WeakPolarHBondContact CA-OH 3.22Å; A626-Y674 PolarHBondContact O-OH 3.45Å; A626-L678 HydrophobicContact CB-CD1 4.5Å
627S93Very high88.2Confident16 Ų1649 Ų4911%0.11230%0.295CS..Hα-helixtrans-67.7-38.5178.2-54.10000112V585 V623 L624 I625 I629 Q630 V631V585-S627 WeakPolarHBondContact CG2-OG 3.49Å; V623-S627 VanDerWaalsContact O-CB 3.25Å; V623-S627 WeakPolarHBondContact O-CB 3.37Å; V623-S627 PolarHBondContact O-N 3.48Å; V623-S627 PolarHBondContact O-OG 2.91Å; L624-S627 PolarHBondContact O-N 2.89Å; I625-S627 VanDerWaalsContact C-N 3.32Å; I625-S627 PolarHBondContact O-N 2.86Å; S627-I629 PolarHBondContact O-N 3.14Å; S627-Q630 PolarHBondContact O-N 3.34Å; S627-V631 WeakPolarHBondContact O-CG2 3.39Å; S627-V631 PolarHBondContact O-N 3.36Å
628L93.9Very high89.5Confident113 Ų11349.5 Ų49.559%0.59229%0.286SS*.Hα-helixtrans-62.9-42.2177.2-17764.1000111.6L624 I625 Q630 V631 V632L624-L628 VanDerWaalsContact O-CB 3.28Å; L624-L628 WeakPolarHBondContact O-CB 3.41Å; L624-L628 PolarHBondContact O-N 3.27Å; I625-L628 PolarHBondContact O-N 3.23Å; L628-Q630 VanDerWaalsContact C-N 3.33Å; L628-Q630 PolarHBondContact O-N 2.69Å; L628-V631 PolarHBondContact O-N 3.15Å; L628-V632 WeakPolarHBondContact O-CG2 3.07Å; L628-V632 PolarHBondContact O-N 2.74Å
629I94.2Very high90.5Very high72 Ų7251.8 Ų51.837%0.36931%0.308SS..Hα-helixtrans-59.1-46.5175.3-66.2165000110.2I625 A626 S627 V631 V632 L633 Y674I625-I629 HydrophobicContact CG2-CD1 4.08Å; I625-I629 WeakPolarHBondContact O-CG1 3.48Å; I625-I629 PolarHBondContact O-N 2.89Å; I625-I629 VanDerWaalsContact O-N 3.08Å; A626-I629 PolarHBondContact O-N 3.12Å; S627-I629 PolarHBondContact O-N 3.14Å; I629-V631 PolarHBondContact O-N 3.45Å; I629-V632 PolarHBondContact O-N 2.68Å; I629-L633 HydrophobicContact CG2-CD1 4.22Å; I629-L633 WeakPolarHBondContact O-CG 3.25Å; I629-L633 PolarHBondContact O-N 2.72Å; I629-Y674 HydrophobicContact CB-CE1 4.41Å; I629-Y674 HydrophobicContact CB-CE2 4.38Å; I629-Y674 HydrophobicContact CG2-CD2 4.17Å; I629-Y674 HydrophobicContact CG2-CE1 4.15Å; I629-Y674 HydrophobicContact CG2-CE2 3.65Å
630Q95.3Very high91.1Very high0 Ų054.7 Ų54.70%033%0.325CS..Hα-helixtrans-62.9-40.9178.1-174.468.574.900112.6A580 V581 T584 A626 S627 L628 V632 L633 C634 Y674A580-Q630 HydrophobicContact CB-CG 4.38Å; V581-Q630 HydrophobicContact CG2-CG 4.18Å; T584-Q630 HydrophobicContact CG2-CB 3.86Å; T584-Q630 HydrophobicContact CG2-CG 4.36Å; T584-Q630 VanDerWaalsContact OG1-CG 3.31Å; T584-Q630 WeakPolarHBondContact OG1-CG 3.43Å; T584-Q630 PolarHBondContact OG1-OE1 2.93Å; T584-Q630 VanDerWaalsContact OG1-OE1 3.07Å; A626-Q630 PolarHBondContact O-N 3.44Å; S627-Q630 PolarHBondContact O-N 3.34Å; L628-Q630 VanDerWaalsContact C-N 3.33Å; L628-Q630 PolarHBondContact O-N 2.69Å; Q630-V632 VanDerWaalsContact C-N 3.34Å; Q630-V632 PolarHBondContact O-N 3.34Å; Q630-L633 PolarHBondContact O-N 2.79Å; Q630-C634 PolarHBondContact O-N 3.1Å; Q630-C634 PolarHBondContact O-SG 2.87Å; Q630-C634 VanDerWaalsContact O-SG 3.36Å; Q630-Y674 HydrophobicContact CB-CD1 4.35Å; Q630-Y674 HydrophobicContact CB-CE1 4.12Å; Q630-Y674 VanDerWaalsContact OE1-CD1 3.27Å
631V94.8Very high91.5Very high73 Ų7358.6 Ų58.644%0.44234%0.34SS..Hα-helixtrans-62.7-41.6177.1169.50000111.1V581 S627 L628 I629 C634 G635V581-V631 HydrophobicContact CG1-CG2 4.09Å; V581-V631 HydrophobicContact CG2-CG2 4.02Å; S627-V631 WeakPolarHBondContact O-CG2 3.39Å; S627-V631 PolarHBondContact O-N 3.36Å; L628-V631 PolarHBondContact O-N 3.15Å; I629-V631 PolarHBondContact O-N 3.45Å; V631-C634 PolarHBondContact O-N 2.84Å; V631-G635 PolarHBondContact O-N 2.79Å
632V94.4Very high91.7Very high86 Ų8657 Ų5752%0.52134%0.336SS..Hα-helixtrans-63.6-45.1175.7172.70000110.9L628 I629 Q630 C634 G635 V636L628-V632 WeakPolarHBondContact O-CG2 3.07Å; L628-V632 PolarHBondContact O-N 2.74Å; I629-V632 PolarHBondContact O-N 2.68Å; Q630-V632 VanDerWaalsContact C-N 3.34Å; Q630-V632 PolarHBondContact O-N 3.34Å; V632-C634 PolarHBondContact O-N 3.11Å; V632-G635 PolarHBondContact O-N 2.76Å; V632-V636 WeakPolarHBondContact O-CG2 3.16Å; V632-V636 PolarHBondContact O-N 2.83Å
633L93.3Very high91.8Very high60 Ų6054.8 Ų54.831%0.31432%0.322SS..Hα-helixtrans-60.4-45.4176.9-69.9174.2000112I629 Q630 V636 W637 V671 Y674I629-L633 HydrophobicContact CG2-CD1 4.22Å; I629-L633 WeakPolarHBondContact O-CG 3.25Å; I629-L633 PolarHBondContact O-N 2.72Å; Q630-L633 PolarHBondContact O-N 2.79Å; L633-V636 PolarHBondContact O-N 3.28Å; L633-W637 PolarHBondContact O-N 2.98Å; L633-V671 HydrophobicContact CB-CG2 4.27Å; L633-Y674 HydrophobicContact CD1-CD1 4.26Å; L633-Y674 HydrophobicContact CD1-CD2 4.43Å; L633-Y674 HydrophobicContact CD1-CG 3.89Å
634C92.7Very high91.7Very high6 Ų659 Ų594%0.04134%0.34CS..Hα-helixtrans-63.3-40.2175-69.80000111.9T577 Q630 V631 V632 W637 L638T577-C634 HydrophobicContact CG2-CB 4.29Å; Q630-C634 PolarHBondContact O-N 3.1Å; Q630-C634 PolarHBondContact O-SG 2.87Å; Q630-C634 VanDerWaalsContact O-SG 3.36Å; V631-C634 PolarHBondContact O-N 2.84Å; V632-C634 PolarHBondContact O-N 3.11Å; C634-W637 PolarHBondContact O-N 3.02Å; C634-L638 WeakPolarHBondContact O-CG 3.35Å; C634-L638 PolarHBondContact O-N 2.88Å
635G92.2Very high91.6Very high38 Ų3856.4 Ų56.439%0.39233%0.33SS..Hα-helixtrans-62.4-43.117700000112.9V631 V632 L638 A639V631-G635 PolarHBondContact O-N 2.79Å; V632-G635 PolarHBondContact O-N 2.76Å; G635-L638 PolarHBondContact O-N 3.03Å; G635-A639 VanDerWaalsContact O-CB 3.32Å; G635-A639 WeakPolarHBondContact O-CB 3.38Å; G635-A639 PolarHBondContact O-N 2.89Å
636V91.5Very high91.3Very high82 Ų8254.8 Ų54.850%0.49732%0.322SS..Hα-helixtrans-63.2-42174.5172.20000111.2V632 L633 A639 T640V632-V636 WeakPolarHBondContact O-CG2 3.16Å; V632-V636 PolarHBondContact O-N 2.83Å; L633-V636 PolarHBondContact O-N 3.28Å; V636-A639 PolarHBondContact O-N 2.94Å; V636-T640 HydrophobicContact CG1-CG2 4.43Å; V636-T640 WeakPolarHBondContact O-CB 3.38Å; V636-T640 WeakPolarHBondContact O-CG2 3.3Å; V636-T640 PolarHBondContact O-N 3.33Å; V636-T640 PolarHBondContact O-OG1 3.28Å
637W92.7Very high90.7Very high3 Ų359.1 Ų59.11%0.01134%0.34CS..Hα-helixtrans-62.1-48.7177.7179.625000111.7Q576 T577 L633 C634 A639 T640 F641 P643 D662 T667 F668 V671Q576-W637 HydrophobicContact CB-CH2 3.59Å; Q576-W637 HydrophobicContact CB-CZ3 3.7Å; Q576-W637 HydrophobicContact CG-CH2 3.99Å; T577-W637 HydrophobicContact CG2-CE3 4.32Å; T577-W637 HydrophobicContact CG2-CZ3 4.27Å; L633-W637 PolarHBondContact O-N 2.98Å; C634-W637 PolarHBondContact O-N 3.02Å; W637-A639 VanDerWaalsContact C-N 3.3Å; W637-A639 PolarHBondContact O-N 2.9Å; W637-T640 PolarHBondContact O-N 3.27Å; W637-T640 PolarHBondContact O-OG1 2.8Å; W637-F641 PolarHBondContact NE1-O 2.81Å; W637-F641 CarbonylContact O-C 3.36Å; W637-F641 PolarHBondContact O-N 2.96Å; W637-P643 HydrophobicContact CH2-CG 4.07Å; W637-P643 HydrophobicContact CZ2-CG 3.66Å; W637-D662 HydrophobicContact CZ2-CB 4.12Å; W637-D662 PolarHBondContact NE1-O 2.97Å; W637-D662 VanDerWaalsContact NE1-O 3.11Å; W637-T667 PolarHBondContact NE1-OG1 3.39Å; W637-F668 HydrophobicContact CH2-CB 4.45Å; W637-F668 AromaticContact CH2-CD2 3.6Å; W637-F668 HydrophobicContact CH2-CD2 3.6Å; W637-F668 HydrophobicContact CH2-CE2 4.36Å; W637-F668 HydrophobicContact CH2-CG 4.48Å; W637-F668 HydrophobicContact CZ2-CB 3.98Å; W637-F668 AromaticContact CZ2-CD2 3.93Å; W637-F668 HydrophobicContact CZ2-CD2 3.93Å; W637-F668 HydrophobicContact CZ2-CG 4.39Å; W637-F668 HydrophobicContact CZ3-CD2 4.32Å; W637-V671 HydrophobicContact CE3-CG2 4.1Å
638L90.8Very high89.8Confident59 Ų5959.6 Ų59.631%0.30934%0.341SS..Hα-helixtrans-63.8-32.6177.5-68.5-176000113.3L573 T577 C634 G635 P642L573-L638 HydrophobicContact CD2-CD2 3.78Å; T577-L638 HydrophobicContact CG2-CD1 4.03Å; T577-L638 HydrophobicContact CG2-CD2 3.89Å; T577-L638 HydrophobicContact CG2-CG 3.99Å; C634-L638 WeakPolarHBondContact O-CG 3.35Å; C634-L638 PolarHBondContact O-N 2.88Å; G635-L638 PolarHBondContact O-N 3.03Å; L638-P642 WeakPolarHBondContact O-CB 3.33Å
639A89.3Confident88.6Confident86 Ų8657 Ų5771%0.71133%0.327SS*.Hα-helixtrans-77.7-29.9-179.600000113.6G635 V636 W637G635-A639 VanDerWaalsContact O-CB 3.32Å; G635-A639 WeakPolarHBondContact O-CB 3.38Å; G635-A639 PolarHBondContact O-N 2.89Å; V636-A639 PolarHBondContact O-N 2.94Å; W637-A639 VanDerWaalsContact C-N 3.3Å; W637-A639 PolarHBondContact O-N 2.9Å
640T89Confident87.2Confident72 Ų7261.5 Ų61.544%0.44235%0.35SS..Hα-helixtrans-96-48.5-175.252.10000112.6V636 W637V636-T640 HydrophobicContact CG1-CG2 4.43Å; V636-T640 WeakPolarHBondContact O-CB 3.38Å; V636-T640 WeakPolarHBondContact O-CG2 3.3Å; V636-T640 PolarHBondContact O-N 3.33Å; V636-T640 PolarHBondContact O-OG1 3.28Å; W637-T640 PolarHBondContact O-N 3.27Å; W637-T640 PolarHBondContact O-OG1 2.8Å
641F89.1Confident85.6Confident108 Ų10863.5 Ų63.547%0.47436%0.364SS..SBendtrans-14272-176.1-61.4-74.9000110.2W637W637-F641 PolarHBondContact NE1-O 2.81Å; W637-F641 CarbonylContact O-C 3.36Å; W637-F641 PolarHBondContact O-N 2.96Å
642P88.4Confident84.1Confident62 Ų6263.3 Ų63.340%0.40336%0.359SS..  trans-62137.6-178.123.6-32000111.6L573 L638L573-P642 HydrophobicContact CD2-CB 3.81Å; L638-P642 WeakPolarHBondContact O-CB 3.33Å
643P90.4Very high82.5Confident3 Ų364.2 Ų64.22%0.01937%0.367CS..  trans-59.6139.5171.6-26.234.2000112.7C572 W637 H661C572-P643 HydrophobicContact CB-CB 4.29Å; W637-P643 HydrophobicContact CH2-CG 4.07Å; W637-P643 HydrophobicContact CZ2-CG 3.66Å; P643-H661 CarbonylContact C-O 3.43Å; P643-H661 WeakPolarHBondContact CA-O 3.41Å; P643-H661 WeakPolarHBondContact CB-O 3.35Å
644F87.6Confident81.1Confident96 Ų9667.3 Ų67.342%0.42138%0.379SS..EExtended strand (participates in β ladder)trans-135.8152.5-177.761.9-91.8000112D646 C660 H661F644-D646 HydrophobicContact CD2-CB 4.37Å; F644-D646 HydrophobicContact CE2-CB 4.06Å; F644-D646 PolarHBondContact O-N 3.06Å; F644-C660 CarbonylContact O-C 3.5Å; F644-C660 WeakPolarHBondContact O-CA 3.19Å; F644-H661 HydrophobicContact CD2-CB 4.34Å; F644-H661 HydrophobicContact CE1-CB 4.18Å; F644-H661 AromaticContact CE1-ND1 3.98Å; F644-H661 HydrophobicContact CE2-CB 3.91Å; F644-H661 HydrophobicContact CZ-CB 3.82Å; F644-H661 AromaticContact CZ-CG 3.9Å; F644-H661 AromaticContact CZ-ND1 3.94Å; F644-H661 PolarHBondContact N-O 2.67Å; F644-H661 PolarHBondContact O-N 3.21Å
645P88.3Confident80.1Confident51 Ų5169.9 Ų69.933%0.33139%0.391SS..EExtended strand (participates in β ladder)trans-71.1127.4174.628.4-32.7000110.3V569V569-P645 HydrophobicContact CG2-CG 4.07Å
646D83.9Confident79.2Confident58 Ų5868.5 Ų68.531%0.3137%0.374SS..EExtended strand (participates in β ladder)trans-122.8149-178.8-172.431.3000111.1F644 Q659 H661F644-D646 HydrophobicContact CD2-CB 4.37Å; F644-D646 HydrophobicContact CE2-CB 4.06Å; F644-D646 PolarHBondContact O-N 3.06Å; D646-Q659 PolarHBondContact N-O 3.34Å; D646-Q659 PolarHBondContact O-N 2.9Å; D646-Q659 VanDerWaalsContact O-N 3.07Å; D646-Q659 VanDerWaalsContact O-O 3.12Å; D646-H661 HydrophobicContact CB-CB 3.98Å
647K79.6Confident78.6Confident98 Ų9864.7 Ų64.743%0.42635%0.351SS..EExtended strand (participates in β ladder)trans-11099.2179.6-66.5-166.6-177.7-155.90109.1E498 M649 I656E498-K647 IonicContact OE1-NZ 2.64Å; E498-K647 PolarHBondContact OE1-NZ 2.8Å; K647-M649 HydrophobicContact CB-CE 4.38Å; K647-M649 PolarHBondContact O-N 3.12Å; K647-I656 HydrophobicContact CB-CG2 3.96Å; K647-I656 HydrophobicContact CD-CG2 4.21Å; K647-I656 HydrophobicContact CG-CG2 4.28Å
648D74.8Confident78.1Confident26 Ų2665.3 Ų65.314%0.13935%0.354CS..EExtended strand (participates in β ladder)trans-83113.7175.4-177.5-2.5000110.1L650 S651 V657D648-L650 PolarHBondContact OD1-N 3.27Å; D648-S651 PolarHBondContact OD1-N 3.49Å; D648-S651 VanDerWaalsContact OD1-N 3.09Å; D648-S651 WeakPolarHBondContact OD2-CB 3.29Å; D648-S651 PolarHBondContact OD2-OG 2.96Å; D648-V657 HydrophobicContact CB-CB 4.22Å; D648-V657 PolarHBondContact N-O 2.8Å; D648-V657 PolarHBondContact O-N 3.38Å
649M68.4Low77.8Confident58 Ų5865.1 Ų65.129%0.28635%0.352SS..  trans-103.8-0.7-178.9-57.5-176.8-178.500113.1E483 R496 K647E483-M649 HydrophobicContact CG-CE 4.45Å; R496-M649 PolarHBondContact NH1-O 3.26Å; R496-M649 VanDerWaalsContact NH1-O 3.12Å; K647-M649 HydrophobicContact CB-CE 4.38Å; K647-M649 PolarHBondContact O-N 3.12Å
650L64.8Low77.7Confident166 Ų16661.7 Ų61.787%0.86932%0.322SS*.SBendtrans-105-31.8-173.4-67.4172.6000112.2D648 E652D648-L650 PolarHBondContact OD1-N 3.27Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 3.1Å
651S61.3Low77.6Confident42 Ų4262.1 Ų62.129%0.29432%0.319SS..SBendtrans-66.4-31.8-176-75.80000113.9D648D648-S651 PolarHBondContact OD1-N 3.49Å; D648-S651 VanDerWaalsContact OD1-N 3.09Å; D648-S651 WeakPolarHBondContact OD2-CB 3.29Å; D648-S651 PolarHBondContact OD2-OG 2.96Å
652E64.6Low77.4Confident69 Ų6957.9 Ų57.932%0.32230%0.302SS..  trans-135.1120.9175.9-69.8-169.1-168.400111.5I499 L650 Q654 H655I499-E652 WeakPolarHBondContact CD1-OE2 3.46Å; L650-E652 VanDerWaalsContact C-N 3.33Å; L650-E652 PolarHBondContact O-N 3.1Å; E652-Q654 PolarHBondContact O-N 3.05Å; E652-Q654 VanDerWaalsContact O-N 3.12Å; E652-H655 HydrophobicContact CB-CB 4.27Å; E652-H655 PolarHBondContact O-N 3.42Å; E652-H655 IonicContact OE2-CD2 2.64Å; E652-H655 PolarHBondContact OE2-CD2 3.42Å; E652-H655 IonicContact OE2-CG 2.69Å
653P59.8Low77.2Confident106 Ų10656.1 Ų56.169%0.68829%0.294SS*.THydrogen-bonded Turntrans-67.3-16.7-170.621.9-30.7000114.9
654Q64.1Low77Confident125 Ų12557.2 Ų57.258%0.58430%0.302SS*.THydrogen-bonded Turntrans-110.5-11-177.2-65.7-178.1-500113.9E652E652-Q654 PolarHBondContact O-N 3.05Å; E652-Q654 VanDerWaalsContact O-N 3.12Å
655H71.2Confident76.8Confident59 Ų5954.6 Ų54.627%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-129.7154.3-173.1-62.9-60.2000111.6T497 I499 E652T497-H655 WeakPolarHBondContact O-CA 3.43Å; T497-H655 PolarHBondContact OG1-CE1 2.77Å; T497-H655 PolarHBondContact OG1-ND1 3.19Å; I499-H655 HydrophobicContact CD1-CB 3.53Å; I499-H655 HydrophobicContact CG1-CB 3.82Å; I499-H655 HydrophobicContact CG2-CB 3.96Å; E652-H655 HydrophobicContact CB-CB 4.27Å; E652-H655 PolarHBondContact O-N 3.42Å; E652-H655 IonicContact OE2-CD2 2.64Å; E652-H655 PolarHBondContact OE2-CD2 3.42Å; E652-H655 IonicContact OE2-CG 2.69Å
656I73.9Confident76.7Confident9 Ų955.4 Ų55.45%0.04631%0.314CS..EExtended strand (participates in β ladder)trans-102.1110171.1-60.9170.5000107R496 T497 E498 I499 K647 I658R496-I656 HydrophobicContact CB-CD1 3.86Å; R496-I656 HydrophobicContact CB-CG1 3.77Å; T497-I656 PolarHBondContact O-N 3.24Å; E498-I656 CarbonylContact C-O 3.55Å; E498-I656 WeakPolarHBondContact CA-O 3.42Å; E498-I656 HydrophobicContact CG-CB 4.41Å; I499-I656 PolarHBondContact N-O 3.3Å; K647-I656 HydrophobicContact CB-CG2 3.96Å; K647-I656 HydrophobicContact CD-CG2 4.21Å; K647-I656 HydrophobicContact CG-CG2 4.28Å; I656-I658 PolarHBondContact O-N 3.02Å
657V79.6Confident76.8Confident2 Ų254.1 Ų54.11%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-79.1119.3176.6175.70000108.3I499 D648I499-V657 HydrophobicContact CD1-CG2 3.71Å; I499-V657 HydrophobicContact CG1-CB 4.42Å; I499-V657 HydrophobicContact CG1-CG2 3.84Å; D648-V657 HydrophobicContact CB-CB 4.22Å; D648-V657 PolarHBondContact N-O 2.8Å; D648-V657 PolarHBondContact O-N 3.38Å
658I81.5Confident77.2Confident16 Ų1649.6 Ų49.68%0.08229%0.288CS..EExtended strand (participates in β ladder)trans-94.8117.8171.7-53.6-177.8000108.4E498 I499 P567 I656E498-I658 HydrophobicContact CB-CD1 3.83Å; E498-I658 HydrophobicContact CB-CG1 4.29Å; E498-I658 VanDerWaalsContact CD-CD1 3.47Å; E498-I658 HydrophobicContact CG-CD1 3.98Å; E498-I658 WeakPolarHBondContact OE2-CD1 3.41Å; I499-I658 PolarHBondContact O-N 3.25Å; I499-I658 VanDerWaalsContact O-N 3.11Å; P567-I658 HydrophobicContact CB-CG2 3.94Å; P567-I658 HydrophobicContact CG-CB 4.44Å; P567-I658 HydrophobicContact CG-CG2 3.77Å; I656-I658 PolarHBondContact O-N 3.02Å
659Q84Confident77.8Confident56 Ų5651.8 Ų51.826%0.26230%0.296SS..EExtended strand (participates in β ladder)trans-134.1160.417962-1716.400110.3D646D646-Q659 PolarHBondContact N-O 3.34Å; D646-Q659 PolarHBondContact O-N 2.9Å; D646-Q659 VanDerWaalsContact O-N 3.07Å; D646-Q659 VanDerWaalsContact O-O 3.12Å
660C87.8Confident78.8Confident13 Ų1352.9 Ų52.99%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-92.3119.6170.2-68.20000108C572 R575 F644C572-C660 WeakPolarHBondContact CA-SG 3.37Å; C572-C660 HydrophobicContact CB-CB 3.72Å; C572-C660 WeakPolarHBondContact CB-SG 3.37Å; C572-C660 WeakPolarHBondContact SG-CB 3.48Å; C572-C660 CovalentContact SG-SG 2.02Å; C572-C660 PolarHBondContact SG-SG 3.33Å; R575-C660 PolarHBondContact NH2-O 3.04Å; F644-C660 CarbonylContact O-C 3.5Å; F644-C660 WeakPolarHBondContact O-CA 3.19Å
661H87.1Confident80.1Confident82 Ų8245.2 Ų45.238%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-79.5133.7172.6-166.5-77.4000109.3P643 F644 D646 G663P643-H661 CarbonylContact C-O 3.43Å; P643-H661 WeakPolarHBondContact CA-O 3.41Å; P643-H661 WeakPolarHBondContact CB-O 3.35Å; F644-H661 HydrophobicContact CD2-CB 4.34Å; F644-H661 HydrophobicContact CE1-CB 4.18Å; F644-H661 AromaticContact CE1-ND1 3.98Å; F644-H661 HydrophobicContact CE2-CB 3.91Å; F644-H661 HydrophobicContact CZ-CB 3.82Å; F644-H661 AromaticContact CZ-CG 3.9Å; F644-H661 AromaticContact CZ-ND1 3.94Å; F644-H661 PolarHBondContact N-O 2.67Å; F644-H661 PolarHBondContact O-N 3.21Å; D646-H661 HydrophobicContact CB-CB 3.98Å; H661-G663 PolarHBondContact ND1-N 3.46Å; H661-G663 PolarHBondContact O-N 3.32Å
662D83.6Confident81.5Confident19 Ų1944.4 Ų44.410%0.10226%0.261CS..  trans-75.77.4-173.4-63.3-41.7000114.5R575 W637 S664 F668 Y720R575-D662 IonicContact CZ-OD1 2.66Å; R575-D662 IonicContact NH2-OD1 3.69Å; R575-D662 PolarHBondContact NH2-OD1 3.4Å; W637-D662 HydrophobicContact CZ2-CB 4.12Å; W637-D662 PolarHBondContact NE1-O 2.97Å; W637-D662 VanDerWaalsContact NE1-O 3.11Å; D662-S664 PolarHBondContact O-N 3.28Å; D662-F668 HydrophobicContact CB-CB 4.39Å; D662-F668 HydrophobicContact CB-CG 4.45Å; D662-Y720 PolarHBondContact OD2-OH 3.15Å; D662-Y720 VanDerWaalsContact OD2-OH 3.04Å
663G84.1Confident82.8Confident24 Ų2443.1 Ų43.125%0.24727%0.267CS..SBendtrans70.5-71.9-174.200000112.8H661H661-G663 PolarHBondContact ND1-N 3.46Å; H661-G663 PolarHBondContact O-N 3.32Å
664S86.9Confident84.4Confident27 Ų2740.1 Ų40.119%0.18924%0.242CC..  trans-128.4120.2178.4173.80000111.1D662 A666 T667 F668D662-S664 PolarHBondContact O-N 3.28Å; S664-A666 PolarHBondContact O-N 3.18Å; S664-T667 WeakPolarHBondContact CB-OG1 3.48Å; S664-T667 PolarHBondContact O-N 3.28Å; S664-T667 PolarHBondContact O-OG1 3.34Å; S664-F668 PolarHBondContact O-N 3.35Å
665G83.9Confident85.8Confident41 Ų4134.4 Ų34.442%0.42322%0.215SC..Hα-helixtrans-60.7-34.9177.200000112.6F668 F669G665-F668 PolarHBondContact O-N 3.24Å; G665-F669 WeakPolarHBondContact O-CD2 3.32Å; G665-F669 PolarHBondContact O-N 2.92Å
666A86.2Confident86.8Confident68 Ų6833.7 Ų33.756%0.56222%0.223SC*.Hα-helixtrans-63.3-47.8-17900000112.2S664 F669 C670S664-A666 PolarHBondContact O-N 3.18Å; A666-F669 PolarHBondContact O-N 3.12Å; A666-C670 PolarHBondContact O-N 3.07Å; A666-C670 PolarHBondContact O-SG 3.39Å
667T85.9Confident87.7Confident30 Ų3040.9 Ų40.918%0.18426%0.255CS..Hα-helixtrans-68.4-36.9179.748.30000111.9W637 S664 C670 V671W637-T667 PolarHBondContact NE1-OG1 3.39Å; S664-T667 WeakPolarHBondContact CB-OG1 3.48Å; S664-T667 PolarHBondContact O-N 3.28Å; S664-T667 PolarHBondContact O-OG1 3.34Å; T667-C670 WeakPolarHBondContact O-CB 3.31Å; T667-C670 PolarHBondContact O-N 3.17Å; T667-V671 WeakPolarHBondContact O-CG2 3.5Å; T667-V671 PolarHBondContact O-N 3.37Å; T667-V671 VanDerWaalsContact O-N 3.1Å
668F87.1Confident88.3Confident3 Ų341.6 Ų41.61%0.01326%0.258CS..Hα-helixtrans-59.7-48.8172.8173.5-115.1000111.9Q576 W637 D662 S664 G665 C670 V671 L672 Y720Q576-F668 HydrophobicContact CG-CE2 4.03Å; W637-F668 HydrophobicContact CH2-CB 4.45Å; W637-F668 AromaticContact CH2-CD2 3.6Å; W637-F668 HydrophobicContact CH2-CD2 3.6Å; W637-F668 HydrophobicContact CH2-CE2 4.36Å; W637-F668 HydrophobicContact CH2-CG 4.48Å; W637-F668 HydrophobicContact CZ2-CB 3.98Å; W637-F668 AromaticContact CZ2-CD2 3.93Å; W637-F668 HydrophobicContact CZ2-CD2 3.93Å; W637-F668 HydrophobicContact CZ2-CG 4.39Å; W637-F668 HydrophobicContact CZ3-CD2 4.32Å; D662-F668 HydrophobicContact CB-CB 4.39Å; D662-F668 HydrophobicContact CB-CG 4.45Å; S664-F668 PolarHBondContact O-N 3.35Å; G665-F668 PolarHBondContact O-N 3.24Å; F668-C670 VanDerWaalsContact C-N 3.32Å; F668-C670 PolarHBondContact O-N 3.42Å; F668-V671 WeakPolarHBondContact O-CB 3.3Å; F668-V671 PolarHBondContact O-N 3.28Å; F668-L672 HydrophobicContact CD1-CD1 4.25Å; F668-L672 HydrophobicContact CD2-CD1 4.48Å; F668-L672 HydrophobicContact CE1-CD1 3.59Å; F668-L672 HydrophobicContact CE2-CD1 3.86Å; F668-L672 HydrophobicContact CE2-CG 4.13Å; F668-L672 HydrophobicContact CZ-CD1 3.39Å; F668-L672 HydrophobicContact CZ-CG 4.18Å; F668-L672 PolarHBondContact O-N 2.88Å; F668-Y720 HydrophobicContact CE1-CE1 4.33Å
669F88.1Confident88.8Confident72 Ų7241 Ų4132%0.31626%0.256SS..Hα-helixtrans-68.1-27.8176.8-74.5-61.9000113.3G665 A666 G673 L717 Y721G665-F669 WeakPolarHBondContact O-CD2 3.32Å; G665-F669 PolarHBondContact O-N 2.92Å; A666-F669 PolarHBondContact O-N 3.12Å; F669-G673 WeakPolarHBondContact O-CA 3.42Å; F669-G673 PolarHBondContact O-N 3.21Å; F669-L717 HydrophobicContact CE1-CD2 4.37Å; F669-Y721 VanDerWaalsContact CE2-OH 3.22Å; F669-Y721 WeakPolarHBondContact CE2-OH 3.46Å; F669-Y721 HydrophobicContact CZ-CE2 4.09Å; F669-Y721 AromaticContact CZ-CZ 3.78Å; F669-Y721 WeakPolarHBondContact CZ-OH 3.37Å
670C90.1Very high89.2Confident81 Ų8139.7 Ų39.755%0.54726%0.258SS..Hα-helixtrans-64.1-43.7170.8-70.70000112.1A666 T667 F668 G673 Y674A666-C670 PolarHBondContact O-N 3.07Å; A666-C670 PolarHBondContact O-SG 3.39Å; T667-C670 WeakPolarHBondContact O-CB 3.31Å; T667-C670 PolarHBondContact O-N 3.17Å; F668-C670 VanDerWaalsContact C-N 3.32Å; F668-C670 PolarHBondContact O-N 3.42Å; C670-G673 PolarHBondContact O-N 2.98Å; C670-Y674 PolarHBondContact O-N 3.39Å; C670-Y674 VanDerWaalsContact O-N 3.09Å
671V91.9Very high89.4Confident5 Ų540.6 Ų40.63%0.0327%0.269CS..Hα-helixtrans-61.8-49.9176.4164.50000110.7A580 L633 W637 T667 F668 G673 Y674 L675A580-V671 HydrophobicContact CB-CG1 3.65Å; L633-V671 HydrophobicContact CB-CG2 4.27Å; W637-V671 HydrophobicContact CE3-CG2 4.1Å; T667-V671 WeakPolarHBondContact O-CG2 3.5Å; T667-V671 PolarHBondContact O-N 3.37Å; T667-V671 VanDerWaalsContact O-N 3.1Å; F668-V671 WeakPolarHBondContact O-CB 3.3Å; F668-V671 PolarHBondContact O-N 3.28Å; V671-G673 VanDerWaalsContact C-N 3.34Å; V671-G673 PolarHBondContact O-N 2.74Å; V671-Y674 PolarHBondContact O-N 3.01Å; V671-L675 PolarHBondContact O-N 2.51Å
672L89.9Confident89.6Confident26 Ų2636.7 Ų36.714%0.13625%0.251CS..Hα-helixtrans-65.3-36.2176.2-71.6-178.3000112.7F579 F668 Y674 L675 G676F579-L672 HydrophobicContact CE1-CD2 3.81Å; F668-L672 HydrophobicContact CD1-CD1 4.25Å; F668-L672 HydrophobicContact CD2-CD1 4.48Å; F668-L672 HydrophobicContact CE1-CD1 3.59Å; F668-L672 HydrophobicContact CE2-CD1 3.86Å; F668-L672 HydrophobicContact CE2-CG 4.13Å; F668-L672 HydrophobicContact CZ-CD1 3.39Å; F668-L672 HydrophobicContact CZ-CG 4.18Å; F668-L672 PolarHBondContact O-N 2.88Å; L672-Y674 PolarHBondContact O-N 3.15Å; L672-L675 PolarHBondContact O-N 2.86Å; L672-G676 PolarHBondContact O-N 3.01Å
673G91.6Very high90Very high42 Ų4238.3 Ų38.343%0.43326%0.257SS..Hα-helixtrans-63.4-39.4179.200000112.7F669 C670 V671 G676 F677F669-G673 WeakPolarHBondContact O-CA 3.42Å; F669-G673 PolarHBondContact O-N 3.21Å; C670-G673 PolarHBondContact O-N 2.98Å; V671-G673 VanDerWaalsContact C-N 3.34Å; V671-G673 PolarHBondContact O-N 2.74Å; G673-G676 PolarHBondContact O-N 3.29Å; G673-F677 WeakPolarHBondContact O-CB 3.25Å; G673-F677 PolarHBondContact O-N 3.02Å
674Y94.6Very high90.3Very high42 Ų4240.3 Ų40.317%0.16527%0.267CS..Hα-helixtrans-64.6-44.5173.8177.6-101.8000112T584 A626 I629 Q630 L633 C670 V671 L672 G676 F677 L678T584-Y674 HydrophobicContact CG2-CE1 4.25Å; A626-Y674 WeakPolarHBondContact CA-OH 3.22Å; A626-Y674 PolarHBondContact O-OH 3.45Å; I629-Y674 HydrophobicContact CB-CE1 4.41Å; I629-Y674 HydrophobicContact CB-CE2 4.38Å; I629-Y674 HydrophobicContact CG2-CD2 4.17Å; I629-Y674 HydrophobicContact CG2-CE1 4.15Å; I629-Y674 HydrophobicContact CG2-CE2 3.65Å; Q630-Y674 HydrophobicContact CB-CD1 4.35Å; Q630-Y674 HydrophobicContact CB-CE1 4.12Å; Q630-Y674 VanDerWaalsContact OE1-CD1 3.27Å; L633-Y674 HydrophobicContact CD1-CD1 4.26Å; L633-Y674 HydrophobicContact CD1-CD2 4.43Å; L633-Y674 HydrophobicContact CD1-CG 3.89Å; C670-Y674 PolarHBondContact O-N 3.39Å; C670-Y674 VanDerWaalsContact O-N 3.09Å; V671-Y674 PolarHBondContact O-N 3.01Å; L672-Y674 PolarHBondContact O-N 3.15Å; Y674-G676 VanDerWaalsContact C-N 3.31Å; Y674-G676 PolarHBondContact O-N 3.01Å; Y674-F677 PolarHBondContact O-N 2.77Å; Y674-L678 WeakPolarHBondContact O-CB 3.45Å; Y674-L678 PolarHBondContact O-N 2.97Å
675L91.9Very high90.3Very high6 Ų640.5 Ų40.53%0.03127%0.267CS..Hα-helixtrans-61.4-41.5175.2-176.965.1000111.5F579 F583 V587 V671 L672 L678 A679F579-L675 HydrophobicContact CE1-CD2 4.16Å; F579-L675 HydrophobicContact CZ-CD2 3.84Å; F583-L675 HydrophobicContact CB-CD1 4.08Å; F583-L675 HydrophobicContact CB-CD2 4.03Å; V587-L675 HydrophobicContact CG2-CD1 4.42Å; V671-L675 PolarHBondContact O-N 2.51Å; L672-L675 PolarHBondContact O-N 2.86Å; L675-L678 PolarHBondContact O-N 3.31Å; L675-A679 WeakPolarHBondContact O-CB 3.48Å; L675-A679 PolarHBondContact O-N 3.42Å
676G92.2Very high90.5Very high43 Ų4338.6 Ų38.644%0.44325%0.247SC..Hα-helixtrans-63-42.7174.700000113L672 G673 Y674 A679 G680L672-G676 PolarHBondContact O-N 3.01Å; G673-G676 PolarHBondContact O-N 3.29Å; Y674-G676 VanDerWaalsContact C-N 3.31Å; Y674-G676 PolarHBondContact O-N 3.01Å; G676-A679 PolarHBondContact O-N 3.16Å; G676-G680 PolarHBondContact O-N 3.17Å
677F93.8Very high90.5Very high161 Ų16139.7 Ų39.771%0.70624%0.24SC*.Hα-helixtrans-61.5-45.4174.3175.7-98.1000111.5G673 Y674 G680 G681G673-F677 WeakPolarHBondContact O-CB 3.25Å; G673-F677 PolarHBondContact O-N 3.02Å; Y674-F677 PolarHBondContact O-N 2.77Å; F677-G680 PolarHBondContact O-N 3.45Å; F677-G681 PolarHBondContact O-N 3.24Å
678L92.8Very high90.5Very high16 Ų1644.9 Ų44.98%0.08427%0.265CS..Hα-helixtrans-62.2-44.1176.7-174.569.9000111.4T584 V587 L591 A626 Y674 L675 G681 T682T584-L678 HydrophobicContact CG2-CD2 3.9Å; V587-L678 HydrophobicContact CB-CD2 4.1Å; V587-L678 HydrophobicContact CB-CG 4.49Å; V587-L678 HydrophobicContact CG1-CB 4.5Å; V587-L678 HydrophobicContact CG1-CD2 4Å; V587-L678 HydrophobicContact CG1-CG 3.84Å; L591-L678 HydrophobicContact CD2-CD1 3.77Å; A626-L678 HydrophobicContact CB-CD1 4.5Å; Y674-L678 WeakPolarHBondContact O-CB 3.45Å; Y674-L678 PolarHBondContact O-N 2.97Å; L675-L678 PolarHBondContact O-N 3.31Å; L678-G681 PolarHBondContact O-N 2.85Å; L678-T682 WeakPolarHBondContact O-CB 3.08Å; L678-T682 PolarHBondContact O-N 2.88Å; L678-T682 PolarHBondContact O-OG1 2.86Å
679A92.4Very high90.1Very high4 Ų444.8 Ų44.83%0.03327%0.265CS..Hα-helixtrans-64.2-43.8177.100000112.1V587 L675 G676 T682 F683 M706 F709V587-A679 HydrophobicContact CG1-CB 4.31Å; L675-A679 WeakPolarHBondContact O-CB 3.48Å; L675-A679 PolarHBondContact O-N 3.42Å; G676-A679 PolarHBondContact O-N 3.16Å; A679-T682 PolarHBondContact O-N 2.88Å; A679-F683 WeakPolarHBondContact O-CB 3.44Å; A679-F683 PolarHBondContact O-N 2.88Å; A679-M706 HydrophobicContact CB-CE 4.39Å; A679-F709 HydrophobicContact CB-CD1 3.97Å; A679-F709 HydrophobicContact CB-CE1 3.59Å
680G92.4Very high89.8Confident29 Ų2946.3 Ų46.330%0.29927%0.269SS..Hα-helixtrans-59.7-48.4174.600000112.1G676 F677 T682 F683 S684G676-G680 PolarHBondContact O-N 3.17Å; F677-G680 PolarHBondContact O-N 3.45Å; G680-T682 VanDerWaalsContact C-N 3.33Å; G680-T682 PolarHBondContact O-N 3.19Å; G680-F683 PolarHBondContact O-N 3.25Å; G680-S684 PolarHBondContact O-N 3.31Å; G680-S684 PolarHBondContact O-OG 3.06Å; G680-S684 VanDerWaalsContact O-OG 3.08Å
681G91.5Very high89.2Confident31 Ų3148.3 Ų48.332%0.3227%0.274SS..Hα-helixtrans-60.4-41.7175.100000112.7F677 L678 S684 V685F677-G681 PolarHBondContact O-N 3.24Å; L678-G681 PolarHBondContact O-N 2.85Å; G681-S684 PolarHBondContact O-N 3.14Å; G681-V685 WeakPolarHBondContact O-CG2 3.47Å; G681-V685 PolarHBondContact O-N 3.11Å
682T91.3Very high88.2Confident0 Ų050.3 Ų50.30%029%0.285CS..Hα-helixtrans-63-43.2175.9-53.50000111.8V587 V590 L591 L678 A679 G680 A686 M706V587-T682 HydrophobicContact CG1-CG2 4.45Å; V587-T682 WeakPolarHBondContact CG1-OG1 3.16Å; V590-T682 HydrophobicContact CB-CG2 4.09Å; V590-T682 HydrophobicContact CG1-CG2 3.72Å; L591-T682 HydrophobicContact CB-CG2 4.09Å; L591-T682 WeakPolarHBondContact CB-OG1 3.3Å; L678-T682 WeakPolarHBondContact O-CB 3.08Å; L678-T682 PolarHBondContact O-N 2.88Å; L678-T682 PolarHBondContact O-OG1 2.86Å; A679-T682 PolarHBondContact O-N 2.88Å; G680-T682 VanDerWaalsContact C-N 3.33Å; G680-T682 PolarHBondContact O-N 3.19Å; T682-A686 VanDerWaalsContact O-CB 3.26Å; T682-A686 WeakPolarHBondContact O-CB 3.42Å; T682-A686 PolarHBondContact O-N 3.12Å; T682-M706 HydrophobicContact CG2-CE 3.74Å; T682-M706 HydrophobicContact CG2-CG 3.98Å; T682-M706 HydrophobicContact CG2-SD 3.66Å
683F92.4Very high87Confident53 Ų5353.6 Ų53.623%0.23231%0.307CS..Hα-helixtrans-64.1-43.8175175.3-110000111.9A679 G680 V685 A686 F687 T703 M706 L707A679-F683 WeakPolarHBondContact O-CB 3.44Å; A679-F683 PolarHBondContact O-N 2.88Å; G680-F683 PolarHBondContact O-N 3.25Å; F683-V685 PolarHBondContact O-N 3.19Å; F683-A686 PolarHBondContact O-N 3.45Å; F683-F687 HydrophobicContact CZ-CD2 4.35Å; F683-F687 VanDerWaalsContact O-CB 3.29Å; F683-F687 WeakPolarHBondContact O-CB 3.27Å; F683-F687 PolarHBondContact O-N 3.17Å; F683-T703 HydrophobicContact CE2-CG2 4.3Å; F683-M706 HydrophobicContact CB-CB 4.28Å; F683-M706 HydrophobicContact CD2-CB 4.07Å; F683-L707 HydrophobicContact CD2-CB 4.45Å; F683-L707 HydrophobicContact CE2-CB 3.88Å; F683-L707 HydrophobicContact CE2-CD1 3.88Å; F683-L707 HydrophobicContact CE2-CG 4.45Å; F683-L707 HydrophobicContact CZ-CD1 3.89Å
684S89.4Confident85.7Confident66 Ų6653.4 Ų53.446%0.46230%0.297SS..Hα-helixtrans-59.9-46.2176.9-60.20000112.1G680 G681 F687 L688G680-S684 PolarHBondContact O-N 3.31Å; G680-S684 PolarHBondContact O-OG 3.06Å; G680-S684 VanDerWaalsContact O-OG 3.08Å; G681-S684 PolarHBondContact O-N 3.14Å; S684-F687 PolarHBondContact O-N 3.44Å; S684-L688 WeakPolarHBondContact O-CG 3.17Å; S684-L688 PolarHBondContact O-N 2.9Å
685V87.2Confident83.9Confident31 Ų3153.1 Ų53.119%0.18830%0.299CS..Hα-helixtrans-65.7-42.6177.3177.40000111L591 L595 V598 G681 F683 F687 L688 A689L591-V685 HydrophobicContact CD1-CB 4.4Å; L591-V685 HydrophobicContact CD1-CG2 4.17Å; L595-V685 HydrophobicContact CD2-CG1 3.99Å; L595-V685 HydrophobicContact CD2-CG2 4.38Å; L595-V685 HydrophobicContact CG-CG1 4.41Å; V598-V685 HydrophobicContact CG2-CG1 4.27Å; G681-V685 WeakPolarHBondContact O-CG2 3.47Å; G681-V685 PolarHBondContact O-N 3.11Å; F683-V685 PolarHBondContact O-N 3.19Å; V685-F687 PolarHBondContact O-N 3.11Å; V685-L688 PolarHBondContact O-N 2.99Å; V685-A689 WeakPolarHBondContact O-CB 3.17Å; V685-A689 PolarHBondContact O-N 3.41Å; V685-A689 VanDerWaalsContact O-N 3.12Å
686A87.3Confident82.5Confident1 Ų154.7 Ų54.71%0.00831%0.305CS..Hα-helixtrans-59.8-45.9176.400000111.6T594 T682 F683 L688 A689 R690 L702 T703T594-A686 HydrophobicContact CG2-CB 4.14Å; T682-A686 VanDerWaalsContact O-CB 3.26Å; T682-A686 WeakPolarHBondContact O-CB 3.42Å; T682-A686 PolarHBondContact O-N 3.12Å; F683-A686 PolarHBondContact O-N 3.45Å; A686-L688 PolarHBondContact O-N 2.94Å; A686-A689 WeakPolarHBondContact O-CA 3.21Å; A686-A689 WeakPolarHBondContact O-CB 3.47Å; A686-A689 PolarHBondContact O-N 3.02Å; A686-R690 PolarHBondContact O-N 3.34Å; A686-L702 HydrophobicContact CB-CD2 3.52Å; A686-T703 VanDerWaalsContact C-OG1 3.3Å; A686-T703 PolarHBondContact O-OG1 3.26Å
687F87.1Confident81.5Confident91 Ų9156.5 Ų56.540%0.39931%0.305SS..Hα-helixtrans-61.7-41.6178.8-174.2-94.1000112.3F683 S684 V685 A689 R690 T703F683-F687 HydrophobicContact CZ-CD2 4.35Å; F683-F687 VanDerWaalsContact O-CB 3.29Å; F683-F687 WeakPolarHBondContact O-CB 3.27Å; F683-F687 PolarHBondContact O-N 3.17Å; S684-F687 PolarHBondContact O-N 3.44Å; V685-F687 PolarHBondContact O-N 3.11Å; F687-A689 PolarHBondContact O-N 3.14Å; F687-R690 VanDerWaalsContact CE2-NH1 3.25Å; F687-R690 WeakPolarHBondContact O-CB 3.37Å; F687-R690 WeakPolarHBondContact O-CD 3.44Å; F687-R690 WeakPolarHBondContact O-CG 3.21Å; F687-R690 PolarHBondContact O-N 3.29Å; F687-T703 HydrophobicContact CB-CG2 4.43Å; F687-T703 HydrophobicContact CD2-CG2 4.31Å
688L84.7Confident80.7Confident139 Ų13950 Ų5073%0.72828%0.277SS*.Hα-helixtrans-64.9-26.4174.1-70.2171.6000112.8S684 V685 A686S684-L688 WeakPolarHBondContact O-CG 3.17Å; S684-L688 PolarHBondContact O-N 2.9Å; V685-L688 PolarHBondContact O-N 2.99Å; A686-L688 PolarHBondContact O-N 2.94Å
689A80.3Confident80.1Confident1 Ų149.6 Ų49.61%0.00828%0.275CS..Hα-helixtrans-84.4-9.8179.500000113.8V598 V685 A686 F687 D691 L692 T699V598-A689 HydrophobicContact CG2-CB 3.56Å; V685-A689 WeakPolarHBondContact O-CB 3.17Å; V685-A689 PolarHBondContact O-N 3.41Å; V685-A689 VanDerWaalsContact O-N 3.12Å; A686-A689 WeakPolarHBondContact O-CA 3.21Å; A686-A689 WeakPolarHBondContact O-CB 3.47Å; A686-A689 PolarHBondContact O-N 3.02Å; F687-A689 PolarHBondContact O-N 3.14Å; A689-D691 VanDerWaalsContact C-N 3.26Å; A689-D691 PolarHBondContact O-N 3.5Å; A689-L692 HydrophobicContact CB-CD1 3.98Å; A689-L692 WeakPolarHBondContact O-CB 3.16Å; A689-L692 WeakPolarHBondContact O-CG 3.4Å; A689-L692 PolarHBondContact O-N 3.21Å; A689-L692 VanDerWaalsContact O-N 3.11Å; A689-T699 HydrophobicContact CB-CG2 4.05Å; A689-T699 WeakPolarHBondContact O-CB 3.39Å; A689-T699 WeakPolarHBondContact O-CG2 3.48Å; A689-T699 PolarHBondContact O-OG1 2.86Å
690R81.9Confident79.7Confident104 Ų10454.8 Ų54.839%0.39230%0.297SS..THydrogen-bonded Turntrans-60.5-30.8-167.678.6-172.4-176.1169.6-1.3114.8A686 F687A686-R690 PolarHBondContact O-N 3.34Å; F687-R690 VanDerWaalsContact CE2-NH1 3.25Å; F687-R690 WeakPolarHBondContact O-CB 3.37Å; F687-R690 WeakPolarHBondContact O-CD 3.44Å; F687-R690 WeakPolarHBondContact O-CG 3.21Å; F687-R690 PolarHBondContact O-N 3.29Å
691D76Confident79.4Confident123 Ų12357.4 Ų57.466%0.65830%0.3SS*.THydrogen-bonded Turntrans-96.64.4-175.2-64.4-47.9000112A689A689-D691 VanDerWaalsContact C-N 3.26Å; A689-D691 PolarHBondContact O-N 3.5Å
692L71.9Confident79.1Confident48 Ų4856.3 Ų56.325%0.25129%0.287SS..SBendtrans-70.5130.8174.6-67172.7000110.4V597 V598 F601 A689 D694V597-L692 HydrophobicContact CG1-CD1 4.49Å; V598-L692 HydrophobicContact CG2-CD1 4.17Å; F601-L692 HydrophobicContact CB-CD1 4.25Å; F601-L692 HydrophobicContact CB-CD2 3.82Å; F601-L692 HydrophobicContact CD2-CB 4.2Å; F601-L692 HydrophobicContact CD2-CD1 3.95Å; F601-L692 HydrophobicContact CD2-CD2 4.49Å; F601-L692 HydrophobicContact CD2-CG 4.45Å; F601-L692 HydrophobicContact CE2-CB 4.41Å; F601-L692 HydrophobicContact CG-CB 4.45Å; F601-L692 HydrophobicContact CG-CD1 4.32Å; F601-L692 HydrophobicContact CG-CD2 4.09Å; A689-L692 HydrophobicContact CB-CD1 3.98Å; A689-L692 WeakPolarHBondContact O-CB 3.16Å; A689-L692 WeakPolarHBondContact O-CG 3.4Å; A689-L692 PolarHBondContact O-N 3.21Å; A689-L692 VanDerWaalsContact O-N 3.11Å; L692-D694 PolarHBondContact O-N 2.99Å
693P63.3Low79Confident94 Ų9457 Ų5761%0.6129%0.292SS*.  trans-71.394.1178.828.3-32.6000109.9F601F601-P693 HydrophobicContact CE1-CG 4.29Å; F601-P693 WeakPolarHBondContact CE1-O 3.34Å; F601-P693 WeakPolarHBondContact CZ-O 3.3Å
694D65Low78.9Confident39 Ų3960.3 Ų60.321%0.20931%0.306CS..  trans-109.1140.6176.4-161.6-10000110.8F601 L692 F696 N697 E698F601-D694 HydrophobicContact CZ-CB 4.43Å; L692-D694 PolarHBondContact O-N 2.99Å; D694-F696 PolarHBondContact O-N 2.81Å; D694-N697 PolarHBondContact O-N 3.44Å; D694-E698 WeakPolarHBondContact OD2-CB 3.29Å
695V58.1Low79Confident35 Ų3557.2 Ų57.221%0.21228%0.284CS..THydrogen-bonded Turntrans-57.2-18.1-171.8-178.20000112.6W766 L767V695-W766 HydrophobicContact CG1-CE3 4.17Å; V695-W766 HydrophobicContact CG1-CH2 4.28Å; V695-W766 HydrophobicContact CG1-CZ3 3.59Å; V695-L767 HydrophobicContact CG1-CD2 4.18Å
696F61Low79.2Confident39 Ų3955.7 Ų55.717%0.17128%0.275CS..THydrogen-bonded Turntrans-126.910.9-175.2-56.7-69.9000115.8V537 D694 E698 I754 W766 L767V537-F696 HydrophobicContact CG2-CZ 4.12Å; D694-F696 PolarHBondContact O-N 2.81Å; F696-E698 PolarHBondContact O-N 2.97Å; F696-E698 VanDerWaalsContact O-N 3.17Å; F696-I754 HydrophobicContact CD1-CD1 3.41Å; F696-I754 VanDerWaalsContact CD1-CD1 3.41Å; F696-I754 HydrophobicContact CE1-CD1 3.7Å; F696-I754 HydrophobicContact CG-CD1 4.38Å; F696-W766 HydrophobicContact CD1-CZ3 4.31Å; F696-W766 HydrophobicContact CE1-CE3 4.38Å; F696-W766 HydrophobicContact CE1-CH2 4.37Å; F696-W766 AromaticContact CE1-CZ3 3.55Å; F696-W766 HydrophobicContact CE1-CZ3 3.55Å; F696-W766 HydrophobicContact CZ-CZ3 4.03Å; F696-L767 HydrophobicContact CE2-CD2 3.46Å; F696-L767 VanDerWaalsContact CE2-CD2 3.46Å; F696-L767 HydrophobicContact CZ-CD2 3.52Å
697N71.4Confident79.4Confident82 Ų8260.1 Ų60.144%0.43930%0.298SS..  trans52.428.4-167.8-71.7-59.1000112.9D694 T699 K700 F701D694-N697 PolarHBondContact O-N 3.44Å; N697-T699 VanDerWaalsContact C-N 3.3Å; N697-T699 PolarHBondContact O-N 2.61Å; N697-K700 HydrophobicContact CB-CD 4.23Å; N697-K700 WeakPolarHBondContact O-CB 3.41Å; N697-K700 PolarHBondContact O-N 3.11Å; N697-K700 VanDerWaalsContact O-N 3.1Å; N697-K700 PolarHBondContact OD1-NZ 3.15Å; N697-F701 HydrophobicContact CB-CE2 4.4Å; N697-F701 WeakPolarHBondContact O-CD2 3.02Å; N697-F701 PolarHBondContact O-N 3.33Å
698E77.2Confident79.7Confident24 Ų2458.6 Ų58.611%0.11229%0.294CS..Hα-helixtrans-60.5-38.3-172.3173.9166.7176.100112.6N541 K593 D694 F696 K700 F701 L702 K751N541-E698 PolarHBondContact OD1-OE1 2.77Å; K593-E698 WeakPolarHBondContact CE-OE1 3.08Å; K593-E698 IonicContact NZ-OE1 3.49Å; K593-E698 PolarHBondContact NZ-OE1 2.76Å; D694-E698 WeakPolarHBondContact OD2-CB 3.29Å; F696-E698 PolarHBondContact O-N 2.97Å; F696-E698 VanDerWaalsContact O-N 3.17Å; E698-K700 VanDerWaalsContact C-N 3.32Å; E698-K700 PolarHBondContact O-N 3.44Å; E698-F701 PolarHBondContact O-N 3.43Å; E698-L702 WeakPolarHBondContact O-CB 2.97Å; E698-L702 PolarHBondContact O-N 3.42Å; E698-K751 IonicContact OE1-NZ 3.23Å; E698-K751 PolarHBondContact OE1-NZ 3.35Å; E698-K751 VanDerWaalsContact OE2-CE 3.26Å; E698-K751 WeakPolarHBondContact OE2-CE 3.41Å; E698-K751 IonicContact OE2-NZ 2.72Å; E698-K751 PolarHBondContact OE2-NZ 2.58Å
699T79.9Confident80Confident8 Ų852.1 Ų52.15%0.04926%0.26CS..Hα-helixtrans-63.7-33.6177.153.80000113V597 A689 N697 T703V597-T699 HydrophobicContact CG1-CG2 3.7Å; A689-T699 HydrophobicContact CB-CG2 4.05Å; A689-T699 WeakPolarHBondContact O-CB 3.39Å; A689-T699 WeakPolarHBondContact O-CG2 3.48Å; A689-T699 PolarHBondContact O-OG1 2.86Å; N697-T699 VanDerWaalsContact C-N 3.3Å; N697-T699 PolarHBondContact O-N 2.61Å; T699-T703 WeakPolarHBondContact O-CB 3.4Å; T699-T703 PolarHBondContact O-N 3.48Å; T699-T703 PolarHBondContact O-OG1 3.03Å
700K84.4Confident80.6Confident113 Ų11353.4 Ų53.449%0.49127%0.269SS..Hα-helixtrans-68.9-45.9175.8-67.1179.3-177.7159.50111.7N697 E698 L702 T703 F704N697-K700 HydrophobicContact CB-CD 4.23Å; N697-K700 WeakPolarHBondContact O-CB 3.41Å; N697-K700 PolarHBondContact O-N 3.11Å; N697-K700 VanDerWaalsContact O-N 3.1Å; N697-K700 PolarHBondContact OD1-NZ 3.15Å; E698-K700 VanDerWaalsContact C-N 3.32Å; E698-K700 PolarHBondContact O-N 3.44Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 3.37Å; K700-T703 PolarHBondContact O-N 2.81Å; K700-F704 WeakPolarHBondContact O-CB 3.39Å; K700-F704 PolarHBondContact O-N 2.97Å
701F86Confident81.1Confident83 Ų8351 Ų5136%0.36427%0.267SS..Hα-helixtrans-65.1-36.5177-75.8-67.1000112.5N697 E698 F704 S705 G746 P750N697-F701 HydrophobicContact CB-CE2 4.4Å; N697-F701 WeakPolarHBondContact O-CD2 3.02Å; N697-F701 PolarHBondContact O-N 3.33Å; E698-F701 PolarHBondContact O-N 3.43Å; F701-F704 PolarHBondContact O-N 3.27Å; F701-S705 PolarHBondContact O-N 2.89Å; F701-S705 PolarHBondContact O-OG 3.26Å; F701-G746 WeakPolarHBondContact CB-O 3.3Å; F701-P750 HydrophobicContact CD1-CG 4Å; F701-P750 HydrophobicContact CD2-CB 4.41Å; F701-P750 HydrophobicContact CD2-CG 3.94Å; F701-P750 HydrophobicContact CE1-CG 3.97Å; F701-P750 HydrophobicContact CE2-CB 4.19Å; F701-P750 HydrophobicContact CE2-CG 3.9Å; F701-P750 HydrophobicContact CG-CG 4Å; F701-P750 HydrophobicContact CZ-CG 3.91Å
702L86.1Confident82Confident8 Ų846.2 Ų46.24%0.04224%0.243CC..Hα-helixtrans-67.3-42.7175.8-163154.4000111.3V590 K593 T594 A686 E698 K700 F704 S705 M706V590-L702 HydrophobicContact CG1-CD1 4.07Å; V590-L702 HydrophobicContact CG1-CD2 3.61Å; V590-L702 HydrophobicContact CG1-CG 3.86Å; K593-L702 HydrophobicContact CD-CD1 4.25Å; K593-L702 HydrophobicContact CG-CD1 4.4Å; T594-L702 HydrophobicContact CG2-CD1 3.49Å; T594-L702 VanDerWaalsContact CG2-CD1 3.49Å; T594-L702 HydrophobicContact CG2-CD2 3.02Å; T594-L702 HydrophobicContact CG2-CG 3.86Å; A686-L702 HydrophobicContact CB-CD2 3.52Å; E698-L702 WeakPolarHBondContact O-CB 2.97Å; E698-L702 PolarHBondContact O-N 3.42Å; K700-L702 VanDerWaalsContact C-N 3.31Å; K700-L702 PolarHBondContact O-N 3.37Å; L702-F704 VanDerWaalsContact C-N 3.33Å; L702-F704 PolarHBondContact O-N 3.09Å; L702-S705 PolarHBondContact O-N 3.34Å; L702-M706 HydrophobicContact CD2-CG 4.1Å; L702-M706 WeakPolarHBondContact O-CG 3.3Å; L702-M706 PolarHBondContact O-N 2.96Å
703T88.5Confident82.9Confident16 Ų1645.9 Ų45.910%0.09824%0.238CC..Hα-helixtrans-60.8-42.9173.6-54.20000111.4F683 A686 F687 T699 K700 M706 L707F683-T703 HydrophobicContact CE2-CG2 4.3Å; A686-T703 VanDerWaalsContact C-OG1 3.3Å; A686-T703 PolarHBondContact O-OG1 3.26Å; F687-T703 HydrophobicContact CB-CG2 4.43Å; F687-T703 HydrophobicContact CD2-CG2 4.31Å; T699-T703 WeakPolarHBondContact O-CB 3.4Å; T699-T703 PolarHBondContact O-N 3.48Å; T699-T703 PolarHBondContact O-OG1 3.03Å; K700-T703 PolarHBondContact O-N 2.81Å; T703-M706 PolarHBondContact O-N 3.25Å; T703-L707 WeakPolarHBondContact O-CB 3.08Å; T703-L707 PolarHBondContact O-N 3.16Å
704F90Very high84.1Confident121 Ų12145.9 Ų45.953%0.53124%0.237SC..Hα-helixtrans-61-47.5176176-100.9000112.2K700 F701 L702 M706 L707 L708K700-F704 WeakPolarHBondContact O-CB 3.39Å; K700-F704 PolarHBondContact O-N 2.97Å; F701-F704 PolarHBondContact O-N 3.27Å; L702-F704 VanDerWaalsContact C-N 3.33Å; L702-F704 PolarHBondContact O-N 3.09Å; F704-M706 VanDerWaalsContact C-N 3.35Å; F704-M706 PolarHBondContact O-N 2.89Å; F704-L707 PolarHBondContact O-N 3.07Å; F704-L708 PolarHBondContact O-N 3.41Å
705S91.3Very high85.4Confident1 Ų146.4 Ų46.41%0.00725%0.246CC..Hα-helixtrans-61.3-40.8177.1-74.40000112.7F701 L702 F709 G742 G746F701-S705 PolarHBondContact O-N 2.89Å; F701-S705 PolarHBondContact O-OG 3.26Å; L702-S705 PolarHBondContact O-N 3.34Å; S705-F709 WeakPolarHBondContact O-CB 3.34Å; S705-F709 PolarHBondContact O-N 3.42Å; S705-G742 PolarHBondContact OG-O 3.43Å; S705-G746 VanDerWaalsContact OG-CA 3.24Å; S705-G746 WeakPolarHBondContact OG-CA 3.3Å
706M91.9Very high86.9Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-72-33.9177.3-71.8-55.3-48.100113V587 V590 A679 T682 F683 L702 T703 F704 F709 C710 L743V587-M706 HydrophobicContact CG1-CE 4.38Å; V590-M706 HydrophobicContact CB-SD 4.38Å; V590-M706 HydrophobicContact CG1-CG 4.02Å; V590-M706 HydrophobicContact CG1-SD 3.79Å; A679-M706 HydrophobicContact CB-CE 4.39Å; T682-M706 HydrophobicContact CG2-CE 3.74Å; T682-M706 HydrophobicContact CG2-CG 3.98Å; T682-M706 HydrophobicContact CG2-SD 3.66Å; F683-M706 HydrophobicContact CB-CB 4.28Å; F683-M706 HydrophobicContact CD2-CB 4.07Å; L702-M706 HydrophobicContact CD2-CG 4.1Å; L702-M706 WeakPolarHBondContact O-CG 3.3Å; L702-M706 PolarHBondContact O-N 2.96Å; T703-M706 PolarHBondContact O-N 3.25Å; F704-M706 VanDerWaalsContact C-N 3.35Å; F704-M706 PolarHBondContact O-N 2.89Å; M706-F709 HydrophobicContact CE-CD1 4.32Å; M706-F709 PolarHBondContact O-N 3.15Å; M706-C710 WeakPolarHBondContact O-CB 3.09Å; M706-C710 PolarHBondContact O-N 2.96Å; M706-C710 PolarHBondContact O-SG 3.3Å; M706-C710 VanDerWaalsContact O-SG 3.33Å; M706-L743 HydrophobicContact SD-CD2 4.11Å
707L91.6Very high88.1Confident93 Ų9347 Ų4749%0.48725%0.249SC..Hα-helixtrans-63.1-47.1172.9-178.160.4000111.1F683 T703 F704 C710 S711F683-L707 HydrophobicContact CD2-CB 4.45Å; F683-L707 HydrophobicContact CE2-CB 3.88Å; F683-L707 HydrophobicContact CE2-CD1 3.88Å; F683-L707 HydrophobicContact CE2-CG 4.45Å; F683-L707 HydrophobicContact CZ-CD1 3.89Å; T703-L707 WeakPolarHBondContact O-CB 3.08Å; T703-L707 PolarHBondContact O-N 3.16Å; F704-L707 PolarHBondContact O-N 3.07Å; L707-C710 PolarHBondContact O-N 3.47Å; L707-S711 WeakPolarHBondContact O-CB 3.34Å; L707-S711 PolarHBondContact O-N 3.05Å; L707-S711 PolarHBondContact O-OG 2.66Å
708L92.3Very high88.8Confident59 Ų5947 Ų4731%0.30925%0.254SS..Hα-helixtrans-60.1-46.9176.9-177.666.1000110.6F704 C710 S711 V712 G742F704-L708 PolarHBondContact O-N 3.41Å; L708-C710 PolarHBondContact O-N 3.33Å; L708-S711 WeakPolarHBondContact CA-OG 3.38Å; L708-S711 PolarHBondContact O-N 3.11Å; L708-S711 PolarHBondContact O-OG 3.23Å; L708-V712 WeakPolarHBondContact O-CG2 3.29Å; L708-V712 PolarHBondContact O-N 2.82Å; L708-V712 VanDerWaalsContact O-N 3.09Å; L708-G742 VanDerWaalsContact CD2-CA 3.44Å
709F92.4Very high89.3Confident4 Ų450.2 Ų50.22%0.01827%0.271CS..Hα-helixtrans-53.9-53.9174.3-175.6-84.2000112.1F583 V587 A679 S705 M706 S711 V712 W713 L743F583-F709 AromaticContact CD1-CE2 3.57Å; F583-F709 HydrophobicContact CD1-CE2 3.57Å; F583-F709 AromaticContact CD1-CZ 3.86Å; F583-F709 HydrophobicContact CD1-CZ 3.86Å; F583-F709 AromaticContact CE1-CE2 3.64Å; F583-F709 HydrophobicContact CE1-CE2 3.64Å; F583-F709 HydrophobicContact CE1-CZ 4.29Å; V587-F709 HydrophobicContact CG2-CE1 4.17Å; V587-F709 HydrophobicContact CG2-CE2 4.04Å; V587-F709 HydrophobicContact CG2-CZ 3.7Å; A679-F709 HydrophobicContact CB-CD1 3.97Å; A679-F709 HydrophobicContact CB-CE1 3.59Å; S705-F709 WeakPolarHBondContact O-CB 3.34Å; S705-F709 PolarHBondContact O-N 3.42Å; M706-F709 HydrophobicContact CE-CD1 4.32Å; M706-F709 PolarHBondContact O-N 3.15Å; F709-S711 VanDerWaalsContact C-N 3.3Å; F709-S711 PolarHBondContact O-N 3.5Å; F709-V712 PolarHBondContact O-N 3.22Å; F709-W713 AromaticContact CD1-CD1 3.73Å; F709-W713 AromaticContact CE1-CD1 3.41Å; F709-W713 VanDerWaalsContact CE1-CD1 3.41Å; F709-W713 HydrophobicContact CE1-CG 4.37Å; F709-W713 AromaticContact CE1-NE1 3.79Å; F709-W713 AromaticContact CE2-CD1 3.98Å; F709-W713 AromaticContact CE2-NE1 3.58Å; F709-W713 AromaticContact CZ-CD1 3.55Å; F709-W713 AromaticContact CZ-NE1 3.39Å; F709-W713 VanDerWaalsContact O-CD1 3.24Å; F709-W713 PolarHBondContact O-N 2.82Å; F709-L743 HydrophobicContact CD2-CD1 3.84Å; F709-L743 HydrophobicContact CD2-CG 4.26Å; F709-L743 HydrophobicContact CE2-CD1 4.13Å
710C92.3Very high89.6Confident28 Ų2851.9 Ų51.919%0.18928%0.277CS..Hα-helixtrans-60.8-39.5-179.7-71.10000112M706 L707 L708 V712 W713 T714M706-C710 WeakPolarHBondContact O-CB 3.09Å; M706-C710 PolarHBondContact O-N 2.96Å; M706-C710 PolarHBondContact O-SG 3.3Å; M706-C710 VanDerWaalsContact O-SG 3.33Å; L707-C710 PolarHBondContact O-N 3.47Å; L708-C710 PolarHBondContact O-N 3.33Å; C710-V712 PolarHBondContact O-N 3.3Å; C710-W713 PolarHBondContact O-N 3.12Å; C710-T714 WeakPolarHBondContact O-CG2 3.49Å; C710-T714 PolarHBondContact O-N 3.25Å; C710-T714 PolarHBondContact O-OG1 2.81Å; C710-T714 VanDerWaalsContact O-OG1 3.14Å
711S92.5Very high89.6Confident53 Ų5354.3 Ų54.337%0.37128%0.284SS..Hα-helixtrans-64.7-37.3179.571.30000113.8L707 L708 F709 T714 A715L707-S711 WeakPolarHBondContact O-CB 3.34Å; L707-S711 PolarHBondContact O-N 3.05Å; L707-S711 PolarHBondContact O-OG 2.66Å; L708-S711 WeakPolarHBondContact CA-OG 3.38Å; L708-S711 PolarHBondContact O-N 3.11Å; L708-S711 PolarHBondContact O-OG 3.23Å; F709-S711 VanDerWaalsContact C-N 3.3Å; F709-S711 PolarHBondContact O-N 3.5Å; S711-T714 WeakPolarHBondContact CA-OG1 3.37Å; S711-T714 PolarHBondContact O-OG1 3.03Å; S711-A715 WeakPolarHBondContact O-CB 3.43Å; S711-A715 PolarHBondContact O-N 2.87Å; S711-A715 VanDerWaalsContact O-N 3.15Å
712V94.1Very high89.5Confident22 Ų2254.9 Ų54.913%0.13330%0.299CS..Hα-helixtrans-66.9-45.3176.9171.70000110.4L708 F709 C710 A715 F716 S735 A738L708-V712 WeakPolarHBondContact O-CG2 3.29Å; L708-V712 PolarHBondContact O-N 2.82Å; L708-V712 VanDerWaalsContact O-N 3.09Å; F709-V712 PolarHBondContact O-N 3.22Å; C710-V712 PolarHBondContact O-N 3.3Å; V712-A715 PolarHBondContact O-N 3.09Å; V712-F716 PolarHBondContact O-N 2.85Å; V712-S735 WeakPolarHBondContact CG1-O 3.17Å; V712-A738 HydrophobicContact CG1-CB 4.36Å; V712-A738 HydrophobicContact CG2-CB 4.23Å
713W91.5Very high89.4Confident41 Ų4155.8 Ų55.816%0.15531%0.307CS..Hα-helixtrans-74.1-27.8-178.8-72.6103.9000113.9F579 F583 F709 C710 F716 I736 S739F579-W713 HydrophobicContact CD2-CH2 4.49Å; F579-W713 AromaticContact CE1-CH2 3.84Å; F579-W713 HydrophobicContact CE1-CH2 3.84Å; F579-W713 HydrophobicContact CE1-CZ2 4.45Å; F579-W713 HydrophobicContact CE1-CZ3 4.28Å; F579-W713 AromaticContact CE2-CH2 3.4Å; F579-W713 HydrophobicContact CE2-CH2 3.4Å; F579-W713 AromaticContact CE2-CZ2 3.38Å; F579-W713 HydrophobicContact CE2-CZ2 3.38Å; F579-W713 AromaticContact CZ-CH2 3Å; F579-W713 HydrophobicContact CZ-CH2 3Å; F579-W713 AromaticContact CZ-CZ2 3.27Å; F579-W713 HydrophobicContact CZ-CZ2 3.27Å; F579-W713 AromaticContact CZ-CZ3 3.76Å; F579-W713 HydrophobicContact CZ-CZ3 3.76Å; F583-W713 HydrophobicContact CE1-CZ2 4.28Å; F709-W713 AromaticContact CD1-CD1 3.73Å; F709-W713 AromaticContact CE1-CD1 3.41Å; F709-W713 VanDerWaalsContact CE1-CD1 3.41Å; F709-W713 HydrophobicContact CE1-CG 4.37Å; F709-W713 AromaticContact CE1-NE1 3.79Å; F709-W713 AromaticContact CE2-CD1 3.98Å; F709-W713 AromaticContact CE2-NE1 3.58Å; F709-W713 AromaticContact CZ-CD1 3.55Å; F709-W713 AromaticContact CZ-NE1 3.39Å; F709-W713 VanDerWaalsContact O-CD1 3.24Å; F709-W713 PolarHBondContact O-N 2.82Å; C710-W713 PolarHBondContact O-N 3.12Å; W713-F716 HydrophobicContact CE3-CB 4.21Å; W713-F716 AromaticContact CE3-CD1 3.82Å; W713-F716 HydrophobicContact CE3-CD1 3.82Å; W713-F716 HydrophobicContact CE3-CG 4.07Å; W713-F716 AromaticContact CZ3-CD1 3.83Å; W713-F716 HydrophobicContact CZ3-CD1 3.83Å; W713-F716 HydrophobicContact CZ3-CE1 4.13Å; W713-F716 HydrophobicContact CZ3-CG 4.08Å; W713-I736 HydrophobicContact CH2-CG1 4.19Å; W713-I736 HydrophobicContact CZ2-CG1 4.34Å; W713-S739 PolarHBondContact NE1-OG 3.03Å
714T89.2Confident88.9Confident95 Ų9563.7 Ų63.758%0.58334%0.335SS*.Hα-helixtrans-71-35.1170.354.10000111.9C710 S711 P718C710-T714 WeakPolarHBondContact O-CG2 3.49Å; C710-T714 PolarHBondContact O-N 3.25Å; C710-T714 PolarHBondContact O-OG1 2.81Å; C710-T714 VanDerWaalsContact O-OG1 3.14Å; S711-T714 WeakPolarHBondContact CA-OG1 3.37Å; S711-T714 PolarHBondContact O-OG1 3.03Å; T714-P718 VanDerWaalsContact O-CD 3.24Å; T714-P718 WeakPolarHBondContact O-CD 3.13Å
715A90.8Very high88.4Confident49 Ų4958.3 Ų58.341%0.40531%0.313SS..Hα-helixtrans-72.5-29174.500000113.1S711 V712 P718 L719S711-A715 WeakPolarHBondContact O-CB 3.43Å; S711-A715 PolarHBondContact O-N 2.87Å; S711-A715 VanDerWaalsContact O-N 3.15Å; V712-A715 PolarHBondContact O-N 3.09Å; A715-P718 VanDerWaalsContact O-CD 3.31Å; A715-P718 WeakPolarHBondContact O-CD 3.32Å; A715-P718 WeakPolarHBondContact O-CG 3.36Å; A715-L719 WeakPolarHBondContact O-CD1 3.34Å; A715-L719 WeakPolarHBondContact O-CG 3.31Å
716F89.9Confident88Confident6 Ų662.4 Ų62.43%0.02633%0.331CS..Hα-helixtrans-59.8-46.2177.7169.9-106.2000113.1V712 W713 L719 Y720 V731 E732V712-F716 PolarHBondContact O-N 2.85Å; W713-F716 HydrophobicContact CE3-CB 4.21Å; W713-F716 AromaticContact CE3-CD1 3.82Å; W713-F716 HydrophobicContact CE3-CD1 3.82Å; W713-F716 HydrophobicContact CE3-CG 4.07Å; W713-F716 AromaticContact CZ3-CD1 3.83Å; W713-F716 HydrophobicContact CZ3-CD1 3.83Å; W713-F716 HydrophobicContact CZ3-CE1 4.13Å; W713-F716 HydrophobicContact CZ3-CG 4.08Å; F716-L719 PolarHBondContact O-N 3.06Å; F716-L719 VanDerWaalsContact O-N 3.15Å; F716-Y720 HydrophobicContact CE1-CD2 4.39Å; F716-Y720 HydrophobicContact CE1-CG 4.39Å; F716-Y720 AromaticContact CE2-CD2 3.94Å; F716-Y720 HydrophobicContact CE2-CD2 3.94Å; F716-Y720 HydrophobicContact CE2-CG 4.4Å; F716-Y720 AromaticContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CE2 4.27Å; F716-Y720 AromaticContact CZ-CG 3.89Å; F716-Y720 HydrophobicContact CZ-CG 3.89Å; F716-Y720 WeakPolarHBondContact O-CB 3.48Å; F716-Y720 PolarHBondContact O-N 3.27Å; F716-V731 HydrophobicContact CD2-CG1 3.93Å; F716-V731 HydrophobicContact CE2-CG1 4.27Å; F716-E732 HydrophobicContact CE2-CB 4.24Å; F716-E732 HydrophobicContact CE2-CG 3.43Å; F716-E732 VanDerWaalsContact CE2-CG 3.43Å; F716-E732 HydrophobicContact CZ-CG 3.67Å
717L86Confident87.6Confident80 Ų8065.5 Ų65.542%0.41935%0.353SS..Hα-helixtrans-54-53-174.7-71.5170.7000114.2F669 L719 Y720 Y721F669-L717 HydrophobicContact CE1-CD2 4.37Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.48Å; L717-Y720 PolarHBondContact O-N 3.24Å; L717-Y721 WeakPolarHBondContact O-CD2 3.49Å
718P87.3Confident87.4Confident83 Ų8362.1 Ų62.154%0.53934%0.336SS..Hα-helixtrans-67.9-31.9178.126-34.8000113.1T714 A715 S722T714-P718 VanDerWaalsContact O-CD 3.24Å; T714-P718 WeakPolarHBondContact O-CD 3.13Å; A715-P718 VanDerWaalsContact O-CD 3.31Å; A715-P718 WeakPolarHBondContact O-CD 3.32Å; A715-P718 WeakPolarHBondContact O-CG 3.36Å; P718-S722 PolarHBondContact O-N 3.34Å
719L87.8Confident87.2Confident92 Ų9260.6 Ų60.648%0.48233%0.329SS..Hα-helixtrans-70.7-36.1178-70.4171.5000112.1A715 F716 L717 Y721 S722 A723 V731A715-L719 WeakPolarHBondContact O-CD1 3.34Å; A715-L719 WeakPolarHBondContact O-CG 3.31Å; F716-L719 PolarHBondContact O-N 3.06Å; F716-L719 VanDerWaalsContact O-N 3.15Å; L717-L719 VanDerWaalsContact C-N 3.34Å; L717-L719 PolarHBondContact O-N 3.48Å; L719-Y721 VanDerWaalsContact C-N 3.32Å; L719-Y721 PolarHBondContact O-N 2.95Å; L719-S722 PolarHBondContact O-N 2.93Å; L719-A723 VanDerWaalsContact O-CB 3.3Å; L719-A723 WeakPolarHBondContact O-CB 3.45Å; L719-A723 PolarHBondContact O-N 2.88Å; L719-V731 HydrophobicContact CB-CG1 3.74Å; L719-V731 HydrophobicContact CD1-CG1 4.27Å
720Y85.2Confident87.1Confident43 Ų4361 Ų6117%0.16933%0.333CS..Hα-helixtrans-59.6-40.6176.6-176.6-102.4000112.4D662 F668 F716 L717 T728 E732D662-Y720 PolarHBondContact OD2-OH 3.15Å; D662-Y720 VanDerWaalsContact OD2-OH 3.04Å; F668-Y720 HydrophobicContact CE1-CE1 4.33Å; F716-Y720 HydrophobicContact CE1-CD2 4.39Å; F716-Y720 HydrophobicContact CE1-CG 4.39Å; F716-Y720 AromaticContact CE2-CD2 3.94Å; F716-Y720 HydrophobicContact CE2-CD2 3.94Å; F716-Y720 HydrophobicContact CE2-CG 4.4Å; F716-Y720 AromaticContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CD2 3.51Å; F716-Y720 HydrophobicContact CZ-CE2 4.27Å; F716-Y720 AromaticContact CZ-CG 3.89Å; F716-Y720 HydrophobicContact CZ-CG 3.89Å; F716-Y720 WeakPolarHBondContact O-CB 3.48Å; F716-Y720 PolarHBondContact O-N 3.27Å; L717-Y720 PolarHBondContact O-N 3.24Å; Y720-T728 HydrophobicContact CD2-CG2 3.63Å; Y720-T728 HydrophobicContact CE2-CG2 3.64Å; Y720-T728 HydrophobicContact CG-CG2 4.45Å; Y720-E732 HydrophobicContact CD2-CG 4.41Å; Y720-E732 WeakPolarHBondContact CE2-OE1 3.48Å
721Y84Confident87.1Confident164 Ų16461.3 Ų61.364%0.64333%0.334SS*.Hα-helixtrans-78.2-25.5178.9-80.8-73.8000114.4F669 L717 L719F669-Y721 VanDerWaalsContact CE2-OH 3.22Å; F669-Y721 WeakPolarHBondContact CE2-OH 3.46Å; F669-Y721 HydrophobicContact CZ-CE2 4.09Å; F669-Y721 AromaticContact CZ-CZ 3.78Å; F669-Y721 WeakPolarHBondContact CZ-OH 3.37Å; L717-Y721 WeakPolarHBondContact O-CD2 3.49Å; L719-Y721 VanDerWaalsContact C-N 3.32Å; L719-Y721 PolarHBondContact O-N 2.95Å
722S85.1Confident87Confident95 Ų9559.1 Ų59.166%0.66432%0.318SS*.Hα-helixtrans-88.3-37-177.3-175.10000112.5P718 L719P718-S722 PolarHBondContact O-N 3.34Å; L719-S722 PolarHBondContact O-N 2.93Å
723A83.4Confident86.9Confident26 Ų2658.1 Ų58.122%0.21531%0.312CS..  trans-67.4142.8179.200000111.2L719 T728L719-A723 VanDerWaalsContact O-CB 3.3Å; L719-A723 WeakPolarHBondContact O-CB 3.45Å; L719-A723 PolarHBondContact O-N 2.88Å; A723-T728 PolarHBondContact O-OG1 2.89Å
724R78.9Confident87Confident183 Ų18362.5 Ų62.569%0.69133%0.332SS*.  trans-120.4152.5174.8-63.8-168.4-178.4-172.20.2110.9S727R724-S727 PolarHBondContact O-N 3.03Å
725G78.7Confident87.2Confident7 Ų758.2 Ų58.27%0.07231%0.306CS..THydrogen-bonded Turntrans57.7-135.5175.300000113.5S727 T728G725-S727 PolarHBondContact O-N 2.99Å; G725-T728 PolarHBondContact O-N 2.96Å
726K82.8Confident87.4Confident87 Ų8756 Ų5638%0.37829%0.287SS..Hα-helixtrans-64-21-175.865.1179.3-176.2174.30114.4L501 E505 T728 A730L501-K726 HydrophobicContact CB-CB 4.34Å; L501-K726 HydrophobicContact CD1-CB 4.45Å; E505-K726 IonicContact OE2-NZ 2.84Å; E505-K726 PolarHBondContact OE2-NZ 2.91Å; K726-T728 VanDerWaalsContact C-N 3.34Å; K726-T728 PolarHBondContact O-N 3.11Å; K726-A730 PolarHBondContact O-N 3.32Å
727S83.9Confident87.6Confident66 Ų6656.1 Ų56.146%0.46229%0.288SS..Hα-helixtrans-69-29.6178.9-62.50000112.9R724 G725 A730 V731R724-S727 PolarHBondContact O-N 3.03Å; G725-S727 PolarHBondContact O-N 2.99Å; S727-A730 PolarHBondContact O-N 3.15Å; S727-V731 WeakPolarHBondContact O-CG2 3.42Å; S727-V731 PolarHBondContact O-N 3.23Å; S727-V731 VanDerWaalsContact O-N 3.15Å
728T86.5Confident88Confident22 Ų2253.7 Ų53.714%0.13528%0.28CS..Hα-helixtrans-63.2-44.1178.4-510000111.2Y720 A723 G725 K726 V731 E732Y720-T728 HydrophobicContact CD2-CG2 3.63Å; Y720-T728 HydrophobicContact CE2-CG2 3.64Å; Y720-T728 HydrophobicContact CG-CG2 4.45Å; A723-T728 PolarHBondContact O-OG1 2.89Å; G725-T728 PolarHBondContact O-N 2.96Å; K726-T728 VanDerWaalsContact C-N 3.34Å; K726-T728 PolarHBondContact O-N 3.11Å; T728-V731 PolarHBondContact O-N 3.26Å; T728-E732 PolarHBondContact O-N 2.97Å
729V89Confident88.4Confident27 Ų2749.8 Ų49.816%0.16425%0.254CS..Hα-helixtrans-66.6-38177.5-176.30000111.6L501 F563 V731 E732 I733L501-V729 HydrophobicContact CD2-CG1 4.25Å; F563-V729 HydrophobicContact CB-CG1 3.9Å; F563-V729 HydrophobicContact CD1-CG1 4.39Å; F563-V729 VanDerWaalsContact O-CG1 3.29Å; F563-V729 WeakPolarHBondContact O-CG1 3.18Å; V729-V731 VanDerWaalsContact C-N 3.33Å; V729-V731 PolarHBondContact O-N 2.98Å; V729-E732 PolarHBondContact O-N 2.84Å; V729-I733 HydrophobicContact CG1-CD1 4.21Å; V729-I733 WeakPolarHBondContact O-CG1 3.49Å; V729-I733 PolarHBondContact O-N 3.19Å; V729-I733 VanDerWaalsContact O-N 3.15Å
730A90.2Very high88.7Confident13 Ų1345.4 Ų45.411%0.10723%0.232CC..Hα-helixtrans-63.2-38.6177.300000112.5L501 L507 L511 K726 S727 I733 F734L501-A730 HydrophobicContact CD1-CB 4.41Å; L501-A730 HydrophobicContact CD2-CB 4.38Å; L507-A730 HydrophobicContact CD2-CB 3.93Å; L511-A730 HydrophobicContact CD1-CB 4.47Å; K726-A730 PolarHBondContact O-N 3.32Å; S727-A730 PolarHBondContact O-N 3.15Å; A730-I733 PolarHBondContact O-N 2.97Å; A730-F734 WeakPolarHBondContact O-CB 3.42Å; A730-F734 PolarHBondContact O-N 3.46Å
731V91.5Very high89.1Confident33 Ų3345.2 Ų45.220%0.224%0.239CC..Hα-helixtrans-64.8-39.7176.5170.90000111.4F716 L719 S727 T728 V729 F734 S735F716-V731 HydrophobicContact CD2-CG1 3.93Å; F716-V731 HydrophobicContact CE2-CG1 4.27Å; L719-V731 HydrophobicContact CB-CG1 3.74Å; L719-V731 HydrophobicContact CD1-CG1 4.27Å; S727-V731 WeakPolarHBondContact O-CG2 3.42Å; S727-V731 PolarHBondContact O-N 3.23Å; S727-V731 VanDerWaalsContact O-N 3.15Å; T728-V731 PolarHBondContact O-N 3.26Å; V729-V731 VanDerWaalsContact C-N 3.33Å; V729-V731 PolarHBondContact O-N 2.98Å; V731-F734 PolarHBondContact O-N 3.42Å; V731-S735 PolarHBondContact O-N 3.2Å; V731-S735 VanDerWaalsContact O-N 3.08Å; V731-S735 PolarHBondContact O-OG 2.9Å; V731-S735 VanDerWaalsContact O-OG 3.13Å
732E90.9Very high89.5Confident8 Ų837.8 Ų37.84%0.03721%0.212CC..Hα-helixtrans-60.2-50.3174.7-73.1-176.4150.400111.9F563 Q576 F716 Y720 T728 V729 F734 S735 I736F563-E732 VanDerWaalsContact CD1-OE2 3.32Å; F563-E732 WeakPolarHBondContact CD1-OE2 3.12Å; F563-E732 HydrophobicContact CE1-CB 4.47Å; F563-E732 WeakPolarHBondContact CE1-OE2 3.34Å; Q576-E732 PolarHBondContact NE2-OE1 3.38Å; F716-E732 HydrophobicContact CE2-CB 4.24Å; F716-E732 HydrophobicContact CE2-CG 3.43Å; F716-E732 VanDerWaalsContact CE2-CG 3.43Å; F716-E732 HydrophobicContact CZ-CG 3.67Å; Y720-E732 HydrophobicContact CD2-CG 4.41Å; Y720-E732 WeakPolarHBondContact CE2-OE1 3.48Å; T728-E732 PolarHBondContact O-N 2.97Å; V729-E732 PolarHBondContact O-N 2.84Å; E732-F734 VanDerWaalsContact C-N 3.31Å; E732-F734 PolarHBondContact O-N 2.89Å; E732-S735 PolarHBondContact O-N 3.36Å; E732-I736 WeakPolarHBondContact O-CG1 3.34Å; E732-I736 PolarHBondContact O-N 3.35Å
733I93.2Very high89.8Confident0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-59.7-44.3179.5-65.8166.2000110.7L501 L511 A560 F563 L564 V729 A730 S735 I736 L737L501-I733 HydrophobicContact CD2-CD1 3.78Å; L511-I733 HydrophobicContact CB-CG2 4Å; L511-I733 HydrophobicContact CD1-CB 4.27Å; L511-I733 HydrophobicContact CD1-CD1 4.25Å; L511-I733 HydrophobicContact CD1-CG2 4.02Å; L511-I733 HydrophobicContact CD2-CG2 4.09Å; L511-I733 HydrophobicContact CG-CG2 4.26Å; A560-I733 HydrophobicContact CB-CG2 3.97Å; F563-I733 HydrophobicContact CB-CD1 3.73Å; F563-I733 HydrophobicContact CB-CG1 3.65Å; F563-I733 HydrophobicContact CG-CG1 4.25Å; L564-I733 HydrophobicContact CD2-CD1 4.29Å; L564-I733 HydrophobicContact CG-CD1 3.94Å; V729-I733 HydrophobicContact CG1-CD1 4.21Å; V729-I733 WeakPolarHBondContact O-CG1 3.49Å; V729-I733 PolarHBondContact O-N 3.19Å; V729-I733 VanDerWaalsContact O-N 3.15Å; A730-I733 PolarHBondContact O-N 2.97Å; I733-S735 VanDerWaalsContact C-N 3.34Å; I733-S735 PolarHBondContact O-N 3.14Å; I733-I736 PolarHBondContact O-N 3.38Å; I733-L737 HydrophobicContact CG2-CD1 3.75Å; I733-L737 HydrophobicContact CG2-CG 4.21Å; I733-L737 WeakPolarHBondContact O-CG 3.41Å; I733-L737 PolarHBondContact O-N 3.11Å
734F92.7Very high90.2Very high133 Ų13332.7 Ų32.758%0.58317%0.174SC*.Hα-helixtrans-59.2-45.3178.5-176.9-94.4000111.8A730 V731 E732 I736 L737 A738A730-F734 WeakPolarHBondContact O-CB 3.42Å; A730-F734 PolarHBondContact O-N 3.46Å; V731-F734 PolarHBondContact O-N 3.42Å; E732-F734 VanDerWaalsContact C-N 3.31Å; E732-F734 PolarHBondContact O-N 2.89Å; F734-I736 PolarHBondContact O-N 3.49Å; F734-L737 PolarHBondContact O-N 3.31Å; F734-A738 HydrophobicContact CE1-CB 4.48Å; F734-A738 VanDerWaalsContact O-CB 3.25Å; F734-A738 WeakPolarHBondContact O-CB 3.42Å; F734-A738 PolarHBondContact O-N 3.2Å
735S93.5Very high90.7Very high5 Ų524.9 Ų24.94%0.03515%0.15CC..Hα-helixtrans-62.5-40.3178.2-66.20000112.8V712 V731 E732 I733 S739V712-S735 WeakPolarHBondContact CG1-O 3.17Å; V731-S735 PolarHBondContact O-N 3.2Å; V731-S735 VanDerWaalsContact O-N 3.08Å; V731-S735 PolarHBondContact O-OG 2.9Å; V731-S735 VanDerWaalsContact O-OG 3.13Å; E732-S735 PolarHBondContact O-N 3.36Å; I733-S735 VanDerWaalsContact C-N 3.34Å; I733-S735 PolarHBondContact O-N 3.14Å; S735-S739 VanDerWaalsContact O-CB 3.24Å; S735-S739 WeakPolarHBondContact O-CB 3.27Å; S735-S739 PolarHBondContact O-N 2.97Å; S735-S739 VanDerWaalsContact O-N 3.07Å; S735-S739 PolarHBondContact O-OG 3.49Å
736I94.1Very high91.2Very high2 Ų225 Ų251%0.0115%0.151CC..Hα-helixtrans-62-50.7175.6-71.1169.3000110.8C556 A560 F563 F579 F583 W713 E732 I733 F734 T740C556-I736 VanDerWaalsContact O-CG2 3.26Å; C556-I736 WeakPolarHBondContact O-CG2 3.37Å; A560-I736 HydrophobicContact CB-CG2 4.41Å; F563-I736 HydrophobicContact CD2-CD1 4.45Å; F563-I736 HydrophobicContact CE2-CD1 3.88Å; F563-I736 HydrophobicContact CZ-CD1 4.14Å; F579-I736 HydrophobicContact CD2-CD1 3.68Å; F579-I736 HydrophobicContact CD2-CG1 3.66Å; F579-I736 HydrophobicContact CE2-CD1 4.25Å; F579-I736 HydrophobicContact CE2-CG1 3.75Å; F579-I736 HydrophobicContact CG-CD1 4.19Å; F583-I736 HydrophobicContact CE2-CG1 4.46Å; F583-I736 HydrophobicContact CE2-CG2 3.87Å; F583-I736 HydrophobicContact CZ-CB 4.37Å; F583-I736 HydrophobicContact CZ-CG2 3.96Å; W713-I736 HydrophobicContact CH2-CG1 4.19Å; W713-I736 HydrophobicContact CZ2-CG1 4.34Å; E732-I736 WeakPolarHBondContact O-CG1 3.34Å; E732-I736 PolarHBondContact O-N 3.35Å; I733-I736 PolarHBondContact O-N 3.38Å; F734-I736 PolarHBondContact O-N 3.49Å; I736-T740 WeakPolarHBondContact O-CB 3.42Å; I736-T740 PolarHBondContact O-N 3.24Å; I736-T740 PolarHBondContact O-OG1 3.44Å
737L94.9Very high91.4Very high9 Ų921.2 Ų21.25%0.04714%0.135CC..Hα-helixtrans-68.4-43.3-176.7-64.9177.4000111.9L511 V514 A515 L518 A560 I733 F734 S739 T740 A741L511-L737 HydrophobicContact CD2-CD1 4.37Å; V514-L737 HydrophobicContact CB-CD1 4.28Å; V514-L737 HydrophobicContact CG1-CD1 4.04Å; A515-L737 HydrophobicContact CB-CD1 4.43Å; A515-L737 HydrophobicContact CB-CD2 3.77Å; L518-L737 HydrophobicContact CD1-CB 4.19Å; L518-L737 HydrophobicContact CD1-CD2 4.18Å; A560-L737 HydrophobicContact CB-CD2 4.01Å; A560-L737 HydrophobicContact CB-CG 4.32Å; I733-L737 HydrophobicContact CG2-CD1 3.75Å; I733-L737 HydrophobicContact CG2-CG 4.21Å; I733-L737 WeakPolarHBondContact O-CG 3.41Å; I733-L737 PolarHBondContact O-N 3.11Å; F734-L737 PolarHBondContact O-N 3.31Å; L737-S739 PolarHBondContact O-N 3.35Å; L737-T740 PolarHBondContact O-N 3.14Å; L737-A741 WeakPolarHBondContact O-CB 3.15Å; L737-A741 PolarHBondContact O-N 2.85Å
738A94.8Very high91.7Very high29 Ų2918.1 Ų18.124%0.2411%0.113CC..Hα-helixtrans-61.8-43.8177.300000111.8V712 F734 A741 G742V712-A738 HydrophobicContact CG1-CB 4.36Å; V712-A738 HydrophobicContact CG2-CB 4.23Å; F734-A738 HydrophobicContact CE1-CB 4.48Å; F734-A738 VanDerWaalsContact O-CB 3.25Å; F734-A738 WeakPolarHBondContact O-CB 3.42Å; F734-A738 PolarHBondContact O-N 3.2Å; A738-A741 PolarHBondContact O-N 3.05Å; A738-G742 PolarHBondContact O-N 2.95Å
739S94.4Very high91.7Very high1 Ų122.5 Ų22.51%0.00714%0.135CC..Hα-helixtrans-63.7-42.3176.6-62.70000112.1W713 S735 L737 G742 L743W713-S739 PolarHBondContact NE1-OG 3.03Å; S735-S739 VanDerWaalsContact O-CB 3.24Å; S735-S739 WeakPolarHBondContact O-CB 3.27Å; S735-S739 PolarHBondContact O-N 2.97Å; S735-S739 VanDerWaalsContact O-N 3.07Å; S735-S739 PolarHBondContact O-OG 3.49Å; L737-S739 PolarHBondContact O-N 3.35Å; S739-G742 PolarHBondContact O-N 3.29Å; S739-L743 WeakPolarHBondContact O-CG 3.35Å; S739-L743 PolarHBondContact O-N 3.49Å
740T94.3Very high91.4Very high1 Ų122.8 Ų22.81%0.00614%0.137CC..Hα-helixtrans-65.8-44.9178.6-56.30000111.3L553 C556 A557 I736 L737 G742 L743 L744L553-T740 HydrophobicContact CB-CG2 4.25Å; L553-T740 HydrophobicContact CD2-CG2 4.06Å; L553-T740 VanDerWaalsContact O-CG2 3.28Å; L553-T740 WeakPolarHBondContact O-CG2 3.24Å; C556-T740 HydrophobicContact CB-CG2 4.13Å; C556-T740 WeakPolarHBondContact CB-OG1 3.17Å; A557-T740 HydrophobicContact CB-CG2 4.2Å; I736-T740 WeakPolarHBondContact O-CB 3.42Å; I736-T740 PolarHBondContact O-N 3.24Å; I736-T740 PolarHBondContact O-OG1 3.44Å; L737-T740 PolarHBondContact O-N 3.14Å; T740-G742 VanDerWaalsContact C-N 3.32Å; T740-G742 PolarHBondContact O-N 3.14Å; T740-L743 PolarHBondContact O-N 3.17Å; T740-L744 VanDerWaalsContact O-CB 3.28Å; T740-L744 WeakPolarHBondContact O-CB 3.46Å; T740-L744 PolarHBondContact O-N 3.41Å
741A94.1Very high91.1Very high38 Ų3822.8 Ų22.831%0.31414%0.135SC..Hα-helixtrans-61.5-40.3175.100000111.8L518 L737 A738 G745L518-A741 HydrophobicContact CD1-CB 4.1Å; L518-A741 HydrophobicContact CD2-CB 3.85Å; L737-A741 WeakPolarHBondContact O-CB 3.15Å; L737-A741 PolarHBondContact O-N 2.85Å; A738-A741 PolarHBondContact O-N 3.05Å; A741-G745 WeakPolarHBondContact O-CA 3.37Å; A741-G745 PolarHBondContact O-N 2.69Å
742G92.3Very high90.8Very high8 Ų822.2 Ų22.28%0.08213%0.132CC..Hα-helixtrans-63.6-44177.400000114.4S705 L708 A738 S739 T740 G746S705-G742 PolarHBondContact OG-O 3.43Å; L708-G742 VanDerWaalsContact CD2-CA 3.44Å; A738-G742 PolarHBondContact O-N 2.95Å; S739-G742 PolarHBondContact O-N 3.29Å; T740-G742 VanDerWaalsContact C-N 3.32Å; T740-G742 PolarHBondContact O-N 3.14Å; G742-G746 PolarHBondContact O-N 2.8Å; G742-G746 VanDerWaalsContact O-N 3.08Å
743L92.1Very high90.5Very high0 Ų027.7 Ų27.70%015%0.153CC..Hα-helixtrans-69.4-45.6176.1-72.4172.2000111.6L553 V590 M706 F709 S739 T740 I747L553-L743 HydrophobicContact CD1-CB 4.31Å; L553-L743 HydrophobicContact CD2-CB 3.67Å; L553-L743 HydrophobicContact CD2-CD1 3.89Å; L553-L743 HydrophobicContact CD2-CG 4.45Å; V590-L743 HydrophobicContact CG2-CD2 4.32Å; M706-L743 HydrophobicContact SD-CD2 4.11Å; F709-L743 HydrophobicContact CD2-CD1 3.84Å; F709-L743 HydrophobicContact CD2-CG 4.26Å; F709-L743 HydrophobicContact CE2-CD1 4.13Å; S739-L743 WeakPolarHBondContact O-CG 3.35Å; S739-L743 PolarHBondContact O-N 3.49Å; T740-L743 PolarHBondContact O-N 3.17Å; L743-I747 HydrophobicContact CD2-CD1 4.16Å; L743-I747 VanDerWaalsContact O-CB 3.28Å; L743-I747 WeakPolarHBondContact O-CB 3.21Å; L743-I747 VanDerWaalsContact O-CG1 3.31Å; L743-I747 WeakPolarHBondContact O-CG1 3.38Å; L743-I747 PolarHBondContact O-N 3.33Å
744L92.5Very high89.9Confident14 Ų1428.7 Ų28.77%0.07316%0.158CC..Hα-helixtrans-63-47.8178.1-176.364.5000111.1L521 A522 L550 L553 T740 F748L521-L744 HydrophobicContact CB-CD2 4.12Å; A522-L744 HydrophobicContact CB-CD1 4.14Å; A522-L744 HydrophobicContact CB-CD2 4.19Å; L550-L744 HydrophobicContact CD2-CD1 3.83Å; L553-L744 HydrophobicContact CD1-CB 4.22Å; L553-L744 HydrophobicContact CD1-CD1 4.27Å; T740-L744 VanDerWaalsContact O-CB 3.28Å; T740-L744 WeakPolarHBondContact O-CB 3.46Å; T740-L744 PolarHBondContact O-N 3.41Å; L744-F748 HydrophobicContact CD1-CD2 4.08Å; L744-F748 WeakPolarHBondContact O-CB 3.26Å; L744-F748 PolarHBondContact O-N 2.95Å; L744-F748 VanDerWaalsContact O-N 3.1Å
745G89.3Confident89.4Confident19 Ų1922.8 Ų22.820%0.19613%0.133CC..Hα-helixtrans-64-56.9-176.500000112.6A741 I747 I749A741-G745 WeakPolarHBondContact O-CA 3.37Å; A741-G745 PolarHBondContact O-N 2.69Å; G745-I747 PolarHBondContact O-N 2.92Å; G745-I749 VanDerWaalsContact CA-CD1 3.46Å; G745-I749 WeakPolarHBondContact O-CB 3.31Å; G745-I749 WeakPolarHBondContact O-CD1 3.08Å; G745-I749 VanDerWaalsContact O-CG1 3.23Å; G745-I749 WeakPolarHBondContact O-CG1 3.13Å; G745-I749 PolarHBondContact O-N 3.18Å
746G87.4Confident88.9Confident9 Ų927.3 Ų27.39%0.09316%0.156CC..Hα-helixtrans-68.8-35.9-175.700000113.4F701 S705 G742F701-G746 WeakPolarHBondContact CB-O 3.3Å; S705-G746 VanDerWaalsContact OG-CA 3.24Å; S705-G746 WeakPolarHBondContact OG-CA 3.3Å; G742-G746 PolarHBondContact O-N 2.8Å; G742-G746 VanDerWaalsContact O-N 3.08Å
747I88.4Confident88.3Confident8 Ų832.8 Ų32.84%0.04118%0.184CC..Hα-helixtrans-82.7-37.2-175-59.4174.2000112.5L549 V590 L743 G745 K751L549-I747 HydrophobicContact CD2-CD1 3.9Å; L549-I747 HydrophobicContact CD2-CG2 4.24Å; V590-I747 HydrophobicContact CG2-CD1 3.79Å; L743-I747 HydrophobicContact CD2-CD1 4.16Å; L743-I747 VanDerWaalsContact O-CB 3.28Å; L743-I747 WeakPolarHBondContact O-CB 3.21Å; L743-I747 VanDerWaalsContact O-CG1 3.31Å; L743-I747 WeakPolarHBondContact O-CG1 3.38Å; L743-I747 PolarHBondContact O-N 3.33Å; G745-I747 PolarHBondContact O-N 2.92Å; I747-K751 WeakPolarHBondContact O-CD 3.09Å
748F89.1Confident87.5Confident1 Ų135.7 Ų35.70%0.00420%0.197CC..Hα-helixtrans-110.1-24.3-168.3-64.8-82.6000115.3V525 F529 L549 L550 L553 L744 K751 C752V525-F748 HydrophobicContact CG1-CB 3.94Å; V525-F748 HydrophobicContact CG1-CD1 4.02Å; V525-F748 HydrophobicContact CG1-CG 4.1Å; F529-F748 HydrophobicContact CE1-CD1 4.23Å; F529-F748 HydrophobicContact CE1-CE1 4.16Å; F529-F748 AromaticContact CE2-CD1 3.9Å; F529-F748 HydrophobicContact CE2-CD1 3.9Å; F529-F748 AromaticContact CZ-CD1 3.62Å; F529-F748 HydrophobicContact CZ-CD1 3.62Å; F529-F748 HydrophobicContact CZ-CE1 4.02Å; L549-F748 HydrophobicContact CB-CZ 4.33Å; L549-F748 HydrophobicContact CD2-CE2 3.69Å; L549-F748 HydrophobicContact CD2-CZ 3.76Å; L549-F748 HydrophobicContact CG-CE2 3.95Å; L549-F748 HydrophobicContact CG-CZ 4.07Å; L550-F748 HydrophobicContact CD1-CD1 4.17Å; L550-F748 HydrophobicContact CD1-CE1 3.68Å; L550-F748 HydrophobicContact CD1-CZ 4.02Å; L550-F748 HydrophobicContact CD2-CD1 4.03Å; L550-F748 HydrophobicContact CD2-CD2 3.81Å; L550-F748 HydrophobicContact CD2-CE1 3.9Å; L550-F748 HydrophobicContact CD2-CE2 3.66Å; L550-F748 HydrophobicContact CD2-CG 3.99Å; L550-F748 HydrophobicContact CD2-CZ 3.7Å; L550-F748 HydrophobicContact CG-CD1 4.28Å; L550-F748 HydrophobicContact CG-CE1 3.68Å; L550-F748 HydrophobicContact CG-CE2 3.95Å; L550-F748 HydrophobicContact CG-CZ 3.49Å; L550-F748 VanDerWaalsContact CG-CZ 3.49Å; L553-F748 HydrophobicContact CD1-CE2 4.06Å; L744-F748 HydrophobicContact CD1-CD2 4.08Å; L744-F748 WeakPolarHBondContact O-CB 3.26Å; L744-F748 PolarHBondContact O-N 2.95Å; L744-F748 VanDerWaalsContact O-N 3.1Å; F748-K751 PolarHBondContact O-N 3.15Å; F748-C752 PolarHBondContact O-N 3.45Å; F748-C752 PolarHBondContact O-SG 3Å
749I86.5Confident86.5Confident115 Ų11538.2 Ų38.259%0.5921%0.21SC*.Hα-helixtrans-59-48.8178.3-66.8173000111.9G745 K751 C752 Y753G745-I749 VanDerWaalsContact CA-CD1 3.46Å; G745-I749 WeakPolarHBondContact O-CB 3.31Å; G745-I749 WeakPolarHBondContact O-CD1 3.08Å; G745-I749 VanDerWaalsContact O-CG1 3.23Å; G745-I749 WeakPolarHBondContact O-CG1 3.13Å; G745-I749 PolarHBondContact O-N 3.18Å; I749-K751 PolarHBondContact O-N 2.7Å; I749-C752 PolarHBondContact O-N 3.08Å; I749-Y753 WeakPolarHBondContact O-CB 3.32Å; I749-Y753 PolarHBondContact O-N 2.71Å
750P83.5Confident85.2Confident32 Ų3242.9 Ų42.921%0.20823%0.232CC..Hα-helixtrans-60-32.2178.7-23.334.3000112.7F701 I754F701-P750 HydrophobicContact CD1-CG 4Å; F701-P750 HydrophobicContact CD2-CB 4.41Å; F701-P750 HydrophobicContact CD2-CG 3.94Å; F701-P750 HydrophobicContact CE1-CG 3.97Å; F701-P750 HydrophobicContact CE2-CB 4.19Å; F701-P750 HydrophobicContact CE2-CG 3.9Å; F701-P750 HydrophobicContact CG-CG 4Å; F701-P750 HydrophobicContact CZ-CG 3.91Å; P750-I754 WeakPolarHBondContact O-CG1 3.3Å; P750-I754 PolarHBondContact O-N 2.95Å
751K84.6Confident83.8Confident14 Ų1446.8 Ų46.86%0.06125%0.249CC..Hα-helixtrans-77.7-41.6-178.1-64.1-177.3173.7-178.70112.2F529 N541 E698 I747 F748 I749 Y753 I754 I755F529-K751 HydrophobicContact CZ-CB 4.02Å; F529-K751 HydrophobicContact CZ-CD 4.34Å; N541-K751 WeakPolarHBondContact ND2-CD 3.43Å; N541-K751 PolarHBondContact ND2-NZ 2.69Å; N541-K751 PolarHBondContact OD1-NZ 2.82Å; E698-K751 IonicContact OE1-NZ 3.23Å; E698-K751 PolarHBondContact OE1-NZ 3.35Å; E698-K751 VanDerWaalsContact OE2-CE 3.26Å; E698-K751 WeakPolarHBondContact OE2-CE 3.41Å; E698-K751 IonicContact OE2-NZ 2.72Å; E698-K751 PolarHBondContact OE2-NZ 2.58Å; I747-K751 WeakPolarHBondContact O-CD 3.09Å; F748-K751 PolarHBondContact O-N 3.15Å; I749-K751 PolarHBondContact O-N 2.7Å; K751-Y753 VanDerWaalsContact C-N 3.31Å; K751-I754 PolarHBondContact O-N 2.97Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.45Å; K751-I755 PolarHBondContact O-N 3.15Å
752C85.1Confident82.6Confident20 Ų2046.1 Ų46.114%0.13524%0.24CC..Hα-helixtrans-65.1-38.3173.8-63.40000111.1F748 I749 I754 I755 L756F748-C752 PolarHBondContact O-N 3.45Å; F748-C752 PolarHBondContact O-SG 3Å; I749-C752 PolarHBondContact O-N 3.08Å; C752-I754 VanDerWaalsContact C-N 3.33Å; C752-I754 PolarHBondContact O-N 3.5Å; C752-I755 PolarHBondContact O-N 2.75Å; C752-L756 WeakPolarHBondContact O-CB 3.46Å; C752-L756 WeakPolarHBondContact O-CG 3.39Å; C752-L756 PolarHBondContact O-N 3.3Å
753Y84.1Confident81.4Confident123 Ų12348.1 Ų48.148%0.48225%0.251SS..Hα-helixtrans-57.2-45.2174.1-178.9-95.1000111.6I749 K751 L757 K758I749-Y753 WeakPolarHBondContact O-CB 3.32Å; I749-Y753 PolarHBondContact O-N 2.71Å; K751-Y753 VanDerWaalsContact C-N 3.31Å; Y753-L757 HydrophobicContact CD2-CB 4.36Å; Y753-L757 HydrophobicContact CD2-CD1 3.53Å; Y753-L757 HydrophobicContact CE2-CB 4.29Å; Y753-L757 HydrophobicContact CE2-CD1 3.66Å; Y753-L757 HydrophobicContact CG-CD1 4.49Å; Y753-L757 WeakPolarHBondContact O-CA 3.07Å; Y753-L757 WeakPolarHBondContact O-CB 3.32Å; Y753-L757 PolarHBondContact O-N 2.03Å; Y753-K758 HydrophobicContact CD1-CG 4.43Å; Y753-K758 HydrophobicContact CE1-CG 3.81Å; Y753-K758 PolarHBondContact O-N 3.21Å
754I79.8Confident79.9Confident21 Ų2152.1 Ų52.111%0.10828%0.277CS..Hα-helixtrans-68.9-44.7178.7-65.5167.9000111.9V537 F696 P750 K751 C752 L756 K758 K761V537-I754 HydrophobicContact CG2-CG2 4.18Å; F696-I754 HydrophobicContact CD1-CD1 3.41Å; F696-I754 VanDerWaalsContact CD1-CD1 3.41Å; F696-I754 HydrophobicContact CE1-CD1 3.7Å; F696-I754 HydrophobicContact CG-CD1 4.38Å; P750-I754 WeakPolarHBondContact O-CG1 3.3Å; P750-I754 PolarHBondContact O-N 2.95Å; K751-I754 PolarHBondContact O-N 2.97Å; C752-I754 VanDerWaalsContact C-N 3.33Å; C752-I754 PolarHBondContact O-N 3.5Å; I754-L756 PolarHBondContact O-N 3.1Å; I754-K758 CarbonylContact O-C 3.6Å; I754-K758 PolarHBondContact O-N 2.87Å; I754-K761 HydrophobicContact CG2-CB 4.21Å
755I82.6Confident78.3Confident10 Ų1055.5 Ų55.55%0.05130%0.302CS..Hα-helixtrans-65.3-39-177.7-67.7166.3000111.8V528 F529 H532 V537 V538 K751 C752V528-I755 HydrophobicContact CG1-CG2 4.12Å; F529-I755 HydrophobicContact CE2-CD1 4.26Å; F529-I755 HydrophobicContact CZ-CD1 4.42Å; H532-I755 HydrophobicContact CB-CG2 4.11Å; V537-I755 HydrophobicContact CB-CG1 4.49Å; V537-I755 HydrophobicContact CG1-CD1 4.31Å; V537-I755 HydrophobicContact CG1-CG1 4.23Å; V538-I755 HydrophobicContact CG2-CD1 3.73Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.45Å; K751-I755 PolarHBondContact O-N 3.15Å; C752-I755 PolarHBondContact O-N 2.75Å
756L82.8Confident76.9Confident100 Ų10058.4 Ų58.452%0.52431%0.307SS..Hα-helixtrans-97.3-37-172.2-62.7174000114.1V528 C752 I754V528-L756 HydrophobicContact CG1-CD2 4.31Å; C752-L756 WeakPolarHBondContact O-CB 3.46Å; C752-L756 WeakPolarHBondContact O-CG 3.39Å; C752-L756 PolarHBondContact O-N 3.3Å; I754-L756 PolarHBondContact O-N 3.1Å
757L82.3Confident75.6Confident116 Ų11659.5 Ų59.561%0.60731%0.31SS*.Hα-helixtrans-111.2-13.2-170.3-62.5170.2000113.9Y753Y753-L757 HydrophobicContact CD2-CB 4.36Å; Y753-L757 HydrophobicContact CD2-CD1 3.53Å; Y753-L757 HydrophobicContact CE2-CB 4.29Å; Y753-L757 HydrophobicContact CE2-CD1 3.66Å; Y753-L757 HydrophobicContact CG-CD1 4.49Å; Y753-L757 WeakPolarHBondContact O-CA 3.07Å; Y753-L757 WeakPolarHBondContact O-CB 3.32Å; Y753-L757 PolarHBondContact O-N 2.03Å
758K77.3Confident74.1Confident71 Ų7166.7 Ų66.731%0.30934%0.341SS..  trans-135.258.8-178-67.6-68.8-178.1-1730113.2Y753 I754 E760 K761Y753-K758 HydrophobicContact CD1-CG 4.43Å; Y753-K758 HydrophobicContact CE1-CG 3.81Å; Y753-K758 PolarHBondContact O-N 3.21Å; I754-K758 CarbonylContact O-C 3.6Å; I754-K758 PolarHBondContact O-N 2.87Å; K758-E760 WeakPolarHBondContact CA-OE2 3.27Å; K758-E760 WeakPolarHBondContact CD-OE1 3.39Å; K758-E760 IonicContact NZ-OE1 2.77Å; K758-E760 PolarHBondContact NZ-OE1 3.18Å; K758-E760 VanDerWaalsContact NZ-OE1 3.08Å; K758-E760 PolarHBondContact O-N 3.4Å; K758-E760 VanDerWaalsContact O-N 3.12Å; K758-K761 PolarHBondContact O-N 3.27Å; K758-K761 VanDerWaalsContact O-N 3.08Å
759P73Confident72.3Confident81 Ų8173.4 Ų73.453%0.52637%0.373SS..G310 helixtrans-59.6-23.7-177.925.6-34.3000113.8K761 N762P759-K761 PolarHBondContact O-N 2.91Å; P759-N762 WeakPolarHBondContact O-CB 3.47Å; P759-N762 PolarHBondContact O-N 3.26Å
760E69Low70.5Confident100 Ų10069.8 Ų69.847%0.46736%0.363SS..G310 helixtrans-61.5-27.6175.866-85.2-160.500113.5K758 N762K758-E760 WeakPolarHBondContact CA-OE2 3.27Å; K758-E760 WeakPolarHBondContact CD-OE1 3.39Å; K758-E760 IonicContact NZ-OE1 2.77Å; K758-E760 PolarHBondContact NZ-OE1 3.18Å; K758-E760 VanDerWaalsContact NZ-OE1 3.08Å; K758-E760 PolarHBondContact O-N 3.4Å; K758-E760 VanDerWaalsContact O-N 3.12Å; E760-N762 VanDerWaalsContact C-N 3.33Å
761K64.3Low68.5Low82 Ų8274.8 Ų74.836%0.35738%0.384SS..G310 helixtrans-88.71.5175.9-63.7-173.6177-175.40113.2I754 K758 P759 W766I754-K761 HydrophobicContact CG2-CB 4.21Å; K758-K761 PolarHBondContact O-N 3.27Å; K758-K761 VanDerWaalsContact O-N 3.08Å; P759-K761 PolarHBondContact O-N 2.91Å; K761-W766 HydrophobicContact CB-CD2 4.12Å; K761-W766 HydrophobicContact CB-CE3 4Å; K761-W766 HydrophobicContact CB-CH2 4.41Å; K761-W766 HydrophobicContact CB-CZ2 4.49Å; K761-W766 HydrophobicContact CB-CZ3 4.16Å; K761-W766 HydrophobicContact CD-CH2 3.87Å; K761-W766 HydrophobicContact CD-CZ2 3.75Å; K761-W766 HydrophobicContact CD-CZ3 4.42Å; K761-W766 HydrophobicContact CG-CD2 4.17Å; K761-W766 HydrophobicContact CG-CE3 4.42Å; K761-W766 HydrophobicContact CG-CH2 4.23Å; K761-W766 HydrophobicContact CG-CZ2 3.92Å; K761-W766 HydrophobicContact CG-CZ3 4.45Å
762N67.6Low66.2Low24 Ų2482.5 Ų82.513%0.12842%0.42CS..SBendtrans-102.338.1-177.4-163.313.6000112.2T535 P536 V537 P759 E760T535-N762 WeakPolarHBondContact CB-OD1 2.9Å; T535-N762 WeakPolarHBondContact CG2-ND2 3.27Å; P536-N762 WeakPolarHBondContact CD-OD1 3.18Å; V537-N762 HydrophobicContact CG2-CB 4.49Å; V537-N762 VanDerWaalsContact CG2-OD1 3.28Å; V537-N762 WeakPolarHBondContact CG2-OD1 3.42Å; P759-N762 WeakPolarHBondContact O-CB 3.47Å; P759-N762 PolarHBondContact O-N 3.26Å; E760-N762 VanDerWaalsContact C-N 3.33Å
763T69.1Low63.7Low51 Ų5192.2 Ų92.231%0.31347%0.468SS..SBendtrans-119.4149.5-178.756.20000112.1S765 W766 L767T763-S765 PolarHBondContact O-N 2.87Å; T763-S765 PolarHBondContact OG1-OG 2.91Å; T763-W766 PolarHBondContact O-N 2.85Å; T763-L767 PolarHBondContact O-N 3.25Å
764P60.3Low62.7Low84 Ų8490.7 Ų90.755%0.54547%0.467SS..Hα-helixtrans-62.9-27.1179.7-19.630.6000114.1P536P536-P764 HydrophobicContact CG-CG 4.07Å
765S57.7Low61.8Low84 Ų8494.3 Ų94.359%0.58749%0.486SS*.Hα-helixtrans-70.4-41.5178.944.70000112.2T763 K768 Q769T763-S765 PolarHBondContact O-N 2.87Å; T763-S765 PolarHBondContact OG1-OG 2.91Å; S765-K768 PolarHBondContact O-N 3.46Å; S765-Q769 PolarHBondContact O-N 2.69Å
766W61.3Low60.6Low80 Ų8099 Ų9930%0.30351%0.51SS..Hα-helixtrans-69-36.6178.9-162.982.5000112.3V695 F696 K761 T763 K768 Q769V695-W766 HydrophobicContact CG1-CE3 4.17Å; V695-W766 HydrophobicContact CG1-CH2 4.28Å; V695-W766 HydrophobicContact CG1-CZ3 3.59Å; F696-W766 HydrophobicContact CD1-CZ3 4.31Å; F696-W766 HydrophobicContact CE1-CE3 4.38Å; F696-W766 HydrophobicContact CE1-CH2 4.37Å; F696-W766 AromaticContact CE1-CZ3 3.55Å; F696-W766 HydrophobicContact CE1-CZ3 3.55Å; F696-W766 HydrophobicContact CZ-CZ3 4.03Å; K761-W766 HydrophobicContact CB-CD2 4.12Å; K761-W766 HydrophobicContact CB-CE3 4Å; K761-W766 HydrophobicContact CB-CH2 4.41Å; K761-W766 HydrophobicContact CB-CZ2 4.49Å; K761-W766 HydrophobicContact CB-CZ3 4.16Å; K761-W766 HydrophobicContact CD-CH2 3.87Å; K761-W766 HydrophobicContact CD-CZ2 3.75Å; K761-W766 HydrophobicContact CD-CZ3 4.42Å; K761-W766 HydrophobicContact CG-CD2 4.17Å; K761-W766 HydrophobicContact CG-CE3 4.42Å; K761-W766 HydrophobicContact CG-CH2 4.23Å; K761-W766 HydrophobicContact CG-CZ2 3.92Å; K761-W766 HydrophobicContact CG-CZ3 4.45Å; T763-W766 PolarHBondContact O-N 2.85Å; W766-K768 VanDerWaalsContact C-N 3.32Å; W766-K768 PolarHBondContact O-N 3.43Å; W766-Q769 PolarHBondContact O-N 3.31Å
767L59.3Low59.3Low32 Ų3298.9 Ų98.917%0.16851%0.509CS..Hα-helixtrans-64.4-31175.6-78.5165.1000113.9P536 V695 F696 T763P536-L767 HydrophobicContact CB-CD1 3.27Å; P536-L767 HydrophobicContact CG-CD1 4.5Å; V695-L767 HydrophobicContact CG1-CD2 4.18Å; F696-L767 HydrophobicContact CE2-CD2 3.46Å; F696-L767 VanDerWaalsContact CE2-CD2 3.46Å; F696-L767 HydrophobicContact CZ-CD2 3.52Å; T763-L767 PolarHBondContact O-N 3.25Å
768K56Low57.9Low159 Ų15997.9 Ų97.969%0.69150%0.503SS*.Hα-helixtrans-79.5-23.3179.2-73.6-178.8178.9-175.80113.4S765 W766 G770 H771S765-K768 PolarHBondContact O-N 3.46Å; W766-K768 VanDerWaalsContact C-N 3.32Å; W766-K768 PolarHBondContact O-N 3.43Å; K768-G770 PolarHBondContact O-N 3.25Å; K768-H771 PolarHBondContact O-N 2.72Å
769Q52.8Low56.6Low143 Ų14399.7 Ų99.767%0.66852%0.516SS*.Hα-helixtrans-67.6-23.5-179.8-115.7170.4-13.500113.1S765 W766S765-Q769 PolarHBondContact O-N 2.69Å; W766-Q769 PolarHBondContact O-N 3.31Å
770G47.4Very low55.4Low38 Ų38101 Ų10139%0.39252%0.516SS..THydrogen-bonded Turntrans-82.3-1.7176.500000115.8K768K768-G770 PolarHBondContact O-N 3.25Å
771H42.7Very low54.4Low137 Ų137101.1 Ų101.163%0.63452%0.519SS*.THydrogen-bonded Turntrans-98.12.4177.7-86.615000114.1K768K768-H771 PolarHBondContact O-N 2.72Å
772H35.9Very low53.6Low177 Ų177102.7 Ų102.782%0.81953%0.533SS*.  trans-120.727.5-176.1-89.2-63.5000114.8
773I32.8Very low52.3Low223 Ų223109.8 Ų109.8100%1.14457%0.57SS**  trans-123.40166.2-58.1178.5000109

Retrieved 773 of 773 residues in 198.1 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).