A0A060XS56_ONCMY Loading...

Ring finger protein 103

AlphaFold DB , UniProt , Accession A0A060XS56, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rnf103, Length 670 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.9Confident87.2Confident155 Ų15582.5 Ų82.576%0.76438%0.384SS*.  0-51.30-69.8179.881.600112.8L3 K4 L5M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.35Å; M1-K4 WeakPolarHBondContact O-CB 3.23Å; M1-K4 PolarHBondContact O-N 3.21Å; M1-L5 PolarHBondContact O-N 2.72Å
2W82.1Confident87.6Confident218 Ų21880.2 Ų80.283%0.82637%0.372SS*.Hα-helixtrans-53.3-40.3-178.6-67.1105.1000115.5K4 L5 F6W2-K4 PolarHBondContact O-N 3.35Å; W2-L5 HydrophobicContact CE3-CD2 4.15Å; W2-L5 HydrophobicContact CZ3-CD2 4.17Å; W2-L5 PolarHBondContact O-N 3.22Å; W2-F6 WeakPolarHBondContact O-CB 3.44Å; W2-F6 PolarHBondContact O-N 2.98Å
3L83.9Confident87.9Confident97 Ų9783.8 Ų83.851%0.50839%0.391SS..Hα-helixtrans-62.7-41.2175.5-167.7104.3000112.6M1 F6 F7M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.35Å; L3-F6 WeakPolarHBondContact O-CB 3.22Å; L3-F6 PolarHBondContact O-N 3.31Å; L3-F7 HydrophobicContact CD2-CD2 4.15Å; L3-F7 HydrophobicContact CD2-CE2 3.45Å; L3-F7 VanDerWaalsContact CD2-CE2 3.45Å; L3-F7 HydrophobicContact CD2-CZ 4.21Å; L3-F7 HydrophobicContact CG-CD2 4.23Å; L3-F7 HydrophobicContact CG-CE2 3.74Å; L3-F7 HydrophobicContact CG-CZ 4.28Å; L3-F7 WeakPolarHBondContact O-CD2 3.12Å; L3-F7 PolarHBondContact O-N 3.13Å
4K86.1Confident88.1Confident29 Ų2982.2 Ų82.213%0.12639%0.39CS..Hα-helixtrans-65.9-42.5176.8-58.8-176.3-176.1179.40111M1 W2 F6 F7 L8 M340 D344 I347 Y366M1-K4 WeakPolarHBondContact O-CB 3.23Å; M1-K4 PolarHBondContact O-N 3.21Å; W2-K4 PolarHBondContact O-N 3.35Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.36Å; K4-F7 PolarHBondContact O-N 2.76Å; K4-L8 WeakPolarHBondContact O-CB 3.25Å; K4-L8 PolarHBondContact O-N 2.87Å; K4-M340 HydrophobicContact CB-CG 3.93Å; K4-M340 HydrophobicContact CB-SD 4.31Å; K4-M340 HydrophobicContact CD-CG 4.23Å; K4-D344 WeakPolarHBondContact CE-OD1 3.44Å; K4-D344 IonicContact NZ-OD1 2.62Å; K4-D344 PolarHBondContact NZ-OD1 2.91Å; K4-D344 IonicContact NZ-OD2 2.71Å; K4-D344 PolarHBondContact NZ-OD2 3.33Å; K4-I347 HydrophobicContact CG-CD1 4.06Å; K4-Y366 PolarHBondContact NZ-OH 3.02Å
5L87.5Confident88.3Confident63 Ų6377.2 Ų77.233%0.3337%0.367SS..Hα-helixtrans-60.6-42.6174.6-17767000111M1 W2 L8 L9 M340M1-L5 PolarHBondContact O-N 2.72Å; W2-L5 HydrophobicContact CE3-CD2 4.15Å; W2-L5 HydrophobicContact CZ3-CD2 4.17Å; W2-L5 PolarHBondContact O-N 3.22Å; L5-L8 PolarHBondContact O-N 3.24Å; L5-L9 HydrophobicContact CG-CD1 4.17Å; L5-L9 HydrophobicContact CG-CG 4.5Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.49Å; L5-M340 HydrophobicContact CB-CE 4.24Å; L5-M340 HydrophobicContact CD1-CE 3.96Å
6F90.4Very high88.5Confident122 Ų12276 Ų7654%0.53536%0.36SS..Hα-helixtrans-60.3-47175.4175.5-97.7000112.2W2 L3 K4 L8 L9 L10W2-F6 WeakPolarHBondContact O-CB 3.44Å; W2-F6 PolarHBondContact O-N 2.98Å; L3-F6 WeakPolarHBondContact O-CB 3.22Å; L3-F6 PolarHBondContact O-N 3.31Å; K4-F6 VanDerWaalsContact C-N 3.31Å; K4-F6 PolarHBondContact O-N 3.36Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 2.9Å; F6-L9 PolarHBondContact O-N 3.04Å; F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 2.62Å
7F90.4Very high88.6Confident40 Ų4077.1 Ų77.118%0.17537%0.372CS..Hα-helixtrans-64.5-33.5176.9-71.1-43.8000113.5L3 K4 Y11 H430 I434L3-F7 HydrophobicContact CD2-CD2 4.15Å; L3-F7 HydrophobicContact CD2-CE2 3.45Å; L3-F7 VanDerWaalsContact CD2-CE2 3.45Å; L3-F7 HydrophobicContact CD2-CZ 4.21Å; L3-F7 HydrophobicContact CG-CD2 4.23Å; L3-F7 HydrophobicContact CG-CE2 3.74Å; L3-F7 HydrophobicContact CG-CZ 4.28Å; L3-F7 WeakPolarHBondContact O-CD2 3.12Å; L3-F7 PolarHBondContact O-N 3.13Å; K4-F7 PolarHBondContact O-N 2.76Å; F7-Y11 PolarHBondContact O-N 3.44Å; F7-H430 PolarHBondContact O-NE2 3.1Å; F7-I434 HydrophobicContact CB-CD1 3.88Å; F7-I434 HydrophobicContact CD1-CD1 4.2Å; F7-I434 HydrophobicContact CD1-CG1 4.37Å; F7-I434 HydrophobicContact CD2-CD1 4.32Å; F7-I434 HydrophobicContact CD2-CG2 4.47Å; F7-I434 HydrophobicContact CE2-CG2 4.21Å; F7-I434 HydrophobicContact CG-CD1 3.92Å; F7-I434 HydrophobicContact CG-CG1 4.49Å; F7-I434 HydrophobicContact CZ-CG2 4.46Å
8L90.4Very high88.7Confident6 Ų675.9 Ų75.93%0.03137%0.368CS..Hα-helixtrans-70-42174.4-173.368.9000111.6K4 L5 F6 Y11 F12 M336 L339 M340 L343K4-L8 WeakPolarHBondContact O-CB 3.25Å; K4-L8 PolarHBondContact O-N 2.87Å; L5-L8 PolarHBondContact O-N 3.24Å; F6-L8 VanDerWaalsContact C-N 3.3Å; F6-L8 PolarHBondContact O-N 2.9Å; L8-Y11 WeakPolarHBondContact O-CB 3.48Å; L8-Y11 PolarHBondContact O-N 3.27Å; L8-F12 HydrophobicContact CD1-CE2 3.99Å; L8-F12 HydrophobicContact CD1-CZ 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.15Å; L8-F12 HydrophobicContact CG-CD2 4.23Å; L8-F12 HydrophobicContact CG-CE2 3.68Å; L8-F12 HydrophobicContact CG-CZ 4.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å; L8-F12 PolarHBondContact O-N 3.42Å; L8-F12 VanDerWaalsContact O-N 3.08Å; L8-M336 HydrophobicContact CD2-SD 4.31Å; L8-L339 HydrophobicContact CD1-CB 4Å; L8-M340 HydrophobicContact CD2-CE 4.44Å; L8-L343 HydrophobicContact CB-CD1 4.24Å
9L91.2Very high88.6Confident98 Ų9872.1 Ų72.151%0.51335%0.35SS..Hα-helixtrans-64.7-40.8174.5-71.9172.3000111.6L5 F6 Y11 F12 M13L5-L9 HydrophobicContact CG-CD1 4.17Å; L5-L9 HydrophobicContact CG-CG 4.5Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.49Å; F6-L9 PolarHBondContact O-N 3.04Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.17Å; L9-F12 PolarHBondContact O-N 2.96Å; L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 3.22Å
10L92.4Very high88.6Confident78 Ų7871 Ų7141%0.40834%0.342SS..Hα-helixtrans-59.6-41.4173-178.565000111.1F6 M13 V14F6-L10 WeakPolarHBondContact O-CB 3.31Å; F6-L10 PolarHBondContact O-N 2.62Å; L10-M13 PolarHBondContact O-N 3.45Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.44Å
11Y92.9Very high88.6Confident2 Ų273.4 Ų73.41%0.00835%0.351CS..Hα-helixtrans-58.8-48175.1176.2-116.5000112.1F7 L8 L9 M13 V14 L15 F423 T426 Y427 H430F7-Y11 PolarHBondContact O-N 3.44Å; L8-Y11 WeakPolarHBondContact O-CB 3.48Å; L8-Y11 PolarHBondContact O-N 3.27Å; L9-Y11 VanDerWaalsContact C-N 3.29Å; L9-Y11 PolarHBondContact O-N 3.17Å; Y11-M13 VanDerWaalsContact C-N 3.3Å; Y11-M13 PolarHBondContact O-N 3.19Å; Y11-V14 PolarHBondContact O-N 2.75Å; Y11-V14 VanDerWaalsContact O-N 3.15Å; Y11-L15 HydrophobicContact CD1-CD1 4.06Å; Y11-L15 HydrophobicContact CD1-CG 4.47Å; Y11-L15 HydrophobicContact CD2-CG 4.37Å; Y11-L15 HydrophobicContact CE1-CD1 3.4Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.4Å; Y11-L15 HydrophobicContact CE1-CG 4.01Å; Y11-L15 HydrophobicContact CE2-CD1 4.18Å; Y11-L15 HydrophobicContact CE2-CD2 3.98Å; Y11-L15 HydrophobicContact CE2-CG 3.87Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.47Å; Y11-L15 PolarHBondContact O-N 2.87Å; Y11-F423 AromaticContact CE1-CE2 3.92Å; Y11-F423 HydrophobicContact CE1-CE2 3.92Å; Y11-F423 HydrophobicContact CE1-CZ 4.11Å; Y11-F423 PolarHBondContact OH-O 3.13Å; Y11-F423 VanDerWaalsContact OH-O 3.05Å; Y11-T426 PolarHBondContact OH-OG1 3.04Å; Y11-Y427 HydrophobicContact CD1-CD2 4.04Å; Y11-Y427 AromaticContact CE1-CD2 3.73Å; Y11-Y427 HydrophobicContact CE1-CD2 3.73Å; Y11-Y427 HydrophobicContact CE2-CD2 4.34Å; Y11-Y427 HydrophobicContact CG-CD2 4.46Å; Y11-Y427 AromaticContact CZ-CD2 3.9Å; Y11-Y427 WeakPolarHBondContact OH-CB 3.46Å; Y11-Y427 PolarHBondContact OH-N 3Å; Y11-H430 HydrophobicContact CD2-CB 3.75Å; Y11-H430 AromaticContact CD2-CD2 3.84Å; Y11-H430 AromaticContact CD2-CG 3.72Å; Y11-H430 HydrophobicContact CE2-CB 4.16Å
12F91.8Very high89.2Confident54 Ų5470.2 Ų70.224%0.23733%0.333CS..Hα-helixtrans-62.9-36.5177.5-70.5-57.7000112.7L8 L9 L15 F16 M336 L339L8-F12 HydrophobicContact CD1-CE2 3.99Å; L8-F12 HydrophobicContact CD1-CZ 4.33Å; L8-F12 HydrophobicContact CD2-CE2 4.15Å; L8-F12 HydrophobicContact CG-CD2 4.23Å; L8-F12 HydrophobicContact CG-CE2 3.68Å; L8-F12 HydrophobicContact CG-CZ 4.47Å; L8-F12 WeakPolarHBondContact O-CD2 3.45Å; L8-F12 PolarHBondContact O-N 3.42Å; L8-F12 VanDerWaalsContact O-N 3.08Å; L9-F12 PolarHBondContact O-N 2.96Å; F12-L15 HydrophobicContact CD1-CD1 4.23Å; F12-L15 PolarHBondContact O-N 3.47Å; F12-F16 WeakPolarHBondContact O-CB 3.29Å; F12-F16 PolarHBondContact O-N 2.92Å; F12-M336 HydrophobicContact CE1-CE 4.43Å; F12-M336 HydrophobicContact CE2-CE 3.71Å; F12-M336 HydrophobicContact CE2-SD 3.63Å; F12-M336 HydrophobicContact CZ-CE 3.55Å; F12-M336 HydrophobicContact CZ-SD 3.57Å; F12-M336 VanDerWaalsContact CZ-SD 3.57Å; F12-L339 HydrophobicContact CZ-CD1 4.2Å
13M91Very high89.2Confident127 Ų12763.7 Ų63.763%0.62631%0.312SS*.Hα-helixtrans-64.5-41.2173.2-71.5-68.2162.100112L9 L10 Y11 F16 V17L9-M13 WeakPolarHBondContact O-CG 3.48Å; L9-M13 PolarHBondContact O-N 3.22Å; L10-M13 PolarHBondContact O-N 3.45Å; Y11-M13 VanDerWaalsContact C-N 3.3Å; Y11-M13 PolarHBondContact O-N 3.19Å; M13-F16 PolarHBondContact O-N 3.07Å; M13-V17 WeakPolarHBondContact O-CG2 3.4Å; M13-V17 PolarHBondContact O-N 3.38Å
14V91.1Very high89.2Confident62 Ų6261.5 Ų61.538%0.37631%0.307SS..Hα-helixtrans-63.4-44174.4170.80000110.8L10 Y11 F16 V17 L18L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.44Å; Y11-V14 PolarHBondContact O-N 2.75Å; Y11-V14 VanDerWaalsContact O-N 3.15Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 3.32Å; V14-V17 PolarHBondContact O-N 3.01Å; V14-L18 HydrophobicContact CG1-CD1 3.81Å; V14-L18 HydrophobicContact CG1-CG 4.2Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.49Å
15L91.2Very high89.2Confident7 Ų762.5 Ų62.54%0.03732%0.316CS..Hα-helixtrans-60.1-41.4175.8-75.5-176.7000112.6Y11 F12 L18 A19 Y416 F423 T426Y11-L15 HydrophobicContact CD1-CD1 4.06Å; Y11-L15 HydrophobicContact CD1-CG 4.47Å; Y11-L15 HydrophobicContact CD2-CG 4.37Å; Y11-L15 HydrophobicContact CE1-CD1 3.4Å; Y11-L15 VanDerWaalsContact CE1-CD1 3.4Å; Y11-L15 HydrophobicContact CE1-CG 4.01Å; Y11-L15 HydrophobicContact CE2-CD1 4.18Å; Y11-L15 HydrophobicContact CE2-CD2 3.98Å; Y11-L15 HydrophobicContact CE2-CG 3.87Å; Y11-L15 VanDerWaalsContact CZ-CD1 3.47Å; Y11-L15 PolarHBondContact O-N 2.87Å; F12-L15 HydrophobicContact CD1-CD1 4.23Å; F12-L15 PolarHBondContact O-N 3.47Å; L15-L18 PolarHBondContact O-N 3.35Å; L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 2.98Å; L15-Y416 HydrophobicContact CB-CE2 4Å; L15-Y416 HydrophobicContact CD2-CE1 3.88Å; L15-Y416 HydrophobicContact CD2-CE2 4.26Å; L15-Y416 PolarHBondContact O-OH 3.01Å; L15-F423 HydrophobicContact CD1-CD2 3.99Å; L15-F423 HydrophobicContact CD1-CE2 3.69Å; L15-T426 HydrophobicContact CD2-CG2 4.48Å
16F91.5Very high88.8Confident58 Ų5863.2 Ų63.225%0.25432%0.323SS..Hα-helixtrans-60.8-48.3175.9178-99000110.9F12 M13 V14 L18 A19 R20 W408 D412F12-F16 WeakPolarHBondContact O-CB 3.29Å; F12-F16 PolarHBondContact O-N 2.92Å; M13-F16 PolarHBondContact O-N 3.07Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 3.32Å; F16-L18 PolarHBondContact O-N 3.02Å; F16-A19 PolarHBondContact O-N 3.4Å; F16-R20 HydrophobicContact CE1-CG 4.46Å; F16-R20 HydrophobicContact CZ-CG 4.44Å; F16-R20 WeakPolarHBondContact O-CG 3.4Å; F16-R20 PolarHBondContact O-N 3.44Å; F16-W408 HydrophobicContact CE2-CB 4.15Å; F16-W408 HydrophobicContact CE2-CE3 4.2Å; F16-W408 AromaticContact CZ-CE3 3.81Å; F16-W408 HydrophobicContact CZ-CE3 3.81Å; F16-W408 HydrophobicContact CZ-CZ3 4.33Å; F16-D412 VanDerWaalsContact CD2-OD2 3.23Å; F16-D412 WeakPolarHBondContact CD2-OD2 3.4Å
17V90.8Very high88.3Confident95 Ų9563.1 Ų63.158%0.57632%0.319SS*.Hα-helixtrans-62.8-42.3177174.30000111.8M13 V14 A19 R20 F21M13-V17 WeakPolarHBondContact O-CG2 3.4Å; M13-V17 PolarHBondContact O-N 3.38Å; V14-V17 PolarHBondContact O-N 3.01Å; V17-A19 PolarHBondContact O-N 3.48Å; V17-R20 PolarHBondContact O-N 2.89Å; V17-F21 PolarHBondContact O-N 3.35Å
18L90.1Very high88Confident55 Ų5570.6 Ų70.629%0.28835%0.347SS..Hα-helixtrans-63.2-40.2177.7-75.7173.6000112.2V14 L15 F16 R20 F21 F22 T426V14-L18 HydrophobicContact CG1-CD1 3.81Å; V14-L18 HydrophobicContact CG1-CG 4.2Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 VanDerWaalsContact O-CG 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.29Å; V14-L18 PolarHBondContact O-N 3.49Å; L15-L18 PolarHBondContact O-N 3.35Å; F16-L18 PolarHBondContact O-N 3.02Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.99Å; L18-F21 WeakPolarHBondContact O-CB 3.4Å; L18-F21 PolarHBondContact O-N 3.28Å; L18-F22 HydrophobicContact CB-CE2 4.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.41Å; L18-F22 WeakPolarHBondContact O-CG 3.17Å; L18-F22 PolarHBondContact O-N 3.34Å; L18-T426 HydrophobicContact CD1-CG2 4.37Å
19A86.8Confident87.6Confident4 Ų477.6 Ų77.63%0.03338%0.38CS..Hα-helixtrans-62-44.4177.200000111.2L15 F16 V17 F21 F22 E23 D412 Y416L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 2.98Å; F16-A19 PolarHBondContact O-N 3.4Å; V17-A19 PolarHBondContact O-N 3.48Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.34Å; A19-F22 PolarHBondContact O-N 3.27Å; A19-E23 PolarHBondContact O-N 3.45Å; A19-D412 HydrophobicContact CB-CB 4.34Å; A19-D412 VanDerWaalsContact CB-OD1 3.25Å; A19-D412 WeakPolarHBondContact CB-OD1 3.48Å; A19-Y416 HydrophobicContact CB-CE2 4.08Å; A19-Y416 PolarHBondContact N-OH 2.91Å
20R88.2Confident86.8Confident49 Ų4976.7 Ų76.719%0.18538%0.379CS..Hα-helixtrans-64-37174.7-61.9-57.599.4155.9-6.6112.5F16 V17 L18 E23 A24 D412F16-R20 HydrophobicContact CE1-CG 4.46Å; F16-R20 HydrophobicContact CZ-CG 4.44Å; F16-R20 WeakPolarHBondContact O-CG 3.4Å; F16-R20 PolarHBondContact O-N 3.44Å; V17-R20 PolarHBondContact O-N 2.89Å; L18-R20 VanDerWaalsContact C-N 3.35Å; L18-R20 PolarHBondContact O-N 2.99Å; R20-E23 IonicContact CZ-OE1 3.87Å; R20-E23 IonicContact CZ-OE2 3.59Å; R20-E23 IonicContact NE-OE1 2.55Å; R20-E23 IonicContact NE-OE2 3.58Å; R20-E23 PolarHBondContact NE-OE2 3.16Å; R20-E23 IonicContact NH1-OE1 3.93Å; R20-E23 IonicContact NH1-OE2 2.7Å; R20-E23 IonicContact NH2-OE1 2.87Å; R20-E23 PolarHBondContact NH2-OE1 2.9Å; R20-E23 IonicContact NH2-OE2 3.8Å; R20-E23 PolarHBondContact NH2-OE2 3.42Å; R20-E23 PolarHBondContact O-N 3.07Å; R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 2.81Å; R20-D412 IonicContact CZ-OD1 3.75Å; R20-D412 IonicContact NE-OD1 2.91Å; R20-D412 IonicContact NH2-OD1 3.97Å; R20-D412 PolarHBondContact NH2-OD1 3.06Å; R20-D412 IonicContact NH2-OD2 2.84Å
21F88.4Confident85.9Confident123 Ų12375.3 Ų75.354%0.53938%0.383SS..Hα-helixtrans-63.2-45.4174.2179.7-98.6000111.4V17 L18 A19 E23 A24 V25V17-F21 PolarHBondContact O-N 3.35Å; L18-F21 WeakPolarHBondContact O-CB 3.4Å; L18-F21 PolarHBondContact O-N 3.28Å; A19-F21 VanDerWaalsContact C-N 3.32Å; A19-F21 PolarHBondContact O-N 3.34Å; F21-E23 PolarHBondContact O-N 3.04Å; F21-A24 WeakPolarHBondContact O-CB 2.93Å; F21-A24 PolarHBondContact O-N 3.01Å; F21-V25 HydrophobicContact CD1-CG2 4.1Å; F21-V25 HydrophobicContact CE1-CG2 3.67Å; F21-V25 HydrophobicContact CE2-CG2 4.27Å; F21-V25 HydrophobicContact CZ-CG2 3.76Å; F21-V25 WeakPolarHBondContact O-CG2 3.32Å; F21-V25 PolarHBondContact O-N 3.46Å
22F84.8Confident84.7Confident87 Ų8778.5 Ų78.538%0.38240%0.4SS..Hα-helixtrans-62.6-42175.8-69.5-49.8000112.4L18 A19 A24 V25 V26L18-F22 HydrophobicContact CB-CE2 4.39Å; L18-F22 WeakPolarHBondContact O-CD2 3.41Å; L18-F22 WeakPolarHBondContact O-CG 3.17Å; L18-F22 PolarHBondContact O-N 3.34Å; A19-F22 PolarHBondContact O-N 3.27Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 3.03Å; F22-V25 PolarHBondContact O-N 2.81Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.39Å
23E81.8Confident83.4Confident82 Ų8281.1 Ų81.138%0.38341%0.411SS..Hα-helixtrans-58.3-43.1172.8-75.4179.7179.600111.7A19 R20 F21 V26 W27A19-E23 PolarHBondContact O-N 3.45Å; R20-E23 IonicContact CZ-OE1 3.87Å; R20-E23 IonicContact CZ-OE2 3.59Å; R20-E23 IonicContact NE-OE1 2.55Å; R20-E23 IonicContact NE-OE2 3.58Å; R20-E23 PolarHBondContact NE-OE2 3.16Å; R20-E23 IonicContact NH1-OE1 3.93Å; R20-E23 IonicContact NH1-OE2 2.7Å; R20-E23 IonicContact NH2-OE1 2.87Å; R20-E23 PolarHBondContact NH2-OE1 2.9Å; R20-E23 IonicContact NH2-OE2 3.8Å; R20-E23 PolarHBondContact NH2-OE2 3.42Å; R20-E23 PolarHBondContact O-N 3.07Å; F21-E23 PolarHBondContact O-N 3.04Å; E23-V26 PolarHBondContact O-N 3.27Å; E23-W27 VanDerWaalsContact O-CB 3.3Å; E23-W27 WeakPolarHBondContact O-CB 3.2Å; E23-W27 PolarHBondContact O-N 2.67Å
24A85Confident82.1Confident50 Ų5077.8 Ų77.841%0.41340%0.404SS..Hα-helixtrans-65.8-37.9177.600000112.8R20 F21 F22 W27 Y28R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 2.81Å; F21-A24 WeakPolarHBondContact O-CB 2.93Å; F21-A24 PolarHBondContact O-N 3.01Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 3.03Å; A24-W27 PolarHBondContact O-N 2.92Å; A24-Y28 WeakPolarHBondContact O-CB 3.49Å; A24-Y28 PolarHBondContact O-N 3.09Å
25V85.2Confident81Confident50 Ų5077.3 Ų77.330%0.30340%0.401SS..Hα-helixtrans-66.9-47.3175.5171.70000110.9F21 F22 W27 Y28 E29F21-V25 HydrophobicContact CD1-CG2 4.1Å; F21-V25 HydrophobicContact CE1-CG2 3.67Å; F21-V25 HydrophobicContact CE2-CG2 4.27Å; F21-V25 HydrophobicContact CZ-CG2 3.76Å; F21-V25 WeakPolarHBondContact O-CG2 3.32Å; F21-V25 PolarHBondContact O-N 3.46Å; F22-V25 PolarHBondContact O-N 2.81Å; V25-W27 PolarHBondContact O-N 3.35Å; V25-Y28 WeakPolarHBondContact O-CB 3.32Å; V25-Y28 PolarHBondContact O-N 3.13Å; V25-Y28 VanDerWaalsContact O-N 3.07Å; V25-E29 PolarHBondContact O-N 3.49Å
26V79.4Confident80.2Confident79 Ų7981 Ų8148%0.47942%0.418SS..Hα-helixtrans-59.8-41176.6171.30000110.4F22 E23 E29 T30F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.39Å; E23-V26 PolarHBondContact O-N 3.27Å; V26-E29 PolarHBondContact O-N 2.98Å; V26-T30 HydrophobicContact CG1-CG2 4.43Å; V26-T30 WeakPolarHBondContact O-CB 3.29Å; V26-T30 PolarHBondContact O-N 3.18Å; V26-T30 PolarHBondContact O-OG1 2.98Å
27W80Confident79.5Confident119 Ų11983.6 Ų83.645%0.45143%0.434SS..Hα-helixtrans-62.5-42.7174.2173.971.2000112.2E23 A24 V25 E29 G31 F33E23-W27 VanDerWaalsContact O-CB 3.3Å; E23-W27 WeakPolarHBondContact O-CB 3.2Å; E23-W27 PolarHBondContact O-N 2.67Å; A24-W27 PolarHBondContact O-N 2.92Å; V25-W27 PolarHBondContact O-N 3.35Å; W27-E29 PolarHBondContact O-N 3.39Å; W27-G31 WeakPolarHBondContact O-CA 3.39Å; W27-G31 PolarHBondContact O-N 3.06Å; W27-F33 HydrophobicContact CB-CE1 4.25Å; W27-F33 AromaticContact CD1-CD2 3.76Å; W27-F33 AromaticContact CD1-CE1 3.69Å; W27-F33 AromaticContact CD1-CE2 3.38Å; W27-F33 AromaticContact CD1-CZ 3.34Å; W27-F33 HydrophobicContact CD2-CE1 4.5Å; W27-F33 HydrophobicContact CD2-CZ 4.02Å; W27-F33 AromaticContact CE2-CE2 3.99Å; W27-F33 AromaticContact CE2-CZ 3.79Å; W27-F33 HydrophobicContact CG-CD1 4.46Å; W27-F33 AromaticContact CG-CE1 3.87Å; W27-F33 HydrophobicContact CG-CE1 3.87Å; W27-F33 HydrophobicContact CG-CE2 4.23Å; W27-F33 AromaticContact CG-CZ 3.74Å; W27-F33 HydrophobicContact CG-CZ 3.74Å; W27-F33 AromaticContact NE1-CD2 3.9Å; W27-F33 AromaticContact NE1-CE2 3.2Å; W27-F33 AromaticContact NE1-CZ 3.37Å
28Y84.2Confident78.9Confident197 Ų19780.1 Ų80.177%0.77341%0.413SS*.Hα-helixtrans-62.1-41.2177.7-178.2-99.1000112.5A24 V25A24-Y28 WeakPolarHBondContact O-CB 3.49Å; A24-Y28 PolarHBondContact O-N 3.09Å; V25-Y28 WeakPolarHBondContact O-CB 3.32Å; V25-Y28 PolarHBondContact O-N 3.13Å; V25-Y28 VanDerWaalsContact O-N 3.07Å
29E81.5Confident78.3Confident154 Ų15481.5 Ų81.572%0.7242%0.421SS*.Hα-helixtrans-78-41-178.5-69.3-173.1169.100113.5V25 V26 W27V25-E29 PolarHBondContact O-N 3.49Å; V26-E29 PolarHBondContact O-N 2.98Å; W27-E29 PolarHBondContact O-N 3.39Å
30T75.8Confident78Confident79 Ų7982 Ų8249%0.48542%0.424SS..Hα-helixtrans-100.6-19.2-171.865.80000113.7V26 L32V26-T30 HydrophobicContact CG1-CG2 4.43Å; V26-T30 WeakPolarHBondContact O-CB 3.29Å; V26-T30 PolarHBondContact O-N 3.18Å; V26-T30 PolarHBondContact O-OG1 2.98Å; T30-L32 PolarHBondContact O-N 3.5Å; T30-L32 PolarHBondContact OG1-N 3.37Å
31G71.8Confident77.7Confident48 Ų4882.6 Ų82.650%0.49543%0.433SS..  trans687.1-172.700000114.5W27W27-G31 WeakPolarHBondContact O-CA 3.39Å; W27-G31 PolarHBondContact O-N 3.06Å
32L69.4Low77.4Confident70 Ų7081.7 Ų81.737%0.36644%0.438SS..  trans-117.6133.9-172.5-63172.1000111.4T30T30-L32 PolarHBondContact O-N 3.5Å; T30-L32 PolarHBondContact OG1-N 3.37Å
33F64.6Low77.4Confident109 Ų10978.1 Ų78.148%0.47842%0.422SS..  trans-88.4147.2168.7-72.5-75.9000110.7W27 T35 Q36W27-F33 HydrophobicContact CB-CE1 4.25Å; W27-F33 AromaticContact CD1-CD2 3.76Å; W27-F33 AromaticContact CD1-CE1 3.69Å; W27-F33 AromaticContact CD1-CE2 3.38Å; W27-F33 AromaticContact CD1-CZ 3.34Å; W27-F33 HydrophobicContact CD2-CE1 4.5Å; W27-F33 HydrophobicContact CD2-CZ 4.02Å; W27-F33 AromaticContact CE2-CE2 3.99Å; W27-F33 AromaticContact CE2-CZ 3.79Å; W27-F33 HydrophobicContact CG-CD1 4.46Å; W27-F33 AromaticContact CG-CE1 3.87Å; W27-F33 HydrophobicContact CG-CE1 3.87Å; W27-F33 HydrophobicContact CG-CE2 4.23Å; W27-F33 AromaticContact CG-CZ 3.74Å; W27-F33 HydrophobicContact CG-CZ 3.74Å; W27-F33 AromaticContact NE1-CD2 3.9Å; W27-F33 AromaticContact NE1-CE2 3.2Å; W27-F33 AromaticContact NE1-CZ 3.37Å; F33-T35 PolarHBondContact O-N 3.36Å; F33-Q36 HydrophobicContact CB-CB 4.37Å; F33-Q36 WeakPolarHBondContact O-CB 3.47Å; F33-Q36 PolarHBondContact O-N 2.88Å
34A63.4Low77.7Confident57 Ų5777 Ų7747%0.47142%0.423SS..THydrogen-bonded Turntrans-60.3-25172.500000112.8Q80 G81 F309A34-Q80 PolarHBondContact O-N 3.47Å; A34-G81 PolarHBondContact O-N 2.86Å; A34-F309 HydrophobicContact CB-CZ 4.48Å
35T66.2Low77.8Confident51 Ų5177.8 Ų77.831%0.31342%0.418SS..THydrogen-bonded Turntrans-88.9-1176.151.60000113.7F33 L37 I306F33-T35 PolarHBondContact O-N 3.36Å; T35-L37 PolarHBondContact O-N 3.22Å; T35-I306 HydrophobicContact CG2-CB 4.07Å; T35-I306 HydrophobicContact CG2-CG1 4.03Å; T35-I306 HydrophobicContact CG2-CG2 3.7Å
36Q75.4Confident77.8Confident85 Ų8580.9 Ų80.940%0.39743%0.432SS..PPolyproline II helixtrans-67130.1178.2-172.9170.3-7.900110F33 V38 Q80F33-Q36 HydrophobicContact CB-CB 4.37Å; F33-Q36 WeakPolarHBondContact O-CB 3.47Å; F33-Q36 PolarHBondContact O-N 2.88Å; Q36-V38 PolarHBondContact O-N 3.36Å; Q36-Q80 PolarHBondContact O-N 2.78Å
37L76.6Confident78.1Confident112 Ų11281.4 Ų81.459%0.58643%0.428SS*.BIsolated β-bridgetrans-66.4129.7173.9-68.5171.7000109.6T35 D77T35-L37 PolarHBondContact O-N 3.22Å; L37-D77 HydrophobicContact CD2-CB 3.83Å
38V78.2Confident78.5Confident22 Ų2275.8 Ų75.813%0.13341%0.407CS..PPolyproline II helixtrans-102.4123.7178.5-177.20000108.4Q36 P40 L43 L78 Q80 L83Q36-V38 PolarHBondContact O-N 3.36Å; V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.24Å; V38-L43 HydrophobicContact CG1-CD1 4.01Å; V38-L43 HydrophobicContact CG1-CD2 4.22Å; V38-L43 HydrophobicContact CG1-CG 4.21Å; V38-L78 HydrophobicContact CB-CD2 4.09Å; V38-L78 HydrophobicContact CB-CG 4.19Å; V38-L78 HydrophobicContact CG1-CD2 4.21Å; V38-L78 PolarHBondContact N-O 2.65Å; V38-Q80 HydrophobicContact CG2-CB 3.79Å; V38-Q80 HydrophobicContact CG2-CG 4.49Å; V38-L83 HydrophobicContact CG1-CD2 4.43Å
39D78.5Confident78.6Confident84 Ų8469.6 Ų69.645%0.44938%0.384SS..PPolyproline II helixtrans-71.7117.7175-175.6-4000110.4V41 T42D39-V41 PolarHBondContact O-N 2.76Å; D39-V41 VanDerWaalsContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.04Å; D39-V41 PolarHBondContact OD1-N 3.23Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.3Å; D39-T42 HydrophobicContact CB-CG2 4.3Å; D39-T42 PolarHBondContact O-N 3.05Å; D39-T42 PolarHBondContact O-OG1 3.33Å
40P79.6Confident78.8Confident15 Ų1563 Ų6310%0.09735%0.354CS..G310 helixtrans-64-15.8-179.328-37.1000113.9V38 T42 L43 L48 R69 E73V38-P40 VanDerWaalsContact O-CD 3.31Å; V38-P40 WeakPolarHBondContact O-CD 3.24Å; P40-T42 PolarHBondContact O-N 3.27Å; P40-L43 PolarHBondContact O-N 3.43Å; P40-L48 HydrophobicContact CB-CD2 4Å; P40-R69 HydrophobicContact CB-CG 4.23Å; P40-R69 HydrophobicContact CG-CG 4.38Å; P40-E73 HydrophobicContact CG-CG 3.91Å; P40-E73 WeakPolarHBondContact CG-OE1 3.39Å
41V80.9Confident79.3Confident62 Ų6259.2 Ų59.238%0.37633%0.331SS..G310 helixtrans-56.4-43.5174-174.60000110.8D39 L43 K65D39-V41 PolarHBondContact O-N 2.76Å; D39-V41 VanDerWaalsContact O-N 3.13Å; D39-V41 WeakPolarHBondContact OD1-CG2 3.04Å; D39-V41 PolarHBondContact OD1-N 3.23Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.3Å; V41-L43 VanDerWaalsContact C-N 3.25Å; V41-L43 PolarHBondContact O-N 2.97Å; V41-K65 PolarHBondContact O-NZ 3.26Å
42T84Confident80Confident104 Ų10456.9 Ų56.964%0.63831%0.307SS*.G310 helixtrans-74.3-17.3-169.567.50000112.8D39 P40D39-T42 HydrophobicContact CB-CG2 4.3Å; D39-T42 PolarHBondContact O-N 3.05Å; D39-T42 PolarHBondContact O-OG1 3.33Å; P40-T42 PolarHBondContact O-N 3.27Å
43L84.6Confident80.7Confident12 Ų1255.5 Ų55.56%0.06330%0.299CS..SBendtrans-83.7146.9-174.2-64.1176.6000112.6V38 P40 V41 K47 L48 I51 K65 L78 L83V38-L43 HydrophobicContact CG1-CD1 4.01Å; V38-L43 HydrophobicContact CG1-CD2 4.22Å; V38-L43 HydrophobicContact CG1-CG 4.21Å; P40-L43 PolarHBondContact O-N 3.43Å; V41-L43 VanDerWaalsContact C-N 3.25Å; V41-L43 PolarHBondContact O-N 2.97Å; L43-K47 HydrophobicContact CB-CB 4.48Å; L43-K47 HydrophobicContact CD2-CD 4.06Å; L43-L48 HydrophobicContact CB-CD2 4.09Å; L43-L48 HydrophobicContact CB-CG 4.12Å; L43-L48 HydrophobicContact CD1-CD2 4.12Å; L43-I51 HydrophobicContact CD1-CD1 4.1Å; L43-K65 WeakPolarHBondContact O-CE 3.47Å; L43-K65 PolarHBondContact O-NZ 3.36Å; L43-L78 HydrophobicContact CD1-CD2 3.31Å; L43-L83 HydrophobicContact CD1-CD2 4.45Å; L43-L83 HydrophobicContact CD2-CD2 3.86Å
44S87.2Confident81.4Confident57 Ų5751.5 Ų51.540%0.39928%0.284SS..  trans-67.5154.2171.262.20000111.1N46 K47 L48S44-N46 VanDerWaalsContact C-N 3.3Å; S44-N46 PolarHBondContact O-N 3.06Å; S44-K47 PolarHBondContact O-N 2.93Å; S44-K47 VanDerWaalsContact O-N 3.17Å; S44-K47 VanDerWaalsContact OG-CG 3.25Å; S44-K47 WeakPolarHBondContact OG-CG 3.35Å; S44-K47 PolarHBondContact OG-N 3.45Å; S44-L48 PolarHBondContact O-N 3.08Å
45F86.6Confident82.4Confident68 Ų6848.9 Ų48.930%0.29826%0.262SS..Hα-helixtrans-52.7-44.1176.6-177.9-99.3000113.4K47 L48 K49 K65 V68F45-K47 PolarHBondContact O-N 3.49Å; F45-L48 PolarHBondContact O-N 3.15Å; F45-K49 PolarHBondContact O-N 2.85Å; F45-K65 HydrophobicContact CD2-CB 3.92Å; F45-K65 HydrophobicContact CD2-CG 4.32Å; F45-V68 HydrophobicContact CE2-CB 4.14Å; F45-V68 HydrophobicContact CE2-CG1 4.46Å; F45-V68 HydrophobicContact CE2-CG2 3.61Å; F45-V68 HydrophobicContact CZ-CG2 4.12Å
46N85.3Confident83.1Confident115 Ų11546.6 Ų46.662%0.61525%0.249SC*.Hα-helixtrans-62.3-43.4-179.9-68.4-9.2000112.3S44 L48 K49 T50S44-N46 VanDerWaalsContact C-N 3.3Å; S44-N46 PolarHBondContact O-N 3.06Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.72Å; N46-K49 WeakPolarHBondContact O-CB 3.36Å; N46-K49 PolarHBondContact O-N 3.14Å; N46-K49 VanDerWaalsContact O-N 3.16Å; N46-T50 PolarHBondContact O-N 2.69Å; N46-T50 PolarHBondContact O-OG1 2.89Å; N46-T50 VanDerWaalsContact O-OG1 3.07Å
47K87.1Confident83.5Confident90 Ų9043.4 Ų43.439%0.39123%0.234SC..Hα-helixtrans-60.2-41.9175.4-71.3178.8-177.8-173.40112.4L43 S44 F45 K49 T50 I51 L83L43-K47 HydrophobicContact CB-CB 4.48Å; L43-K47 HydrophobicContact CD2-CD 4.06Å; S44-K47 PolarHBondContact O-N 2.93Å; S44-K47 VanDerWaalsContact O-N 3.17Å; S44-K47 VanDerWaalsContact OG-CG 3.25Å; S44-K47 WeakPolarHBondContact OG-CG 3.35Å; S44-K47 PolarHBondContact OG-N 3.45Å; F45-K47 PolarHBondContact O-N 3.49Å; K47-K49 VanDerWaalsContact C-N 3.32Å; K47-T50 PolarHBondContact O-N 3.15Å; K47-I51 WeakPolarHBondContact O-CD1 3.46Å; K47-I51 VanDerWaalsContact O-CG1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 3.07Å; K47-I51 VanDerWaalsContact O-N 3.09Å; K47-L83 HydrophobicContact CB-CD1 4.48Å
48L87.6Confident83.4Confident0 Ų040 Ų400%023%0.227CC..Hα-helixtrans-64.1-39.4176-66.4171000111.5P40 L43 S44 F45 N46 I51 L52 K65 V68 R69 V72P40-L48 HydrophobicContact CB-CD2 4Å; L43-L48 HydrophobicContact CB-CD2 4.09Å; L43-L48 HydrophobicContact CB-CG 4.12Å; L43-L48 HydrophobicContact CD1-CD2 4.12Å; S44-L48 PolarHBondContact O-N 3.08Å; F45-L48 PolarHBondContact O-N 3.15Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.72Å; L48-I51 PolarHBondContact O-N 3.34Å; L48-L52 PolarHBondContact O-N 3.27Å; L48-K65 HydrophobicContact CD1-CG 4.19Å; L48-V68 HydrophobicContact CB-CG1 3.82Å; L48-R69 HydrophobicContact CD1-CB 4.33Å; L48-V72 HydrophobicContact CD2-CG2 4.25Å
49K86.9Confident83.2Confident67 Ų6740 Ų4029%0.29123%0.225SC..Hα-helixtrans-61.7-48.3173.5170.2177.1149.1152.60111.5F45 N46 K47 I51 L52 E53 Y59F45-K49 PolarHBondContact O-N 2.85Å; N46-K49 WeakPolarHBondContact O-CB 3.36Å; N46-K49 PolarHBondContact O-N 3.14Å; N46-K49 VanDerWaalsContact O-N 3.16Å; K47-K49 VanDerWaalsContact C-N 3.32Å; K49-I51 PolarHBondContact O-N 3.34Å; K49-L52 PolarHBondContact O-N 3.28Å; K49-L52 VanDerWaalsContact O-N 3.17Å; K49-E53 WeakPolarHBondContact CE-OE1 3.48Å; K49-E53 HydrophobicContact CG-CG 4.43Å; K49-E53 IonicContact NZ-OE1 2.62Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 2.99Å; K49-Y59 HydrophobicContact CD-CE1 4.35Å; K49-Y59 HydrophobicContact CD-CE2 3.81Å; K49-Y59 WeakPolarHBondContact CD-OH 3.31Å; K49-Y59 WeakPolarHBondContact CE-OH 3.27Å; K49-Y59 HydrophobicContact CG-CD1 4.49Å; K49-Y59 HydrophobicContact CG-CE1 3.88Å; K49-Y59 HydrophobicContact CG-CE2 4.1Å; K49-Y59 PolarHBondContact NZ-OH 3.34Å
50T84.5Confident82.6Confident15 Ų1538.2 Ų38.29%0.09222%0.218CC..Hα-helixtrans-57.8-39.8178.2-490000111N46 K47 E53 C54 A86 E90N46-T50 PolarHBondContact O-N 2.69Å; N46-T50 PolarHBondContact O-OG1 2.89Å; N46-T50 VanDerWaalsContact O-OG1 3.07Å; K47-T50 PolarHBondContact O-N 3.15Å; T50-E53 WeakPolarHBondContact O-CB 3.38Å; T50-E53 PolarHBondContact O-N 2.7Å; T50-C54 PolarHBondContact O-N 3.35Å; T50-C54 PolarHBondContact O-SG 3.18Å; T50-C54 VanDerWaalsContact O-SG 3.36Å; T50-A86 HydrophobicContact CG2-CB 4.2Å; T50-E90 HydrophobicContact CG2-CB 4.47Å; T50-E90 WeakPolarHBondContact CG2-OE2 3.49Å; T50-E90 PolarHBondContact OG1-OE2 2.9Å
51I86.4Confident82.1Confident0 Ų041.3 Ų41.30%025%0.253CS..Hα-helixtrans-63.2-48.6175.9-66.6158.1000111.6L43 K47 L48 K49 E53 C54 R55 L78 L83L43-I51 HydrophobicContact CD1-CD1 4.1Å; K47-I51 WeakPolarHBondContact O-CD1 3.46Å; K47-I51 VanDerWaalsContact O-CG1 3.32Å; K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 3.07Å; K47-I51 VanDerWaalsContact O-N 3.09Å; L48-I51 PolarHBondContact O-N 3.34Å; K49-I51 PolarHBondContact O-N 3.34Å; I51-E53 PolarHBondContact O-N 3.44Å; I51-C54 PolarHBondContact O-N 3.47Å; I51-C54 VanDerWaalsContact O-N 3.14Å; I51-R55 WeakPolarHBondContact O-CG 3.37Å; I51-R55 PolarHBondContact O-N 2.91Å; I51-L78 HydrophobicContact CD1-CD1 3.63Å; I51-L78 HydrophobicContact CD1-CD2 3.55Å; I51-L78 HydrophobicContact CD1-CG 4.25Å; I51-L78 HydrophobicContact CG1-CD1 4.09Å; I51-L78 HydrophobicContact CG2-CD1 4.02Å; I51-L83 HydrophobicContact CD1-CD1 4.05Å; I51-L83 HydrophobicContact CG1-CD1 4.39Å
52L86Confident81.8Confident0 Ų040.9 Ų40.90%025%0.248CC..Hα-helixtrans-61.5-34.8177-71.9179.8000111.9L48 K49 R55 G56 L57 Y59 V68 L71 V72L48-L52 PolarHBondContact O-N 3.27Å; K49-L52 PolarHBondContact O-N 3.28Å; K49-L52 VanDerWaalsContact O-N 3.17Å; L52-R55 CarbonylContact O-C 3.38Å; L52-R55 PolarHBondContact O-N 2.9Å; L52-G56 PolarHBondContact O-N 3.43Å; L52-L57 HydrophobicContact CD2-CB 4.24Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 PolarHBondContact O-N 3.5Å; L52-Y59 HydrophobicContact CB-CD1 4.45Å; L52-V68 HydrophobicContact CD1-CG1 3.7Å; L52-L71 HydrophobicContact CD1-CB 4.49Å; L52-L71 HydrophobicContact CD1-CD2 4.04Å; L52-L71 HydrophobicContact CD1-CG 4.47Å; L52-L71 HydrophobicContact CD2-CB 4.44Å; L52-L71 HydrophobicContact CD2-CD2 4.25Å; L52-L71 HydrophobicContact CD2-CG 4.04Å; L52-V72 HydrophobicContact CD1-CG2 4.17Å; L52-V72 HydrophobicContact CD2-CB 4.41Å; L52-V72 HydrophobicContact CD2-CG2 3.53Å; L52-V72 HydrophobicContact CG-CG2 3.59Å
53E84.4Confident81.3Confident41 Ų4140.2 Ų40.219%0.19225%0.254CS..Hα-helixtrans-64.7-46.4172.6-72.9-177.4154.800111.1K49 T50 I51 R55 G56 Y59 K146 F150K49-E53 WeakPolarHBondContact CE-OE1 3.48Å; K49-E53 HydrophobicContact CG-CG 4.43Å; K49-E53 IonicContact NZ-OE1 2.62Å; K49-E53 WeakPolarHBondContact O-CG 3.46Å; K49-E53 PolarHBondContact O-N 2.99Å; T50-E53 WeakPolarHBondContact O-CB 3.38Å; T50-E53 PolarHBondContact O-N 2.7Å; I51-E53 PolarHBondContact O-N 3.44Å; E53-R55 VanDerWaalsContact C-N 3.31Å; E53-R55 PolarHBondContact O-N 3.47Å; E53-G56 WeakPolarHBondContact O-CA 3.39Å; E53-G56 PolarHBondContact O-N 3.39Å; E53-Y59 HydrophobicContact CG-CD1 4.44Å; E53-Y59 HydrophobicContact CG-CE1 3.57Å; E53-Y59 WeakPolarHBondContact OE1-CE1 3.46Å; E53-Y59 PolarHBondContact OE1-OH 3.07Å; E53-K146 IonicContact OE1-NZ 2.75Å; E53-K146 PolarHBondContact OE1-NZ 2.91Å; E53-F150 WeakPolarHBondContact O-CZ 3.48Å
54C80.2Confident81.3Confident25 Ų2545 Ų4517%0.16928%0.276CS..Hα-helixtrans-63.1-34.9175.2-67.20000113.1T50 I51 G56T50-C54 PolarHBondContact O-N 3.35Å; T50-C54 PolarHBondContact O-SG 3.18Å; T50-C54 VanDerWaalsContact O-SG 3.36Å; I51-C54 PolarHBondContact O-N 3.47Å; I51-C54 VanDerWaalsContact O-N 3.14Å; C54-G56 PolarHBondContact O-N 3.36Å
55R84.5Confident81.3Confident1 Ų146.4 Ų46.40%0.00427%0.274CS..THydrogen-bonded Turntrans-75.8-9.9172.5-66.1-179.3-177.7-172.9-5.3112.5I51 L52 E53 L57 V72 S75 G76 D77 E82 P250 F252I51-R55 WeakPolarHBondContact O-CG 3.37Å; I51-R55 PolarHBondContact O-N 2.91Å; L52-R55 CarbonylContact O-C 3.38Å; L52-R55 PolarHBondContact O-N 2.9Å; E53-R55 VanDerWaalsContact C-N 3.31Å; E53-R55 PolarHBondContact O-N 3.47Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 HydrophobicContact CB-CG 4.47Å; R55-L57 PolarHBondContact O-N 3.33Å; R55-V72 PolarHBondContact NH1-O 2.73Å; R55-S75 WeakPolarHBondContact CD-OG 3.43Å; R55-S75 PolarHBondContact NH1-OG 3.44Å; R55-G76 PolarHBondContact NH1-O 2.78Å; R55-D77 PolarHBondContact NH2-O 3.13Å; R55-E82 IonicContact CZ-OE1 2.87Å; R55-E82 VanDerWaalsContact CZ-OE1 3.29Å; R55-E82 IonicContact CZ-OE2 2.78Å; R55-E82 IonicContact NE-OE1 3.77Å; R55-E82 PolarHBondContact NE-OE1 3.21Å; R55-E82 IonicContact NE-OE2 3.73Å; R55-E82 VanDerWaalsContact NH2-CD 3.3Å; R55-E82 IonicContact NH2-OE1 4Å; R55-E82 PolarHBondContact NH2-OE1 3.05Å; R55-E82 IonicContact NH2-OE2 3.9Å; R55-E82 PolarHBondContact NH2-OE2 2.9Å; R55-P250 WeakPolarHBondContact O-CB 3.48Å; R55-F252 VanDerWaalsContact O-CD1 3.28Å; R55-F252 WeakPolarHBondContact O-CD1 3.48Å
56G80.4Confident81.4Confident4 Ų452.7 Ų52.74%0.04130%0.296CS..THydrogen-bonded Turntrans65.734.1179.100000114.2L52 E53 C54 F150 A251L52-G56 PolarHBondContact O-N 3.43Å; E53-G56 WeakPolarHBondContact O-CA 3.39Å; E53-G56 PolarHBondContact O-N 3.39Å; C54-G56 PolarHBondContact O-N 3.36Å; G56-F150 VanDerWaalsContact CA-CE1 3.5Å; G56-A251 WeakPolarHBondContact O-CB 3.37Å; G56-A251 PolarHBondContact O-N 3.09Å
57L83Confident81.4Confident17 Ų1750 Ų509%0.08928%0.282CS..  trans-97126.9172.9-67175.7000109.6L52 R55 Y59 L71 L246 P250L52-L57 HydrophobicContact CD2-CB 4.24Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 PolarHBondContact O-N 3.5Å; R55-L57 VanDerWaalsContact C-N 3.33Å; R55-L57 HydrophobicContact CB-CG 4.47Å; R55-L57 PolarHBondContact O-N 3.33Å; L57-Y59 PolarHBondContact O-N 3.44Å; L57-L71 HydrophobicContact CD1-CG 4.5Å; L57-L246 HydrophobicContact CD1-CD2 4.44Å; L57-L246 HydrophobicContact CD2-CD1 4.36Å; L57-P250 HydrophobicContact CD2-CB 4.25Å; L57-P250 HydrophobicContact CD2-CG 4.23Å
58G74.5Confident81.4Confident41 Ų4145.7 Ų45.742%0.42326%0.263SS..  trans-73.9119.1177.100000111.2
59Y74.5Confident81.5Confident23 Ų2349.4 Ų49.49%0.0928%0.277CS..  trans-99.812.9176.158.9-88.5000112.9K49 L52 E53 L57 G61 L62K49-Y59 HydrophobicContact CD-CE1 4.35Å; K49-Y59 HydrophobicContact CD-CE2 3.81Å; K49-Y59 WeakPolarHBondContact CD-OH 3.31Å; K49-Y59 WeakPolarHBondContact CE-OH 3.27Å; K49-Y59 HydrophobicContact CG-CD1 4.49Å; K49-Y59 HydrophobicContact CG-CE1 3.88Å; K49-Y59 HydrophobicContact CG-CE2 4.1Å; K49-Y59 PolarHBondContact NZ-OH 3.34Å; L52-Y59 HydrophobicContact CB-CD1 4.45Å; E53-Y59 HydrophobicContact CG-CD1 4.44Å; E53-Y59 HydrophobicContact CG-CE1 3.57Å; E53-Y59 WeakPolarHBondContact OE1-CE1 3.46Å; E53-Y59 PolarHBondContact OE1-OH 3.07Å; L57-Y59 PolarHBondContact O-N 3.44Å; Y59-G61 PolarHBondContact O-N 2.92Å; Y59-G61 VanDerWaalsContact O-N 3.13Å; Y59-L62 WeakPolarHBondContact O-CB 3.3Å; Y59-L62 PolarHBondContact O-N 2.72Å
60S66.3Low81.5Confident45 Ų4550.6 Ų50.632%0.31528%0.284SS..THydrogen-bonded Turntrans-58.3117.6-178.752.40000111.8
61G68.4Low81.6Confident80 Ų8051.5 Ų51.583%0.82529%0.288SS*.THydrogen-bonded Turntrans100.2-7.3-177.700000115.2Y59 A63Y59-G61 PolarHBondContact O-N 2.92Å; Y59-G61 VanDerWaalsContact O-N 3.13Å; G61-A63 PolarHBondContact O-N 3.22Å
62L75.6Confident81.7Confident53 Ų5351.6 Ų51.628%0.27729%0.288SS..  trans-89.896.7172.7-59.4179.6000109.4Y59 D67 V68 L71Y59-L62 WeakPolarHBondContact O-CB 3.3Å; Y59-L62 PolarHBondContact O-N 2.72Å; L62-D67 HydrophobicContact CB-CB 4.31Å; L62-D67 HydrophobicContact CD1-CB 4.39Å; L62-D67 HydrophobicContact CD2-CB 3.63Å; L62-D67 HydrophobicContact CG-CB 4.31Å; L62-V68 HydrophobicContact CB-CG2 3.88Å; L62-V68 HydrophobicContact CD1-CG2 4.47Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å
63A73.2Confident81.7Confident91 Ų9155.8 Ų55.875%0.75231%0.308SS*.  trans-84.8-25.517800000112.3G61G61-A63 PolarHBondContact O-N 3.22Å
64E85.7Confident81.7Confident113 Ų11357.5 Ų57.553%0.52832%0.315SS..SBendtrans-90.2140.9-174.8-60.7-166-17600112.6R66 D67 V68E64-R66 PolarHBondContact O-N 3.29Å; E64-D67 PolarHBondContact O-N 2.88Å; E64-V68 PolarHBondContact O-N 3.14Å
65K87Confident81.9Confident85 Ų8556.4 Ų56.437%0.3731%0.308SS..Hα-helixtrans-58.6-31.2173.7-180179.2166.7-178.20112V41 L43 F45 L48 R69V41-K65 PolarHBondContact O-NZ 3.26Å; L43-K65 WeakPolarHBondContact O-CE 3.47Å; L43-K65 PolarHBondContact O-NZ 3.36Å; F45-K65 HydrophobicContact CD2-CB 3.92Å; F45-K65 HydrophobicContact CD2-CG 4.32Å; L48-K65 HydrophobicContact CD1-CG 4.19Å; K65-R69 VanDerWaalsContact O-CB 3.23Å; K65-R69 WeakPolarHBondContact O-CB 3.4Å; K65-R69 PolarHBondContact O-N 3.31Å
66R87Confident81.8Confident200 Ų20056.5 Ų56.576%0.75531%0.309SS*.Hα-helixtrans-65-48.5-178.6-67.7-179.2177.5-178.3-0.4111.4E64 V68 R69 E70E64-R66 PolarHBondContact O-N 3.29Å; R66-V68 PolarHBondContact O-N 3.33Å; R66-R69 WeakPolarHBondContact O-CB 3.14Å; R66-R69 PolarHBondContact O-N 2.58Å; R66-E70 PolarHBondContact O-N 2.87Å
67D86.9Confident81.8Confident58 Ų5861.3 Ų61.331%0.3133%0.333SS..Hα-helixtrans-67.9-39.4-178.5-50.4-23000112L62 E64 R69 E70 L71L62-D67 HydrophobicContact CB-CB 4.31Å; L62-D67 HydrophobicContact CD1-CB 4.39Å; L62-D67 HydrophobicContact CD2-CB 3.63Å; L62-D67 HydrophobicContact CG-CB 4.31Å; E64-D67 PolarHBondContact O-N 2.88Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 3.44Å; D67-E70 PolarHBondContact O-N 3.29Å; D67-L71 WeakPolarHBondContact O-CB 3.23Å; D67-L71 PolarHBondContact O-N 3.34Å
68V87.1Confident81.8Confident1 Ų160.8 Ų60.81%0.00633%0.331CS..Hα-helixtrans-61.8-43.5174.6170.80000110.5F45 L48 L52 L62 E64 R66 L71 V72F45-V68 HydrophobicContact CE2-CB 4.14Å; F45-V68 HydrophobicContact CE2-CG1 4.46Å; F45-V68 HydrophobicContact CE2-CG2 3.61Å; F45-V68 HydrophobicContact CZ-CG2 4.12Å; L48-V68 HydrophobicContact CB-CG1 3.82Å; L52-V68 HydrophobicContact CD1-CG1 3.7Å; L62-V68 HydrophobicContact CB-CG2 3.88Å; L62-V68 HydrophobicContact CD1-CG2 4.47Å; E64-V68 PolarHBondContact O-N 3.14Å; R66-V68 PolarHBondContact O-N 3.33Å; V68-L71 PolarHBondContact O-N 3.17Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 2.82Å
69R88Confident82.1Confident78 Ų7859.9 Ų59.929%0.29432%0.316SS..Hα-helixtrans-63.4-46.7176.4171.9179.6170-164.6-3.5111.8P40 L48 K65 R66 D67 L71 V72 E73P40-R69 HydrophobicContact CB-CG 4.23Å; P40-R69 HydrophobicContact CG-CG 4.38Å; L48-R69 HydrophobicContact CD1-CB 4.33Å; K65-R69 VanDerWaalsContact O-CB 3.23Å; K65-R69 WeakPolarHBondContact O-CB 3.4Å; K65-R69 PolarHBondContact O-N 3.31Å; R66-R69 WeakPolarHBondContact O-CB 3.14Å; R66-R69 PolarHBondContact O-N 2.58Å; D67-R69 VanDerWaalsContact C-N 3.32Å; D67-R69 PolarHBondContact O-N 3.44Å; R69-L71 PolarHBondContact O-N 2.89Å; R69-V72 WeakPolarHBondContact O-CB 3.41Å; R69-V72 PolarHBondContact O-N 2.81Å; R69-V72 VanDerWaalsContact O-N 3.07Å; R69-E73 HydrophobicContact CG-CG 4.5Å; R69-E73 IonicContact CZ-OE1 3.27Å; R69-E73 VanDerWaalsContact CZ-OE1 3.27Å; R69-E73 IonicContact NE-OE1 2.76Å; R69-E73 PolarHBondContact NE-OE1 3.1Å; R69-E73 IonicContact NH2-OE1 2.9Å; R69-E73 PolarHBondContact NH2-OE1 3.37Å; R69-E73 PolarHBondContact O-N 3.16Å
70E88.1Confident82.2Confident91 Ų9161.5 Ų61.543%0.42532%0.324SS..Hα-helixtrans-59.1-38.3178-173.4-174.4173.500110.8R66 D67 E73 K74R66-E70 PolarHBondContact O-N 2.87Å; D67-E70 PolarHBondContact O-N 3.29Å; E70-E73 PolarHBondContact O-N 2.9Å; E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.28Å; E70-K74 VanDerWaalsContact O-CG 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 3.37Å; E70-K74 WeakPolarHBondContact OE1-CE 3.25Å; E70-K74 IonicContact OE1-NZ 3.45Å; E70-K74 PolarHBondContact OE1-NZ 3.06Å
71L86.3Confident82.6Confident35 Ų3559.9 Ų59.918%0.18331%0.314CS..Hα-helixtrans-66.6-38.7175.3-171.560.7000112.4L52 L57 L62 D67 V68 R69 K74 S75 L246L52-L71 HydrophobicContact CD1-CB 4.49Å; L52-L71 HydrophobicContact CD1-CD2 4.04Å; L52-L71 HydrophobicContact CD1-CG 4.47Å; L52-L71 HydrophobicContact CD2-CB 4.44Å; L52-L71 HydrophobicContact CD2-CD2 4.25Å; L52-L71 HydrophobicContact CD2-CG 4.04Å; L57-L71 HydrophobicContact CD1-CG 4.5Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å; D67-L71 WeakPolarHBondContact O-CB 3.23Å; D67-L71 PolarHBondContact O-N 3.34Å; V68-L71 PolarHBondContact O-N 3.17Å; R69-L71 PolarHBondContact O-N 2.89Å; L71-K74 PolarHBondContact O-N 3.44Å; L71-S75 VanDerWaalsContact O-CB 3.29Å; L71-S75 WeakPolarHBondContact O-CB 3.43Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 PolarHBondContact O-OG 3.27Å; L71-L246 HydrophobicContact CD1-CD2 3.93Å
72V87.6Confident83.2Confident1 Ų156.2 Ų56.21%0.00628%0.276CS..Hα-helixtrans-61.5-50173.4172.90000110.1L48 L52 R55 V68 R69 K74 S75 G76L48-V72 HydrophobicContact CD2-CG2 4.25Å; L52-V72 HydrophobicContact CD1-CG2 4.17Å; L52-V72 HydrophobicContact CD2-CB 4.41Å; L52-V72 HydrophobicContact CD2-CG2 3.53Å; L52-V72 HydrophobicContact CG-CG2 3.59Å; R55-V72 PolarHBondContact NH1-O 2.73Å; V68-V72 WeakPolarHBondContact O-CG2 3.33Å; V68-V72 PolarHBondContact O-N 2.82Å; R69-V72 WeakPolarHBondContact O-CB 3.41Å; R69-V72 PolarHBondContact O-N 2.81Å; R69-V72 VanDerWaalsContact O-N 3.07Å; V72-K74 VanDerWaalsContact C-N 3.34Å; V72-K74 PolarHBondContact O-N 2.93Å; V72-S75 WeakPolarHBondContact CA-OG 3.36Å; V72-S75 WeakPolarHBondContact O-CA 3.33Å; V72-S75 PolarHBondContact O-N 2.93Å; V72-S75 PolarHBondContact O-OG 2.94Å; V72-G76 PolarHBondContact O-N 2.79Å
73E87.4Confident83.5Confident88 Ų8854.1 Ų54.141%0.41127%0.265SS..Hα-helixtrans-59.8-42.8178.8-70.9174-179.300111.6P40 R69 E70 S75 G76P40-E73 HydrophobicContact CG-CG 3.91Å; P40-E73 WeakPolarHBondContact CG-OE1 3.39Å; R69-E73 HydrophobicContact CG-CG 4.5Å; R69-E73 IonicContact CZ-OE1 3.27Å; R69-E73 VanDerWaalsContact CZ-OE1 3.27Å; R69-E73 IonicContact NE-OE1 2.76Å; R69-E73 PolarHBondContact NE-OE1 3.1Å; R69-E73 IonicContact NH2-OE1 2.9Å; R69-E73 PolarHBondContact NH2-OE1 3.37Å; R69-E73 PolarHBondContact O-N 3.16Å; E70-E73 PolarHBondContact O-N 2.9Å; E73-S75 PolarHBondContact O-N 2.93Å; E73-G76 PolarHBondContact O-N 2.96Å
74K84.8Confident83.7Confident78 Ų7857.5 Ų57.534%0.33926%0.26SS..Hα-helixtrans-65.3-22.5174.3-74.9175.8-176.8169.90113.9E70 L71 V72 L246E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.28Å; E70-K74 VanDerWaalsContact O-CG 3.29Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 3.37Å; E70-K74 WeakPolarHBondContact OE1-CE 3.25Å; E70-K74 IonicContact OE1-NZ 3.45Å; E70-K74 PolarHBondContact OE1-NZ 3.06Å; L71-K74 PolarHBondContact O-N 3.44Å; V72-K74 VanDerWaalsContact C-N 3.34Å; V72-K74 PolarHBondContact O-N 2.93Å; K74-L246 HydrophobicContact CB-CD2 4.32Å
75S82.8Confident83.3Confident2 Ų254 Ų541%0.01425%0.247CC..Hα-helixtrans-91.9-8.7-178.171.20000114.3R55 L71 V72 E73 P289R55-S75 WeakPolarHBondContact CD-OG 3.43Å; R55-S75 PolarHBondContact NH1-OG 3.44Å; L71-S75 VanDerWaalsContact O-CB 3.29Å; L71-S75 WeakPolarHBondContact O-CB 3.43Å; L71-S75 PolarHBondContact O-N 3.45Å; L71-S75 PolarHBondContact O-OG 3.27Å; V72-S75 WeakPolarHBondContact CA-OG 3.36Å; V72-S75 WeakPolarHBondContact O-CA 3.33Å; V72-S75 PolarHBondContact O-N 2.93Å; V72-S75 PolarHBondContact O-OG 2.94Å; E73-S75 PolarHBondContact O-N 2.93Å; S75-P289 WeakPolarHBondContact O-CG 3.42Å
76G83.3Confident82.9Confident3 Ų350 Ų503%0.03123%0.23CC..  trans134.3158.817600000113R55 V72 E73 P289R55-G76 PolarHBondContact NH1-O 2.78Å; V72-G76 PolarHBondContact O-N 2.79Å; E73-G76 PolarHBondContact O-N 2.96Å; G76-P289 VanDerWaalsContact CA-CG 3.4Å; G76-P289 VanDerWaalsContact N-CG 3.33Å
77D80.7Confident82.6Confident104 Ų10442.8 Ų42.856%0.55621%0.206SC*.  trans-56.1146.4171.6-70.2-26.3000110.8L37 R55L37-D77 HydrophobicContact CD2-CB 3.83Å; R55-D77 PolarHBondContact NH2-O 3.13Å
78L82.1Confident82.1Confident7 Ų742 Ų424%0.03720%0.2CC..  trans-103.1115.4-179.9-179.365.4000109.5V38 L43 I51 E82V38-L78 HydrophobicContact CB-CD2 4.09Å; V38-L78 HydrophobicContact CB-CG 4.19Å; V38-L78 HydrophobicContact CG1-CD2 4.21Å; V38-L78 PolarHBondContact N-O 2.65Å; L43-L78 HydrophobicContact CD1-CD2 3.31Å; I51-L78 HydrophobicContact CD1-CD1 3.63Å; I51-L78 HydrophobicContact CD1-CD2 3.55Å; I51-L78 HydrophobicContact CD1-CG 4.25Å; I51-L78 HydrophobicContact CG1-CD1 4.09Å; I51-L78 HydrophobicContact CG2-CD1 4.02Å; L78-E82 HydrophobicContact CD1-CB 4.43Å; L78-E82 HydrophobicContact CD1-CG 4.44Å
79M80.6Confident81.4Confident22 Ų2244.4 Ų44.411%0.10821%0.213CC..BIsolated β-bridgetrans-92.8149173-69.7-163-84.300111.6G81 E82 L83 E308 F309M79-G81 VanDerWaalsContact C-N 3.26Å; M79-G81 PolarHBondContact O-N 3.46Å; M79-E82 WeakPolarHBondContact O-CB 3.47Å; M79-E82 PolarHBondContact O-N 3.25Å; M79-E82 VanDerWaalsContact O-N 3.1Å; M79-L83 PolarHBondContact O-N 3.31Å; M79-L83 VanDerWaalsContact O-N 3.16Å; M79-E308 WeakPolarHBondContact CE-O 3.02Å; M79-F309 HydrophobicContact CB-CD1 3.9Å; M79-F309 HydrophobicContact CB-CE1 3.91Å; M79-F309 HydrophobicContact CE-CB 4.46Å; M79-F309 HydrophobicContact CE-CD1 3.32Å; M79-F309 HydrophobicContact CE-CE1 3.76Å; M79-F309 HydrophobicContact CE-CG 4.17Å; M79-F309 HydrophobicContact SD-CD1 4.05Å; M79-F309 HydrophobicContact SD-CE1 3.92Å
80Q78.5Confident80.7Confident56 Ų5645.5 Ų45.526%0.26222%0.221SC..Hα-helixtrans-59.4-36.1178.4-175.168.4-3.500112.6A34 Q36 V38 L83 Y84A34-Q80 PolarHBondContact O-N 3.47Å; Q36-Q80 PolarHBondContact O-N 2.78Å; V38-Q80 HydrophobicContact CG2-CB 3.79Å; V38-Q80 HydrophobicContact CG2-CG 4.49Å; Q80-L83 PolarHBondContact O-N 3.32Å; Q80-Y84 WeakPolarHBondContact O-CB 3.25Å; Q80-Y84 PolarHBondContact O-N 3.5Å
81G73.1Confident80Confident11 Ų1147.6 Ų47.611%0.11323%0.229CC..Hα-helixtrans-64.9-36.6175.700000113.2A34 M79 Y84 S85A34-G81 PolarHBondContact O-N 2.86Å; M79-G81 VanDerWaalsContact C-N 3.26Å; M79-G81 PolarHBondContact O-N 3.46Å; G81-Y84 PolarHBondContact O-N 3.11Å; G81-S85 WeakPolarHBondContact O-CB 3.42Å; G81-S85 PolarHBondContact O-N 3.36Å; G81-S85 PolarHBondContact O-OG 3.35Å
82E80.9Confident79.2Confident3 Ų350.2 Ų50.21%0.01424%0.24CC..Hα-helixtrans-64.3-48173.7-174.4-173.6161.900110.4R55 L78 M79 Y84 S85 A86 F309R55-E82 IonicContact CZ-OE1 2.87Å; R55-E82 VanDerWaalsContact CZ-OE1 3.29Å; R55-E82 IonicContact CZ-OE2 2.78Å; R55-E82 IonicContact NE-OE1 3.77Å; R55-E82 PolarHBondContact NE-OE1 3.21Å; R55-E82 IonicContact NE-OE2 3.73Å; R55-E82 VanDerWaalsContact NH2-CD 3.3Å; R55-E82 IonicContact NH2-OE1 4Å; R55-E82 PolarHBondContact NH2-OE1 3.05Å; R55-E82 IonicContact NH2-OE2 3.9Å; R55-E82 PolarHBondContact NH2-OE2 2.9Å; L78-E82 HydrophobicContact CD1-CB 4.43Å; L78-E82 HydrophobicContact CD1-CG 4.44Å; M79-E82 WeakPolarHBondContact O-CB 3.47Å; M79-E82 PolarHBondContact O-N 3.25Å; M79-E82 VanDerWaalsContact O-N 3.1Å; E82-Y84 VanDerWaalsContact C-N 3.32Å; E82-Y84 PolarHBondContact O-N 3.03Å; E82-S85 PolarHBondContact O-N 3.36Å; E82-S85 PolarHBondContact O-OG 3.2Å; E82-A86 WeakPolarHBondContact O-CB 3.35Å; E82-A86 PolarHBondContact O-N 3.26Å; E82-F309 HydrophobicContact CB-CB 4.46Å; E82-F309 HydrophobicContact CB-CD1 4.28Å
83L82.9Confident78Confident10 Ų1051.4 Ų51.45%0.05225%0.246CC..Hα-helixtrans-58.9-43.3176.8176.363.2000111.8V38 L43 K47 I51 M79 Q80 A86 I87V38-L83 HydrophobicContact CG1-CD2 4.43Å; L43-L83 HydrophobicContact CD1-CD2 4.45Å; L43-L83 HydrophobicContact CD2-CD2 3.86Å; K47-L83 HydrophobicContact CB-CD1 4.48Å; I51-L83 HydrophobicContact CD1-CD1 4.05Å; I51-L83 HydrophobicContact CG1-CD1 4.39Å; M79-L83 PolarHBondContact O-N 3.31Å; M79-L83 VanDerWaalsContact O-N 3.16Å; Q80-L83 PolarHBondContact O-N 3.32Å; L83-A86 PolarHBondContact O-N 3.18Å; L83-I87 HydrophobicContact CD1-CD1 3.81Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CG-CD1 3.93Å; L83-I87 WeakPolarHBondContact O-CD1 3.49Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å; L83-I87 PolarHBondContact O-N 3.07Å; L83-I87 VanDerWaalsContact O-N 3.09Å
84Y77.8Confident76.8Confident162 Ų16250.6 Ų50.664%0.63525%0.254SS*.Hα-helixtrans-62.9-45.6177.1-176.2-97000111.6Q80 G81 E82 A86 I87 K88Q80-Y84 WeakPolarHBondContact O-CB 3.25Å; Q80-Y84 PolarHBondContact O-N 3.5Å; G81-Y84 PolarHBondContact O-N 3.11Å; E82-Y84 VanDerWaalsContact C-N 3.32Å; E82-Y84 PolarHBondContact O-N 3.03Å; Y84-A86 VanDerWaalsContact C-N 3.35Å; Y84-A86 PolarHBondContact O-N 3.43Å; Y84-I87 PolarHBondContact O-N 2.93Å; Y84-K88 HydrophobicContact CE1-CD 4.42Å; Y84-K88 WeakPolarHBondContact O-CB 3.42Å; Y84-K88 PolarHBondContact O-N 2.86Å
85S75.8Confident75.7Confident38 Ų3854.7 Ų54.727%0.26628%0.275SS..Hα-helixtrans-62.1-40.7177.871.30000112.5G81 E82 I87 K88 N89G81-S85 WeakPolarHBondContact O-CB 3.42Å; G81-S85 PolarHBondContact O-N 3.36Å; G81-S85 PolarHBondContact O-OG 3.35Å; E82-S85 PolarHBondContact O-N 3.36Å; E82-S85 PolarHBondContact O-OG 3.2Å; S85-I87 PolarHBondContact O-N 3.37Å; S85-K88 PolarHBondContact O-N 3.17Å; S85-N89 WeakPolarHBondContact O-CB 3.3Å; S85-N89 PolarHBondContact O-N 3.21Å; S85-N89 PolarHBondContact O-ND2 3.26Å; S85-N89 PolarHBondContact O-OD1 3.35Å
86A78.3Confident74.5Confident2 Ų257.4 Ų57.42%0.01729%0.293CS..Hα-helixtrans-63.3-43.7177.300000111.7T50 E82 L83 Y84 E90T50-A86 HydrophobicContact CG2-CB 4.2Å; E82-A86 WeakPolarHBondContact O-CB 3.35Å; E82-A86 PolarHBondContact O-N 3.26Å; L83-A86 PolarHBondContact O-N 3.18Å; Y84-A86 VanDerWaalsContact C-N 3.35Å; Y84-A86 PolarHBondContact O-N 3.43Å; A86-E90 PolarHBondContact O-N 3.26Å
87I80.8Confident73Confident48 Ų4866.2 Ų66.225%0.24633%0.334CS..Hα-helixtrans-69.6-39.6177.9-65.3165.7000111.3L83 Y84 S85 E90 K91L83-I87 HydrophobicContact CD1-CD1 3.81Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CG-CD1 3.93Å; L83-I87 WeakPolarHBondContact O-CD1 3.49Å; L83-I87 VanDerWaalsContact O-CG1 3.27Å; L83-I87 WeakPolarHBondContact O-CG1 3.33Å; L83-I87 PolarHBondContact O-N 3.07Å; L83-I87 VanDerWaalsContact O-N 3.09Å; Y84-I87 PolarHBondContact O-N 2.93Å; S85-I87 PolarHBondContact O-N 3.37Å; I87-E90 PolarHBondContact O-N 2.9Å; I87-K91 HydrophobicContact CG2-CD 4.39Å; I87-K91 WeakPolarHBondContact O-CG 3.21Å; I87-K91 PolarHBondContact O-N 3.18Å
88K76.8Confident71.5Confident43 Ų4366.3 Ų66.319%0.18734%0.343CS..Hα-helixtrans-60.3-49.5176.3179.2177.4171.6177.30110.3Y84 S85 E90 K91 E92Y84-K88 HydrophobicContact CE1-CD 4.42Å; Y84-K88 WeakPolarHBondContact O-CB 3.42Å; Y84-K88 PolarHBondContact O-N 2.86Å; S85-K88 PolarHBondContact O-N 3.17Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.42Å; K88-K91 PolarHBondContact O-N 3.49Å; K88-K91 VanDerWaalsContact O-N 3.11Å; K88-E92 VanDerWaalsContact CE-CD 3.46Å; K88-E92 WeakPolarHBondContact CE-OE1 3.18Å; K88-E92 HydrophobicContact CG-CG 4.28Å; K88-E92 IonicContact NZ-OE1 3.68Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.9Å
89N72.6Confident70.2Confident51 Ų5169.5 Ų69.527%0.27336%0.357SS..Hα-helixtrans-58.7-42.1177.2-69.3-11.5000111.5S85 K91 Q93S85-N89 WeakPolarHBondContact O-CB 3.3Å; S85-N89 PolarHBondContact O-N 3.21Å; S85-N89 PolarHBondContact O-ND2 3.26Å; S85-N89 PolarHBondContact O-OD1 3.35Å; N89-K91 VanDerWaalsContact C-N 3.33Å; N89-K91 PolarHBondContact O-N 2.93Å; N89-Q93 VanDerWaalsContact O-CB 3.25Å; N89-Q93 WeakPolarHBondContact O-CB 3.33Å; N89-Q93 WeakPolarHBondContact O-CG 3.36Å; N89-Q93 PolarHBondContact O-N 3.45Å
90E73.9Confident69.5Low100 Ų10073.8 Ų73.847%0.46739%0.39SS..Hα-helixtrans-62.4-38.8176.9-168.4177.4177.800112.3T50 A86 I87 K88 A94T50-E90 HydrophobicContact CG2-CB 4.47Å; T50-E90 WeakPolarHBondContact CG2-OE2 3.49Å; T50-E90 PolarHBondContact OG1-OE2 2.9Å; A86-E90 PolarHBondContact O-N 3.26Å; I87-E90 PolarHBondContact O-N 2.9Å; K88-E90 VanDerWaalsContact C-N 3.3Å; K88-E90 PolarHBondContact O-N 3.42Å; E90-A94 PolarHBondContact O-N 3.27Å
91K72.3Confident69.7Low136 Ų13672.7 Ų72.759%0.59139%0.388SS*.Hα-helixtrans-71.4-49176.9-73.6179.1178.2-177.50112.8I87 K88 N89 Q93 A94 E95I87-K91 HydrophobicContact CG2-CD 4.39Å; I87-K91 WeakPolarHBondContact O-CG 3.21Å; I87-K91 PolarHBondContact O-N 3.18Å; K88-K91 PolarHBondContact O-N 3.49Å; K88-K91 VanDerWaalsContact O-N 3.11Å; N89-K91 VanDerWaalsContact C-N 3.33Å; N89-K91 PolarHBondContact O-N 2.93Å; K91-Q93 PolarHBondContact O-N 3.46Å; K91-A94 WeakPolarHBondContact O-CB 3.43Å; K91-A94 PolarHBondContact O-N 3.42Å; K91-E95 PolarHBondContact O-N 3.46Å
92E69.6Low70.4Confident90 Ų9074.4 Ų74.442%0.42140%0.396SS..Hα-helixtrans-59.2-38.2178.4-72.7179.7161.200110.7K88 A94 E95 S96K88-E92 VanDerWaalsContact CE-CD 3.46Å; K88-E92 WeakPolarHBondContact CE-OE1 3.18Å; K88-E92 HydrophobicContact CG-CG 4.28Å; K88-E92 IonicContact NZ-OE1 3.68Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.9Å; E92-A94 PolarHBondContact O-N 3.48Å; E92-E95 PolarHBondContact O-N 2.93Å; E92-S96 PolarHBondContact O-N 2.77Å; E92-S96 PolarHBondContact O-OG 2.96Å; E92-S96 VanDerWaalsContact O-OG 3.09Å
93Q63.9Low70.9Confident25 Ų2578.8 Ų78.812%0.11742%0.424CS..Hα-helixtrans-71.1-28.3176.3-68.8162.913.200114N89 K91 E95 Q145 Q149N89-Q93 VanDerWaalsContact O-CB 3.25Å; N89-Q93 WeakPolarHBondContact O-CB 3.33Å; N89-Q93 WeakPolarHBondContact O-CG 3.36Å; N89-Q93 PolarHBondContact O-N 3.45Å; K91-Q93 PolarHBondContact O-N 3.46Å; Q93-E95 PolarHBondContact O-N 2.96Å; Q93-Q145 HydrophobicContact CB-CG 4.15Å; Q93-Q145 HydrophobicContact CG-CG 4.06Å; Q93-Q149 VanDerWaalsContact OE1-NE2 3.1Å
94A61.9Low71.3Confident72 Ų7278.5 Ų78.560%0.59542%0.422SS*.Hα-helixtrans-68.4-28.5172.200000111.7E90 K91 E92E90-A94 PolarHBondContact O-N 3.27Å; K91-A94 WeakPolarHBondContact O-CB 3.43Å; K91-A94 PolarHBondContact O-N 3.42Å; E92-A94 PolarHBondContact O-N 3.48Å
95E62.2Low71.8Confident164 Ų16475 Ų7577%0.76642%0.421SS*.Hα-helixtrans-87.1-37.2179.2-67175.6-174.400112.2K91 E92 Q93 Q97K91-E95 PolarHBondContact O-N 3.46Å; E92-E95 PolarHBondContact O-N 2.93Å; Q93-E95 PolarHBondContact O-N 2.96Å; E95-Q97 PolarHBondContact O-N 3.45Å
96S56Low72.4Confident58 Ų5873.9 Ų73.941%0.40642%0.416SS..  trans-90.580178.169.60000112.1E92 S98E92-S96 PolarHBondContact O-N 2.77Å; E92-S96 PolarHBondContact O-OG 2.96Å; E92-S96 VanDerWaalsContact O-OG 3.09Å; S96-S98 PolarHBondContact O-N 3.3Å
97Q51.6Low72.9Confident188 Ų18877.1 Ų77.188%0.87943%0.43SS*.  trans-66.97.4178.7-72.4-172.7-200115.7E95E95-Q97 PolarHBondContact O-N 3.45Å
98S49.1Very low73.4Confident106 Ų10682.7 Ų82.774%0.74146%0.457SS*.  trans-142.674.3-177.165.90000112.5S96S96-S98 PolarHBondContact O-N 3.3Å
99E56.3Low74.1Confident74 Ų7483.6 Ų83.635%0.34646%0.462SS..  trans-70.5133.8157.5-76.1-172.8168.100109.7S101 V144 Q145 S148E99-S101 PolarHBondContact O-N 2.75Å; E99-V144 HydrophobicContact CB-CG1 4.12Å; E99-Q145 WeakPolarHBondContact OE2-CA 3.21Å; E99-S148 PolarHBondContact OE1-OG 3.25Å; E99-S148 WeakPolarHBondContact OE2-CB 3.46Å; E99-S148 PolarHBondContact OE2-OG 3.15Å
100S64.9Low75Confident113 Ų11381.2 Ų81.279%0.7945%0.449SS*.  trans-7788.9-168.458.10000112.3
101S83.3Confident75.7Confident33 Ų3382.1 Ų82.123%0.23145%0.449CS..PPolyproline II helixtrans-66.9128.2160.7173.30000109E99 W140E99-S101 PolarHBondContact O-N 2.75Å; S101-W140 PolarHBondContact OG-NE1 2.87Å
102T87.8Confident76.5Confident46 Ų4681.4 Ų81.428%0.28245%0.448SS..EExtended strand (participates in β ladder)trans-74.4137.6179.163.40000110.5W122 T154 G155 T156T102-W122 HydrophobicContact CG2-CH2 4.15Å; T102-W122 HydrophobicContact CG2-CZ3 4.16Å; T102-W122 VanDerWaalsContact OG1-CZ3 3.31Å; T102-W122 WeakPolarHBondContact OG1-CZ3 3.38Å; T102-T154 PolarHBondContact N-O 3.21Å; T102-T154 PolarHBondContact OG1-O 3.02Å; T102-G155 CarbonylContact O-C 3.54Å; T102-G155 WeakPolarHBondContact O-CA 3.5Å; T102-T156 PolarHBondContact O-N 3.34Å
103T91.3Very high77.4Confident96 Ų9679.1 Ų79.159%0.58944%0.439SS*.EExtended strand (participates in β ladder)trans-100.6119.6171.1-57.40000108.6T156T103-T156 PolarHBondContact OG1-OG1 2.86Å
104F91.9Very high78.6Confident4 Ų478 Ų782%0.01843%0.433CS..EExtended strand (participates in β ladder)trans-80.5131.7-178.8-63.6-73.3000111F110 L113 V114 W122 V124 T156 F157F104-F110 HydrophobicContact CD1-CB 4.29Å; F104-F110 HydrophobicContact CD1-CD2 4.3Å; F104-F110 HydrophobicContact CD2-CD2 4.18Å; F104-F110 HydrophobicContact CE1-CD2 4.34Å; F104-F110 HydrophobicContact CE2-CD2 4.22Å; F104-F110 HydrophobicContact CG-CD2 4.22Å; F104-F110 HydrophobicContact CZ-CD2 4.31Å; F104-L113 HydrophobicContact CE1-CB 4.22Å; F104-L113 HydrophobicContact CE1-CD1 4.12Å; F104-V114 HydrophobicContact CE1-CG2 3.77Å; F104-V114 HydrophobicContact CZ-CG2 3.55Å; F104-W122 HydrophobicContact CE1-CZ3 4.48Å; F104-W122 AromaticContact CZ-CE3 3.94Å; F104-W122 HydrophobicContact CZ-CE3 3.94Å; F104-W122 HydrophobicContact CZ-CH2 4.43Å; F104-W122 AromaticContact CZ-CZ3 3.83Å; F104-W122 HydrophobicContact CZ-CZ3 3.83Å; F104-V124 HydrophobicContact CD2-CG1 4Å; F104-V124 HydrophobicContact CE2-CB 4.34Å; F104-V124 HydrophobicContact CE2-CG1 3.7Å; F104-V124 HydrophobicContact CE2-CG2 3.69Å; F104-V124 HydrophobicContact CZ-CG2 4.13Å; F104-T156 PolarHBondContact N-O 3.34Å; F104-F157 HydrophobicContact CB-CB 4.42Å; F104-F157 HydrophobicContact CB-CD2 3.5Å; F104-F157 HydrophobicContact CB-CE2 4.15Å; F104-F157 HydrophobicContact CB-CG 4.34Å; F104-F157 HydrophobicContact CD2-CB 4.18Å; F104-F157 HydrophobicContact CD2-CD2 4.35Å; F104-F157 HydrophobicContact CG-CD2 4.17Å
105S87.3Confident79.8Confident89 Ų8976.2 Ų76.262%0.62241%0.413SS*.  trans-84.8-30.8-175.2-44.20000112.6H109 S161S105-H109 PolarHBondContact N-ND1 3.17Å; S105-H109 PolarHBondContact OG-ND1 3.27Å; S105-S161 PolarHBondContact O-OG 2.91Å
106G88.4Confident80.8Confident14 Ų1472.8 Ų72.814%0.14440%0.399CS..SBendtrans178.9-171.7-179.100000113.3M108 H109 F110G106-M108 PolarHBondContact O-N 3.37Å; G106-H109 PolarHBondContact O-N 3.26Å; G106-F110 PolarHBondContact O-N 3.16Å; G106-F110 VanDerWaalsContact O-N 3.14Å
107E89.9Confident81.7Confident69 Ų6971.7 Ų71.732%0.32239%0.391SS..Hα-helixtrans-51.8-48.3-176.9174.1165.7-15500113.2H109 F110 Y111 D162 Y165 K168E107-H109 PolarHBondContact O-N 3.07Å; E107-F110 PolarHBondContact O-N 2.84Å; E107-Y111 WeakPolarHBondContact O-CB 3.36Å; E107-Y111 PolarHBondContact O-N 2.87Å; E107-D162 PolarHBondContact N-OD2 3.15Å; E107-Y165 HydrophobicContact CB-CD2 3.61Å; E107-Y165 HydrophobicContact CB-CE2 4Å; E107-Y165 HydrophobicContact CB-CG 3.87Å; E107-Y165 HydrophobicContact CG-CD2 3.4Å; E107-Y165 HydrophobicContact CG-CE2 3.42Å; E107-Y165 VanDerWaalsContact CG-CE2 3.42Å; E107-Y165 HydrophobicContact CG-CG 4.19Å; E107-Y165 WeakPolarHBondContact OE1-CD2 3.37Å; E107-Y165 WeakPolarHBondContact OE1-CE2 3.48Å; E107-K168 IonicContact OE1-NZ 3.29Å; E107-K168 PolarHBondContact OE1-NZ 3.43Å; E107-K168 VanDerWaalsContact OE1-NZ 3.1Å
108M89.9Confident82.5Confident166 Ų16665.4 Ų65.482%0.81836%0.36SS*.Hα-helixtrans-63.9-44.8-175.7-66.9-179.2173.500112.5G106 F110 Y111 E112G106-M108 PolarHBondContact O-N 3.37Å; M108-F110 VanDerWaalsContact C-N 3.33Å; M108-F110 PolarHBondContact O-N 2.77Å; M108-Y111 PolarHBondContact O-N 3.28Å; M108-E112 WeakPolarHBondContact O-CB 3.43Å; M108-E112 PolarHBondContact O-N 3.11Å
109H91.5Very high83.4Confident62 Ų6265.8 Ų65.829%0.28735%0.354SS..Hα-helixtrans-65.8-37.3179.6-175.1-166.1000111.4S105 G106 E107 L113S105-H109 PolarHBondContact N-ND1 3.17Å; S105-H109 PolarHBondContact OG-ND1 3.27Å; G106-H109 PolarHBondContact O-N 3.26Å; E107-H109 PolarHBondContact O-N 3.07Å; H109-L113 VanDerWaalsContact CD2-CD1 3.5Å; H109-L113 WeakPolarHBondContact CD2-CD1 3.49Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.38Å; H109-L113 PolarHBondContact O-N 3.37Å
110F91.3Very high84.5Confident0 Ų062.7 Ų62.70%034%0.342CS..Hα-helixtrans-68.3-43.7173.7-178.4-90.6000111.8F104 G106 E107 M108 V114 E115 V124 F157 Y165 W171 L192F104-F110 HydrophobicContact CD1-CB 4.29Å; F104-F110 HydrophobicContact CD1-CD2 4.3Å; F104-F110 HydrophobicContact CD2-CD2 4.18Å; F104-F110 HydrophobicContact CE1-CD2 4.34Å; F104-F110 HydrophobicContact CE2-CD2 4.22Å; F104-F110 HydrophobicContact CG-CD2 4.22Å; F104-F110 HydrophobicContact CZ-CD2 4.31Å; G106-F110 PolarHBondContact O-N 3.16Å; G106-F110 VanDerWaalsContact O-N 3.14Å; E107-F110 PolarHBondContact O-N 2.84Å; M108-F110 VanDerWaalsContact C-N 3.33Å; M108-F110 PolarHBondContact O-N 2.77Å; F110-V114 HydrophobicContact CD1-CB 4.47Å; F110-V114 HydrophobicContact CD2-CB 4.32Å; F110-V114 HydrophobicContact CD2-CG2 3.92Å; F110-V114 HydrophobicContact CE1-CB 4.26Å; F110-V114 HydrophobicContact CE1-CG1 4.31Å; F110-V114 HydrophobicContact CE2-CB 4.1Å; F110-V114 HydrophobicContact CE2-CG1 4.09Å; F110-V114 HydrophobicContact CE2-CG2 3.91Å; F110-V114 HydrophobicContact CG-CG2 4.43Å; F110-V114 HydrophobicContact CZ-CB 4.07Å; F110-V114 HydrophobicContact CZ-CG1 3.82Å; F110-V114 HydrophobicContact CZ-CG2 4.39Å; F110-V114 WeakPolarHBondContact O-CA 3.45Å; F110-V114 VanDerWaalsContact O-CB 3.22Å; F110-V114 WeakPolarHBondContact O-CB 3.36Å; F110-V114 PolarHBondContact O-N 3.04Å; F110-E115 HydrophobicContact CD1-CG 4.29Å; F110-E115 HydrophobicContact CE1-CG 3.93Å; F110-V124 HydrophobicContact CE2-CB 4.4Å; F110-V124 HydrophobicContact CE2-CG1 4.15Å; F110-V124 HydrophobicContact CE2-CG2 4.08Å; F110-F157 HydrophobicContact CB-CD2 4.28Å; F110-F157 HydrophobicContact CB-CE2 4.13Å; F110-F157 HydrophobicContact CD2-CD2 4.12Å; F110-F157 HydrophobicContact CG-CD2 4.44Å; F110-Y165 HydrophobicContact CD1-CE1 4.24Å; F110-Y165 VanDerWaalsContact CD1-OH 3.27Å; F110-Y165 WeakPolarHBondContact CD1-OH 3.49Å; F110-W171 HydrophobicContact CE1-CH2 4.15Å; F110-W171 HydrophobicContact CE2-CH2 4.45Å; F110-W171 AromaticContact CZ-CH2 3.99Å; F110-W171 HydrophobicContact CZ-CH2 3.99Å; F110-L192 HydrophobicContact CE1-CD1 4.27Å; F110-L192 HydrophobicContact CZ-CD1 4.41Å; F110-L192 HydrophobicContact CZ-CD2 4.38Å
111Y89.9Confident85.7Confident119 Ų11957.5 Ų57.547%0.46731%0.305SS..Iπ-helixtrans-59.8-52.2178.7179.4-91.3000111.4E107 M108 L113 E115 D116E107-Y111 WeakPolarHBondContact O-CB 3.36Å; E107-Y111 PolarHBondContact O-N 2.87Å; M108-Y111 PolarHBondContact O-N 3.28Å; Y111-L113 PolarHBondContact O-N 3.33Å; Y111-E115 HydrophobicContact CD2-CB 3.83Å; Y111-E115 HydrophobicContact CD2-CG 4.46Å; Y111-E115 VanDerWaalsContact CD2-OE2 3.27Å; Y111-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y111-E115 HydrophobicContact CE2-CB 4.13Å; Y111-E115 HydrophobicContact CG-CB 4.44Å; Y111-E115 CarbonylContact O-C 3.58Å; Y111-E115 WeakPolarHBondContact O-CA 3.29Å; Y111-E115 PolarHBondContact O-N 3.42Å; Y111-D116 HydrophobicContact CD1-CB 4.29Å; Y111-D116 HydrophobicContact CE1-CB 3.92Å; Y111-D116 PolarHBondContact O-N 3.4Å
112E89.5Confident86.1Confident122 Ų12256.3 Ų56.357%0.5730%0.295SS*.Iπ-helixtrans-57.2-51.1-178.7-176.5-179-178.600111.6M108 T117M108-E112 WeakPolarHBondContact O-CB 3.43Å; M108-E112 PolarHBondContact O-N 3.11Å; E112-T117 WeakPolarHBondContact O-CG2 3.39Å; E112-T117 PolarHBondContact O-N 2.98Å
113L88.3Confident86.4Confident42 Ų4254.1 Ų54.122%0.2228%0.282CS..Iπ-helixtrans-79.6-32.9-174.5-69.2-174.6000114.2F104 H109 Y111 T117 W122F104-L113 HydrophobicContact CE1-CB 4.22Å; F104-L113 HydrophobicContact CE1-CD1 4.12Å; H109-L113 VanDerWaalsContact CD2-CD1 3.5Å; H109-L113 WeakPolarHBondContact CD2-CD1 3.49Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.38Å; H109-L113 PolarHBondContact O-N 3.37Å; Y111-L113 PolarHBondContact O-N 3.33Å; L113-T117 PolarHBondContact O-OG1 3.22Å; L113-W122 HydrophobicContact CB-CH2 4.31Å; L113-W122 HydrophobicContact CB-CZ2 3.86Å; L113-W122 HydrophobicContact CD1-CH2 4.22Å; L113-W122 HydrophobicContact CD1-CZ2 4.49Å; L113-W122 PolarHBondContact O-NE1 3.39Å
114V88Confident86.5Confident0 Ų049.6 Ų49.60%026%0.255CS..Iπ-helixtrans-111.3-39.2-167.8-174.40000113.1F104 F110 W122 S179 L192F104-V114 HydrophobicContact CE1-CG2 3.77Å; F104-V114 HydrophobicContact CZ-CG2 3.55Å; F110-V114 HydrophobicContact CD1-CB 4.47Å; F110-V114 HydrophobicContact CD2-CB 4.32Å; F110-V114 HydrophobicContact CD2-CG2 3.92Å; F110-V114 HydrophobicContact CE1-CB 4.26Å; F110-V114 HydrophobicContact CE1-CG1 4.31Å; F110-V114 HydrophobicContact CE2-CB 4.1Å; F110-V114 HydrophobicContact CE2-CG1 4.09Å; F110-V114 HydrophobicContact CE2-CG2 3.91Å; F110-V114 HydrophobicContact CG-CG2 4.43Å; F110-V114 HydrophobicContact CZ-CB 4.07Å; F110-V114 HydrophobicContact CZ-CG1 3.82Å; F110-V114 HydrophobicContact CZ-CG2 4.39Å; F110-V114 WeakPolarHBondContact O-CA 3.45Å; F110-V114 VanDerWaalsContact O-CB 3.22Å; F110-V114 WeakPolarHBondContact O-CB 3.36Å; F110-V114 PolarHBondContact O-N 3.04Å; V114-W122 HydrophobicContact CB-CG 4.42Å; V114-W122 HydrophobicContact CG1-CB 4.03Å; V114-W122 HydrophobicContact CG1-CG 4.09Å; V114-W122 HydrophobicContact CG2-CB 4.4Å; V114-W122 HydrophobicContact CG2-CD2 3.88Å; V114-W122 HydrophobicContact CG2-CE3 4.32Å; V114-W122 HydrophobicContact CG2-CG 3.93Å; V114-S179 WeakPolarHBondContact CG1-OG 3.34Å; V114-L192 HydrophobicContact CG1-CD2 4.31Å
115E86.4Confident86.6Confident36 Ų3649.7 Ų49.717%0.16826%0.255CS..Iπ-helixtrans-95.2-33.2-175.9-61.6-163.9151.500112.7F110 Y111 R169 V190 L192F110-E115 HydrophobicContact CD1-CG 4.29Å; F110-E115 HydrophobicContact CE1-CG 3.93Å; Y111-E115 HydrophobicContact CD2-CB 3.83Å; Y111-E115 HydrophobicContact CD2-CG 4.46Å; Y111-E115 VanDerWaalsContact CD2-OE2 3.27Å; Y111-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y111-E115 HydrophobicContact CE2-CB 4.13Å; Y111-E115 HydrophobicContact CG-CB 4.44Å; Y111-E115 CarbonylContact O-C 3.58Å; Y111-E115 WeakPolarHBondContact O-CA 3.29Å; Y111-E115 PolarHBondContact O-N 3.42Å; E115-R169 IonicContact OE1-CZ 3.1Å; E115-R169 IonicContact OE1-NH1 3Å; E115-R169 PolarHBondContact OE1-NH1 3.06Å; E115-R169 IonicContact OE1-NH2 3.65Å; E115-R169 PolarHBondContact OE1-NH2 3.37Å; E115-R169 IonicContact OE2-CZ 3.06Å; E115-R169 IonicContact OE2-NH2 2.73Å; E115-R169 PolarHBondContact OE2-NH2 2.91Å; E115-V190 WeakPolarHBondContact O-CG2 3.34Å; E115-L192 WeakPolarHBondContact OE1-CD1 3.46Å
116D84.4Confident86.9Confident91 Ų9145.4 Ų45.449%0.48723%0.225SC..Iπ-helixtrans-87.2-42.3-179.2-160.455.6000111.9Y111Y111-D116 HydrophobicContact CD1-CB 4.29Å; Y111-D116 HydrophobicContact CE1-CB 3.92Å; Y111-D116 PolarHBondContact O-N 3.4Å
117T74.5Confident87.1Confident36 Ų3646.6 Ų46.622%0.22123%0.228CC..  trans-74135174.7820000112.4E112 L113E112-T117 WeakPolarHBondContact O-CG2 3.39Å; E112-T117 PolarHBondContact O-N 2.98Å; L113-T117 PolarHBondContact O-OG1 3.22Å
118K68.6Low87.2Confident55 Ų5543.5 Ų43.524%0.23921%0.214CC..  trans-105.5-7.1-179.7-64.5170.3-161.7179.60112.7G120 P181 S186 K187 G188 V190K118-G120 PolarHBondContact O-N 2.82Å; K118-P181 WeakPolarHBondContact O-CG 3.47Å; K118-S186 WeakPolarHBondContact CD-O 3.43Å; K118-S186 PolarHBondContact NZ-O 3.27Å; K118-K187 VanDerWaalsContact NZ-C 3.33Å; K118-K187 VanDerWaalsContact NZ-CA 3.26Å; K118-G188 VanDerWaalsContact CE-O 3.26Å; K118-G188 WeakPolarHBondContact CE-O 3.32Å; K118-G188 PolarHBondContact NZ-O 3.48Å; K118-V190 HydrophobicContact CG-CG2 4.38Å
119D67.3Low87.1Confident115 Ų11540.2 Ų40.262%0.61520%0.196SC*.SBendtrans-86.416.5-165.5-52.3-30.2000112.9
120G79.6Confident86.7Confident8 Ų844.7 Ų44.78%0.08222%0.223CC..  trans-168.7153.8-177.700000114.5K118K118-G120 PolarHBondContact O-N 2.82Å
121I90.2Very high86.4Confident5 Ų552.1 Ų52.13%0.02625%0.251CS..  trans-87.1132.6167.2-57.8161.4000106.5I152 R153 M178 S179 V180 V213 A255 V258I121-I152 HydrophobicContact CB-CG1 4.15Å; I121-I152 HydrophobicContact CB-CG2 4.06Å; I121-I152 HydrophobicContact CD1-CD1 4.45Å; I121-I152 HydrophobicContact CD1-CG1 4.14Å; I121-I152 HydrophobicContact CG2-CG1 4.35Å; I121-I152 HydrophobicContact CG2-CG2 3.82Å; I121-I152 WeakPolarHBondContact O-CG2 3.31Å; I121-R153 PolarHBondContact O-N 2.8Å; I121-M178 HydrophobicContact CG2-CE 3.67Å; I121-M178 HydrophobicContact CG2-CG 4.29Å; I121-S179 WeakPolarHBondContact CG2-O 3.19Å; I121-V180 HydrophobicContact CG2-CG2 4.36Å; I121-V213 HydrophobicContact CD1-CB 4.44Å; I121-V213 HydrophobicContact CD1-CG1 3.65Å; I121-V213 HydrophobicContact CD1-CG2 3.77Å; I121-A255 HydrophobicContact CD1-CB 4.48Å; I121-V258 HydrophobicContact CD1-CB 4.23Å; I121-V258 HydrophobicContact CD1-CG2 3.71Å; I121-V258 HydrophobicContact CG1-CB 4.12Å; I121-V258 HydrophobicContact CG1-CG1 3.91Å; I121-V258 HydrophobicContact CG1-CG2 3.84Å
122W92.4Very high86.3Confident7 Ų753.8 Ų53.83%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-110.6139.8171.1-69.181.9000111.7T102 F104 L113 V114 V124 R153 M178 S179T102-W122 HydrophobicContact CG2-CH2 4.15Å; T102-W122 HydrophobicContact CG2-CZ3 4.16Å; T102-W122 VanDerWaalsContact OG1-CZ3 3.31Å; T102-W122 WeakPolarHBondContact OG1-CZ3 3.38Å; F104-W122 HydrophobicContact CE1-CZ3 4.48Å; F104-W122 AromaticContact CZ-CE3 3.94Å; F104-W122 HydrophobicContact CZ-CE3 3.94Å; F104-W122 HydrophobicContact CZ-CH2 4.43Å; F104-W122 AromaticContact CZ-CZ3 3.83Å; F104-W122 HydrophobicContact CZ-CZ3 3.83Å; L113-W122 HydrophobicContact CB-CH2 4.31Å; L113-W122 HydrophobicContact CB-CZ2 3.86Å; L113-W122 HydrophobicContact CD1-CH2 4.22Å; L113-W122 HydrophobicContact CD1-CZ2 4.49Å; L113-W122 PolarHBondContact O-NE1 3.39Å; V114-W122 HydrophobicContact CB-CG 4.42Å; V114-W122 HydrophobicContact CG1-CB 4.03Å; V114-W122 HydrophobicContact CG1-CG 4.09Å; V114-W122 HydrophobicContact CG2-CB 4.4Å; V114-W122 HydrophobicContact CG2-CD2 3.88Å; V114-W122 HydrophobicContact CG2-CE3 4.32Å; V114-W122 HydrophobicContact CG2-CG 3.93Å; W122-V124 HydrophobicContact CB-CG2 4.12Å; W122-R153 CarbonylContact C-O 3.48Å; W122-R153 WeakPolarHBondContact CA-O 3.22Å; W122-R153 HydrophobicContact CD2-CB 3.55Å; W122-R153 HydrophobicContact CE3-CB 3.46Å; W122-R153 VanDerWaalsContact CE3-CB 3.46Å; W122-R153 HydrophobicContact CG-CB 4.21Å; W122-R153 HydrophobicContact CH2-CB 3.93Å; W122-R153 HydrophobicContact CH2-CG 4.48Å; W122-R153 HydrophobicContact CZ2-CB 4.03Å; W122-R153 HydrophobicContact CZ2-CG 4.34Å; W122-R153 HydrophobicContact CZ3-CB 3.63Å; W122-M178 CarbonylContact O-C 3.57Å; W122-M178 VanDerWaalsContact O-CA 3.28Å; W122-M178 WeakPolarHBondContact O-CA 3.46Å; W122-S179 VanDerWaalsContact CB-OG 3.27Å; W122-S179 WeakPolarHBondContact CB-OG 3.44Å; W122-S179 PolarHBondContact N-O 2.76Å; W122-S179 PolarHBondContact N-OG 2.67Å; W122-S179 PolarHBondContact O-N 3.4Å
123L93.5Very high86.2Confident0 Ų049.7 Ų49.70%026%0.255CS..EExtended strand (participates in β ladder)trans-113.8109.8166.5-170.666.5000108.9W140 M143 V147 I152 R153 T154 G155 L176 M178 W208 M209L123-W140 HydrophobicContact CD2-CH2 4.42Å; L123-W140 HydrophobicContact CD2-CZ3 4.28Å; L123-W140 HydrophobicContact CG-CH2 4.28Å; L123-W140 HydrophobicContact CG-CZ3 4.46Å; L123-M143 HydrophobicContact CD2-CG 3.84Å; L123-M143 HydrophobicContact CD2-SD 4.17Å; L123-V147 HydrophobicContact CD2-CG1 4.32Å; L123-V147 HydrophobicContact CD2-CG2 4.17Å; L123-I152 HydrophobicContact CB-CG2 4.39Å; L123-R153 PolarHBondContact N-O 3.39Å; L123-T154 HydrophobicContact CB-CG2 4.4Å; L123-T154 VanDerWaalsContact O-CA 3.28Å; L123-T154 WeakPolarHBondContact O-CA 3.5Å; L123-G155 PolarHBondContact O-N 2.89Å; L123-L176 HydrophobicContact CD1-CD1 4.04Å; L123-L176 HydrophobicContact CD1-CD2 3.71Å; L123-L176 HydrophobicContact CD1-CG 3.72Å; L123-L176 HydrophobicContact CD2-CD2 4.41Å; L123-L176 HydrophobicContact CG-CD1 4.01Å; L123-L176 HydrophobicContact CG-CD2 4.29Å; L123-L176 HydrophobicContact CG-CG 4.26Å; L123-M178 HydrophobicContact CD1-CB 4.36Å; L123-W208 HydrophobicContact CD1-CZ3 4.44Å; L123-M209 HydrophobicContact CD2-SD 4.4Å
124V93.8Very high86.2Confident2 Ų249.9 Ų49.91%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-114.9121.8-173.6-175.80000110.8F104 F110 W122 V126 G155 F157 I177F104-V124 HydrophobicContact CD2-CG1 4Å; F104-V124 HydrophobicContact CE2-CB 4.34Å; F104-V124 HydrophobicContact CE2-CG1 3.7Å; F104-V124 HydrophobicContact CE2-CG2 3.69Å; F104-V124 HydrophobicContact CZ-CG2 4.13Å; F110-V124 HydrophobicContact CE2-CB 4.4Å; F110-V124 HydrophobicContact CE2-CG1 4.15Å; F110-V124 HydrophobicContact CE2-CG2 4.08Å; W122-V124 HydrophobicContact CB-CG2 4.12Å; V124-V126 HydrophobicContact CG1-CG2 4.34Å; V124-G155 CarbonylContact C-O 3.18Å; V124-G155 VanDerWaalsContact CA-O 3.25Å; V124-G155 WeakPolarHBondContact CA-O 3.46Å; V124-F157 HydrophobicContact CG1-CB 4.01Å; V124-I177 PolarHBondContact N-O 3.22Å; V124-I177 PolarHBondContact O-N 3.33Å
125Q93.8Very high86.3Confident5 Ų550 Ų502%0.02326%0.256CS..EExtended strand (participates in β ladder)trans-86.4112.1170.5-177.2171.412.200109.6L135 W140 G155 T156 F157 L176Q125-L135 PolarHBondContact NE2-O 3.03Å; Q125-W140 HydrophobicContact CB-CD2 4.4Å; Q125-W140 HydrophobicContact CB-CE3 4.22Å; Q125-W140 HydrophobicContact CB-CH2 3.84Å; Q125-W140 HydrophobicContact CB-CZ2 4.03Å; Q125-W140 HydrophobicContact CB-CZ3 3.95Å; Q125-W140 VanDerWaalsContact OE1-CG 3.28Å; Q125-G155 PolarHBondContact N-O 2.95Å; Q125-T156 HydrophobicContact CB-CG2 4.39Å; Q125-T156 CarbonylContact O-C 3.42Å; Q125-T156 WeakPolarHBondContact O-CA 3.25Å; Q125-F157 PolarHBondContact O-N 3.16Å; Q125-L176 HydrophobicContact CB-CD1 4.12Å
126V93.8Very high86.5Confident0 Ų051.4 Ų51.40%027%0.27CS..EExtended strand (participates in β ladder)trans-92.3122.6174.8-176.40000109.2V124 F157 W171 S174 T175 I177V124-V126 HydrophobicContact CG1-CG2 4.34Å; V126-F157 CarbonylContact C-O 3.53Å; V126-F157 WeakPolarHBondContact CA-O 3.43Å; V126-F157 HydrophobicContact CG1-CD1 4.45Å; V126-F157 HydrophobicContact CG2-CB 4.25Å; V126-W171 HydrophobicContact CB-CE3 4.5Å; V126-W171 HydrophobicContact CG1-CB 4.01Å; V126-W171 HydrophobicContact CG1-CD2 4.1Å; V126-W171 HydrophobicContact CG1-CE3 3.74Å; V126-W171 HydrophobicContact CG1-CG 4.23Å; V126-W171 HydrophobicContact CG2-CD2 4.22Å; V126-W171 HydrophobicContact CG2-CE3 3.96Å; V126-W171 HydrophobicContact CG2-CZ3 4.13Å; V126-S174 CarbonylContact O-C 3.57Å; V126-S174 VanDerWaalsContact O-CA 3.22Å; V126-S174 WeakPolarHBondContact O-CA 3.46Å; V126-T175 PolarHBondContact N-O 3.36Å; V126-T175 PolarHBondContact O-N 3.4Å; V126-I177 HydrophobicContact CB-CD1 4.48Å; V126-I177 HydrophobicContact CG2-CD1 3.42Å; V126-I177 VanDerWaalsContact CG2-CD1 3.42Å; V126-I177 HydrophobicContact CG2-CG1 3.91Å
127I93.5Very high86.6Confident39 Ų3956.6 Ų56.620%0.229%0.288CS..EExtended strand (participates in β ladder)trans-101.1113.6177.3-53.8174.9000106.9R131 A133 F157 C159I127-R131 WeakPolarHBondContact CG2-O 3.47Å; I127-A133 HydrophobicContact CD1-CB 3.88Å; I127-A133 HydrophobicContact CG1-CB 3.82Å; I127-F157 PolarHBondContact N-O 3.08Å; I127-C159 VanDerWaalsContact O-CB 3.23Å; I127-C159 WeakPolarHBondContact O-CB 3.47Å; I127-C159 PolarHBondContact O-N 2.87Å; I127-C159 PolarHBondContact O-SG 2.96Å; I127-C159 VanDerWaalsContact O-SG 3.39Å
128A91.3Very high87.2Confident3 Ų358 Ų583%0.02530%0.303CS..  trans-69.5156.7178.800000111.1D130 R131 S174A128-D130 PolarHBondContact O-N 2.6Å; A128-R131 HydrophobicContact CB-CB 4.22Å; A128-R131 HydrophobicContact CB-CG 4.43Å; A128-R131 PolarHBondContact O-N 3.47Å; A128-S174 PolarHBondContact N-OG 3.19Å; A128-S174 VanDerWaalsContact N-OG 3.1Å
129Q87.3Confident88.2Confident97 Ų9758.4 Ų58.445%0.45331%0.308SS..THydrogen-bonded Turntrans-58.6132.2178.2-171.4176.6-8.900110.4R131Q129-R131 PolarHBondContact O-N 3.27Å; Q129-R131 VanDerWaalsContact O-N 3.15Å
130D83.7Confident89.3Confident157 Ų15753.9 Ų53.984%0.8428%0.283SS*.THydrogen-bonded Turntrans56.924.5179.4-49.7-41.2000114.8A128A128-D130 PolarHBondContact O-N 2.6Å
131R85.6Confident89.7Confident156 Ų15655.2 Ų55.259%0.58930%0.296SS*.SBendtrans-125.9151.8176.4-66.9-168.7-178.9-133.60.4111.8I127 A128 Q129I127-R131 WeakPolarHBondContact CG2-O 3.47Å; A128-R131 HydrophobicContact CB-CB 4.22Å; A128-R131 HydrophobicContact CB-CG 4.43Å; A128-R131 PolarHBondContact O-N 3.47Å; Q129-R131 PolarHBondContact O-N 3.27Å; Q129-R131 VanDerWaalsContact O-N 3.15Å
132D86.8Confident89.5Confident154 Ų15461.1 Ų61.182%0.82432%0.322SS*.  trans-68.6155171.2-66.6-42.9000111.7S174D132-S174 WeakPolarHBondContact O-CB 3.5Å; D132-S174 PolarHBondContact O-OG 3.19Å
133A88.1Confident89.4Confident36 Ų3660.8 Ų60.830%0.29832%0.321SS..  trans-67.4144.3177.400000110.4I127 L135I127-A133 HydrophobicContact CD1-CB 3.88Å; I127-A133 HydrophobicContact CG1-CB 3.82Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.08Å
134L88.4Confident89.2Confident46 Ų4661.1 Ų61.124%0.24132%0.322CS..SBendtrans-57.4-43.8-178.6-175.870.2000112.7L176 Y195 I200L134-L176 HydrophobicContact CD2-CB 4.09Å; L134-Y195 HydrophobicContact CD2-CD1 4.44Å; L134-I200 HydrophobicContact CD1-CD1 3.79Å; L134-I200 HydrophobicContact CD1-CG1 4.16Å; L134-I200 HydrophobicContact CD1-CG2 4.33Å; L134-I200 HydrophobicContact CG-CG2 4.02Å; L134-I200 WeakPolarHBondContact O-CG2 3.4Å
135L89.8Confident88.7Confident3 Ų364.1 Ų64.12%0.01634%0.336CS..SBendtrans-102.6135171.1-69.2168.4000109.4Q125 A133 N139 W140 I200 I205Q125-L135 PolarHBondContact NE2-O 3.03Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.08Å; L135-N139 HydrophobicContact CB-CB 4.5Å; L135-N139 HydrophobicContact CD2-CB 4.16Å; L135-W140 HydrophobicContact CB-CB 4.31Å; L135-W140 HydrophobicContact CD1-CE3 3.79Å; L135-W140 HydrophobicContact CD1-CZ3 4.28Å; L135-I200 HydrophobicContact CD2-CG2 3.74Å; L135-I200 WeakPolarHBondContact CD2-O 3.3Å; L135-I200 HydrophobicContact CG-CG2 4.43Å; L135-I205 HydrophobicContact CD1-CD1 3.95Å; L135-I205 HydrophobicContact CD2-CD1 3.89Å; L135-I205 HydrophobicContact CG-CD1 4.21Å
136S89.9Confident88.3Confident65 Ų6565 Ų6546%0.45534%0.34SS..  trans-60.5155.7170.168.80000110.4A138 N139 W140S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.12Å; S136-N139 PolarHBondContact O-N 2.89Å; S136-N139 PolarHBondContact OG-N 2.86Å; S136-N139 PolarHBondContact OG-ND2 2.91Å; S136-W140 WeakPolarHBondContact O-CB 3.16Å; S136-W140 PolarHBondContact O-N 2.92Å
137K87.3Confident88Confident199 Ų19965 Ų6587%0.86534%0.34SS*.Hα-helixtrans-52.4-38.9-179.7-67.6-176.8179-179.50113.1G141K137-G141 PolarHBondContact O-N 3.21Å
138A87.3Confident87.7Confident66 Ų6664.8 Ų64.855%0.54534%0.342SS..Hα-helixtrans-68.3-43.1177.700000112.7S136 G141 K142S136-A138 PolarHBondContact O-N 2.99Å; S136-A138 VanDerWaalsContact O-N 3.12Å; A138-G141 PolarHBondContact O-N 2.83Å; A138-K142 WeakPolarHBondContact O-CG 3.47Å; A138-K142 PolarHBondContact O-N 2.87Å; A138-K142 VanDerWaalsContact O-N 3.11Å
139N89.5Confident87.3Confident63 Ų6367.1 Ų67.134%0.33735%0.353SS..Hα-helixtrans-73.2-31.7178.4-70.2-12.3000111.8L135 S136 M143 T202L135-N139 HydrophobicContact CB-CB 4.5Å; L135-N139 HydrophobicContact CD2-CB 4.16Å; S136-N139 PolarHBondContact O-N 2.89Å; S136-N139 PolarHBondContact OG-N 2.86Å; S136-N139 PolarHBondContact OG-ND2 2.91Å; N139-M143 WeakPolarHBondContact O-CB 2.74Å; N139-M143 PolarHBondContact O-N 2.77Å; N139-T202 HydrophobicContact CB-CG2 4.42Å
140W90.6Very high87.2Confident21 Ų2162.7 Ų62.78%0.0833%0.332CS..Hα-helixtrans-64.9-46.2170.6-177-115.7000111.1S101 L123 Q125 L135 S136 K142 M143 V144 G155 T156 L176S101-W140 PolarHBondContact OG-NE1 2.87Å; L123-W140 HydrophobicContact CD2-CH2 4.42Å; L123-W140 HydrophobicContact CD2-CZ3 4.28Å; L123-W140 HydrophobicContact CG-CH2 4.28Å; L123-W140 HydrophobicContact CG-CZ3 4.46Å; Q125-W140 HydrophobicContact CB-CD2 4.4Å; Q125-W140 HydrophobicContact CB-CE3 4.22Å; Q125-W140 HydrophobicContact CB-CH2 3.84Å; Q125-W140 HydrophobicContact CB-CZ2 4.03Å; Q125-W140 HydrophobicContact CB-CZ3 3.95Å; Q125-W140 VanDerWaalsContact OE1-CG 3.28Å; L135-W140 HydrophobicContact CB-CB 4.31Å; L135-W140 HydrophobicContact CD1-CE3 3.79Å; L135-W140 HydrophobicContact CD1-CZ3 4.28Å; S136-W140 WeakPolarHBondContact O-CB 3.16Å; S136-W140 PolarHBondContact O-N 2.92Å; W140-K142 VanDerWaalsContact C-N 3.32Å; W140-K142 PolarHBondContact O-N 2.8Å; W140-M143 HydrophobicContact CE3-CB 4.28Å; W140-M143 HydrophobicContact CE3-CG 4.35Å; W140-M143 HydrophobicContact CZ3-CG 4.23Å; W140-M143 CarbonylContact O-C 3.6Å; W140-M143 WeakPolarHBondContact O-CA 3.43Å; W140-M143 WeakPolarHBondContact O-CB 3.41Å; W140-M143 PolarHBondContact O-N 3.31Å; W140-V144 HydrophobicContact CD2-CG2 4Å; W140-V144 HydrophobicContact CG-CG2 4.23Å; W140-V144 HydrophobicContact CZ2-CG2 3.99Å; W140-V144 VanDerWaalsContact O-CG2 3.29Å; W140-V144 WeakPolarHBondContact O-CG2 3.12Å; W140-V144 PolarHBondContact O-N 3.49Å; W140-G155 WeakPolarHBondContact CZ2-O 3.41Å; W140-T156 HydrophobicContact CZ2-CG2 4.25Å; W140-L176 HydrophobicContact CH2-CD1 4.1Å; W140-L176 HydrophobicContact CZ3-CD1 3.64Å
141G87.9Confident87.1Confident36 Ų3657.7 Ų57.737%0.37132%0.317SS..Hα-helixtrans-55.5-46174.400000112.6K137 A138 M143 V144 Q145K137-G141 PolarHBondContact O-N 3.21Å; A138-G141 PolarHBondContact O-N 2.83Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 2.8Å; G141-V144 PolarHBondContact O-N 3.11Å; G141-Q145 WeakPolarHBondContact O-CB 3.25Å; G141-Q145 PolarHBondContact O-N 3.29Å
142K86.3Confident87.3Confident129 Ų12950.6 Ų50.656%0.56129%0.291SS*.Hα-helixtrans-61.2-38.6173.8-69.9176.8-178179.50112.9A138 W140 K146A138-K142 WeakPolarHBondContact O-CG 3.47Å; A138-K142 PolarHBondContact O-N 2.87Å; A138-K142 VanDerWaalsContact O-N 3.11Å; W140-K142 VanDerWaalsContact C-N 3.32Å; W140-K142 PolarHBondContact O-N 2.8Å; K142-K146 WeakPolarHBondContact O-CB 3.41Å; K142-K146 PolarHBondContact O-N 3.19Å; K142-K146 VanDerWaalsContact O-N 3.08Å
143M89.1Confident87.5Confident0 Ų048.4 Ų48.40%027%0.271CS..Hα-helixtrans-66.6-47.3176.4-178.562.268.900111.1L123 N139 W140 G141 Q145 K146 V147 T202 I205L123-M143 HydrophobicContact CD2-CG 3.84Å; L123-M143 HydrophobicContact CD2-SD 4.17Å; N139-M143 WeakPolarHBondContact O-CB 2.74Å; N139-M143 PolarHBondContact O-N 2.77Å; W140-M143 HydrophobicContact CE3-CB 4.28Å; W140-M143 HydrophobicContact CE3-CG 4.35Å; W140-M143 HydrophobicContact CZ3-CG 4.23Å; W140-M143 CarbonylContact O-C 3.6Å; W140-M143 WeakPolarHBondContact O-CA 3.43Å; W140-M143 WeakPolarHBondContact O-CB 3.41Å; W140-M143 PolarHBondContact O-N 3.31Å; G141-M143 VanDerWaalsContact C-N 3.32Å; G141-M143 PolarHBondContact O-N 2.8Å; M143-Q145 VanDerWaalsContact C-N 3.33Å; M143-Q145 PolarHBondContact O-N 3.12Å; M143-K146 PolarHBondContact O-N 3.5Å; M143-K146 VanDerWaalsContact O-N 3.16Å; M143-V147 HydrophobicContact CG-CG2 4.1Å; M143-V147 VanDerWaalsContact O-CB 3.25Å; M143-V147 WeakPolarHBondContact O-CB 3.4Å; M143-V147 WeakPolarHBondContact O-CG2 3.44Å; M143-V147 PolarHBondContact O-N 3.26Å; M143-V147 HydrophobicContact SD-CG2 3.5Å; M143-V147 WeakPolarHBondContact SD-CG2 3.37Å; M143-T202 HydrophobicContact CE-CG2 4.07Å; M143-T202 WeakPolarHBondContact CE-O 3.46Å; M143-I205 HydrophobicContact CE-CB 3.65Å; M143-I205 HydrophobicContact CE-CD1 4.35Å; M143-I205 HydrophobicContact CE-CG2 3.51Å; M143-I205 HydrophobicContact SD-CG2 4.33Å
144V89.1Confident87.7Confident6 Ų647.1 Ų47.14%0.03626%0.26CS..Hα-helixtrans-55.7-51177.8171.10000109.9E99 W140 G141 K146 V147 S148 T154E99-V144 HydrophobicContact CB-CG1 4.12Å; W140-V144 HydrophobicContact CD2-CG2 4Å; W140-V144 HydrophobicContact CG-CG2 4.23Å; W140-V144 HydrophobicContact CZ2-CG2 3.99Å; W140-V144 VanDerWaalsContact O-CG2 3.29Å; W140-V144 WeakPolarHBondContact O-CG2 3.12Å; W140-V144 PolarHBondContact O-N 3.49Å; G141-V144 PolarHBondContact O-N 3.11Å; V144-K146 VanDerWaalsContact C-N 3.31Å; V144-K146 PolarHBondContact O-N 2.86Å; V144-V147 PolarHBondContact O-N 3.04Å; V144-S148 VanDerWaalsContact O-CB 3.23Å; V144-S148 WeakPolarHBondContact O-CB 3.23Å; V144-S148 PolarHBondContact O-N 3.35Å; V144-S148 PolarHBondContact O-OG 3.39Å; V144-S148 VanDerWaalsContact O-OG 3.06Å; V144-T154 HydrophobicContact CB-CG2 4.48Å; V144-T154 HydrophobicContact CG1-CG2 4.47Å; V144-T154 HydrophobicContact CG2-CG2 4.14Å
145Q84.3Confident87.9Confident65 Ų6545 Ų4530%0.30425%0.249SC..Hα-helixtrans-59.1-38.4177.7-175.1-171.5-10.300113.2Q93 E99 G141 M143 S148 Q149Q93-Q145 HydrophobicContact CB-CG 4.15Å; Q93-Q145 HydrophobicContact CG-CG 4.06Å; E99-Q145 WeakPolarHBondContact OE2-CA 3.21Å; G141-Q145 WeakPolarHBondContact O-CB 3.25Å; G141-Q145 PolarHBondContact O-N 3.29Å; M143-Q145 VanDerWaalsContact C-N 3.33Å; M143-Q145 PolarHBondContact O-N 3.12Å; Q145-S148 PolarHBondContact O-OG 3.09Å; Q145-S148 VanDerWaalsContact O-OG 3.07Å; Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-NE2 2.85Å
146K85.1Confident88.1Confident23 Ų2346 Ų4610%0.126%0.255CS..Hα-helixtrans-73.7-36.3179.5-175.5164.1-180154.40112.1E53 K142 M143 V144 F150 E203 F206E53-K146 IonicContact OE1-NZ 2.75Å; E53-K146 PolarHBondContact OE1-NZ 2.91Å; K142-K146 WeakPolarHBondContact O-CB 3.41Å; K142-K146 PolarHBondContact O-N 3.19Å; K142-K146 VanDerWaalsContact O-N 3.08Å; M143-K146 PolarHBondContact O-N 3.5Å; M143-K146 VanDerWaalsContact O-N 3.16Å; V144-K146 VanDerWaalsContact C-N 3.31Å; V144-K146 PolarHBondContact O-N 2.86Å; K146-F150 VanDerWaalsContact O-CD2 3.31Å; K146-F150 WeakPolarHBondContact O-CD2 3.44Å; K146-F150 WeakPolarHBondContact O-CE2 3.46Å; K146-E203 IonicContact NZ-OE1 3.3Å; K146-E203 PolarHBondContact NZ-OE1 3.44Å; K146-E203 IonicContact NZ-OE2 3.88Å; K146-E203 PolarHBondContact NZ-OE2 3.19Å; K146-F206 HydrophobicContact CD-CD2 4.23Å; K146-F206 HydrophobicContact CD-CG 4.39Å; K146-F206 HydrophobicContact CG-CD2 4.11Å; K146-F206 HydrophobicContact CG-CE2 4.13Å
147V87.7Confident88.2Confident0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-86.7-32.7-171.4171.20000111.5L123 M143 V144 Q149 F150 I152 T154 F206 M209L123-V147 HydrophobicContact CD2-CG1 4.32Å; L123-V147 HydrophobicContact CD2-CG2 4.17Å; M143-V147 HydrophobicContact CG-CG2 4.1Å; M143-V147 VanDerWaalsContact O-CB 3.25Å; M143-V147 WeakPolarHBondContact O-CB 3.4Å; M143-V147 WeakPolarHBondContact O-CG2 3.44Å; M143-V147 PolarHBondContact O-N 3.26Å; M143-V147 HydrophobicContact SD-CG2 3.5Å; M143-V147 WeakPolarHBondContact SD-CG2 3.37Å; V144-V147 PolarHBondContact O-N 3.04Å; V147-Q149 VanDerWaalsContact C-N 3.28Å; V147-Q149 PolarHBondContact O-N 3.43Å; V147-F150 PolarHBondContact O-N 3.5Å; V147-F150 VanDerWaalsContact O-N 3.09Å; V147-I152 HydrophobicContact CG1-CB 3.33Å; V147-I152 HydrophobicContact CG1-CD1 4.02Å; V147-I152 HydrophobicContact CG1-CG1 4.24Å; V147-I152 HydrophobicContact CG1-CG2 3.23Å; V147-I152 PolarHBondContact O-N 2.99Å; V147-T154 HydrophobicContact CB-CG2 4.41Å; V147-T154 HydrophobicContact CG1-CG2 4.06Å; V147-F206 HydrophobicContact CG2-CD2 4.25Å; V147-M209 HydrophobicContact CG1-CE 4.48Å; V147-M209 HydrophobicContact CG1-SD 4.03Å; V147-M209 HydrophobicContact CG2-CE 4.03Å; V147-M209 HydrophobicContact CG2-SD 4.04Å
148S86.1Confident88.5Confident36 Ų3636.3 Ų36.325%0.25221%0.208SC..Hα-helixtrans-60.7-3417661.10000113.1E99 V144 Q145 F150 G151E99-S148 PolarHBondContact OE1-OG 3.25Å; E99-S148 WeakPolarHBondContact OE2-CB 3.46Å; E99-S148 PolarHBondContact OE2-OG 3.15Å; V144-S148 VanDerWaalsContact O-CB 3.23Å; V144-S148 WeakPolarHBondContact O-CB 3.23Å; V144-S148 PolarHBondContact O-N 3.35Å; V144-S148 PolarHBondContact O-OG 3.39Å; V144-S148 VanDerWaalsContact O-OG 3.06Å; Q145-S148 PolarHBondContact O-OG 3.09Å; Q145-S148 VanDerWaalsContact O-OG 3.07Å; S148-F150 PolarHBondContact O-N 3.11Å; S148-G151 PolarHBondContact O-N 3.36Å
149Q82.9Confident88.7Confident51 Ų5133.3 Ų33.324%0.23818%0.182CC..THydrogen-bonded Turntrans-55.9-24.8174.8-67.6178.322.500113Q93 Q145 V147Q93-Q149 VanDerWaalsContact OE1-NE2 3.1Å; Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-NE2 2.85Å; V147-Q149 VanDerWaalsContact C-N 3.28Å; V147-Q149 PolarHBondContact O-N 3.43Å
150F85.5Confident88.7Confident4 Ų434.2 Ų34.22%0.01819%0.194CC..THydrogen-bonded Turntrans-96.79.1177.9-56.1-72.7000113.9E53 G56 K146 V147 S148 I152 F206 A251 F252 A255 L312E53-F150 WeakPolarHBondContact O-CZ 3.48Å; G56-F150 VanDerWaalsContact CA-CE1 3.5Å; K146-F150 VanDerWaalsContact O-CD2 3.31Å; K146-F150 WeakPolarHBondContact O-CD2 3.44Å; K146-F150 WeakPolarHBondContact O-CE2 3.46Å; V147-F150 PolarHBondContact O-N 3.5Å; V147-F150 VanDerWaalsContact O-N 3.09Å; S148-F150 PolarHBondContact O-N 3.11Å; F150-I152 HydrophobicContact CB-CD1 4.02Å; F150-I152 HydrophobicContact CB-CG1 4.08Å; F150-I152 PolarHBondContact O-N 2.92Å; F150-F206 AromaticContact CD2-CE2 3.95Å; F150-F206 HydrophobicContact CD2-CE2 3.95Å; F150-F206 HydrophobicContact CD2-CZ 4.17Å; F150-F206 AromaticContact CE2-CE2 3.52Å; F150-F206 HydrophobicContact CE2-CE2 3.52Å; F150-F206 AromaticContact CE2-CZ 3.43Å; F150-F206 HydrophobicContact CE2-CZ 3.43Å; F150-F206 VanDerWaalsContact CE2-CZ 3.43Å; F150-F206 HydrophobicContact CZ-CE2 4.39Å; F150-F206 AromaticContact CZ-CZ 3.86Å; F150-F206 HydrophobicContact CZ-CZ 3.86Å; F150-A251 HydrophobicContact CD1-CB 4.18Å; F150-A251 HydrophobicContact CE1-CB 4.09Å; F150-A251 HydrophobicContact CZ-CB 4.36Å; F150-F252 HydrophobicContact CD1-CB 3.92Å; F150-F252 HydrophobicContact CE1-CB 4.19Å; F150-A255 HydrophobicContact CB-CB 4.31Å; F150-A255 VanDerWaalsContact O-CB 3.32Å; F150-A255 WeakPolarHBondContact O-CB 3.29Å; F150-L312 HydrophobicContact CB-CD1 4.4Å; F150-L312 WeakPolarHBondContact O-CD1 3.15Å
151G82.9Confident88.6Confident52 Ų5236.3 Ų36.354%0.53621%0.212SC..THydrogen-bonded Turntrans68.218.1-174.400000113.5S148S148-G151 PolarHBondContact O-N 3.36Å
152I89.1Confident88.7Confident8 Ų836.3 Ų36.34%0.04120%0.203CC..  trans-85.1125176.3-60.1170.6000107.8I121 L123 V147 F150 M209I121-I152 HydrophobicContact CB-CG1 4.15Å; I121-I152 HydrophobicContact CB-CG2 4.06Å; I121-I152 HydrophobicContact CD1-CD1 4.45Å; I121-I152 HydrophobicContact CD1-CG1 4.14Å; I121-I152 HydrophobicContact CG2-CG1 4.35Å; I121-I152 HydrophobicContact CG2-CG2 3.82Å; I121-I152 WeakPolarHBondContact O-CG2 3.31Å; L123-I152 HydrophobicContact CB-CG2 4.39Å; V147-I152 HydrophobicContact CG1-CB 3.33Å; V147-I152 HydrophobicContact CG1-CD1 4.02Å; V147-I152 HydrophobicContact CG1-CG1 4.24Å; V147-I152 HydrophobicContact CG1-CG2 3.23Å; V147-I152 PolarHBondContact O-N 2.99Å; F150-I152 HydrophobicContact CB-CD1 4.02Å; F150-I152 HydrophobicContact CB-CG1 4.08Å; F150-I152 PolarHBondContact O-N 2.92Å; I152-M209 HydrophobicContact CD1-CE 3.54Å; I152-M209 HydrophobicContact CD1-SD 3.75Å; I152-M209 HydrophobicContact CG2-SD 4.49Å
153R90.8Very high88.8Confident107 Ų10732 Ų3240%0.40419%0.189SC..EExtended strand (participates in β ladder)trans-78.9144.4-178-61.6179-176.3172.11.1109.5I121 W122 L123I121-R153 PolarHBondContact O-N 2.8Å; W122-R153 CarbonylContact C-O 3.48Å; W122-R153 WeakPolarHBondContact CA-O 3.22Å; W122-R153 HydrophobicContact CD2-CB 3.55Å; W122-R153 HydrophobicContact CE3-CB 3.46Å; W122-R153 VanDerWaalsContact CE3-CB 3.46Å; W122-R153 HydrophobicContact CG-CB 4.21Å; W122-R153 HydrophobicContact CH2-CB 3.93Å; W122-R153 HydrophobicContact CH2-CG 4.48Å; W122-R153 HydrophobicContact CZ2-CB 4.03Å; W122-R153 HydrophobicContact CZ2-CG 4.34Å; W122-R153 HydrophobicContact CZ3-CB 3.63Å; L123-R153 PolarHBondContact N-O 3.39Å
154T92.7Very high88.9Confident10 Ų1041.9 Ų41.96%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-121.514818062.10000110.7T102 L123 V144 V147T102-T154 PolarHBondContact N-O 3.21Å; T102-T154 PolarHBondContact OG1-O 3.02Å; L123-T154 HydrophobicContact CB-CG2 4.4Å; L123-T154 VanDerWaalsContact O-CA 3.28Å; L123-T154 WeakPolarHBondContact O-CA 3.5Å; V144-T154 HydrophobicContact CB-CG2 4.48Å; V144-T154 HydrophobicContact CG1-CG2 4.47Å; V144-T154 HydrophobicContact CG2-CG2 4.14Å; V147-T154 HydrophobicContact CB-CG2 4.41Å; V147-T154 HydrophobicContact CG1-CG2 4.06Å
155G92.7Very high88.9Confident0 Ų041.7 Ų41.70%023%0.225CC..EExtended strand (participates in β ladder)trans-156.2165.9174.500000114T102 L123 V124 Q125 W140T102-G155 CarbonylContact O-C 3.54Å; T102-G155 WeakPolarHBondContact O-CA 3.5Å; L123-G155 PolarHBondContact O-N 2.89Å; V124-G155 CarbonylContact C-O 3.18Å; V124-G155 VanDerWaalsContact CA-O 3.25Å; V124-G155 WeakPolarHBondContact CA-O 3.46Å; Q125-G155 PolarHBondContact N-O 2.95Å; W140-G155 WeakPolarHBondContact CZ2-O 3.41Å
156T92.8Very high89.3Confident26 Ų2638.8 Ų38.816%0.1621%0.212CC..EExtended strand (participates in β ladder)trans-122.9126.7177.856.20000109.2T102 T103 F104 Q125 W140T102-T156 PolarHBondContact O-N 3.34Å; T103-T156 PolarHBondContact OG1-OG1 2.86Å; F104-T156 PolarHBondContact N-O 3.34Å; Q125-T156 HydrophobicContact CB-CG2 4.39Å; Q125-T156 CarbonylContact O-C 3.42Å; Q125-T156 WeakPolarHBondContact O-CA 3.25Å; W140-T156 HydrophobicContact CZ2-CG2 4.25Å
157F93.1Very high89.6Confident0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-111.7119.7174.7-168.9-77.5000108.7F104 F110 V124 Q125 V126 I127 D162 Y165 C166 W171F104-F157 HydrophobicContact CB-CB 4.42Å; F104-F157 HydrophobicContact CB-CD2 3.5Å; F104-F157 HydrophobicContact CB-CE2 4.15Å; F104-F157 HydrophobicContact CB-CG 4.34Å; F104-F157 HydrophobicContact CD2-CB 4.18Å; F104-F157 HydrophobicContact CD2-CD2 4.35Å; F104-F157 HydrophobicContact CG-CD2 4.17Å; F110-F157 HydrophobicContact CB-CD2 4.28Å; F110-F157 HydrophobicContact CB-CE2 4.13Å; F110-F157 HydrophobicContact CD2-CD2 4.12Å; F110-F157 HydrophobicContact CG-CD2 4.44Å; V124-F157 HydrophobicContact CG1-CB 4.01Å; Q125-F157 PolarHBondContact O-N 3.16Å; V126-F157 CarbonylContact C-O 3.53Å; V126-F157 WeakPolarHBondContact CA-O 3.43Å; V126-F157 HydrophobicContact CG1-CD1 4.45Å; V126-F157 HydrophobicContact CG2-CB 4.25Å; I127-F157 PolarHBondContact N-O 3.08Å; F157-D162 HydrophobicContact CZ-CB 4.3Å; F157-Y165 HydrophobicContact CE1-CD1 4.3Å; F157-Y165 HydrophobicContact CE2-CD1 4.21Å; F157-Y165 HydrophobicContact CE2-CE1 4.4Å; F157-Y165 AromaticContact CZ-CD1 3.71Å; F157-Y165 HydrophobicContact CZ-CD1 3.71Å; F157-Y165 HydrophobicContact CZ-CE1 4.32Å; F157-C166 VanDerWaalsContact CE1-SG 3.52Å; F157-W171 HydrophobicContact CD1-CZ3 4.4Å
158N92.9Very high89.8Confident60 Ų6052.1 Ų52.132%0.32127%0.266SS..EExtended strand (participates in β ladder)trans-99.5116.3177.5-169.8-11.8000110.2S160 S161N158-S160 PolarHBondContact ND2-OG 3.42Å; N158-S160 PolarHBondContact O-N 2.86Å; N158-S160 WeakPolarHBondContact OD1-CB 3.32Å; N158-S160 PolarHBondContact OD1-N 3.22Å; N158-S160 PolarHBondContact OD1-OG 3.31Å; N158-S160 VanDerWaalsContact OD1-OG 3.07Å; N158-S161 PolarHBondContact O-N 2.78Å; N158-S161 PolarHBondContact O-OG 3.07Å
159C92.3Very high90Very high2 Ų254.6 Ų54.61%0.01427%0.269CS..THydrogen-bonded Turntrans-66.1-8.6177.9-67.50000113.7I127 S161 D162 S163 C166I127-C159 VanDerWaalsContact O-CB 3.23Å; I127-C159 WeakPolarHBondContact O-CB 3.47Å; I127-C159 PolarHBondContact O-N 2.87Å; I127-C159 PolarHBondContact O-SG 2.96Å; I127-C159 VanDerWaalsContact O-SG 3.39Å; C159-S161 VanDerWaalsContact C-N 3.3Å; C159-D162 CarbonylContact O-C 3.53Å; C159-S163 WeakPolarHBondContact O-CA 3.44Å; C159-S163 PolarHBondContact O-N 3.44Å; C159-C166 WeakPolarHBondContact CA-SG 3.45Å; C159-C166 HydrophobicContact CB-CB 3.8Å; C159-C166 WeakPolarHBondContact CB-SG 3.16Å; C159-C166 WeakPolarHBondContact SG-CB 3.39Å; C159-C166 CovalentContact SG-SG 2.04Å; C159-C166 PolarHBondContact SG-SG 3.06Å
160S89.6Confident90.3Very high82 Ų8254.3 Ų54.357%0.57328%0.281SS*.THydrogen-bonded Turntrans-68.3-28169.375.20000112.8N158N158-S160 PolarHBondContact ND2-OG 3.42Å; N158-S160 PolarHBondContact O-N 2.86Å; N158-S160 WeakPolarHBondContact OD1-CB 3.32Å; N158-S160 PolarHBondContact OD1-N 3.22Å; N158-S160 PolarHBondContact OD1-OG 3.31Å; N158-S160 VanDerWaalsContact OD1-OG 3.07Å
161S88Confident90.6Very high66 Ų6654.6 Ų54.646%0.46228%0.282SS..THydrogen-bonded Turntrans-76.9-40177.664.90000111.8S105 N158 C159S105-S161 PolarHBondContact O-OG 2.91Å; N158-S161 PolarHBondContact O-N 2.78Å; N158-S161 PolarHBondContact O-OG 3.07Å; C159-S161 VanDerWaalsContact C-N 3.3Å
162D89.3Confident90.8Very high36 Ų3658 Ų5819%0.19329%0.285CS..  trans-139.983.3179.2-167.8-14.4000112.5E107 F157 C159 R164 Y165 C166E107-D162 PolarHBondContact N-OD2 3.15Å; F157-D162 HydrophobicContact CZ-CB 4.3Å; C159-D162 CarbonylContact O-C 3.53Å; D162-R164 VanDerWaalsContact C-N 3.26Å; D162-R164 PolarHBondContact O-N 3.41Å; D162-R164 PolarHBondContact OD1-N 2.96Å; D162-Y165 PolarHBondContact OD1-N 3.05Å; D162-Y165 WeakPolarHBondContact OD2-CB 3.43Å; D162-C166 PolarHBondContact O-N 3.02Å
163S88.3Confident90.9Very high37 Ų3762.7 Ų62.726%0.25931%0.305SS..Hα-helixtrans-71.3-19.6179.973.50000113.7C159 R167C159-S163 WeakPolarHBondContact O-CA 3.44Å; C159-S163 PolarHBondContact O-N 3.44Å; S163-R167 WeakPolarHBondContact O-CB 3.49Å; S163-R167 WeakPolarHBondContact O-CG 3.29Å; S163-R167 PolarHBondContact O-N 2.75Å; S163-R167 PolarHBondContact O-NE 3.35Å; S163-R167 PolarHBondContact OG-NH2 3.35Å
164R91Very high90.9Very high208 Ų20858.4 Ų58.479%0.78529%0.291SS*.Hα-helixtrans-74.8-44.6180-173.9-175.2-67.2-174.20.4109.6D162 R167 K168D162-R164 VanDerWaalsContact C-N 3.26Å; D162-R164 PolarHBondContact O-N 3.41Å; D162-R164 PolarHBondContact OD1-N 2.96Å; R164-R167 PolarHBondContact O-N 3.34Å; R164-K168 PolarHBondContact O-N 3.49Å
165Y91Very high90.9Very high2 Ų258.1 Ų58.11%0.00829%0.29CS..Hα-helixtrans-62.5-47176.7-176.3-111.2000112.3E107 F110 F157 D162 R167 K168 R169 W171E107-Y165 HydrophobicContact CB-CD2 3.61Å; E107-Y165 HydrophobicContact CB-CE2 4Å; E107-Y165 HydrophobicContact CB-CG 3.87Å; E107-Y165 HydrophobicContact CG-CD2 3.4Å; E107-Y165 HydrophobicContact CG-CE2 3.42Å; E107-Y165 VanDerWaalsContact CG-CE2 3.42Å; E107-Y165 HydrophobicContact CG-CG 4.19Å; E107-Y165 WeakPolarHBondContact OE1-CD2 3.37Å; E107-Y165 WeakPolarHBondContact OE1-CE2 3.48Å; F110-Y165 HydrophobicContact CD1-CE1 4.24Å; F110-Y165 VanDerWaalsContact CD1-OH 3.27Å; F110-Y165 WeakPolarHBondContact CD1-OH 3.49Å; F157-Y165 HydrophobicContact CE1-CD1 4.3Å; F157-Y165 HydrophobicContact CE2-CD1 4.21Å; F157-Y165 HydrophobicContact CE2-CE1 4.4Å; F157-Y165 AromaticContact CZ-CD1 3.71Å; F157-Y165 HydrophobicContact CZ-CD1 3.71Å; F157-Y165 HydrophobicContact CZ-CE1 4.32Å; D162-Y165 PolarHBondContact OD1-N 3.05Å; D162-Y165 WeakPolarHBondContact OD2-CB 3.43Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 3.46Å; Y165-K168 WeakPolarHBondContact O-CB 3.23Å; Y165-K168 PolarHBondContact O-N 3.09Å; Y165-K168 VanDerWaalsContact O-N 3.14Å; Y165-R169 HydrophobicContact CD1-CG 4.48Å; Y165-R169 HydrophobicContact CD2-CG 4.37Å; Y165-R169 HydrophobicContact CE1-CG 4.09Å; Y165-R169 HydrophobicContact CE2-CG 4Å; Y165-R169 PolarHBondContact O-N 3.45Å; Y165-R169 PolarHBondContact OH-NE 3.21Å; Y165-R169 PolarHBondContact OH-NH2 2.93Å; Y165-W171 AromaticContact CD1-CZ3 3.98Å; Y165-W171 HydrophobicContact CD1-CZ3 3.98Å; Y165-W171 AromaticContact CE1-CH2 3.75Å; Y165-W171 HydrophobicContact CE1-CH2 3.75Å; Y165-W171 AromaticContact CE1-CZ3 3.55Å; Y165-W171 HydrophobicContact CE1-CZ3 3.55Å
166C91.8Very high91Very high4 Ų458.2 Ų58.23%0.02729%0.29CS..Hα-helixtrans-59.6-39.8177.2-70.30000112.5F157 C159 D162 R169 G170 W171F157-C166 VanDerWaalsContact CE1-SG 3.52Å; C159-C166 WeakPolarHBondContact CA-SG 3.45Å; C159-C166 HydrophobicContact CB-CB 3.8Å; C159-C166 WeakPolarHBondContact CB-SG 3.16Å; C159-C166 WeakPolarHBondContact SG-CB 3.39Å; C159-C166 CovalentContact SG-SG 2.04Å; C159-C166 PolarHBondContact SG-SG 3.06Å; D162-C166 PolarHBondContact O-N 3.02Å; C166-R169 PolarHBondContact O-N 3.48Å; C166-G170 PolarHBondContact O-N 3.33Å; C166-W171 HydrophobicContact CB-CB 4.14Å; C166-W171 PolarHBondContact O-N 2.85Å
167R91.4Very high91Very high156 Ų15657 Ų5759%0.58928%0.283SS*.Hα-helixtrans-65.2-41.4175.1-81-176.3-97.3-167.9-9.4112.7S163 R164 Y165 R169 G170 M172S163-R167 WeakPolarHBondContact O-CB 3.49Å; S163-R167 WeakPolarHBondContact O-CG 3.29Å; S163-R167 PolarHBondContact O-N 2.75Å; S163-R167 PolarHBondContact O-NE 3.35Å; S163-R167 PolarHBondContact OG-NH2 3.35Å; R164-R167 PolarHBondContact O-N 3.34Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 3.46Å; R167-R169 VanDerWaalsContact C-N 3.29Å; R167-R169 PolarHBondContact O-N 3.19Å; R167-G170 PolarHBondContact O-N 3.4Å; R167-M172 HydrophobicContact CG-SD 3.84Å
168K91.9Very high91Very high148 Ų14857 Ų5764%0.64328%0.283SS*.Hα-helixtrans-61.9-36.1175.6-179-176.7171.8-168.80112.1E107 R164 Y165E107-K168 IonicContact OE1-NZ 3.29Å; E107-K168 PolarHBondContact OE1-NZ 3.43Å; E107-K168 VanDerWaalsContact OE1-NZ 3.1Å; R164-K168 PolarHBondContact O-N 3.49Å; Y165-K168 WeakPolarHBondContact O-CB 3.23Å; Y165-K168 PolarHBondContact O-N 3.09Å; Y165-K168 VanDerWaalsContact O-N 3.14Å
169R89.3Confident90.9Very high87 Ų8754.2 Ų54.233%0.32827%0.268SS..Hα-helixtrans-87.9-11.9179.6-66.9-69.7-179.4148.22.6114.4E115 Y165 C166 R167 W171E115-R169 IonicContact OE1-CZ 3.1Å; E115-R169 IonicContact OE1-NH1 3Å; E115-R169 PolarHBondContact OE1-NH1 3.06Å; E115-R169 IonicContact OE1-NH2 3.65Å; E115-R169 PolarHBondContact OE1-NH2 3.37Å; E115-R169 IonicContact OE2-CZ 3.06Å; E115-R169 IonicContact OE2-NH2 2.73Å; E115-R169 PolarHBondContact OE2-NH2 2.91Å; Y165-R169 HydrophobicContact CD1-CG 4.48Å; Y165-R169 HydrophobicContact CD2-CG 4.37Å; Y165-R169 HydrophobicContact CE1-CG 4.09Å; Y165-R169 HydrophobicContact CE2-CG 4Å; Y165-R169 PolarHBondContact O-N 3.45Å; Y165-R169 PolarHBondContact OH-NE 3.21Å; Y165-R169 PolarHBondContact OH-NH2 2.93Å; C166-R169 PolarHBondContact O-N 3.48Å; R167-R169 VanDerWaalsContact C-N 3.29Å; R167-R169 PolarHBondContact O-N 3.19Å; R169-W171 HydrophobicContact CB-CD2 3.86Å; R169-W171 HydrophobicContact CB-CE3 4.35Å; R169-W171 HydrophobicContact CB-CG 4.21Å; R169-W171 HydrophobicContact CB-CZ2 4.03Å; R169-W171 HydrophobicContact CG-CH2 4.35Å; R169-W171 HydrophobicContact CG-CZ2 4.17Å
170G90.1Very high90.7Very high46 Ų4654.4 Ų54.447%0.47427%0.269SS..THydrogen-bonded Turntrans8513.5-178.700000114.9C166 R167 M172C166-G170 PolarHBondContact O-N 3.33Å; R167-G170 PolarHBondContact O-N 3.4Å; G170-M172 PolarHBondContact O-N 2.92Å
171W91.2Very high90.4Very high10 Ų1051 Ų514%0.03825%0.245CC..  trans-80.365.3-179.8-56.6-22.5000112.2F110 V126 F157 Y165 C166 R169 I177 E194F110-W171 HydrophobicContact CE1-CH2 4.15Å; F110-W171 HydrophobicContact CE2-CH2 4.45Å; F110-W171 AromaticContact CZ-CH2 3.99Å; F110-W171 HydrophobicContact CZ-CH2 3.99Å; V126-W171 HydrophobicContact CB-CE3 4.5Å; V126-W171 HydrophobicContact CG1-CB 4.01Å; V126-W171 HydrophobicContact CG1-CD2 4.1Å; V126-W171 HydrophobicContact CG1-CE3 3.74Å; V126-W171 HydrophobicContact CG1-CG 4.23Å; V126-W171 HydrophobicContact CG2-CD2 4.22Å; V126-W171 HydrophobicContact CG2-CE3 3.96Å; V126-W171 HydrophobicContact CG2-CZ3 4.13Å; F157-W171 HydrophobicContact CD1-CZ3 4.4Å; Y165-W171 AromaticContact CD1-CZ3 3.98Å; Y165-W171 HydrophobicContact CD1-CZ3 3.98Å; Y165-W171 AromaticContact CE1-CH2 3.75Å; Y165-W171 HydrophobicContact CE1-CH2 3.75Å; Y165-W171 AromaticContact CE1-CZ3 3.55Å; Y165-W171 HydrophobicContact CE1-CZ3 3.55Å; C166-W171 HydrophobicContact CB-CB 4.14Å; C166-W171 PolarHBondContact O-N 2.85Å; R169-W171 HydrophobicContact CB-CD2 3.86Å; R169-W171 HydrophobicContact CB-CE3 4.35Å; R169-W171 HydrophobicContact CB-CG 4.21Å; R169-W171 HydrophobicContact CB-CZ2 4.03Å; R169-W171 HydrophobicContact CG-CH2 4.35Å; R169-W171 HydrophobicContact CG-CZ2 4.17Å; W171-I177 HydrophobicContact CD2-CD1 3.83Å; W171-I177 HydrophobicContact CE3-CD1 4.44Å; W171-I177 HydrophobicContact CG-CD1 4.37Å; W171-I177 HydrophobicContact CH2-CD1 3.88Å; W171-I177 HydrophobicContact CZ2-CD1 3.16Å; W171-I177 HydrophobicContact CZ3-CD1 4.45Å; W171-I177 VanDerWaalsContact NE1-CD1 3.27Å; W171-E194 PolarHBondContact NE1-OE1 3.46Å
172M88.2Confident89.8Confident123 Ų12353.6 Ų53.661%0.60625%0.25SC*.  trans-84.9-13.2179-59.3-57.5-67.900113.1R167 G170R167-M172 HydrophobicContact CG-SD 3.84Å; G170-M172 PolarHBondContact O-N 2.92Å
173K90.6Very high88.9Confident107 Ų10754.6 Ų54.647%0.46526%0.257SS..SBendtrans-125.9144.8177.952.5167.8-171.3178.50109.5T175K173-T175 HydrophobicContact CD-CG2 4.05Å; K173-T175 HydrophobicContact CG-CG2 3.83Å; K173-T175 WeakPolarHBondContact O-CG2 3.48Å; K173-T175 PolarHBondContact O-N 2.7Å; K173-T175 PolarHBondContact O-OG1 3.42Å
174S91.7Very high87.8Confident16 Ų1656.6 Ų56.611%0.11226%0.259CS..  trans-61121.2175.6-55.40000109.2V126 A128 D132V126-S174 CarbonylContact O-C 3.57Å; V126-S174 VanDerWaalsContact O-CA 3.22Å; V126-S174 WeakPolarHBondContact O-CA 3.46Å; A128-S174 PolarHBondContact N-OG 3.19Å; A128-S174 VanDerWaalsContact N-OG 3.1Å; D132-S174 WeakPolarHBondContact O-CB 3.5Å; D132-S174 PolarHBondContact O-OG 3.19Å
175T92.4Very high86.5Confident5 Ų549.7 Ų49.73%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-140.7163.9-171.345.60000110.4V126 K173V126-T175 PolarHBondContact N-O 3.36Å; V126-T175 PolarHBondContact O-N 3.4Å; K173-T175 HydrophobicContact CD-CG2 4.05Å; K173-T175 HydrophobicContact CG-CG2 3.83Å; K173-T175 WeakPolarHBondContact O-CG2 3.48Å; K173-T175 PolarHBondContact O-N 2.7Å; K173-T175 PolarHBondContact O-OG1 3.42Å
176L94Very high85Confident1 Ų154.1 Ų54.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-107.1132.9172.5-168.672.6000108.6L123 Q125 L134 W140 Y195 I205L123-L176 HydrophobicContact CD1-CD1 4.04Å; L123-L176 HydrophobicContact CD1-CD2 3.71Å; L123-L176 HydrophobicContact CD1-CG 3.72Å; L123-L176 HydrophobicContact CD2-CD2 4.41Å; L123-L176 HydrophobicContact CG-CD1 4.01Å; L123-L176 HydrophobicContact CG-CD2 4.29Å; L123-L176 HydrophobicContact CG-CG 4.26Å; Q125-L176 HydrophobicContact CB-CD1 4.12Å; L134-L176 HydrophobicContact CD2-CB 4.09Å; W140-L176 HydrophobicContact CH2-CD1 4.1Å; W140-L176 HydrophobicContact CZ3-CD1 3.64Å; L176-Y195 WeakPolarHBondContact O-CB 3.4Å; L176-Y195 PolarHBondContact O-N 3.47Å; L176-I205 HydrophobicContact CD2-CD1 4.39Å; L176-I205 HydrophobicContact CD2-CG2 3.29Å
177I93.5Very high83.6Confident2 Ų263.1 Ų63.11%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-120.2135.2-177.4-56-175000108.3V124 V126 W171 L192 K193 E194V124-I177 PolarHBondContact N-O 3.22Å; V124-I177 PolarHBondContact O-N 3.33Å; V126-I177 HydrophobicContact CB-CD1 4.48Å; V126-I177 HydrophobicContact CG2-CD1 3.42Å; V126-I177 VanDerWaalsContact CG2-CD1 3.42Å; V126-I177 HydrophobicContact CG2-CG1 3.91Å; W171-I177 HydrophobicContact CD2-CD1 3.83Å; W171-I177 HydrophobicContact CE3-CD1 4.44Å; W171-I177 HydrophobicContact CG-CD1 4.37Å; W171-I177 HydrophobicContact CH2-CD1 3.88Å; W171-I177 HydrophobicContact CZ2-CD1 3.16Å; W171-I177 HydrophobicContact CZ3-CD1 4.45Å; W171-I177 VanDerWaalsContact NE1-CD1 3.27Å; I177-L192 HydrophobicContact CG2-CB 4.1Å; I177-L192 HydrophobicContact CG2-CD2 4.13Å; I177-K193 CarbonylContact C-O 3.6Å; I177-K193 WeakPolarHBondContact CA-O 3.49Å; I177-E194 HydrophobicContact CG1-CG 4.4Å
178M92.7Very high82.3Confident0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-114.4128.4173.2-174.9-17018000108.8I121 W122 L123 V180 L192 K193 W208 M209 H212 V213I121-M178 HydrophobicContact CG2-CE 3.67Å; I121-M178 HydrophobicContact CG2-CG 4.29Å; W122-M178 CarbonylContact O-C 3.57Å; W122-M178 VanDerWaalsContact O-CA 3.28Å; W122-M178 WeakPolarHBondContact O-CA 3.46Å; L123-M178 HydrophobicContact CD1-CB 4.36Å; M178-V180 HydrophobicContact CE-CG2 3.32Å; M178-V180 HydrophobicContact CG-CG2 3.94Å; M178-V180 HydrophobicContact SD-CG2 3.92Å; M178-L192 CarbonylContact O-C 3.53Å; M178-L192 WeakPolarHBondContact O-CA 3.36Å; M178-K193 PolarHBondContact N-O 3.05Å; M178-K193 PolarHBondContact O-N 3.05Å; M178-W208 HydrophobicContact CB-CH2 3.56Å; M178-W208 HydrophobicContact CB-CZ3 3.86Å; M178-W208 HydrophobicContact SD-CH2 4.45Å; M178-W208 HydrophobicContact SD-CZ3 4.29Å; M178-M209 HydrophobicContact CE-CG 3.55Å; M178-M209 HydrophobicContact SD-CB 4.26Å; M178-M209 HydrophobicContact SD-CG 3.74Å; M178-H212 HydrophobicContact CE-CB 4.31Å; M178-H212 HydrophobicContact SD-CB 3.91Å; M178-V213 HydrophobicContact CE-CB 4.47Å; M178-V213 HydrophobicContact CE-CG2 3.21Å
179S91.1Very high81.6Confident1 Ų157.6 Ų57.61%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-98.6130.9169.984.30000109.9V114 I121 W122 M191V114-S179 WeakPolarHBondContact CG1-OG 3.34Å; I121-S179 WeakPolarHBondContact CG2-O 3.19Å; W122-S179 VanDerWaalsContact CB-OG 3.27Å; W122-S179 WeakPolarHBondContact CB-OG 3.44Å; W122-S179 PolarHBondContact N-O 2.76Å; W122-S179 PolarHBondContact N-OG 2.67Å; W122-S179 PolarHBondContact O-N 3.4Å; S179-M191 WeakPolarHBondContact CA-O 3.43Å
180V87.4Confident81.4Confident5 Ų554.8 Ų54.83%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-139.1135.4175.5-174.30000109.2I121 M178 Q182 M191I121-V180 HydrophobicContact CG2-CG2 4.36Å; M178-V180 HydrophobicContact CE-CG2 3.32Å; M178-V180 HydrophobicContact CG-CG2 3.94Å; M178-V180 HydrophobicContact SD-CG2 3.92Å; V180-Q182 PolarHBondContact O-N 2.7Å; V180-M191 PolarHBondContact N-O 3.31Å; V180-M191 PolarHBondContact O-N 3.49Å
181P83.4Confident81.1Confident10 Ų1055.1 Ų55.17%0.06528%0.284CS..EExtended strand (participates in β ladder)trans-65.6132.1175.4-13.526.8000110.7K118 V258K118-P181 WeakPolarHBondContact O-CG 3.47Å; P181-V258 HydrophobicContact CG-CG1 3.82Å
182Q75.1Confident81Confident122 Ų12256.9 Ų56.957%0.5729%0.294SS*.  trans-80.7-29.9-172.1-167.8175.911.600113.6V180 K189 M191V180-Q182 PolarHBondContact O-N 2.7Å; Q182-K189 VanDerWaalsContact CB-O 3.31Å; Q182-K189 WeakPolarHBondContact CB-O 3.33Å; Q182-K189 PolarHBondContact N-O 3.33Å; Q182-M191 HydrophobicContact CB-CB 4.35Å
183T70.1Confident81.1Confident56 Ų5653.4 Ų53.434%0.34428%0.275SS..  trans-118.7159.3-17560.80000112.2A185 G188 R216T183-A185 PolarHBondContact OG1-O 3.03Å; T183-G188 WeakPolarHBondContact OG1-CA 3.45Å; T183-R216 PolarHBondContact O-NH2 2.91Å
184Y66.9Low81.2Confident79 Ų7951.8 Ų51.831%0.3127%0.269SS..SBendtrans-73.9-16.4168.3-66-83.3000113.1R216Y184-R216 PolarHBondContact OH-O 2.85Å
185A63.6Low81.3Confident64 Ų6451.9 Ų51.953%0.52927%0.267SS..SBendtrans-75.6138.6177.300000112.1T183 K187 G188T183-A185 PolarHBondContact OG1-O 3.03Å; A185-K187 PolarHBondContact O-N 3.44Å; A185-K187 VanDerWaalsContact O-N 3.09Å; A185-G188 PolarHBondContact O-N 2.79Å; A185-G188 VanDerWaalsContact O-N 3.16Å
186S59.4Low81Confident94 Ų9457.1 Ų57.166%0.65730%0.295SS*.THydrogen-bonded Turntrans-61.1-16.2178.356.50000114.3K118K118-S186 WeakPolarHBondContact CD-O 3.43Å; K118-S186 PolarHBondContact NZ-O 3.27Å
187K60.8Low80.5Confident194 Ų19458.7 Ų58.784%0.84331%0.312SS*.THydrogen-bonded Turntrans-104.112178.3-69.4-172.4179.2-1800115.2K118 A185K118-K187 VanDerWaalsContact NZ-C 3.33Å; K118-K187 VanDerWaalsContact NZ-CA 3.26Å; A185-K187 PolarHBondContact O-N 3.44Å; A185-K187 VanDerWaalsContact O-N 3.09Å
188G65.6Low80Confident15 Ų1570.7 Ų70.716%0.15536%0.357CS..PPolyproline II helixtrans-66.3162.2-18000000116.4K118 T183 A185K118-G188 VanDerWaalsContact CE-O 3.26Å; K118-G188 WeakPolarHBondContact CE-O 3.32Å; K118-G188 PolarHBondContact NZ-O 3.48Å; T183-G188 WeakPolarHBondContact OG1-CA 3.45Å; A185-G188 PolarHBondContact O-N 2.79Å; A185-G188 VanDerWaalsContact O-N 3.16Å
189K76.6Confident79.6Confident172 Ų17278 Ų7875%0.74839%0.385SS*.PPolyproline II helixtrans-80.1143.3169-67.2-175178.5-177.80110.8Q182Q182-K189 VanDerWaalsContact CB-O 3.31Å; Q182-K189 WeakPolarHBondContact CB-O 3.33Å; Q182-K189 PolarHBondContact N-O 3.33Å
190V84.1Confident79.3Confident28 Ų2881.8 Ų81.817%0.1740%0.404CS..EExtended strand (participates in β ladder)trans-82.1132.8170-177.60000108.9E115 K118E115-V190 WeakPolarHBondContact O-CG2 3.34Å; K118-V190 HydrophobicContact CG-CG2 4.38Å
191M84.6Confident79.3Confident53 Ų5386.9 Ų86.926%0.26143%0.427SS..EExtended strand (participates in β ladder)trans-97.8127.8178.1176.7-179.353.900109.3S179 V180 Q182 K193S179-M191 WeakPolarHBondContact CA-O 3.43Å; V180-M191 PolarHBondContact N-O 3.31Å; V180-M191 PolarHBondContact O-N 3.49Å; Q182-M191 HydrophobicContact CB-CB 4.35Å; M191-K193 HydrophobicContact CE-CD 4Å; M191-K193 HydrophobicContact CE-CG 4.31Å; M191-K193 HydrophobicContact CG-CG 4.24Å; M191-K193 HydrophobicContact SD-CD 4.42Å; M191-K193 WeakPolarHBondContact SD-CE 3.17Å; M191-K193 HydrophobicContact SD-CG 4.31Å
192L89.5Confident79.5Confident48 Ų4887.9 Ų87.925%0.25143%0.433SS..EExtended strand (participates in β ladder)trans-93.8129170.9-60.1179.8000109.6F110 V114 E115 I177 M178F110-L192 HydrophobicContact CE1-CD1 4.27Å; F110-L192 HydrophobicContact CZ-CD1 4.41Å; F110-L192 HydrophobicContact CZ-CD2 4.38Å; V114-L192 HydrophobicContact CG1-CD2 4.31Å; E115-L192 WeakPolarHBondContact OE1-CD1 3.46Å; I177-L192 HydrophobicContact CG2-CB 4.1Å; I177-L192 HydrophobicContact CG2-CD2 4.13Å; M178-L192 CarbonylContact O-C 3.53Å; M178-L192 WeakPolarHBondContact O-CA 3.36Å
193K90.8Very high79.9Confident49 Ų4983.9 Ų83.921%0.21341%0.414CS..EExtended strand (participates in β ladder)trans-118.6126.9176.5-74.3-172.4166.5165.90110.4I177 M178 M191 W208 H212I177-K193 CarbonylContact C-O 3.6Å; I177-K193 WeakPolarHBondContact CA-O 3.49Å; M178-K193 PolarHBondContact N-O 3.05Å; M178-K193 PolarHBondContact O-N 3.05Å; M191-K193 HydrophobicContact CE-CD 4Å; M191-K193 HydrophobicContact CE-CG 4.31Å; M191-K193 HydrophobicContact CG-CG 4.24Å; M191-K193 HydrophobicContact SD-CD 4.42Å; M191-K193 WeakPolarHBondContact SD-CE 3.17Å; M191-K193 HydrophobicContact SD-CG 4.31Å; K193-W208 HydrophobicContact CB-CZ2 4.22Å; K193-H212 HydrophobicContact CD-CB 4.4Å; K193-H212 WeakPolarHBondContact CD-CD2 3.3Å; K193-H212 PolarHBondContact NZ-CD2 3.5Å
194E92.6Very high80.8Confident73 Ų7383.4 Ų83.434%0.34141%0.408SS..EExtended strand (participates in β ladder)trans-90139.5176.3-63-176.3-175.300111.3W171 I177 N196W171-E194 PolarHBondContact NE1-OE1 3.46Å; I177-E194 HydrophobicContact CG1-CG 4.4Å; E194-N196 PolarHBondContact O-N 2.88Å
195Y92.8Very high81.9Confident18 Ų1879.7 Ų79.77%0.07139%0.394CS..  trans-75.3111.6173.4-173.2-101.1000110.9L134 L176 G197 R199 I205 W208L134-Y195 HydrophobicContact CD2-CD1 4.44Å; L176-Y195 WeakPolarHBondContact O-CB 3.4Å; L176-Y195 PolarHBondContact O-N 3.47Å; Y195-G197 WeakPolarHBondContact CE1-O 3.49Å; Y195-R199 PolarHBondContact OH-O 3.33Å; Y195-I205 HydrophobicContact CD2-CG1 4.44Å; Y195-I205 HydrophobicContact CE1-CG1 4.08Å; Y195-I205 HydrophobicContact CE2-CG1 3.97Å; Y195-W208 HydrophobicContact CD2-CB 4.2Å; Y195-W208 AromaticContact CD2-CD2 3.42Å; Y195-W208 HydrophobicContact CD2-CD2 3.42Å; Y195-W208 VanDerWaalsContact CD2-CD2 3.42Å; Y195-W208 AromaticContact CD2-CE2 3.74Å; Y195-W208 AromaticContact CD2-CE3 3.63Å; Y195-W208 HydrophobicContact CD2-CE3 3.63Å; Y195-W208 AromaticContact CD2-CG 3.66Å; Y195-W208 HydrophobicContact CD2-CG 3.66Å; Y195-W208 HydrophobicContact CD2-CH2 4.42Å; Y195-W208 HydrophobicContact CD2-CZ2 4.25Å; Y195-W208 HydrophobicContact CD2-CZ3 4.13Å; Y195-W208 HydrophobicContact CE2-CB 3.75Å; Y195-W208 AromaticContact CE2-CD2 3.94Å; Y195-W208 HydrophobicContact CE2-CD2 3.94Å; Y195-W208 HydrophobicContact CE2-CE3 4.28Å; Y195-W208 AromaticContact CE2-CG 3.68Å; Y195-W208 HydrophobicContact CE2-CG 3.68Å
196N87.1Confident83.1Confident115 Ų11576.8 Ų76.862%0.61537%0.369SS*.  trans-109.417.9177.6-72.5-40.1000113.2E194E194-N196 PolarHBondContact O-N 2.88Å
197G83.6Confident84.5Confident35 Ų3577.3 Ų77.336%0.36136%0.36SS..  trans-72.6147.2-179.700000113Y195Y195-G197 WeakPolarHBondContact CE1-O 3.49Å
198R81.4Confident85.9Confident253 Ų25370.1 Ų70.196%0.95533%0.327SS*.SBendtrans-78.5-19.6178.6-64.3-177.5-177.5178.40.6113.6
199R84.9Confident87.1Confident154 Ų15469.5 Ų69.558%0.58132%0.32SS*.  trans-107.3126.5-178.4-64.3-173.2-176.5-171.62.2109.3Y195 E201 H204Y195-R199 PolarHBondContact OH-O 3.33Å; R199-E201 VanDerWaalsContact C-N 3.34Å; R199-H204 HydrophobicContact CB-CB 4.37Å; R199-H204 PolarHBondContact NH1-NE2 3.35Å
200I85.9Confident87.7Confident80 Ų8062 Ų6241%0.4129%0.289SS..  trans-99.115.8-174.6-56.4163.7000111.1L134 L135L134-I200 HydrophobicContact CD1-CD1 3.79Å; L134-I200 HydrophobicContact CD1-CG1 4.16Å; L134-I200 HydrophobicContact CD1-CG2 4.33Å; L134-I200 HydrophobicContact CG-CG2 4.02Å; L134-I200 WeakPolarHBondContact O-CG2 3.4Å; L135-I200 HydrophobicContact CD2-CG2 3.74Å; L135-I200 WeakPolarHBondContact CD2-O 3.3Å; L135-I200 HydrophobicContact CG-CG2 4.43Å
201E86.9Confident87.9Confident113 Ų11362.2 Ų62.253%0.52829%0.294SS..  trans-70145.7176.2-68.5167.9-151.700111.1R199 E203 H204 I205R199-E201 VanDerWaalsContact C-N 3.34Å; E201-E203 VanDerWaalsContact C-N 3.25Å; E201-E203 PolarHBondContact O-N 3.03Å; E201-H204 PolarHBondContact O-N 3.03Å; E201-H204 IonicContact OE2-CE1 3.55Å; E201-H204 PolarHBondContact OE2-CE1 3.48Å; E201-H204 IonicContact OE2-ND1 3.34Å; E201-H204 PolarHBondContact OE2-ND1 2.95Å; E201-I205 PolarHBondContact O-N 2.76Å
202T86.4Confident88.1Confident30 Ų3062 Ų6218%0.18429%0.292CS..Hα-helixtrans-58.6-37.3-177.951.80000112.1N139 M143 I205 F206N139-T202 HydrophobicContact CB-CG2 4.42Å; M143-T202 HydrophobicContact CE-CG2 4.07Å; M143-T202 WeakPolarHBondContact CE-O 3.46Å; T202-I205 PolarHBondContact O-N 3.17Å; T202-F206 VanDerWaalsContact O-CB 3.3Å; T202-F206 WeakPolarHBondContact O-CB 3.19Å; T202-F206 PolarHBondContact O-N 2.97Å
203E84.6Confident88.1Confident38 Ų3859.9 Ų59.918%0.17828%0.281CS..Hα-helixtrans-66.7-40179.5-62.8-51.812800113.1K146 E201 F206 K207K146-E203 IonicContact NZ-OE1 3.3Å; K146-E203 PolarHBondContact NZ-OE1 3.44Å; K146-E203 IonicContact NZ-OE2 3.88Å; K146-E203 PolarHBondContact NZ-OE2 3.19Å; E201-E203 VanDerWaalsContact C-N 3.25Å; E201-E203 PolarHBondContact O-N 3.03Å; E203-F206 PolarHBondContact O-N 3.28Å; E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 2.83Å
204H88.3Confident88Confident47 Ų4758 Ų5822%0.21827%0.274CS..Hα-helixtrans-70.5-38.3178.5-65.285.8000111.8R199 E201 W208R199-H204 HydrophobicContact CB-CB 4.37Å; R199-H204 PolarHBondContact NH1-NE2 3.35Å; E201-H204 PolarHBondContact O-N 3.03Å; E201-H204 IonicContact OE2-CE1 3.55Å; E201-H204 PolarHBondContact OE2-CE1 3.48Å; E201-H204 IonicContact OE2-ND1 3.34Å; E201-H204 PolarHBondContact OE2-ND1 2.95Å; H204-W208 WeakPolarHBondContact O-CB 3.34Å; H204-W208 PolarHBondContact O-N 3.02Å
205I90.6Very high87.7Confident0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-64.6-44.9174.5-67.6169.4000109.9L135 M143 L176 Y195 E201 T202 W208 M209L135-I205 HydrophobicContact CD1-CD1 3.95Å; L135-I205 HydrophobicContact CD2-CD1 3.89Å; L135-I205 HydrophobicContact CG-CD1 4.21Å; M143-I205 HydrophobicContact CE-CB 3.65Å; M143-I205 HydrophobicContact CE-CD1 4.35Å; M143-I205 HydrophobicContact CE-CG2 3.51Å; M143-I205 HydrophobicContact SD-CG2 4.33Å; L176-I205 HydrophobicContact CD2-CD1 4.39Å; L176-I205 HydrophobicContact CD2-CG2 3.29Å; Y195-I205 HydrophobicContact CD2-CG1 4.44Å; Y195-I205 HydrophobicContact CE1-CG1 4.08Å; Y195-I205 HydrophobicContact CE2-CG1 3.97Å; E201-I205 PolarHBondContact O-N 2.76Å; T202-I205 PolarHBondContact O-N 3.17Å; I205-W208 WeakPolarHBondContact O-CB 3.23Å; I205-W208 PolarHBondContact O-N 3.29Å; I205-M209 WeakPolarHBondContact O-CB 3.41Å; I205-M209 PolarHBondContact O-N 3.22Å
206F89.1Confident87.3Confident4 Ų458.7 Ų58.72%0.01829%0.286CS..Hα-helixtrans-60.2-48176.4-174.2-100.8000111.3K146 V147 F150 T202 E203 W208 M209 T210 A251K146-F206 HydrophobicContact CD-CD2 4.23Å; K146-F206 HydrophobicContact CD-CG 4.39Å; K146-F206 HydrophobicContact CG-CD2 4.11Å; K146-F206 HydrophobicContact CG-CE2 4.13Å; V147-F206 HydrophobicContact CG2-CD2 4.25Å; F150-F206 AromaticContact CD2-CE2 3.95Å; F150-F206 HydrophobicContact CD2-CE2 3.95Å; F150-F206 HydrophobicContact CD2-CZ 4.17Å; F150-F206 AromaticContact CE2-CE2 3.52Å; F150-F206 HydrophobicContact CE2-CE2 3.52Å; F150-F206 AromaticContact CE2-CZ 3.43Å; F150-F206 HydrophobicContact CE2-CZ 3.43Å; F150-F206 VanDerWaalsContact CE2-CZ 3.43Å; F150-F206 HydrophobicContact CZ-CE2 4.39Å; F150-F206 AromaticContact CZ-CZ 3.86Å; F150-F206 HydrophobicContact CZ-CZ 3.86Å; T202-F206 VanDerWaalsContact O-CB 3.3Å; T202-F206 WeakPolarHBondContact O-CB 3.19Å; T202-F206 PolarHBondContact O-N 2.97Å; E203-F206 PolarHBondContact O-N 3.28Å; F206-W208 VanDerWaalsContact C-N 3.33Å; F206-W208 PolarHBondContact O-N 3.26Å; F206-M209 HydrophobicContact CD2-CE 3.56Å; F206-M209 HydrophobicContact CE2-CE 3.57Å; F206-M209 HydrophobicContact CG-CE 4.49Å; F206-M209 WeakPolarHBondContact O-CB 3.35Å; F206-M209 PolarHBondContact O-N 3.47Å; F206-M209 VanDerWaalsContact O-N 3.15Å; F206-T210 HydrophobicContact CD1-CG2 4.02Å; F206-T210 HydrophobicContact CD2-CG2 4.47Å; F206-T210 HydrophobicContact CE1-CG2 3.64Å; F206-T210 HydrophobicContact CE2-CG2 4.12Å; F206-T210 HydrophobicContact CG-CG2 4.42Å; F206-T210 HydrophobicContact CZ-CG2 3.68Å; F206-T210 WeakPolarHBondContact O-CG2 3.22Å; F206-T210 PolarHBondContact O-N 3.23Å; F206-T210 PolarHBondContact O-OG1 3.17Å; F206-A251 HydrophobicContact CZ-CB 4.23Å
207K88.1Confident87.4Confident105 Ų10553.5 Ų53.546%0.45726%0.259SS..Hα-helixtrans-59.8-40.1175.8-176176.4-177.2171.50112.9E203 T210 A211E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 PolarHBondContact O-N 2.83Å; K207-T210 PolarHBondContact O-OG1 3.38Å; K207-A211 VanDerWaalsContact O-CB 3.29Å; K207-A211 WeakPolarHBondContact O-CB 3.14Å; K207-A211 PolarHBondContact O-N 3.36Å; K207-A211 VanDerWaalsContact O-N 3.07Å
208W90.6Very high87.6Confident43 Ų4355.4 Ų55.416%0.16326%0.257CS..Hα-helixtrans-63.4-45.4174.7165.189.9000111.2L123 M178 K193 Y195 H204 I205 F206 H212L123-W208 HydrophobicContact CD1-CZ3 4.44Å; M178-W208 HydrophobicContact CB-CH2 3.56Å; M178-W208 HydrophobicContact CB-CZ3 3.86Å; M178-W208 HydrophobicContact SD-CH2 4.45Å; M178-W208 HydrophobicContact SD-CZ3 4.29Å; K193-W208 HydrophobicContact CB-CZ2 4.22Å; Y195-W208 HydrophobicContact CD2-CB 4.2Å; Y195-W208 AromaticContact CD2-CD2 3.42Å; Y195-W208 HydrophobicContact CD2-CD2 3.42Å; Y195-W208 VanDerWaalsContact CD2-CD2 3.42Å; Y195-W208 AromaticContact CD2-CE2 3.74Å; Y195-W208 AromaticContact CD2-CE3 3.63Å; Y195-W208 HydrophobicContact CD2-CE3 3.63Å; Y195-W208 AromaticContact CD2-CG 3.66Å; Y195-W208 HydrophobicContact CD2-CG 3.66Å; Y195-W208 HydrophobicContact CD2-CH2 4.42Å; Y195-W208 HydrophobicContact CD2-CZ2 4.25Å; Y195-W208 HydrophobicContact CD2-CZ3 4.13Å; Y195-W208 HydrophobicContact CE2-CB 3.75Å; Y195-W208 AromaticContact CE2-CD2 3.94Å; Y195-W208 HydrophobicContact CE2-CD2 3.94Å; Y195-W208 HydrophobicContact CE2-CE3 4.28Å; Y195-W208 AromaticContact CE2-CG 3.68Å; Y195-W208 HydrophobicContact CE2-CG 3.68Å; H204-W208 WeakPolarHBondContact O-CB 3.34Å; H204-W208 PolarHBondContact O-N 3.02Å; I205-W208 WeakPolarHBondContact O-CB 3.23Å; I205-W208 PolarHBondContact O-N 3.29Å; F206-W208 VanDerWaalsContact C-N 3.33Å; F206-W208 PolarHBondContact O-N 3.26Å; W208-H212 AromaticContact CD1-CE1 3.33Å; W208-H212 AromaticContact CD1-ND1 3.58Å; W208-H212 AromaticContact CD2-ND1 3.82Å; W208-H212 AromaticContact CE2-CE1 3.67Å; W208-H212 AromaticContact CE2-ND1 3.56Å; W208-H212 AromaticContact CG-ND1 3.85Å; W208-H212 AromaticContact NE1-CE1 3.05Å; W208-H212 PolarHBondContact NE1-CE1 3.12Å; W208-H212 AromaticContact NE1-ND1 3.4Å; W208-H212 PolarHBondContact NE1-ND1 3.35Å; W208-H212 PolarHBondContact O-N 2.68Å; W208-H212 PolarHBondContact O-ND1 3.1Å
209M90.4Very high88.1Confident1 Ų145.9 Ų45.91%0.00523%0.227CC..Hα-helixtrans-61.7-52.5179.2-179.7-165.972.300110.4L123 V147 I152 M178 I205 F206 A211 H212 V213L123-M209 HydrophobicContact CD2-SD 4.4Å; V147-M209 HydrophobicContact CG1-CE 4.48Å; V147-M209 HydrophobicContact CG1-SD 4.03Å; V147-M209 HydrophobicContact CG2-CE 4.03Å; V147-M209 HydrophobicContact CG2-SD 4.04Å; I152-M209 HydrophobicContact CD1-CE 3.54Å; I152-M209 HydrophobicContact CD1-SD 3.75Å; I152-M209 HydrophobicContact CG2-SD 4.49Å; M178-M209 HydrophobicContact CE-CG 3.55Å; M178-M209 HydrophobicContact SD-CB 4.26Å; M178-M209 HydrophobicContact SD-CG 3.74Å; I205-M209 WeakPolarHBondContact O-CB 3.41Å; I205-M209 PolarHBondContact O-N 3.22Å; F206-M209 HydrophobicContact CD2-CE 3.56Å; F206-M209 HydrophobicContact CE2-CE 3.57Å; F206-M209 HydrophobicContact CG-CE 4.49Å; F206-M209 WeakPolarHBondContact O-CB 3.35Å; F206-M209 PolarHBondContact O-N 3.47Å; F206-M209 VanDerWaalsContact O-N 3.15Å; M209-A211 VanDerWaalsContact C-N 3.33Å; M209-A211 PolarHBondContact O-N 2.65Å; M209-H212 WeakPolarHBondContact O-CB 3.47Å; M209-H212 PolarHBondContact O-N 3.36Å; M209-V213 WeakPolarHBondContact O-CG2 3.32Å; M209-V213 PolarHBondContact O-N 3.22Å
210T89Confident88.4Confident14 Ų1438.6 Ų38.69%0.08620%0.2CC..Hα-helixtrans-62.1-38.9-178.558.60000112.3F206 K207 H212 V213 A214 A251F206-T210 HydrophobicContact CD1-CG2 4.02Å; F206-T210 HydrophobicContact CD2-CG2 4.47Å; F206-T210 HydrophobicContact CE1-CG2 3.64Å; F206-T210 HydrophobicContact CE2-CG2 4.12Å; F206-T210 HydrophobicContact CG-CG2 4.42Å; F206-T210 HydrophobicContact CZ-CG2 3.68Å; F206-T210 WeakPolarHBondContact O-CG2 3.22Å; F206-T210 PolarHBondContact O-N 3.23Å; F206-T210 PolarHBondContact O-OG1 3.17Å; K207-T210 PolarHBondContact O-OG1 3.38Å; T210-H212 VanDerWaalsContact C-N 3.25Å; T210-H212 PolarHBondContact O-N 2.69Å; T210-V213 PolarHBondContact O-N 2.9Å; T210-A214 WeakPolarHBondContact O-CB 3.4Å; T210-A214 PolarHBondContact O-N 3.38Å; T210-A251 HydrophobicContact CG2-CB 3.52Å
211A89Confident88.5Confident33 Ų3341.8 Ų41.827%0.27321%0.206SC..Hα-helixtrans-60.6-36.1174.700000112.3K207 M209 S215K207-A211 VanDerWaalsContact O-CB 3.29Å; K207-A211 WeakPolarHBondContact O-CB 3.14Å; K207-A211 PolarHBondContact O-N 3.36Å; K207-A211 VanDerWaalsContact O-N 3.07Å; M209-A211 VanDerWaalsContact C-N 3.33Å; M209-A211 PolarHBondContact O-N 2.65Å; A211-S215 PolarHBondContact O-N 3.01Å
212H88.9Confident88.5Confident48 Ų4841.2 Ų41.222%0.22221%0.205CC..Hα-helixtrans-72.6-39.7176.3-76.6102.5000113.1M178 K193 W208 M209 T210 S215M178-H212 HydrophobicContact CE-CB 4.31Å; M178-H212 HydrophobicContact SD-CB 3.91Å; K193-H212 HydrophobicContact CD-CB 4.4Å; K193-H212 WeakPolarHBondContact CD-CD2 3.3Å; K193-H212 PolarHBondContact NZ-CD2 3.5Å; W208-H212 AromaticContact CD1-CE1 3.33Å; W208-H212 AromaticContact CD1-ND1 3.58Å; W208-H212 AromaticContact CD2-ND1 3.82Å; W208-H212 AromaticContact CE2-CE1 3.67Å; W208-H212 AromaticContact CE2-ND1 3.56Å; W208-H212 AromaticContact CG-ND1 3.85Å; W208-H212 AromaticContact NE1-CE1 3.05Å; W208-H212 PolarHBondContact NE1-CE1 3.12Å; W208-H212 AromaticContact NE1-ND1 3.4Å; W208-H212 PolarHBondContact NE1-ND1 3.35Å; W208-H212 PolarHBondContact O-N 2.68Å; W208-H212 PolarHBondContact O-ND1 3.1Å; M209-H212 WeakPolarHBondContact O-CB 3.47Å; M209-H212 PolarHBondContact O-N 3.36Å; T210-H212 VanDerWaalsContact C-N 3.25Å; T210-H212 PolarHBondContact O-N 2.69Å; H212-S215 PolarHBondContact O-N 3.12Å; H212-S215 PolarHBondContact O-OG 2.79Å
213V88.3Confident88.4Confident4 Ų442 Ų422%0.02421%0.212CC..Hα-helixtrans-65.5-44.3173-164.90000110.2I121 M178 M209 T210 S215 R216 S254 V258I121-V213 HydrophobicContact CD1-CB 4.44Å; I121-V213 HydrophobicContact CD1-CG1 3.65Å; I121-V213 HydrophobicContact CD1-CG2 3.77Å; M178-V213 HydrophobicContact CE-CB 4.47Å; M178-V213 HydrophobicContact CE-CG2 3.21Å; M209-V213 WeakPolarHBondContact O-CG2 3.32Å; M209-V213 PolarHBondContact O-N 3.22Å; T210-V213 PolarHBondContact O-N 2.9Å; V213-S215 PolarHBondContact O-N 2.86Å; V213-R216 WeakPolarHBondContact O-CB 3.45Å; V213-R216 PolarHBondContact O-N 3.39Å; V213-S254 VanDerWaalsContact CG1-CB 3.48Å; V213-S254 WeakPolarHBondContact CG1-O 3.28Å; V213-V258 HydrophobicContact CG1-CG2 4.13Å
214A88.9Confident88.3Confident9 Ų947.6 Ų47.67%0.07424%0.238CC..Hα-helixtrans-59.2-34.517900000112.6T210 R216 I217 P249T210-A214 WeakPolarHBondContact O-CB 3.4Å; T210-A214 PolarHBondContact O-N 3.38Å; A214-R216 PolarHBondContact O-N 3.17Å; A214-R216 VanDerWaalsContact O-N 3.08Å; A214-I217 PolarHBondContact O-N 2.56Å; A214-P249 HydrophobicContact CB-CG 3.58Å
215S87.4Confident88.2Confident82 Ų8249.4 Ų49.457%0.57325%0.247SC*.THydrogen-bonded Turntrans-61.2-17.5176.474.90000114.1A211 H212 V213A211-S215 PolarHBondContact O-N 3.01Å; H212-S215 PolarHBondContact O-N 3.12Å; H212-S215 PolarHBondContact O-OG 2.79Å; V213-S215 PolarHBondContact O-N 2.86Å
216R83.7Confident88Confident24 Ų2449.5 Ų49.59%0.09125%0.247CC..THydrogen-bonded Turntrans-71.5-43.3173.6-168.5179.9-173.4171.64.4110.9T183 Y184 V213 A214 V258 T261T183-R216 PolarHBondContact O-NH2 2.91Å; Y184-R216 PolarHBondContact OH-O 2.85Å; V213-R216 WeakPolarHBondContact O-CB 3.45Å; V213-R216 PolarHBondContact O-N 3.39Å; A214-R216 PolarHBondContact O-N 3.17Å; A214-R216 VanDerWaalsContact O-N 3.08Å; R216-V258 VanDerWaalsContact NH1-CG2 3.27Å; R216-T261 VanDerWaalsContact CZ-CG2 3.42Å
217I89.1Confident87.8Confident7 Ų752.9 Ų52.94%0.03627%0.268CS..SBendtrans-69.4134.7-174.6-69164.4000110.7A214 T219 P249 F253 S254 F266 F268A214-I217 PolarHBondContact O-N 2.56Å; I217-T219 PolarHBondContact O-N 2.79Å; I217-P249 HydrophobicContact CD1-CB 4.26Å; I217-P249 HydrophobicContact CD1-CG 4.17Å; I217-F253 HydrophobicContact CD1-CD1 3.7Å; I217-F253 HydrophobicContact CD1-CE1 4.12Å; I217-S254 VanDerWaalsContact CD1-CA 3.44Å; I217-S254 WeakPolarHBondContact CD1-OG 3.32Å; I217-F266 HydrophobicContact CG1-CB 4.35Å; I217-F268 HydrophobicContact CG2-CB 3.8Å
218K89Confident87.6Confident75 Ų7554.7 Ų54.733%0.32628%0.278SS..EExtended strand (participates in β ladder)trans-65.3117.6171-174.6170.3-179.5164.20109.7E229 F268K218-E229 VanDerWaalsContact NZ-CD 3.26Å; K218-E229 IonicContact NZ-OE1 2.83Å; K218-E229 PolarHBondContact NZ-OE1 3.45Å; K218-F268 PolarHBondContact O-N 2.95Å
219T91.2Very high87.4Confident53 Ų5354.4 Ų54.433%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-101.9119.1176.1-59.50000110I217 R221 F268I217-T219 PolarHBondContact O-N 2.79Å; T219-R221 HydrophobicContact CG2-CG 4.24Å; T219-F268 CarbonylContact C-O 3.47Å; T219-F268 VanDerWaalsContact CA-O 3.25Å; T219-F268 WeakPolarHBondContact CA-O 3.12Å; T219-F268 HydrophobicContact CG2-CD1 3.68Å; T219-F268 HydrophobicContact CG2-CE1 4.29Å
220I91Very high87.2Confident0 Ų056.3 Ų56.30%029%0.286CS..EExtended strand (participates in β ladder)trans-96.6122.2175.7-59.6-179.8000108.2M222 Q225 L226 E229 I267 F268 V269 D270 W274I220-M222 VanDerWaalsContact CG2-O 3.23Å; I220-M222 WeakPolarHBondContact CG2-O 3.41Å; I220-Q225 HydrophobicContact CG2-CB 3.92Å; I220-L226 HydrophobicContact CD1-CD1 4.23Å; I220-L226 HydrophobicContact CG2-CB 4.18Å; I220-E229 HydrophobicContact CD1-CB 4.03Å; I220-E229 HydrophobicContact CD1-CG 4.09Å; I220-I267 HydrophobicContact CD1-CG2 3.5Å; I220-I267 HydrophobicContact CG1-CG2 3.83Å; I220-F268 PolarHBondContact N-O 2.7Å; I220-V269 HydrophobicContact CB-CG2 4.37Å; I220-D270 PolarHBondContact O-N 3.38Å; I220-W274 HydrophobicContact CG2-CZ2 4.22Å
221R88.7Confident86.8Confident147 Ų14761.1 Ų61.156%0.55531%0.307SS*.  trans-111.1-11.9175.8-66.9-174.6176.4157.41.7113.3T219 D270 W274T219-R221 HydrophobicContact CG2-CG 4.24Å; R221-D270 HydrophobicContact CG-CB 4.28Å; R221-W274 VanDerWaalsContact C-NE1 3.3Å; R221-W274 PolarHBondContact O-NE1 3.41Å
222M86.6Confident85.8Confident101 Ų10165.3 Ų65.350%0.49833%0.331SS..SBendtrans-120.7138.5-175.7-60.1-77.485.600109.8I220 Q224 Q225 L226I220-M222 VanDerWaalsContact CG2-O 3.23Å; I220-M222 WeakPolarHBondContact CG2-O 3.41Å; M222-Q224 VanDerWaalsContact C-N 3.32Å; M222-Q224 PolarHBondContact O-N 3.4Å; M222-Q225 HydrophobicContact CB-CG 4.5Å; M222-Q225 PolarHBondContact O-N 3.49Å; M222-L226 PolarHBondContact O-N 3.3Å
223S83Confident84.7Confident48 Ų4865.1 Ų65.134%0.33634%0.336SS..Hα-helixtrans-64.3-32.4-176.957.10000113.5Q225 L226 V227S223-Q225 PolarHBondContact O-N 2.87Å; S223-L226 WeakPolarHBondContact O-CB 3.13Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.13Å; S223-V227 PolarHBondContact O-N 2.93Å
224Q84.1Confident83.5Confident154 Ų15474.7 Ų74.772%0.7238%0.38SS*.Hα-helixtrans-61.9-43.4178-68.9175.7-21.600112.4M222 L226 V227 E228M222-Q224 VanDerWaalsContact C-N 3.32Å; M222-Q224 PolarHBondContact O-N 3.4Å; Q224-L226 PolarHBondContact O-N 2.68Å; Q224-V227 PolarHBondContact O-N 3.44Å; Q224-E228 PolarHBondContact O-N 3.19Å
225Q85.8Confident82.3Confident86 Ų8683 Ų8340%0.40241%0.414SS..Hα-helixtrans-64.3-29.1176.3-70.3178.2-1600112.1I220 M222 S223 E229I220-Q225 HydrophobicContact CG2-CB 3.92Å; M222-Q225 HydrophobicContact CB-CG 4.5Å; M222-Q225 PolarHBondContact O-N 3.49Å; S223-Q225 PolarHBondContact O-N 2.87Å; Q225-E229 WeakPolarHBondContact O-CB 3.28Å; Q225-E229 WeakPolarHBondContact O-CG 3.33Å; Q225-E229 PolarHBondContact O-N 2.55Å; Q225-E229 VanDerWaalsContact O-N 3.11Å
226L87.1Confident81.5Confident1 Ų181.2 Ų81.21%0.00540%0.397CS..Hα-helixtrans-67.2-43.4175.3179.964.7000111I220 M222 S223 Q224 E228 E229 W230 F241 F243 V269 W274 I283I220-L226 HydrophobicContact CD1-CD1 4.23Å; I220-L226 HydrophobicContact CG2-CB 4.18Å; M222-L226 PolarHBondContact O-N 3.3Å; S223-L226 WeakPolarHBondContact O-CB 3.13Å; S223-L226 PolarHBondContact O-N 2.94Å; S223-L226 VanDerWaalsContact O-N 3.13Å; Q224-L226 PolarHBondContact O-N 2.68Å; L226-E228 PolarHBondContact O-N 3.1Å; L226-E229 PolarHBondContact O-N 3.06Å; L226-W230 WeakPolarHBondContact O-CB 3.48Å; L226-W230 PolarHBondContact O-N 2.86Å; L226-F241 HydrophobicContact CD1-CD1 4.15Å; L226-F241 HydrophobicContact CD1-CE1 3.94Å; L226-F243 HydrophobicContact CD1-CE1 4.17Å; L226-F243 HydrophobicContact CD1-CZ 4.24Å; L226-F243 HydrophobicContact CD2-CE1 3.76Å; L226-F243 HydrophobicContact CD2-CZ 4.36Å; L226-V269 HydrophobicContact CD1-CG2 4.02Å; L226-W274 HydrophobicContact CB-CH2 3.92Å; L226-W274 HydrophobicContact CD2-CH2 3.55Å; L226-W274 HydrophobicContact CD2-CZ3 3.67Å; L226-W274 HydrophobicContact CG-CH2 4.32Å; L226-I283 HydrophobicContact CD2-CD1 3.42Å; L226-I283 VanDerWaalsContact CD2-CD1 3.42Å; L226-I283 HydrophobicContact CG-CD1 4.02Å
227V84.1Confident81.3Confident76 Ų7683.4 Ų83.446%0.46141%0.414SS..Hα-helixtrans-62-45.6179.3179.50000110.6S223 Q224 E229 W230 H231S223-V227 PolarHBondContact O-N 2.93Å; Q224-V227 PolarHBondContact O-N 3.44Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.55Å; V227-W230 PolarHBondContact O-N 3.2Å; V227-H231 PolarHBondContact O-CD2 3.34Å; V227-H231 PolarHBondContact O-N 3.01Å
228E84.9Confident81.2Confident143 Ų14383.1 Ų83.167%0.66841%0.413SS*.Hα-helixtrans-57.9-43.4175.8-68.9176.3179.200112.2Q224 L226Q224-E228 PolarHBondContact O-N 3.19Å; L226-E228 PolarHBondContact O-N 3.1Å
229E85.5Confident81.4Confident37 Ų3780 Ų8017%0.17340%0.399CS..Hα-helixtrans-80.3-22.7-179.1-74.6-58.4160.100114.8K218 I220 Q225 L226 V227 H231 K239K218-E229 VanDerWaalsContact NZ-CD 3.26Å; K218-E229 IonicContact NZ-OE1 2.83Å; K218-E229 PolarHBondContact NZ-OE1 3.45Å; I220-E229 HydrophobicContact CD1-CB 4.03Å; I220-E229 HydrophobicContact CD1-CG 4.09Å; Q225-E229 WeakPolarHBondContact O-CB 3.28Å; Q225-E229 WeakPolarHBondContact O-CG 3.33Å; Q225-E229 PolarHBondContact O-N 2.55Å; Q225-E229 VanDerWaalsContact O-N 3.11Å; L226-E229 PolarHBondContact O-N 3.06Å; V227-E229 VanDerWaalsContact C-N 3.32Å; V227-E229 PolarHBondContact O-N 2.55Å; E229-H231 VanDerWaalsContact C-N 3.3Å; E229-K239 PolarHBondContact O-NZ 3.02Å; E229-K239 IonicContact OE2-NZ 3.74Å; E229-K239 PolarHBondContact OE2-NZ 2.9Å
230W85.5Confident81.5Confident41 Ų4177.5 Ų77.516%0.15538%0.384CS..Hα-helixtrans-71.6-29.2177.5-173.2-102.9000111.9L226 V227 F241 F243 I283 I292 K294 I299L226-W230 WeakPolarHBondContact O-CB 3.48Å; L226-W230 PolarHBondContact O-N 2.86Å; V227-W230 PolarHBondContact O-N 3.2Å; W230-F241 HydrophobicContact CE3-CD2 4.27Å; W230-F241 HydrophobicContact CE3-CE1 4.41Å; W230-F241 AromaticContact CE3-CE2 3.92Å; W230-F241 HydrophobicContact CE3-CE2 3.92Å; W230-F241 AromaticContact CE3-CZ 4Å; W230-F241 HydrophobicContact CE3-CZ 4Å; W230-F241 AromaticContact CZ3-CD2 3.96Å; W230-F241 HydrophobicContact CZ3-CD2 3.96Å; W230-F241 HydrophobicContact CZ3-CE2 4.02Å; W230-F241 HydrophobicContact CZ3-CG 4.37Å; W230-F241 HydrophobicContact CZ3-CZ 4.5Å; W230-F243 HydrophobicContact CZ3-CZ 4.44Å; W230-I283 HydrophobicContact CD2-CG2 4.46Å; W230-I283 HydrophobicContact CE3-CG2 4.23Å; W230-I283 HydrophobicContact CH2-CG2 3.38Å; W230-I283 HydrophobicContact CZ2-CG2 3.61Å; W230-I283 HydrophobicContact CZ3-CG2 3.71Å; W230-I292 HydrophobicContact CH2-CG2 4.07Å; W230-I292 HydrophobicContact CZ3-CG2 4.43Å; W230-K294 HydrophobicContact CD2-CD 3.85Å; W230-K294 HydrophobicContact CE3-CD 3.98Å; W230-K294 HydrophobicContact CH2-CD 3.85Å; W230-K294 HydrophobicContact CZ2-CD 3.74Å; W230-K294 HydrophobicContact CZ3-CD 3.98Å; W230-K294 WeakPolarHBondContact O-CE 3.4Å; W230-I299 HydrophobicContact CH2-CD1 4.2Å; W230-I299 HydrophobicContact CH2-CG1 4.43Å; W230-I299 HydrophobicContact CH2-CG2 4.37Å; W230-I299 HydrophobicContact CZ2-CD1 3.54Å; W230-I299 HydrophobicContact CZ2-CG1 4.14Å
231H81.3Confident81.6Confident115 Ų11577.5 Ų77.553%0.53238%0.384SS..SBendtrans-68.5142.1171.5-71.4-61.8000111.1V227 E229 S233V227-H231 PolarHBondContact O-CD2 3.34Å; V227-H231 PolarHBondContact O-N 3.01Å; E229-H231 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 3.22Å
232P67.3Low81.8Confident120 Ų12070.5 Ų70.578%0.77936%0.357SS*.PPolyproline II helixtrans-62.7127.6-17523.8-31.4000110.7
233S67Low82Confident45 Ų4565.7 Ų65.732%0.31533%0.334SS..PPolyproline II helixtrans-101.3141.6171.266.80000110.1H231 K235 K239H231-S233 PolarHBondContact O-N 3.22Å; S233-K235 PolarHBondContact O-N 3.06Å; S233-K239 WeakPolarHBondContact OG-CE 3.28Å; S233-K239 PolarHBondContact OG-NZ 3.36Å
234E63.2Low82.4Confident205 Ų20563.4 Ų63.496%0.95832%0.318SS*.THydrogen-bonded Turntrans-66.6-20.6-177.9-67.4-179.5168.100113.6
235K63.4Low82.5Confident183 Ų18361 Ų6180%0.79631%0.305SS*.THydrogen-bonded Turntrans-77.6-36.5-172.8-69.9-175.8-179.7177.10113.9S233S233-K235 PolarHBondContact O-N 3.06Å
236H70.2Confident82.6Confident44 Ų4457.3 Ų57.320%0.20429%0.288CS..  trans-143.5105.5179.6-67.2-56.2000109.7V238 G262 E265H236-V238 VanDerWaalsContact C-N 3.29Å; H236-V238 PolarHBondContact O-N 3.4Å; H236-G262 PolarHBondContact CE1-O 3.04Å; H236-G262 PolarHBondContact ND1-O 2.81Å; H236-E265 HydrophobicContact CB-CB 4.37Å
237P78.6Confident82.4Confident71 Ų7160.8 Ų60.846%0.46132%0.317SS..SBendtrans-70-25.2-173.923.6-31.2000113.5P296P237-P296 HydrophobicContact CB-CG 3.48Å; P237-P296 VanDerWaalsContact CB-CG 3.48Å; P237-P296 WeakPolarHBondContact O-CD 3.25Å
238V88.9Confident82.5Confident1 Ų161.4 Ų61.41%0.00632%0.315CS..  trans-110.4122.3-176.6-1740000110.2H236 I264 E265 L293 K294 M295H236-V238 VanDerWaalsContact C-N 3.29Å; H236-V238 PolarHBondContact O-N 3.4Å; V238-I264 HydrophobicContact CG1-CG1 4.25Å; V238-I264 HydrophobicContact CG1-CG2 4.31Å; V238-E265 PolarHBondContact O-N 3.47Å; V238-E265 VanDerWaalsContact O-N 3.09Å; V238-L293 HydrophobicContact CG1-CD1 3.67Å; V238-L293 HydrophobicContact CG1-CG 4.34Å; V238-K294 WeakPolarHBondContact CA-O 3.5Å; V238-M295 HydrophobicContact CG1-CG 4.32Å
239K91.6Very high82.8Confident8 Ų855.1 Ų55.14%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-124.7134.5179.8-58.8-172.4177-178.60110.3E229 S233 F241 E265 I267 K294E229-K239 PolarHBondContact O-NZ 3.02Å; E229-K239 IonicContact OE2-NZ 3.74Å; E229-K239 PolarHBondContact OE2-NZ 2.9Å; S233-K239 WeakPolarHBondContact OG-CE 3.28Å; S233-K239 PolarHBondContact OG-NZ 3.36Å; K239-F241 HydrophobicContact CB-CD2 4.27Å; K239-F241 HydrophobicContact CB-CE2 3.63Å; K239-F241 HydrophobicContact CB-CZ 4.22Å; K239-F241 HydrophobicContact CD-CE2 4.26Å; K239-F241 HydrophobicContact CD-CZ 4.09Å; K239-E265 CarbonylContact C-O 3.58Å; K239-E265 WeakPolarHBondContact CA-O 3.41Å; K239-E265 WeakPolarHBondContact CE-OE2 3.38Å; K239-E265 HydrophobicContact CG-CB 4.24Å; K239-I267 HydrophobicContact CD-CD1 4.04Å; K239-K294 PolarHBondContact N-O 3.36Å; K239-K294 PolarHBondContact O-N 3.09Å
240M93.1Very high83Confident1 Ų153.5 Ų53.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-107.4115.7174.1-179.766.699.300109.4F253 I264 E265 F266 I267 L293 M315 F318 L319M240-F253 HydrophobicContact CG-CE2 3.72Å; M240-F253 HydrophobicContact CG-CZ 4.13Å; M240-I264 HydrophobicContact CB-CG2 4.01Å; M240-E265 PolarHBondContact N-O 3.35Å; M240-F266 HydrophobicContact CB-CD1 4.38Å; M240-F266 HydrophobicContact CB-CE1 4.46Å; M240-F266 HydrophobicContact CG-CD1 4.38Å; M240-F266 HydrophobicContact CG-CE1 4.32Å; M240-I267 PolarHBondContact O-N 3.49Å; M240-L293 HydrophobicContact CB-CD1 4.21Å; M240-L293 HydrophobicContact CE-CB 4.34Å; M240-L293 HydrophobicContact CE-CD1 4.12Å; M240-L293 HydrophobicContact SD-CB 4.11Å; M240-L293 HydrophobicContact SD-CD1 4.16Å; M240-M315 HydrophobicContact CE-SD 3.64Å; M240-F318 HydrophobicContact CE-CE1 4.48Å; M240-L319 HydrophobicContact CE-CD1 4.47Å; M240-L319 HydrophobicContact CE-CD2 3.71Å; M240-L319 HydrophobicContact CE-CG 4.39Å
241F93.3Very high83.2Confident0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-100.8134.1177.9-66.3-93.7000110.7L226 W230 K239 F243 I267 V269 I292 K294L226-F241 HydrophobicContact CD1-CD1 4.15Å; L226-F241 HydrophobicContact CD1-CE1 3.94Å; W230-F241 HydrophobicContact CE3-CD2 4.27Å; W230-F241 HydrophobicContact CE3-CE1 4.41Å; W230-F241 AromaticContact CE3-CE2 3.92Å; W230-F241 HydrophobicContact CE3-CE2 3.92Å; W230-F241 AromaticContact CE3-CZ 4Å; W230-F241 HydrophobicContact CE3-CZ 4Å; W230-F241 AromaticContact CZ3-CD2 3.96Å; W230-F241 HydrophobicContact CZ3-CD2 3.96Å; W230-F241 HydrophobicContact CZ3-CE2 4.02Å; W230-F241 HydrophobicContact CZ3-CG 4.37Å; W230-F241 HydrophobicContact CZ3-CZ 4.5Å; K239-F241 HydrophobicContact CB-CD2 4.27Å; K239-F241 HydrophobicContact CB-CE2 3.63Å; K239-F241 HydrophobicContact CB-CZ 4.22Å; K239-F241 HydrophobicContact CD-CE2 4.26Å; K239-F241 HydrophobicContact CD-CZ 4.09Å; F241-F243 HydrophobicContact CB-CD2 4.21Å; F241-F243 HydrophobicContact CB-CE2 3.54Å; F241-F243 HydrophobicContact CB-CZ 4.08Å; F241-F243 HydrophobicContact CD1-CZ 4.43Å; F241-F243 HydrophobicContact CG-CE2 4.31Å; F241-F243 HydrophobicContact CG-CZ 4.43Å; F241-I267 WeakPolarHBondContact CA-O 3.45Å; F241-I267 HydrophobicContact CD1-CB 3.87Å; F241-I267 HydrophobicContact CD1-CD1 4.31Å; F241-I267 HydrophobicContact CD1-CG2 3.87Å; F241-I267 HydrophobicContact CE1-CB 4.04Å; F241-I267 HydrophobicContact CE1-CD1 3.62Å; F241-I267 HydrophobicContact CE1-CG1 4.39Å; F241-I267 HydrophobicContact CE1-CG2 3.93Å; F241-I267 HydrophobicContact CZ-CD1 3.8Å; F241-V269 HydrophobicContact CD1-CG2 4.14Å; F241-I292 HydrophobicContact CB-CB 4.44Å; F241-I292 PolarHBondContact N-O 2.87Å; F241-I292 PolarHBondContact O-N 3.08Å; F241-K294 HydrophobicContact CD2-CB 4.27Å; F241-K294 HydrophobicContact CE2-CB 4Å
242L93.3Very high83.6Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-113.2111.1167.1169.854.6000109.2A244 P250 F253 I267 F268 V269 P289 Y291L242-A244 HydrophobicContact CD1-CB 4.14Å; L242-A244 HydrophobicContact CG-CB 4.32Å; L242-P250 HydrophobicContact CD2-CG 4.09Å; L242-F253 HydrophobicContact CB-CE1 4.02Å; L242-F253 HydrophobicContact CB-CE2 3.95Å; L242-F253 HydrophobicContact CB-CZ 3.68Å; L242-F253 HydrophobicContact CD2-CD1 4.19Å; L242-F253 HydrophobicContact CD2-CD2 4.38Å; L242-F253 HydrophobicContact CD2-CE1 4.45Å; L242-F253 HydrophobicContact CD2-CG 4.15Å; L242-I267 PolarHBondContact N-O 2.92Å; L242-F268 HydrophobicContact CB-CD2 4.16Å; L242-F268 HydrophobicContact CD2-CD2 3.8Å; L242-F268 HydrophobicContact CD2-CE2 4.02Å; L242-F268 HydrophobicContact CG-CD2 3.82Å; L242-F268 HydrophobicContact CG-CE2 4.05Å; L242-V269 PolarHBondContact O-N 2.71Å; L242-P289 HydrophobicContact CD1-CB 4.26Å; L242-Y291 HydrophobicContact CB-CD1 4.43Å; L242-Y291 HydrophobicContact CB-CE1 4.38Å; L242-Y291 HydrophobicContact CD1-CD1 3.84Å; L242-Y291 HydrophobicContact CD1-CD2 4.32Å; L242-Y291 HydrophobicContact CD1-CE1 3.47Å; L242-Y291 VanDerWaalsContact CD1-CE1 3.47Å; L242-Y291 HydrophobicContact CD1-CE2 3.97Å; L242-Y291 HydrophobicContact CD1-CG 4.24Å; L242-Y291 HydrophobicContact CD2-CE1 3.95Å; L242-Y291 HydrophobicContact CG-CE1 4.13Å
243F91.1Very high84.7Confident0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-92.6114.2171.3-61.6-90.6000108.6L226 W230 F241 V269 V271 L280 I283 V285 L288 P289 S290 I292L226-F243 HydrophobicContact CD1-CE1 4.17Å; L226-F243 HydrophobicContact CD1-CZ 4.24Å; L226-F243 HydrophobicContact CD2-CE1 3.76Å; L226-F243 HydrophobicContact CD2-CZ 4.36Å; W230-F243 HydrophobicContact CZ3-CZ 4.44Å; F241-F243 HydrophobicContact CB-CD2 4.21Å; F241-F243 HydrophobicContact CB-CE2 3.54Å; F241-F243 HydrophobicContact CB-CZ 4.08Å; F241-F243 HydrophobicContact CD1-CZ 4.43Å; F241-F243 HydrophobicContact CG-CE2 4.31Å; F241-F243 HydrophobicContact CG-CZ 4.43Å; F243-V269 HydrophobicContact CD1-CB 3.7Å; F243-V269 HydrophobicContact CD1-CG1 3.77Å; F243-V269 HydrophobicContact CD1-CG2 4.02Å; F243-V269 HydrophobicContact CE1-CB 3.98Å; F243-V269 HydrophobicContact CE1-CG1 3.94Å; F243-V269 HydrophobicContact CE1-CG2 3.82Å; F243-V269 HydrophobicContact CG-CB 4.36Å; F243-V269 HydrophobicContact CZ-CG2 4.28Å; F243-V271 HydrophobicContact CB-CG2 4.31Å; F243-V271 HydrophobicContact CD1-CG2 4.38Å; F243-L280 HydrophobicContact CD1-CD2 3.86Å; F243-L280 HydrophobicContact CE1-CD2 4.09Å; F243-I283 HydrophobicContact CZ-CG2 4.3Å; F243-V285 HydrophobicContact CB-CG1 4.44Å; F243-V285 HydrophobicContact CD1-CG2 4.38Å; F243-V285 HydrophobicContact CD2-CG2 3.96Å; F243-V285 HydrophobicContact CE1-CG2 4.47Å; F243-V285 HydrophobicContact CE2-CG2 4.07Å; F243-V285 HydrophobicContact CG-CG2 4.13Å; F243-V285 HydrophobicContact CZ-CG2 4.32Å; F243-L288 HydrophobicContact CB-CD2 3.68Å; F243-P289 CarbonylContact O-C 3.53Å; F243-P289 WeakPolarHBondContact O-CA 3.33Å; F243-P289 VanDerWaalsContact O-CB 3.24Å; F243-P289 WeakPolarHBondContact O-CB 3.4Å; F243-S290 PolarHBondContact N-O 3.31Å; F243-S290 PolarHBondContact O-N 3.21Å; F243-I292 HydrophobicContact CD2-CD1 4.15Å; F243-I292 HydrophobicContact CD2-CG1 4.3Å; F243-I292 HydrophobicContact CE2-CB 4.23Å; F243-I292 HydrophobicContact CE2-CD1 3.85Å; F243-I292 HydrophobicContact CE2-CG1 4.18Å
244A90.3Very high85.9Confident0 Ų038.5 Ų38.50%020%0.196CC..EExtended strand (participates in β ladder)trans-149.1159.8178.900000112.5L242 L246 F268 V269 V271 P289L242-A244 HydrophobicContact CD1-CB 4.14Å; L242-A244 HydrophobicContact CG-CB 4.32Å; A244-L246 VanDerWaalsContact C-N 3.28Å; A244-L246 HydrophobicContact CB-CB 4.33Å; A244-L246 HydrophobicContact CB-CD1 3.95Å; A244-L246 HydrophobicContact CB-CG 4Å; A244-L246 PolarHBondContact O-N 3.05Å; A244-F268 HydrophobicContact CB-CE2 4.01Å; A244-V269 PolarHBondContact N-O 2.87Å; A244-V269 VanDerWaalsContact N-O 3.15Å; A244-V271 PolarHBondContact O-N 3.01Å; A244-V271 VanDerWaalsContact O-N 3.08Å; A244-P289 HydrophobicContact CB-CB 3.74Å
245K87.8Confident87.2Confident105 Ų10529.2 Ų29.246%0.45716%0.155SC..SBendtrans-93.253.8170.3-65.5-176.6-179.9-179.80110.5Q272 L288K245-Q272 HydrophobicContact CB-CG 3.99Å; K245-Q272 PolarHBondContact O-NE2 3.18Å; K245-L288 HydrophobicContact CD-CD1 4.48Å; K245-L288 HydrophobicContact CG-CD1 4.31Å
246L86.7Confident88.5Confident8 Ų820.6 Ų20.64%0.04212%0.117CC..  trans-118.7143.3-177.5-65.7171.3000110.8L57 L71 K74 A244 Q248 P250 F268L57-L246 HydrophobicContact CD1-CD2 4.44Å; L57-L246 HydrophobicContact CD2-CD1 4.36Å; L71-L246 HydrophobicContact CD1-CD2 3.93Å; K74-L246 HydrophobicContact CB-CD2 4.32Å; A244-L246 VanDerWaalsContact C-N 3.28Å; A244-L246 HydrophobicContact CB-CB 4.33Å; A244-L246 HydrophobicContact CB-CD1 3.95Å; A244-L246 HydrophobicContact CB-CG 4Å; A244-L246 PolarHBondContact O-N 3.05Å; L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 2.82Å; L246-P250 HydrophobicContact CD1-CG 4.1Å; L246-F268 HydrophobicContact CB-CZ 4.03Å; L246-F268 VanDerWaalsContact O-CZ 3.3Å; L246-F268 WeakPolarHBondContact O-CZ 3.38Å
247A83.1Confident89.4Confident74 Ų7418.8 Ų18.861%0.61211%0.109SC*.SBendtrans-71.3-25.4178.500000113.1
248Q86.4Confident89.8Confident89 Ų8915.5 Ų15.542%0.4169%0.088SC..SBendtrans-142.6149.7178-67.2-175.1-6.300109.3L246L246-Q248 VanDerWaalsContact C-N 3.28Å; L246-Q248 PolarHBondContact O-N 2.82Å
249P90.6Very high89.7Confident11 Ų1118.6 Ų18.67%0.07110%0.102CC..  trans-64.2148174.626.8-34.1000111.1A214 I217 F253 F268A214-P249 HydrophobicContact CB-CG 3.58Å; I217-P249 HydrophobicContact CD1-CB 4.26Å; I217-P249 HydrophobicContact CD1-CG 4.17Å; P249-F253 HydrophobicContact CB-CD1 4.34Å; P249-F268 HydrophobicContact CB-CB 4.2Å; P249-F268 HydrophobicContact CB-CD1 4.28Å; P249-F268 HydrophobicContact CB-CD2 3.98Å; P249-F268 HydrophobicContact CB-CE2 4.48Å; P249-F268 HydrophobicContact CB-CG 3.89Å; P249-F268 HydrophobicContact CG-CD1 4.44Å; P249-F268 HydrophobicContact CG-CG 4.41Å
250P90.8Very high89.5Confident2 Ų218.2 Ų18.21%0.01310%0.1CC..  trans-55.3147.7172.6-24.733.9000112.8R55 L57 L242 L246 F252 F253 S254R55-P250 WeakPolarHBondContact O-CB 3.48Å; L57-P250 HydrophobicContact CD2-CB 4.25Å; L57-P250 HydrophobicContact CD2-CG 4.23Å; L242-P250 HydrophobicContact CD2-CG 4.09Å; L246-P250 HydrophobicContact CD1-CG 4.1Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 HydrophobicContact CB-CD1 3.65Å; P250-F252 HydrophobicContact CB-CE1 3.44Å; P250-F252 VanDerWaalsContact CB-CE1 3.44Å; P250-F252 HydrophobicContact CB-CZ 4.32Å; P250-F252 HydrophobicContact CG-CE1 4.05Å; P250-F252 PolarHBondContact O-N 2.83Å; P250-F253 HydrophobicContact CB-CB 4.4Å; P250-F253 PolarHBondContact O-N 3.43Å; P250-S254 PolarHBondContact O-N 2.76Å; P250-S254 VanDerWaalsContact O-N 3.11Å; P250-S254 PolarHBondContact O-OG 2.97Å
251A89Confident89.1Confident5 Ų519.7 Ų19.74%0.04111%0.109CC..Hα-helixtrans-63.8-38.5-177.700000112.6G56 F150 F206 T210 F253 S254 A255G56-A251 WeakPolarHBondContact O-CB 3.37Å; G56-A251 PolarHBondContact O-N 3.09Å; F150-A251 HydrophobicContact CD1-CB 4.18Å; F150-A251 HydrophobicContact CE1-CB 4.09Å; F150-A251 HydrophobicContact CZ-CB 4.36Å; F206-A251 HydrophobicContact CZ-CB 4.23Å; T210-A251 HydrophobicContact CG2-CB 3.52Å; A251-F253 VanDerWaalsContact C-N 3.32Å; A251-F253 PolarHBondContact O-N 2.94Å; A251-S254 CarbonylContact O-C 3.53Å; A251-S254 WeakPolarHBondContact O-CB 3.39Å; A251-S254 PolarHBondContact O-N 2.82Å; A251-A255 WeakPolarHBondContact O-CB 3.27Å; A251-A255 PolarHBondContact O-N 3.36Å
252F89.4Confident88.5Confident1 Ų121.4 Ų21.40%0.00413%0.126CC..Hα-helixtrans-62.1-41178.478.4-92.1000111.7R55 F150 P250 S254 A255 L256 Y291 I310 L312R55-F252 VanDerWaalsContact O-CD1 3.28Å; R55-F252 WeakPolarHBondContact O-CD1 3.48Å; F150-F252 HydrophobicContact CD1-CB 3.92Å; F150-F252 HydrophobicContact CE1-CB 4.19Å; P250-F252 VanDerWaalsContact C-N 3.34Å; P250-F252 HydrophobicContact CB-CD1 3.65Å; P250-F252 HydrophobicContact CB-CE1 3.44Å; P250-F252 VanDerWaalsContact CB-CE1 3.44Å; P250-F252 HydrophobicContact CB-CZ 4.32Å; P250-F252 HydrophobicContact CG-CE1 4.05Å; P250-F252 PolarHBondContact O-N 2.83Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 2.76Å; F252-A255 PolarHBondContact O-N 2.87Å; F252-L256 HydrophobicContact CD2-CD1 4.1Å; F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.46Å; F252-L256 PolarHBondContact O-N 2.91Å; F252-Y291 HydrophobicContact CE2-CE1 4.46Å; F252-Y291 HydrophobicContact CZ-CE1 4.09Å; F252-Y291 AromaticContact CZ-CZ 4Å; F252-Y291 WeakPolarHBondContact CZ-OH 3.45Å; F252-I310 HydrophobicContact CE1-CG2 3.93Å; F252-I310 HydrophobicContact CZ-CG2 3.58Å; F252-L312 HydrophobicContact CB-CB 4.01Å; F252-L312 HydrophobicContact CB-CD1 3.84Å; F252-L312 HydrophobicContact CB-CG 4.5Å
253F91.8Very high88.1Confident1 Ų123.5 Ų23.50%0.00413%0.134CC..Hα-helixtrans-63.7-40.1177.2-171-102.3000110.9I217 M240 L242 P249 P250 A251 L256 S257 F266 Y291I217-F253 HydrophobicContact CD1-CD1 3.7Å; I217-F253 HydrophobicContact CD1-CE1 4.12Å; M240-F253 HydrophobicContact CG-CE2 3.72Å; M240-F253 HydrophobicContact CG-CZ 4.13Å; L242-F253 HydrophobicContact CB-CE1 4.02Å; L242-F253 HydrophobicContact CB-CE2 3.95Å; L242-F253 HydrophobicContact CB-CZ 3.68Å; L242-F253 HydrophobicContact CD2-CD1 4.19Å; L242-F253 HydrophobicContact CD2-CD2 4.38Å; L242-F253 HydrophobicContact CD2-CE1 4.45Å; L242-F253 HydrophobicContact CD2-CG 4.15Å; P249-F253 HydrophobicContact CB-CD1 4.34Å; P250-F253 HydrophobicContact CB-CB 4.4Å; P250-F253 PolarHBondContact O-N 3.43Å; A251-F253 VanDerWaalsContact C-N 3.32Å; A251-F253 PolarHBondContact O-N 2.94Å; F253-L256 PolarHBondContact O-N 3.49Å; F253-S257 PolarHBondContact O-N 2.96Å; F253-F266 HydrophobicContact CD1-CD1 4.18Å; F253-F266 AromaticContact CD2-CD1 3.9Å; F253-F266 HydrophobicContact CD2-CD1 3.9Å; F253-F266 HydrophobicContact CD2-CE1 4.14Å; F253-F266 HydrophobicContact CE1-CB 4.05Å; F253-F266 AromaticContact CE1-CD1 3.83Å; F253-F266 HydrophobicContact CE1-CD1 3.83Å; F253-F266 HydrophobicContact CE1-CG 4.45Å; F253-F266 AromaticContact CE2-CD1 3.55Å; F253-F266 HydrophobicContact CE2-CD1 3.55Å; F253-F266 AromaticContact CE2-CE1 3.98Å; F253-F266 HydrophobicContact CE2-CE1 3.98Å; F253-F266 HydrophobicContact CG-CD1 4.22Å; F253-F266 HydrophobicContact CZ-CB 4.15Å; F253-F266 AromaticContact CZ-CD1 3.51Å; F253-F266 HydrophobicContact CZ-CD1 3.51Å; F253-F266 HydrophobicContact CZ-CE1 4.38Å; F253-F266 HydrophobicContact CZ-CG 4.27Å; F253-Y291 HydrophobicContact CD2-CD1 4.41Å; F253-Y291 HydrophobicContact CD2-CE1 4.1Å; F253-Y291 HydrophobicContact CE2-CD1 4.35Å; F253-Y291 HydrophobicContact CE2-CE1 4.44Å
254S90.9Very high88Confident0 Ų023.7 Ų23.70%014%0.136CC..Hα-helixtrans-65.7-41.4175.3-50.70000112.7V213 I217 P250 A251 F252 S257V213-S254 VanDerWaalsContact CG1-CB 3.48Å; V213-S254 WeakPolarHBondContact CG1-O 3.28Å; I217-S254 VanDerWaalsContact CD1-CA 3.44Å; I217-S254 WeakPolarHBondContact CD1-OG 3.32Å; P250-S254 PolarHBondContact O-N 2.76Å; P250-S254 VanDerWaalsContact O-N 3.11Å; P250-S254 PolarHBondContact O-OG 2.97Å; A251-S254 CarbonylContact O-C 3.53Å; A251-S254 WeakPolarHBondContact O-CB 3.39Å; A251-S254 PolarHBondContact O-N 2.82Å; F252-S254 VanDerWaalsContact C-N 3.29Å; F252-S254 PolarHBondContact O-N 2.76Å; S254-S257 WeakPolarHBondContact O-CB 3.4Å; S254-S257 PolarHBondContact O-N 2.72Å; S254-S257 PolarHBondContact O-OG 3.09Å
255A90.4Very high88Confident10 Ų1025.1 Ų25.18%0.08314%0.142CC..Hα-helixtrans-65.6-42.2176.100000112I121 F150 A251 F252 S257 V258 K259 L312I121-A255 HydrophobicContact CD1-CB 4.48Å; F150-A255 HydrophobicContact CB-CB 4.31Å; F150-A255 VanDerWaalsContact O-CB 3.32Å; F150-A255 WeakPolarHBondContact O-CB 3.29Å; A251-A255 WeakPolarHBondContact O-CB 3.27Å; A251-A255 PolarHBondContact O-N 3.36Å; F252-A255 PolarHBondContact O-N 2.87Å; A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.37Å; A255-V258 WeakPolarHBondContact O-CB 3.13Å; A255-V258 PolarHBondContact O-N 3.27Å; A255-K259 PolarHBondContact O-N 3.46Å; A255-L312 HydrophobicContact CB-CD1 4.16Å
256L90.4Very high88.2Confident2 Ų220.2 Ų20.21%0.0112%0.121CC..Hα-helixtrans-60.6-36.5176.1-70.6170.2000112.3F252 F253 V258 K259 F260 F266 L312 M315 D316F252-L256 HydrophobicContact CD2-CD1 4.1Å; F252-L256 VanDerWaalsContact O-CG 3.29Å; F252-L256 WeakPolarHBondContact O-CG 3.46Å; F252-L256 PolarHBondContact O-N 2.91Å; F253-L256 PolarHBondContact O-N 3.49Å; L256-V258 PolarHBondContact O-N 2.92Å; L256-V258 VanDerWaalsContact O-N 3.14Å; L256-K259 PolarHBondContact O-N 3.2Å; L256-F260 HydrophobicContact CD2-CE2 4.13Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 3.35Å; L256-F260 VanDerWaalsContact O-N 3.08Å; L256-F266 HydrophobicContact CB-CE1 3.73Å; L256-F266 HydrophobicContact CB-CZ 3.77Å; L256-L312 HydrophobicContact CD2-CG 4.46Å; L256-L312 HydrophobicContact CG-CD1 4.39Å; L256-M315 HydrophobicContact CD1-CB 3.88Å; L256-M315 HydrophobicContact CD1-CG 3.53Å; L256-D316 HydrophobicContact CD2-CB 3.95Å
257S89.8Confident88.5Confident5 Ų519.9 Ų19.94%0.03512%0.119CC..Hα-helixtrans-58.6-27.2174.882.70000113.3F253 S254 A255 T261F253-S257 PolarHBondContact O-N 2.96Å; S254-S257 WeakPolarHBondContact O-CB 3.4Å; S254-S257 PolarHBondContact O-N 2.72Å; S254-S257 PolarHBondContact O-OG 3.09Å; A255-S257 VanDerWaalsContact C-N 3.28Å; A255-S257 PolarHBondContact O-N 3.37Å; S257-T261 WeakPolarHBondContact O-CG2 3.47Å
258V87.4Confident89Confident3 Ų316.4 Ų16.42%0.0189%0.09CC..Hα-helixtrans-80.8-29.2177.1-179.30000112.4I121 P181 V213 R216 A255 L256 T261I121-V258 HydrophobicContact CD1-CB 4.23Å; I121-V258 HydrophobicContact CD1-CG2 3.71Å; I121-V258 HydrophobicContact CG1-CB 4.12Å; I121-V258 HydrophobicContact CG1-CG1 3.91Å; I121-V258 HydrophobicContact CG1-CG2 3.84Å; P181-V258 HydrophobicContact CG-CG1 3.82Å; V213-V258 HydrophobicContact CG1-CG2 4.13Å; R216-V258 VanDerWaalsContact NH1-CG2 3.27Å; A255-V258 WeakPolarHBondContact O-CB 3.13Å; A255-V258 PolarHBondContact O-N 3.27Å; L256-V258 PolarHBondContact O-N 2.92Å; L256-V258 VanDerWaalsContact O-N 3.14Å; V258-T261 WeakPolarHBondContact O-CG2 3.3Å
259K86.9Confident89.2Confident66 Ų6612.1 Ų12.129%0.2877%0.07SC..Hα-helixtrans-79.8-35-179.3-173.3172.2-178.81770113.1A255 L256 D316A255-K259 PolarHBondContact O-N 3.46Å; L256-K259 PolarHBondContact O-N 3.2Å; K259-D316 VanDerWaalsContact CD-OD1 3.27Å; K259-D316 WeakPolarHBondContact CD-OD1 3.43Å; K259-D316 WeakPolarHBondContact CE-OD1 3.43Å; K259-D316 IonicContact NZ-OD1 3.06Å; K259-D316 PolarHBondContact NZ-OD1 3.28Å; K259-D316 IonicContact NZ-OD2 3.99Å; K259-D316 PolarHBondContact NZ-OD2 2.93Å
260F87.7Confident89.2Confident0 Ų012.2 Ų12.20%07%0.07CC..THydrogen-bonded Turntrans-99.825.5-177-71.3-92000113L256 G262 R263 I264 F266 D316 L319 R320L256-F260 HydrophobicContact CD2-CE2 4.13Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 3.35Å; L256-F260 VanDerWaalsContact O-N 3.08Å; F260-G262 PolarHBondContact O-N 2.86Å; F260-R263 VanDerWaalsContact CD1-CZ 3.41Å; F260-R263 VanDerWaalsContact CD1-NH1 3.27Å; F260-R263 VanDerWaalsContact CD1-NH2 3.27Å; F260-R263 PolarHBondContact O-N 2.84Å; F260-I264 HydrophobicContact CB-CB 4.08Å; F260-I264 HydrophobicContact CB-CD1 4.38Å; F260-I264 HydrophobicContact CB-CG1 4.32Å; F260-I264 HydrophobicContact CD1-CD1 3.67Å; F260-I264 HydrophobicContact CD1-CG1 4.24Å; F260-I264 HydrophobicContact CE1-CD1 4.23Å; F260-I264 HydrophobicContact CG-CD1 4.16Å; F260-I264 PolarHBondContact O-N 2.88Å; F260-F266 HydrophobicContact CB-CE2 3.95Å; F260-F266 HydrophobicContact CD2-CZ 4.47Å; F260-D316 WeakPolarHBondContact CE2-OD1 3.39Å; F260-L319 HydrophobicContact CD1-CB 4.34Å; F260-L319 HydrophobicContact CD2-CD1 4.24Å; F260-L319 HydrophobicContact CE1-CB 3.6Å; F260-L319 HydrophobicContact CE2-CB 3.87Å; F260-L319 HydrophobicContact CE2-CD1 4.04Å; F260-L319 HydrophobicContact CZ-CB 3.33Å; F260-L319 HydrophobicContact CZ-CD1 4.35Å; F260-L319 HydrophobicContact CZ-CG 4.5Å; F260-R320 HydrophobicContact CE1-CG 4.36Å; F260-R320 HydrophobicContact CZ-CG 3.91Å
261T84.7Confident89Confident31 Ų3112.5 Ų12.519%0.197%0.071CC..THydrogen-bonded Turntrans-61.1128.6-174.155.20000111.6R216 S257 V258 R263R216-T261 VanDerWaalsContact CZ-CG2 3.42Å; S257-T261 WeakPolarHBondContact O-CG2 3.47Å; V258-T261 WeakPolarHBondContact O-CG2 3.3Å; T261-R263 PolarHBondContact O-N 3.38Å
262G80.3Confident88.7Confident36 Ų3617.5 Ų17.537%0.3719%0.094SC..THydrogen-bonded Turntrans81.3-10.5-177.700000114.6H236 F260H236-G262 PolarHBondContact CE1-O 3.04Å; H236-G262 PolarHBondContact ND1-O 2.81Å; F260-G262 PolarHBondContact O-N 2.86Å
263R84.8Confident88.1Confident44 Ų4420.5 Ų20.517%0.16612%0.115CC..THydrogen-bonded Turntrans-103.8-44.6177.1-63.5-170.6-72.9126.9-2.2112.5F260 T261 Q323 E325F260-R263 VanDerWaalsContact CD1-CZ 3.41Å; F260-R263 VanDerWaalsContact CD1-NH1 3.27Å; F260-R263 VanDerWaalsContact CD1-NH2 3.27Å; F260-R263 PolarHBondContact O-N 2.84Å; T261-R263 PolarHBondContact O-N 3.38Å; R263-Q323 HydrophobicContact CB-CG 4.31Å; R263-Q323 PolarHBondContact NH1-O 2.99Å; R263-E325 VanDerWaalsContact CZ-CG 3.45Å; R263-E325 IonicContact CZ-OE1 2.83Å; R263-E325 IonicContact NE-OE1 2.81Å; R263-E325 PolarHBondContact NE-OE1 3.44Å; R263-E325 IonicContact NH1-OE1 3.83Å; R263-E325 IonicContact NH2-OE1 2.77Å; R263-E325 PolarHBondContact NH2-OE1 3.27Å
264I89.3Confident87.6Confident5 Ų521.8 Ų21.83%0.02612%0.12CC..  trans-131.6128.9-179.3-54.6177.7000108.6V238 M240 F260 F266 L319 Q323V238-I264 HydrophobicContact CG1-CG1 4.25Å; V238-I264 HydrophobicContact CG1-CG2 4.31Å; M240-I264 HydrophobicContact CB-CG2 4.01Å; F260-I264 HydrophobicContact CB-CB 4.08Å; F260-I264 HydrophobicContact CB-CD1 4.38Å; F260-I264 HydrophobicContact CB-CG1 4.32Å; F260-I264 HydrophobicContact CD1-CD1 3.67Å; F260-I264 HydrophobicContact CD1-CG1 4.24Å; F260-I264 HydrophobicContact CE1-CD1 4.23Å; F260-I264 HydrophobicContact CG-CD1 4.16Å; F260-I264 PolarHBondContact O-N 2.88Å; I264-F266 HydrophobicContact CB-CD2 4.49Å; I264-F266 HydrophobicContact CB-CE2 3.97Å; I264-F266 HydrophobicContact CG2-CD2 4.15Å; I264-F266 HydrophobicContact CG2-CE2 3.79Å; I264-F266 HydrophobicContact CG2-CZ 4.46Å; I264-L319 HydrophobicContact CD1-CB 4.18Å; I264-L319 HydrophobicContact CD1-CD1 4.44Å; I264-L319 HydrophobicContact CD1-CD2 3.67Å; I264-L319 HydrophobicContact CD1-CG 4.31Å; I264-Q323 HydrophobicContact CD1-CB 4.38Å
265E89.4Confident86.4Confident29 Ų2929.1 Ų29.114%0.13616%0.159CC..EExtended strand (participates in β ladder)trans-89125.8173.4-172.8174.5-158.900110.2H236 V238 K239 M240 I267H236-E265 HydrophobicContact CB-CB 4.37Å; V238-E265 PolarHBondContact O-N 3.47Å; V238-E265 VanDerWaalsContact O-N 3.09Å; K239-E265 CarbonylContact C-O 3.58Å; K239-E265 WeakPolarHBondContact CA-O 3.41Å; K239-E265 WeakPolarHBondContact CE-OE2 3.38Å; K239-E265 HydrophobicContact CG-CB 4.24Å; M240-E265 PolarHBondContact N-O 3.35Å; E265-I267 HydrophobicContact CG-CD1 4.44Å; E265-I267 HydrophobicContact CG-CG1 4.19Å
266F92.3Very high85.2Confident3 Ų333.9 Ų33.91%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-98.5128.5178.7-75.1-112.7000109.5I217 M240 F253 L256 F260 I264 L319I217-F266 HydrophobicContact CG1-CB 4.35Å; M240-F266 HydrophobicContact CB-CD1 4.38Å; M240-F266 HydrophobicContact CB-CE1 4.46Å; M240-F266 HydrophobicContact CG-CD1 4.38Å; M240-F266 HydrophobicContact CG-CE1 4.32Å; F253-F266 HydrophobicContact CD1-CD1 4.18Å; F253-F266 AromaticContact CD2-CD1 3.9Å; F253-F266 HydrophobicContact CD2-CD1 3.9Å; F253-F266 HydrophobicContact CD2-CE1 4.14Å; F253-F266 HydrophobicContact CE1-CB 4.05Å; F253-F266 AromaticContact CE1-CD1 3.83Å; F253-F266 HydrophobicContact CE1-CD1 3.83Å; F253-F266 HydrophobicContact CE1-CG 4.45Å; F253-F266 AromaticContact CE2-CD1 3.55Å; F253-F266 HydrophobicContact CE2-CD1 3.55Å; F253-F266 AromaticContact CE2-CE1 3.98Å; F253-F266 HydrophobicContact CE2-CE1 3.98Å; F253-F266 HydrophobicContact CG-CD1 4.22Å; F253-F266 HydrophobicContact CZ-CB 4.15Å; F253-F266 AromaticContact CZ-CD1 3.51Å; F253-F266 HydrophobicContact CZ-CD1 3.51Å; F253-F266 HydrophobicContact CZ-CE1 4.38Å; F253-F266 HydrophobicContact CZ-CG 4.27Å; L256-F266 HydrophobicContact CB-CE1 3.73Å; L256-F266 HydrophobicContact CB-CZ 3.77Å; F260-F266 HydrophobicContact CB-CE2 3.95Å; F260-F266 HydrophobicContact CD2-CZ 4.47Å; I264-F266 HydrophobicContact CB-CD2 4.49Å; I264-F266 HydrophobicContact CB-CE2 3.97Å; I264-F266 HydrophobicContact CG2-CD2 4.15Å; I264-F266 HydrophobicContact CG2-CE2 3.79Å; I264-F266 HydrophobicContact CG2-CZ 4.46Å; F266-L319 HydrophobicContact CE1-CD1 4.3Å; F266-L319 HydrophobicContact CZ-CD1 3.68Å
267I92.7Very high84.1Confident0 Ų038.8 Ų38.80%021%0.209CC..EExtended strand (participates in β ladder)trans-129.6127-177.5-58.1177.8000108.6I220 K239 M240 F241 L242 E265 V269I220-I267 HydrophobicContact CD1-CG2 3.5Å; I220-I267 HydrophobicContact CG1-CG2 3.83Å; K239-I267 HydrophobicContact CD-CD1 4.04Å; M240-I267 PolarHBondContact O-N 3.49Å; F241-I267 WeakPolarHBondContact CA-O 3.45Å; F241-I267 HydrophobicContact CD1-CB 3.87Å; F241-I267 HydrophobicContact CD1-CD1 4.31Å; F241-I267 HydrophobicContact CD1-CG2 3.87Å; F241-I267 HydrophobicContact CE1-CB 4.04Å; F241-I267 HydrophobicContact CE1-CD1 3.62Å; F241-I267 HydrophobicContact CE1-CG1 4.39Å; F241-I267 HydrophobicContact CE1-CG2 3.93Å; F241-I267 HydrophobicContact CZ-CD1 3.8Å; L242-I267 PolarHBondContact N-O 2.92Å; E265-I267 HydrophobicContact CG-CD1 4.44Å; E265-I267 HydrophobicContact CG-CG1 4.19Å; I267-V269 HydrophobicContact CG2-CG2 4.34Å
268F93.8Very high83.1Confident1 Ų142.6 Ų42.60%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-101.1126.3174.8178.9-118000109.5I217 K218 T219 I220 L242 A244 L246 P249 D270I217-F268 HydrophobicContact CG2-CB 3.8Å; K218-F268 PolarHBondContact O-N 2.95Å; T219-F268 CarbonylContact C-O 3.47Å; T219-F268 VanDerWaalsContact CA-O 3.25Å; T219-F268 WeakPolarHBondContact CA-O 3.12Å; T219-F268 HydrophobicContact CG2-CD1 3.68Å; T219-F268 HydrophobicContact CG2-CE1 4.29Å; I220-F268 PolarHBondContact N-O 2.7Å; L242-F268 HydrophobicContact CB-CD2 4.16Å; L242-F268 HydrophobicContact CD2-CD2 3.8Å; L242-F268 HydrophobicContact CD2-CE2 4.02Å; L242-F268 HydrophobicContact CG-CD2 3.82Å; L242-F268 HydrophobicContact CG-CE2 4.05Å; A244-F268 HydrophobicContact CB-CE2 4.01Å; L246-F268 HydrophobicContact CB-CZ 4.03Å; L246-F268 VanDerWaalsContact O-CZ 3.3Å; L246-F268 WeakPolarHBondContact O-CZ 3.38Å; P249-F268 HydrophobicContact CB-CB 4.2Å; P249-F268 HydrophobicContact CB-CD1 4.28Å; P249-F268 HydrophobicContact CB-CD2 3.98Å; P249-F268 HydrophobicContact CB-CE2 4.48Å; P249-F268 HydrophobicContact CB-CG 3.89Å; P249-F268 HydrophobicContact CG-CD1 4.44Å; P249-F268 HydrophobicContact CG-CG 4.41Å; F268-D270 HydrophobicContact CE1-CB 4.07Å
269V91.5Very high82.3Confident0 Ų043.5 Ų43.50%024%0.238CC..EExtended strand (participates in β ladder)trans-111.1110.7178.3-172.80000108I220 L226 F241 L242 F243 A244 I267 V271 W274I220-V269 HydrophobicContact CB-CG2 4.37Å; L226-V269 HydrophobicContact CD1-CG2 4.02Å; F241-V269 HydrophobicContact CD1-CG2 4.14Å; L242-V269 PolarHBondContact O-N 2.71Å; F243-V269 HydrophobicContact CD1-CB 3.7Å; F243-V269 HydrophobicContact CD1-CG1 3.77Å; F243-V269 HydrophobicContact CD1-CG2 4.02Å; F243-V269 HydrophobicContact CE1-CB 3.98Å; F243-V269 HydrophobicContact CE1-CG1 3.94Å; F243-V269 HydrophobicContact CE1-CG2 3.82Å; F243-V269 HydrophobicContact CG-CB 4.36Å; F243-V269 HydrophobicContact CZ-CG2 4.28Å; A244-V269 PolarHBondContact N-O 2.87Å; A244-V269 VanDerWaalsContact N-O 3.15Å; I267-V269 HydrophobicContact CG2-CG2 4.34Å; V269-V271 HydrophobicContact CG1-CG2 4.18Å; V269-V271 PolarHBondContact O-N 3.34Å; V269-W274 HydrophobicContact CG1-CH2 3.39Å; V269-W274 HydrophobicContact CG1-CZ2 3.62Å; V269-W274 HydrophobicContact CG1-CZ3 4.05Å
270D90.1Very high81.9Confident13 Ų1340.7 Ų40.77%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-84.6109.6176.1-179.95.8000109.3I220 R221 F268 Q272 W274I220-D270 PolarHBondContact O-N 3.38Å; R221-D270 HydrophobicContact CG-CB 4.28Å; F268-D270 HydrophobicContact CE1-CB 4.07Å; D270-Q272 VanDerWaalsContact OD1-CB 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.09Å; D270-Q272 VanDerWaalsContact OD1-CG 3.27Å; D270-Q272 WeakPolarHBondContact OD1-CG 3.31Å; D270-Q272 PolarHBondContact OD1-N 3.08Å; D270-W274 PolarHBondContact O-NE1 2.9Å; D270-W274 VanDerWaalsContact O-NE1 3.14Å
271V85.9Confident81.3Confident7 Ų746.7 Ų46.74%0.04225%0.254CS..  trans-95.82.7-176.1-1690000111.3F243 A244 V269 S273 W274 L280 L288F243-V271 HydrophobicContact CB-CG2 4.31Å; F243-V271 HydrophobicContact CD1-CG2 4.38Å; A244-V271 PolarHBondContact O-N 3.01Å; A244-V271 VanDerWaalsContact O-N 3.08Å; V269-V271 HydrophobicContact CG1-CG2 4.18Å; V269-V271 PolarHBondContact O-N 3.34Å; V271-S273 VanDerWaalsContact C-N 3.26Å; V271-S273 PolarHBondContact O-N 2.99Å; V271-W274 HydrophobicContact CG1-CB 4.08Å; V271-W274 HydrophobicContact CG1-CG 4.39Å; V271-W274 PolarHBondContact O-N 2.86Å; V271-L280 HydrophobicContact CG1-CD1 3.58Å; V271-L288 HydrophobicContact CB-CD1 4.38Å; V271-L288 HydrophobicContact CG1-CD1 3.94Å; V271-L288 HydrophobicContact CG2-CD2 4.23Å
272Q83.1Confident80.7Confident110 Ų11053.3 Ų53.351%0.51428%0.283SS..THydrogen-bonded Turntrans-61-34.7-177.8-69-1750.800113K245 D270K245-Q272 HydrophobicContact CB-CG 3.99Å; K245-Q272 PolarHBondContact O-NE2 3.18Å; D270-Q272 VanDerWaalsContact OD1-CB 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.09Å; D270-Q272 VanDerWaalsContact OD1-CG 3.27Å; D270-Q272 WeakPolarHBondContact OD1-CG 3.31Å; D270-Q272 PolarHBondContact OD1-N 3.08Å
273S77.6Confident80.5Confident65 Ų6552.8 Ų52.846%0.45527%0.271SS..THydrogen-bonded Turntrans-100.615.8-176.261.90000114.1V271V271-S273 VanDerWaalsContact C-N 3.26Å; V271-S273 PolarHBondContact O-N 2.99Å
274W79.9Confident80Confident28 Ų2851.3 Ų51.311%0.10627%0.27CS..  trans-102.8110.8-173.7-69.523000110.5I220 R221 L226 V269 D270 V271 L280I220-W274 HydrophobicContact CG2-CZ2 4.22Å; R221-W274 VanDerWaalsContact C-NE1 3.3Å; R221-W274 PolarHBondContact O-NE1 3.41Å; L226-W274 HydrophobicContact CB-CH2 3.92Å; L226-W274 HydrophobicContact CD2-CH2 3.55Å; L226-W274 HydrophobicContact CD2-CZ3 3.67Å; L226-W274 HydrophobicContact CG-CH2 4.32Å; V269-W274 HydrophobicContact CG1-CH2 3.39Å; V269-W274 HydrophobicContact CG1-CZ2 3.62Å; V269-W274 HydrophobicContact CG1-CZ3 4.05Å; D270-W274 PolarHBondContact O-NE1 2.9Å; D270-W274 VanDerWaalsContact O-NE1 3.14Å; V271-W274 HydrophobicContact CG1-CB 4.08Å; V271-W274 HydrophobicContact CG1-CG 4.39Å; V271-W274 PolarHBondContact O-N 2.86Å; W274-L280 HydrophobicContact CE3-CD1 4.34Å; W274-L280 HydrophobicContact CE3-CD2 4.02Å; W274-L280 HydrophobicContact CE3-CG 4.18Å; W274-L280 HydrophobicContact CZ3-CD2 3.85Å; W274-L280 HydrophobicContact CZ3-CG 4.39Å
275D66.3Low79.6Confident154 Ų15451.5 Ų51.582%0.82427%0.271SS*.  trans-85.3-20.7178.2-58.6-35.3000112.4I277D275-I277 PolarHBondContact O-N 3.32Å
276N65.5Low78.9Confident110 Ų11058.8 Ų58.859%0.58831%0.306SS*.  trans-94.293.2-179-79.3-17.5000112.1T278 S279N276-T278 PolarHBondContact O-N 3.14Å; N276-S279 PolarHBondContact O-OG 3.04Å
277I67Low78.3Confident105 Ų10565.1 Ų65.154%0.53834%0.335SS..THydrogen-bonded Turntrans-66.5-22.1174.3-61.1169.8000111.7D275 S279 L280 E281D275-I277 PolarHBondContact O-N 3.32Å; I277-S279 PolarHBondContact O-N 3.45Å; I277-L280 WeakPolarHBondContact O-CB 3.39Å; I277-L280 PolarHBondContact O-N 3.08Å; I277-E281 HydrophobicContact CG2-CG 4.09Å; I277-E281 PolarHBondContact O-N 3.01Å
278T69.4Low77.8Confident84 Ų8468.1 Ų68.152%0.51535%0.351SS..Hα-helixtrans-59.1-42.1-176.451.80000113.7N276 L280 E281 E282N276-T278 PolarHBondContact O-N 3.14Å; T278-L280 VanDerWaalsContact C-N 3.25Å; T278-L280 PolarHBondContact O-N 3.42Å; T278-E281 PolarHBondContact O-N 2.83Å; T278-E282 WeakPolarHBondContact O-CG 3.44Å; T278-E282 PolarHBondContact O-N 2.89Å
279S70.7Confident77.5Confident22 Ų2269.1 Ų69.115%0.15436%0.358CS..Hα-helixtrans-68.1-24.7176.849.70000113.3N276 I277 I283N276-S279 PolarHBondContact O-OG 3.04Å; I277-S279 PolarHBondContact O-N 3.45Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 VanDerWaalsContact O-CG1 3.31Å; S279-I283 WeakPolarHBondContact O-CG1 3.46Å
280L77.8Confident77.3Confident8 Ų869.9 Ų69.94%0.04236%0.363CS..Hα-helixtrans-78.1-38.6175.3-67.2168.4000110.7F243 V271 W274 I277 T278 I283 G284 V285F243-L280 HydrophobicContact CD1-CD2 3.86Å; F243-L280 HydrophobicContact CE1-CD2 4.09Å; V271-L280 HydrophobicContact CG1-CD1 3.58Å; W274-L280 HydrophobicContact CE3-CD1 4.34Å; W274-L280 HydrophobicContact CE3-CD2 4.02Å; W274-L280 HydrophobicContact CE3-CG 4.18Å; W274-L280 HydrophobicContact CZ3-CD2 3.85Å; W274-L280 HydrophobicContact CZ3-CG 4.39Å; I277-L280 WeakPolarHBondContact O-CB 3.39Å; I277-L280 PolarHBondContact O-N 3.08Å; T278-L280 VanDerWaalsContact C-N 3.25Å; T278-L280 PolarHBondContact O-N 3.42Å; L280-I283 PolarHBondContact O-N 3.39Å; L280-G284 PolarHBondContact O-N 3.03Å; L280-G284 VanDerWaalsContact O-N 3.07Å; L280-V285 HydrophobicContact CB-CB 4.23Å; L280-V285 PolarHBondContact O-N 3.32Å
281E74.4Confident77.4Confident125 Ų12569.7 Ų69.758%0.58436%0.361SS*.Hα-helixtrans-65.3-39.2175.3-72.7178.617700112.3I277 T278 I283 G284I277-E281 HydrophobicContact CG2-CG 4.09Å; I277-E281 PolarHBondContact O-N 3.01Å; T278-E281 PolarHBondContact O-N 2.83Å; E281-I283 PolarHBondContact O-N 3Å; E281-G284 WeakPolarHBondContact O-CA 3.49Å; E281-G284 PolarHBondContact O-N 2.99Å
282E73.3Confident77.7Confident171 Ų17169.4 Ų69.480%0.79936%0.359SS*.Hα-helixtrans-59.9-35.5173.6-76.3177.7-177.700112.6T278 G284T278-E282 WeakPolarHBondContact O-CG 3.44Å; T278-E282 PolarHBondContact O-N 2.89Å; E282-G284 PolarHBondContact O-N 3.3Å
283I76.6Confident78.1Confident24 Ų2464.1 Ų64.112%0.12334%0.335CS..Hα-helixtrans-79.5-11.7175.6-66.6172.2000111.3L226 W230 F243 S279 L280 E281 V285L226-I283 HydrophobicContact CD2-CD1 3.42Å; L226-I283 VanDerWaalsContact CD2-CD1 3.42Å; L226-I283 HydrophobicContact CG-CD1 4.02Å; W230-I283 HydrophobicContact CD2-CG2 4.46Å; W230-I283 HydrophobicContact CE3-CG2 4.23Å; W230-I283 HydrophobicContact CH2-CG2 3.38Å; W230-I283 HydrophobicContact CZ2-CG2 3.61Å; W230-I283 HydrophobicContact CZ3-CG2 3.71Å; F243-I283 HydrophobicContact CZ-CG2 4.3Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 VanDerWaalsContact O-CG1 3.31Å; S279-I283 WeakPolarHBondContact O-CG1 3.46Å; L280-I283 PolarHBondContact O-N 3.39Å; E281-I283 PolarHBondContact O-N 3Å; I283-V285 HydrophobicContact CG2-CG2 4.1Å
284G73.8Confident78.7Confident14 Ų1463.2 Ų63.214%0.14432%0.323CS..THydrogen-bonded Turntrans80.230.2-179.800000113.5L280 E281 E282 R301L280-G284 PolarHBondContact O-N 3.03Å; L280-G284 VanDerWaalsContact O-N 3.07Å; E281-G284 WeakPolarHBondContact O-CA 3.49Å; E281-G284 PolarHBondContact O-N 2.99Å; E282-G284 PolarHBondContact O-N 3.3Å; G284-R301 VanDerWaalsContact O-CZ 3.23Å; G284-R301 PolarHBondContact O-NE 3.09Å; G284-R301 PolarHBondContact O-NH2 2.94Å
285V81.4Confident79.1Confident8 Ų862.5 Ų62.55%0.04832%0.321CS..  trans-90.8103.1171.7-178.80000108.6F243 L280 I283 L288 I292F243-V285 HydrophobicContact CB-CG1 4.44Å; F243-V285 HydrophobicContact CD1-CG2 4.38Å; F243-V285 HydrophobicContact CD2-CG2 3.96Å; F243-V285 HydrophobicContact CE1-CG2 4.47Å; F243-V285 HydrophobicContact CE2-CG2 4.07Å; F243-V285 HydrophobicContact CG-CG2 4.13Å; F243-V285 HydrophobicContact CZ-CG2 4.32Å; L280-V285 HydrophobicContact CB-CB 4.23Å; L280-V285 PolarHBondContact O-N 3.32Å; I283-V285 HydrophobicContact CG2-CG2 4.1Å; V285-L288 HydrophobicContact CG1-CD2 3.93Å; V285-L288 HydrophobicContact CG1-CG 4.5Å; V285-I292 HydrophobicContact CG2-CD1 3.61Å
286Q73Confident79.9Confident183 Ų18359 Ų5986%0.85531%0.306SS*.  trans-97.6-25.6179.3-67.3-177.6-12.800113.3
287Q79.7Confident80.7Confident136 Ų13657.4 Ų57.464%0.63630%0.295SS*.SBendtrans-130.8146.3-177.8-68.8175.7-15.600109.5S290Q287-S290 WeakPolarHBondContact O-CB 3.26Å
288L82.4Confident81.5Confident63 Ų6353.9 Ų53.933%0.3328%0.284SS..SBendtrans-121.6138.4178-70.7168.5000109.2F243 K245 V271 V285F243-L288 HydrophobicContact CB-CD2 3.68Å; K245-L288 HydrophobicContact CD-CD1 4.48Å; K245-L288 HydrophobicContact CG-CD1 4.31Å; V271-L288 HydrophobicContact CB-CD1 4.38Å; V271-L288 HydrophobicContact CG1-CD1 3.94Å; V271-L288 HydrophobicContact CG2-CD2 4.23Å; V285-L288 HydrophobicContact CG1-CD2 3.93Å; V285-L288 HydrophobicContact CG1-CG 4.5Å
289P87.7Confident82.4Confident22 Ų2253.8 Ų53.814%0.14328%0.28CS..SBendcis-75.6152.8-4.529.8-33.3000113.8S75 G76 L242 F243 A244S75-P289 WeakPolarHBondContact O-CG 3.42Å; G76-P289 VanDerWaalsContact CA-CG 3.4Å; G76-P289 VanDerWaalsContact N-CG 3.33Å; L242-P289 HydrophobicContact CD1-CB 4.26Å; F243-P289 CarbonylContact O-C 3.53Å; F243-P289 WeakPolarHBondContact O-CA 3.33Å; F243-P289 VanDerWaalsContact O-CB 3.24Å; F243-P289 WeakPolarHBondContact O-CB 3.4Å; A244-P289 HydrophobicContact CB-CB 3.74Å
290S88.1Confident83.4Confident16 Ų1653.9 Ų53.911%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-129.5129.6178.1-179.20000110.9F243 Q287 I292F243-S290 PolarHBondContact N-O 3.31Å; F243-S290 PolarHBondContact O-N 3.21Å; Q287-S290 WeakPolarHBondContact O-CB 3.26Å; S290-I292 WeakPolarHBondContact OG-CG1 3.32Å
291Y91.6Very high83.9Confident9 Ų958.7 Ų58.74%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-99.1114174.9-65.9-93000108.4L242 F252 F253 Y302 I310 M315L242-Y291 HydrophobicContact CB-CD1 4.43Å; L242-Y291 HydrophobicContact CB-CE1 4.38Å; L242-Y291 HydrophobicContact CD1-CD1 3.84Å; L242-Y291 HydrophobicContact CD1-CD2 4.32Å; L242-Y291 HydrophobicContact CD1-CE1 3.47Å; L242-Y291 VanDerWaalsContact CD1-CE1 3.47Å; L242-Y291 HydrophobicContact CD1-CE2 3.97Å; L242-Y291 HydrophobicContact CD1-CG 4.24Å; L242-Y291 HydrophobicContact CD2-CE1 3.95Å; L242-Y291 HydrophobicContact CG-CE1 4.13Å; F252-Y291 HydrophobicContact CE2-CE1 4.46Å; F252-Y291 HydrophobicContact CZ-CE1 4.09Å; F252-Y291 AromaticContact CZ-CZ 4Å; F252-Y291 WeakPolarHBondContact CZ-OH 3.45Å; F253-Y291 HydrophobicContact CD2-CD1 4.41Å; F253-Y291 HydrophobicContact CD2-CE1 4.1Å; F253-Y291 HydrophobicContact CE2-CD1 4.35Å; F253-Y291 HydrophobicContact CE2-CE1 4.44Å; Y291-Y302 PolarHBondContact O-N 2.96Å; Y291-I310 HydrophobicContact CE2-CD1 4.27Å; Y291-I310 HydrophobicContact CE2-CG1 4.36Å; Y291-I310 HydrophobicContact CE2-CG2 4.17Å; Y291-M315 HydrophobicContact CD1-CE 3.77Å; Y291-M315 HydrophobicContact CE1-CE 4.23Å; Y291-M315 HydrophobicContact CG-CE 4.12Å
292I91.8Very high84.6Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-120118.8-176.2-61.2-171000109.7W230 F241 F243 V285 S290 I299 R301W230-I292 HydrophobicContact CH2-CG2 4.07Å; W230-I292 HydrophobicContact CZ3-CG2 4.43Å; F241-I292 HydrophobicContact CB-CB 4.44Å; F241-I292 PolarHBondContact N-O 2.87Å; F241-I292 PolarHBondContact O-N 3.08Å; F243-I292 HydrophobicContact CD2-CD1 4.15Å; F243-I292 HydrophobicContact CD2-CG1 4.3Å; F243-I292 HydrophobicContact CE2-CB 4.23Å; F243-I292 HydrophobicContact CE2-CD1 3.85Å; F243-I292 HydrophobicContact CE2-CG1 4.18Å; V285-I292 HydrophobicContact CG2-CD1 3.61Å; S290-I292 WeakPolarHBondContact OG-CG1 3.32Å; I292-I299 HydrophobicContact CG2-CG2 3.32Å; I292-R301 HydrophobicContact CG1-CG 4.45Å
293L92.1Very high85Confident0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-92.1112.3170.2-173.469.7000109V238 M240 M295 Y300 F318 L319 V322V238-L293 HydrophobicContact CG1-CD1 3.67Å; V238-L293 HydrophobicContact CG1-CG 4.34Å; M240-L293 HydrophobicContact CB-CD1 4.21Å; M240-L293 HydrophobicContact CE-CB 4.34Å; M240-L293 HydrophobicContact CE-CD1 4.12Å; M240-L293 HydrophobicContact SD-CB 4.11Å; M240-L293 HydrophobicContact SD-CD1 4.16Å; L293-M295 HydrophobicContact CD2-CG 4.12Å; L293-M295 HydrophobicContact CD2-SD 4.02Å; L293-M295 HydrophobicContact CG-CG 4.06Å; L293-Y300 PolarHBondContact N-O 3.5Å; L293-Y300 PolarHBondContact O-N 3.15Å; L293-F318 HydrophobicContact CD2-CE1 3.92Å; L293-F318 HydrophobicContact CD2-CZ 3.9Å; L293-L319 HydrophobicContact CD1-CD2 4.27Å; L293-V322 HydrophobicContact CD2-CG1 3.99Å; L293-V322 HydrophobicContact CD2-CG2 4.48Å
294K90.3Very high85.2Confident45 Ų4551.2 Ų51.220%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-95.8118.1172.9-174.9138.3179.565.90109.3W230 V238 K239 F241 I299W230-K294 HydrophobicContact CD2-CD 3.85Å; W230-K294 HydrophobicContact CE3-CD 3.98Å; W230-K294 HydrophobicContact CH2-CD 3.85Å; W230-K294 HydrophobicContact CZ2-CD 3.74Å; W230-K294 HydrophobicContact CZ3-CD 3.98Å; W230-K294 WeakPolarHBondContact O-CE 3.4Å; V238-K294 WeakPolarHBondContact CA-O 3.5Å; K239-K294 PolarHBondContact N-O 3.36Å; K239-K294 PolarHBondContact O-N 3.09Å; F241-K294 HydrophobicContact CD2-CB 4.27Å; F241-K294 HydrophobicContact CE2-CB 4Å; K294-I299 HydrophobicContact CD-CG1 4.28Å
295M88.7Confident85.5Confident13 Ų1351.6 Ų51.66%0.06427%0.272CS..  trans-112.4164.5174.2-52.6163.8-72.300108.6V238 L293 E297 G298 V322 R398 T402V238-M295 HydrophobicContact CG1-CG 4.32Å; L293-M295 HydrophobicContact CD2-CG 4.12Å; L293-M295 HydrophobicContact CD2-SD 4.02Å; L293-M295 HydrophobicContact CG-CG 4.06Å; M295-E297 VanDerWaalsContact CB-OE2 3.23Å; M295-E297 WeakPolarHBondContact CB-OE2 3.38Å; M295-E297 PolarHBondContact O-N 2.84Å; M295-G298 PolarHBondContact N-O 3.36Å; M295-G298 PolarHBondContact O-N 3.23Å; M295-G298 VanDerWaalsContact O-O 3.04Å; M295-V322 HydrophobicContact SD-CG1 4.17Å; M295-R398 HydrophobicContact SD-CB 4.28Å; M295-R398 HydrophobicContact SD-CG 4.45Å; M295-T402 HydrophobicContact CE-CG2 4.02Å; M295-T402 HydrophobicContact SD-CG2 4.42Å
296P83.2Confident85.2Confident80 Ų8054.5 Ų54.552%0.51929%0.286SS..SBendtrans-57.1-29.9175.2-26.736.3000113.6P237P237-P296 HydrophobicContact CB-CG 3.48Å; P237-P296 VanDerWaalsContact CB-CG 3.48Å; P237-P296 WeakPolarHBondContact O-CD 3.25Å
297E81.5Confident85.1Confident78 Ų7846.2 Ų46.236%0.36425%0.25SS..SBendtrans-92.1-21.3-172.4-48.687.117000113.1M295 K395 R398M295-E297 VanDerWaalsContact CB-OE2 3.23Å; M295-E297 WeakPolarHBondContact CB-OE2 3.38Å; M295-E297 PolarHBondContact O-N 2.84Å; E297-K395 HydrophobicContact CG-CD 3.93Å; E297-K395 HydrophobicContact CG-CG 3.93Å; E297-R398 IonicContact OE1-CZ 2.82Å; E297-R398 IonicContact OE1-NH1 3.11Å; E297-R398 PolarHBondContact OE1-NH1 3.25Å; E297-R398 IonicContact OE2-NH1 2.7Å
298G84.9Confident85.2Confident30 Ų3039.8 Ų39.831%0.30922%0.22SC..  trans177.1-178.7-173.100000114.5M295M295-G298 PolarHBondContact N-O 3.36Å; M295-G298 PolarHBondContact O-N 3.23Å; M295-G298 VanDerWaalsContact O-O 3.04Å
299I88.5Confident85.1Confident82 Ų8238.2 Ų38.242%0.42121%0.21SC..EExtended strand (participates in β ladder)trans-118.2125.5-180-59.5158.3000107.4W230 I292 K294W230-I299 HydrophobicContact CH2-CD1 4.2Å; W230-I299 HydrophobicContact CH2-CG1 4.43Å; W230-I299 HydrophobicContact CH2-CG2 4.37Å; W230-I299 HydrophobicContact CZ2-CD1 3.54Å; W230-I299 HydrophobicContact CZ2-CG1 4.14Å; I292-I299 HydrophobicContact CG2-CG2 3.32Å; K294-I299 HydrophobicContact CD-CG1 4.28Å
300Y90.1Very high85Confident25 Ų2538 Ų3810%0.09821%0.208CC..EExtended strand (participates in β ladder)trans-113.8134.9175.8-175.5-99000110.2L293 S305 E308 F318 T402L293-Y300 PolarHBondContact N-O 3.5Å; L293-Y300 PolarHBondContact O-N 3.15Å; Y300-S305 PolarHBondContact OH-OG 2.74Å; Y300-E308 VanDerWaalsContact OH-CD 3.24Å; Y300-E308 PolarHBondContact OH-OE1 3.46Å; Y300-E308 PolarHBondContact OH-OE2 2.94Å; Y300-F318 HydrophobicContact CD1-CE1 4.31Å; Y300-F318 HydrophobicContact CD1-CE2 4.16Å; Y300-F318 AromaticContact CD1-CZ 3.5Å; Y300-F318 HydrophobicContact CD1-CZ 3.5Å; Y300-F318 HydrophobicContact CE1-CE1 4.39Å; Y300-F318 AromaticContact CE1-CE2 3.8Å; Y300-F318 HydrophobicContact CE1-CE2 3.8Å; Y300-F318 AromaticContact CE1-CZ 3.54Å; Y300-F318 HydrophobicContact CE1-CZ 3.54Å; Y300-F318 HydrophobicContact CG-CZ 4.48Å; Y300-T402 HydrophobicContact CD2-CG2 3.76Å; Y300-T402 HydrophobicContact CE2-CG2 4.32Å; Y300-T402 WeakPolarHBondContact CE2-O 3.01Å; Y300-T402 HydrophobicContact CG-CG2 3.97Å
301R88.8Confident84.7Confident108 Ų10838.4 Ų38.441%0.40821%0.211SC..EExtended strand (participates in β ladder)trans-100.7114.1176.3-62.5-172.7-175.6105.1-0.5108.7G284 I292G284-R301 VanDerWaalsContact O-CZ 3.23Å; G284-R301 PolarHBondContact O-NE 3.09Å; G284-R301 PolarHBondContact O-NH2 2.94Å; I292-R301 HydrophobicContact CG1-CG 4.45Å
302Y89.3Confident84.4Confident9 Ų939.6 Ų39.64%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-80.9135.7179.4179.6-87.2000110.6Y291 E308 F309 M315 F318Y291-Y302 PolarHBondContact O-N 2.96Å; Y302-E308 HydrophobicContact CD2-CB 4.17Å; Y302-E308 HydrophobicContact CD2-CG 4.15Å; Y302-E308 HydrophobicContact CE1-CB 4.13Å; Y302-E308 HydrophobicContact CE2-CB 3.75Å; Y302-E308 HydrophobicContact CE2-CG 3.8Å; Y302-F309 WeakPolarHBondContact CE1-O 3.23Å; Y302-F309 PolarHBondContact OH-O 3.17Å; Y302-M315 HydrophobicContact CD1-CE 3.31Å; Y302-M315 HydrophobicContact CD1-SD 3.86Å; Y302-M315 HydrophobicContact CD2-CE 4.42Å; Y302-M315 HydrophobicContact CD2-SD 3.86Å; Y302-M315 HydrophobicContact CE1-CE 3.31Å; Y302-M315 HydrophobicContact CE1-SD 3.82Å; Y302-M315 HydrophobicContact CE2-CE 4.4Å; Y302-M315 HydrophobicContact CE2-SD 3.79Å; Y302-M315 HydrophobicContact CG-CE 3.9Å; Y302-M315 HydrophobicContact CG-SD 3.87Å; Y302-M315 PolarHBondContact OH-N 3.39Å; Y302-F318 AromaticContact CD2-CD1 3.52Å; Y302-F318 HydrophobicContact CD2-CD1 3.52Å; Y302-F318 AromaticContact CD2-CE1 3.79Å; Y302-F318 HydrophobicContact CD2-CE1 3.79Å; Y302-F318 AromaticContact CD2-CG 3.96Å; Y302-F318 HydrophobicContact CD2-CG 3.96Å; Y302-F318 HydrophobicContact CD2-CZ 4.44Å; Y302-F318 HydrophobicContact CE2-CB 3.93Å; Y302-F318 AromaticContact CE2-CD1 3.77Å; Y302-F318 HydrophobicContact CE2-CD1 3.77Å; Y302-F318 HydrophobicContact CE2-CE1 4.49Å; Y302-F318 AromaticContact CE2-CG 3.87Å; Y302-F318 HydrophobicContact CE2-CG 3.87Å
303G81.4Confident84.1Confident30 Ų3045 Ų4531%0.30924%0.243SC..THydrogen-bonded Turntrans106.1-7179.800000114.2E308G303-E308 PolarHBondContact N-OE2 3.37Å
304N81.3Confident83.8Confident125 Ų12545.7 Ų45.767%0.66825%0.248SC*.SBendtrans-84.3-23176-77.26.4000112.7
305S80.1Confident83.7Confident22 Ų2243.6 Ų43.615%0.15424%0.239CC..SBendtrans-95.4153.6-177.7-59.50000111.8Y300 G307 E308 S407Y300-S305 PolarHBondContact OH-OG 2.74Å; S305-G307 PolarHBondContact O-N 3.36Å; S305-E308 WeakPolarHBondContact O-CB 3.38Å; S305-E308 PolarHBondContact O-N 2.95Å; S305-S407 WeakPolarHBondContact CB-OG 3.5Å
306I74.3Confident83.8Confident68 Ų6843.9 Ų43.935%0.34924%0.241SC..THydrogen-bonded Turntrans-60.5130.1178.1-56-170.6000110T35 S407 T411T35-I306 HydrophobicContact CG2-CB 4.07Å; T35-I306 HydrophobicContact CG2-CG1 4.03Å; T35-I306 HydrophobicContact CG2-CG2 3.7Å; I306-S407 PolarHBondContact O-OG 2.87Å; I306-T411 PolarHBondContact O-OG1 3.06Å
307G71Confident84.1Confident10 Ų1041.7 Ų41.710%0.10323%0.227CC..THydrogen-bonded Turntrans89.6-2.3178.600000115.4S305 F309 T411S305-G307 PolarHBondContact O-N 3.36Å; G307-F309 WeakPolarHBondContact O-CD2 3.38Å; G307-F309 PolarHBondContact O-N 3.11Å; G307-T411 WeakPolarHBondContact CA-OG1 3.05Å
308E81.8Confident84.6Confident0 Ų038 Ų380%021%0.209CC..  trans-88.375.7176.4-63.7-173165.100111M79 Y300 Y302 G303 S305 R410M79-E308 WeakPolarHBondContact CE-O 3.02Å; Y300-E308 VanDerWaalsContact OH-CD 3.24Å; Y300-E308 PolarHBondContact OH-OE1 3.46Å; Y300-E308 PolarHBondContact OH-OE2 2.94Å; Y302-E308 HydrophobicContact CD2-CB 4.17Å; Y302-E308 HydrophobicContact CD2-CG 4.15Å; Y302-E308 HydrophobicContact CE1-CB 4.13Å; Y302-E308 HydrophobicContact CE2-CB 3.75Å; Y302-E308 HydrophobicContact CE2-CG 3.8Å; G303-E308 PolarHBondContact N-OE2 3.37Å; S305-E308 WeakPolarHBondContact O-CB 3.38Å; S305-E308 PolarHBondContact O-N 2.95Å; E308-R410 IonicContact OE1-CZ 2.95Å; E308-R410 IonicContact OE1-NH1 2.71Å; E308-R410 IonicContact OE1-NH2 2.7Å; E308-R410 PolarHBondContact OE1-NH2 3.16Å
309F81.7Confident84.9Confident30 Ų3036.6 Ų36.613%0.13220%0.195CC..  trans-81.5154.2177.4-54.1-69.8000111.8A34 M79 E82 Y302 G307 S311 A314A34-F309 HydrophobicContact CB-CZ 4.48Å; M79-F309 HydrophobicContact CB-CD1 3.9Å; M79-F309 HydrophobicContact CB-CE1 3.91Å; M79-F309 HydrophobicContact CE-CB 4.46Å; M79-F309 HydrophobicContact CE-CD1 3.32Å; M79-F309 HydrophobicContact CE-CE1 3.76Å; M79-F309 HydrophobicContact CE-CG 4.17Å; M79-F309 HydrophobicContact SD-CD1 4.05Å; M79-F309 HydrophobicContact SD-CE1 3.92Å; E82-F309 HydrophobicContact CB-CB 4.46Å; E82-F309 HydrophobicContact CB-CD1 4.28Å; Y302-F309 WeakPolarHBondContact CE1-O 3.23Å; Y302-F309 PolarHBondContact OH-O 3.17Å; G307-F309 WeakPolarHBondContact O-CD2 3.38Å; G307-F309 PolarHBondContact O-N 3.11Å; F309-S311 PolarHBondContact O-N 2.94Å; F309-A314 HydrophobicContact CB-CB 4.36Å
310I83.6Confident85Confident19 Ų1936.2 Ų36.210%0.09719%0.188CC..SBendtrans-77.164172.1-49.8176.7000108.8F252 Y291F252-I310 HydrophobicContact CE1-CG2 3.93Å; F252-I310 HydrophobicContact CZ-CG2 3.58Å; Y291-I310 HydrophobicContact CE2-CD1 4.27Å; Y291-I310 HydrophobicContact CE2-CG1 4.36Å; Y291-I310 HydrophobicContact CE2-CG2 4.17Å
311S82.9Confident84.9Confident24 Ų2436.2 Ų36.217%0.16819%0.192CC..SBendtrans-131.5154.2178.472.10000110.6F309 Q313 A314 M315F309-S311 PolarHBondContact O-N 2.94Å; S311-Q313 PolarHBondContact O-N 2.95Å; S311-A314 WeakPolarHBondContact OG-CB 3.43Å; S311-A314 PolarHBondContact OG-N 3.01Å; S311-M315 WeakPolarHBondContact O-CB 3.37Å; S311-M315 PolarHBondContact O-N 3.46Å; S311-M315 VanDerWaalsContact O-N 3.16Å
312L85.4Confident84.9Confident34 Ų3431.1 Ų31.118%0.17817%0.172CC..Hα-helixtrans-59.6-46.2177.9-175120.9000111.6F150 F252 A255 L256 D316F150-L312 HydrophobicContact CB-CD1 4.4Å; F150-L312 WeakPolarHBondContact O-CD1 3.15Å; F252-L312 HydrophobicContact CB-CB 4.01Å; F252-L312 HydrophobicContact CB-CD1 3.84Å; F252-L312 HydrophobicContact CB-CG 4.5Å; A255-L312 HydrophobicContact CB-CD1 4.16Å; L256-L312 HydrophobicContact CD2-CG 4.46Å; L256-L312 HydrophobicContact CG-CD1 4.39Å; L312-D316 WeakPolarHBondContact O-CB 3.31Å; L312-D316 PolarHBondContact O-N 3.09Å
313Q84.3Confident84.9Confident113 Ų11331.5 Ų31.553%0.52818%0.175SC..Hα-helixtrans-66.8-43.5-175.6-173.5178.46.400112.7S311 T317S311-Q313 PolarHBondContact O-N 2.95Å; Q313-T317 WeakPolarHBondContact O-CB 3.36Å; Q313-T317 PolarHBondContact O-N 2.79Å; Q313-T317 PolarHBondContact O-OG1 2.86Å
314A86.1Confident85.3Confident14 Ų1430.8 Ų30.812%0.11616%0.164CC..Hα-helixtrans-66.5-46.4179.900000111.4F309 S311 T317 F318F309-A314 HydrophobicContact CB-CB 4.36Å; S311-A314 WeakPolarHBondContact OG-CB 3.43Å; S311-A314 PolarHBondContact OG-N 3.01Å; A314-T317 PolarHBondContact O-N 2.86Å; A314-F318 PolarHBondContact O-N 2.87Å
315M89.5Confident85.5Confident1 Ų128.1 Ų28.11%0.00515%0.148CC..Hα-helixtrans-65.8-39.9178-172.976.37700111.6M240 L256 Y291 Y302 S311 F318 L319M240-M315 HydrophobicContact CE-SD 3.64Å; L256-M315 HydrophobicContact CD1-CB 3.88Å; L256-M315 HydrophobicContact CD1-CG 3.53Å; Y291-M315 HydrophobicContact CD1-CE 3.77Å; Y291-M315 HydrophobicContact CE1-CE 4.23Å; Y291-M315 HydrophobicContact CG-CE 4.12Å; Y302-M315 HydrophobicContact CD1-CE 3.31Å; Y302-M315 HydrophobicContact CD1-SD 3.86Å; Y302-M315 HydrophobicContact CD2-CE 4.42Å; Y302-M315 HydrophobicContact CD2-SD 3.86Å; Y302-M315 HydrophobicContact CE1-CE 3.31Å; Y302-M315 HydrophobicContact CE1-SD 3.82Å; Y302-M315 HydrophobicContact CE2-CE 4.4Å; Y302-M315 HydrophobicContact CE2-SD 3.79Å; Y302-M315 HydrophobicContact CG-CE 3.9Å; Y302-M315 HydrophobicContact CG-SD 3.87Å; Y302-M315 PolarHBondContact OH-N 3.39Å; S311-M315 WeakPolarHBondContact O-CB 3.37Å; S311-M315 PolarHBondContact O-N 3.46Å; S311-M315 VanDerWaalsContact O-N 3.16Å; M315-F318 PolarHBondContact O-N 2.04Å; M315-F318 HydrophobicContact SD-CD1 4.39Å; M315-L319 HydrophobicContact CG-CD1 4.09Å; M315-L319 HydrophobicContact CG-CG 4.41Å; M315-L319 WeakPolarHBondContact O-CB 3.27Å; M315-L319 WeakPolarHBondContact O-CG 3.45Å; M315-L319 PolarHBondContact O-N 2.86Å
316D90.1Very high85.8Confident19 Ų1929.9 Ų29.910%0.10216%0.158CC..Hα-helixtrans-60-46.5175.2-173.664.3000111.7L256 K259 F260 L312 F318 L319 R320L256-D316 HydrophobicContact CD2-CB 3.95Å; K259-D316 VanDerWaalsContact CD-OD1 3.27Å; K259-D316 WeakPolarHBondContact CD-OD1 3.43Å; K259-D316 WeakPolarHBondContact CE-OD1 3.43Å; K259-D316 IonicContact NZ-OD1 3.06Å; K259-D316 PolarHBondContact NZ-OD1 3.28Å; K259-D316 IonicContact NZ-OD2 3.99Å; K259-D316 PolarHBondContact NZ-OD2 2.93Å; F260-D316 WeakPolarHBondContact CE2-OD1 3.39Å; L312-D316 WeakPolarHBondContact O-CB 3.31Å; L312-D316 PolarHBondContact O-N 3.09Å; D316-F318 VanDerWaalsContact C-N 3.33Å; D316-F318 PolarHBondContact O-N 2.93Å; D316-L319 PolarHBondContact O-N 3.27Å; D316-R320 WeakPolarHBondContact O-CB 3.49Å; D316-R320 VanDerWaalsContact O-CG 3.3Å; D316-R320 WeakPolarHBondContact O-CG 3.36Å; D316-R320 PolarHBondContact O-N 3.3Å; D316-R320 IonicContact OD1-NE 3.94Å; D316-R320 IonicContact OD2-CZ 3.03Å; D316-R320 IonicContact OD2-NE 2.69Å; D316-R320 PolarHBondContact OD2-NE 3Å
317T89.3Confident86.4Confident35 Ų3531.1 Ų31.122%0.21517%0.165CC..Hα-helixtrans-62.6-41.7179.6-54.50000111.1Q313 A314 S321 T414Q313-T317 WeakPolarHBondContact O-CB 3.36Å; Q313-T317 PolarHBondContact O-N 2.79Å; Q313-T317 PolarHBondContact O-OG1 2.86Å; A314-T317 PolarHBondContact O-N 2.86Å; T317-S321 PolarHBondContact O-N 2.94Å; T317-S321 VanDerWaalsContact O-N 3.08Å; T317-T414 HydrophobicContact CG2-CG2 4.23Å
318F91.3Very high87.2Confident0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-63.4-48.2174.4170.4-112000112.5M240 L293 Y300 Y302 A314 M315 D316 R320 S321 V322M240-F318 HydrophobicContact CE-CE1 4.48Å; L293-F318 HydrophobicContact CD2-CE1 3.92Å; L293-F318 HydrophobicContact CD2-CZ 3.9Å; Y300-F318 HydrophobicContact CD1-CE1 4.31Å; Y300-F318 HydrophobicContact CD1-CE2 4.16Å; Y300-F318 AromaticContact CD1-CZ 3.5Å; Y300-F318 HydrophobicContact CD1-CZ 3.5Å; Y300-F318 HydrophobicContact CE1-CE1 4.39Å; Y300-F318 AromaticContact CE1-CE2 3.8Å; Y300-F318 HydrophobicContact CE1-CE2 3.8Å; Y300-F318 AromaticContact CE1-CZ 3.54Å; Y300-F318 HydrophobicContact CE1-CZ 3.54Å; Y300-F318 HydrophobicContact CG-CZ 4.48Å; Y302-F318 AromaticContact CD2-CD1 3.52Å; Y302-F318 HydrophobicContact CD2-CD1 3.52Å; Y302-F318 AromaticContact CD2-CE1 3.79Å; Y302-F318 HydrophobicContact CD2-CE1 3.79Å; Y302-F318 AromaticContact CD2-CG 3.96Å; Y302-F318 HydrophobicContact CD2-CG 3.96Å; Y302-F318 HydrophobicContact CD2-CZ 4.44Å; Y302-F318 HydrophobicContact CE2-CB 3.93Å; Y302-F318 AromaticContact CE2-CD1 3.77Å; Y302-F318 HydrophobicContact CE2-CD1 3.77Å; Y302-F318 HydrophobicContact CE2-CE1 4.49Å; Y302-F318 AromaticContact CE2-CG 3.87Å; Y302-F318 HydrophobicContact CE2-CG 3.87Å; A314-F318 PolarHBondContact O-N 2.87Å; M315-F318 PolarHBondContact O-N 2.04Å; M315-F318 HydrophobicContact SD-CD1 4.39Å; D316-F318 VanDerWaalsContact C-N 3.33Å; D316-F318 PolarHBondContact O-N 2.93Å; F318-R320 VanDerWaalsContact C-N 3.31Å; F318-R320 PolarHBondContact O-N 2.9Å; F318-S321 PolarHBondContact O-N 3.39Å; F318-S321 PolarHBondContact O-OG 3.15Å; F318-V322 HydrophobicContact CD2-CG2 3.98Å; F318-V322 HydrophobicContact CE1-CG2 4.37Å; F318-V322 HydrophobicContact CE2-CG2 3.54Å; F318-V322 HydrophobicContact CZ-CG2 3.75Å; F318-V322 WeakPolarHBondContact O-CG2 3.15Å; F318-V322 PolarHBondContact O-N 3.05Å
319L91.6Very high87.6Confident0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-67.6-33.5-178.6-71.1177.7000112.5M240 F260 I264 F266 L293 M315 D316 Q323M240-L319 HydrophobicContact CE-CD1 4.47Å; M240-L319 HydrophobicContact CE-CD2 3.71Å; M240-L319 HydrophobicContact CE-CG 4.39Å; F260-L319 HydrophobicContact CD1-CB 4.34Å; F260-L319 HydrophobicContact CD2-CD1 4.24Å; F260-L319 HydrophobicContact CE1-CB 3.6Å; F260-L319 HydrophobicContact CE2-CB 3.87Å; F260-L319 HydrophobicContact CE2-CD1 4.04Å; F260-L319 HydrophobicContact CZ-CB 3.33Å; F260-L319 HydrophobicContact CZ-CD1 4.35Å; F260-L319 HydrophobicContact CZ-CG 4.5Å; I264-L319 HydrophobicContact CD1-CB 4.18Å; I264-L319 HydrophobicContact CD1-CD1 4.44Å; I264-L319 HydrophobicContact CD1-CD2 3.67Å; I264-L319 HydrophobicContact CD1-CG 4.31Å; F266-L319 HydrophobicContact CE1-CD1 4.3Å; F266-L319 HydrophobicContact CZ-CD1 3.68Å; L293-L319 HydrophobicContact CD1-CD2 4.27Å; M315-L319 HydrophobicContact CG-CD1 4.09Å; M315-L319 HydrophobicContact CG-CG 4.41Å; M315-L319 WeakPolarHBondContact O-CB 3.27Å; M315-L319 WeakPolarHBondContact O-CG 3.45Å; M315-L319 PolarHBondContact O-N 2.86Å; D316-L319 PolarHBondContact O-N 3.27Å; L319-Q323 PolarHBondContact O-N 2.9Å
320R90.8Very high88Confident75 Ų7536.9 Ų36.928%0.28319%0.192SC..Hα-helixtrans-67.5-33.8172.2-75.2179.4-178.4-92.217.7112.8F260 D316 F318 Q323 P324 D328F260-R320 HydrophobicContact CE1-CG 4.36Å; F260-R320 HydrophobicContact CZ-CG 3.91Å; D316-R320 WeakPolarHBondContact O-CB 3.49Å; D316-R320 VanDerWaalsContact O-CG 3.3Å; D316-R320 WeakPolarHBondContact O-CG 3.36Å; D316-R320 PolarHBondContact O-N 3.3Å; D316-R320 IonicContact OD1-NE 3.94Å; D316-R320 IonicContact OD2-CZ 3.03Å; D316-R320 IonicContact OD2-NE 2.69Å; D316-R320 PolarHBondContact OD2-NE 3Å; F318-R320 VanDerWaalsContact C-N 3.31Å; F318-R320 PolarHBondContact O-N 2.9Å; R320-Q323 CarbonylContact O-C 3.53Å; R320-P324 WeakPolarHBondContact O-CA 3.31Å; R320-P324 WeakPolarHBondContact O-CB 3.44Å; R320-D328 IonicContact CZ-OD2 3.18Å; R320-D328 IonicContact NH1-OD1 3.34Å; R320-D328 PolarHBondContact NH1-OD1 2.87Å; R320-D328 IonicContact NH1-OD2 3.33Å; R320-D328 PolarHBondContact NH1-OD2 3.34Å
321S89.3Confident88.4Confident25 Ų2539.2 Ų39.218%0.17521%0.207CC..Hα-helixtrans-69.3-49.9175.172.60000110.4T317 F318 Q323 P324T317-S321 PolarHBondContact O-N 2.94Å; T317-S321 VanDerWaalsContact O-N 3.08Å; F318-S321 PolarHBondContact O-N 3.39Å; F318-S321 PolarHBondContact O-OG 3.15Å; S321-Q323 PolarHBondContact O-N 2.92Å; S321-P324 WeakPolarHBondContact O-CD 3.14Å
322V88.9Confident88.7Confident0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-64.5-38.5-176.9177.80000113L293 M295 F318 R398 D401L293-V322 HydrophobicContact CD2-CG1 3.99Å; L293-V322 HydrophobicContact CD2-CG2 4.48Å; M295-V322 HydrophobicContact SD-CG1 4.17Å; F318-V322 HydrophobicContact CD2-CG2 3.98Å; F318-V322 HydrophobicContact CE1-CG2 4.37Å; F318-V322 HydrophobicContact CE2-CG2 3.54Å; F318-V322 HydrophobicContact CZ-CG2 3.75Å; F318-V322 WeakPolarHBondContact O-CG2 3.15Å; F318-V322 PolarHBondContact O-N 3.05Å; V322-R398 HydrophobicContact CG1-CG 3.92Å; V322-R398 WeakPolarHBondContact O-CG 3.4Å; V322-D401 HydrophobicContact CG2-CB 4.14Å
323Q88.8Confident89Confident18 Ų1841.8 Ų41.88%0.08422%0.221CC..SBendtrans-134.177.4179.9-168.568.833.300110.1R263 I264 L319 R320 S321R263-Q323 HydrophobicContact CB-CG 4.31Å; R263-Q323 PolarHBondContact NH1-O 2.99Å; I264-Q323 HydrophobicContact CD1-CB 4.38Å; L319-Q323 PolarHBondContact O-N 2.9Å; R320-Q323 CarbonylContact O-C 3.53Å; S321-Q323 PolarHBondContact O-N 2.92Å
324P89.5Confident89.4Confident14 Ų1438.8 Ų38.89%0.09121%0.208CC..  trans-71.8151.8-176.231.5-35.9000111.5R320 S321 L329 L397R320-P324 WeakPolarHBondContact O-CA 3.31Å; R320-P324 WeakPolarHBondContact O-CB 3.44Å; S321-P324 WeakPolarHBondContact O-CD 3.14Å; P324-L329 HydrophobicContact CB-CD2 4.07Å; P324-L329 HydrophobicContact CB-CG 4.14Å; P324-L329 HydrophobicContact CG-CD1 4.42Å; P324-L329 HydrophobicContact CG-CD2 4.12Å; P324-L329 HydrophobicContact CG-CG 4.31Å; P324-L397 HydrophobicContact CG-CD2 3.57Å
325E85.6Confident89.6Confident69 Ų6940.8 Ų40.832%0.32222%0.219SC..  trans-84.9155.9165.7-66.7-176.8174.500110.5R263 N327 D328 L329R263-E325 VanDerWaalsContact CZ-CG 3.45Å; R263-E325 IonicContact CZ-OE1 2.83Å; R263-E325 IonicContact NE-OE1 2.81Å; R263-E325 PolarHBondContact NE-OE1 3.44Å; R263-E325 IonicContact NH1-OE1 3.83Å; R263-E325 IonicContact NH2-OE1 2.77Å; R263-E325 PolarHBondContact NH2-OE1 3.27Å; E325-N327 PolarHBondContact O-N 3.22Å; E325-D328 HydrophobicContact CB-CB 4.48Å; E325-D328 WeakPolarHBondContact O-CB 3.46Å; E325-D328 PolarHBondContact O-N 3.08Å; E325-L329 PolarHBondContact O-N 2.91Å
326V85.9Confident89.7Confident60 Ų6043.8 Ų43.836%0.36423%0.233SC..Hα-helixtrans-58.4-33.8174.9-179.10000111.3F330 L378V326-F330 WeakPolarHBondContact O-CB 3.36Å; V326-F330 PolarHBondContact O-N 2.83Å; V326-L378 HydrophobicContact CG1-CD2 3.39Å
327N87.8Confident89.7Confident94 Ų9444.4 Ų44.450%0.50324%0.238SC..Hα-helixtrans-64.9-42173.2-177.160.3000112.2E325 L329 F330 V331E325-N327 PolarHBondContact O-N 3.22Å; N327-L329 VanDerWaalsContact C-N 3.34Å; N327-L329 PolarHBondContact O-N 3.01Å; N327-F330 PolarHBondContact O-N 3.27Å; N327-V331 WeakPolarHBondContact O-CG2 3.4Å; N327-V331 PolarHBondContact O-N 2.9Å
328D87.6Confident89.9Confident37 Ų3744.8 Ų44.820%0.19824%0.239CC..Hα-helixtrans-64.4-41.1179-67.6-17.9000110.8R320 E325 V331 L332R320-D328 IonicContact CZ-OD2 3.18Å; R320-D328 IonicContact NH1-OD1 3.34Å; R320-D328 PolarHBondContact NH1-OD1 2.87Å; R320-D328 IonicContact NH1-OD2 3.33Å; R320-D328 PolarHBondContact NH1-OD2 3.34Å; E325-D328 HydrophobicContact CB-CB 4.48Å; E325-D328 WeakPolarHBondContact O-CB 3.46Å; E325-D328 PolarHBondContact O-N 3.08Å; D328-V331 PolarHBondContact O-N 2.69Å; D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 PolarHBondContact O-N 3.06Å
329L88.8Confident89.8Confident74 Ų7445.9 Ų45.939%0.38725%0.245SC..Hα-helixtrans-64.3-38.9174.5-65.4177.5000112.4P324 E325 N327 L332 S333 W374P324-L329 HydrophobicContact CB-CD2 4.07Å; P324-L329 HydrophobicContact CB-CG 4.14Å; P324-L329 HydrophobicContact CG-CD1 4.42Å; P324-L329 HydrophobicContact CG-CD2 4.12Å; P324-L329 HydrophobicContact CG-CG 4.31Å; E325-L329 PolarHBondContact O-N 2.91Å; N327-L329 VanDerWaalsContact C-N 3.34Å; N327-L329 PolarHBondContact O-N 3.01Å; L329-L332 PolarHBondContact O-N 3.18Å; L329-S333 PolarHBondContact O-N 3.16Å; L329-S333 PolarHBondContact O-OG 3.26Å; L329-W374 HydrophobicContact CB-CZ2 4.46Å
330F91.6Very high89.7Confident49 Ų4947.1 Ų47.122%0.21525%0.25CS..Hα-helixtrans-66.3-43.5175.7176.7-105.9000112.3V326 N327 L332 S333 L334 L370 I371 W374V326-F330 WeakPolarHBondContact O-CB 3.36Å; V326-F330 PolarHBondContact O-N 2.83Å; N327-F330 PolarHBondContact O-N 3.27Å; F330-L332 VanDerWaalsContact C-N 3.32Å; F330-L332 PolarHBondContact O-N 2.77Å; F330-S333 PolarHBondContact O-N 3.33Å; F330-S333 PolarHBondContact O-OG 3.17Å; F330-L334 WeakPolarHBondContact O-CB 3.32Å; F330-L334 PolarHBondContact O-N 2.91Å; F330-L370 HydrophobicContact CE2-CD2 4.41Å; F330-L370 HydrophobicContact CE2-CG 4.42Å; F330-I371 HydrophobicContact CZ-CG1 4.26Å; F330-W374 HydrophobicContact CD2-CB 4.4Å; F330-W374 AromaticContact CD2-CD1 3.38Å; F330-W374 HydrophobicContact CD2-CD2 4.42Å; F330-W374 AromaticContact CD2-CG 3.84Å; F330-W374 HydrophobicContact CD2-CG 3.84Å; F330-W374 AromaticContact CD2-NE1 3.75Å; F330-W374 HydrophobicContact CE2-CB 4.48Å; F330-W374 HydrophobicContact CE2-CG 4.38Å
331V90.8Very high89.6Confident68 Ų6843.5 Ų43.541%0.41224%0.237SC..Hα-helixtrans-64.5-40.7177173.30000110.4N327 D328 L334 V335N327-V331 WeakPolarHBondContact O-CG2 3.4Å; N327-V331 PolarHBondContact O-N 2.9Å; D328-V331 PolarHBondContact O-N 2.69Å; V331-L334 PolarHBondContact O-N 3.47Å; V331-V335 WeakPolarHBondContact O-CG2 3.5Å; V331-V335 PolarHBondContact O-N 3.5Å
332L89.7Confident89.6Confident85 Ų8547.7 Ų47.745%0.44525%0.249SC..Hα-helixtrans-61.6-45.2175.2-178.365.5000111.7D328 L329 F330 L334 V335 M336D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 PolarHBondContact O-N 3.06Å; L329-L332 PolarHBondContact O-N 3.18Å; F330-L332 VanDerWaalsContact C-N 3.32Å; F330-L332 PolarHBondContact O-N 2.77Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L332-V335 PolarHBondContact O-N 3.34Å; L332-M336 HydrophobicContact CD1-CE 4.29Å; L332-M336 WeakPolarHBondContact O-CG 3.3Å; L332-M336 PolarHBondContact O-N 3.09Å
333S91.9Very high89.6Confident28 Ų2847.8 Ų47.820%0.19625%0.249CC..Hα-helixtrans-65.1-39.1177.868.50000111.7L329 F330 M336 V337L329-S333 PolarHBondContact O-N 3.16Å; L329-S333 PolarHBondContact O-OG 3.26Å; F330-S333 PolarHBondContact O-N 3.33Å; F330-S333 PolarHBondContact O-OG 3.17Å; S333-M336 PolarHBondContact O-N 3.32Å; S333-V337 WeakPolarHBondContact O-CB 3.37Å; S333-V337 VanDerWaalsContact O-CG2 3.26Å; S333-V337 WeakPolarHBondContact O-CG2 3.49Å; S333-V337 PolarHBondContact O-N 3.43Å
334L92.8Very high89.3Confident50 Ų5047.3 Ų47.326%0.26225%0.248SC..Hα-helixtrans-60.8-46174.3-177.467.1000112F330 V331 L332 V337 N338 N367 L370F330-L334 WeakPolarHBondContact O-CB 3.32Å; F330-L334 PolarHBondContact O-N 2.91Å; V331-L334 PolarHBondContact O-N 3.47Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L334-V337 PolarHBondContact O-N 2.88Å; L334-N338 VanDerWaalsContact O-CB 3.32Å; L334-N338 WeakPolarHBondContact O-CB 3.03Å; L334-N338 PolarHBondContact O-N 3.3Å; L334-N338 PolarHBondContact O-ND2 3.42Å; L334-N367 WeakPolarHBondContact CD1-OD1 3.49Å; L334-L370 HydrophobicContact CB-CD2 4.02Å; L334-L370 HydrophobicContact CD1-CD2 3.93Å
335V91Very high89.1Confident56 Ų5648.1 Ų48.134%0.33925%0.251SS..Hα-helixtrans-62.5-45.1176.7171.20000110.7V331 L332 N338 L339V331-V335 WeakPolarHBondContact O-CG2 3.5Å; V331-V335 PolarHBondContact O-N 3.5Å; L332-V335 PolarHBondContact O-N 3.34Å; V335-N338 PolarHBondContact O-N 2.95Å; V335-L339 HydrophobicContact CG1-CD1 4.06Å; V335-L339 HydrophobicContact CG1-CG 4.41Å; V335-L339 WeakPolarHBondContact O-CB 3.5Å; V335-L339 WeakPolarHBondContact O-CG 3.38Å; V335-L339 PolarHBondContact O-N 3.05Å
336M89.9Confident89.1Confident63 Ų6345.2 Ų45.231%0.3124%0.237SC..Hα-helixtrans-64.2-42.1179.6-72.4-63.5-174.100112.8L8 F12 L332 S333 L339 M340L8-M336 HydrophobicContact CD2-SD 4.31Å; F12-M336 HydrophobicContact CE1-CE 4.43Å; F12-M336 HydrophobicContact CE2-CE 3.71Å; F12-M336 HydrophobicContact CE2-SD 3.63Å; F12-M336 HydrophobicContact CZ-CE 3.55Å; F12-M336 HydrophobicContact CZ-SD 3.57Å; F12-M336 VanDerWaalsContact CZ-SD 3.57Å; L332-M336 HydrophobicContact CD1-CE 4.29Å; L332-M336 WeakPolarHBondContact O-CG 3.3Å; L332-M336 PolarHBondContact O-N 3.09Å; S333-M336 PolarHBondContact O-N 3.32Å; M336-L339 PolarHBondContact O-N 3.04Å; M336-M340 WeakPolarHBondContact O-CB 3.47Å; M336-M340 PolarHBondContact O-N 3.07Å
337V91.8Very high88.9Confident33 Ų3343.9 Ų43.920%0.223%0.228CC..Hα-helixtrans-66.2-41.6177.1169.50000111S333 L334 M340 A341 Y366 L370S333-V337 WeakPolarHBondContact O-CB 3.37Å; S333-V337 VanDerWaalsContact O-CG2 3.26Å; S333-V337 WeakPolarHBondContact O-CG2 3.49Å; S333-V337 PolarHBondContact O-N 3.43Å; L334-V337 PolarHBondContact O-N 2.88Å; V337-M340 WeakPolarHBondContact O-CB 3.49Å; V337-M340 PolarHBondContact O-N 2.99Å; V337-A341 PolarHBondContact O-N 3.19Å; V337-Y366 HydrophobicContact CG1-CD2 4.23Å; V337-Y366 HydrophobicContact CG1-CG 4.36Å; V337-L370 HydrophobicContact CB-CD2 4.34Å; V337-L370 HydrophobicContact CG2-CD1 4.23Å; V337-L370 HydrophobicContact CG2-CD2 4.23Å
338N91.5Very high88.5Confident42 Ų4240.7 Ų40.723%0.22521%0.212CC..Hα-helixtrans-62.5-47.2174.4-75.3-29.1000111.3L334 V335 M340 A341 W342 L363 N367L334-N338 VanDerWaalsContact O-CB 3.32Å; L334-N338 WeakPolarHBondContact O-CB 3.03Å; L334-N338 PolarHBondContact O-N 3.3Å; L334-N338 PolarHBondContact O-ND2 3.42Å; V335-N338 PolarHBondContact O-N 2.95Å; N338-M340 PolarHBondContact O-N 3.07Å; N338-A341 PolarHBondContact O-N 3.27Å; N338-A341 VanDerWaalsContact O-N 3.08Å; N338-W342 PolarHBondContact O-N 2.94Å; N338-L363 WeakPolarHBondContact OD1-CD1 3.46Å; N338-N367 PolarHBondContact OD1-ND2 3.06Å; N338-N367 PolarHBondContact OD1-OD1 3.22Å
339L90Very high87.6Confident24 Ų2444.3 Ų44.313%0.12623%0.227CC..Hα-helixtrans-59.8-32.5175-71.5174.6000112.2L8 F12 V335 M336 F423 Y427L8-L339 HydrophobicContact CD1-CB 4Å; F12-L339 HydrophobicContact CZ-CD1 4.2Å; V335-L339 HydrophobicContact CG1-CD1 4.06Å; V335-L339 HydrophobicContact CG1-CG 4.41Å; V335-L339 WeakPolarHBondContact O-CB 3.5Å; V335-L339 WeakPolarHBondContact O-CG 3.38Å; V335-L339 PolarHBondContact O-N 3.05Å; M336-L339 PolarHBondContact O-N 3.04Å; L339-F423 HydrophobicContact CD1-CZ 4.22Å; L339-F423 HydrophobicContact CD2-CE1 4.22Å; L339-F423 HydrophobicContact CD2-CZ 4.35Å; L339-Y427 HydrophobicContact CD2-CD2 4.47Å; L339-Y427 HydrophobicContact CD2-CE2 4.21Å; L339-Y427 PolarHBondContact O-OH 3.28Å
340M89.5Confident86.5Confident25 Ų2542.7 Ų42.712%0.12323%0.229CC..Hα-helixtrans-71.8-38.2174.4-167.4178.6-62.100112.4K4 L5 L8 M336 V337 N338 L343K4-M340 HydrophobicContact CB-CG 3.93Å; K4-M340 HydrophobicContact CB-SD 4.31Å; K4-M340 HydrophobicContact CD-CG 4.23Å; L5-M340 HydrophobicContact CB-CE 4.24Å; L5-M340 HydrophobicContact CD1-CE 3.96Å; L8-M340 HydrophobicContact CD2-CE 4.44Å; M336-M340 WeakPolarHBondContact O-CB 3.47Å; M336-M340 PolarHBondContact O-N 3.07Å; V337-M340 WeakPolarHBondContact O-CB 3.49Å; V337-M340 PolarHBondContact O-N 2.99Å; N338-M340 PolarHBondContact O-N 3.07Å; M340-L343 WeakPolarHBondContact O-CB 3.32Å; M340-L343 PolarHBondContact O-N 2.88Å
341A89.2Confident85.7Confident0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-66.2-39176.700000111.9V337 N338 L343 D344 L359 L363 Y366V337-A341 PolarHBondContact O-N 3.19Å; N338-A341 PolarHBondContact O-N 3.27Å; N338-A341 VanDerWaalsContact O-N 3.08Å; A341-L343 PolarHBondContact O-N 3.29Å; A341-D344 WeakPolarHBondContact O-CB 3.39Å; A341-D344 PolarHBondContact O-N 3.49Å; A341-L359 WeakPolarHBondContact O-CD1 3.26Å; A341-L363 HydrophobicContact CB-CD1 4.18Å; A341-Y366 HydrophobicContact CB-CD2 4.05Å
342W89.4Confident85Confident112 Ų11244.5 Ų44.542%0.42425%0.25SC..Hα-helixtrans-63.9-24176.9-85.178.4000113.8N338 D344 L345 Y427N338-W342 PolarHBondContact O-N 2.94Å; W342-D344 PolarHBondContact O-N 2.89Å; W342-L345 WeakPolarHBondContact O-CB 3.1Å; W342-L345 PolarHBondContact O-N 3.45Å; W342-Y427 HydrophobicContact CB-CE1 3.99Å; W342-Y427 WeakPolarHBondContact CB-OH 3.44Å
343L87.4Confident84.6Confident2 Ų246 Ų461%0.0126%0.257CS..THydrogen-bonded Turntrans-63.8-24.5173.4-70173.2000112.3L8 M340 A341 L345 F346 I347 Y427 I434L8-L343 HydrophobicContact CB-CD1 4.24Å; M340-L343 WeakPolarHBondContact O-CB 3.32Å; M340-L343 PolarHBondContact O-N 2.88Å; A341-L343 PolarHBondContact O-N 3.29Å; L343-L345 PolarHBondContact O-N 2.86Å; L343-F346 PolarHBondContact O-N 3.4Å; L343-I347 HydrophobicContact CB-CD1 4.35Å; L343-I347 WeakPolarHBondContact O-CG1 3.48Å; L343-I347 PolarHBondContact O-N 3.25Å; L343-Y427 HydrophobicContact CD2-CE2 4.12Å; L343-Y427 WeakPolarHBondContact CD2-OH 3.48Å; L343-Y427 WeakPolarHBondContact CG-OH 3.45Å; L343-Y427 PolarHBondContact N-OH 3.27Å; L343-I434 HydrophobicContact CD2-CD1 4.29Å
344D84.2Confident84Confident9 Ų947.5 Ų47.55%0.04826%0.26CS..Hα-helixtrans-66.1-24.3178.8-75.9-41.5000113.2K4 A341 W342 F346 I347 T348K4-D344 WeakPolarHBondContact CE-OD1 3.44Å; K4-D344 IonicContact NZ-OD1 2.62Å; K4-D344 PolarHBondContact NZ-OD1 2.91Å; K4-D344 IonicContact NZ-OD2 2.71Å; K4-D344 PolarHBondContact NZ-OD2 3.33Å; A341-D344 WeakPolarHBondContact O-CB 3.39Å; A341-D344 PolarHBondContact O-N 3.49Å; W342-D344 PolarHBondContact O-N 2.89Å; D344-F346 PolarHBondContact O-N 3.37Å; D344-I347 PolarHBondContact O-N 3.18Å; D344-T348 HydrophobicContact CB-CG2 4.26Å; D344-T348 VanDerWaalsContact O-CB 3.28Å; D344-T348 WeakPolarHBondContact O-CB 3.18Å; D344-T348 WeakPolarHBondContact O-CG2 3.5Å; D344-T348 PolarHBondContact O-N 3.22Å; D344-T348 PolarHBondContact O-OG1 3.47Å
345L85.1Confident83.6Confident30 Ų3048.1 Ų48.116%0.15726%0.259CS..Hα-helixtrans-61-27.7173.5-176.7142.2000112.1W342 L343 R355 F356 L359W342-L345 WeakPolarHBondContact O-CB 3.1Å; W342-L345 PolarHBondContact O-N 3.45Å; L343-L345 PolarHBondContact O-N 2.86Å; L345-R355 WeakPolarHBondContact O-CD 3.42Å; L345-F356 HydrophobicContact CD1-CE1 4.16Å; L345-F356 HydrophobicContact CD1-CZ 4.42Å; L345-L359 HydrophobicContact CD1-CD2 3.99Å
346F85.1Confident83.3Confident9 Ų951 Ų514%0.03927%0.267CS..Hα-helixtrans-97.3-30.6-178.7-58.4-73.1000113.2L343 D344 Y427 L428 G431 L432 D435L343-F346 PolarHBondContact O-N 3.4Å; D344-F346 PolarHBondContact O-N 3.37Å; F346-Y427 HydrophobicContact CE2-CE1 4.42Å; F346-L428 HydrophobicContact CZ-CD2 3.9Å; F346-G431 WeakPolarHBondContact CB-O 3.25Å; F346-G431 WeakPolarHBondContact CD1-O 3.42Å; F346-G431 WeakPolarHBondContact CG-O 3.24Å; F346-L432 HydrophobicContact CD1-CD2 4.47Å; F346-L432 HydrophobicContact CE1-CD2 4.08Å; F346-L432 HydrophobicContact CE1-CG 4.21Å; F346-D435 HydrophobicContact CB-CB 4.33Å; F346-D435 HydrophobicContact CD1-CB 4.49Å
347I82.1Confident83Confident31 Ų3150.6 Ų50.616%0.15927%0.268CS..Hα-helixtrans-82.4-32.2-178.3-62169.8000111.5K4 L343 D344 I434K4-I347 HydrophobicContact CG-CD1 4.06Å; L343-I347 HydrophobicContact CB-CD1 4.35Å; L343-I347 WeakPolarHBondContact O-CG1 3.48Å; L343-I347 PolarHBondContact O-N 3.25Å; D344-I347 PolarHBondContact O-N 3.18Å; I347-I434 HydrophobicContact CG1-CG2 4.44Å
348T79Confident82.6Confident27 Ų2750.2 Ų50.217%0.16627%0.266CS..  trans-74.2135.3-173.655.70000113.3D344 R355 V358D344-T348 HydrophobicContact CB-CG2 4.26Å; D344-T348 VanDerWaalsContact O-CB 3.28Å; D344-T348 WeakPolarHBondContact O-CB 3.18Å; D344-T348 WeakPolarHBondContact O-CG2 3.5Å; D344-T348 PolarHBondContact O-N 3.22Å; D344-T348 PolarHBondContact O-OG1 3.47Å; T348-R355 PolarHBondContact O-NE 2.98Å; T348-R355 VanDerWaalsContact O-NE 3.16Å; T348-R355 PolarHBondContact O-NH2 3.14Å; T348-V358 HydrophobicContact CG2-CB 4.43Å; T348-V358 HydrophobicContact CG2-CG1 3.78Å
349Q68.9Low82.4Confident113 Ų11348.8 Ų48.853%0.52826%0.258SS..  trans-84.3147179.2-66.4180-800112.3K354 R442Q349-K354 VanDerWaalsContact O-CD 3.31Å; Q349-K354 WeakPolarHBondContact O-CD 3.32Å; Q349-K354 WeakPolarHBondContact O-CE 3.32Å; Q349-R442 VanDerWaalsContact NE2-NE 3.17Å; Q349-R442 VanDerWaalsContact NE2-NH1 3.14Å
350G66.4Low82.4Confident41 Ų4153.6 Ų53.642%0.42328%0.282SS..SBendtrans115.8-168.7169.300000114.8
351A73.6Confident82.2Confident54 Ų5453.6 Ų53.645%0.44629%0.285SS..  trans-57.4155.2-178.700000112.4I353 K354 R355A351-I353 PolarHBondContact O-N 3.5Å; A351-I353 VanDerWaalsContact O-N 3.16Å; A351-K354 WeakPolarHBondContact O-CA 3.34Å; A351-K354 VanDerWaalsContact O-CB 3.3Å; A351-K354 WeakPolarHBondContact O-CB 3.22Å; A351-K354 PolarHBondContact O-N 2.98Å; A351-R355 PolarHBondContact O-N 3.34Å; A351-R355 VanDerWaalsContact O-N 3.15Å
352T76.6Confident82.1Confident100 Ų10054.6 Ų54.661%0.61329%0.291SS*.Hα-helixtrans-54-39178.551.30000112.1K354 R355 F356T352-K354 VanDerWaalsContact C-N 3.31Å; T352-K354 PolarHBondContact O-N 2.9Å; T352-R355 WeakPolarHBondContact O-CB 3.48Å; T352-R355 PolarHBondContact O-N 3.25Å; T352-F356 WeakPolarHBondContact O-CD2 3.49Å; T352-F356 PolarHBondContact O-N 2.92Å
353I80.1Confident82.2Confident118 Ų11851.9 Ų51.961%0.60529%0.285SS*.Hα-helixtrans-60.5-41.3176.1-58.8171.7000110.9A351 R355 F356 V357A351-I353 PolarHBondContact O-N 3.5Å; A351-I353 VanDerWaalsContact O-N 3.16Å; I353-R355 PolarHBondContact O-N 2.87Å; I353-F356 PolarHBondContact O-N 3.32Å; I353-V357 HydrophobicContact CG2-CG2 4.43Å; I353-V357 WeakPolarHBondContact O-CG2 3.27Å; I353-V357 PolarHBondContact O-N 3.35Å
354K80Confident82.3Confident59 Ų5953.5 Ų53.526%0.25730%0.302SS..Hα-helixtrans-60.8-45.2176175.6165.7-174179.80112.3Q349 A351 T352 F356 V357 V358 W455Q349-K354 VanDerWaalsContact O-CD 3.31Å; Q349-K354 WeakPolarHBondContact O-CD 3.32Å; Q349-K354 WeakPolarHBondContact O-CE 3.32Å; A351-K354 WeakPolarHBondContact O-CA 3.34Å; A351-K354 VanDerWaalsContact O-CB 3.3Å; A351-K354 WeakPolarHBondContact O-CB 3.22Å; A351-K354 PolarHBondContact O-N 2.98Å; T352-K354 VanDerWaalsContact C-N 3.31Å; T352-K354 PolarHBondContact O-N 2.9Å; K354-F356 PolarHBondContact O-N 3.01Å; K354-V357 PolarHBondContact O-N 3.49Å; K354-V358 VanDerWaalsContact O-CG2 3.3Å; K354-V358 WeakPolarHBondContact O-CG2 3.39Å; K354-V358 PolarHBondContact O-N 3.35Å; K354-W455 VanDerWaalsContact CA-CZ2 3.44Å; K354-W455 HydrophobicContact CB-CD2 4.13Å; K354-W455 HydrophobicContact CB-CE3 4.27Å; K354-W455 HydrophobicContact CB-CH2 3.7Å; K354-W455 HydrophobicContact CB-CZ2 3.41Å; K354-W455 VanDerWaalsContact CB-CZ2 3.41Å; K354-W455 HydrophobicContact CB-CZ3 4.05Å; K354-W455 HydrophobicContact CD-CB 4.4Å; K354-W455 HydrophobicContact CD-CD2 3.35Å; K354-W455 HydrophobicContact CD-CE3 3.73Å; K354-W455 HydrophobicContact CD-CG 3.6Å; K354-W455 HydrophobicContact CD-CZ2 4.25Å; K354-W455 HydrophobicContact CD-CZ3 4.35Å; K354-W455 VanDerWaalsContact CE-CD2 3.5Å; K354-W455 VanDerWaalsContact CE-CG 3.48Å; K354-W455 HydrophobicContact CG-CD2 3.55Å; K354-W455 HydrophobicContact CG-CE3 3.49Å; K354-W455 VanDerWaalsContact CG-CE3 3.49Å; K354-W455 HydrophobicContact CG-CG 4.33Å; K354-W455 HydrophobicContact CG-CH2 3.81Å; K354-W455 HydrophobicContact CG-CZ2 3.77Å; K354-W455 HydrophobicContact CG-CZ3 3.61Å
355R83.7Confident82.5Confident62 Ų6254.4 Ų54.423%0.23431%0.308CS..Hα-helixtrans-61.3-42.6177.1-61.3178.1171.3-157.4-8.6111.9L345 T348 A351 T352 I353 L359 D435L345-R355 WeakPolarHBondContact O-CD 3.42Å; T348-R355 PolarHBondContact O-NE 2.98Å; T348-R355 VanDerWaalsContact O-NE 3.16Å; T348-R355 PolarHBondContact O-NH2 3.14Å; A351-R355 PolarHBondContact O-N 3.34Å; A351-R355 VanDerWaalsContact O-N 3.15Å; T352-R355 WeakPolarHBondContact O-CB 3.48Å; T352-R355 PolarHBondContact O-N 3.25Å; I353-R355 PolarHBondContact O-N 2.87Å; R355-L359 WeakPolarHBondContact O-CB 3.18Å; R355-L359 PolarHBondContact O-N 3.32Å; R355-D435 IonicContact CZ-OD1 3.4Å; R355-D435 IonicContact NH1-OD1 3.64Å; R355-D435 PolarHBondContact NH1-OD1 3.45Å; R355-D435 IonicContact NH2-OD1 3.51Å; R355-D435 PolarHBondContact NH2-OD1 3.41Å
356F85.1Confident82.8Confident116 Ų11655.1 Ų55.151%0.50931%0.309SS..Hα-helixtrans-68.5-41.4178.8-81.2-69.6000113.5L345 T352 I353 K354 L359 I360L345-F356 HydrophobicContact CD1-CE1 4.16Å; L345-F356 HydrophobicContact CD1-CZ 4.42Å; T352-F356 WeakPolarHBondContact O-CD2 3.49Å; T352-F356 PolarHBondContact O-N 2.92Å; I353-F356 PolarHBondContact O-N 3.32Å; K354-F356 PolarHBondContact O-N 3.01Å; F356-L359 WeakPolarHBondContact O-CB 3.32Å; F356-L359 PolarHBondContact O-N 3.43Å; F356-I360 WeakPolarHBondContact O-CG1 3.34Å; F356-I360 PolarHBondContact O-N 3.37Å
357V84.6Confident83.2Confident55 Ų5556.1 Ų56.133%0.33332%0.315SS..Hα-helixtrans-64.6-44.5177.3171.90000110.6I353 K354 L359 I360 S361 W455 L459I353-V357 HydrophobicContact CG2-CG2 4.43Å; I353-V357 WeakPolarHBondContact O-CG2 3.27Å; I353-V357 PolarHBondContact O-N 3.35Å; K354-V357 PolarHBondContact O-N 3.49Å; V357-L359 VanDerWaalsContact C-N 3.31Å; V357-L359 PolarHBondContact O-N 2.89Å; V357-I360 PolarHBondContact O-N 2.77Å; V357-S361 WeakPolarHBondContact O-CB 3.3Å; V357-S361 PolarHBondContact O-N 2.86Å; V357-S361 VanDerWaalsContact O-N 3.08Å; V357-W455 HydrophobicContact CB-CH2 3.74Å; V357-W455 HydrophobicContact CB-CZ3 4.06Å; V357-W455 HydrophobicContact CG1-CH2 3.96Å; V357-W455 HydrophobicContact CG1-CZ3 3.99Å; V357-W455 HydrophobicContact CG2-CH2 4.08Å; V357-L459 HydrophobicContact CG1-CD1 4.25Å
358V83.6Confident83.7Confident25 Ų2557.8 Ų57.815%0.15233%0.329CS..Hα-helixtrans-62.2-40.6174.91770000110.7T348 K354 S361 T362 W455 L459T348-V358 HydrophobicContact CG2-CB 4.43Å; T348-V358 HydrophobicContact CG2-CG1 3.78Å; K354-V358 VanDerWaalsContact O-CG2 3.3Å; K354-V358 WeakPolarHBondContact O-CG2 3.39Å; K354-V358 PolarHBondContact O-N 3.35Å; V358-S361 WeakPolarHBondContact O-CB 3.32Å; V358-S361 PolarHBondContact O-N 3.28Å; V358-T362 HydrophobicContact CG1-CG2 3.93Å; V358-T362 WeakPolarHBondContact O-CB 3.43Å; V358-T362 VanDerWaalsContact O-CG2 3.31Å; V358-T362 WeakPolarHBondContact O-CG2 3.27Å; V358-T362 PolarHBondContact O-N 3.02Å; V358-T362 PolarHBondContact O-OG1 2.64Å; V358-T362 VanDerWaalsContact O-OG1 3.05Å; V358-W455 HydrophobicContact CG2-CZ3 4.18Å; V358-L459 HydrophobicContact CG2-CD1 3.96Å
359L87.1Confident84.2Confident12 Ų1260.6 Ų60.66%0.06334%0.343CS..Hα-helixtrans-60.5-46.7176.7176.966.1000113A341 L345 R355 F356 V357 S361 T362 L363A341-L359 WeakPolarHBondContact O-CD1 3.26Å; L345-L359 HydrophobicContact CD1-CD2 3.99Å; R355-L359 WeakPolarHBondContact O-CB 3.18Å; R355-L359 PolarHBondContact O-N 3.32Å; F356-L359 WeakPolarHBondContact O-CB 3.32Å; F356-L359 PolarHBondContact O-N 3.43Å; V357-L359 VanDerWaalsContact C-N 3.31Å; V357-L359 PolarHBondContact O-N 2.89Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 3.4Å; L359-T362 WeakPolarHBondContact CA-OG1 3.45Å; L359-T362 PolarHBondContact O-N 3.29Å; L359-T362 PolarHBondContact O-OG1 3.37Å; L359-T362 VanDerWaalsContact O-OG1 3.1Å; L359-L363 WeakPolarHBondContact O-CB 3.13Å; L359-L363 PolarHBondContact O-N 2.83Å
360I88.9Confident85.3Confident125 Ų12556 Ų5664%0.64132%0.322SS*.Hα-helixtrans-61.6-42178.6-67.9167000109.9F356 V357 G364F356-I360 WeakPolarHBondContact O-CG1 3.34Å; F356-I360 PolarHBondContact O-N 3.37Å; V357-I360 PolarHBondContact O-N 2.77Å; I360-G364 PolarHBondContact O-N 2.81Å
361S86.2Confident86.6Confident26 Ų2658.3 Ų58.318%0.18232%0.323CS..Hα-helixtrans-66.1-45.2178.8-175.30000113V357 V358 L359 G364 T365 W462V357-S361 WeakPolarHBondContact O-CB 3.3Å; V357-S361 PolarHBondContact O-N 2.86Å; V357-S361 VanDerWaalsContact O-N 3.08Å; V358-S361 WeakPolarHBondContact O-CB 3.32Å; V358-S361 PolarHBondContact O-N 3.28Å; L359-S361 VanDerWaalsContact C-N 3.26Å; L359-S361 PolarHBondContact O-N 3.4Å; S361-G364 PolarHBondContact O-N 2.94Å; S361-T365 WeakPolarHBondContact O-CG2 3.5Å; S361-T365 PolarHBondContact O-N 3.48Å; S361-T365 PolarHBondContact O-OG1 3.49Å; S361-W462 WeakPolarHBondContact OG-CZ3 3.39Å
362T86.4Confident87.5Confident20 Ų2060.8 Ų60.812%0.12333%0.328CS..Hα-helixtrans-68.7-39.2177.556.10000111.6V358 L359 T365 Y366V358-T362 HydrophobicContact CG1-CG2 3.93Å; V358-T362 WeakPolarHBondContact O-CB 3.43Å; V358-T362 VanDerWaalsContact O-CG2 3.31Å; V358-T362 WeakPolarHBondContact O-CG2 3.27Å; V358-T362 PolarHBondContact O-N 3.02Å; V358-T362 PolarHBondContact O-OG1 2.64Å; V358-T362 VanDerWaalsContact O-OG1 3.05Å; L359-T362 WeakPolarHBondContact CA-OG1 3.45Å; L359-T362 PolarHBondContact O-N 3.29Å; L359-T362 PolarHBondContact O-OG1 3.37Å; L359-T362 VanDerWaalsContact O-OG1 3.1Å; T362-T365 WeakPolarHBondContact CA-OG1 3.44Å; T362-T365 PolarHBondContact O-OG1 2.97Å; T362-T365 VanDerWaalsContact O-OG1 3.13Å; T362-Y366 WeakPolarHBondContact O-CB 3.36Å; T362-Y366 WeakPolarHBondContact O-CD1 3.33Å; T362-Y366 VanDerWaalsContact O-CG 3.31Å; T362-Y366 PolarHBondContact O-N 2.86Å
363L91.5Very high88.1Confident55 Ų5558.5 Ų58.529%0.28832%0.316SS..Hα-helixtrans-61.3-46.3174.5-171.572.2000111.6N338 A341 L359 N367N338-L363 WeakPolarHBondContact OD1-CD1 3.46Å; A341-L363 HydrophobicContact CB-CD1 4.18Å; L359-L363 WeakPolarHBondContact O-CB 3.13Å; L359-L363 PolarHBondContact O-N 2.83Å; L363-N367 VanDerWaalsContact O-CB 3.29Å; L363-N367 WeakPolarHBondContact O-CB 3.47Å; L363-N367 PolarHBondContact O-N 3.29Å; L363-N367 PolarHBondContact O-ND2 2.97Å
364G90Very high88.7Confident37 Ų3755.3 Ų55.338%0.38130%0.296SS..Hα-helixtrans-63.2-47.9177.900000112.3I360 S361 S368I360-G364 PolarHBondContact O-N 2.81Å; S361-G364 PolarHBondContact O-N 2.94Å; G364-S368 VanDerWaalsContact O-CB 3.25Å; G364-S368 WeakPolarHBondContact O-CB 3.47Å; G364-S368 PolarHBondContact O-N 2.98Å; G364-S368 PolarHBondContact O-OG 3.36Å
365T88.6Confident89.1Confident28 Ų2858.1 Ų58.117%0.17231%0.314CS..Hα-helixtrans-67.1-44.2179.450.20000112.6S361 T362 S368 L369 W462S361-T365 WeakPolarHBondContact O-CG2 3.5Å; S361-T365 PolarHBondContact O-N 3.48Å; S361-T365 PolarHBondContact O-OG1 3.49Å; T362-T365 WeakPolarHBondContact CA-OG1 3.44Å; T362-T365 PolarHBondContact O-OG1 2.97Å; T362-T365 VanDerWaalsContact O-OG1 3.13Å; T365-S368 PolarHBondContact O-N 3.3Å; T365-L369 WeakPolarHBondContact O-CB 3.39Å; T365-L369 VanDerWaalsContact O-CG 3.24Å; T365-L369 WeakPolarHBondContact O-CG 3.39Å; T365-L369 PolarHBondContact O-N 2.71Å; T365-W462 HydrophobicContact CG2-CH2 3.53Å; T365-W462 HydrophobicContact CG2-CZ2 4.27Å; T365-W462 HydrophobicContact CG2-CZ3 4.32Å
366Y91.8Very high89.3Confident44 Ų4458.2 Ų58.217%0.17332%0.322CS..Hα-helixtrans-66.9-42.9-178.6-78.317.6000112K4 V337 A341 T362 L369 L370K4-Y366 PolarHBondContact NZ-OH 3.02Å; V337-Y366 HydrophobicContact CG1-CD2 4.23Å; V337-Y366 HydrophobicContact CG1-CG 4.36Å; A341-Y366 HydrophobicContact CB-CD2 4.05Å; T362-Y366 WeakPolarHBondContact O-CB 3.36Å; T362-Y366 WeakPolarHBondContact O-CD1 3.33Å; T362-Y366 VanDerWaalsContact O-CG 3.31Å; T362-Y366 PolarHBondContact O-N 2.86Å; Y366-L369 PolarHBondContact O-N 3.41Å; Y366-L370 WeakPolarHBondContact O-CB 3.48Å; Y366-L370 PolarHBondContact O-N 3.4Å
367N92.8Very high89.4Confident31 Ų3155.7 Ų55.717%0.16631%0.313CS..Hα-helixtrans-68.1-37176.6-72.6-28.2000112L334 N338 L363 L370 I371L334-N367 WeakPolarHBondContact CD1-OD1 3.49Å; N338-N367 PolarHBondContact OD1-ND2 3.06Å; N338-N367 PolarHBondContact OD1-OD1 3.22Å; L363-N367 VanDerWaalsContact O-CB 3.29Å; L363-N367 WeakPolarHBondContact O-CB 3.47Å; L363-N367 PolarHBondContact O-N 3.29Å; L363-N367 PolarHBondContact O-ND2 2.97Å; N367-L370 PolarHBondContact O-N 3.39Å; N367-I371 VanDerWaalsContact O-CG1 3.28Å; N367-I371 WeakPolarHBondContact O-CG1 3.34Å; N367-I371 PolarHBondContact O-N 2.9Å
368S92.4Very high89.4Confident66 Ų6656 Ų5646%0.46231%0.313SS..Hα-helixtrans-64.7-46.4174.5-58.40000111.4G364 T365 L370 I371 I372G364-S368 VanDerWaalsContact O-CB 3.25Å; G364-S368 WeakPolarHBondContact O-CB 3.47Å; G364-S368 PolarHBondContact O-N 2.98Å; G364-S368 PolarHBondContact O-OG 3.36Å; T365-S368 PolarHBondContact O-N 3.3Å; S368-L370 VanDerWaalsContact C-N 3.33Å; S368-L370 PolarHBondContact O-N 3.04Å; S368-I371 PolarHBondContact O-N 3.24Å; S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 WeakPolarHBondContact O-CD1 3.45Å; S368-I372 WeakPolarHBondContact O-CG1 3.32Å; S368-I372 PolarHBondContact O-N 2.79Å
369L90.9Very high89.4Confident85 Ų8556.6 Ų56.645%0.44532%0.324SS..Hα-helixtrans-61.7-40.6175.6-73.3173.6000111.8T365 Y366 I372 S373T365-L369 WeakPolarHBondContact O-CB 3.39Å; T365-L369 VanDerWaalsContact O-CG 3.24Å; T365-L369 WeakPolarHBondContact O-CG 3.39Å; T365-L369 PolarHBondContact O-N 2.71Å; Y366-L369 PolarHBondContact O-N 3.41Å; L369-I372 PolarHBondContact O-N 3.17Å; L369-S373 WeakPolarHBondContact O-CB 3.5Å; L369-S373 PolarHBondContact O-N 2.85Å; L369-S373 PolarHBondContact O-OG 3.03Å
370L91.9Very high89.3Confident18 Ų1861.6 Ų61.69%0.09435%0.345CS..Hα-helixtrans-59.6-51.6175.9-179.966.5000110.7F330 L334 V337 Y366 N367 S368 I372 S373 W374F330-L370 HydrophobicContact CE2-CD2 4.41Å; F330-L370 HydrophobicContact CE2-CG 4.42Å; L334-L370 HydrophobicContact CB-CD2 4.02Å; L334-L370 HydrophobicContact CD1-CD2 3.93Å; V337-L370 HydrophobicContact CB-CD2 4.34Å; V337-L370 HydrophobicContact CG2-CD1 4.23Å; V337-L370 HydrophobicContact CG2-CD2 4.23Å; Y366-L370 WeakPolarHBondContact O-CB 3.48Å; Y366-L370 PolarHBondContact O-N 3.4Å; N367-L370 PolarHBondContact O-N 3.39Å; S368-L370 VanDerWaalsContact C-N 3.33Å; S368-L370 PolarHBondContact O-N 3.04Å; L370-I372 PolarHBondContact O-N 3.35Å; L370-S373 PolarHBondContact O-N 3.34Å; L370-S373 PolarHBondContact O-OG 3.26Å; L370-W374 WeakPolarHBondContact O-CB 3.32Å; L370-W374 PolarHBondContact O-N 3.02Å
371I92.2Very high88.8Confident88 Ų8859 Ų5945%0.45133%0.332SS..Hα-helixtrans-61.5-47.2179.8-67165.5000110.8F330 N367 S368 S373 W374 L375F330-I371 HydrophobicContact CZ-CG1 4.26Å; N367-I371 VanDerWaalsContact O-CG1 3.28Å; N367-I371 WeakPolarHBondContact O-CG1 3.34Å; N367-I371 PolarHBondContact O-N 2.9Å; S368-I371 PolarHBondContact O-N 3.24Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.34Å; I371-W374 PolarHBondContact O-N 3.37Å; I371-L375 PolarHBondContact O-N 3.37Å
372I92.5Very high88.5Confident107 Ų10765.3 Ų65.355%0.54936%0.359SS..Hα-helixtrans-61-39.3178.3-68.4165.7000110.9S368 L369 L370 P376S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 WeakPolarHBondContact O-CD1 3.45Å; S368-I372 WeakPolarHBondContact O-CG1 3.32Å; S368-I372 PolarHBondContact O-N 2.79Å; L369-I372 PolarHBondContact O-N 3.17Å; L370-I372 PolarHBondContact O-N 3.35Å; I372-P376 WeakPolarHBondContact O-CD 3.46Å
373S90.3Very high88.3Confident51 Ų5168.2 Ų68.236%0.35737%0.373SS..Hα-helixtrans-72.3-28.1178.174.20000113.5L369 L370 I371 P376 I377L369-S373 WeakPolarHBondContact O-CB 3.5Å; L369-S373 PolarHBondContact O-N 2.85Å; L369-S373 PolarHBondContact O-OG 3.03Å; L370-S373 PolarHBondContact O-N 3.34Å; L370-S373 PolarHBondContact O-OG 3.26Å; I371-S373 VanDerWaalsContact C-N 3.29Å; I371-S373 PolarHBondContact O-N 3.34Å; S373-P376 VanDerWaalsContact O-CD 3.26Å; S373-P376 WeakPolarHBondContact O-CD 3.44Å; S373-P376 VanDerWaalsContact O-CG 3.28Å; S373-P376 WeakPolarHBondContact O-CG 3.21Å; S373-I377 WeakPolarHBondContact O-CD1 3.37Å; S373-I377 VanDerWaalsContact O-CG1 3.31Å; S373-I377 WeakPolarHBondContact O-CG1 3.48Å
374W92.2Very high87.7Confident51 Ų5169.6 Ų69.619%0.19339%0.385CS..Hα-helixtrans-76.3-31.1-178.5-145.3-126.4000112.5L329 F330 L370 I371 I377 L378L329-W374 HydrophobicContact CB-CZ2 4.46Å; F330-W374 HydrophobicContact CD2-CB 4.4Å; F330-W374 AromaticContact CD2-CD1 3.38Å; F330-W374 HydrophobicContact CD2-CD2 4.42Å; F330-W374 AromaticContact CD2-CG 3.84Å; F330-W374 HydrophobicContact CD2-CG 3.84Å; F330-W374 AromaticContact CD2-NE1 3.75Å; F330-W374 HydrophobicContact CE2-CB 4.48Å; F330-W374 HydrophobicContact CE2-CG 4.38Å; L370-W374 WeakPolarHBondContact O-CB 3.32Å; L370-W374 PolarHBondContact O-N 3.02Å; I371-W374 PolarHBondContact O-N 3.37Å; W374-I377 HydrophobicContact CD2-CG2 4.47Å; W374-I377 HydrophobicContact CE3-CB 4.13Å; W374-I377 HydrophobicContact CE3-CD1 3.47Å; W374-I377 VanDerWaalsContact CE3-CD1 3.47Å; W374-I377 HydrophobicContact CE3-CG1 4.38Å; W374-I377 HydrophobicContact CE3-CG2 4.08Å; W374-I377 HydrophobicContact CH2-CG2 4.11Å; W374-I377 HydrophobicContact CZ3-CB 4.36Å; W374-I377 HydrophobicContact CZ3-CD1 3.51Å; W374-I377 HydrophobicContact CZ3-CG2 3.88Å; W374-I377 PolarHBondContact O-N 2.86Å; W374-L378 VanDerWaalsContact O-CG 3.32Å; W374-L378 WeakPolarHBondContact O-CG 3.47Å; W374-L378 PolarHBondContact O-N 2.88Å
375L88.6Confident87Confident118 Ų11878.3 Ų78.362%0.61841%0.408SS*.Hα-helixtrans-55.8-52.5176.2-68.2173.9000114I371 I377 L378 G379I371-L375 PolarHBondContact O-N 3.37Å; L375-I377 VanDerWaalsContact C-N 3.33Å; L375-I377 PolarHBondContact O-N 3.43Å; L375-L378 PolarHBondContact O-N 3.5Å; L375-G379 PolarHBondContact O-N 3.37Å; L375-G379 VanDerWaalsContact O-N 3.16Å
376P88.2Confident86.4Confident65 Ų6580.1 Ų80.142%0.42242%0.417SS..Hα-helixtrans-67.1-34.5175.825.9-33.1000111.7I372 S373 L378 G379 F380I372-P376 WeakPolarHBondContact O-CD 3.46Å; S373-P376 VanDerWaalsContact O-CD 3.26Å; S373-P376 WeakPolarHBondContact O-CD 3.44Å; S373-P376 VanDerWaalsContact O-CG 3.28Å; S373-P376 WeakPolarHBondContact O-CG 3.21Å; P376-L378 VanDerWaalsContact C-N 3.33Å; P376-L378 PolarHBondContact O-N 3.49Å; P376-G379 CarbonylContact O-C 3.54Å; P376-G379 WeakPolarHBondContact O-CA 3.26Å; P376-G379 PolarHBondContact O-N 2.83Å; P376-G379 VanDerWaalsContact O-N 3.09Å; P376-F380 HydrophobicContact CB-CD2 4.26Å; P376-F380 HydrophobicContact CB-CE2 4.06Å; P376-F380 WeakPolarHBondContact O-CD2 3.33Å; P376-F380 WeakPolarHBondContact O-CG 3.38Å; P376-F380 PolarHBondContact O-N 3.36Å
377I86.7Confident85.7Confident62 Ų6283.7 Ų83.732%0.31844%0.435SS..Hα-helixtrans-60.7-42.8176.8-69.7168.9000111S373 W374 L375 G379 F380 L381S373-I377 WeakPolarHBondContact O-CD1 3.37Å; S373-I377 VanDerWaalsContact O-CG1 3.31Å; S373-I377 WeakPolarHBondContact O-CG1 3.48Å; W374-I377 HydrophobicContact CD2-CG2 4.47Å; W374-I377 HydrophobicContact CE3-CB 4.13Å; W374-I377 HydrophobicContact CE3-CD1 3.47Å; W374-I377 VanDerWaalsContact CE3-CD1 3.47Å; W374-I377 HydrophobicContact CE3-CG1 4.38Å; W374-I377 HydrophobicContact CE3-CG2 4.08Å; W374-I377 HydrophobicContact CH2-CG2 4.11Å; W374-I377 HydrophobicContact CZ3-CB 4.36Å; W374-I377 HydrophobicContact CZ3-CD1 3.51Å; W374-I377 HydrophobicContact CZ3-CG2 3.88Å; W374-I377 PolarHBondContact O-N 2.86Å; L375-I377 VanDerWaalsContact C-N 3.33Å; L375-I377 PolarHBondContact O-N 3.43Å; I377-G379 VanDerWaalsContact C-N 3.32Å; I377-G379 PolarHBondContact O-N 3.17Å; I377-F380 PolarHBondContact O-N 3.32Å; I377-L381 HydrophobicContact CG2-CD1 4.11Å; I377-L381 HydrophobicContact CG2-CG 4.48Å; I377-L381 VanDerWaalsContact O-CG 3.3Å; I377-L381 WeakPolarHBondContact O-CG 3.35Å; I377-L381 PolarHBondContact O-N 2.88Å
378L85.3Confident85.2Confident63 Ų6384.6 Ų84.633%0.3345%0.451SS..Hα-helixtrans-61.9-40.4173.3-68173.6000112V326 W374 L375 P376 Q382V326-L378 HydrophobicContact CG1-CD2 3.39Å; W374-L378 VanDerWaalsContact O-CG 3.32Å; W374-L378 WeakPolarHBondContact O-CG 3.47Å; W374-L378 PolarHBondContact O-N 2.88Å; L375-L378 PolarHBondContact O-N 3.5Å; P376-L378 VanDerWaalsContact C-N 3.33Å; P376-L378 PolarHBondContact O-N 3.49Å; L378-Q382 WeakPolarHBondContact O-CG 3.47Å; L378-Q382 PolarHBondContact O-N 2.92Å
379G83.8Confident84.7Confident36 Ų3688 Ų8837%0.37146%0.458SS..Hα-helixtrans-63.8-41.6174.200000112.8L375 P376 I377 Q382L375-G379 PolarHBondContact O-N 3.37Å; L375-G379 VanDerWaalsContact O-N 3.16Å; P376-G379 CarbonylContact O-C 3.54Å; P376-G379 WeakPolarHBondContact O-CA 3.26Å; P376-G379 PolarHBondContact O-N 2.83Å; P376-G379 VanDerWaalsContact O-N 3.09Å; I377-G379 VanDerWaalsContact C-N 3.32Å; I377-G379 PolarHBondContact O-N 3.17Å; G379-Q382 PolarHBondContact O-N 3.19Å
380F84.2Confident84.3Confident117 Ų11788.1 Ų88.151%0.51345%0.453SS..Hα-helixtrans-66.7-39.5177.4-77.8-62.5000112.2P376 I377 Q382 L383 L386P376-F380 HydrophobicContact CB-CD2 4.26Å; P376-F380 HydrophobicContact CB-CE2 4.06Å; P376-F380 WeakPolarHBondContact O-CD2 3.33Å; P376-F380 WeakPolarHBondContact O-CG 3.38Å; P376-F380 PolarHBondContact O-N 3.36Å; I377-F380 PolarHBondContact O-N 3.32Å; F380-Q382 PolarHBondContact O-N 2.66Å; F380-L383 HydrophobicContact CD1-CD1 3.91Å; F380-L383 HydrophobicContact CE1-CD1 4.49Å; F380-L383 WeakPolarHBondContact O-CB 3.5Å; F380-L383 PolarHBondContact O-N 3.26Å; F380-L383 VanDerWaalsContact O-N 3.08Å; F380-L386 HydrophobicContact CB-CD1 3.99Å; F380-L386 HydrophobicContact CD1-CD1 4.15Å; F380-L386 WeakPolarHBondContact O-CD1 3.47Å
381L78.1Confident83.9Confident71 Ų7191.9 Ų91.937%0.37247%0.474SS..Hα-helixtrans-64.6-18.4176.1-73170.9000113.3I377 Y390I377-L381 HydrophobicContact CG2-CD1 4.11Å; I377-L381 HydrophobicContact CG2-CG 4.48Å; I377-L381 VanDerWaalsContact O-CG 3.3Å; I377-L381 WeakPolarHBondContact O-CG 3.35Å; I377-L381 PolarHBondContact O-N 2.88Å; L381-Y390 HydrophobicContact CD2-CD2 4.12Å
382Q80.8Confident83.7Confident159 Ų15995.1 Ų95.174%0.74348%0.481SS*.THydrogen-bonded Turntrans-86.6-8.3175.3-68.8174.13.300113.4L378 G379 F380L378-Q382 WeakPolarHBondContact O-CG 3.47Å; L378-Q382 PolarHBondContact O-N 2.92Å; G379-Q382 PolarHBondContact O-N 3.19Å; F380-Q382 PolarHBondContact O-N 2.66Å
383L82.5Confident83.4Confident81 Ų8192.1 Ų92.142%0.42447%0.47SS..SBendtrans-79130179.6-67.4175.2000110.8F380 Y385 L386F380-L383 HydrophobicContact CD1-CD1 3.91Å; F380-L383 HydrophobicContact CE1-CD1 4.49Å; F380-L383 WeakPolarHBondContact O-CB 3.5Å; F380-L383 PolarHBondContact O-N 3.26Å; F380-L383 VanDerWaalsContact O-N 3.08Å; L383-Y385 PolarHBondContact O-N 3.27Å; L383-Y385 VanDerWaalsContact O-N 3.13Å; L383-L386 PolarHBondContact O-N 3.46Å
384P78.2Confident83.2Confident83 Ų8390.2 Ų90.254%0.53946%0.456SS..G310 helixtrans-62.6-26.1-176.224.2-33.9000113.2L386 E387P384-L386 VanDerWaalsContact C-N 3.26Å; P384-L386 PolarHBondContact O-N 3.34Å; P384-E387 PolarHBondContact O-N 3.28Å
385Y75.8Confident83Confident221 Ų22193.1 Ų93.187%0.86747%0.47SS*.G310 helixtrans-70.3-19.7178-63.1-75.6000113.8L383L383-Y385 PolarHBondContact O-N 3.27Å; L383-Y385 VanDerWaalsContact O-N 3.13Å
386L76.4Confident83.1Confident66 Ų6692.5 Ų92.535%0.34647%0.466SS..G310 helixtrans-100.90.1-178.9-74.4168.7000113.2F380 L383 P384 G388 F389 Y390F380-L386 HydrophobicContact CB-CD1 3.99Å; F380-L386 HydrophobicContact CD1-CD1 4.15Å; F380-L386 WeakPolarHBondContact O-CD1 3.47Å; L383-L386 PolarHBondContact O-N 3.46Å; P384-L386 VanDerWaalsContact C-N 3.26Å; P384-L386 PolarHBondContact O-N 3.34Å; L386-G388 PolarHBondContact O-N 3.14Å; L386-F389 HydrophobicContact CD2-CB 4.34Å; L386-F389 PolarHBondContact O-N 3.35Å; L386-Y390 PolarHBondContact O-N 2.87Å; L386-Y390 VanDerWaalsContact O-N 3.1Å
387E75.9Confident83.1Confident118 Ų11892.2 Ų92.255%0.55146%0.461SS*.Hα-helixtrans-55.8-40.2175.1-71.7-177.8176.800111.5P384 F389 Y390 D391P384-E387 PolarHBondContact O-N 3.28Å; E387-F389 VanDerWaalsContact C-N 3.33Å; E387-F389 PolarHBondContact O-N 3.49Å; E387-Y390 PolarHBondContact O-N 3.36Å; E387-D391 PolarHBondContact O-N 3.44Å
388G81.4Confident83.2Confident50 Ų5090.1 Ų90.152%0.51545%0.449SS..Hα-helixtrans-63.9-33.6176.700000114.1L386 Y392L386-G388 PolarHBondContact O-N 3.14Å; G388-Y392 VanDerWaalsContact O-CB 3.3Å; G388-Y392 WeakPolarHBondContact O-CB 3.3Å; G388-Y392 PolarHBondContact O-N 3.36Å
389F83.6Confident83.4Confident139 Ų13995.4 Ų95.461%0.6147%0.466SS*.Hα-helixtrans-70.8-42.8175.1176.8-97.7000110.9L386 E387 Y392 S393L386-F389 HydrophobicContact CD2-CB 4.34Å; L386-F389 PolarHBondContact O-N 3.35Å; E387-F389 VanDerWaalsContact C-N 3.33Å; E387-F389 PolarHBondContact O-N 3.49Å; F389-Y392 PolarHBondContact O-N 3.25Å; F389-S393 WeakPolarHBondContact O-CB 3.25Å; F389-S393 PolarHBondContact O-N 3.18Å; F389-S393 PolarHBondContact O-OG 2.89Å
390Y82.4Confident83.7Confident86 Ų8695.9 Ų95.934%0.33747%0.467SS..Hα-helixtrans-60-49.3175.6175.1-105.1000111.4L381 L386 E387 Y392 S393 L394L381-Y390 HydrophobicContact CD2-CD2 4.12Å; L386-Y390 PolarHBondContact O-N 2.87Å; L386-Y390 VanDerWaalsContact O-N 3.1Å; E387-Y390 PolarHBondContact O-N 3.36Å; Y390-Y392 VanDerWaalsContact C-N 3.34Å; Y390-Y392 PolarHBondContact O-N 3.25Å; Y390-S393 PolarHBondContact O-N 2.95Å; Y390-S393 VanDerWaalsContact O-N 3.17Å; Y390-S393 PolarHBondContact O-OG 2.97Å; Y390-L394 HydrophobicContact CD1-CD1 3.94Å; Y390-L394 HydrophobicContact CE1-CD1 3.31Å; Y390-L394 HydrophobicContact CE1-CG 4.15Å; Y390-L394 HydrophobicContact CE2-CD1 4.09Å; Y390-L394 HydrophobicContact CE2-CD2 4.45Å; Y390-L394 HydrophobicContact CE2-CG 4.11Å; Y390-L394 VanDerWaalsContact CZ-CD1 3.41Å; Y390-L394 PolarHBondContact O-N 3.08Å
391D82.1Confident83.8Confident97 Ų9791.4 Ų91.452%0.51945%0.448SS..Hα-helixtrans-62.2-40.1178.3-74.9-19.2000112.5E387 L394 K395E387-D391 PolarHBondContact O-N 3.44Å; D391-L394 PolarHBondContact O-N 3.17Å; D391-K395 WeakPolarHBondContact O-CB 3.48Å; D391-K395 PolarHBondContact O-N 2.94Å
392Y88.1Confident84.3Confident156 Ų15689.8 Ų89.861%0.61244%0.441SS*.Hα-helixtrans-65.2-42.1174.5-175.3-96000112.1G388 F389 Y390 K395 L396G388-Y392 VanDerWaalsContact O-CB 3.3Å; G388-Y392 WeakPolarHBondContact O-CB 3.3Å; G388-Y392 PolarHBondContact O-N 3.36Å; F389-Y392 PolarHBondContact O-N 3.25Å; Y390-Y392 VanDerWaalsContact C-N 3.34Å; Y390-Y392 PolarHBondContact O-N 3.25Å; Y392-K395 WeakPolarHBondContact O-CB 3.48Å; Y392-K395 PolarHBondContact O-N 3.49Å; Y392-L396 PolarHBondContact O-N 3.4Å
393S87.1Confident84.7Confident45 Ų4584.7 Ų84.732%0.31542%0.421SS..Hα-helixtrans-64.4-41.3177.875.60000111.9F389 Y390 L396 L397F389-S393 WeakPolarHBondContact O-CB 3.25Å; F389-S393 PolarHBondContact O-N 3.18Å; F389-S393 PolarHBondContact O-OG 2.89Å; Y390-S393 PolarHBondContact O-N 2.95Å; Y390-S393 VanDerWaalsContact O-N 3.17Å; Y390-S393 PolarHBondContact O-OG 2.97Å; S393-L396 PolarHBondContact O-N 3.42Å; S393-L397 WeakPolarHBondContact O-CB 3.25Å; S393-L397 PolarHBondContact O-N 3.44Å
394L85.8Confident84.9Confident11 Ų1185 Ų856%0.05843%0.426CS..Hα-helixtrans-63.4-42.2173.4-79.3-178.8000111.3Y390 D391 L396 L397 R398Y390-L394 HydrophobicContact CD1-CD1 3.94Å; Y390-L394 HydrophobicContact CE1-CD1 3.31Å; Y390-L394 HydrophobicContact CE1-CG 4.15Å; Y390-L394 HydrophobicContact CE2-CD1 4.09Å; Y390-L394 HydrophobicContact CE2-CD2 4.45Å; Y390-L394 HydrophobicContact CE2-CG 4.11Å; Y390-L394 VanDerWaalsContact CZ-CD1 3.41Å; Y390-L394 PolarHBondContact O-N 3.08Å; D391-L394 PolarHBondContact O-N 3.17Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.37Å; L394-L397 PolarHBondContact O-N 2.94Å; L394-R398 VanDerWaalsContact O-CG 3.26Å; L394-R398 WeakPolarHBondContact O-CG 3.44Å; L394-R398 PolarHBondContact O-N 2.83Å
395K88.3Confident85.4Confident111 Ų11186.1 Ų86.148%0.48343%0.427SS..Hα-helixtrans-59.7-44.5175.5172.6164.5-175.4-178.50112E297 D391 Y392 Y399E297-K395 HydrophobicContact CG-CD 3.93Å; E297-K395 HydrophobicContact CG-CG 3.93Å; D391-K395 WeakPolarHBondContact O-CB 3.48Å; D391-K395 PolarHBondContact O-N 2.94Å; Y392-K395 WeakPolarHBondContact O-CB 3.48Å; Y392-K395 PolarHBondContact O-N 3.49Å; K395-Y399 PolarHBondContact O-N 2.97Å; K395-Y399 VanDerWaalsContact O-N 3.08Å
396L89.6Confident86Confident105 Ų10576.3 Ų76.355%0.5539%0.391SS..Hα-helixtrans-63.2-43.1176.1-177.365.6000111.3Y392 S393 L394 Y399 A400Y392-L396 PolarHBondContact O-N 3.4Å; S393-L396 PolarHBondContact O-N 3.42Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 3.37Å; L396-Y399 PolarHBondContact O-N 3.27Å; L396-A400 PolarHBondContact O-N 3.01Å
397L88.5Confident86.5Confident59 Ų5973.2 Ų73.231%0.30938%0.375SS..Hα-helixtrans-61.4-48.4178.1-176.266.2000111.5P324 S393 L394 Y399 A400 D401P324-L397 HydrophobicContact CG-CD2 3.57Å; S393-L397 WeakPolarHBondContact O-CB 3.25Å; S393-L397 PolarHBondContact O-N 3.44Å; L394-L397 PolarHBondContact O-N 2.94Å; L397-Y399 VanDerWaalsContact C-N 3.29Å; L397-Y399 PolarHBondContact O-N 3.1Å; L397-A400 WeakPolarHBondContact O-CB 3.18Å; L397-A400 PolarHBondContact O-N 3.31Å; L397-A400 VanDerWaalsContact O-N 3.09Å; L397-D401 WeakPolarHBondContact CG-OD2 3.44Å; L397-D401 WeakPolarHBondContact O-CB 3.49Å; L397-D401 PolarHBondContact O-N 3.31Å
398R89.6Confident87.1Confident19 Ų1971.8 Ų71.87%0.07237%0.365CS..Hα-helixtrans-58.7-40176.1-68.8176.2-172.1147.93.1112.3M295 E297 V322 L394 T402M295-R398 HydrophobicContact SD-CB 4.28Å; M295-R398 HydrophobicContact SD-CG 4.45Å; E297-R398 IonicContact OE1-CZ 2.82Å; E297-R398 IonicContact OE1-NH1 3.11Å; E297-R398 PolarHBondContact OE1-NH1 3.25Å; E297-R398 IonicContact OE2-NH1 2.7Å; V322-R398 HydrophobicContact CG1-CG 3.92Å; V322-R398 WeakPolarHBondContact O-CG 3.4Å; L394-R398 VanDerWaalsContact O-CG 3.26Å; L394-R398 WeakPolarHBondContact O-CG 3.44Å; L394-R398 PolarHBondContact O-N 2.83Å; R398-T402 VanDerWaalsContact O-CG2 3.3Å; R398-T402 WeakPolarHBondContact O-CG2 3.13Å; R398-T402 PolarHBondContact O-N 2.9Å; R398-T402 PolarHBondContact O-OG1 3.49Å
399Y89.7Confident87.4Confident173 Ų17373.2 Ų73.268%0.67836%0.363SS*.Hα-helixtrans-65.6-42.3176-173.8-99.1000111.6K395 L396 L397 T402 T403K395-Y399 PolarHBondContact O-N 2.97Å; K395-Y399 VanDerWaalsContact O-N 3.08Å; L396-Y399 PolarHBondContact O-N 3.27Å; L397-Y399 VanDerWaalsContact C-N 3.29Å; L397-Y399 PolarHBondContact O-N 3.1Å; Y399-T402 PolarHBondContact O-OG1 3.01Å; Y399-T402 VanDerWaalsContact O-OG1 3.12Å; Y399-T403 WeakPolarHBondContact O-CG2 3.35Å
400A89.9Confident87.7Confident47 Ų4767.6 Ų67.639%0.38834%0.338SS..Hα-helixtrans-64.4-44.1176.300000112L396 L397 T402 T403 A406L396-A400 PolarHBondContact O-N 3.01Å; L397-A400 WeakPolarHBondContact O-CB 3.18Å; L397-A400 PolarHBondContact O-N 3.31Å; L397-A400 VanDerWaalsContact O-N 3.09Å; A400-T402 VanDerWaalsContact C-N 3.32Å; A400-T402 PolarHBondContact O-N 3.47Å; A400-T403 WeakPolarHBondContact O-CB 2.95Å; A400-T403 WeakPolarHBondContact O-CG2 3.28Å; A400-T403 PolarHBondContact O-N 3.03Å; A400-T403 PolarHBondContact O-OG1 2.88Å; A400-A406 VanDerWaalsContact O-CB 3.31Å; A400-A406 WeakPolarHBondContact O-CB 3.44Å
401D86.8Confident87.8Confident23 Ų2364.6 Ų64.612%0.12333%0.329CS..Hα-helixtrans-72.6-22.2-175.2-77.7-38.4000114.7V322 L397 T403V322-D401 HydrophobicContact CG2-CB 4.14Å; L397-D401 WeakPolarHBondContact CG-OD2 3.44Å; L397-D401 WeakPolarHBondContact O-CB 3.49Å; L397-D401 PolarHBondContact O-N 3.31Å; D401-T403 VanDerWaalsContact C-N 3.25Å; D401-T403 PolarHBondContact O-N 3.35Å
402T87.3Confident88Confident36 Ų3660.5 Ų60.522%0.22131%0.306CS..THydrogen-bonded Turntrans-83.4-0.6175.5500000113.3M295 Y300 R398 Y399 A400M295-T402 HydrophobicContact CE-CG2 4.02Å; M295-T402 HydrophobicContact SD-CG2 4.42Å; Y300-T402 HydrophobicContact CD2-CG2 3.76Å; Y300-T402 HydrophobicContact CE2-CG2 4.32Å; Y300-T402 WeakPolarHBondContact CE2-O 3.01Å; Y300-T402 HydrophobicContact CG-CG2 3.97Å; R398-T402 VanDerWaalsContact O-CG2 3.3Å; R398-T402 WeakPolarHBondContact O-CG2 3.13Å; R398-T402 PolarHBondContact O-N 2.9Å; R398-T402 PolarHBondContact O-OG1 3.49Å; Y399-T402 PolarHBondContact O-OG1 3.01Å; Y399-T402 VanDerWaalsContact O-OG1 3.12Å; A400-T402 VanDerWaalsContact C-N 3.32Å; A400-T402 PolarHBondContact O-N 3.47Å
403T90Very high88Confident53 Ų5358.9 Ų58.933%0.32530%0.299SS..SBendtrans-76.5155173.867.80000112.2Y399 A400 D401 I405 A406 S407Y399-T403 WeakPolarHBondContact O-CG2 3.35Å; A400-T403 WeakPolarHBondContact O-CB 2.95Å; A400-T403 WeakPolarHBondContact O-CG2 3.28Å; A400-T403 PolarHBondContact O-N 3.03Å; A400-T403 PolarHBondContact O-OG1 2.88Å; D401-T403 VanDerWaalsContact C-N 3.25Å; D401-T403 PolarHBondContact O-N 3.35Å; T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.35Å; T403-A406 PolarHBondContact O-N 2.96Å; T403-A406 PolarHBondContact OG1-N 3.41Å; T403-S407 PolarHBondContact O-N 2.89Å
404T87.1Confident87.8Confident88 Ų8858.6 Ų58.654%0.5430%0.296SS..Hα-helixtrans-63.2-32.7175.352.90000112.6S407 W408T404-S407 VanDerWaalsContact O-CB 3.32Å; T404-S407 WeakPolarHBondContact O-CB 3.46Å; T404-S407 PolarHBondContact O-N 3.33Å; T404-W408 PolarHBondContact O-N 2.94Å; T404-W408 VanDerWaalsContact O-N 3.12Å
405I88.1Confident87.7Confident106 Ų10661.7 Ų61.754%0.54431%0.309SS..Hα-helixtrans-63.2-45.5176.4-61.9171.2000110.1T403 S407 W408 V409T403-I405 VanDerWaalsContact C-N 3.26Å; T403-I405 PolarHBondContact O-N 3.35Å; I405-S407 VanDerWaalsContact C-N 3.25Å; I405-S407 PolarHBondContact O-N 2.89Å; I405-W408 WeakPolarHBondContact O-CB 3.32Å; I405-W408 PolarHBondContact O-N 3.33Å; I405-W408 VanDerWaalsContact O-N 3.1Å; I405-V409 HydrophobicContact CG2-CG2 4.49Å; I405-V409 WeakPolarHBondContact O-CG2 3.38Å; I405-V409 PolarHBondContact O-N 3.04Å
406A87.9Confident87.6Confident15 Ų1557.1 Ų57.112%0.12429%0.289CS..Hα-helixtrans-61.5-35.8176.400000111.9A400 T403 W408 V409 R410A400-A406 VanDerWaalsContact O-CB 3.31Å; A400-A406 WeakPolarHBondContact O-CB 3.44Å; T403-A406 PolarHBondContact O-N 2.96Å; T403-A406 PolarHBondContact OG1-N 3.41Å; A406-W408 VanDerWaalsContact C-N 3.34Å; A406-W408 PolarHBondContact O-N 3.47Å; A406-V409 PolarHBondContact O-N 3.47Å; A406-R410 WeakPolarHBondContact O-CB 3.39Å; A406-R410 WeakPolarHBondContact O-CG 3.35Å; A406-R410 PolarHBondContact O-N 3.28Å
407S87.9Confident87.4Confident0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-60.7-41.1172.9-156.80000112.8S305 I306 T403 T404 I405 R410 T411S305-S407 WeakPolarHBondContact CB-OG 3.5Å; I306-S407 PolarHBondContact O-OG 2.87Å; T403-S407 PolarHBondContact O-N 2.89Å; T404-S407 VanDerWaalsContact O-CB 3.32Å; T404-S407 WeakPolarHBondContact O-CB 3.46Å; T404-S407 PolarHBondContact O-N 3.33Å; I405-S407 VanDerWaalsContact C-N 3.25Å; I405-S407 PolarHBondContact O-N 2.89Å; S407-R410 PolarHBondContact O-N 3.36Å; S407-R410 PolarHBondContact OG-NH2 3.24Å; S407-T411 PolarHBondContact O-N 3Å; S407-T411 PolarHBondContact O-OG1 2.96Å
408W87.6Confident87Confident88 Ų8854.8 Ų54.833%0.33329%0.286SS..Hα-helixtrans-66.3-46.3175.3-64-12.2000111.9F16 T404 I405 A406 R410 T411 D412F16-W408 HydrophobicContact CE2-CB 4.15Å; F16-W408 HydrophobicContact CE2-CE3 4.2Å; F16-W408 AromaticContact CZ-CE3 3.81Å; F16-W408 HydrophobicContact CZ-CE3 3.81Å; F16-W408 HydrophobicContact CZ-CZ3 4.33Å; T404-W408 PolarHBondContact O-N 2.94Å; T404-W408 VanDerWaalsContact O-N 3.12Å; I405-W408 WeakPolarHBondContact O-CB 3.32Å; I405-W408 PolarHBondContact O-N 3.33Å; I405-W408 VanDerWaalsContact O-N 3.1Å; A406-W408 VanDerWaalsContact C-N 3.34Å; A406-W408 PolarHBondContact O-N 3.47Å; W408-R410 VanDerWaalsContact C-N 3.28Å; W408-R410 PolarHBondContact O-N 3.38Å; W408-T411 WeakPolarHBondContact O-CA 3.31Å; W408-T411 WeakPolarHBondContact O-CB 3.32Å; W408-T411 PolarHBondContact O-N 3.02Å; W408-D412 PolarHBondContact O-N 3.1Å
409V89Confident86.8Confident80 Ų8056.9 Ų56.949%0.48530%0.297SS..Hα-helixtrans-58.7-41.6177.3174.10000111.2I405 A406 T411 D412 W413I405-V409 HydrophobicContact CG2-CG2 4.49Å; I405-V409 WeakPolarHBondContact O-CG2 3.38Å; I405-V409 PolarHBondContact O-N 3.04Å; A406-V409 PolarHBondContact O-N 3.47Å; V409-T411 VanDerWaalsContact C-N 3.34Å; V409-T411 PolarHBondContact O-N 3.4Å; V409-D412 PolarHBondContact O-N 3.21Å; V409-W413 VanDerWaalsContact O-CB 3.32Å; V409-W413 WeakPolarHBondContact O-CB 3.46Å; V409-W413 PolarHBondContact O-N 2.86Å
410R88.6Confident86.7Confident22 Ų2253.2 Ų53.28%0.08329%0.294CS..Hα-helixtrans-60.1-44.5173.8-75.4-175.6-73.6118.8-12.1111.7E308 A406 S407 W408 W413 T414E308-R410 IonicContact OE1-CZ 2.95Å; E308-R410 IonicContact OE1-NH1 2.71Å; E308-R410 IonicContact OE1-NH2 2.7Å; E308-R410 PolarHBondContact OE1-NH2 3.16Å; A406-R410 WeakPolarHBondContact O-CB 3.39Å; A406-R410 WeakPolarHBondContact O-CG 3.35Å; A406-R410 PolarHBondContact O-N 3.28Å; S407-R410 PolarHBondContact O-N 3.36Å; S407-R410 PolarHBondContact OG-NH2 3.24Å; W408-R410 VanDerWaalsContact C-N 3.28Å; W408-R410 PolarHBondContact O-N 3.38Å; R410-W413 PolarHBondContact O-N 3.03Å; R410-T414 WeakPolarHBondContact O-CG2 3.49Å; R410-T414 PolarHBondContact O-N 3.19Å; R410-T414 PolarHBondContact O-OG1 3.07Å
411T84.1Confident86.6Confident23 Ų2354.6 Ų54.614%0.14131%0.305CS..Hα-helixtrans-62.4-48.8178.8-52.70000111I306 G307 S407 W408 V409 W413 T414 F415I306-T411 PolarHBondContact O-OG1 3.06Å; G307-T411 WeakPolarHBondContact CA-OG1 3.05Å; S407-T411 PolarHBondContact O-N 3Å; S407-T411 PolarHBondContact O-OG1 2.96Å; W408-T411 WeakPolarHBondContact O-CA 3.31Å; W408-T411 WeakPolarHBondContact O-CB 3.32Å; W408-T411 PolarHBondContact O-N 3.02Å; V409-T411 VanDerWaalsContact C-N 3.34Å; V409-T411 PolarHBondContact O-N 3.4Å; T411-W413 VanDerWaalsContact C-N 3.31Å; T411-W413 PolarHBondContact O-N 3.44Å; T411-T414 PolarHBondContact O-N 3.16Å; T411-T414 PolarHBondContact O-OG1 2.82Å; T411-F415 PolarHBondContact O-N 3.28Å
412D87.4Confident86.7Confident10 Ų1057.1 Ų57.15%0.05332%0.318CS..Hα-helixtrans-61.4-41.9178.3-66-22000111.1F16 A19 R20 W408 V409 T414 F415 Y416F16-D412 VanDerWaalsContact CD2-OD2 3.23Å; F16-D412 WeakPolarHBondContact CD2-OD2 3.4Å; A19-D412 HydrophobicContact CB-CB 4.34Å; A19-D412 VanDerWaalsContact CB-OD1 3.25Å; A19-D412 WeakPolarHBondContact CB-OD1 3.48Å; R20-D412 IonicContact CZ-OD1 3.75Å; R20-D412 IonicContact NE-OD1 2.91Å; R20-D412 IonicContact NH2-OD1 3.97Å; R20-D412 PolarHBondContact NH2-OD1 3.06Å; R20-D412 IonicContact NH2-OD2 2.84Å; W408-D412 PolarHBondContact O-N 3.1Å; V409-D412 PolarHBondContact O-N 3.21Å; D412-T414 PolarHBondContact O-N 3.22Å; D412-F415 WeakPolarHBondContact O-CB 3.3Å; D412-F415 PolarHBondContact O-N 2.65Å; D412-Y416 HydrophobicContact CB-CD2 4.46Å; D412-Y416 HydrophobicContact CB-CE2 4.41Å; D412-Y416 WeakPolarHBondContact O-CD2 3.41Å; D412-Y416 PolarHBondContact O-N 2.62Å
413W87.1Confident86.8Confident122 Ų12257.5 Ų57.546%0.46232%0.317SS..Hα-helixtrans-60-46.4175.1-179.3-101000112.1V409 R410 T411 F415 Y416 S417V409-W413 VanDerWaalsContact O-CB 3.32Å; V409-W413 WeakPolarHBondContact O-CB 3.46Å; V409-W413 PolarHBondContact O-N 2.86Å; R410-W413 PolarHBondContact O-N 3.03Å; T411-W413 VanDerWaalsContact C-N 3.31Å; T411-W413 PolarHBondContact O-N 3.44Å; W413-F415 VanDerWaalsContact C-N 3.29Å; W413-F415 PolarHBondContact O-N 3.05Å; W413-Y416 PolarHBondContact O-N 3.02Å; W413-S417 VanDerWaalsContact O-CB 3.28Å; W413-S417 WeakPolarHBondContact O-CB 3.13Å; W413-S417 PolarHBondContact O-N 2.92Å; W413-S417 PolarHBondContact O-OG 3.45Å
414T83.1Confident86.8Confident40 Ų4059.4 Ų59.425%0.24533%0.325CS..Hα-helixtrans-62.8-35.7175.358.70000112.5T317 R410 T411 D412 S417 S418T317-T414 HydrophobicContact CG2-CG2 4.23Å; R410-T414 WeakPolarHBondContact O-CG2 3.49Å; R410-T414 PolarHBondContact O-N 3.19Å; R410-T414 PolarHBondContact O-OG1 3.07Å; T411-T414 PolarHBondContact O-N 3.16Å; T411-T414 PolarHBondContact O-OG1 2.82Å; D412-T414 PolarHBondContact O-N 3.22Å; T414-S417 WeakPolarHBondContact CA-OG 3.44Å; T414-S417 PolarHBondContact O-OG 3.21Å; T414-S417 VanDerWaalsContact O-OG 3.09Å; T414-S418 WeakPolarHBondContact O-CB 3.31Å; T414-S418 PolarHBondContact O-N 3.23Å; T414-S418 PolarHBondContact O-OG 2.91Å
415F84.8Confident87Confident76 Ų7658.1 Ų58.133%0.33332%0.32SS..Hα-helixtrans-65.6-50.9176.3175.8-100.7000112T411 D412 W413 S418 H419T411-F415 PolarHBondContact O-N 3.28Å; D412-F415 WeakPolarHBondContact O-CB 3.3Å; D412-F415 PolarHBondContact O-N 2.65Å; W413-F415 VanDerWaalsContact C-N 3.29Å; W413-F415 PolarHBondContact O-N 3.05Å; F415-S418 PolarHBondContact O-N 2.71Å; F415-S418 PolarHBondContact O-OG 3.41Å; F415-H419 PolarHBondContact O-N 3.43Å; F415-H419 PolarHBondContact O-ND1 3.21Å
416Y86.6Confident87.1Confident15 Ų1554.6 Ų54.66%0.05930%0.303CS..Hα-helixtrans-70.6-37.5-178.9-73.5-63.6000112.9L15 A19 D412 W413 S418 H419 F423L15-Y416 HydrophobicContact CB-CE2 4Å; L15-Y416 HydrophobicContact CD2-CE1 3.88Å; L15-Y416 HydrophobicContact CD2-CE2 4.26Å; L15-Y416 PolarHBondContact O-OH 3.01Å; A19-Y416 HydrophobicContact CB-CE2 4.08Å; A19-Y416 PolarHBondContact N-OH 2.91Å; D412-Y416 HydrophobicContact CB-CD2 4.46Å; D412-Y416 HydrophobicContact CB-CE2 4.41Å; D412-Y416 WeakPolarHBondContact O-CD2 3.41Å; D412-Y416 PolarHBondContact O-N 2.62Å; W413-Y416 PolarHBondContact O-N 3.02Å; Y416-S418 PolarHBondContact O-N 2.89Å; Y416-H419 CarbonylContact O-C 3.47Å; Y416-H419 PolarHBondContact O-N 3.22Å; Y416-F423 HydrophobicContact CG-CD2 4.45Å
417S83.6Confident87.4Confident64 Ų6454.1 Ų54.145%0.44830%0.298SS..Hα-helixtrans-63-32174.554.40000112.6W413 T414 H419W413-S417 VanDerWaalsContact O-CB 3.28Å; W413-S417 WeakPolarHBondContact O-CB 3.13Å; W413-S417 PolarHBondContact O-N 2.92Å; W413-S417 PolarHBondContact O-OG 3.45Å; T414-S417 WeakPolarHBondContact CA-OG 3.44Å; T414-S417 PolarHBondContact O-OG 3.21Å; T414-S417 VanDerWaalsContact O-OG 3.09Å; S417-H419 VanDerWaalsContact C-N 3.28Å; S417-H419 PolarHBondContact O-N 3.26Å
418S81.1Confident87.5Confident50 Ų5057.5 Ų57.535%0.3532%0.316SS..Hα-helixtrans-74.8-15.6174.374.10000114T414 F415 Y416T414-S418 WeakPolarHBondContact O-CB 3.31Å; T414-S418 PolarHBondContact O-N 3.23Å; T414-S418 PolarHBondContact O-OG 2.91Å; F415-S418 PolarHBondContact O-N 2.71Å; F415-S418 PolarHBondContact O-OG 3.41Å; Y416-S418 PolarHBondContact O-N 2.89Å
419H85.1Confident87.7Confident64 Ų6455.7 Ų55.730%0.29632%0.319SS..  trans-127.972178.7-57.294.8000110.9F415 Y416 S417 A421 L422 F423F415-H419 PolarHBondContact O-N 3.43Å; F415-H419 PolarHBondContact O-ND1 3.21Å; Y416-H419 CarbonylContact O-C 3.47Å; Y416-H419 PolarHBondContact O-N 3.22Å; S417-H419 VanDerWaalsContact C-N 3.28Å; S417-H419 PolarHBondContact O-N 3.26Å; H419-A421 PolarHBondContact O-N 2.78Å; H419-L422 HydrophobicContact CB-CB 4.07Å; H419-L422 HydrophobicContact CB-CD1 3.82Å; H419-L422 HydrophobicContact CB-CG 4.08Å; H419-L422 PolarHBondContact O-N 3.47Å; H419-F423 PolarHBondContact O-N 3.41Å
420P87.3Confident87.9Confident95 Ų9552.8 Ų52.862%0.61730%0.3SS*.Hα-helixtrans-60.7-31.5-175.523.9-34.3000112.8F423 L424P420-F423 PolarHBondContact O-N 2.92Å; P420-L424 WeakPolarHBondContact O-CB 3.33Å; P420-L424 PolarHBondContact O-N 3.27Å
421A88.4Confident87.9Confident76 Ų7651.7 Ų51.763%0.62830%0.296SS*.Hα-helixtrans-64.5-41176.700000112.4H419 S425H419-A421 PolarHBondContact O-N 2.78Å; A421-S425 VanDerWaalsContact O-CB 3.32Å; A421-S425 WeakPolarHBondContact O-CB 3.49Å; A421-S425 PolarHBondContact O-N 3.41Å; A421-S425 PolarHBondContact O-OG 3.15Å
422L88.7Confident88.2Confident76 Ų7655.6 Ų55.640%0.39832%0.315SS..Hα-helixtrans-64.5-49.1176.5-71.8179.1000110.2H419 L424 S425 T426H419-L422 HydrophobicContact CB-CB 4.07Å; H419-L422 HydrophobicContact CB-CD1 3.82Å; H419-L422 HydrophobicContact CB-CG 4.08Å; H419-L422 PolarHBondContact O-N 3.47Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.09Å; L422-S425 PolarHBondContact O-N 3.02Å; L422-S425 VanDerWaalsContact O-N 3.16Å; L422-S425 PolarHBondContact O-OG 3.46Å; L422-T426 WeakPolarHBondContact O-CG2 3.3Å; L422-T426 PolarHBondContact O-N 3.31Å; L422-T426 PolarHBondContact O-OG1 3.04Å; L422-T426 VanDerWaalsContact O-OG1 3.11Å
423F89.7Confident88.4Confident44 Ų4459.8 Ų59.819%0.19334%0.337CS..Hα-helixtrans-57.6-43.5178.1179.8-97.6000112.7Y11 L15 L339 Y416 H419 P420 T426 Y427Y11-F423 AromaticContact CE1-CE2 3.92Å; Y11-F423 HydrophobicContact CE1-CE2 3.92Å; Y11-F423 HydrophobicContact CE1-CZ 4.11Å; Y11-F423 PolarHBondContact OH-O 3.13Å; Y11-F423 VanDerWaalsContact OH-O 3.05Å; L15-F423 HydrophobicContact CD1-CD2 3.99Å; L15-F423 HydrophobicContact CD1-CE2 3.69Å; L339-F423 HydrophobicContact CD1-CZ 4.22Å; L339-F423 HydrophobicContact CD2-CE1 4.22Å; L339-F423 HydrophobicContact CD2-CZ 4.35Å; Y416-F423 HydrophobicContact CG-CD2 4.45Å; H419-F423 PolarHBondContact O-N 3.41Å; P420-F423 PolarHBondContact O-N 2.92Å; F423-T426 PolarHBondContact O-OG1 3.44Å; F423-Y427 WeakPolarHBondContact O-CB 3.41Å; F423-Y427 PolarHBondContact O-N 3Å; F423-Y427 VanDerWaalsContact O-N 3.09Å
424L89.1Confident88.4Confident94 Ų9454.4 Ų54.449%0.49232%0.318SS..Hα-helixtrans-67.5-41.3177.5-173.565.1000111.5P420 L422 T426 Y427 L428P420-L424 WeakPolarHBondContact O-CB 3.33Å; P420-L424 PolarHBondContact O-N 3.27Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.09Å; L424-T426 PolarHBondContact O-N 2.93Å; L424-Y427 PolarHBondContact O-N 3.08Å; L424-L428 HydrophobicContact CG-CD1 4.23Å; L424-L428 HydrophobicContact CG-CG 4.47Å; L424-L428 WeakPolarHBondContact O-CB 3.31Å; L424-L428 VanDerWaalsContact O-CG 3.3Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.16Å
425S91.3Very high88.6Confident61 Ų6154.4 Ų54.443%0.42732%0.316SS..Hα-helixtrans-63.5-42179.374.30000112.5A421 L422 L428 A429A421-S425 VanDerWaalsContact O-CB 3.32Å; A421-S425 WeakPolarHBondContact O-CB 3.49Å; A421-S425 PolarHBondContact O-N 3.41Å; A421-S425 PolarHBondContact O-OG 3.15Å; L422-S425 PolarHBondContact O-N 3.02Å; L422-S425 VanDerWaalsContact O-N 3.16Å; L422-S425 PolarHBondContact O-OG 3.46Å; S425-L428 PolarHBondContact O-N 3.21Å; S425-A429 WeakPolarHBondContact O-CB 3.47Å; S425-A429 PolarHBondContact O-N 2.89Å
426T91.9Very high88.7Confident31 Ų3157 Ų5719%0.1933%0.325CS..Hα-helixtrans-68.2-37.6177.450.50000111.4Y11 L15 L18 L422 F423 L424 A429 H430Y11-T426 PolarHBondContact OH-OG1 3.04Å; L15-T426 HydrophobicContact CD2-CG2 4.48Å; L18-T426 HydrophobicContact CD1-CG2 4.37Å; L422-T426 WeakPolarHBondContact O-CG2 3.3Å; L422-T426 PolarHBondContact O-N 3.31Å; L422-T426 PolarHBondContact O-OG1 3.04Å; L422-T426 VanDerWaalsContact O-OG1 3.11Å; F423-T426 PolarHBondContact O-OG1 3.44Å; L424-T426 PolarHBondContact O-N 2.93Å; T426-A429 PolarHBondContact O-N 3.39Å; T426-H430 WeakPolarHBondContact O-CB 3.18Å; T426-H430 PolarHBondContact O-N 3.48Å
427Y92.2Very high88.6Confident6 Ų662.5 Ų62.52%0.02435%0.349CS..Hα-helixtrans-66.2-44.4176.1-176.6-98.7000111.9Y11 L339 W342 L343 F346 F423 L424 H430 G431Y11-Y427 HydrophobicContact CD1-CD2 4.04Å; Y11-Y427 AromaticContact CE1-CD2 3.73Å; Y11-Y427 HydrophobicContact CE1-CD2 3.73Å; Y11-Y427 HydrophobicContact CE2-CD2 4.34Å; Y11-Y427 HydrophobicContact CG-CD2 4.46Å; Y11-Y427 AromaticContact CZ-CD2 3.9Å; Y11-Y427 WeakPolarHBondContact OH-CB 3.46Å; Y11-Y427 PolarHBondContact OH-N 3Å; L339-Y427 HydrophobicContact CD2-CD2 4.47Å; L339-Y427 HydrophobicContact CD2-CE2 4.21Å; L339-Y427 PolarHBondContact O-OH 3.28Å; W342-Y427 HydrophobicContact CB-CE1 3.99Å; W342-Y427 WeakPolarHBondContact CB-OH 3.44Å; L343-Y427 HydrophobicContact CD2-CE2 4.12Å; L343-Y427 WeakPolarHBondContact CD2-OH 3.48Å; L343-Y427 WeakPolarHBondContact CG-OH 3.45Å; L343-Y427 PolarHBondContact N-OH 3.27Å; F346-Y427 HydrophobicContact CE2-CE1 4.42Å; F423-Y427 WeakPolarHBondContact O-CB 3.41Å; F423-Y427 PolarHBondContact O-N 3Å; F423-Y427 VanDerWaalsContact O-N 3.09Å; L424-Y427 PolarHBondContact O-N 3.08Å; Y427-H430 PolarHBondContact O-N 2.88Å; Y427-G431 PolarHBondContact O-N 3.43Å
428L91.4Very high88.5Confident71 Ų7160.6 Ų60.637%0.37233%0.333SS..Hα-helixtrans-62.3-43.2175.1-71.1175.2000111.5F346 L424 S425 H430 G431 L432F346-L428 HydrophobicContact CZ-CD2 3.9Å; L424-L428 HydrophobicContact CG-CD1 4.23Å; L424-L428 HydrophobicContact CG-CG 4.47Å; L424-L428 WeakPolarHBondContact O-CB 3.31Å; L424-L428 VanDerWaalsContact O-CG 3.3Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.16Å; S425-L428 PolarHBondContact O-N 3.21Å; L428-H430 PolarHBondContact O-N 3.41Å; L428-G431 PolarHBondContact O-N 3.28Å; L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 VanDerWaalsContact O-CG 3.32Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 3.08Å
429A92.1Very high88.5Confident49 Ų4964.9 Ų64.941%0.40535%0.345SS..Hα-helixtrans-61.3-43.7175.900000111.8S425 T426 L432 L433S425-A429 WeakPolarHBondContact O-CB 3.47Å; S425-A429 PolarHBondContact O-N 2.89Å; T426-A429 PolarHBondContact O-N 3.39Å; A429-L432 PolarHBondContact O-N 3.45Å; A429-L433 WeakPolarHBondContact O-CG 3.2Å; A429-L433 PolarHBondContact O-N 3.13Å
430H92.4Very high88.3Confident19 Ų1967.9 Ų67.99%0.08836%0.357CS..Hα-helixtrans-61-44.6174.1-178.672.2000112.2F7 Y11 T426 Y427 L428 L432 L433 I434F7-H430 PolarHBondContact O-NE2 3.1Å; Y11-H430 HydrophobicContact CD2-CB 3.75Å; Y11-H430 AromaticContact CD2-CD2 3.84Å; Y11-H430 AromaticContact CD2-CG 3.72Å; Y11-H430 HydrophobicContact CE2-CB 4.16Å; T426-H430 WeakPolarHBondContact O-CB 3.18Å; T426-H430 PolarHBondContact O-N 3.48Å; Y427-H430 PolarHBondContact O-N 2.88Å; L428-H430 PolarHBondContact O-N 3.41Å; H430-L432 PolarHBondContact O-N 3.05Å; H430-L433 WeakPolarHBondContact O-CB 3.46Å; H430-L433 PolarHBondContact O-N 2.87Å; H430-I434 WeakPolarHBondContact NE2-CD1 3.29Å; H430-I434 WeakPolarHBondContact O-CG1 3.19Å; H430-I434 PolarHBondContact O-N 2.67Å
431G89.4Confident87.8Confident0 Ų072.8 Ų72.80%036%0.364CS..Hα-helixtrans-60-44.1174.800000112.9F346 Y427 L428 L433 I434 D435F346-G431 WeakPolarHBondContact CB-O 3.25Å; F346-G431 WeakPolarHBondContact CD1-O 3.42Å; F346-G431 WeakPolarHBondContact CG-O 3.24Å; Y427-G431 PolarHBondContact O-N 3.43Å; L428-G431 PolarHBondContact O-N 3.28Å; G431-L433 PolarHBondContact O-N 2.87Å; G431-I434 WeakPolarHBondContact O-CB 3.38Å; G431-I434 PolarHBondContact O-N 3.45Å; G431-D435 PolarHBondContact O-N 3.07Å
432L90.5Very high86.8Confident104 Ų10473.9 Ų73.955%0.54535%0.352SS..Hα-helixtrans-65.8-35.5175.6-70.7175.2000112.7F346 L428 A429 H430 I434 D435 Y436F346-L432 HydrophobicContact CD1-CD2 4.47Å; F346-L432 HydrophobicContact CE1-CD2 4.08Å; F346-L432 HydrophobicContact CE1-CG 4.21Å; L428-L432 WeakPolarHBondContact O-CB 3.36Å; L428-L432 VanDerWaalsContact O-CG 3.32Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 3.08Å; A429-L432 PolarHBondContact O-N 3.45Å; H430-L432 PolarHBondContact O-N 3.05Å; L432-I434 VanDerWaalsContact C-N 3.34Å; L432-D435 PolarHBondContact O-N 2.79Å; L432-Y436 WeakPolarHBondContact O-CB 3.26Å; L432-Y436 PolarHBondContact O-N 2.98Å
433L90.3Very high85.4Confident98 Ų9874.1 Ų74.151%0.51336%0.359SS..Hα-helixtrans-63.9-41.6172.6-74171.5000111A429 H430 G431 Y436 F437A429-L433 WeakPolarHBondContact O-CG 3.2Å; A429-L433 PolarHBondContact O-N 3.13Å; H430-L433 WeakPolarHBondContact O-CB 3.46Å; H430-L433 PolarHBondContact O-N 2.87Å; G431-L433 PolarHBondContact O-N 2.87Å; L433-Y436 WeakPolarHBondContact O-CB 3.28Å; L433-Y436 PolarHBondContact O-N 2.95Å; L433-F437 WeakPolarHBondContact O-CD2 3.5Å; L433-F437 PolarHBondContact O-N 3.01Å
434I88.1Confident83.9Confident10 Ų1078.9 Ų78.95%0.05139%0.386CS..Hα-helixtrans-62.3-49.3174.7-66.7166000110.6F7 L343 I347 H430 G431 L432 Y436 F437 E438F7-I434 HydrophobicContact CB-CD1 3.88Å; F7-I434 HydrophobicContact CD1-CD1 4.2Å; F7-I434 HydrophobicContact CD1-CG1 4.37Å; F7-I434 HydrophobicContact CD2-CD1 4.32Å; F7-I434 HydrophobicContact CD2-CG2 4.47Å; F7-I434 HydrophobicContact CE2-CG2 4.21Å; F7-I434 HydrophobicContact CG-CD1 3.92Å; F7-I434 HydrophobicContact CG-CG1 4.49Å; F7-I434 HydrophobicContact CZ-CG2 4.46Å; L343-I434 HydrophobicContact CD2-CD1 4.29Å; I347-I434 HydrophobicContact CG1-CG2 4.44Å; H430-I434 WeakPolarHBondContact NE2-CD1 3.29Å; H430-I434 WeakPolarHBondContact O-CG1 3.19Å; H430-I434 PolarHBondContact O-N 2.67Å; G431-I434 WeakPolarHBondContact O-CB 3.38Å; G431-I434 PolarHBondContact O-N 3.45Å; L432-I434 VanDerWaalsContact C-N 3.34Å; I434-Y436 VanDerWaalsContact C-N 3.26Å; I434-Y436 PolarHBondContact O-N 3.45Å; I434-F437 PolarHBondContact O-N 3.37Å; I434-E438 HydrophobicContact CG2-CG 4.29Å; I434-E438 WeakPolarHBondContact O-CB 3.19Å; I434-E438 WeakPolarHBondContact O-CG 2.95Å; I434-E438 PolarHBondContact O-N 3.33Å
435D85.9Confident82.3Confident39 Ų3981 Ų8121%0.20940%0.398CS..Hα-helixtrans-56.9-41176.3178.786.1000110.9F346 R355 G431 L432 E438 K439F346-D435 HydrophobicContact CB-CB 4.33Å; F346-D435 HydrophobicContact CD1-CB 4.49Å; R355-D435 IonicContact CZ-OD1 3.4Å; R355-D435 IonicContact NH1-OD1 3.64Å; R355-D435 PolarHBondContact NH1-OD1 3.45Å; R355-D435 IonicContact NH2-OD1 3.51Å; R355-D435 PolarHBondContact NH2-OD1 3.41Å; G431-D435 PolarHBondContact O-N 3.07Å; L432-D435 PolarHBondContact O-N 2.79Å; D435-E438 PolarHBondContact O-N 3Å; D435-K439 VanDerWaalsContact O-CB 3.25Å; D435-K439 WeakPolarHBondContact O-CB 3.46Å; D435-K439 PolarHBondContact O-N 2.87Å
436Y86.9Confident80Confident132 Ų13285.9 Ų85.952%0.51841%0.414SS..Hα-helixtrans-62.6-48.4174.5175.4-97.8000113L432 L433 I434 K439 K440L432-Y436 WeakPolarHBondContact O-CB 3.26Å; L432-Y436 PolarHBondContact O-N 2.98Å; L433-Y436 WeakPolarHBondContact O-CB 3.28Å; L433-Y436 PolarHBondContact O-N 2.95Å; I434-Y436 VanDerWaalsContact C-N 3.26Å; I434-Y436 PolarHBondContact O-N 3.45Å; Y436-K439 PolarHBondContact O-N 2.86Å; Y436-K440 HydrophobicContact CE1-CD 4.29Å; Y436-K440 WeakPolarHBondContact O-CB 3.34Å; Y436-K440 PolarHBondContact O-N 3.15Å
437F85.3Confident77.5Confident130 Ų13093.2 Ų93.257%0.5745%0.446SS*.Hα-helixtrans-66.2-38.4178.8-81.1-66.1000112.1L433 I434 K440 R441L433-F437 WeakPolarHBondContact O-CD2 3.5Å; L433-F437 PolarHBondContact O-N 3.01Å; I434-F437 PolarHBondContact O-N 3.37Å; F437-K440 PolarHBondContact O-N 2.77Å; F437-R441 WeakPolarHBondContact O-CB 3Å; F437-R441 PolarHBondContact O-N 3.19Å
438E81.9Confident75.1Confident24 Ų24102 Ų10211%0.11249%0.488CS..Hα-helixtrans-65-43.4174.4-75.1-159.3177.200111.5I434 D435 K440 R441 R442I434-E438 HydrophobicContact CG2-CG 4.29Å; I434-E438 WeakPolarHBondContact O-CB 3.19Å; I434-E438 WeakPolarHBondContact O-CG 2.95Å; I434-E438 PolarHBondContact O-N 3.33Å; D435-E438 PolarHBondContact O-N 3Å; E438-K440 PolarHBondContact O-N 2.83Å; E438-R441 PolarHBondContact O-N 2.94Å; E438-R442 WeakPolarHBondContact O-CB 3.19Å; E438-R442 VanDerWaalsContact O-CG 3.25Å; E438-R442 WeakPolarHBondContact O-CG 3.43Å; E438-R442 PolarHBondContact O-N 3.38Å; E438-R442 IonicContact OE2-CZ 3.87Å; E438-R442 IonicContact OE2-NH1 3.18Å; E438-R442 IonicContact OE2-NH2 2.86Å; E438-R442 PolarHBondContact OE2-NH2 2.89Å
439K80.7Confident72.7Confident140 Ų140105.7 Ų105.761%0.60951%0.508SS*.Hα-helixtrans-62-43.5175.4-170.1174.5-177177.50111.6D435 Y436 R442 C443D435-K439 VanDerWaalsContact O-CB 3.25Å; D435-K439 WeakPolarHBondContact O-CB 3.46Å; D435-K439 PolarHBondContact O-N 2.87Å; Y436-K439 PolarHBondContact O-N 2.86Å; K439-R442 PolarHBondContact O-N 3.25Å; K439-C443 PolarHBondContact O-N 3.49Å
440K81.8Confident70.7Confident126 Ų126108 Ų10855%0.54852%0.518SS..Hα-helixtrans-65.3-40.6176.8-175.2174.7-179.5176.60112.7Y436 F437 E438 R442Y436-K440 HydrophobicContact CE1-CD 4.29Å; Y436-K440 WeakPolarHBondContact O-CB 3.34Å; Y436-K440 PolarHBondContact O-N 3.15Å; F437-K440 PolarHBondContact O-N 2.77Å; E438-K440 PolarHBondContact O-N 2.83Å; K440-R442 PolarHBondContact O-N 3.48Å
441R76.3Confident68.7Low198 Ų198113.3 Ų113.375%0.74755%0.548SS*.Hα-helixtrans-61.8-33.2174.4-174.4178.7-178.51791.1111.5F437 E438F437-R441 WeakPolarHBondContact O-CB 3Å; F437-R441 PolarHBondContact O-N 3.19Å; E438-R441 PolarHBondContact O-N 2.94Å
442R66.3Low67Low99 Ų99118.3 Ų118.337%0.37457%0.574SS.*Hα-helixtrans-84.8-30.2-177.6-71.2174.9-173150.911114.4Q349 E438 K439 K440 N444 N445Q349-R442 VanDerWaalsContact NE2-NE 3.17Å; Q349-R442 VanDerWaalsContact NE2-NH1 3.14Å; E438-R442 WeakPolarHBondContact O-CB 3.19Å; E438-R442 VanDerWaalsContact O-CG 3.25Å; E438-R442 WeakPolarHBondContact O-CG 3.43Å; E438-R442 PolarHBondContact O-N 3.38Å; E438-R442 IonicContact OE2-CZ 3.87Å; E438-R442 IonicContact OE2-NH1 3.18Å; E438-R442 IonicContact OE2-NH2 2.86Å; E438-R442 PolarHBondContact OE2-NH2 2.89Å; K439-R442 PolarHBondContact O-N 3.25Å; K440-R442 PolarHBondContact O-N 3.48Å; R442-N444 PolarHBondContact O-N 3.33Å; R442-N445 CarbonylContact O-C 3.6Å; R442-N445 WeakPolarHBondContact O-CA 3.34Å; R442-N445 PolarHBondContact O-N 3.5Å
443C60.4Low65.2Low81 Ų81119.8 Ų119.855%0.54758%0.582SS.*THydrogen-bonded Turntrans-59.9-15.9170.1-84.10000113.4K439K439-C443 PolarHBondContact O-N 3.49Å
444N57.6Low63.8Low145 Ų145121 Ų12178%0.77559%0.585SS**THydrogen-bonded Turntrans-82-11170.4-92.99.2000114R442R442-N444 PolarHBondContact O-N 3.33Å
445N54.9Low62.6Low138 Ų138122 Ų12274%0.73859%0.588SS**SBendtrans-132.744.9-171.6-78.510.5000111.7R442 E447R442-N445 CarbonylContact O-C 3.6Å; R442-N445 WeakPolarHBondContact O-CA 3.34Å; R442-N445 PolarHBondContact O-N 3.5Å; N445-E447 PolarHBondContact O-N 3.16Å
446E44.4Very low61.1Low164 Ų164123.9 Ų123.977%0.76660%0.598SS**  trans-73.7112.6177.5-80.6-175.8170.200112
447E38.7Very low59.8Low185 Ų185120.8 Ų120.886%0.86460%0.595SS**  trans-152.1132.1140.1-110.9169.9-160.700110N445N445-E447 PolarHBondContact O-N 3.16Å
448E41.5Very low58.7Low190 Ų190117.8 Ų117.889%0.88859%0.59SS**  trans74.3129.9164-58.8-170.1157.900121.9
449N42.3Very low57.4Low149 Ų149118.3 Ų118.380%0.79759%0.594SS**  trans-124.6104.1-179.2-171.832.7000107.9
450P48.8Very low56.4Low96 Ų96119.6 Ų119.662%0.62360%0.595SS**  trans-85.7157.6175.632.7-29.4000111.4
451N50.4Low55.3Low132 Ų132118.6 Ų118.671%0.70660%0.596SS**  trans-59.3143.6-166.1-74.2-44.7000114.8L453N451-L453 PolarHBondContact O-N 2.97Å
452N53.7Low54.5Low104 Ų104114.3 Ų114.356%0.55658%0.58SS**THydrogen-bonded Turntrans-67.83.8-169.3-78.3-60000117.1W455N452-W455 PolarHBondContact O-NE1 2.96Å
453L53.9Low53.7Low135 Ų135115.5 Ų115.571%0.70759%0.585SS**THydrogen-bonded Turntrans-115.9-19.4-176.5-86.7109.6000115.7N451 W455 L456N451-L453 PolarHBondContact O-N 2.97Å; L453-W455 PolarHBondContact O-N 3.47Å; L453-L456 PolarHBondContact O-N 3.29Å
454E60.8Low53.4Low125 Ų125114 Ų11458%0.58457%0.573SS**Hα-helixtrans-66.9-25.6-179.2-75173.3163.700113.3L456 S457 S458E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.02Å; E454-S457 PolarHBondContact O-OG 2.99Å; E454-S458 PolarHBondContact O-N 3.3Å; E454-S458 VanDerWaalsContact O-N 3.16Å; E454-S458 PolarHBondContact O-OG 3.14Å
455W61.5Low53.3Low30 Ų30109.5 Ų109.511%0.11455%0.553CS.*Hα-helixtrans-74.3-23.1-179.578.7-80000113.3K354 V357 V358 N452 L453 S458 L459K354-W455 VanDerWaalsContact CA-CZ2 3.44Å; K354-W455 HydrophobicContact CB-CD2 4.13Å; K354-W455 HydrophobicContact CB-CE3 4.27Å; K354-W455 HydrophobicContact CB-CH2 3.7Å; K354-W455 HydrophobicContact CB-CZ2 3.41Å; K354-W455 VanDerWaalsContact CB-CZ2 3.41Å; K354-W455 HydrophobicContact CB-CZ3 4.05Å; K354-W455 HydrophobicContact CD-CB 4.4Å; K354-W455 HydrophobicContact CD-CD2 3.35Å; K354-W455 HydrophobicContact CD-CE3 3.73Å; K354-W455 HydrophobicContact CD-CG 3.6Å; K354-W455 HydrophobicContact CD-CZ2 4.25Å; K354-W455 HydrophobicContact CD-CZ3 4.35Å; K354-W455 VanDerWaalsContact CE-CD2 3.5Å; K354-W455 VanDerWaalsContact CE-CG 3.48Å; K354-W455 HydrophobicContact CG-CD2 3.55Å; K354-W455 HydrophobicContact CG-CE3 3.49Å; K354-W455 VanDerWaalsContact CG-CE3 3.49Å; K354-W455 HydrophobicContact CG-CG 4.33Å; K354-W455 HydrophobicContact CG-CH2 3.81Å; K354-W455 HydrophobicContact CG-CZ2 3.77Å; K354-W455 HydrophobicContact CG-CZ3 3.61Å; V357-W455 HydrophobicContact CB-CH2 3.74Å; V357-W455 HydrophobicContact CB-CZ3 4.06Å; V357-W455 HydrophobicContact CG1-CH2 3.96Å; V357-W455 HydrophobicContact CG1-CZ3 3.99Å; V357-W455 HydrophobicContact CG2-CH2 4.08Å; V358-W455 HydrophobicContact CG2-CZ3 4.18Å; N452-W455 PolarHBondContact O-NE1 2.96Å; L453-W455 PolarHBondContact O-N 3.47Å; W455-S458 WeakPolarHBondContact CA-OG 3.43Å; W455-S458 PolarHBondContact O-OG 3.37Å; W455-L459 HydrophobicContact CE3-CD1 3.31Å; W455-L459 HydrophobicContact CH2-CD1 4.39Å; W455-L459 HydrophobicContact CZ3-CD1 3.17Å; W455-L459 WeakPolarHBondContact O-CB 3.27Å; W455-L459 PolarHBondContact O-N 3.08Å; W455-L459 VanDerWaalsContact O-N 3.14Å
456L54.7Low53Low79 Ų79109.3 Ų109.341%0.41454%0.543SS..Hα-helixtrans-75.1-42.4178.1-80.4170.4000110.8L453 E454 L459 W460L453-L456 PolarHBondContact O-N 3.29Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-L456 PolarHBondContact O-N 3.02Å; L456-L459 PolarHBondContact O-N 3.47Å; L456-W460 WeakPolarHBondContact O-CB 3.4Å; L456-W460 PolarHBondContact O-N 3.46Å
457S60.8Low53.2Low66 Ų66106.7 Ų106.746%0.46253%0.534SS..Hα-helixtrans-65.3-42.4173.848.20000111.1E454 L459 W460 D461E454-S457 PolarHBondContact O-OG 2.99Å; S457-L459 VanDerWaalsContact C-N 3.33Å; S457-L459 PolarHBondContact O-N 2.9Å; S457-W460 WeakPolarHBondContact O-CB 3.35Å; S457-W460 PolarHBondContact O-N 3.14Å; S457-D461 PolarHBondContact O-N 2.88Å
458S61.1Low53.6Low67 Ų67102.5 Ų102.547%0.46952%0.521SS..Hα-helixtrans-64.4-34.9177.5710000113.5E454 W455 W462E454-S458 PolarHBondContact O-N 3.3Å; E454-S458 VanDerWaalsContact O-N 3.16Å; E454-S458 PolarHBondContact O-OG 3.14Å; W455-S458 WeakPolarHBondContact CA-OG 3.43Å; W455-S458 PolarHBondContact O-OG 3.37Å; S458-W462 WeakPolarHBondContact O-CB 3.43Å; S458-W462 PolarHBondContact O-N 3.19Å; S458-W462 VanDerWaalsContact O-N 3.08Å
459L54.1Low53.7Low36 Ų3699 Ų9919%0.18850%0.504CS..Hα-helixtrans-72.2-36.2174.6-101.2162.8000112.5V357 V358 W455 L456 S457 W462 Y463V357-L459 HydrophobicContact CG1-CD1 4.25Å; V358-L459 HydrophobicContact CG2-CD1 3.96Å; W455-L459 HydrophobicContact CE3-CD1 3.31Å; W455-L459 HydrophobicContact CH2-CD1 4.39Å; W455-L459 HydrophobicContact CZ3-CD1 3.17Å; W455-L459 WeakPolarHBondContact O-CB 3.27Å; W455-L459 PolarHBondContact O-N 3.08Å; W455-L459 VanDerWaalsContact O-N 3.14Å; L456-L459 PolarHBondContact O-N 3.47Å; S457-L459 VanDerWaalsContact C-N 3.33Å; S457-L459 PolarHBondContact O-N 2.9Å; L459-W462 HydrophobicContact CD2-CE3 4.03Å; L459-W462 HydrophobicContact CD2-CZ3 4.37Å; L459-W462 PolarHBondContact O-N 3.46Å; L459-Y463 VanDerWaalsContact O-CB 3.27Å; L459-Y463 WeakPolarHBondContact O-CB 3.27Å; L459-Y463 PolarHBondContact O-N 2.94Å
460W59.7Low53.5Low167 Ų16796.9 Ų96.963%0.63350%0.498SS*.Hα-helixtrans-64.4-44.4174.6-172.4-101.7000110.8L456 S457 W462 Y463 T464L456-W460 WeakPolarHBondContact O-CB 3.4Å; L456-W460 PolarHBondContact O-N 3.46Å; S457-W460 WeakPolarHBondContact O-CB 3.35Å; S457-W460 PolarHBondContact O-N 3.14Å; W460-W462 VanDerWaalsContact C-N 3.34Å; W460-W462 PolarHBondContact O-N 2.9Å; W460-Y463 PolarHBondContact O-N 3.16Å; W460-T464 HydrophobicContact CD2-CG2 4.48Å; W460-T464 WeakPolarHBondContact O-CB 3.41Å; W460-T464 VanDerWaalsContact O-CG2 3.27Å; W460-T464 WeakPolarHBondContact O-CG2 3.26Å; W460-T464 PolarHBondContact O-N 2.9Å; W460-T464 PolarHBondContact O-OG1 3Å
461D58.9Low53.3Low104 Ų10499.4 Ų99.456%0.55651%0.505SS*.Hα-helixtrans-64.7-35.4175.4-75.8-14.4000113.2S457 T464 S465S457-D461 PolarHBondContact O-N 2.88Å; D461-T464 WeakPolarHBondContact CA-OG1 3.49Å; D461-T464 PolarHBondContact O-OG1 2.76Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; D461-S465 WeakPolarHBondContact O-CB 3.36Å; D461-S465 PolarHBondContact O-N 3.06Å; D461-S465 PolarHBondContact O-OG 3.07Å
462W61.3Low52.8Low108 Ų10898.3 Ų98.341%0.40950%0.503SS..Hα-helixtrans-70.1-39.3173176.876.5000112.6S361 T365 S458 L459 W460 S465 Y466S361-W462 WeakPolarHBondContact OG-CZ3 3.39Å; T365-W462 HydrophobicContact CG2-CH2 3.53Å; T365-W462 HydrophobicContact CG2-CZ2 4.27Å; T365-W462 HydrophobicContact CG2-CZ3 4.32Å; S458-W462 WeakPolarHBondContact O-CB 3.43Å; S458-W462 PolarHBondContact O-N 3.19Å; S458-W462 VanDerWaalsContact O-N 3.08Å; L459-W462 HydrophobicContact CD2-CE3 4.03Å; L459-W462 HydrophobicContact CD2-CZ3 4.37Å; L459-W462 PolarHBondContact O-N 3.46Å; W460-W462 VanDerWaalsContact C-N 3.34Å; W460-W462 PolarHBondContact O-N 2.9Å; W462-S465 WeakPolarHBondContact CA-OG 3.36Å; W462-S465 PolarHBondContact O-OG 3.24Å; W462-Y466 WeakPolarHBondContact O-CB 3.48Å; W462-Y466 PolarHBondContact O-N 3.45Å; W462-Y466 VanDerWaalsContact O-N 3.14Å
463Y48.9Very low52Low125 Ų12598 Ų9849%0.4951%0.509SS..Hα-helixtrans-68.5-41.1177.7-177.7-100.7000112.2L459 W460 L467L459-Y463 VanDerWaalsContact O-CB 3.27Å; L459-Y463 WeakPolarHBondContact O-CB 3.27Å; L459-Y463 PolarHBondContact O-N 2.94Å; W460-Y463 PolarHBondContact O-N 3.16Å; Y463-L467 HydrophobicContact CD1-CD1 4.02Å; Y463-L467 HydrophobicContact CD2-CD1 4.31Å; Y463-L467 HydrophobicContact CE1-CD1 3.4Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.4Å; Y463-L467 HydrophobicContact CE2-CD1 3.74Å; Y463-L467 HydrophobicContact CG-CD1 4.44Å; Y463-L467 PolarHBondContact O-N 3.22Å; Y463-L467 WeakPolarHBondContact OH-CD1 3.49Å
464T52.7Low51.2Low49 Ų49100.1 Ų100.130%0.30151%0.513SS..Hα-helixtrans-69-38.9177.355.10000111.7W460 D461 V468W460-T464 HydrophobicContact CD2-CG2 4.48Å; W460-T464 WeakPolarHBondContact O-CB 3.41Å; W460-T464 VanDerWaalsContact O-CG2 3.27Å; W460-T464 WeakPolarHBondContact O-CG2 3.26Å; W460-T464 PolarHBondContact O-N 2.9Å; W460-T464 PolarHBondContact O-OG1 3Å; D461-T464 WeakPolarHBondContact CA-OG1 3.49Å; D461-T464 PolarHBondContact O-OG1 2.76Å; D461-T464 VanDerWaalsContact O-OG1 3.06Å; T464-V468 WeakPolarHBondContact O-CB 3.32Å; T464-V468 VanDerWaalsContact O-CG2 3.26Å; T464-V468 WeakPolarHBondContact O-CG2 3.21Å; T464-V468 PolarHBondContact O-N 3.02Å
465S57.1Low50.2Low51 Ų51102.4 Ų102.436%0.35752%0.523SS..Hα-helixtrans-65.9-38.4175.652.40000113.1D461 W462 H469D461-S465 WeakPolarHBondContact O-CB 3.36Å; D461-S465 PolarHBondContact O-N 3.06Å; D461-S465 PolarHBondContact O-OG 3.07Å; W462-S465 WeakPolarHBondContact CA-OG 3.36Å; W462-S465 PolarHBondContact O-OG 3.24Å; S465-H469 PolarHBondContact O-N 3.06Å
466Y48.4Very low48.8Very low133 Ų133108.6 Ų108.652%0.52256%0.558SS.*Hα-helixtrans-73.7-32.1-179.4-156.9-97.5000113.8W462W462-Y466 WeakPolarHBondContact O-CB 3.48Å; W462-Y466 PolarHBondContact O-N 3.45Å; W462-Y466 VanDerWaalsContact O-N 3.14Å
467L47.6Very low47.5Very low110 Ų110114.9 Ų114.958%0.57658%0.583SS**Hα-helixtrans-86.1-24.3178.2-75.7173.7000113.9Y463Y463-L467 HydrophobicContact CD1-CD1 4.02Å; Y463-L467 HydrophobicContact CD2-CD1 4.31Å; Y463-L467 HydrophobicContact CE1-CD1 3.4Å; Y463-L467 VanDerWaalsContact CE1-CD1 3.4Å; Y463-L467 HydrophobicContact CE2-CD1 3.74Å; Y463-L467 HydrophobicContact CG-CD1 4.44Å; Y463-L467 PolarHBondContact O-N 3.22Å; Y463-L467 WeakPolarHBondContact OH-CD1 3.49Å
468V47.9Very low46.3Very low96 Ų96117.4 Ų117.458%0.58260%0.598SS**Hα-helixtrans-108.1-21-172-174.20000113T464T464-V468 WeakPolarHBondContact O-CB 3.32Å; T464-V468 VanDerWaalsContact O-CG2 3.26Å; T464-V468 WeakPolarHBondContact O-CG2 3.21Å; T464-V468 PolarHBondContact O-N 3.02Å
469H42.6Very low44.7Very low117 Ų117122 Ų12254%0.54262%0.617SS.*  trans-133.282.1-178.6-65.4-66.9000114.3S465 I471S465-H469 PolarHBondContact O-N 3.06Å; H469-I471 VanDerWaalsContact C-N 3.27Å; H469-I471 PolarHBondContact O-N 3.24Å
470P37.8Very low43.8Very low104 Ų104128.7 Ų128.768%0.67565%0.647SS**THydrogen-bonded Turntrans-70.9-11.2179.824.2-30.7000115.5
471I44.9Very low42.6Very low150 Ų150126.1 Ų126.177%0.76966%0.655SS**THydrogen-bonded Turntrans-94.5-15.2-169.4-60.8174.5000113.9H469 S473H469-I471 VanDerWaalsContact C-N 3.27Å; H469-I471 PolarHBondContact O-N 3.24Å; I471-S473 VanDerWaalsContact C-N 3.26Å; I471-S473 PolarHBondContact O-N 3.5Å
472T40.6Very low41.4Very low109 Ų109127.9 Ų127.967%0.66966%0.664SS**G310 helixtrans-80.93.1-174.348.60000115F474T472-F474 PolarHBondContact O-N 3.22Å
473S38Very low40.1Very low96 Ų96133.8 Ų133.867%0.67169%0.687SS**G310 helixtrans-85.2-1.3-178.451.50000115.2I471I471-S473 VanDerWaalsContact C-N 3.26Å; I471-S473 PolarHBondContact O-N 3.5Å
474F36.7Very low39.3Very low181 Ų181135.6 Ų135.679%0.79471%0.705SS**G310 helixtrans-104.3-1.3-176.8-85.6-75.8000116.6T472T472-F474 PolarHBondContact O-N 3.22Å
475H38.6Very low38.6Very low173 Ų173140.5 Ų140.580%0.80173%0.729SS**  trans-132.189.8173.6-91.4-66.7000110.7
476N32.6Very low37.9Very low159 Ų159142.7 Ų142.785%0.8574%0.737SS**  trans-153.991.9152.5-97.8-17.6000110
477F27.1Very low38Very low212 Ų212141 Ų14193%0.9374%0.742SS**PPolyproline II helixtrans-94.6119.2144.8-94.1-86.5000106
478P36.7Very low37.8Very low119 Ų119141.1 Ų141.177%0.77374%0.743SS**PPolyproline II helixtrans-90.9122.6166.629.5-19.8000108.7
479N26.5Very low37.6Very low163 Ų163143.1 Ų143.187%0.87274%0.744SS**PPolyproline II helixtrans-99135.7151.7-155.640.5000106.9
480E35.5Very low37.8Very low177 Ų177142.7 Ų142.783%0.82775%0.746SS**PPolyproline II helixtrans-57.8160-174.5-71.4-177.9140.700113.9
481S33.7Very low38.2Very low112 Ų112144.1 Ų144.178%0.78375%0.747SS**  trans99125.2164.480.80000116.9
482D34.1Very low38.2Very low141 Ų141143.5 Ų143.575%0.75474%0.741SS**  trans84.184.7172.7-69.2-10.5000117.8
483W33.2Very low38.3Very low233 Ų233145.8 Ų145.888%0.88374%0.737SS**  trans-155.175142.9-69.7106000110.2
484D33.8Very low38.6Very low163 Ų163148.2 Ų148.287%0.87274%0.742SS**  trans-98.389.2146.7-87.7-33.1000105.2
485D37.8Very low38.9Very low151 Ų151142.7 Ų142.781%0.80773%0.729SS**SBendtrans-169.8137.3156-89.7-33.4000111.5
486D42.9Very low38.9Very low98 Ų98140.7 Ų140.752%0.52472%0.719SS.*  trans-23.9120.7-171.8-159.9-11.4000119.5N488 F489D486-N488 PolarHBondContact O-N 3.39Å; D486-N488 VanDerWaalsContact O-N 3.17Å; D486-N488 PolarHBondContact OD1-N 3.39Å; D486-N488 PolarHBondContact OD1-ND2 3.47Å; D486-N488 VanDerWaalsContact OD1-ND2 3.1Å; D486-F489 PolarHBondContact O-N 3.1Å
487P49Very low39.2Very low98 Ų98138.2 Ų138.264%0.63671%0.711SS**THydrogen-bonded Turntrans-68.3-11.3-179.326.4-34.1000115.4F489 L490P487-F489 VanDerWaalsContact C-N 3.26Å; P487-F489 PolarHBondContact O-N 3.35Å; P487-L490 PolarHBondContact O-N 3.17Å
488N43.4Very low39.7Very low112 Ų112134.8 Ų134.860%0.59970%0.703SS**Hα-helixtrans-67.7-26.4176.8-69.9-47.6000112.9D486 L490 E492D486-N488 PolarHBondContact O-N 3.39Å; D486-N488 VanDerWaalsContact O-N 3.17Å; D486-N488 PolarHBondContact OD1-N 3.39Å; D486-N488 PolarHBondContact OD1-ND2 3.47Å; D486-N488 VanDerWaalsContact OD1-ND2 3.1Å; N488-L490 VanDerWaalsContact C-N 3.34Å; N488-L490 PolarHBondContact O-N 3.46Å; N488-E492 PolarHBondContact O-N 3.42Å
489F44.6Very low39.9Very low137 Ų137134.7 Ų134.760%0.60170%0.695SS**Hα-helixtrans-74.1-25.1-178.6-149.8-97.5000113.1D486 P487 R493D486-F489 PolarHBondContact O-N 3.1Å; P487-F489 VanDerWaalsContact C-N 3.26Å; P487-F489 PolarHBondContact O-N 3.35Å; F489-R493 WeakPolarHBondContact O-CG 3.44Å; F489-R493 PolarHBondContact O-N 3.47Å
490L45.7Very low40.9Very low109 Ų109138.2 Ų138.257%0.57170%0.696SS**Hα-helixtrans-78.1-33.8177.6-100.5160.9000112.4P487 N488 R493 L494P487-L490 PolarHBondContact O-N 3.17Å; N488-L490 VanDerWaalsContact C-N 3.34Å; N488-L490 PolarHBondContact O-N 3.46Å; L490-R493 PolarHBondContact O-N 3.42Å; L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 3.48Å
491L46.5Very low41.2Very low133 Ų133137.1 Ų137.170%0.69670%0.695SS**Hα-helixtrans-71.9-36.6179.1-122.2133.5000111.7L494L491-L494 PolarHBondContact O-N 3.4Å
492E46.2Very low41.7Very low138 Ų138138.8 Ų138.865%0.64569%0.69SS**Hα-helixtrans-70.4-30.9176.1-154.8165.7-160.300112.2N488 L494N488-E492 PolarHBondContact O-N 3.42Å; E492-L494 PolarHBondContact O-N 3.46Å
493R41.8Very low42.3Very low157 Ų157136.6 Ų136.659%0.59268%0.684SS**Hα-helixtrans-72.7-20175-76.317890.3146.35.2114.7F489 L490F489-R493 WeakPolarHBondContact O-CG 3.44Å; F489-R493 PolarHBondContact O-N 3.47Å; L490-R493 PolarHBondContact O-N 3.42Å
494L44.6Very low43.2Very low147 Ų147131.9 Ų131.977%0.7768%0.675SS**Hα-helixtrans-95.9-13.6-178.5-70.7170.5000113.5L490 L491 E492L490-L494 WeakPolarHBondContact O-CG 3.34Å; L490-L494 PolarHBondContact O-N 3.48Å; L491-L494 PolarHBondContact O-N 3.4Å; E492-L494 PolarHBondContact O-N 3.46Å
495A43Very low44.5Very low64 Ų64125.6 Ų125.653%0.52964%0.641SS.*SBendtrans-84.6-6-171.500000115.5
496F39.3Very low45.8Very low132 Ų132122.6 Ų122.658%0.57963%0.63SS**  trans-130113.8-175.2-63.7-77.9000112.7D498F496-D498 PolarHBondContact O-N 3.17Å; F496-D498 VanDerWaalsContact O-N 3.17Å
497P38.4Very low47Very low106 Ų106122.4 Ų122.469%0.68863%0.628SS**G310 helixtrans-69.1-8.4-177-16.429.7000115.5
498D37.1Very low48Very low141 Ų141123.3 Ų123.375%0.75463%0.627SS**G310 helixtrans-88.3-5.4-167.4-72.5-26.4000115.2F496F496-D498 PolarHBondContact O-N 3.17Å; F496-D498 VanDerWaalsContact O-N 3.17Å
499L40.9Very low49.6Very low117 Ų117119.8 Ų119.861%0.61361%0.606SS**G310 helixtrans-85.9-4.3-175.4-101.6116.1000115.6L501L499-L501 PolarHBondContact O-N 3.19Å
500W46.7Very low51.3Low236 Ų236113.5 Ų113.589%0.89458%0.579SS**G310 helixtrans-74.9-2.6-176.3-71.285.8000114.8
501L42.9Very low52.7Low155 Ų155114.9 Ų114.981%0.81259%0.587SS**G310 helixtrans-115.66.4-177.6-69.6171.1000114.2L499L499-L501 PolarHBondContact O-N 3.19Å
502H43.4Very low54.1Low146 Ų146115.1 Ų115.168%0.67659%0.589SS**SBendtrans-118.5128.9178.2-70.22.5000111.6L504H502-L504 PolarHBondContact O-N 3.23Å
503P46.4Very low55.8Low96 Ų96109.3 Ų109.362%0.62356%0.562SS**  trans-63.2127.2175.725.8-31.6000109.3I505P503-I505 PolarHBondContact O-N 3.44Å
504L53.6Low57.7Low133 Ų133104.6 Ų104.670%0.69655%0.552SS**  trans-64.1101.8171.4-68.5168.7000108.1H502H502-L504 PolarHBondContact O-N 3.23Å
505I61.1Low59.6Low31 Ų31101 Ų10116%0.15954%0.536CS..  trans-85.6121.4177.8-60.9142.3000107P503 I507 Y509 H643 Y653P503-I505 PolarHBondContact O-N 3.44Å; I505-I507 PolarHBondContact O-N 2.99Å; I505-Y509 HydrophobicContact CG2-CD1 3.86Å; I505-Y509 HydrophobicContact CG2-CE1 3.53Å; I505-H643 HydrophobicContact CD1-CB 3.81Å; I505-Y653 HydrophobicContact CD1-CD1 4.07Å; I505-Y653 HydrophobicContact CD1-CE1 3.3Å; I505-Y653 HydrophobicContact CD1-CE2 4.42Å; I505-Y653 VanDerWaalsContact CD1-CZ 3.5Å; I505-Y653 WeakPolarHBondContact CD1-OH 3.1Å; I505-Y653 HydrophobicContact CG1-CE1 4.02Å; I505-Y653 HydrophobicContact CG1-CE2 4.42Å; I505-Y653 HydrophobicContact CG2-CD1 4.11Å; I505-Y653 HydrophobicContact CG2-CE1 4.43Å; I505-Y653 HydrophobicContact CG2-CG 4.24Å
506P64.1Low61.5Low89 Ų8999.5 Ų99.558%0.57852%0.517SS*.  trans-56.8135.9177.5-2231.5000110.7D508 Y509P506-D508 PolarHBondContact O-N 3.3Å; P506-Y509 WeakPolarHBondContact O-CD1 3.15Å
507I68.1Low63.5Low94 Ų94100.2 Ų100.248%0.48252%0.516SS..G310 helixtrans-71.8-14.6-175.7-58.5173.6000111.4I505 Y509 I510I505-I507 PolarHBondContact O-N 2.99Å; I507-Y509 PolarHBondContact O-N 3.02Å; I507-I510 HydrophobicContact CG2-CD1 3.56Å; I507-I510 HydrophobicContact CG2-CG1 4.43Å; I507-I510 WeakPolarHBondContact O-CB 3.46Å; I507-I510 VanDerWaalsContact O-CG1 3.32Å; I507-I510 WeakPolarHBondContact O-CG1 3.49Å; I507-I510 PolarHBondContact O-N 2.86Å; I507-I510 VanDerWaalsContact O-N 3.1Å
508D70.9Confident65.4Low116 Ų11695.6 Ų95.662%0.6248%0.484SS*.G310 helixtrans-60.1-23.4-174.2-56.4-32.9000114.6P506 I510 N511P506-D508 PolarHBondContact O-N 3.3Å; D508-I510 PolarHBondContact O-N 3.02Å; D508-N511 PolarHBondContact O-N 3.46Å
509Y76.7Confident67.1Low38 Ų3893 Ų9315%0.14947%0.466CS..G310 helixtrans-68.5-21.5178.778.8-91.5000113.1I505 P506 I507 N511 N512 H643 S652I505-Y509 HydrophobicContact CG2-CD1 3.86Å; I505-Y509 HydrophobicContact CG2-CE1 3.53Å; P506-Y509 WeakPolarHBondContact O-CD1 3.15Å; I507-Y509 PolarHBondContact O-N 3.02Å; Y509-N511 PolarHBondContact O-N 3.38Å; Y509-N512 WeakPolarHBondContact O-CB 3.32Å; Y509-N512 PolarHBondContact O-N 3.4Å; Y509-H643 PolarHBondContact OH-ND1 3.17Å; Y509-H643 VanDerWaalsContact OH-ND1 3.17Å; Y509-S652 PolarHBondContact OH-OG 3.46Å
510I79.6Confident68Low5 Ų588.1 Ų88.13%0.02644%0.442CS..G310 helixtrans-61.6-36.9-178.6-60.8174.9000110.3I507 D508 N512 L513 V635 L638I507-I510 HydrophobicContact CG2-CD1 3.56Å; I507-I510 HydrophobicContact CG2-CG1 4.43Å; I507-I510 WeakPolarHBondContact O-CB 3.46Å; I507-I510 VanDerWaalsContact O-CG1 3.32Å; I507-I510 WeakPolarHBondContact O-CG1 3.49Å; I507-I510 PolarHBondContact O-N 2.86Å; I507-I510 VanDerWaalsContact O-N 3.1Å; D508-I510 PolarHBondContact O-N 3.02Å; I510-N512 PolarHBondContact O-N 3.17Å; I510-L513 HydrophobicContact CG2-CD1 4.35Å; I510-L513 WeakPolarHBondContact O-CB 3.27Å; I510-L513 PolarHBondContact O-N 3.48Å; I510-V635 HydrophobicContact CG2-CG2 3.9Å; I510-L638 HydrophobicContact CD1-CB 3.53Å; I510-L638 HydrophobicContact CD1-CD1 4.35Å; I510-L638 HydrophobicContact CG1-CB 4.16Å; I510-L638 HydrophobicContact CG1-CD1 4.08Å; I510-L638 HydrophobicContact CG2-CD1 4.36Å
511N76.1Confident68.3Low139 Ų13980.6 Ų80.674%0.74342%0.422SS*.G310 helixtrans-66.9-19.1177.7-64.6-31.1000113D508 Y509D508-N511 PolarHBondContact O-N 3.46Å; Y509-N511 PolarHBondContact O-N 3.38Å
512N75.4Confident68.5Low138 Ų13880.4 Ų80.474%0.73842%0.417SS*.G310 helixtrans-95.25.4-178.7-61.5-38.8000112.9Y509 I510Y509-N512 WeakPolarHBondContact O-CB 3.32Å; Y509-N512 PolarHBondContact O-N 3.4Å; I510-N512 PolarHBondContact O-N 3.17Å
513L82.4Confident68.1Low15 Ų1579.9 Ų79.98%0.07942%0.424CS..SBendtrans-76.3142.4177.4-69.2170.1000111.4I510 T515 M621 L623 P624 L638I510-L513 HydrophobicContact CG2-CD1 4.35Å; I510-L513 WeakPolarHBondContact O-CB 3.27Å; I510-L513 PolarHBondContact O-N 3.48Å; L513-T515 PolarHBondContact O-N 3.46Å; L513-M621 HydrophobicContact CB-CE 4.28Å; L513-M621 HydrophobicContact CB-CG 3.91Å; L513-M621 HydrophobicContact CB-SD 3.89Å; L513-M621 HydrophobicContact CD1-CG 4.42Å; L513-M621 HydrophobicContact CD1-SD 3.75Å; L513-M621 HydrophobicContact CG-SD 4.49Å; L513-L623 HydrophobicContact CD1-CD2 3.74Å; L513-L623 HydrophobicContact CD2-CD2 4.22Å; L513-P624 HydrophobicContact CD2-CG 4.18Å; L513-L638 HydrophobicContact CD1-CD1 3.97Å
514P81Confident67.4Low59 Ų5980.2 Ų80.238%0.38343%0.427SS..  trans-64.8128.9-179.126.5-34.1000111W516 M601 M621 G622P514-W516 HydrophobicContact CB-CZ3 4.34Å; P514-M601 HydrophobicContact CB-CE 4.39Å; P514-M601 HydrophobicContact CG-CE 3.47Å; P514-M601 VanDerWaalsContact CG-CE 3.47Å; P514-M621 WeakPolarHBondContact O-CA 3.37Å; P514-G622 WeakPolarHBondContact CD-O 3.37Å; P514-G622 WeakPolarHBondContact CG-O 3.15Å; P514-G622 PolarHBondContact O-N 3.36Å
515T84.4Confident66.3Low70 Ų7076.7 Ų76.743%0.42942%0.424SS..EExtended strand (participates in β ladder)trans-125.1141.5175.451.20000110.7L513 I619 V620 M621L513-T515 PolarHBondContact O-N 3.46Å; T515-I619 HydrophobicContact CG2-CG2 4.48Å; T515-V620 VanDerWaalsContact CA-O 3.25Å; T515-V620 WeakPolarHBondContact CA-O 3.21Å; T515-M621 HydrophobicContact CG2-CB 3.89Å; T515-M621 HydrophobicContact CG2-CE 3.5Å; T515-M621 HydrophobicContact CG2-CG 3.94Å
516W83.3Confident64.9Low34 Ų3480.7 Ų80.713%0.12945%0.451CS..EExtended strand (participates in β ladder)trans-148.3167.2174.363.798.6000110P514 W597 P598 M601 V620 V628P514-W516 HydrophobicContact CB-CZ3 4.34Å; W516-W597 HydrophobicContact CZ2-CD2 4.13Å; W516-W597 AromaticContact CZ2-CE2 3.98Å; W516-W597 HydrophobicContact CZ2-CE3 4.31Å; W516-W597 HydrophobicContact CZ2-CH2 4.28Å; W516-W597 HydrophobicContact CZ2-CZ2 4.08Å; W516-W597 HydrophobicContact CZ2-CZ3 4.38Å; W516-W597 AromaticContact NE1-CE3 3.64Å; W516-W597 AromaticContact NE1-CZ3 3.99Å; W516-P598 HydrophobicContact CD2-CG 3.77Å; W516-P598 HydrophobicContact CE3-CG 3.7Å; W516-P598 HydrophobicContact CG-CG 4.5Å; W516-P598 HydrophobicContact CH2-CG 3.91Å; W516-P598 VanDerWaalsContact CZ2-CD 3.49Å; W516-P598 HydrophobicContact CZ2-CG 3.95Å; W516-P598 HydrophobicContact CZ3-CG 3.78Å; W516-M601 HydrophobicContact CH2-CB 4.15Å; W516-M601 HydrophobicContact CH2-CE 4.49Å; W516-M601 HydrophobicContact CH2-CG 3.63Å; W516-M601 HydrophobicContact CH2-SD 4.14Å; W516-M601 HydrophobicContact CZ2-CB 4.45Å; W516-M601 HydrophobicContact CZ2-CG 4.35Å; W516-M601 HydrophobicContact CZ3-CE 4.39Å; W516-M601 HydrophobicContact CZ3-CG 4.26Å; W516-V620 HydrophobicContact CD2-CG2 3.87Å; W516-V620 VanDerWaalsContact CE2-CG2 3.48Å; W516-V620 HydrophobicContact CG-CG2 4.04Å; W516-V620 HydrophobicContact CZ2-CG2 3.94Å; W516-V620 PolarHBondContact N-O 3.33Å; W516-V620 VanDerWaalsContact N-O 3.07Å; W516-V620 WeakPolarHBondContact O-CG2 3.24Å; W516-V620 PolarHBondContact O-N 3.4Å; W516-V628 HydrophobicContact CH2-CB 4.44Å; W516-V628 HydrophobicContact CH2-CG1 3.91Å; W516-V628 HydrophobicContact CH2-CG2 3.64Å; W516-V628 HydrophobicContact CZ2-CB 4.46Å; W516-V628 HydrophobicContact CZ2-CG1 3.75Å; W516-V628 HydrophobicContact CZ2-CG2 3.83Å
517R80.5Confident63.1Low147 Ų14783.6 Ų83.656%0.55546%0.462SS*.EExtended strand (participates in β ladder)trans-92.4131.4178.2-68.5-178.7177.5-1280.5109.9C618 I619R517-C618 WeakPolarHBondContact CA-O 3.27Å; R517-I619 HydrophobicContact CG-CG1 4.3Å
518F79.3Confident61.2Low8 Ų884.4 Ų84.44%0.03548%0.476CS..  trans-78.7133.9174.2-176.7-111.5000109.9C520 A592 W594 W597 F614 D617 C618 V620F518-C520 HydrophobicContact CE1-CB 4.26Å; F518-A592 HydrophobicContact CE2-CB 4.1Å; F518-A592 HydrophobicContact CZ-CB 3.7Å; F518-W594 HydrophobicContact CE2-CZ3 4.45Å; F518-W597 HydrophobicContact CD2-CE3 4.23Å; F518-W597 AromaticContact CD2-CZ3 3.73Å; F518-W597 HydrophobicContact CD2-CZ3 3.73Å; F518-W597 HydrophobicContact CE2-CE3 4.44Å; F518-W597 AromaticContact CE2-CZ3 3.97Å; F518-W597 HydrophobicContact CE2-CZ3 3.97Å; F518-F614 HydrophobicContact CB-CB 4.4Å; F518-F614 HydrophobicContact CD1-CB 3.4Å; F518-F614 HydrophobicContact CD2-CB 4.46Å; F518-F614 HydrophobicContact CE1-CB 3.63Å; F518-F614 WeakPolarHBondContact CE1-O 3.5Å; F518-F614 HydrophobicContact CG-CB 3.84Å; F518-F614 HydrophobicContact CZ-CB 4.24Å; F518-D617 VanDerWaalsContact O-CA 3.31Å; F518-D617 WeakPolarHBondContact O-CA 3.5Å; F518-D617 PolarHBondContact O-N 3.36Å; F518-C618 PolarHBondContact N-O 3.41Å; F518-V620 HydrophobicContact CB-CG1 4.19Å
519K71.5Confident59.2Low86 Ų8687.5 Ų87.537%0.37449%0.487SS..  trans-119.2125.1174-69.6-167.2178.5-167.60109.8D593K519-D593 PolarHBondContact O-N 3.31Å
520C59.9Low56.8Low16 Ų1694.3 Ų94.311%0.10852%0.52CS..BIsolated β-bridgetrans-99.8130.5167.8-169.90000108.9F518 Q522 T616F518-C520 HydrophobicContact CE1-CB 4.26Å; C520-Q522 PolarHBondContact O-N 3.1Å; C520-T616 VanDerWaalsContact CB-OG1 3.28Å; C520-T616 WeakPolarHBondContact CB-OG1 3.37Å
521T54.4Low54.3Low77 Ų77101.2 Ų101.247%0.47256%0.557SS.*  trans-73.4102.1168.916.50000109V523 Q591 D593T521-V523 PolarHBondContact O-N 2.66Å; T521-Q591 PolarHBondContact OG1-O 2.93Å; T521-D593 HydrophobicContact CG2-CB 4.35Å
522Q45.6Very low51.9Low152 Ų15299.5 Ų99.571%0.7156%0.556SS**  trans-68119.4164.4-78.9-171.3-13.600109.2C520 C524C520-Q522 PolarHBondContact O-N 3.1Å; Q522-C524 VanDerWaalsContact C-N 3.31Å; Q522-C524 PolarHBondContact O-N 3.06Å
523V36Very low49.6Very low135 Ų13596.1 Ų96.182%0.81855%0.554SS**  trans-7391.7159.7-178.10000107.1T521 G525T521-V523 PolarHBondContact O-N 2.66Å; V523-G525 PolarHBondContact O-N 3.1Å
524C30.6Very low47Very low102 Ų102106.4 Ų106.469%0.68959%0.592SS**  trans-73.9112.7162.4-79.20000108.5Q522Q522-C524 VanDerWaalsContact C-N 3.31Å; Q522-C524 PolarHBondContact O-N 3.06Å
525G31Very low44.3Very low60 Ų60110.4 Ų110.462%0.61961%0.609SS**  trans-62.3152.815700000110.2V523V523-G525 PolarHBondContact O-N 3.1Å
526P32.8Very low41.6Very low114 Ų114114 Ų11474%0.7463%0.625SS**  trans-76.1143.2-156.833.1-34.8000112
527N26.6Very low38.8Very low151 Ų151118.9 Ų118.981%0.80765%0.654SS**  177149.6115.1-84.7-20.3000114
528S27.2Very low36.3Very low110 Ų110117.5 Ų117.577%0.76967%0.667SS**  trans75.980.816952.70000119.1
529E28.2Very low33.7Very low181 Ų181124.3 Ų124.385%0.84670%0.704SS**  48.6112.4111.3-64.9178.5175.700119.9
530E26.9Very low31.6Very low182 Ų182127 Ų12785%0.8572%0.72SS**  43.5121127.3-61-176.816900119.1
531N27.5Very low29.9Very low149 Ų149133.5 Ų133.580%0.79775%0.75SS**  -174.8147.280.5-152.4-4.4000112.9
532S26Very low28.5Very low104 Ų104135.8 Ų135.873%0.72776%0.759SS**  trans-29.5152.4173.956.70000121.6
533G26.3Very low27.4Very low67 Ų67134.3 Ų134.369%0.69176%0.76SS**  trans152.892140.900000119
534R27.3Very low26.8Very low231 Ų231134.2 Ų134.287%0.87276%0.76SS**  trans58119.3134.8-61.4-179.2-164.6158.75.8121.8
535D25.5Very low26.5Very low142 Ų142133.1 Ų133.176%0.75977%0.766SS**  57.5135.5121-60-28.6000123.5
536L27.2Very low26.2Very low146 Ų146133.7 Ų133.776%0.76477%0.772SS**  trans92.1114.9143.1-10883.6000120
537D24.9Very low25.7Very low136 Ų136136.8 Ų136.873%0.72778%0.777SS**  trans32.6123.1130.3-65.7-17.9000118.3
538S26.8Very low25.6Very low119 Ų119134.9 Ų134.983%0.83277%0.771SS**  175.614499.940.50000112.3
539N24.8Very low25.5Very low151 Ų151138.8 Ų138.881%0.80778%0.777SS**  trans-35149.8154.1-68.2-47.4000112.7
540I27.8Very low25.3Very low141 Ų141133 Ų13372%0.72377%0.766SS**  166.4119.5105-83.8177.1000108.2
541Q25Very low25.1Very low154 Ų154132.2 Ų132.272%0.7277%0.766SS**  trans36.4135.9134.4-61176.4-28.900120.7
542N24.1Very low24.9Very low125 Ų125131.2 Ų131.267%0.66876%0.761SS**  trans54.8125.3131.6-56.7-12.1000115.6
543T24Very low24.7Very low121 Ų121130.5 Ų130.574%0.74276%0.756SS**  -179.4133.887.7190000111.1
544T23.4Very low24.6Very low133 Ų133135 Ų13582%0.81676%0.76SS**  trans45142.2131.364.70000121.6
545G23.9Very low24.4Very low78 Ų78130.3 Ų130.380%0.80475%0.747SS**  trans118.297.4153.100000108.5
546G23.4Very low24.2Very low73 Ų73130.6 Ų130.675%0.75374%0.744SS**  cis101.8144.84400000107.8
547Q23.8Very low24Very low179 Ų179129.9 Ų129.984%0.83674%0.736SS**  trans80.399.4168.7-66.5-175.1-1.900115.1
548T23.6Very low24.1Very low111 Ų111131.2 Ų131.268%0.68174%0.738SS**  84.914272.2560000112.8
549Q24.5Very low23.9Very low192 Ų192128.8 Ų128.890%0.89773%0.732SS**  trans77.5135.3164.4-61.2165.511.900114.2
550G23.7Very low23.8Very low60 Ų60128.3 Ų128.362%0.61974%0.739SS**  cis-165.8145500000106.4
551L23.2Very low23.6Very low164 Ų164124.4 Ų124.486%0.85973%0.733SS**  57.897.999.7-97.1144.8000113.3
552N23.1Very low23.6Very low129 Ų129126.2 Ų126.269%0.6974%0.739SS**  159.3112.4120.6-83.70.1000107.3
553S23.2Very low23.6Very low89 Ų89128.3 Ų128.362%0.62275%0.745SS**  60.7121.686.678.80000109.4
554E22.8Very low23.7Very low162 Ų162134.5 Ų134.576%0.75775%0.754SS**  -174.4150.462.6-85.9-178.8156.200110.1
555H23Very low23.7Very low132 Ų132135.2 Ų135.261%0.61175%0.753SS**  trans59.1115135.8-70.7-70.4000119.5
556E22.7Very low23.7Very low147 Ų147137.2 Ų137.269%0.68775%0.754SS**  83.3144.6101.6-76.2176.9-176.800110.3
557E23.1Very low23.7Very low131 Ų131138.6 Ų138.661%0.61276%0.758SS**  cis-169.9167.96.2-126.5-179.1158.800105.1
558H26.3Very low23.7Very low164 Ų164134.1 Ų134.176%0.75975%0.751SS**  trans71.7128.6157.6-55.5-34.5000117.3
559G23.1Very low23.8Very low69 Ų69136 Ų13671%0.71176%0.757SS**  cis119.3117.820.800000109.5
560C21.9Very low23.8Very low140 Ų140131.8 Ų131.895%0.94675%0.749SS**  trans74.8118149.3-156.90000118.5
561G23.3Very low23.8Very low59 Ų59134.3 Ų134.361%0.60876%0.756SS**  145108.5115.400000117.3
562K26Very low23.9Very low192 Ų192131.6 Ų131.684%0.83575%0.749SS**  trans76.2107.3142.5-64.8175.3175.3174.50116.6
563E23.3Very low24Very low169 Ų169133.7 Ų133.779%0.7975%0.754SS**  52.910784.7-77-176.816800113.1
564R26.4Very low24Very low252 Ų252134.1 Ų134.195%0.95176%0.757SS**  -158.7119.8128-114.3175.5-96.6-171.6-5.6111.5
565D22.7Very low24.1Very low148 Ų148134.5 Ų134.579%0.79176%0.759SS**  trans-68175.1169.5-71.6-51.2000113.6
566C24.2Very low24.3Very low120 Ų120135.6 Ų135.681%0.81177%0.768SS**  trans103.295.6161.1-57.80000113.3
567A23.4Very low24.4Very low101 Ų101132.5 Ų132.584%0.83578%0.776SS**  85.9139.261.700000114.3
568A25Very low24.5Very low85 Ų85129.6 Ų129.670%0.70278%0.781SS**  trans100105.2158.600000119.3
569D24.1Very low24.5Very low152 Ų152129.5 Ų129.581%0.81379%0.786SS**  79.9111.4117.2-65.4-12.8000123.8
570S25.5Very low24.7Very low103 Ų103132.4 Ų132.472%0.7279%0.79SS**  81.9117.5120.598.10000121.8
571C24.5Very low25.4Very low112 Ų112131 Ų13176%0.75778%0.779SS**  67.1106.3127-66.40000122.6
572C24.8Very low25.4Very low107 Ų107133.7 Ų133.772%0.72379%0.787SS**  69.4124.8117.8-52.20000122.5
573H24Very low25.4Very low173 Ų173133 Ų13380%0.80179%0.788SS**  trans92.7103.5143.7-71.3-56.9000121.9
574S24.7Very low25.6Very low98 Ų98134.8 Ų134.869%0.68579%0.794SS**  83.4111.8124.8-35.10000122.1
575E24Very low25.6Very low171 Ų171134.4 Ų134.480%0.79979%0.792SS**  trans81111.7132.3-69.7-166.4-172.400124.3
576I27.7Very low25.8Very low155 Ų155136.3 Ų136.380%0.79580%0.796SS**  trans83.7112133.4-55.4165.4000120.5
577G24.1Very low26.1Very low82 Ų82134.9 Ų134.985%0.84579%0.793SS**  136.2104.3126.300000118.7
578G25.4Very low26.5Very low70 Ų70138.6 Ų138.672%0.72279%0.794SS**  trans139.383150.500000119.7
579D26.1Very low27.3Very low161 Ų161143.8 Ų143.886%0.86180%0.803SS**  44.7127.8116.3-68.2-8.2000119.9
580V27.7Very low28.5Very low131 Ų131142.4 Ų142.479%0.79479%0.792SS**  cis-174.3178.932.6-168.40000108.3
581P37.3Very low29.9Very low111 Ų111144.7 Ų144.772%0.72179%0.791SS**  cis-122.9176.5-48.333.9-16.8000115.9
582C23.3Very low31.5Very low114 Ų114140 Ų14077%0.7776%0.76SS**  trans114.198.2131.7-154.50000119
583M25.3Very low33.3Very low177 Ų177137.5 Ų137.587%0.87274%0.74SS**  165.7121.3109.7-88-162.2100.800108.1R585M583-R585 PolarHBondContact O-N 3.36Å
584K27.7Very low35.5Very low207 Ų207133.8 Ų133.890%0.972%0.719SS**  trans-69118.4177.4-71.1178.8175.3-177.20110.1
585R26.7Very low37.4Very low244 Ų244133.3 Ų133.392%0.92172%0.716SS**  trans-110.8116.4147.1-92.9179.9172.9171.2-2.6106.1M583 A587M583-R585 PolarHBondContact O-N 3.36Å; R585-A587 PolarHBondContact O-N 3.47Å; R585-A587 VanDerWaalsContact O-N 3.09Å
586E25.6Very low39.4Very low188 Ų188129.9 Ų129.988%0.87970%0.699SS**  trans-61.4107.4172.2-69.3170.5163.700108
587A30.4Very low41.7Very low90 Ų90123.4 Ų123.474%0.74467%0.665SS**  trans-79.7115.3165.300000106.8R585 E589R585-A587 PolarHBondContact O-N 3.47Å; R585-A587 VanDerWaalsContact O-N 3.09Å; A587-E589 PolarHBondContact O-N 3.03Å; A587-E589 VanDerWaalsContact O-N 3.14Å
588Q33.4Very low44.2Very low180 Ų180121.6 Ų121.684%0.84164%0.639SS**  trans-61.4112.8166.9-75.8172.9-3500107.9Q590Q588-Q590 PolarHBondContact O-N 3.38Å; Q588-Q590 VanDerWaalsContact O-N 3.07Å
589E41.1Very low46.3Very low194 Ų194124.4 Ų124.491%0.90765%0.647SS**  trans-66.9104.7172.1-82.8178.8159.600109.2A587 Q591A587-E589 PolarHBondContact O-N 3.03Å; A587-E589 VanDerWaalsContact O-N 3.14Å; E589-Q591 PolarHBondContact O-N 3.12Å
590Q48.7Very low48.7Very low123 Ų123122.8 Ų122.858%0.57564%0.638SS**  trans-75.2104.1170.8-83.6161.5-1400109Q588 A592Q588-Q590 PolarHBondContact O-N 3.38Å; Q588-Q590 VanDerWaalsContact O-N 3.07Å; Q590-A592 PolarHBondContact O-N 3.15Å
591Q54.7Low51.2Low151 Ų151117.6 Ų117.671%0.70661%0.606SS**  trans-84.2111.3177.7-159.2155.523.700109.8T521 E589T521-Q591 PolarHBondContact OG1-O 2.93Å; E589-Q591 PolarHBondContact O-N 3.12Å
592A58.8Low53.3Low13 Ų13116.4 Ų116.411%0.10759%0.592CS.*BIsolated β-bridgetrans-71.4136.9-174.600000112.7F518 Q590 W594 T605F518-A592 HydrophobicContact CE2-CB 4.1Å; F518-A592 HydrophobicContact CZ-CB 3.7Å; Q590-A592 PolarHBondContact O-N 3.15Å; A592-W594 HydrophobicContact CB-CD2 4.3Å; A592-W594 HydrophobicContact CB-CH2 4.06Å; A592-W594 HydrophobicContact CB-CZ2 3.65Å; A592-W594 PolarHBondContact O-N 3.16Å; A592-T605 HydrophobicContact CB-CG2 4.11Å
593D63.6Low56Low55 Ų55116.2 Ų116.229%0.29458%0.58SS.*  trans-87.5105.7173.2-1796.6000109.6K519 T521 S595K519-D593 PolarHBondContact O-N 3.31Å; T521-D593 HydrophobicContact CG2-CB 4.35Å; D593-S595 VanDerWaalsContact C-N 3.28Å; D593-S595 PolarHBondContact O-N 2.84Å; D593-S595 WeakPolarHBondContact OD1-CB 3.42Å; D593-S595 PolarHBondContact OD1-N 3.25Å; D593-S595 VanDerWaalsContact OD1-N 3.08Å; D593-S595 PolarHBondContact OD1-OG 3.23Å; D593-S595 PolarHBondContact OD2-OG 3.01Å; D593-S595 VanDerWaalsContact OD2-OG 3.11Å
594W69.9Low58.5Low94 Ų94109.4 Ų109.436%0.35655%0.55SS..G310 helixtrans-83.30.4-176.7-57.6112.1000114F518 A592 Q596 W597 H603 T605F518-W594 HydrophobicContact CE2-CZ3 4.45Å; A592-W594 HydrophobicContact CB-CD2 4.3Å; A592-W594 HydrophobicContact CB-CH2 4.06Å; A592-W594 HydrophobicContact CB-CZ2 3.65Å; A592-W594 PolarHBondContact O-N 3.16Å; W594-Q596 PolarHBondContact O-N 3.05Å; W594-W597 HydrophobicContact CE3-CB 4.25Å; W594-W597 AromaticContact CE3-CD2 3.93Å; W594-W597 HydrophobicContact CE3-CD2 3.93Å; W594-W597 AromaticContact CE3-CE3 3.87Å; W594-W597 HydrophobicContact CE3-CE3 3.87Å; W594-W597 HydrophobicContact CE3-CG 4.11Å; W594-W597 HydrophobicContact CE3-CZ3 4.5Å; W594-W597 AromaticContact CZ3-CD2 3.89Å; W594-W597 HydrophobicContact CZ3-CD2 3.89Å; W594-W597 AromaticContact CZ3-CE3 3.68Å; W594-W597 HydrophobicContact CZ3-CE3 3.68Å; W594-W597 HydrophobicContact CZ3-CH2 4.23Å; W594-W597 HydrophobicContact CZ3-CZ2 4.42Å; W594-W597 AromaticContact CZ3-CZ3 3.87Å; W594-W597 HydrophobicContact CZ3-CZ3 3.87Å; W594-W597 WeakPolarHBondContact O-CB 3.39Å; W594-W597 PolarHBondContact O-N 3.17Å; W594-W597 VanDerWaalsContact O-N 3.14Å; W594-H603 HydrophobicContact CD2-CB 4.45Å; W594-H603 AromaticContact CD2-ND1 3.42Å; W594-H603 HydrophobicContact CE3-CB 4.13Å; W594-H603 AromaticContact CE3-CE1 3.86Å; W594-H603 AromaticContact CE3-CG 3.87Å; W594-H603 AromaticContact CE3-ND1 3Å; W594-H603 AromaticContact CG-ND1 3.98Å; W594-H603 HydrophobicContact CH2-CB 3.79Å; W594-H603 HydrophobicContact CZ2-CB 4.14Å; W594-H603 HydrophobicContact CZ3-CB 3.78Å; W594-H603 AromaticContact CZ3-ND1 3.48Å; W594-H603 WeakPolarHBondContact CZ3-ND1 3.48Å; W594-T605 HydrophobicContact CH2-CG2 3.72Å; W594-T605 HydrophobicContact CZ2-CG2 3.82Å
595S64.8Low60.8Low89 Ų89102.7 Ų102.762%0.62253%0.526SS*.G310 helixtrans-63.8-26.1-175.362.70000114.3D593D593-S595 VanDerWaalsContact C-N 3.28Å; D593-S595 PolarHBondContact O-N 2.84Å; D593-S595 WeakPolarHBondContact OD1-CB 3.42Å; D593-S595 PolarHBondContact OD1-N 3.25Å; D593-S595 VanDerWaalsContact OD1-N 3.08Å; D593-S595 PolarHBondContact OD1-OG 3.23Å; D593-S595 PolarHBondContact OD2-OG 3.01Å; D593-S595 VanDerWaalsContact OD2-OG 3.11Å
596Q64.4Low63.4Low98 Ų9895.8 Ų95.846%0.45850%0.504SS..G310 helixtrans-101.15.2179.1-64.4179.213.700113.1W594W594-Q596 PolarHBondContact O-N 3.05Å
597W76.3Confident66.3Low20 Ų2086.8 Ų86.88%0.07646%0.462CS..SBendtrans-81.2130.5-179.6-159-89.8000110.8W516 F518 W594 S599 M601 I602 H603 C604 V628W516-W597 HydrophobicContact CZ2-CD2 4.13Å; W516-W597 AromaticContact CZ2-CE2 3.98Å; W516-W597 HydrophobicContact CZ2-CE3 4.31Å; W516-W597 HydrophobicContact CZ2-CH2 4.28Å; W516-W597 HydrophobicContact CZ2-CZ2 4.08Å; W516-W597 HydrophobicContact CZ2-CZ3 4.38Å; W516-W597 AromaticContact NE1-CE3 3.64Å; W516-W597 AromaticContact NE1-CZ3 3.99Å; F518-W597 HydrophobicContact CD2-CE3 4.23Å; F518-W597 AromaticContact CD2-CZ3 3.73Å; F518-W597 HydrophobicContact CD2-CZ3 3.73Å; F518-W597 HydrophobicContact CE2-CE3 4.44Å; F518-W597 AromaticContact CE2-CZ3 3.97Å; F518-W597 HydrophobicContact CE2-CZ3 3.97Å; W594-W597 HydrophobicContact CE3-CB 4.25Å; W594-W597 AromaticContact CE3-CD2 3.93Å; W594-W597 HydrophobicContact CE3-CD2 3.93Å; W594-W597 AromaticContact CE3-CE3 3.87Å; W594-W597 HydrophobicContact CE3-CE3 3.87Å; W594-W597 HydrophobicContact CE3-CG 4.11Å; W594-W597 HydrophobicContact CE3-CZ3 4.5Å; W594-W597 AromaticContact CZ3-CD2 3.89Å; W594-W597 HydrophobicContact CZ3-CD2 3.89Å; W594-W597 AromaticContact CZ3-CE3 3.68Å; W594-W597 HydrophobicContact CZ3-CE3 3.68Å; W594-W597 HydrophobicContact CZ3-CH2 4.23Å; W594-W597 HydrophobicContact CZ3-CZ2 4.42Å; W594-W597 AromaticContact CZ3-CZ3 3.87Å; W594-W597 HydrophobicContact CZ3-CZ3 3.87Å; W594-W597 WeakPolarHBondContact O-CB 3.39Å; W594-W597 PolarHBondContact O-N 3.17Å; W594-W597 VanDerWaalsContact O-N 3.14Å; W597-S599 PolarHBondContact O-N 3.32Å; W597-M601 PolarHBondContact NE1-O 3.36Å; W597-M601 VanDerWaalsContact NE1-O 3.12Å; W597-I602 VanDerWaalsContact CZ2-O 3.27Å; W597-I602 WeakPolarHBondContact CZ2-O 3.44Å; W597-H603 AromaticContact CD1-CE1 3.57Å; W597-H603 AromaticContact CD1-ND1 3.47Å; W597-H603 AromaticContact CG-CE1 3.82Å; W597-H603 AromaticContact CG-ND1 3.64Å; W597-H603 AromaticContact NE1-ND1 3.79Å; W597-C604 WeakPolarHBondContact CH2-O 3.27Å; W597-V628 HydrophobicContact CH2-CB 4.02Å; W597-V628 HydrophobicContact CH2-CG1 3.78Å; W597-V628 HydrophobicContact CH2-CG2 4.2Å; W597-V628 HydrophobicContact CZ2-CB 3.81Å; W597-V628 HydrophobicContact CZ2-CG1 3.99Å; W597-V628 HydrophobicContact CZ2-CG2 3.52Å
598P76.9Confident68.8Low44 Ų4485.7 Ų85.729%0.28645%0.446SS..  trans-64.6135.4178.3-18.830.4000111.8W516 D600 M601W516-P598 HydrophobicContact CD2-CG 3.77Å; W516-P598 HydrophobicContact CE3-CG 3.7Å; W516-P598 HydrophobicContact CG-CG 4.5Å; W516-P598 HydrophobicContact CH2-CG 3.91Å; W516-P598 VanDerWaalsContact CZ2-CD 3.49Å; W516-P598 HydrophobicContact CZ2-CG 3.95Å; W516-P598 HydrophobicContact CZ3-CG 3.78Å; P598-D600 PolarHBondContact O-N 3.1Å; P598-D600 VanDerWaalsContact O-N 3.08Å; P598-M601 HydrophobicContact CB-CB 4.43Å; P598-M601 HydrophobicContact CB-CG 3.84Å; P598-M601 HydrophobicContact CG-CG 4.12Å; P598-M601 WeakPolarHBondContact O-CB 3.48Å; P598-M601 PolarHBondContact O-N 3.32Å
599S70.7Confident71.1Confident129 Ų12979.7 Ų79.790%0.90242%0.421SS*.THydrogen-bonded Turntrans-60.4-22.2-177.1-48.60000114.6W597 M601W597-S599 PolarHBondContact O-N 3.32Å; S599-M601 VanDerWaalsContact C-N 3.29Å; S599-M601 PolarHBondContact O-N 3.44Å
600D74.9Confident73.2Confident126 Ų12672.4 Ų72.467%0.67439%0.391SS*.THydrogen-bonded Turntrans-87.35.8-179.7-63.1-24000113P598 A626P598-D600 PolarHBondContact O-N 3.1Å; P598-D600 VanDerWaalsContact O-N 3.08Å; D600-A626 WeakPolarHBondContact O-CB 3.39Å
601M81.2Confident74.8Confident23 Ų2373 Ų7311%0.11340%0.398CS..SBendtrans-119.9137.8-172.3-60.4-69.2174.900111.7P514 W516 W597 P598 S599 V628P514-M601 HydrophobicContact CB-CE 4.39Å; P514-M601 HydrophobicContact CG-CE 3.47Å; P514-M601 VanDerWaalsContact CG-CE 3.47Å; W516-M601 HydrophobicContact CH2-CB 4.15Å; W516-M601 HydrophobicContact CH2-CE 4.49Å; W516-M601 HydrophobicContact CH2-CG 3.63Å; W516-M601 HydrophobicContact CH2-SD 4.14Å; W516-M601 HydrophobicContact CZ2-CB 4.45Å; W516-M601 HydrophobicContact CZ2-CG 4.35Å; W516-M601 HydrophobicContact CZ3-CE 4.39Å; W516-M601 HydrophobicContact CZ3-CG 4.26Å; W597-M601 PolarHBondContact NE1-O 3.36Å; W597-M601 VanDerWaalsContact NE1-O 3.12Å; P598-M601 HydrophobicContact CB-CB 4.43Å; P598-M601 HydrophobicContact CB-CG 3.84Å; P598-M601 HydrophobicContact CG-CG 4.12Å; P598-M601 WeakPolarHBondContact O-CB 3.48Å; P598-M601 PolarHBondContact O-N 3.32Å; S599-M601 VanDerWaalsContact C-N 3.29Å; S599-M601 PolarHBondContact O-N 3.44Å; M601-V628 HydrophobicContact CB-CG2 3.94Å; M601-V628 HydrophobicContact CG-CG2 4.35Å; M601-V628 HydrophobicContact SD-CG2 4.23Å
602I81.9Confident76.1Confident85 Ų8571.8 Ų71.844%0.43639%0.392SS..  trans-73.1128.6179.5-61.3164.3000109.1W597 C604 A626W597-I602 VanDerWaalsContact CZ2-O 3.27Å; W597-I602 WeakPolarHBondContact CZ2-O 3.44Å; I602-C604 PolarHBondContact O-N 3.03Å; I602-A626 WeakPolarHBondContact CB-O 3.25Å; I602-A626 HydrophobicContact CD1-CB 4.09Å; I602-A626 HydrophobicContact CG1-CB 3.88Å; I602-A626 PolarHBondContact N-O 3.18Å
603H78.1Confident77.2Confident110 Ų11075.5 Ų75.551%0.50941%0.41SS..  trans-63.3124176.3-64.2-66.7000111.1W594 W597W594-H603 HydrophobicContact CD2-CB 4.45Å; W594-H603 AromaticContact CD2-ND1 3.42Å; W594-H603 HydrophobicContact CE3-CB 4.13Å; W594-H603 AromaticContact CE3-CE1 3.86Å; W594-H603 AromaticContact CE3-CG 3.87Å; W594-H603 AromaticContact CE3-ND1 3Å; W594-H603 AromaticContact CG-ND1 3.98Å; W594-H603 HydrophobicContact CH2-CB 3.79Å; W594-H603 HydrophobicContact CZ2-CB 4.14Å; W594-H603 HydrophobicContact CZ3-CB 3.78Å; W594-H603 AromaticContact CZ3-ND1 3.48Å; W594-H603 WeakPolarHBondContact CZ3-ND1 3.48Å; W597-H603 AromaticContact CD1-CE1 3.57Å; W597-H603 AromaticContact CD1-ND1 3.47Å; W597-H603 AromaticContact CG-CE1 3.82Å; W597-H603 AromaticContact CG-ND1 3.64Å; W597-H603 AromaticContact NE1-ND1 3.79Å
604C78.6Confident78.1Confident35 Ų3573 Ų7324%0.23640%0.397CS..  trans-147.9147.1174.1520000109.7W597 I602 F614W597-C604 WeakPolarHBondContact CH2-O 3.27Å; I602-C604 PolarHBondContact O-N 3.03Å; C604-F614 WeakPolarHBondContact O-CE2 3.49Å
605T75.8Confident78.3Confident65 Ų6575.8 Ų75.840%0.39941%0.414SS..SBendtrans-109.6-4.7-17751.50000112.9A592 W594 N613 F614A592-T605 HydrophobicContact CB-CG2 4.11Å; W594-T605 HydrophobicContact CH2-CG2 3.72Å; W594-T605 HydrophobicContact CZ2-CG2 3.82Å; T605-N613 WeakPolarHBondContact O-CA 3.5Å; T605-F614 WeakPolarHBondContact O-CD2 3.46Å; T605-F614 PolarHBondContact O-N 2.87Å
606E81.4Confident78.9Confident99 Ų9974.7 Ų74.746%0.46340%0.403SS..EExtended strand (participates in β ladder)trans-133.2149-178.665.8-179.2-17400111.5E612 F614E606-E612 WeakPolarHBondContact CA-O 3.14Å; E606-F614 WeakPolarHBondContact O-CE2 3.13Å
607C86.3Confident79.3Confident0 Ų073.8 Ų73.80%040%0.402CS..EExtended strand (participates in β ladder)trans-94.4112.7175-176.90000110.2V609 C610 L611 E612 F614 H630C607-V609 PolarHBondContact O-N 3.07Å; C607-C610 PolarHBondContact O-N 3.01Å; C607-L611 WeakPolarHBondContact O-CA 3.06Å; C607-L611 PolarHBondContact O-N 2.98Å; C607-E612 PolarHBondContact N-O 3.46Å; C607-F614 HydrophobicContact CB-CE1 3.78Å; C607-F614 HydrophobicContact CB-CZ 4.02Å; C607-H630 VanDerWaalsContact CB-ND1 3.27Å; C607-H630 WeakPolarHBondContact CB-ND1 3.07Å; C607-H630 PolarHBondContact SG-N 2.81Å; C607-H630 VanDerWaalsContact SG-N 3.43Å
608V82.9Confident79.5Confident66 Ų6674 Ų7440%0.441%0.406SS..THydrogen-bonded Turntrans-68.5-6.9-177.8-61.20000115.3F629 V647V608-F629 HydrophobicContact CG2-CD1 3.99Å; V608-F629 HydrophobicContact CG2-CE1 3.43Å; V608-F629 VanDerWaalsContact CG2-CE1 3.43Å; V608-F629 HydrophobicContact CG2-CZ 4.48Å; V608-V647 HydrophobicContact CG2-CG2 3.62Å
609V83.2Confident79.8Confident54 Ų5475.1 Ų75.133%0.32741%0.409SS..THydrogen-bonded Turntrans-84-44177.5177.60000110.9C607 F629 C633 P646C607-V609 PolarHBondContact O-N 3.07Å; V609-F629 HydrophobicContact CG2-CD1 3.73Å; V609-F629 HydrophobicContact CG2-CE1 4.11Å; V609-C633 HydrophobicContact CB-CB 4.02Å; V609-C633 HydrophobicContact CG1-CB 3.91Å; V609-P646 HydrophobicContact CG2-CB 4.23Å; V609-P646 HydrophobicContact CG2-CG 3.84Å
610C83.6Confident80.6Confident41 Ų4169 Ų6928%0.27737%0.366SS..THydrogen-bonded Turntrans-100.4-10.4175.860.90000113.7C607 E612 H630C607-C610 PolarHBondContact O-N 3.01Å; C610-E612 HydrophobicContact CB-CG 4.45Å; C610-E612 PolarHBondContact O-N 3.49Å; C610-H630 PolarHBondContact SG-ND1 3.07Å; C610-H630 VanDerWaalsContact SG-ND1 3.36Å
611L83.8Confident81.1Confident135 Ų13563.3 Ų63.371%0.70734%0.335SS*.THydrogen-bonded Turntrans61.524.7-175.4-53.1172000113.9C607C607-L611 WeakPolarHBondContact O-CA 3.06Å; C607-L611 PolarHBondContact O-N 2.98Å
612E81.9Confident81.3Confident126 Ų12662.2 Ų62.259%0.58933%0.33SS*.EExtended strand (participates in β ladder)trans-106.8149178.3-63.4173.8166.400111.5E606 C607 C610E606-E612 WeakPolarHBondContact CA-O 3.14Å; C607-E612 PolarHBondContact N-O 3.46Å; C610-E612 HydrophobicContact CB-CG 4.45Å; C610-E612 PolarHBondContact O-N 3.49Å
613N81.4Confident81.5Confident91 Ų9158.2 Ų58.249%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-68.4149.4175.4-71.3-34.6000111.5T605 E615T605-N613 WeakPolarHBondContact O-CA 3.5Å; N613-E615 PolarHBondContact O-N 2.8Å
614F81.4Confident81.7Confident4 Ų454.7 Ų54.72%0.01830%0.296CS..PPolyproline II helixtrans-69.5119.6174.3-64.6-59.8000110.8F518 C604 T605 E606 C607 V620 H630F518-F614 HydrophobicContact CB-CB 4.4Å; F518-F614 HydrophobicContact CD1-CB 3.4Å; F518-F614 HydrophobicContact CD2-CB 4.46Å; F518-F614 HydrophobicContact CE1-CB 3.63Å; F518-F614 WeakPolarHBondContact CE1-O 3.5Å; F518-F614 HydrophobicContact CG-CB 3.84Å; F518-F614 HydrophobicContact CZ-CB 4.24Å; C604-F614 WeakPolarHBondContact O-CE2 3.49Å; T605-F614 WeakPolarHBondContact O-CD2 3.46Å; T605-F614 PolarHBondContact O-N 2.87Å; E606-F614 WeakPolarHBondContact O-CE2 3.13Å; C607-F614 HydrophobicContact CB-CE1 3.78Å; C607-F614 HydrophobicContact CB-CZ 4.02Å; F614-V620 HydrophobicContact CD1-CG1 3.45Å; F614-V620 VanDerWaalsContact CD1-CG1 3.45Å; F614-V620 HydrophobicContact CE1-CG1 3.56Å; F614-V620 HydrophobicContact CG-CG1 4.11Å; F614-V620 HydrophobicContact CZ-CG1 4.26Å; F614-H630 AromaticContact CD1-CD2 3.53Å; F614-H630 AromaticContact CD1-CE1 3.9Å; F614-H630 AromaticContact CD1-NE2 3.28Å; F614-H630 VanDerWaalsContact CD1-NE2 3.28Å; F614-H630 WeakPolarHBondContact CD1-NE2 3.34Å; F614-H630 AromaticContact CE1-CD2 3.76Å; F614-H630 AromaticContact CE1-NE2 3.82Å
615E75.9Confident81.9Confident151 Ų15154 Ų5471%0.70629%0.291SS*.PPolyproline II helixtrans-77.9158.2174.1-63.4-171.4166.700112.3N613 D617 C618N613-E615 PolarHBondContact O-N 2.8Å; E615-D617 PolarHBondContact O-N 2.86Å; E615-C618 HydrophobicContact CB-CB 4.47Å; E615-C618 WeakPolarHBondContact O-CB 3.28Å; E615-C618 PolarHBondContact O-N 2.91Å; E615-C618 PolarHBondContact O-SG 2.97Å
616T76Confident82.3Confident66 Ų6651.9 Ų51.941%0.40528%0.281SS..THydrogen-bonded Turntrans-65.9136.1178.9-52.40000110.4C520 C618C520-T616 VanDerWaalsContact CB-OG1 3.28Å; C520-T616 WeakPolarHBondContact CB-OG1 3.37Å; T616-C618 PolarHBondContact O-N 3.18Å
617D73.1Confident82.6Confident80 Ų8049 Ų4943%0.42827%0.268SS..THydrogen-bonded Turntrans64.611.2-174.2-67.6-43.3000115.9F518 E615F518-D617 VanDerWaalsContact O-CA 3.31Å; F518-D617 WeakPolarHBondContact O-CA 3.5Å; F518-D617 PolarHBondContact O-N 3.36Å; E615-D617 PolarHBondContact O-N 2.86Å
618C81Confident82.6Confident24 Ų2449.3 Ų49.316%0.16227%0.269CS..  trans-68.7146.8171.884.60000111.1R517 F518 E615 T616R517-C618 WeakPolarHBondContact CA-O 3.27Å; F518-C618 PolarHBondContact N-O 3.41Å; E615-C618 HydrophobicContact CB-CB 4.47Å; E615-C618 WeakPolarHBondContact O-CB 3.28Å; E615-C618 PolarHBondContact O-N 2.91Å; E615-C618 PolarHBondContact O-SG 2.97Å; T616-C618 PolarHBondContact O-N 3.18Å
619I82.8Confident82.9Confident68 Ų6846.2 Ų46.235%0.34925%0.25SS..EExtended strand (participates in β ladder)trans-89.3118.7179.5-51.8171.4000108.9T515 R517 Q631T515-I619 HydrophobicContact CG2-CG2 4.48Å; R517-I619 HydrophobicContact CG-CG1 4.3Å; I619-Q631 HydrophobicContact CB-CB 4.41Å; I619-Q631 HydrophobicContact CG2-CB 4.2Å; I619-Q631 WeakPolarHBondContact O-CB 3.41Å; I619-Q631 PolarHBondContact O-N 2.91Å
620V87.1Confident83.1Confident0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-106.3148.9176.9-620000110.3T515 W516 F518 F614 V628 F629T515-V620 VanDerWaalsContact CA-O 3.25Å; T515-V620 WeakPolarHBondContact CA-O 3.21Å; W516-V620 HydrophobicContact CD2-CG2 3.87Å; W516-V620 VanDerWaalsContact CE2-CG2 3.48Å; W516-V620 HydrophobicContact CG-CG2 4.04Å; W516-V620 HydrophobicContact CZ2-CG2 3.94Å; W516-V620 PolarHBondContact N-O 3.33Å; W516-V620 VanDerWaalsContact N-O 3.07Å; W516-V620 WeakPolarHBondContact O-CG2 3.24Å; W516-V620 PolarHBondContact O-N 3.4Å; F518-V620 HydrophobicContact CB-CG1 4.19Å; F614-V620 HydrophobicContact CD1-CG1 3.45Å; F614-V620 VanDerWaalsContact CD1-CG1 3.45Å; F614-V620 HydrophobicContact CE1-CG1 3.56Å; F614-V620 HydrophobicContact CG-CG1 4.11Å; F614-V620 HydrophobicContact CZ-CG1 4.26Å; V620-V628 HydrophobicContact CB-CG1 3.73Å; V620-V628 HydrophobicContact CG2-CG1 3.95Å; V620-F629 CarbonylContact C-O 3.6Å; V620-F629 VanDerWaalsContact CA-O 3.3Å; V620-F629 WeakPolarHBondContact CA-O 3.49Å
621M85.1Confident83.2Confident6 Ų645.8 Ų45.83%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-124.9129.3-178.6-178179-81.800109.8L513 P514 T515 V628 F629 Q631 I634 V635L513-M621 HydrophobicContact CB-CE 4.28Å; L513-M621 HydrophobicContact CB-CG 3.91Å; L513-M621 HydrophobicContact CB-SD 3.89Å; L513-M621 HydrophobicContact CD1-CG 4.42Å; L513-M621 HydrophobicContact CD1-SD 3.75Å; L513-M621 HydrophobicContact CG-SD 4.49Å; P514-M621 WeakPolarHBondContact O-CA 3.37Å; T515-M621 HydrophobicContact CG2-CB 3.89Å; T515-M621 HydrophobicContact CG2-CE 3.5Å; T515-M621 HydrophobicContact CG2-CG 3.94Å; M621-V628 WeakPolarHBondContact O-CA 3.36Å; M621-F629 PolarHBondContact N-O 3.43Å; M621-F629 PolarHBondContact O-N 3.38Å; M621-Q631 HydrophobicContact CB-CB 4.28Å; M621-Q631 HydrophobicContact CE-CG 3.86Å; M621-I634 HydrophobicContact CB-CG2 3.8Å; M621-I634 HydrophobicContact CG-CG2 3.97Å; M621-I634 HydrophobicContact SD-CG2 3.5Å; M621-I634 WeakPolarHBondContact SD-CG2 3.3Å; M621-V635 HydrophobicContact CE-CG2 3.94Å; M621-V635 HydrophobicContact SD-CG2 4.11Å
622G85.9Confident83.1Confident0 Ų046.4 Ų46.40%024%0.24CC..EExtended strand (participates in β ladder)trans-98.5139.317800000112.4P514P514-G622 WeakPolarHBondContact CD-O 3.37Å; P514-G622 WeakPolarHBondContact CG-O 3.15Å; P514-G622 PolarHBondContact O-N 3.36Å
623L86.9Confident83.2Confident1 Ų141.8 Ų41.81%0.00522%0.221CC..  trans-91.5159.1171.5-68.2-176.1000112L513 C625 A626 H627 F629 I634 L638 C645L513-L623 HydrophobicContact CD1-CD2 3.74Å; L513-L623 HydrophobicContact CD2-CD2 4.22Å; L623-C625 PolarHBondContact O-N 3.37Å; L623-A626 PolarHBondContact O-N 2.74Å; L623-H627 PolarHBondContact N-O 3.21Å; L623-F629 HydrophobicContact CD1-CD2 4.47Å; L623-F629 HydrophobicContact CD1-CE2 3.83Å; L623-F629 HydrophobicContact CG-CD2 4.46Å; L623-F629 HydrophobicContact CG-CE2 4.15Å; L623-I634 HydrophobicContact CD1-CD1 4.11Å; L623-I634 HydrophobicContact CD1-CG1 4.35Å; L623-I634 HydrophobicContact CD2-CG1 4.24Å; L623-I634 HydrophobicContact CG-CG1 4.39Å; L623-L638 HydrophobicContact CD2-CD1 4.11Å; L623-C645 HydrophobicContact CD1-CB 3.65Å
624P81.6Confident83.4Confident37 Ų3737.5 Ų37.524%0.2420%0.198CC..THydrogen-bonded Turntrans-60.5-8.4176.4-26.437.7000115.5L513 S652 R655L513-P624 HydrophobicContact CD2-CG 4.18Å; P624-S652 WeakPolarHBondContact CD-O 3.22Å; P624-S652 WeakPolarHBondContact CG-O 3.48Å; P624-R655 HydrophobicContact CB-CB 4.45Å; P624-R655 HydrophobicContact CB-CG 3.85Å
625C83.1Confident83.5Confident19 Ų1939.6 Ų39.613%0.12821%0.211CC..THydrogen-bonded Turntrans-93.61317267.60000113.6L623 H627 C645 C648L623-C625 PolarHBondContact O-N 3.37Å; C625-H627 VanDerWaalsContact C-N 3.29Å; C625-H627 PolarHBondContact O-N 2.89Å; C625-H627 PolarHBondContact SG-ND1 3.05Å; C625-H627 VanDerWaalsContact SG-ND1 3.41Å; C625-C645 PolarHBondContact SG-SG 3.43Å; C625-C648 VanDerWaalsContact SG-SG 3.68Å
626A83.3Confident83.9Confident22 Ų2237.4 Ų37.418%0.18221%0.208CC..SBendtrans70.54.1179.100000116.9D600 I602 L623D600-A626 WeakPolarHBondContact O-CB 3.39Å; I602-A626 WeakPolarHBondContact CB-O 3.25Å; I602-A626 HydrophobicContact CD1-CB 4.09Å; I602-A626 HydrophobicContact CG1-CB 3.88Å; I602-A626 PolarHBondContact N-O 3.18Å; L623-A626 PolarHBondContact O-N 2.74Å
627H87.3Confident84.2Confident39 Ų3938.5 Ų38.518%0.18121%0.205CC..  trans-86.8144.7176-65.8109.2000111.1L623 C625 F629 V647L623-H627 PolarHBondContact N-O 3.21Å; C625-H627 VanDerWaalsContact C-N 3.29Å; C625-H627 PolarHBondContact O-N 2.89Å; C625-H627 PolarHBondContact SG-ND1 3.05Å; C625-H627 VanDerWaalsContact SG-ND1 3.41Å; H627-F629 HydrophobicContact CB-CE2 3.74Å; H627-F629 HydrophobicContact CB-CZ 3.87Å; H627-V647 WeakPolarHBondContact NE2-CG1 3.47Å
628V86.9Confident84.6Confident5 Ų534.7 Ų34.73%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-122.9141.4-171.8-175.10000110.9W516 W597 M601 V620 M621W516-V628 HydrophobicContact CH2-CB 4.44Å; W516-V628 HydrophobicContact CH2-CG1 3.91Å; W516-V628 HydrophobicContact CH2-CG2 3.64Å; W516-V628 HydrophobicContact CZ2-CB 4.46Å; W516-V628 HydrophobicContact CZ2-CG1 3.75Å; W516-V628 HydrophobicContact CZ2-CG2 3.83Å; W597-V628 HydrophobicContact CH2-CB 4.02Å; W597-V628 HydrophobicContact CH2-CG1 3.78Å; W597-V628 HydrophobicContact CH2-CG2 4.2Å; W597-V628 HydrophobicContact CZ2-CB 3.81Å; W597-V628 HydrophobicContact CZ2-CG1 3.99Å; W597-V628 HydrophobicContact CZ2-CG2 3.52Å; M601-V628 HydrophobicContact CB-CG2 3.94Å; M601-V628 HydrophobicContact CG-CG2 4.35Å; M601-V628 HydrophobicContact SD-CG2 4.23Å; V620-V628 HydrophobicContact CB-CG1 3.73Å; V620-V628 HydrophobicContact CG2-CG1 3.95Å; M621-V628 WeakPolarHBondContact O-CA 3.36Å
629F89Confident84.3Confident1 Ų136.3 Ų36.30%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-143.7166.5-175.7-52.1-90.5000110.5V608 V609 V620 M621 L623 H627 Q631 I634 P646 V647V608-F629 HydrophobicContact CG2-CD1 3.99Å; V608-F629 HydrophobicContact CG2-CE1 3.43Å; V608-F629 VanDerWaalsContact CG2-CE1 3.43Å; V608-F629 HydrophobicContact CG2-CZ 4.48Å; V609-F629 HydrophobicContact CG2-CD1 3.73Å; V609-F629 HydrophobicContact CG2-CE1 4.11Å; V620-F629 CarbonylContact C-O 3.6Å; V620-F629 VanDerWaalsContact CA-O 3.3Å; V620-F629 WeakPolarHBondContact CA-O 3.49Å; M621-F629 PolarHBondContact N-O 3.43Å; M621-F629 PolarHBondContact O-N 3.38Å; L623-F629 HydrophobicContact CD1-CD2 4.47Å; L623-F629 HydrophobicContact CD1-CE2 3.83Å; L623-F629 HydrophobicContact CG-CD2 4.46Å; L623-F629 HydrophobicContact CG-CE2 4.15Å; H627-F629 HydrophobicContact CB-CE2 3.74Å; H627-F629 HydrophobicContact CB-CZ 3.87Å; F629-Q631 PolarHBondContact O-N 2.81Å; F629-I634 HydrophobicContact CB-CB 3.84Å; F629-I634 HydrophobicContact CB-CG1 4.47Å; F629-I634 HydrophobicContact CB-CG2 4.27Å; F629-I634 HydrophobicContact CD2-CB 4.28Å; F629-I634 HydrophobicContact CD2-CD1 3.89Å; F629-I634 HydrophobicContact CD2-CG1 3.97Å; F629-I634 HydrophobicContact CE2-CD1 4.14Å; F629-I634 HydrophobicContact CG-CB 4.21Å; F629-I634 HydrophobicContact CG-CD1 4.17Å; F629-I634 HydrophobicContact CG-CG1 4.34Å; F629-P646 HydrophobicContact CE1-CB 4.08Å; F629-P646 HydrophobicContact CE1-CG 3.88Å; F629-P646 HydrophobicContact CZ-CB 4.33Å; F629-P646 HydrophobicContact CZ-CG 4.02Å; F629-V647 HydrophobicContact CE1-CG2 4Å; F629-V647 HydrophobicContact CZ-CG2 3.86Å
630H87.1Confident83.7Confident28 Ų2835.8 Ų35.813%0.1321%0.211CC..EExtended strand (participates in β ladder)trans-59.8135.9165.1-69.5126.1000109.7C607 C610 F614 Q632 C633 I634C607-H630 VanDerWaalsContact CB-ND1 3.27Å; C607-H630 WeakPolarHBondContact CB-ND1 3.07Å; C607-H630 PolarHBondContact SG-N 2.81Å; C607-H630 VanDerWaalsContact SG-N 3.43Å; C610-H630 PolarHBondContact SG-ND1 3.07Å; C610-H630 VanDerWaalsContact SG-ND1 3.36Å; F614-H630 AromaticContact CD1-CD2 3.53Å; F614-H630 AromaticContact CD1-CE1 3.9Å; F614-H630 AromaticContact CD1-NE2 3.28Å; F614-H630 VanDerWaalsContact CD1-NE2 3.28Å; F614-H630 WeakPolarHBondContact CD1-NE2 3.34Å; F614-H630 AromaticContact CE1-CD2 3.76Å; F614-H630 AromaticContact CE1-NE2 3.82Å; H630-Q632 VanDerWaalsContact C-N 3.32Å; H630-Q632 PolarHBondContact O-N 3.32Å; H630-C633 HydrophobicContact CB-CB 4Å; H630-C633 PolarHBondContact O-N 2.9Å; H630-C633 VanDerWaalsContact O-N 3.1Å; H630-I634 PolarHBondContact O-N 2.91Å; H630-I634 VanDerWaalsContact O-N 3.07Å
631Q85.7Confident82.6Confident59 Ų5938.3 Ų38.328%0.27624%0.237SC..Hα-helixtrans-52.8-50-179.7173.9174.115.100111.6I619 M621 F629 C633 I634 V635I619-Q631 HydrophobicContact CB-CB 4.41Å; I619-Q631 HydrophobicContact CG2-CB 4.2Å; I619-Q631 WeakPolarHBondContact O-CB 3.41Å; I619-Q631 PolarHBondContact O-N 2.91Å; M621-Q631 HydrophobicContact CB-CB 4.28Å; M621-Q631 HydrophobicContact CE-CG 3.86Å; F629-Q631 PolarHBondContact O-N 2.81Å; Q631-C633 VanDerWaalsContact C-N 3.32Å; Q631-C633 PolarHBondContact O-N 3.3Å; Q631-I634 PolarHBondContact O-N 3.2Å; Q631-V635 HydrophobicContact CG-CG2 4.26Å; Q631-V635 WeakPolarHBondContact O-CB 3.5Å; Q631-V635 WeakPolarHBondContact O-CG2 3.5Å; Q631-V635 PolarHBondContact O-N 3.11Å
632Q83.6Confident81.8Confident148 Ų14842.6 Ų42.669%0.69226%0.257SS*.Hα-helixtrans-58.1-44.7179.3-124.181.7400112.1H630 V636H630-Q632 VanDerWaalsContact C-N 3.32Å; H630-Q632 PolarHBondContact O-N 3.32Å; Q632-V636 VanDerWaalsContact O-CG2 3.27Å; Q632-V636 WeakPolarHBondContact O-CG2 3.27Å; Q632-V636 PolarHBondContact O-N 3.3Å; Q632-V636 VanDerWaalsContact O-N 3.1Å
633C83.5Confident81.5Confident29 Ų2944.4 Ų44.420%0.19627%0.265CS..Hα-helixtrans-65.3-45.9-175-69.30000111.6V609 H630 Q631 W637V609-C633 HydrophobicContact CB-CB 4.02Å; V609-C633 HydrophobicContact CG1-CB 3.91Å; H630-C633 HydrophobicContact CB-CB 4Å; H630-C633 PolarHBondContact O-N 2.9Å; H630-C633 VanDerWaalsContact O-N 3.1Å; Q631-C633 VanDerWaalsContact C-N 3.32Å; Q631-C633 PolarHBondContact O-N 3.3Å; C633-W637 WeakPolarHBondContact O-CB 3.49Å; C633-W637 PolarHBondContact O-N 3.14Å; C633-W637 VanDerWaalsContact O-N 3.12Å
634I84.5Confident81.3Confident0 Ų046.2 Ų46.20%028%0.278CS..Hα-helixtrans-76.6-31.1-177.4-165.361.1000112.5M621 L623 F629 H630 Q631 W637 L638 P646M621-I634 HydrophobicContact CB-CG2 3.8Å; M621-I634 HydrophobicContact CG-CG2 3.97Å; M621-I634 HydrophobicContact SD-CG2 3.5Å; M621-I634 WeakPolarHBondContact SD-CG2 3.3Å; L623-I634 HydrophobicContact CD1-CD1 4.11Å; L623-I634 HydrophobicContact CD1-CG1 4.35Å; L623-I634 HydrophobicContact CD2-CG1 4.24Å; L623-I634 HydrophobicContact CG-CG1 4.39Å; F629-I634 HydrophobicContact CB-CB 3.84Å; F629-I634 HydrophobicContact CB-CG1 4.47Å; F629-I634 HydrophobicContact CB-CG2 4.27Å; F629-I634 HydrophobicContact CD2-CB 4.28Å; F629-I634 HydrophobicContact CD2-CD1 3.89Å; F629-I634 HydrophobicContact CD2-CG1 3.97Å; F629-I634 HydrophobicContact CE2-CD1 4.14Å; F629-I634 HydrophobicContact CG-CB 4.21Å; F629-I634 HydrophobicContact CG-CD1 4.17Å; F629-I634 HydrophobicContact CG-CG1 4.34Å; H630-I634 PolarHBondContact O-N 2.91Å; H630-I634 VanDerWaalsContact O-N 3.07Å; Q631-I634 PolarHBondContact O-N 3.2Å; I634-W637 HydrophobicContact CD1-CB 4.31Å; I634-W637 HydrophobicContact CD1-CG 4.42Å; I634-W637 PolarHBondContact O-N 3.12Å; I634-L638 HydrophobicContact CD1-CG 4.36Å; I634-L638 HydrophobicContact CG1-CD1 4.09Å; I634-L638 HydrophobicContact CG1-CG 4.22Å; I634-L638 WeakPolarHBondContact O-CB 3.31Å; I634-L638 VanDerWaalsContact O-CG 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.42Å; I634-L638 PolarHBondContact O-N 2.86Å; I634-P646 HydrophobicContact CD1-CG 3.88Å
635V83.3Confident81.4Confident49 Ų4944.5 Ų44.530%0.29727%0.266SS..Hα-helixtrans-64.5-45174.3170.80000110.4I510 M621 Q631 W637 L638 A639I510-V635 HydrophobicContact CG2-CG2 3.9Å; M621-V635 HydrophobicContact CE-CG2 3.94Å; M621-V635 HydrophobicContact SD-CG2 4.11Å; Q631-V635 HydrophobicContact CG-CG2 4.26Å; Q631-V635 WeakPolarHBondContact O-CB 3.5Å; Q631-V635 WeakPolarHBondContact O-CG2 3.5Å; Q631-V635 PolarHBondContact O-N 3.11Å; V635-W637 VanDerWaalsContact C-N 3.33Å; V635-W637 PolarHBondContact O-N 3.46Å; V635-L638 PolarHBondContact O-N 2.72Å; V635-A639 WeakPolarHBondContact O-CB 3.48Å; V635-A639 PolarHBondContact O-N 3.05Å
636V84.3Confident81.5Confident105 Ų10545.3 Ų45.364%0.63627%0.271SS*.Hα-helixtrans-61.1-43.7175.9171.70000110.9Q632 A639 G640Q632-V636 VanDerWaalsContact O-CG2 3.27Å; Q632-V636 WeakPolarHBondContact O-CG2 3.27Å; Q632-V636 PolarHBondContact O-N 3.3Å; Q632-V636 VanDerWaalsContact O-N 3.1Å; V636-A639 PolarHBondContact O-N 3.08Å; V636-G640 PolarHBondContact O-N 3.34Å
637W82.8Confident81.5Confident89 Ų8947.8 Ų47.834%0.33728%0.284SS..Hα-helixtrans-59.6-48.4177.2-178.2-89.3000112.7C633 I634 V635 G640 Q642 C644 P646C633-W637 WeakPolarHBondContact O-CB 3.49Å; C633-W637 PolarHBondContact O-N 3.14Å; C633-W637 VanDerWaalsContact O-N 3.12Å; I634-W637 HydrophobicContact CD1-CB 4.31Å; I634-W637 HydrophobicContact CD1-CG 4.42Å; I634-W637 PolarHBondContact O-N 3.12Å; V635-W637 VanDerWaalsContact C-N 3.33Å; V635-W637 PolarHBondContact O-N 3.46Å; W637-G640 PolarHBondContact O-N 3.17Å; W637-Q642 VanDerWaalsContact CE2-OE1 3.31Å; W637-Q642 VanDerWaalsContact CH2-OE1 3.29Å; W637-C644 PolarHBondContact NE1-O 3.49Å; W637-C644 VanDerWaalsContact NE1-O 3.15Å; W637-P646 HydrophobicContact CD2-CG 4.09Å; W637-P646 HydrophobicContact CG-CG 4.13Å; W637-P646 HydrophobicContact CZ2-CB 4.48Å; W637-P646 HydrophobicContact CZ2-CG 4.42Å
638L81.6Confident81.1Confident0 Ų047.9 Ų47.90%029%0.289CS..Hα-helixtrans-73.2-31.8-178.6-66.7176.9000112.9I510 L513 L623 I634 V635 G640 Q642I510-L638 HydrophobicContact CD1-CB 3.53Å; I510-L638 HydrophobicContact CD1-CD1 4.35Å; I510-L638 HydrophobicContact CG1-CB 4.16Å; I510-L638 HydrophobicContact CG1-CD1 4.08Å; I510-L638 HydrophobicContact CG2-CD1 4.36Å; L513-L638 HydrophobicContact CD1-CD1 3.97Å; L623-L638 HydrophobicContact CD2-CD1 4.11Å; I634-L638 HydrophobicContact CD1-CG 4.36Å; I634-L638 HydrophobicContact CG1-CD1 4.09Å; I634-L638 HydrophobicContact CG1-CG 4.22Å; I634-L638 WeakPolarHBondContact O-CB 3.31Å; I634-L638 VanDerWaalsContact O-CG 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.42Å; I634-L638 PolarHBondContact O-N 2.86Å; V635-L638 PolarHBondContact O-N 2.72Å; L638-G640 VanDerWaalsContact C-N 3.32Å; L638-Q642 WeakPolarHBondContact CD2-O 3.37Å
639A75.6Confident80.9Confident57 Ų5757.8 Ų57.847%0.47133%0.326SS..Hα-helixtrans-72.1-26.6175.200000112.3V635 V636 G641V635-A639 WeakPolarHBondContact O-CB 3.48Å; V635-A639 PolarHBondContact O-N 3.05Å; V636-A639 PolarHBondContact O-N 3.08Å; A639-G641 PolarHBondContact O-N 3.5Å
640G69.6Low80.3Confident58 Ų5858.2 Ų58.260%0.59833%0.33SS*.THydrogen-bonded Turntrans-71.215.7173.400000115.3V636 W637 L638V636-G640 PolarHBondContact O-N 3.34Å; W637-G640 PolarHBondContact O-N 3.17Å; L638-G640 VanDerWaalsContact C-N 3.32Å
641G64.2Low80Confident53 Ų5359.4 Ų59.455%0.54634%0.34SS..THydrogen-bonded Turntrans85.50.5175.900000115.5A639 H643A639-G641 PolarHBondContact O-N 3.5Å; G641-H643 PolarHBondContact O-N 2.9Å
642Q68.3Low79.6Confident96 Ų9656.6 Ų56.645%0.44933%0.328SS..  trans-100.382.8-178.2-66.7169.13.900110.1W637 L638 C644W637-Q642 VanDerWaalsContact CE2-OE1 3.31Å; W637-Q642 VanDerWaalsContact CH2-OE1 3.29Å; L638-Q642 WeakPolarHBondContact CD2-O 3.37Å; Q642-C644 PolarHBondContact O-N 3.37Å
643H80.1Confident79.3Confident38 Ų3853.9 Ų53.918%0.17631%0.312CS..  trans-76.143.9-178.6-57.6-56.9000114I505 Y509 G641 S652 Y653I505-H643 HydrophobicContact CD1-CB 3.81Å; Y509-H643 PolarHBondContact OH-ND1 3.17Å; Y509-H643 VanDerWaalsContact OH-ND1 3.17Å; G641-H643 PolarHBondContact O-N 2.9Å; H643-S652 VanDerWaalsContact C-OG 3.25Å; H643-S652 PolarHBondContact O-N 3.3Å; H643-S652 PolarHBondContact O-OG 3.43Å; H643-S652 VanDerWaalsContact O-OG 3.05Å; H643-Y653 HydrophobicContact CB-CD1 4.43Å; H643-Y653 HydrophobicContact CB-CE1 4.28Å
644C82.9Confident78.8Confident39 Ų3958.7 Ų58.726%0.26433%0.329SS..BIsolated β-bridgetrans-138.7152.2-17966.90000111.7W637 Q642 G650W637-C644 PolarHBondContact NE1-O 3.49Å; W637-C644 VanDerWaalsContact NE1-O 3.15Å; Q642-C644 PolarHBondContact O-N 3.37Å; C644-G650 CarbonylContact C-O 3.53Å; C644-G650 VanDerWaalsContact CA-O 3.27Å; C644-G650 WeakPolarHBondContact CA-O 3.46Å
645C83.9Confident77.8Confident0 Ų068.7 Ų68.70%037%0.367CS..  trans-67.9130.9179.11750000111.6L623 C625 V647 R649 G650L623-C645 HydrophobicContact CD1-CB 3.65Å; C625-C645 PolarHBondContact SG-SG 3.43Å; C645-V647 PolarHBondContact O-N 3.49Å; C645-V647 PolarHBondContact SG-N 3.24Å; C645-R649 WeakPolarHBondContact O-CA 3.28Å; C645-R649 PolarHBondContact O-N 3.07Å; C645-G650 PolarHBondContact N-O 3.11Å
646P83.7Confident76.4Confident36 Ų3672.7 Ų72.723%0.23438%0.38CS..THydrogen-bonded Turntrans-56.4-32.8177.3-25.831.7000114.3V609 F629 I634 W637V609-P646 HydrophobicContact CG2-CB 4.23Å; V609-P646 HydrophobicContact CG2-CG 3.84Å; F629-P646 HydrophobicContact CE1-CB 4.08Å; F629-P646 HydrophobicContact CE1-CG 3.88Å; F629-P646 HydrophobicContact CZ-CB 4.33Å; F629-P646 HydrophobicContact CZ-CG 4.02Å; I634-P646 HydrophobicContact CD1-CG 3.88Å; W637-P646 HydrophobicContact CD2-CG 4.09Å; W637-P646 HydrophobicContact CG-CG 4.13Å; W637-P646 HydrophobicContact CZ2-CB 4.48Å; W637-P646 HydrophobicContact CZ2-CG 4.42Å
647V82.9Confident74.7Confident74 Ų7473.1 Ų73.145%0.44839%0.386SS..THydrogen-bonded Turntrans-81.6-55.5-176.8-179.50000111.4V608 H627 F629 C645V608-V647 HydrophobicContact CG2-CG2 3.62Å; H627-V647 WeakPolarHBondContact NE2-CG1 3.47Å; F629-V647 HydrophobicContact CE1-CG2 4Å; F629-V647 HydrophobicContact CZ-CG2 3.86Å; C645-V647 PolarHBondContact O-N 3.49Å; C645-V647 PolarHBondContact SG-N 3.24Å
648C80.2Confident73.1Confident42 Ų4275.4 Ų75.428%0.28441%0.409SS..THydrogen-bonded Turntrans-108.5-2-16974.10000114.6C625 G650C625-C648 VanDerWaalsContact SG-SG 3.68Å; C648-G650 PolarHBondContact O-N 3.31Å
649R81.3Confident71Confident212 Ų21287.2 Ų87.280%0.845%0.453SS*.  trans5515.1-176.9-55.3-177.5-179.6-159.8-0.7114.7C645C645-R649 WeakPolarHBondContact O-CA 3.28Å; C645-R649 PolarHBondContact O-N 3.07Å
650G77.5Confident69Low10 Ų1089.3 Ų89.310%0.10347%0.465CS..  trans-72.1148.7174.400000111.4C644 C645 C648 S652C644-G650 CarbonylContact C-O 3.53Å; C644-G650 VanDerWaalsContact CA-O 3.27Å; C644-G650 WeakPolarHBondContact CA-O 3.46Å; C645-G650 PolarHBondContact N-O 3.11Å; C648-G650 PolarHBondContact O-N 3.31Å; G650-S652 PolarHBondContact O-N 2.88Å
651P80.4Confident67.3Low53 Ų5392.3 Ų92.334%0.34448%0.476SS..BIsolated β-bridgetrans-58.4126.6176.924-34000111Y653 K654P651-Y653 HydrophobicContact CB-CD1 4.02Å; P651-Y653 HydrophobicContact CB-CE1 3.5Å; P651-Y653 VanDerWaalsContact CB-CE1 3.5Å; P651-Y653 HydrophobicContact CB-CE2 4.42Å; P651-Y653 PolarHBondContact O-N 2.71Å; P651-Y653 VanDerWaalsContact O-N 3.16Å; P651-K654 HydrophobicContact CB-CB 4.44Å; P651-K654 HydrophobicContact CG-CB 3.96Å; P651-K654 HydrophobicContact CG-CD 4.29Å; P651-K654 HydrophobicContact CG-CG 4.35Å; P651-K654 PolarHBondContact O-N 3.05Å
652S78Confident65.9Low1 Ų192.6 Ų92.61%0.00748%0.48CS..THydrogen-bonded Turntrans-68.5-8.7-177.546.70000114.4Y509 P624 H643 G650Y509-S652 PolarHBondContact OH-OG 3.46Å; P624-S652 WeakPolarHBondContact CD-O 3.22Å; P624-S652 WeakPolarHBondContact CG-O 3.48Å; H643-S652 VanDerWaalsContact C-OG 3.25Å; H643-S652 PolarHBondContact O-N 3.3Å; H643-S652 PolarHBondContact O-OG 3.43Å; H643-S652 VanDerWaalsContact O-OG 3.05Å; G650-S652 PolarHBondContact O-N 2.88Å
653Y76.5Confident64.4Low90 Ų9095.8 Ų95.835%0.35350%0.499SS..THydrogen-bonded Turntrans-112.8-3.6-176.456.4-82.7000113I505 H643 P651I505-Y653 HydrophobicContact CD1-CD1 4.07Å; I505-Y653 HydrophobicContact CD1-CE1 3.3Å; I505-Y653 HydrophobicContact CD1-CE2 4.42Å; I505-Y653 VanDerWaalsContact CD1-CZ 3.5Å; I505-Y653 WeakPolarHBondContact CD1-OH 3.1Å; I505-Y653 HydrophobicContact CG1-CE1 4.02Å; I505-Y653 HydrophobicContact CG1-CE2 4.42Å; I505-Y653 HydrophobicContact CG2-CD1 4.11Å; I505-Y653 HydrophobicContact CG2-CE1 4.43Å; I505-Y653 HydrophobicContact CG2-CG 4.24Å; H643-Y653 HydrophobicContact CB-CD1 4.43Å; H643-Y653 HydrophobicContact CB-CE1 4.28Å; P651-Y653 HydrophobicContact CB-CD1 4.02Å; P651-Y653 HydrophobicContact CB-CE1 3.5Å; P651-Y653 VanDerWaalsContact CB-CE1 3.5Å; P651-Y653 HydrophobicContact CB-CE2 4.42Å; P651-Y653 PolarHBondContact O-N 2.71Å; P651-Y653 VanDerWaalsContact O-N 3.16Å
654K73.7Confident62Low131 Ų131101.6 Ų101.657%0.5753%0.531SS*.SBendtrans-116.2126.4174.6-63.4-176.2176.6-178.60110.2P651 K656P651-K654 HydrophobicContact CB-CB 4.44Å; P651-K654 HydrophobicContact CG-CB 3.96Å; P651-K654 HydrophobicContact CG-CD 4.29Å; P651-K654 HydrophobicContact CG-CG 4.35Å; P651-K654 PolarHBondContact O-N 3.05Å; K654-K656 PolarHBondContact O-N 3.08Å
655R63Low59.7Low209 Ų209107.8 Ų107.879%0.78956%0.561SS**PPolyproline II helixtrans-64.2129.1170.6-75-176.3-177.1-152.71.1109.2P624P624-R655 HydrophobicContact CB-CB 4.45Å; P624-R655 HydrophobicContact CB-CG 3.85Å
656K54.8Low57.6Low133 Ų133115.6 Ų115.658%0.57860%0.602SS**PPolyproline II helixtrans-78.6127.8169.5-134177-174.6177.40106.9K654 V658K654-K656 PolarHBondContact O-N 3.08Å; K656-V658 PolarHBondContact O-N 3.09Å
657P47.7Very low55.1Low115 Ų115122.9 Ų122.975%0.74763%0.633SS**PPolyproline II helixtrans-60.9125.6171.223.9-30.1000107.9R659P657-R659 PolarHBondContact O-N 3.33Å; P657-R659 VanDerWaalsContact O-N 3.11Å
658V49.3Very low52.5Low136 Ų136128.7 Ų128.782%0.82466%0.655SS**PPolyproline II helixtrans-59.2116.3174.8179.50000106.5K656 S660K656-V658 PolarHBondContact O-N 3.09Å; V658-S660 VanDerWaalsContact C-N 3.28Å; V658-S660 PolarHBondContact O-N 3.14Å
659R38Very low50.2Low248 Ų248136 Ų13694%0.93669%0.685SS**  trans-6893.5169.3-88-177.3168.9172.2-3.7107.2P657P657-R659 PolarHBondContact O-N 3.33Å; P657-R659 VanDerWaalsContact O-N 3.11Å
660S33.8Very low47.8Very low101 Ų101139 Ų13971%0.70671%0.708SS**  trans-60.1132.3154.948.40000107.6V658 G662V658-S660 VanDerWaalsContact C-N 3.28Å; V658-S660 PolarHBondContact O-N 3.14Å; S660-G662 PolarHBondContact O-N 3.37Å; S660-G662 VanDerWaalsContact O-N 3.17Å
661S33.8Very low46.3Very low121 Ų121145.4 Ų145.485%0.84674%0.738SS**SBendtrans-49.5117.2169.447.10000111.2
662G35Very low44.5Very low60 Ų60150.3 Ų150.362%0.61976%0.759SS**SBendtrans76.8129.8156.900000118S660S660-G662 PolarHBondContact O-N 3.37Å; S660-G662 VanDerWaalsContact O-N 3.17Å
663L36.2Very low42.6Very low163 Ų163158.6 Ų158.685%0.85380%0.801SS**  trans67.596.5167.1-71.3119.6000117.4
664D29.8Very low40.6Very low160 Ų160162.6 Ų162.686%0.85683%0.827SS**  -178.8111.2108.3-84.6-23000109.7
665L34.5Very low38.6Very low169 Ų169164.6 Ų164.689%0.88584%0.843SS**  trans-95.2145.2167-93.1158.5000107.4
666L38.8Very low36.9Very low164 Ų164161.6 Ų161.686%0.85985%0.847SS**  trans108.388167.7-58172.7000114.3
667E31.7Very low35.6Very low188 Ų188163.6 Ų163.688%0.87987%0.866SS**  -178.7133.8124.2-106.1175.1158.500110
668Q29Very low34.7Very low197 Ų197167.4 Ų167.492%0.92188%0.875SS**  trans127.967.4162.9-69.6173.40.800113
669Q30.5Very low33.5Very low196 Ų196170 Ų17092%0.91688%0.879SS**  trans-108.6107.5140.8-113.1-179.4-14.600105.7
670E31.1Very low33.1Very low273 Ų273162.9 Ų162.9100%1.27687%0.874SS**  trans-152.80148.5-103.9-174.1170.700108.7

Retrieved 670 of 670 residues in 2245.6 ms (Link to these results)

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