A0A3Q0KF42_SCHMA Loading...

Polyglutamylase complex subunit TTLL1

AlphaFold DB , UniProt , Accession A0A3Q0KF42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 436 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
1M51.4Low84.7Confident235 Ų23582 Ų82100%1.15840%0.403SS*.  0129.70-73.7176.2-167.200107.5R3M1-R3 PolarHBondContact O-N 3.4Å
2S59.6Low84.9Confident94 Ų9481.8 Ų81.866%0.65740%0.398SS*.PPolyproline II helixtrans-60130.5172.9570000108.4I4 V361S2-I4 PolarHBondContact O-N 2.91Å; S2-V361 WeakPolarHBondContact OG-CG2 3.37Å
3R81.5Confident85.3Confident186 Ų18681.2 Ų81.270%0.70241%0.407SS*.PPolyproline II helixtrans-67.4131.7171.9-82.1-176.8174.6169.4-2.5107.9M1 K5M1-R3 PolarHBondContact O-N 3.4Å; R3-K5 PolarHBondContact O-N 3.45Å
4I92.4Very high85.7Confident3 Ų375.7 Ų75.72%0.01538%0.38CS..PPolyproline II helixtrans-57136.6172.9-69.9173.8000108.9S2 W24 T25 N34 I35 V356 G359 T360 V361S2-I4 PolarHBondContact O-N 2.91Å; I4-W24 HydrophobicContact CB-CD2 3.86Å; I4-W24 HydrophobicContact CB-CE3 4.48Å; I4-W24 HydrophobicContact CB-CG 3.85Å; I4-W24 HydrophobicContact CD1-CD2 4.36Å; I4-W24 HydrophobicContact CD1-CH2 4.22Å; I4-W24 HydrophobicContact CD1-CZ2 3.5Å; I4-W24 HydrophobicContact CG2-CD2 3.55Å; I4-W24 HydrophobicContact CG2-CE3 3.67Å; I4-W24 HydrophobicContact CG2-CG 3.96Å; I4-W24 HydrophobicContact CG2-CH2 4.38Å; I4-W24 HydrophobicContact CG2-CZ2 4.29Å; I4-W24 HydrophobicContact CG2-CZ3 4.1Å; I4-W24 WeakPolarHBondContact O-CA 3.3Å; I4-W24 WeakPolarHBondContact O-CB 3.35Å; I4-T25 PolarHBondContact O-N 2.79Å; I4-N34 HydrophobicContact CG2-CB 4.15Å; I4-I35 HydrophobicContact CG2-CG2 4.43Å; I4-V356 HydrophobicContact CD1-CG1 3.7Å; I4-G359 WeakPolarHBondContact CD1-O 3.41Å; I4-T360 WeakPolarHBondContact CD1-O 3.19Å; I4-V361 HydrophobicContact CG1-CG2 4.41Å
5K95Very high86.1Confident70 Ų7070.7 Ų70.730%0.30436%0.355SS..EExtended strand (participates in β ladder)trans-103.6135.1174-58.2173.4-173.4173.80109.9R3 T25 V27 D32 N34 I35R3-K5 PolarHBondContact O-N 3.45Å; K5-T25 CarbonylContact C-O 3.45Å; K5-T25 VanDerWaalsContact CA-O 3.25Å; K5-T25 WeakPolarHBondContact CA-O 3.47Å; K5-V27 HydrophobicContact CB-CG1 4.1Å; K5-V27 HydrophobicContact CB-CG2 4.06Å; K5-V27 HydrophobicContact CD-CG1 4.15Å; K5-V27 HydrophobicContact CG-CG1 4.25Å; K5-D32 WeakPolarHBondContact CD-O 3.35Å; K5-D32 IonicContact NZ-OD2 2.77Å; K5-D32 PolarHBondContact NZ-OD2 3.38Å; K5-N34 PolarHBondContact N-OD1 3.26Å; K5-N34 WeakPolarHBondContact O-CB 3.08Å; K5-N34 PolarHBondContact O-N 2.71Å; K5-I35 PolarHBondContact O-N 2.98Å
6Y95.3Very high86.5Confident8 Ų868.3 Ų68.33%0.03135%0.345CS..EExtended strand (participates in β ladder)trans-122.6145.8175.877.9-86.6000111.9T8 F19 W24 T25 V26 V27 I35Y6-T8 HydrophobicContact CE2-CG2 4.42Å; Y6-F19 HydrophobicContact CD1-CB 3.63Å; Y6-F19 HydrophobicContact CD1-CD2 4.44Å; Y6-F19 HydrophobicContact CD1-CG 4.12Å; Y6-F19 HydrophobicContact CD2-CB 3.95Å; Y6-F19 AromaticContact CD2-CD2 3.27Å; Y6-F19 HydrophobicContact CD2-CD2 3.27Å; Y6-F19 AromaticContact CD2-CE2 3.85Å; Y6-F19 HydrophobicContact CD2-CE2 3.85Å; Y6-F19 AromaticContact CD2-CG 3.79Å; Y6-F19 HydrophobicContact CD2-CG 3.79Å; Y6-F19 HydrophobicContact CE1-CB 3.56Å; Y6-F19 HydrophobicContact CE1-CG 4.41Å; Y6-F19 HydrophobicContact CE2-CB 3.9Å; Y6-F19 AromaticContact CE2-CD2 3.59Å; Y6-F19 HydrophobicContact CE2-CD2 3.59Å; Y6-F19 HydrophobicContact CE2-CE2 4.47Å; Y6-F19 HydrophobicContact CE2-CG 4.12Å; Y6-F19 HydrophobicContact CG-CB 3.81Å; Y6-F19 HydrophobicContact CG-CD1 4.46Å; Y6-F19 AromaticContact CG-CD2 3.74Å; Y6-F19 HydrophobicContact CG-CD2 3.74Å; Y6-F19 HydrophobicContact CG-CE2 4.35Å; Y6-F19 AromaticContact CG-CG 3.78Å; Y6-F19 HydrophobicContact CG-CG 3.78Å; Y6-W24 HydrophobicContact CD1-CB 3.81Å; Y6-W24 HydrophobicContact CE1-CB 4.34Å; Y6-T25 WeakPolarHBondContact CD1-O 3.49Å; Y6-T25 PolarHBondContact N-O 3.47Å; Y6-V26 HydrophobicContact CE1-CB 3.81Å; Y6-V26 HydrophobicContact CE1-CG2 4.47Å; Y6-V26 HydrophobicContact CE2-CB 4.14Å; Y6-V26 HydrophobicContact CE2-CG2 3.89Å; Y6-V26 WeakPolarHBondContact O-CA 3.49Å; Y6-V27 WeakPolarHBondContact O-CG2 3.47Å; Y6-V27 PolarHBondContact O-N 3.08Å; Y6-I35 CarbonylContact C-O 3.51Å; Y6-I35 VanDerWaalsContact CA-O 3.26Å; Y6-I35 WeakPolarHBondContact CA-O 3.47Å
7A95.4Very high86.9Confident0 Ų068.5 Ų68.50%035%0.347CS..EExtended strand (participates in β ladder)trans-118.8151.5168.100000109.5V27 P29 W33 I35 F36 W37A7-V27 HydrophobicContact CB-CG2 4.43Å; A7-P29 HydrophobicContact CB-CG 4.32Å; A7-W33 HydrophobicContact CB-CB 4.13Å; A7-W33 HydrophobicContact CB-CG 4.17Å; A7-I35 PolarHBondContact N-O 3.5Å; A7-F36 HydrophobicContact CB-CB 4.35Å; A7-F36 HydrophobicContact CB-CD2 3.72Å; A7-F36 HydrophobicContact CB-CE2 4.32Å; A7-F36 HydrophobicContact CB-CG 4.21Å; A7-F36 WeakPolarHBondContact O-CA 3.47Å; A7-F36 WeakPolarHBondContact O-CD2 3.43Å; A7-W37 PolarHBondContact O-N 3.07Å
8T94.7Very high87.3Confident33 Ų3364.7 Ų64.720%0.20233%0.328CS..EExtended strand (participates in β ladder)trans-155.5138.3167.7-172.70000110.5Y6 V10 T16 W37Y6-T8 HydrophobicContact CE2-CG2 4.42Å; T8-V10 PolarHBondContact OG1-N 3.41Å; T8-V10 VanDerWaalsContact OG1-N 3.14Å; T8-T16 HydrophobicContact CG2-CG2 4.2Å; T8-W37 WeakPolarHBondContact CA-O 3.32Å; T8-W37 WeakPolarHBondContact CB-O 3.47Å; T8-W37 PolarHBondContact OG1-O 2.99Å
9D93.3Very high87.7Confident57 Ų5761.3 Ų61.331%0.30531%0.311SS..  trans-104.77.5169.766.4-17000111F36 A38 S39 S42D9-F36 HydrophobicContact CB-CE2 4.35Å; D9-F36 HydrophobicContact CB-CZ 4.49Å; D9-A38 VanDerWaalsContact OD1-C 3.24Å; D9-A38 WeakPolarHBondContact OD1-CA 3.41Å; D9-S39 PolarHBondContact OD1-N 2.9Å; D9-S39 WeakPolarHBondContact OD2-CB 3.43Å; D9-S39 PolarHBondContact OD2-N 3.1Å; D9-S39 PolarHBondContact OD2-OG 3.29Å; D9-S42 WeakPolarHBondContact OD2-CB 3.42Å; D9-S42 PolarHBondContact OD2-OG 2.85Å
10V89.2Confident87.9Confident32 Ų3263.8 Ų63.819%0.19432%0.321CS..  trans-104.799.4-179.5-177.50000108.6T8 K12 I15T8-V10 PolarHBondContact OG1-N 3.41Å; T8-V10 VanDerWaalsContact OG1-N 3.14Å; V10-K12 VanDerWaalsContact C-N 3.27Å; V10-K12 HydrophobicContact CG1-CB 4.41Å; V10-K12 HydrophobicContact CG1-CG 3.72Å; V10-K12 PolarHBondContact O-N 3.34Å; V10-I15 HydrophobicContact CB-CD1 4.01Å; V10-I15 HydrophobicContact CG1-CD1 3.67Å
11E83.6Confident88.2Confident184 Ų18464.2 Ų64.286%0.8634%0.335SS*.  trans-71.178.3177.7-65.4-177.7178.300111.8
12K87.7Confident90.1Very high79 Ų7955.9 Ų55.934%0.34329%0.29SS..  trans-131.9121.2172.5-60.5-67.4164.6-147.40110.2V10 V14 I15 T16 L333V10-K12 VanDerWaalsContact C-N 3.27Å; V10-K12 HydrophobicContact CG1-CB 4.41Å; V10-K12 HydrophobicContact CG1-CG 3.72Å; V10-K12 PolarHBondContact O-N 3.34Å; K12-V14 HydrophobicContact CB-CG2 4.27Å; K12-V14 PolarHBondContact O-N 3.47Å; K12-V14 VanDerWaalsContact O-N 3.13Å; K12-I15 HydrophobicContact CB-CD1 3.96Å; K12-I15 HydrophobicContact CB-CG1 4.2Å; K12-I15 HydrophobicContact CG-CD1 4.42Å; K12-I15 WeakPolarHBondContact O-CB 3.35Å; K12-I15 PolarHBondContact O-N 3.01Å; K12-T16 PolarHBondContact O-N 3.2Å; K12-L333 HydrophobicContact CG-CB 4.45Å
13S89.6Confident91.7Very high74 Ų7453.4 Ų53.452%0.51728%0.279SS..Hα-helixtrans-55.7-33179.456.40000113.6I15 T16 N17S13-I15 PolarHBondContact O-N 3.28Å; S13-T16 WeakPolarHBondContact CA-OG1 3.39Å; S13-T16 PolarHBondContact O-OG1 3.45Å; S13-N17 WeakPolarHBondContact O-CB 3.37Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-OD1 3.46Å; S13-N17 VanDerWaalsContact O-OD1 3.09Å
14V91Very high92.2Very high5 Ų545.7 Ų45.73%0.0325%0.251CS..Hα-helixtrans-65.7-23.4177-62.70000113.5K12 N18 L333 K344K12-V14 HydrophobicContact CB-CG2 4.27Å; K12-V14 PolarHBondContact O-N 3.47Å; K12-V14 VanDerWaalsContact O-N 3.13Å; V14-N18 PolarHBondContact O-ND2 2.91Å; V14-L333 HydrophobicContact CG2-CB 3.8Å; V14-L333 HydrophobicContact CG2-CD1 4.2Å; V14-L333 HydrophobicContact CG2-CG 4.42Å; V14-K344 HydrophobicContact CG1-CB 4.44Å
15I92Very high92.3Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-84.5-56.8175.1-59.9169.3000109.1V10 K12 S13 N17 N18 F19 W37 L333V10-I15 HydrophobicContact CB-CD1 4.01Å; V10-I15 HydrophobicContact CG1-CD1 3.67Å; K12-I15 HydrophobicContact CB-CD1 3.96Å; K12-I15 HydrophobicContact CB-CG1 4.2Å; K12-I15 HydrophobicContact CG-CD1 4.42Å; K12-I15 WeakPolarHBondContact O-CB 3.35Å; K12-I15 PolarHBondContact O-N 3.01Å; S13-I15 PolarHBondContact O-N 3.28Å; I15-N17 PolarHBondContact O-N 3.49Å; I15-N18 WeakPolarHBondContact O-CB 3.41Å; I15-N18 PolarHBondContact O-N 2.85Å; I15-N18 VanDerWaalsContact O-N 3.08Å; I15-F19 HydrophobicContact CG2-CD2 3.87Å; I15-F19 HydrophobicContact CG2-CE2 3.35Å; I15-F19 HydrophobicContact CG2-CZ 4.16Å; I15-F19 WeakPolarHBondContact O-CD2 3.47Å; I15-F19 PolarHBondContact O-N 3.44Å; I15-W37 HydrophobicContact CD1-CD2 4.21Å; I15-W37 HydrophobicContact CD1-CG 4.06Å; I15-W37 HydrophobicContact CD1-CZ2 4.46Å; I15-W37 VanDerWaalsContact CD1-NE1 3.35Å; I15-W37 HydrophobicContact CG1-CD2 4.35Å; I15-W37 HydrophobicContact CG1-CZ2 4.42Å; I15-W37 HydrophobicContact CG2-CB 4.07Å; I15-W37 HydrophobicContact CG2-CD2 3.94Å; I15-W37 HydrophobicContact CG2-CE3 4.29Å; I15-W37 HydrophobicContact CG2-CG 3.83Å; I15-L333 HydrophobicContact CD1-CD1 3.78Å; I15-L333 HydrophobicContact CG1-CD1 3.78Å
16T92.7Very high92.3Very high32 Ų3249.7 Ų49.720%0.19628%0.281CS..Hα-helixtrans-59.4-47-175.656.40000111.5T8 K12 S13 N18 F19 E20T8-T16 HydrophobicContact CG2-CG2 4.2Å; K12-T16 PolarHBondContact O-N 3.2Å; S13-T16 WeakPolarHBondContact CA-OG1 3.39Å; S13-T16 PolarHBondContact O-OG1 3.45Å; T16-N18 PolarHBondContact O-N 2.92Å; T16-F19 PolarHBondContact O-N 3.17Å; T16-F19 VanDerWaalsContact O-N 3.08Å; T16-E20 WeakPolarHBondContact O-CG 3.24Å; T16-E20 PolarHBondContact O-N 3.33Å
17N93.4Very high92.3Very high72 Ų7250.3 Ų50.339%0.38529%0.285SS..Hα-helixtrans-62.7-30.7179.6-63.112.3000112S13 I15 A21 Y345S13-N17 WeakPolarHBondContact O-CB 3.37Å; S13-N17 PolarHBondContact O-N 2.91Å; S13-N17 PolarHBondContact O-OD1 3.46Å; S13-N17 VanDerWaalsContact O-OD1 3.09Å; I15-N17 PolarHBondContact O-N 3.49Å; N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.08Å; N17-Y345 HydrophobicContact CB-CE2 3.86Å
18N94.3Very high92.2Very high0 Ų055.2 Ų55.20%031%0.308CS..Hα-helixtrans-69.2-38.3176.9-103.9-67.2000111.8V14 I15 T16 R22 Y345 V348 N349 I352V14-N18 PolarHBondContact O-ND2 2.91Å; I15-N18 WeakPolarHBondContact O-CB 3.41Å; I15-N18 PolarHBondContact O-N 2.85Å; I15-N18 VanDerWaalsContact O-N 3.08Å; T16-N18 PolarHBondContact O-N 2.92Å; N18-R22 WeakPolarHBondContact O-CD 3.46Å; N18-R22 WeakPolarHBondContact O-CG 3.44Å; N18-R22 PolarHBondContact O-NH1 3.48Å; N18-R22 PolarHBondContact OD1-NH1 3.26Å; N18-Y345 WeakPolarHBondContact ND2-CD2 3.47Å; N18-Y345 PolarHBondContact ND2-O 3.04Å; N18-V348 HydrophobicContact CB-CG1 4.01Å; N18-N349 WeakPolarHBondContact OD1-CA 3.34Å; N18-N349 WeakPolarHBondContact OD1-CB 3.25Å; N18-N349 PolarHBondContact OD1-N 2.71Å; N18-N349 PolarHBondContact OD1-OD1 2.9Å; N18-I352 HydrophobicContact CB-CD1 3.84Å
19F93.9Very high92Very high0 Ų055.4 Ų55.40%031%0.31CS..Hα-helixtrans-73.4-43.7175.9-63.5-45.6000112.1Y6 I15 T16 A21 R22 G23 W24 I35 W37 I352Y6-F19 HydrophobicContact CD1-CB 3.63Å; Y6-F19 HydrophobicContact CD1-CD2 4.44Å; Y6-F19 HydrophobicContact CD1-CG 4.12Å; Y6-F19 HydrophobicContact CD2-CB 3.95Å; Y6-F19 AromaticContact CD2-CD2 3.27Å; Y6-F19 HydrophobicContact CD2-CD2 3.27Å; Y6-F19 AromaticContact CD2-CE2 3.85Å; Y6-F19 HydrophobicContact CD2-CE2 3.85Å; Y6-F19 AromaticContact CD2-CG 3.79Å; Y6-F19 HydrophobicContact CD2-CG 3.79Å; Y6-F19 HydrophobicContact CE1-CB 3.56Å; Y6-F19 HydrophobicContact CE1-CG 4.41Å; Y6-F19 HydrophobicContact CE2-CB 3.9Å; Y6-F19 AromaticContact CE2-CD2 3.59Å; Y6-F19 HydrophobicContact CE2-CD2 3.59Å; Y6-F19 HydrophobicContact CE2-CE2 4.47Å; Y6-F19 HydrophobicContact CE2-CG 4.12Å; Y6-F19 HydrophobicContact CG-CB 3.81Å; Y6-F19 HydrophobicContact CG-CD1 4.46Å; Y6-F19 AromaticContact CG-CD2 3.74Å; Y6-F19 HydrophobicContact CG-CD2 3.74Å; Y6-F19 HydrophobicContact CG-CE2 4.35Å; Y6-F19 AromaticContact CG-CG 3.78Å; Y6-F19 HydrophobicContact CG-CG 3.78Å; I15-F19 HydrophobicContact CG2-CD2 3.87Å; I15-F19 HydrophobicContact CG2-CE2 3.35Å; I15-F19 HydrophobicContact CG2-CZ 4.16Å; I15-F19 WeakPolarHBondContact O-CD2 3.47Å; I15-F19 PolarHBondContact O-N 3.44Å; T16-F19 PolarHBondContact O-N 3.17Å; T16-F19 VanDerWaalsContact O-N 3.08Å; F19-A21 PolarHBondContact O-N 2.66Å; F19-R22 WeakPolarHBondContact O-CB 3.44Å; F19-R22 PolarHBondContact O-N 3.01Å; F19-R22 VanDerWaalsContact O-N 3.09Å; F19-G23 PolarHBondContact O-N 3.17Å; F19-W24 HydrophobicContact CB-CE3 4.44Å; F19-W24 AromaticContact CD1-CE3 3.43Å; F19-W24 HydrophobicContact CD1-CE3 3.43Å; F19-W24 VanDerWaalsContact CD1-CE3 3.43Å; F19-W24 AromaticContact CD1-CZ3 3.49Å; F19-W24 HydrophobicContact CD1-CZ3 3.49Å; F19-W24 VanDerWaalsContact CD1-CZ3 3.49Å; F19-W24 HydrophobicContact CE1-CE3 4.01Å; F19-W24 AromaticContact CE1-CZ3 3.64Å; F19-W24 HydrophobicContact CE1-CZ3 3.64Å; F19-W24 HydrophobicContact CG-CE3 4.28Å; F19-W24 PolarHBondContact O-N 3.04Å; F19-I35 HydrophobicContact CE1-CD1 3.91Å; F19-I35 HydrophobicContact CE1-CG2 4.22Å; F19-I35 HydrophobicContact CZ-CD1 4.02Å; F19-I35 HydrophobicContact CZ-CG1 4.41Å; F19-I35 HydrophobicContact CZ-CG2 4.42Å; F19-W37 HydrophobicContact CE2-CB 4.05Å; F19-W37 HydrophobicContact CZ-CB 4.15Å; F19-W37 AromaticContact CZ-CE3 3.9Å; F19-W37 HydrophobicContact CZ-CE3 3.9Å; F19-I352 HydrophobicContact CD1-CD1 3.83Å; F19-I352 HydrophobicContact CE1-CD1 3.47Å; F19-I352 VanDerWaalsContact CE1-CD1 3.47Å; F19-I352 HydrophobicContact CE1-CG1 3.99Å; F19-I352 HydrophobicContact CZ-CD1 4.22Å
20E92.6Very high91.8Very high112 Ų11259.5 Ų59.552%0.52333%0.332SS..Hα-helixtrans-61.2-42.5176.9-70.8169.4-170.500112T16 R22 G23T16-E20 WeakPolarHBondContact O-CG 3.24Å; T16-E20 PolarHBondContact O-N 3.33Å; E20-R22 PolarHBondContact O-N 3.16Å; E20-R22 VanDerWaalsContact O-N 3.11Å; E20-G23 PolarHBondContact O-N 3.38Å
21A92.9Very high91.9Very high73 Ų7363.2 Ų63.260%0.60335%0.347SS*.THydrogen-bonded Turntrans-61.4-20.3176.600000113.4N17 F19N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.08Å; F19-A21 PolarHBondContact O-N 2.66Å
22R92.3Very high92.3Very high59 Ų5958.6 Ų58.622%0.22333%0.328CS..THydrogen-bonded Turntrans-90.3-3.1174.9-67.6168.5168.169.35113.1N18 F19 E20 W24 N349 N353N18-R22 WeakPolarHBondContact O-CD 3.46Å; N18-R22 WeakPolarHBondContact O-CG 3.44Å; N18-R22 PolarHBondContact O-NH1 3.48Å; N18-R22 PolarHBondContact OD1-NH1 3.26Å; F19-R22 WeakPolarHBondContact O-CB 3.44Å; F19-R22 PolarHBondContact O-N 3.01Å; F19-R22 VanDerWaalsContact O-N 3.09Å; E20-R22 PolarHBondContact O-N 3.16Å; E20-R22 VanDerWaalsContact O-N 3.11Å; R22-W24 VanDerWaalsContact C-N 3.28Å; R22-W24 HydrophobicContact CB-CD2 4.09Å; R22-W24 HydrophobicContact CB-CG 4.02Å; R22-W24 PolarHBondContact O-N 2.86Å; R22-N349 PolarHBondContact NH1-OD1 3.16Å; R22-N349 PolarHBondContact NH2-O 3.1Å; R22-N349 PolarHBondContact NH2-OD1 3.34Å; R22-N353 PolarHBondContact NH2-OD1 3.35Å
23G92.4Very high92.7Very high42 Ų4254.9 Ų54.943%0.43331%0.312SS..THydrogen-bonded Turntrans6826-177.100000113.6F19 E20F19-G23 PolarHBondContact O-N 3.17Å; E20-G23 PolarHBondContact O-N 3.38Å
24W93.4Very high92.9Very high25 Ų2551.7 Ų51.710%0.09529%0.289CS..PPolyproline II helixtrans-79.3150.6176.9-64.7-1.4000110.8I4 Y6 F19 R22 I35 I352 V356I4-W24 HydrophobicContact CB-CD2 3.86Å; I4-W24 HydrophobicContact CB-CE3 4.48Å; I4-W24 HydrophobicContact CB-CG 3.85Å; I4-W24 HydrophobicContact CD1-CD2 4.36Å; I4-W24 HydrophobicContact CD1-CH2 4.22Å; I4-W24 HydrophobicContact CD1-CZ2 3.5Å; I4-W24 HydrophobicContact CG2-CD2 3.55Å; I4-W24 HydrophobicContact CG2-CE3 3.67Å; I4-W24 HydrophobicContact CG2-CG 3.96Å; I4-W24 HydrophobicContact CG2-CH2 4.38Å; I4-W24 HydrophobicContact CG2-CZ2 4.29Å; I4-W24 HydrophobicContact CG2-CZ3 4.1Å; I4-W24 WeakPolarHBondContact O-CA 3.3Å; I4-W24 WeakPolarHBondContact O-CB 3.35Å; Y6-W24 HydrophobicContact CD1-CB 3.81Å; Y6-W24 HydrophobicContact CE1-CB 4.34Å; F19-W24 HydrophobicContact CB-CE3 4.44Å; F19-W24 AromaticContact CD1-CE3 3.43Å; F19-W24 HydrophobicContact CD1-CE3 3.43Å; F19-W24 VanDerWaalsContact CD1-CE3 3.43Å; F19-W24 AromaticContact CD1-CZ3 3.49Å; F19-W24 HydrophobicContact CD1-CZ3 3.49Å; F19-W24 VanDerWaalsContact CD1-CZ3 3.49Å; F19-W24 HydrophobicContact CE1-CE3 4.01Å; F19-W24 AromaticContact CE1-CZ3 3.64Å; F19-W24 HydrophobicContact CE1-CZ3 3.64Å; F19-W24 HydrophobicContact CG-CE3 4.28Å; F19-W24 PolarHBondContact O-N 3.04Å; R22-W24 VanDerWaalsContact C-N 3.28Å; R22-W24 HydrophobicContact CB-CD2 4.09Å; R22-W24 HydrophobicContact CB-CG 4.02Å; R22-W24 PolarHBondContact O-N 2.86Å; W24-I35 HydrophobicContact CE3-CG2 4.14Å; W24-I35 HydrophobicContact CZ3-CG2 3.87Å; W24-I352 HydrophobicContact CH2-CG2 3.43Å; W24-I352 VanDerWaalsContact CH2-CG2 3.43Å; W24-I352 HydrophobicContact CZ2-CG2 4.33Å; W24-I352 HydrophobicContact CZ3-CG2 3.9Å; W24-V356 HydrophobicContact CH2-CB 3.94Å; W24-V356 HydrophobicContact CH2-CG1 3.89Å; W24-V356 HydrophobicContact CH2-CG2 4.21Å; W24-V356 HydrophobicContact CZ2-CB 4.48Å; W24-V356 HydrophobicContact CZ2-CG1 4.06Å
25T93.9Very high93.1Very high62 Ų6251.4 Ų51.438%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-88.9126.5-176.9-550000109.9I4 K5 Y6I4-T25 PolarHBondContact O-N 2.79Å; K5-T25 CarbonylContact C-O 3.45Å; K5-T25 VanDerWaalsContact CA-O 3.25Å; K5-T25 WeakPolarHBondContact CA-O 3.47Å; Y6-T25 WeakPolarHBondContact CD1-O 3.49Å; Y6-T25 PolarHBondContact N-O 3.47Å
26V94.8Very high93.3Very high95 Ų9551.9 Ų51.958%0.57629%0.289SS*.EExtended strand (participates in β ladder)trans-73.3137.6171.7660000110.4Y6Y6-V26 HydrophobicContact CE1-CB 3.81Å; Y6-V26 HydrophobicContact CE1-CG2 4.47Å; Y6-V26 HydrophobicContact CE2-CB 4.14Å; Y6-V26 HydrophobicContact CE2-CG2 3.89Å; Y6-V26 WeakPolarHBondContact O-CA 3.49Å
27V95.7Very high93.4Very high21 Ų2151 Ų5113%0.12728%0.283CS..  trans-138.2161.7175.4-64.60000110.8K5 Y6 A7 E31 W33K5-V27 HydrophobicContact CB-CG1 4.1Å; K5-V27 HydrophobicContact CB-CG2 4.06Å; K5-V27 HydrophobicContact CD-CG1 4.15Å; K5-V27 HydrophobicContact CG-CG1 4.25Å; Y6-V27 WeakPolarHBondContact O-CG2 3.47Å; Y6-V27 PolarHBondContact O-N 3.08Å; A7-V27 HydrophobicContact CB-CG2 4.43Å; V27-E31 HydrophobicContact CB-CB 4.21Å; V27-E31 WeakPolarHBondContact CB-OE2 3.47Å; V27-W33 HydrophobicContact CG2-CB 3.66Å
28H93.4Very high93.5Very high103 Ų10347.6 Ų47.648%0.47726%0.264SS..  trans-69.9148.5173.8-163.9-99.4000111D30 E31H28-D30 IonicContact CE1-OD2 3.04Å; H28-D30 PolarHBondContact CE1-OD2 3.15Å; H28-D30 PolarHBondContact ND1-N 3.21Å; H28-D30 IonicContact ND1-OD2 2.73Å; H28-D30 PolarHBondContact ND1-OD2 3.14Å; H28-D30 VanDerWaalsContact ND1-OD2 3.14Å; H28-D30 PolarHBondContact O-N 2.87Å; H28-D30 VanDerWaalsContact O-N 3.09Å; H28-E31 HydrophobicContact CB-CG 4.05Å; H28-E31 WeakPolarHBondContact O-CB 3.37Å; H28-E31 PolarHBondContact O-N 2.88Å
29P90.6Very high93.4Very high36 Ų3649.2 Ų49.223%0.23428%0.275CS..THydrogen-bonded Turntrans-56.5-22.9175.7-28.736.3000115.6A7 W33 F36A7-P29 HydrophobicContact CB-CG 4.32Å; P29-W33 PolarHBondContact O-NE1 3.25Å; P29-F36 HydrophobicContact CB-CE1 4.25Å; P29-F36 HydrophobicContact CB-CE2 4.24Å; P29-F36 HydrophobicContact CB-CZ 3.9Å; P29-F36 HydrophobicContact CG-CE2 4.03Å; P29-F36 HydrophobicContact CG-CZ 4.05Å
30D88.8Confident93.2Very high143 Ų14351.3 Ų51.377%0.76529%0.288SS*.THydrogen-bonded Turntrans-86.1-7.8177-59.1-37.2000113.5H28H28-D30 IonicContact CE1-OD2 3.04Å; H28-D30 PolarHBondContact CE1-OD2 3.15Å; H28-D30 PolarHBondContact ND1-N 3.21Å; H28-D30 IonicContact ND1-OD2 2.73Å; H28-D30 PolarHBondContact ND1-OD2 3.14Å; H28-D30 VanDerWaalsContact ND1-OD2 3.14Å; H28-D30 PolarHBondContact O-N 2.87Å; H28-D30 VanDerWaalsContact O-N 3.09Å
31E91.9Very high93Very high111 Ų11150.8 Ų50.852%0.51929%0.286SS..SBendtrans-90.4178.2176.4-68.9175.8-156.400111.8V27 H28 W33V27-E31 HydrophobicContact CB-CB 4.21Å; V27-E31 WeakPolarHBondContact CB-OE2 3.47Å; H28-E31 HydrophobicContact CB-CG 4.05Å; H28-E31 WeakPolarHBondContact O-CB 3.37Å; H28-E31 PolarHBondContact O-N 2.88Å; E31-W33 PolarHBondContact O-N 3.26Å
32D92.2Very high92.9Very high86 Ų8648.7 Ų48.746%0.4627%0.266SS..  trans-72.2109.2172.1173.149.4000110.5K5K5-D32 WeakPolarHBondContact CD-O 3.35Å; K5-D32 IonicContact NZ-OD2 2.77Å; K5-D32 PolarHBondContact NZ-OD2 3.38Å
33W94.7Very high92.9Very high1 Ų145.9 Ų45.90%0.00426%0.256CS..  trans-120.7157.5177.149.8-99.9000111.2A7 V27 P29 E31 F36 L46 Y53 L55 Q59 V61A7-W33 HydrophobicContact CB-CB 4.13Å; A7-W33 HydrophobicContact CB-CG 4.17Å; V27-W33 HydrophobicContact CG2-CB 3.66Å; P29-W33 PolarHBondContact O-NE1 3.25Å; E31-W33 PolarHBondContact O-N 3.26Å; W33-F36 HydrophobicContact CD2-CB 3.84Å; W33-F36 HydrophobicContact CE3-CB 3.69Å; W33-F36 HydrophobicContact CH2-CB 3.78Å; W33-F36 HydrophobicContact CH2-CD1 4.43Å; W33-F36 HydrophobicContact CZ2-CB 3.98Å; W33-F36 HydrophobicContact CZ2-CD1 4.07Å; W33-F36 HydrophobicContact CZ2-CG 4.48Å; W33-F36 HydrophobicContact CZ3-CB 3.64Å; W33-L46 HydrophobicContact CH2-CD1 4.38Å; W33-L46 HydrophobicContact CZ2-CD1 4.04Å; W33-Y53 HydrophobicContact CZ2-CE1 4.28Å; W33-L55 HydrophobicContact CH2-CD2 3.35Å; W33-L55 HydrophobicContact CZ2-CD2 3.95Å; W33-L55 HydrophobicContact CZ3-CD2 4.26Å; W33-Q59 HydrophobicContact CE3-CB 4.19Å; W33-Q59 HydrophobicContact CE3-CG 4.06Å; W33-Q59 HydrophobicContact CH2-CB 4.07Å; W33-Q59 HydrophobicContact CH2-CG 4.38Å; W33-Q59 HydrophobicContact CZ3-CB 3.58Å; W33-Q59 HydrophobicContact CZ3-CG 3.91Å; W33-Q59 WeakPolarHBondContact O-CG 3.28Å; W33-Q59 PolarHBondContact O-NE2 3.01Å; W33-V61 HydrophobicContact CH2-CG1 3.75Å; W33-V61 HydrophobicContact CZ3-CG1 4.12Å
34N95Very high92.7Very high7 Ų749.8 Ų49.84%0.03726%0.257CS..SBendtrans-104.5-32.4175.2-55.1121.2000112.6I4 K5 N58 Q59 I60 P362I4-N34 HydrophobicContact CG2-CB 4.15Å; K5-N34 PolarHBondContact N-OD1 3.26Å; K5-N34 WeakPolarHBondContact O-CB 3.08Å; K5-N34 PolarHBondContact O-N 2.71Å; N34-N58 WeakPolarHBondContact CA-O 3.42Å; N34-N58 PolarHBondContact ND2-ND2 3.47Å; N34-Q59 CarbonylContact O-C 3.49Å; N34-Q59 WeakPolarHBondContact O-CA 3.26Å; N34-I60 PolarHBondContact O-N 3.19Å; N34-P362 HydrophobicContact CB-CG 4.4Å
35I95.3Very high92.5Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-130.3126.9173.2-178168.1000109.4I4 K5 Y6 A7 F19 W24 I60 F307 V356I4-I35 HydrophobicContact CG2-CG2 4.43Å; K5-I35 PolarHBondContact O-N 2.98Å; Y6-I35 CarbonylContact C-O 3.51Å; Y6-I35 VanDerWaalsContact CA-O 3.26Å; Y6-I35 WeakPolarHBondContact CA-O 3.47Å; A7-I35 PolarHBondContact N-O 3.5Å; F19-I35 HydrophobicContact CE1-CD1 3.91Å; F19-I35 HydrophobicContact CE1-CG2 4.22Å; F19-I35 HydrophobicContact CZ-CD1 4.02Å; F19-I35 HydrophobicContact CZ-CG1 4.41Å; F19-I35 HydrophobicContact CZ-CG2 4.42Å; W24-I35 HydrophobicContact CE3-CG2 4.14Å; W24-I35 HydrophobicContact CZ3-CG2 3.87Å; I35-I60 WeakPolarHBondContact CA-O 3.39Å; I35-I60 HydrophobicContact CB-CD1 4.44Å; I35-I60 HydrophobicContact CB-CG1 3.98Å; I35-I60 HydrophobicContact CD1-CD1 3.99Å; I35-I60 HydrophobicContact CD1-CG1 4.3Å; I35-I60 HydrophobicContact CG1-CD1 4.18Å; I35-I60 HydrophobicContact CG1-CG1 3.93Å; I35-F307 HydrophobicContact CD1-CZ 4.49Å; I35-V356 HydrophobicContact CD1-CG2 4.25Å
36F95.5Very high92.3Very high9 Ų952 Ų524%0.03927%0.266CS..EExtended strand (participates in β ladder)trans-114.2107.2172-179-160000109.2A7 D9 P29 W33 A38 L46 I60 V61 N62A7-F36 HydrophobicContact CB-CB 4.35Å; A7-F36 HydrophobicContact CB-CD2 3.72Å; A7-F36 HydrophobicContact CB-CE2 4.32Å; A7-F36 HydrophobicContact CB-CG 4.21Å; A7-F36 WeakPolarHBondContact O-CA 3.47Å; A7-F36 WeakPolarHBondContact O-CD2 3.43Å; D9-F36 HydrophobicContact CB-CE2 4.35Å; D9-F36 HydrophobicContact CB-CZ 4.49Å; P29-F36 HydrophobicContact CB-CE1 4.25Å; P29-F36 HydrophobicContact CB-CE2 4.24Å; P29-F36 HydrophobicContact CB-CZ 3.9Å; P29-F36 HydrophobicContact CG-CE2 4.03Å; P29-F36 HydrophobicContact CG-CZ 4.05Å; W33-F36 HydrophobicContact CD2-CB 3.84Å; W33-F36 HydrophobicContact CE3-CB 3.69Å; W33-F36 HydrophobicContact CH2-CB 3.78Å; W33-F36 HydrophobicContact CH2-CD1 4.43Å; W33-F36 HydrophobicContact CZ2-CB 3.98Å; W33-F36 HydrophobicContact CZ2-CD1 4.07Å; W33-F36 HydrophobicContact CZ2-CG 4.48Å; W33-F36 HydrophobicContact CZ3-CB 3.64Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 HydrophobicContact CD1-CB 3.82Å; F36-A38 HydrophobicContact CD2-CB 3.95Å; F36-A38 HydrophobicContact CE1-CB 3.65Å; F36-A38 HydrophobicContact CE2-CB 3.8Å; F36-A38 HydrophobicContact CG-CB 3.96Å; F36-A38 HydrophobicContact CZ-CB 3.64Å; F36-A38 PolarHBondContact O-N 2.82Å; F36-A38 VanDerWaalsContact O-N 3.11Å; F36-L46 HydrophobicContact CD1-CD1 4.17Å; F36-L46 HydrophobicContact CE1-CD1 4.43Å; F36-I60 PolarHBondContact N-O 2.84Å; F36-V61 HydrophobicContact CB-CG1 4.27Å; F36-N62 PolarHBondContact O-OD1 3.39Å
37W95.4Very high92Very high15 Ų1549.8 Ų49.86%0.05725%0.249CC..EExtended strand (participates in β ladder)trans-82.285.3169.3-161.4-60.2000108.9A7 T8 I15 F19 N62 L333 V348 V351 I352A7-W37 PolarHBondContact O-N 3.07Å; T8-W37 WeakPolarHBondContact CA-O 3.32Å; T8-W37 WeakPolarHBondContact CB-O 3.47Å; T8-W37 PolarHBondContact OG1-O 2.99Å; I15-W37 HydrophobicContact CD1-CD2 4.21Å; I15-W37 HydrophobicContact CD1-CG 4.06Å; I15-W37 HydrophobicContact CD1-CZ2 4.46Å; I15-W37 VanDerWaalsContact CD1-NE1 3.35Å; I15-W37 HydrophobicContact CG1-CD2 4.35Å; I15-W37 HydrophobicContact CG1-CZ2 4.42Å; I15-W37 HydrophobicContact CG2-CB 4.07Å; I15-W37 HydrophobicContact CG2-CD2 3.94Å; I15-W37 HydrophobicContact CG2-CE3 4.29Å; I15-W37 HydrophobicContact CG2-CG 3.83Å; F19-W37 HydrophobicContact CE2-CB 4.05Å; F19-W37 HydrophobicContact CZ-CB 4.15Å; F19-W37 AromaticContact CZ-CE3 3.9Å; F19-W37 HydrophobicContact CZ-CE3 3.9Å; W37-N62 WeakPolarHBondContact CA-OD1 3.31Å; W37-N62 HydrophobicContact CD2-CB 4.24Å; W37-N62 HydrophobicContact CG-CB 4.45Å; W37-N62 PolarHBondContact NE1-ND2 3.25Å; W37-L333 HydrophobicContact CZ2-CD1 4.29Å; W37-V348 HydrophobicContact CH2-CG1 3.94Å; W37-V348 HydrophobicContact CH2-CG2 4.18Å; W37-V348 HydrophobicContact CZ3-CG1 3.96Å; W37-V351 HydrophobicContact CH2-CG1 4.35Å; W37-V351 HydrophobicContact CZ3-CG1 4.42Å; W37-I352 HydrophobicContact CZ3-CG1 4.26Å
38A94Very high91.5Very high0 Ų052.2 Ų52.20%026%0.261CS..  trans-91.6153.8-171.900000112.9D9 F36 I43 N62 H63D9-A38 VanDerWaalsContact OD1-C 3.24Å; D9-A38 WeakPolarHBondContact OD1-CA 3.41Å; F36-A38 VanDerWaalsContact C-N 3.31Å; F36-A38 HydrophobicContact CD1-CB 3.82Å; F36-A38 HydrophobicContact CD2-CB 3.95Å; F36-A38 HydrophobicContact CE1-CB 3.65Å; F36-A38 HydrophobicContact CE2-CB 3.8Å; F36-A38 HydrophobicContact CG-CB 3.96Å; F36-A38 HydrophobicContact CZ-CB 3.64Å; F36-A38 PolarHBondContact O-N 2.82Å; F36-A38 VanDerWaalsContact O-N 3.11Å; A38-I43 HydrophobicContact CB-CD1 3.72Å; A38-I43 HydrophobicContact CB-CG1 3.67Å; A38-N62 PolarHBondContact N-OD1 2.71Å; A38-N62 PolarHBondContact O-ND2 2.99Å; A38-N62 VanDerWaalsContact O-ND2 3.1Å; A38-N62 PolarHBondContact O-OD1 3.23Å; A38-H63 PolarHBondContact O-CD2 3Å; A38-H63 VanDerWaalsContact O-CD2 3.32Å; A38-H63 PolarHBondContact O-NE2 3.01Å
39S92.7Very high90.8Very high33 Ų3354.9 Ų54.923%0.23128%0.279CS..  trans-72.8159.5166.173.30000110.7D9 Q41 S42 I43D9-S39 PolarHBondContact OD1-N 2.9Å; D9-S39 WeakPolarHBondContact OD2-CB 3.43Å; D9-S39 PolarHBondContact OD2-N 3.1Å; D9-S39 PolarHBondContact OD2-OG 3.29Å; S39-Q41 PolarHBondContact O-N 3.23Å; S39-Q41 VanDerWaalsContact O-N 3.13Å; S39-S42 PolarHBondContact O-N 3.47Å; S39-S42 VanDerWaalsContact O-N 3.15Å; S39-S42 PolarHBondContact OG-N 3.38Å; S39-S42 PolarHBondContact OG-OG 3.38Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.91Å
40V89.4Confident90.3Very high44 Ų4460 Ų6027%0.26731%0.305SS..Hα-helixtrans-54.2-33.4174.1166.30000112.1R44V40-R44 WeakPolarHBondContact O-CG 3.02Å; V40-R44 PolarHBondContact O-N 2.88Å
41Q88.8Confident89.6Confident102 Ų10256 Ų5648%0.47729%0.285SS..Hα-helixtrans-71.5-45.3179.8-174.959.726.900111.5S39 I43 R44 M45S39-Q41 PolarHBondContact O-N 3.23Å; S39-Q41 VanDerWaalsContact O-N 3.13Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 3.26Å; Q41-R44 WeakPolarHBondContact O-CB 3.29Å; Q41-R44 PolarHBondContact O-N 2.94Å; Q41-M45 HydrophobicContact CG-CE 4.44Å; Q41-M45 PolarHBondContact O-N 3.4Å; Q41-M45 VanDerWaalsContact O-N 3.12Å
42S91.6Very high88.8Confident28 Ų2856.4 Ų56.420%0.19630%0.301CS..Hα-helixtrans-65.4-36.4178.9-64.60000112.1D9 S39 R44 M45 L46D9-S42 WeakPolarHBondContact OD2-CB 3.42Å; D9-S42 PolarHBondContact OD2-OG 2.85Å; S39-S42 PolarHBondContact O-N 3.47Å; S39-S42 VanDerWaalsContact O-N 3.15Å; S39-S42 PolarHBondContact OG-N 3.38Å; S39-S42 PolarHBondContact OG-OG 3.38Å; S42-R44 PolarHBondContact O-N 3.42Å; S42-M45 PolarHBondContact O-N 3.04Å; S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 PolarHBondContact O-N 2.8Å
43I91.5Very high88.3Confident0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-63.5-41.9174.3-67.1-77.1000111.4A38 S39 Q41 M45 L46 F47 V61 H63A38-I43 HydrophobicContact CB-CD1 3.72Å; A38-I43 HydrophobicContact CB-CG1 3.67Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.91Å; Q41-I43 VanDerWaalsContact C-N 3.32Å; Q41-I43 PolarHBondContact O-N 3.26Å; I43-M45 VanDerWaalsContact C-N 3.26Å; I43-M45 PolarHBondContact O-N 2.84Å; I43-L46 PolarHBondContact O-N 2.66Å; I43-F47 HydrophobicContact CG2-CD2 3.89Å; I43-F47 HydrophobicContact CG2-CE2 4.17Å; I43-F47 WeakPolarHBondContact O-CD2 3.38Å; I43-F47 PolarHBondContact O-N 3.38Å; I43-V61 HydrophobicContact CD1-CB 3.74Å; I43-V61 HydrophobicContact CD1-CG1 4.29Å; I43-V61 HydrophobicContact CD1-CG2 4.02Å; I43-H63 HydrophobicContact CB-CB 4.18Å; I43-H63 HydrophobicContact CD1-CB 3.96Å; I43-H63 HydrophobicContact CG1-CB 3.7Å; I43-H63 HydrophobicContact CG2-CB 3.81Å
44R88.5Confident87.9Confident124 Ų12467.7 Ų67.747%0.46834%0.338SS..Hα-helixtrans-61.8-36.7175.4-74.6173.8179.2-176.10.8112.2V40 Q41 S42 N48V40-R44 WeakPolarHBondContact O-CG 3.02Å; V40-R44 PolarHBondContact O-N 2.88Å; Q41-R44 WeakPolarHBondContact O-CB 3.29Å; Q41-R44 PolarHBondContact O-N 2.94Å; S42-R44 PolarHBondContact O-N 3.42Å; R44-N48 PolarHBondContact O-N 2.9Å
45M88.9Confident87.7Confident110 Ų11068.5 Ų68.554%0.54234%0.342SS..Hα-helixtrans-69.9-44.1175.4-71.2171164.100111.2Q41 S42 I43 F47 N48 T51Q41-M45 HydrophobicContact CG-CE 4.44Å; Q41-M45 PolarHBondContact O-N 3.4Å; Q41-M45 VanDerWaalsContact O-N 3.12Å; S42-M45 PolarHBondContact O-N 3.04Å; I43-M45 VanDerWaalsContact C-N 3.26Å; I43-M45 PolarHBondContact O-N 2.84Å; M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 PolarHBondContact O-N 3.07Å; M45-N48 VanDerWaalsContact O-CB 3.32Å; M45-N48 WeakPolarHBondContact O-CB 3.15Å; M45-N48 PolarHBondContact O-N 3.33Å; M45-N48 VanDerWaalsContact O-N 3.11Å; M45-T51 PolarHBondContact O-OG1 2.82Å; M45-T51 VanDerWaalsContact O-OG1 3.05Å
46L89.8Confident87.6Confident23 Ų2371.6 Ų71.612%0.1236%0.363CS..Hα-helixtrans-65.1-33.6-176.8-170.5143.1000113.3W33 F36 S42 I43 Y53 L55W33-L46 HydrophobicContact CH2-CD1 4.38Å; W33-L46 HydrophobicContact CZ2-CD1 4.04Å; F36-L46 HydrophobicContact CD1-CD1 4.17Å; F36-L46 HydrophobicContact CE1-CD1 4.43Å; S42-L46 WeakPolarHBondContact O-CB 3.35Å; S42-L46 PolarHBondContact O-N 2.8Å; I43-L46 PolarHBondContact O-N 2.66Å; L46-Y53 HydrophobicContact CD1-CD1 4.38Å; L46-Y53 HydrophobicContact CD1-CE1 4.15Å; L46-Y53 HydrophobicContact CG-CD1 4.06Å; L46-Y53 HydrophobicContact CG-CE1 4.31Å; L46-L55 HydrophobicContact CD1-CD2 4.44Å; L46-L55 HydrophobicContact CD2-CD1 3.88Å; L46-L55 HydrophobicContact CD2-CD2 4.01Å; L46-L55 HydrophobicContact CD2-CG 4.02Å
47F88.6Confident87.4Confident50 Ų5074.6 Ų74.622%0.21938%0.38CS..THydrogen-bonded Turntrans-98.913.1174.9-69.6-80.2000113.4I43 M45 N49 L55 V61 P65 D303 C306I43-F47 HydrophobicContact CG2-CD2 3.89Å; I43-F47 HydrophobicContact CG2-CE2 4.17Å; I43-F47 WeakPolarHBondContact O-CD2 3.38Å; I43-F47 PolarHBondContact O-N 3.38Å; M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 PolarHBondContact O-N 3.07Å; F47-N49 PolarHBondContact O-N 2.7Å; F47-L55 HydrophobicContact CE1-CD1 4.16Å; F47-L55 HydrophobicContact CZ-CD1 3.74Å; F47-V61 HydrophobicContact CE2-CG2 4.05Å; F47-V61 HydrophobicContact CZ-CG2 4.16Å; F47-P65 HydrophobicContact CB-CB 4.06Å; F47-P65 HydrophobicContact CB-CG 4.22Å; F47-P65 HydrophobicContact CD1-CB 4.47Å; F47-P65 HydrophobicContact CD1-CG 3.73Å; F47-P65 HydrophobicContact CD2-CB 4.17Å; F47-P65 HydrophobicContact CD2-CG 3.75Å; F47-P65 HydrophobicContact CE1-CG 3.94Å; F47-P65 HydrophobicContact CE2-CG 3.95Å; F47-P65 HydrophobicContact CG-CB 3.99Å; F47-P65 HydrophobicContact CG-CG 3.63Å; F47-P65 HydrophobicContact CZ-CG 4.05Å; F47-D303 HydrophobicContact CE1-CB 4.45Å; F47-C306 VanDerWaalsContact CZ-SG 3.51Å
48N85.9Confident87.3Confident71 Ų7176.2 Ų76.238%0.3839%0.389SS..  trans-69.4134.4175-170.27.1000109.3R44 M45 D50 T51R44-N48 PolarHBondContact O-N 2.9Å; M45-N48 VanDerWaalsContact O-CB 3.32Å; M45-N48 WeakPolarHBondContact O-CB 3.15Å; M45-N48 PolarHBondContact O-N 3.33Å; M45-N48 VanDerWaalsContact O-N 3.11Å; N48-D50 PolarHBondContact ND2-OD2 2.9Å; N48-D50 PolarHBondContact O-N 3.16Å; N48-D50 VanDerWaalsContact O-N 3.15Å; N48-T51 HydrophobicContact CB-CG2 4.45Å; N48-T51 PolarHBondContact O-N 3.16Å; N48-T51 PolarHBondContact O-OG1 2.91Å
49N77.3Confident87.3Confident159 Ų15976.5 Ų76.585%0.8539%0.391SS*.THydrogen-bonded Turntrans-62.7-23.9-179.9-69.2-21.8000112.8F47 T51F47-N49 PolarHBondContact O-N 2.7Å; N49-T51 VanDerWaalsContact C-N 3.29Å
50D80.3Confident87.5Confident144 Ų14475 Ų7577%0.7738%0.38SS*.THydrogen-bonded Turntrans-73.9-23.2176.9-57.3-36.2000112.4N48N48-D50 PolarHBondContact ND2-OD2 2.9Å; N48-D50 PolarHBondContact O-N 3.16Å; N48-D50 VanDerWaalsContact O-N 3.15Å
51T73.6Confident87.8Confident58 Ų5873 Ų7336%0.35637%0.368SS..SBendtrans-85.1117.2172.955.20000108.6M45 N48 N49 Y53M45-T51 PolarHBondContact O-OG1 2.82Å; M45-T51 VanDerWaalsContact O-OG1 3.05Å; N48-T51 HydrophobicContact CB-CG2 4.45Å; N48-T51 PolarHBondContact O-N 3.16Å; N48-T51 PolarHBondContact O-OG1 2.91Å; N49-T51 VanDerWaalsContact C-N 3.29Å; T51-Y53 PolarHBondContact O-N 3.37Å
52S75.5Confident88.1Confident120 Ų12068.3 Ų68.384%0.83935%0.346SS*.  trans-70.913.4175.652.50000113.6R54S52-R54 PolarHBondContact O-N 3.26Å
53Y82.4Confident88.2Confident105 Ų10567 Ų6741%0.41234%0.337SS..  trans-74.5124.6-176.5-165.2-97.2000110.1W33 L46 T51 L55 Q59W33-Y53 HydrophobicContact CZ2-CE1 4.28Å; L46-Y53 HydrophobicContact CD1-CD1 4.38Å; L46-Y53 HydrophobicContact CD1-CE1 4.15Å; L46-Y53 HydrophobicContact CG-CD1 4.06Å; L46-Y53 HydrophobicContact CG-CE1 4.31Å; T51-Y53 PolarHBondContact O-N 3.37Å; Y53-L55 HydrophobicContact CE1-CD2 3.84Å; Y53-Q59 PolarHBondContact OH-NE2 3.46Å
54R86.1Confident88.4Confident220 Ų22067 Ų6783%0.8334%0.337SS*.  trans-119.5129.6174.3-71.3-169.8173.1104.1-0.1108.9S52S52-R54 PolarHBondContact O-N 3.26Å
55L91.5Very high88.6Confident24 Ų2462 Ų6213%0.12632%0.32CS..  trans-66.3135.8175-67171.1000110.3W33 L46 F47 Y53 Q59 V61 H305W33-L55 HydrophobicContact CH2-CD2 3.35Å; W33-L55 HydrophobicContact CZ2-CD2 3.95Å; W33-L55 HydrophobicContact CZ3-CD2 4.26Å; L46-L55 HydrophobicContact CD1-CD2 4.44Å; L46-L55 HydrophobicContact CD2-CD1 3.88Å; L46-L55 HydrophobicContact CD2-CD2 4.01Å; L46-L55 HydrophobicContact CD2-CG 4.02Å; F47-L55 HydrophobicContact CE1-CD1 4.16Å; F47-L55 HydrophobicContact CZ-CD1 3.74Å; Y53-L55 HydrophobicContact CE1-CD2 3.84Å; L55-Q59 HydrophobicContact CB-CB 4.44Å; L55-Q59 HydrophobicContact CD2-CB 4.02Å; L55-V61 HydrophobicContact CD1-CG1 4.45Å; L55-V61 HydrophobicContact CD1-CG2 4.38Å; L55-H305 HydrophobicContact CB-CB 4.38Å; L55-H305 HydrophobicContact CD1-CB 3.59Å
56S92.3Very high88.8Confident64 Ų6457.5 Ų57.545%0.44830%0.299SS..  trans-81.5158173.1-63.40000110.5N58 Q59 H305S56-N58 WeakPolarHBondContact CB-OD1 3.44Å; S56-N58 PolarHBondContact O-N 3.42Å; S56-Q59 WeakPolarHBondContact O-CB 3.17Å; S56-Q59 PolarHBondContact O-N 3Å; S56-H305 PolarHBondContact O-CD2 2.73Å; S56-H305 VanDerWaalsContact O-CD2 3.27Å; S56-H305 PolarHBondContact O-NE2 3.32Å
57D91.9Very high88.9Confident72 Ų7256.7 Ų56.739%0.38529%0.294SS..THydrogen-bonded Turntrans-57.8-20-176.9-66.9-36.7000113.8D363 V364 K365D57-D363 WeakPolarHBondContact O-CA 2.94Å; D57-V364 HydrophobicContact CB-CG2 4.02Å; D57-V364 PolarHBondContact O-N 3.47Å; D57-K365 VanDerWaalsContact OD1-CE 3.31Å; D57-K365 WeakPolarHBondContact OD1-CE 3.35Å; D57-K365 IonicContact OD1-NZ 3.43Å; D57-K365 WeakPolarHBondContact OD2-CE 3.39Å; D57-K365 IonicContact OD2-NZ 2.76Å; D57-K365 PolarHBondContact OD2-NZ 2.85Å
58N93.1Very high89.1Confident49 Ų4957.2 Ų57.226%0.26230%0.296SS..THydrogen-bonded Turntrans-94.77.8179.569.5-28.4000115.1N34 S56 V361 P362N34-N58 WeakPolarHBondContact CA-O 3.42Å; N34-N58 PolarHBondContact ND2-ND2 3.47Å; S56-N58 WeakPolarHBondContact CB-OD1 3.44Å; S56-N58 PolarHBondContact O-N 3.42Å; N58-V361 HydrophobicContact CB-CG1 3.65Å; N58-P362 VanDerWaalsContact CA-O 3.22Å; N58-P362 WeakPolarHBondContact CA-O 3.42Å
59Q94.6Very high89.6Confident7 Ų755.6 Ų55.63%0.03329%0.287CS..  trans-109.3138.9-177.3-67.5-172.9-57.700111.3W33 N34 Y53 L55 S56 H305W33-Q59 HydrophobicContact CE3-CB 4.19Å; W33-Q59 HydrophobicContact CE3-CG 4.06Å; W33-Q59 HydrophobicContact CH2-CB 4.07Å; W33-Q59 HydrophobicContact CH2-CG 4.38Å; W33-Q59 HydrophobicContact CZ3-CB 3.58Å; W33-Q59 HydrophobicContact CZ3-CG 3.91Å; W33-Q59 WeakPolarHBondContact O-CG 3.28Å; W33-Q59 PolarHBondContact O-NE2 3.01Å; N34-Q59 CarbonylContact O-C 3.49Å; N34-Q59 WeakPolarHBondContact O-CA 3.26Å; Y53-Q59 PolarHBondContact OH-NE2 3.46Å; L55-Q59 HydrophobicContact CB-CB 4.44Å; L55-Q59 HydrophobicContact CD2-CB 4.02Å; S56-Q59 WeakPolarHBondContact O-CB 3.17Å; S56-Q59 PolarHBondContact O-N 3Å; Q59-H305 WeakPolarHBondContact O-CB 3.21Å; Q59-H305 PolarHBondContact O-CD2 3.45Å
60I95.2Very high90.4Very high2 Ų248.1 Ų48.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-13815217261.3167.3000112.2N34 I35 F36 H305 F307 V355 V356 P362 V364N34-I60 PolarHBondContact O-N 3.19Å; I35-I60 WeakPolarHBondContact CA-O 3.39Å; I35-I60 HydrophobicContact CB-CD1 4.44Å; I35-I60 HydrophobicContact CB-CG1 3.98Å; I35-I60 HydrophobicContact CD1-CD1 3.99Å; I35-I60 HydrophobicContact CD1-CG1 4.3Å; I35-I60 HydrophobicContact CG1-CD1 4.18Å; I35-I60 HydrophobicContact CG1-CG1 3.93Å; F36-I60 PolarHBondContact N-O 2.84Å; I60-H305 CarbonylContact C-O 3.51Å; I60-H305 WeakPolarHBondContact CA-O 3.39Å; I60-H305 WeakPolarHBondContact CB-O 3.49Å; I60-F307 HydrophobicContact CD1-CD1 4.44Å; I60-F307 HydrophobicContact CD1-CE1 3.97Å; I60-F307 HydrophobicContact CG1-CE1 4.39Å; I60-V355 HydrophobicContact CD1-CB 4.13Å; I60-V355 HydrophobicContact CD1-CG2 4.06Å; I60-V356 HydrophobicContact CD1-CG2 3.33Å; I60-V356 HydrophobicContact CG1-CG2 4.46Å; I60-P362 HydrophobicContact CD1-CB 4.47Å; I60-P362 HydrophobicContact CD1-CG 4.13Å; I60-P362 HydrophobicContact CG1-CB 4.39Å; I60-P362 HydrophobicContact CG1-CG 4.04Å; I60-P362 HydrophobicContact CG2-CB 3.88Å; I60-P362 HydrophobicContact CG2-CG 4.44Å; I60-V364 HydrophobicContact CG2-CG1 4.19Å
61V95.6Very high91Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-135.6149.6-176.7-62.70000111.6W33 F36 I43 F47 L55 H63 H305 C306 F307W33-V61 HydrophobicContact CH2-CG1 3.75Å; W33-V61 HydrophobicContact CZ3-CG1 4.12Å; F36-V61 HydrophobicContact CB-CG1 4.27Å; I43-V61 HydrophobicContact CD1-CB 3.74Å; I43-V61 HydrophobicContact CD1-CG1 4.29Å; I43-V61 HydrophobicContact CD1-CG2 4.02Å; F47-V61 HydrophobicContact CE2-CG2 4.05Å; F47-V61 HydrophobicContact CZ-CG2 4.16Å; L55-V61 HydrophobicContact CD1-CG1 4.45Å; L55-V61 HydrophobicContact CD1-CG2 4.38Å; V61-H63 PolarHBondContact O-N 2.85Å; V61-H305 PolarHBondContact N-O 3.43Å; V61-C306 HydrophobicContact CG2-CB 4.42Å; V61-C306 VanDerWaalsContact CG2-SG 3.51Å; V61-C306 WeakPolarHBondContact O-CA 3.48Å; V61-F307 WeakPolarHBondContact O-CD1 3.14Å; V61-F307 WeakPolarHBondContact O-CE1 3.39Å; V61-F307 PolarHBondContact O-N 3.35Å
62N95.1Very high91.9Very high5 Ų544.4 Ų44.43%0.02722%0.219CC..SBendtrans-90.220.7-169.768-57.1000115.4F36 W37 A38 F307F36-N62 PolarHBondContact O-OD1 3.39Å; W37-N62 WeakPolarHBondContact CA-OD1 3.31Å; W37-N62 HydrophobicContact CD2-CB 4.24Å; W37-N62 HydrophobicContact CG-CB 4.45Å; W37-N62 PolarHBondContact NE1-ND2 3.25Å; A38-N62 PolarHBondContact N-OD1 2.71Å; A38-N62 PolarHBondContact O-ND2 2.99Å; A38-N62 VanDerWaalsContact O-ND2 3.1Å; A38-N62 PolarHBondContact O-OD1 3.23Å; N62-F307 CarbonylContact C-O 3.31Å; N62-F307 VanDerWaalsContact CA-O 3.25Å; N62-F307 WeakPolarHBondContact CA-O 3.23Å; N62-F307 HydrophobicContact CB-CD2 4.46Å; N62-F307 HydrophobicContact CB-CE1 4.26Å; N62-F307 HydrophobicContact CB-CE2 3.71Å; N62-F307 HydrophobicContact CB-CZ 3.59Å; N62-F307 VanDerWaalsContact O-O 3.06Å
63H95.4Very high92.6Very high0 Ų039.5 Ų39.50%018%0.182CC..SBendtrans-148.7145.8177.4-76.2-71.5000112.4A38 I43 V61 C306 F307 E308 S330A38-H63 PolarHBondContact O-CD2 3Å; A38-H63 VanDerWaalsContact O-CD2 3.32Å; A38-H63 PolarHBondContact O-NE2 3.01Å; I43-H63 HydrophobicContact CB-CB 4.18Å; I43-H63 HydrophobicContact CD1-CB 3.96Å; I43-H63 HydrophobicContact CG1-CB 3.7Å; I43-H63 HydrophobicContact CG2-CB 3.81Å; V61-H63 PolarHBondContact O-N 2.85Å; H63-C306 PolarHBondContact O-SG 3.02Å; H63-F307 PolarHBondContact N-O 2.88Å; H63-E308 IonicContact CE1-OE1 3.85Å; H63-E308 PolarHBondContact CE1-OE1 2.95Å; H63-E308 IonicContact CG-OE1 2.87Å; H63-E308 IonicContact ND1-OE1 3.82Å; H63-E308 PolarHBondContact ND1-OE1 3.26Å; H63-S330 PolarHBondContact CE1-OG 2.65Å; H63-S330 PolarHBondContact NE2-OG 3.25Å
64F94.6Very high93Very high0 Ų034.8 Ų34.80%016%0.164CC..  trans-81.8144.9164.5-66.6-82.8000111.2N66 H67 V203 F206 M300 C306 E308F64-N66 VanDerWaalsContact C-N 3.35Å; F64-N66 PolarHBondContact O-N 3.43Å; F64-H67 WeakPolarHBondContact O-CB 3.2Å; F64-H67 PolarHBondContact O-N 2.74Å; F64-H67 PolarHBondContact O-ND1 2.84Å; F64-V203 HydrophobicContact CE2-CB 4.33Å; F64-V203 HydrophobicContact CE2-CG1 4.16Å; F64-V203 HydrophobicContact CZ-CG1 4.35Å; F64-F206 HydrophobicContact CD1-CD2 4.09Å; F64-F206 HydrophobicContact CD1-CE2 4.43Å; F64-F206 HydrophobicContact CD2-CD2 4.1Å; F64-F206 AromaticContact CD2-CE2 3.68Å; F64-F206 HydrophobicContact CD2-CE2 3.68Å; F64-F206 AromaticContact CE1-CD2 3.81Å; F64-F206 HydrophobicContact CE1-CD2 3.81Å; F64-F206 HydrophobicContact CE1-CE2 4.36Å; F64-F206 AromaticContact CE2-CD2 3.82Å; F64-F206 HydrophobicContact CE2-CD2 3.82Å; F64-F206 AromaticContact CE2-CE2 3.59Å; F64-F206 HydrophobicContact CE2-CE2 3.59Å; F64-F206 HydrophobicContact CG-CD2 4.24Å; F64-F206 HydrophobicContact CG-CE2 4.12Å; F64-F206 AromaticContact CZ-CD2 3.67Å; F64-F206 HydrophobicContact CZ-CD2 3.67Å; F64-F206 AromaticContact CZ-CE2 3.96Å; F64-F206 HydrophobicContact CZ-CE2 3.96Å; F64-M300 HydrophobicContact CB-CE 3.33Å; F64-M300 HydrophobicContact CG-CE 4.2Å; F64-C306 HydrophobicContact CD1-CB 3.54Å; F64-C306 HydrophobicContact CE1-CB 3.61Å; F64-C306 HydrophobicContact CG-CB 4.11Å; F64-C306 HydrophobicContact CZ-CB 4.25Å; F64-E308 HydrophobicContact CD2-CB 3.61Å; F64-E308 HydrophobicContact CE2-CB 3.8Å; F64-E308 PolarHBondContact N-OE2 3.04Å
65P92.1Very high93.4Very high18 Ų1824.9 Ų24.912%0.11713%0.128CC..THydrogen-bonded Turntrans-57.3-43.1-171.9-26.234.1000113.9F47 I301F47-P65 HydrophobicContact CB-CB 4.06Å; F47-P65 HydrophobicContact CB-CG 4.22Å; F47-P65 HydrophobicContact CD1-CB 4.47Å; F47-P65 HydrophobicContact CD1-CG 3.73Å; F47-P65 HydrophobicContact CD2-CB 4.17Å; F47-P65 HydrophobicContact CD2-CG 3.75Å; F47-P65 HydrophobicContact CE1-CG 3.94Å; F47-P65 HydrophobicContact CE2-CG 3.95Å; F47-P65 HydrophobicContact CG-CB 3.99Å; F47-P65 HydrophobicContact CG-CG 3.63Å; F47-P65 HydrophobicContact CZ-CG 4.05Å; P65-I301 HydrophobicContact CB-CB 4.48Å; P65-I301 HydrophobicContact CB-CD1 4.21Å; P65-I301 HydrophobicContact CG-CB 4.33Å; P65-I301 HydrophobicContact CG-CG2 4.03Å
66N93.4Very high93.6Very high16 Ų1624.1 Ų24.19%0.08612%0.123CC..THydrogen-bonded Turntrans-10731.8-179.765.1-32.8000113.9F64 F68 E69 V299 M300 I301F64-N66 VanDerWaalsContact C-N 3.35Å; F64-N66 PolarHBondContact O-N 3.43Å; N66-F68 HydrophobicContact CB-CE1 3.96Å; N66-F68 HydrophobicContact CB-CE2 4.12Å; N66-F68 HydrophobicContact CB-CZ 3.68Å; N66-F68 PolarHBondContact O-N 3.09Å; N66-E69 HydrophobicContact CB-CG 4.41Å; N66-E69 WeakPolarHBondContact O-CB 3.07Å; N66-E69 WeakPolarHBondContact O-CG 3.5Å; N66-E69 PolarHBondContact O-N 2.8Å; N66-V299 PolarHBondContact ND2-O 3.09Å; N66-M300 HydrophobicContact CB-CE 4.37Å; N66-M300 WeakPolarHBondContact O-CE 3.5Å; N66-M300 WeakPolarHBondContact OD1-CE 3.27Å; N66-I301 HydrophobicContact CB-CD1 4.07Å; N66-I301 HydrophobicContact CB-CG1 4.49Å; N66-I301 VanDerWaalsContact OD1-CB 3.29Å; N66-I301 WeakPolarHBondContact OD1-CB 3.29Å; N66-I301 WeakPolarHBondContact OD1-CG1 3.13Å; N66-I301 PolarHBondContact OD1-N 3.31Å
67H93.2Very high93.7Very high6 Ų621.3 Ų21.33%0.02810%0.104CC..THydrogen-bonded Turntrans-51.3-21.5-178.663.8-88.7000114.3F64 E69 L70 T71 M300 E308 Y310 A329F64-H67 WeakPolarHBondContact O-CB 3.2Å; F64-H67 PolarHBondContact O-N 2.74Å; F64-H67 PolarHBondContact O-ND1 2.84Å; H67-E69 PolarHBondContact O-N 2.93Å; H67-L70 PolarHBondContact O-N 2.86Å; H67-L70 VanDerWaalsContact O-N 3.12Å; H67-T71 WeakPolarHBondContact O-CG2 3.14Å; H67-T71 PolarHBondContact O-N 3.44Å; H67-T71 PolarHBondContact O-OG1 3.06Å; H67-M300 VanDerWaalsContact CA-CE 3.46Å; H67-M300 HydrophobicContact CB-CE 4.37Å; H67-E308 WeakPolarHBondContact CB-OE2 3.39Å; H67-E308 IonicContact CG-OE1 3.82Å; H67-E308 IonicContact CG-OE2 2.64Å; H67-Y310 HydrophobicContact CB-CE1 4.49Å; H67-A329 WeakPolarHBondContact CD2-CB 3.37Å
68F93.1Very high93.8Very high61 Ų6123 Ų2327%0.26811%0.105SC..Hα-helixtrans-58.8-19.717355.7-103.6000114.1N66 L70 T71 R72 L75N66-F68 HydrophobicContact CB-CE1 3.96Å; N66-F68 HydrophobicContact CB-CE2 4.12Å; N66-F68 HydrophobicContact CB-CZ 3.68Å; N66-F68 PolarHBondContact O-N 3.09Å; F68-L70 PolarHBondContact O-N 3.07Å; F68-T71 WeakPolarHBondContact CA-OG1 3.24Å; F68-T71 PolarHBondContact O-N 3.28Å; F68-R72 HydrophobicContact CB-CG 4.02Å; F68-R72 VanDerWaalsContact O-CB 3.27Å; F68-R72 WeakPolarHBondContact O-CB 3.09Å; F68-R72 PolarHBondContact O-N 3.13Å; F68-L75 HydrophobicContact CD2-CD1 3.68Å; F68-L75 HydrophobicContact CE2-CD1 4.35Å
69E95.1Very high93.9Very high38 Ų3820.8 Ų20.818%0.1789%0.093CC..Hα-helixtrans-58.2-31.4172-74.2-60.2151.200113.1N66 H67 L75 M76 N79 V299N66-E69 HydrophobicContact CB-CG 4.41Å; N66-E69 WeakPolarHBondContact O-CB 3.07Å; N66-E69 WeakPolarHBondContact O-CG 3.5Å; N66-E69 PolarHBondContact O-N 2.8Å; H67-E69 PolarHBondContact O-N 2.93Å; E69-L75 CarbonylContact O-C 3.55Å; E69-L75 WeakPolarHBondContact O-CB 2.76Å; E69-M76 PolarHBondContact O-N 3.23Å; E69-N79 PolarHBondContact O-ND2 3.35Å; E69-N79 PolarHBondContact OE2-ND2 3.38Å; E69-V299 HydrophobicContact CB-CG2 4.38Å; E69-V299 HydrophobicContact CG-CG2 4.29Å
70L94.8Very high94Very high1 Ų120.6 Ų20.61%0.0059%0.092CC..Hα-helixtrans-97.6-33.9175.1-176.462.7000112.5H67 F68 M76 L293 V296 Y310 V327H67-L70 PolarHBondContact O-N 2.86Å; H67-L70 VanDerWaalsContact O-N 3.12Å; F68-L70 PolarHBondContact O-N 3.07Å; L70-M76 HydrophobicContact CD1-CG 4.43Å; L70-M76 WeakPolarHBondContact O-CB 3.39Å; L70-L293 HydrophobicContact CD2-CD2 3.59Å; L70-V296 HydrophobicContact CB-CG1 4.24Å; L70-V296 HydrophobicContact CB-CG2 4.34Å; L70-V296 HydrophobicContact CD1-CG1 4.07Å; L70-V296 HydrophobicContact CD1-CG2 4.28Å; L70-Y310 HydrophobicContact CD2-CD1 4.37Å; L70-Y310 HydrophobicContact CD2-CD2 4.31Å; L70-Y310 HydrophobicContact CD2-CE1 4.29Å; L70-Y310 HydrophobicContact CD2-CE2 4.19Å; L70-Y310 HydrophobicContact CD2-CG 4.4Å; L70-V327 HydrophobicContact CD1-CG2 4.28Å; L70-V327 HydrophobicContact CD2-CG1 3.88Å; L70-V327 HydrophobicContact CG-CB 4.08Å; L70-V327 HydrophobicContact CG-CG1 3.96Å; L70-V327 HydrophobicContact CG-CG2 4.27Å
71T93.1Very high93.9Very high28 Ų2823.3 Ų23.317%0.17210%0.103CC..Hα-helixtrans-95-20-167.665.40000114.4H67 F68 Y310 V327 A329H67-T71 WeakPolarHBondContact O-CG2 3.14Å; H67-T71 PolarHBondContact O-N 3.44Å; H67-T71 PolarHBondContact O-OG1 3.06Å; F68-T71 WeakPolarHBondContact CA-OG1 3.24Å; F68-T71 PolarHBondContact O-N 3.28Å; T71-Y310 HydrophobicContact CG2-CD1 4.08Å; T71-Y310 HydrophobicContact CG2-CE1 4.01Å; T71-V327 VanDerWaalsContact CA-O 3.25Å; T71-V327 WeakPolarHBondContact CA-O 3.24Å; T71-V327 VanDerWaalsContact CB-O 3.31Å; T71-V327 WeakPolarHBondContact CB-O 3.46Å; T71-V327 HydrophobicContact CG2-CG1 4.41Å; T71-A329 HydrophobicContact CG2-CB 3.72Å; T71-A329 VanDerWaalsContact CG2-N 3.31Å
72R91.9Very high93.9Very high97 Ų9726.7 Ų26.737%0.36612%0.116SC..SBendtrans-78.8130.7166.5-76.8-17954.1160.8-3.7110.1F68 D74 L75 M76F68-R72 HydrophobicContact CB-CG 4.02Å; F68-R72 VanDerWaalsContact O-CB 3.27Å; F68-R72 WeakPolarHBondContact O-CB 3.09Å; F68-R72 PolarHBondContact O-N 3.13Å; R72-D74 VanDerWaalsContact C-N 3.32Å; R72-D74 WeakPolarHBondContact CB-OD1 3.4Å; R72-D74 IonicContact CZ-OD1 3.96Å; R72-D74 IonicContact CZ-OD2 2.71Å; R72-D74 IonicContact NE-OD1 2.64Å; R72-D74 PolarHBondContact NE-OD1 3.2Å; R72-D74 VanDerWaalsContact NE-OD1 3.09Å; R72-D74 IonicContact NE-OD2 2.62Å; R72-D74 IonicContact NH2-OD1 3.33Å; R72-D74 PolarHBondContact NH2-OD1 2.98Å; R72-D74 IonicContact NH2-OD2 3.58Å; R72-D74 PolarHBondContact NH2-OD2 2.77Å; R72-D74 PolarHBondContact O-N 3.29Å; R72-L75 HydrophobicContact CB-CB 4.2Å; R72-L75 HydrophobicContact CB-CD1 4.14Å; R72-L75 HydrophobicContact CB-CG 4.03Å; R72-L75 PolarHBondContact O-N 3.5Å; R72-M76 WeakPolarHBondContact O-CB 3.27Å; R72-M76 PolarHBondContact O-N 3.05Å
73K91Very high94Very high16 Ų1627.6 Ų27.67%0.0712%0.12CC..Hα-helixtrans-62-38.5-172.6-64.5170.7171.361.40112.6V77 K137 S139 V179 E326K73-V77 VanDerWaalsContact O-CG2 3.32Å; K73-V77 WeakPolarHBondContact O-CG2 3.22Å; K73-V77 PolarHBondContact O-N 2.79Å; K73-K137 HydrophobicContact CD-CB 4.13Å; K73-K137 HydrophobicContact CD-CD 4.18Å; K73-S139 PolarHBondContact N-O 3.08Å; K73-V179 HydrophobicContact CB-CG1 4.29Å; K73-V179 HydrophobicContact CB-CG2 3.82Å; K73-V179 HydrophobicContact CD-CG2 4.12Å; K73-E326 VanDerWaalsContact CE-OE2 3.28Å; K73-E326 WeakPolarHBondContact CE-OE2 3.31Å; K73-E326 IonicContact NZ-OE2 2.74Å; K73-E326 PolarHBondContact NZ-OE2 3.12Å
74D90.8Very high93.9Very high6 Ų628.7 Ų28.73%0.03212%0.124CC..Hα-helixtrans-68.5-42.417862.4-46000112.3R72 R78 M114 V179R72-D74 VanDerWaalsContact C-N 3.32Å; R72-D74 WeakPolarHBondContact CB-OD1 3.4Å; R72-D74 IonicContact CZ-OD1 3.96Å; R72-D74 IonicContact CZ-OD2 2.71Å; R72-D74 IonicContact NE-OD1 2.64Å; R72-D74 PolarHBondContact NE-OD1 3.2Å; R72-D74 VanDerWaalsContact NE-OD1 3.09Å; R72-D74 IonicContact NE-OD2 2.62Å; R72-D74 IonicContact NH2-OD1 3.33Å; R72-D74 PolarHBondContact NH2-OD1 2.98Å; R72-D74 IonicContact NH2-OD2 3.58Å; R72-D74 PolarHBondContact NH2-OD2 2.77Å; R72-D74 PolarHBondContact O-N 3.29Å; D74-R78 WeakPolarHBondContact O-CB 3.49Å; D74-R78 PolarHBondContact O-N 3.27Å; D74-R78 VanDerWaalsContact O-N 3.08Å; D74-R78 IonicContact OD2-NH2 3.14Å; D74-R78 PolarHBondContact OD2-NH2 2.75Å; D74-M114 HydrophobicContact CB-CG 4.32Å; D74-M114 HydrophobicContact CB-SD 4.22Å; D74-V179 HydrophobicContact CB-CG1 3.93Å
75L93.9Very high93.9Very high13 Ų1336.1 Ų36.17%0.06815%0.152CC..Hα-helixtrans-70.5-44179.4-58.7-174.8000111.5F68 E69 R72 V77 R78 N79F68-L75 HydrophobicContact CD2-CD1 3.68Å; F68-L75 HydrophobicContact CE2-CD1 4.35Å; E69-L75 CarbonylContact O-C 3.55Å; E69-L75 WeakPolarHBondContact O-CB 2.76Å; R72-L75 HydrophobicContact CB-CB 4.2Å; R72-L75 HydrophobicContact CB-CD1 4.14Å; R72-L75 HydrophobicContact CB-CG 4.03Å; R72-L75 PolarHBondContact O-N 3.5Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.31Å; L75-R78 WeakPolarHBondContact O-CB 2.98Å; L75-R78 PolarHBondContact O-N 3.12Å; L75-R78 VanDerWaalsContact O-N 3.12Å; L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 VanDerWaalsContact O-CG 3.31Å; L75-N79 PolarHBondContact O-N 2.97Å; L75-N79 PolarHBondContact O-ND2 2.82Å; L75-N79 VanDerWaalsContact O-ND2 3.16Å
76M95.2Very high94.1Very high7 Ų737.6 Ų37.63%0.03416%0.157CC..Hα-helixtrans-52.4-52.2175.2-175-174.470.300111.3E69 L70 R72 R78 N79 I80 L324 V327E69-M76 PolarHBondContact O-N 3.23Å; L70-M76 HydrophobicContact CD1-CG 4.43Å; L70-M76 WeakPolarHBondContact O-CB 3.39Å; R72-M76 WeakPolarHBondContact O-CB 3.27Å; R72-M76 PolarHBondContact O-N 3.05Å; M76-R78 VanDerWaalsContact C-N 3.34Å; M76-R78 PolarHBondContact O-N 3.49Å; M76-N79 PolarHBondContact O-N 2.74Å; M76-I80 HydrophobicContact CG-CD1 3.93Å; M76-I80 VanDerWaalsContact O-CG1 3.31Å; M76-I80 WeakPolarHBondContact O-CG1 3.25Å; M76-I80 PolarHBondContact O-N 3.45Å; M76-L324 HydrophobicContact SD-CD2 4.03Å; M76-L324 HydrophobicContact SD-CG 4.31Å; M76-V327 HydrophobicContact SD-CG2 4.1Å
77V93.9Very high94.1Very high6 Ų637.4 Ų37.44%0.03616%0.156CC..Hα-helixtrans-64-40.8179.9171.20000111.2K73 L75 K81 I109 T112K73-V77 VanDerWaalsContact O-CG2 3.32Å; K73-V77 WeakPolarHBondContact O-CG2 3.22Å; K73-V77 PolarHBondContact O-N 2.79Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.31Å; V77-K81 HydrophobicContact CG1-CD 4.19Å; V77-K81 HydrophobicContact CG1-CG 4.49Å; V77-K81 WeakPolarHBondContact O-CB 3.38Å; V77-K81 WeakPolarHBondContact O-CG 3.49Å; V77-K81 PolarHBondContact O-N 2.88Å; V77-I109 HydrophobicContact CG1-CD1 4.41Å; V77-I109 HydrophobicContact CG2-CD1 4.42Å; V77-T112 HydrophobicContact CG1-CG2 4.23Å; V77-T112 HydrophobicContact CG2-CG2 3.93Å
78R94.2Very high94.2Very high108 Ų10841.3 Ų41.341%0.40817%0.174SC..Hα-helixtrans-64-44.7178.3-167.6-175.6-51.8145.512.3111.7D74 L75 M76 K81 R82D74-R78 WeakPolarHBondContact O-CB 3.49Å; D74-R78 PolarHBondContact O-N 3.27Å; D74-R78 VanDerWaalsContact O-N 3.08Å; D74-R78 IonicContact OD2-NH2 3.14Å; D74-R78 PolarHBondContact OD2-NH2 2.75Å; L75-R78 WeakPolarHBondContact O-CB 2.98Å; L75-R78 PolarHBondContact O-N 3.12Å; L75-R78 VanDerWaalsContact O-N 3.12Å; M76-R78 VanDerWaalsContact C-N 3.34Å; M76-R78 PolarHBondContact O-N 3.49Å; R78-K81 PolarHBondContact O-N 2.88Å; R78-R82 WeakPolarHBondContact O-CB 3.36Å; R78-R82 PolarHBondContact O-N 3.25Å
79N96.3Very high94.2Very high2 Ų247.2 Ų47.21%0.01120%0.195CC..Hα-helixtrans-65-43.5178.9-73.4-36.8000111.2E69 L75 M76 R82 Y83 V296E69-N79 PolarHBondContact O-ND2 3.35Å; E69-N79 PolarHBondContact OE2-ND2 3.38Å; L75-N79 WeakPolarHBondContact O-CB 3.41Å; L75-N79 VanDerWaalsContact O-CG 3.31Å; L75-N79 PolarHBondContact O-N 2.97Å; L75-N79 PolarHBondContact O-ND2 2.82Å; L75-N79 VanDerWaalsContact O-ND2 3.16Å; M76-N79 PolarHBondContact O-N 2.74Å; N79-R82 PolarHBondContact O-N 3.48Å; N79-R82 PolarHBondContact OD1-NH1 2.64Å; N79-R82 PolarHBondContact OD1-NH2 2.88Å; N79-Y83 WeakPolarHBondContact O-CB 3.47Å; N79-Y83 PolarHBondContact O-N 3.01Å; N79-V296 HydrophobicContact CB-CG1 3.84Å
80I95.8Very high94.2Very high2 Ų252.1 Ų52.11%0.0122%0.217CC..Hα-helixtrans-64.6-42.5175-66.9166.4000111.6M76 R82 Y83 R84 F108 I109 A295 L324M76-I80 HydrophobicContact CG-CD1 3.93Å; M76-I80 VanDerWaalsContact O-CG1 3.31Å; M76-I80 WeakPolarHBondContact O-CG1 3.25Å; M76-I80 PolarHBondContact O-N 3.45Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.9Å; I80-Y83 PolarHBondContact O-N 2.87Å; I80-R84 WeakPolarHBondContact O-CG 3.32Å; I80-R84 PolarHBondContact O-N 2.74Å; I80-F108 HydrophobicContact CD1-CE2 4.11Å; I80-F108 HydrophobicContact CG2-CE2 4.33Å; I80-F108 HydrophobicContact CG2-CZ 4.37Å; I80-I109 HydrophobicContact CB-CD1 4.04Å; I80-I109 HydrophobicContact CD1-CD1 4.21Å; I80-I109 HydrophobicContact CD1-CG2 3.69Å; I80-I109 HydrophobicContact CG2-CD1 3.68Å; I80-I109 HydrophobicContact CG2-CG1 4.11Å; I80-A295 HydrophobicContact CG1-CB 4.06Å; I80-L324 HydrophobicContact CD1-CD2 4.4Å
81K93.8Very high94Very high59 Ų5955 Ų5526%0.25725%0.248SC..Hα-helixtrans-61.7-40.2175-77.4-179.2-177.2179.30111.8V77 R78 R85 T112V77-K81 HydrophobicContact CG1-CD 4.19Å; V77-K81 HydrophobicContact CG1-CG 4.49Å; V77-K81 WeakPolarHBondContact O-CB 3.38Å; V77-K81 WeakPolarHBondContact O-CG 3.49Å; V77-K81 PolarHBondContact O-N 2.88Å; R78-K81 PolarHBondContact O-N 2.88Å; K81-R85 WeakPolarHBondContact O-CG 3.44Å; K81-R85 PolarHBondContact O-N 3.31Å; K81-T112 PolarHBondContact NZ-O 2.82Å
82R95.5Very high94Very high71 Ų7156.1 Ų56.127%0.26825%0.253SS..Hα-helixtrans-63.4-50.4175.7-176.4-175.664.2-117.7-12.3110.7R78 N79 I80 R84 R85 E86 A295 V299R78-R82 WeakPolarHBondContact O-CB 3.36Å; R78-R82 PolarHBondContact O-N 3.25Å; N79-R82 PolarHBondContact O-N 3.48Å; N79-R82 PolarHBondContact OD1-NH1 2.64Å; N79-R82 PolarHBondContact OD1-NH2 2.88Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.9Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.12Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.44Å; R82-E86 VanDerWaalsContact CD-OE1 3.31Å; R82-E86 WeakPolarHBondContact CD-OE1 3.22Å; R82-E86 HydrophobicContact CG-CG 4.35Å; R82-E86 VanDerWaalsContact CG-OE1 3.24Å; R82-E86 WeakPolarHBondContact CG-OE1 3.49Å; R82-E86 IonicContact NE-OE1 3.03Å; R82-E86 WeakPolarHBondContact O-CG 3.03Å; R82-E86 PolarHBondContact O-N 3.04Å; R82-A295 PolarHBondContact NH2-O 3.46Å; R82-V299 VanDerWaalsContact NH2-CG1 3.32Å
83Y96.2Very high94.1Very high25 Ų2555.9 Ų55.910%0.09826%0.264CS..Hα-helixtrans-55.6-46.3179176.4-119000112.7N79 I80 R85 E86 L87 L106 H291 K294 A295N79-Y83 WeakPolarHBondContact O-CB 3.47Å; N79-Y83 PolarHBondContact O-N 3.01Å; I80-Y83 PolarHBondContact O-N 2.87Å; Y83-R85 VanDerWaalsContact C-N 3.33Å; Y83-R85 PolarHBondContact O-N 3.08Å; Y83-E86 PolarHBondContact O-N 2.98Å; Y83-L87 HydrophobicContact CD1-CD1 4.22Å; Y83-L87 HydrophobicContact CD2-CD1 4.35Å; Y83-L87 HydrophobicContact CD2-CG 4.32Å; Y83-L87 HydrophobicContact CE1-CD1 3.67Å; Y83-L87 HydrophobicContact CE2-CD1 3.8Å; Y83-L87 HydrophobicContact CE2-CD2 4.21Å; Y83-L87 HydrophobicContact CE2-CG 3.96Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.44Å; Y83-L87 WeakPolarHBondContact O-CG 3.34Å; Y83-L87 PolarHBondContact O-N 3.16Å; Y83-L106 HydrophobicContact CE1-CD2 4.23Å; Y83-H291 HydrophobicContact CE1-CB 4.26Å; Y83-H291 AromaticContact CE1-ND1 3.72Å; Y83-H291 AromaticContact CZ-ND1 3.78Å; Y83-H291 PolarHBondContact OH-ND1 3.02Å; Y83-K294 HydrophobicContact CE2-CB 4.22Å; Y83-A295 HydrophobicContact CD1-CB 3.8Å; Y83-A295 HydrophobicContact CD2-CB 4.46Å; Y83-A295 HydrophobicContact CG-CB 3.69Å
84R95.2Very high94.2Very high23 Ų2357.1 Ų57.19%0.08727%0.271CS..Hα-helixtrans-57.6-42.6175.1-72.8171.2178.2177.32112.7I80 R82 E88 Y103 L106I80-R84 WeakPolarHBondContact O-CG 3.32Å; I80-R84 PolarHBondContact O-N 2.74Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.12Å; R84-E88 WeakPolarHBondContact O-CB 2.97Å; R84-E88 PolarHBondContact O-N 3.11Å; R84-Y103 HydrophobicContact CB-CE1 4Å; R84-Y103 HydrophobicContact CB-CE2 4.08Å; R84-Y103 HydrophobicContact CG-CD2 4.44Å; R84-Y103 HydrophobicContact CG-CE1 4.44Å; R84-Y103 HydrophobicContact CG-CE2 4.28Å; R84-L106 HydrophobicContact CG-CB 4.01Å; R84-L106 HydrophobicContact CG-CD1 3.96Å; R84-L106 PolarHBondContact NE-O 2.85Å; R84-L106 PolarHBondContact NH2-O 3.42Å
85R94.1Very high94.3Very high156 Ų15657.2 Ų57.259%0.58927%0.272SS*.Hα-helixtrans-71.1-33.9178.6-70.1176.3-173.4169.20.4113K81 R82 Y83 R89K81-R85 WeakPolarHBondContact O-CG 3.44Å; K81-R85 PolarHBondContact O-N 3.31Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.44Å; Y83-R85 VanDerWaalsContact C-N 3.33Å; Y83-R85 PolarHBondContact O-N 3.08Å; R85-R89 WeakPolarHBondContact O-CB 3.37Å; R85-R89 PolarHBondContact O-N 3.02Å
86E95.1Very high94.2Very high49 Ų4959.8 Ų59.823%0.22929%0.289CS..Hα-helixtrans-64.1-50.5175.1-74.7167.9177.400110.1R82 Y83 E88 R89 E90R82-E86 VanDerWaalsContact CD-OE1 3.31Å; R82-E86 WeakPolarHBondContact CD-OE1 3.22Å; R82-E86 HydrophobicContact CG-CG 4.35Å; R82-E86 VanDerWaalsContact CG-OE1 3.24Å; R82-E86 WeakPolarHBondContact CG-OE1 3.49Å; R82-E86 IonicContact NE-OE1 3.03Å; R82-E86 WeakPolarHBondContact O-CG 3.03Å; R82-E86 PolarHBondContact O-N 3.04Å; Y83-E86 PolarHBondContact O-N 2.98Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.32Å; E86-R89 WeakPolarHBondContact O-CB 3.37Å; E86-R89 PolarHBondContact O-N 3.16Å; E86-R89 VanDerWaalsContact O-N 3.11Å; E86-E90 WeakPolarHBondContact O-CG 3.27Å; E86-E90 PolarHBondContact O-N 2.62Å
87L94.8Very high94.1Very high11 Ų1163 Ų636%0.05830%0.303CS..Hα-helixtrans-60.5-38.3175.2-68.9-179.5000113Y83 E90 G91 N92 L94 A95 L106Y83-L87 HydrophobicContact CD1-CD1 4.22Å; Y83-L87 HydrophobicContact CD2-CD1 4.35Å; Y83-L87 HydrophobicContact CD2-CG 4.32Å; Y83-L87 HydrophobicContact CE1-CD1 3.67Å; Y83-L87 HydrophobicContact CE2-CD1 3.8Å; Y83-L87 HydrophobicContact CE2-CD2 4.21Å; Y83-L87 HydrophobicContact CE2-CG 3.96Å; Y83-L87 VanDerWaalsContact CZ-CD1 3.44Å; Y83-L87 WeakPolarHBondContact O-CG 3.34Å; Y83-L87 PolarHBondContact O-N 3.16Å; L87-E90 PolarHBondContact O-N 3.3Å; L87-G91 PolarHBondContact O-N 3.42Å; L87-N92 HydrophobicContact CB-CB 4.03Å; L87-N92 HydrophobicContact CD2-CB 3.9Å; L87-N92 WeakPolarHBondContact O-CB 3.4Å; L87-N92 PolarHBondContact O-N 3.27Å; L87-L94 HydrophobicContact CD1-CB 4.39Å; L87-A95 HydrophobicContact CB-CB 3.78Å; L87-L106 HydrophobicContact CD1-CD1 3.63Å
88E93.8Very high94Very high88 Ų8865.4 Ų65.441%0.41132%0.315SS..Hα-helixtrans-62.4-43174.8-177.5172.2-162.600111.5R84 E86 E90 G91 A95 K97 Y103R84-E88 WeakPolarHBondContact O-CB 2.97Å; R84-E88 PolarHBondContact O-N 3.11Å; E86-E88 VanDerWaalsContact C-N 3.31Å; E86-E88 PolarHBondContact O-N 3.32Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.42Å; E88-G91 PolarHBondContact O-N 3.18Å; E88-G91 VanDerWaalsContact O-N 3.17Å; E88-A95 HydrophobicContact CB-CB 4.02Å; E88-K97 IonicContact OE1-NZ 3.63Å; E88-K97 PolarHBondContact OE1-NZ 3.43Å; E88-K97 IonicContact OE2-NZ 3.29Å; E88-K97 PolarHBondContact OE2-NZ 3.19Å; E88-Y103 PolarHBondContact OE2-OH 3.43Å
89R94.4Very high93.8Very high186 Ų18668.9 Ų68.970%0.70234%0.342SS*.Hα-helixtrans-65.9-34.2177.4-167.4-170-54.9108.11.3112.3R85 E86 G91R85-R89 WeakPolarHBondContact O-CB 3.37Å; R85-R89 PolarHBondContact O-N 3.02Å; E86-R89 WeakPolarHBondContact O-CB 3.37Å; E86-R89 PolarHBondContact O-N 3.16Å; E86-R89 VanDerWaalsContact O-N 3.11Å; R89-G91 PolarHBondContact O-N 2.95Å
90E94.2Very high93.3Very high140 Ų14073.7 Ų73.765%0.65437%0.371SS*.THydrogen-bonded Turntrans-77-6.1177.1-69.9169.2-170.200113E86 L87 E88 N92E86-E90 WeakPolarHBondContact O-CG 3.27Å; E86-E90 PolarHBondContact O-N 2.62Å; L87-E90 PolarHBondContact O-N 3.3Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.42Å; E90-N92 PolarHBondContact O-N 2.96Å
91G91.8Very high92.8Very high63 Ų6375.7 Ų75.765%0.64939%0.393SS*.THydrogen-bonded Turntrans66.924-174.900000112.8L87 E88 R89L87-G91 PolarHBondContact O-N 3.42Å; E88-G91 PolarHBondContact O-N 3.18Å; E88-G91 VanDerWaalsContact O-N 3.17Å; R89-G91 PolarHBondContact O-N 2.95Å
92N93.2Very high92.6Very high51 Ų5178.2 Ų78.227%0.27340%0.404SS..  trans-68.8131.7-177.6-170.9-59.3000110.1L87 E90 L94 A95L87-N92 HydrophobicContact CB-CB 4.03Å; L87-N92 HydrophobicContact CD2-CB 3.9Å; L87-N92 WeakPolarHBondContact O-CB 3.4Å; L87-N92 PolarHBondContact O-N 3.27Å; E90-N92 PolarHBondContact O-N 2.96Å; N92-L94 PolarHBondContact O-N 2.95Å; N92-L94 VanDerWaalsContact OD1-CB 3.29Å; N92-L94 WeakPolarHBondContact OD1-CB 3.42Å; N92-L94 VanDerWaalsContact OD1-CG 3.24Å; N92-L94 WeakPolarHBondContact OD1-CG 3.48Å; N92-L94 PolarHBondContact OD1-N 3.49Å; N92-A95 PolarHBondContact O-N 2.95Å
93P93.2Very high92.4Very high92 Ų9276.2 Ų76.260%0.59740%0.396SS*.G310 helixtrans-60.4-19.1-177.724.2-35.2000113.8A95 V96P93-A95 PolarHBondContact O-N 3.4Å; P93-V96 WeakPolarHBondContact O-CG2 3.2Å; P93-V96 PolarHBondContact O-N 3.04Å
94L93Very high92.2Very high41 Ų4179.7 Ų79.722%0.21542%0.416CS..G310 helixtrans-69.8-20.5174.9-58.8-174.5000113.2L87 N92 L106 W287 H291L87-L94 HydrophobicContact CD1-CB 4.39Å; N92-L94 PolarHBondContact O-N 2.95Å; N92-L94 VanDerWaalsContact OD1-CB 3.29Å; N92-L94 WeakPolarHBondContact OD1-CB 3.42Å; N92-L94 VanDerWaalsContact OD1-CG 3.24Å; N92-L94 WeakPolarHBondContact OD1-CG 3.48Å; N92-L94 PolarHBondContact OD1-N 3.49Å; L94-L106 HydrophobicContact CB-CD1 4.5Å; L94-L106 WeakPolarHBondContact O-CD1 3.27Å; L94-L106 WeakPolarHBondContact O-CG 3.4Å; L94-W287 HydrophobicContact CD1-CH2 4.37Å; L94-W287 HydrophobicContact CD1-CZ2 4.31Å; L94-W287 HydrophobicContact CD2-CH2 3.75Å; L94-W287 HydrophobicContact CD2-CZ2 3.73Å; L94-H291 VanDerWaalsContact CD1-CE1 3.49Å; L94-H291 WeakPolarHBondContact CD1-CE1 3.4Å
95A92.6Very high92.1Very high8 Ų883.4 Ų83.47%0.06643%0.433CS..G310 helixtrans-92.210.3179.700000114L87 E88 N92 P93 Y103L87-A95 HydrophobicContact CB-CB 3.78Å; E88-A95 HydrophobicContact CB-CB 4.02Å; N92-A95 PolarHBondContact O-N 2.95Å; P93-A95 PolarHBondContact O-N 3.4Å; A95-Y103 HydrophobicContact CB-CE1 4.22Å; A95-Y103 WeakPolarHBondContact O-CD1 3.48Å
96V93.1Very high92.1Very high68 Ų6876 Ų7641%0.41241%0.405SS..  trans-61.2137.6175.9176.80000110.4P93 Y103 L104P93-V96 WeakPolarHBondContact O-CG2 3.2Å; P93-V96 PolarHBondContact O-N 3.04Å; V96-Y103 WeakPolarHBondContact O-CA 3.33Å; V96-L104 HydrophobicContact CB-CD1 4.31Å; V96-L104 HydrophobicContact CG1-CD1 3.67Å; V96-L104 PolarHBondContact O-N 2.99Å
97K92.8Very high92Very high75 Ų7575 Ų7533%0.32640%0.401SS..BIsolated β-bridgetrans-107.7149.3176.4-66.9169.5-176.3160.40110.6E88 K102 Y103E88-K97 IonicContact OE1-NZ 3.63Å; E88-K97 PolarHBondContact OE1-NZ 3.43Å; E88-K97 IonicContact OE2-NZ 3.29Å; E88-K97 PolarHBondContact OE2-NZ 3.19Å; K97-K102 CarbonylContact C-O 3.59Å; K97-K102 WeakPolarHBondContact CA-O 3.2Å; K97-Y103 WeakPolarHBondContact CE-OH 3.37Å; K97-Y103 HydrophobicContact CG-CD1 4.09Å; K97-Y103 HydrophobicContact CG-CE1 4.21Å; K97-Y103 HydrophobicContact CG-CG 4.37Å
98D91.4Very high92.1Very high56 Ų5674.9 Ų74.930%0.29940%0.4SS..  trans-76.3177.1167.567.319.4000111.8T100 G101 K102 L104D98-T100 VanDerWaalsContact CG-OG1 3.29Å; D98-T100 PolarHBondContact O-N 3.13Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 VanDerWaalsContact OD1-CA 3.27Å; D98-T100 WeakPolarHBondContact OD1-CA 3.38Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 PolarHBondContact OD1-N 2.75Å; D98-T100 PolarHBondContact OD1-OG1 2.93Å; D98-T100 PolarHBondContact OD2-OG1 3.3Å; D98-G101 PolarHBondContact O-N 3.38Å; D98-G101 PolarHBondContact OD1-N 3.45Å; D98-K102 PolarHBondContact N-O 2.94Å; D98-K102 PolarHBondContact OD1-N 2.65Å; D98-L104 HydrophobicContact CB-CD2 3.91Å
99D89.6Confident92.2Very high180 Ų18071 Ų7196%0.96338%0.382SS*.THydrogen-bonded Turntrans-61.4-17.5178.7-57.7-29.5000113.3
100T85.2Confident92.1Very high103 Ų10363 Ų6363%0.63236%0.355SS*.THydrogen-bonded Turntrans-90.5-1.9176.379.20000112.9D98D98-T100 VanDerWaalsContact CG-OG1 3.29Å; D98-T100 PolarHBondContact O-N 3.13Å; D98-T100 VanDerWaalsContact O-N 3.08Å; D98-T100 VanDerWaalsContact OD1-CA 3.27Å; D98-T100 WeakPolarHBondContact OD1-CA 3.38Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 PolarHBondContact OD1-N 2.75Å; D98-T100 PolarHBondContact OD1-OG1 2.93Å; D98-T100 PolarHBondContact OD2-OG1 3.3Å
101G86.6Confident92.1Very high45 Ų4559.3 Ų59.346%0.46434%0.341SS..SBendtrans80.99.7-178.100000114.4D98D98-G101 PolarHBondContact O-N 3.38Å; D98-G101 PolarHBondContact OD1-N 3.45Å
102K88.2Confident92.1Very high111 Ų11156.6 Ų56.648%0.48331%0.312SS..  trans-87.8144.3176.3-67.8-179.9-177.1174.20110.5K97 D98 L104K97-K102 CarbonylContact C-O 3.59Å; K97-K102 WeakPolarHBondContact CA-O 3.2Å; D98-K102 PolarHBondContact N-O 2.94Å; D98-K102 PolarHBondContact OD1-N 2.65Å; K102-L104 PolarHBondContact O-N 3.41Å
103Y92.3Very high92.1Very high30 Ų3055.6 Ų55.612%0.11831%0.305CS..BIsolated β-bridgetrans-68.8130.9177.4-68.3-87.4000110.9R84 E88 A95 V96 K97 L106 D107R84-Y103 HydrophobicContact CB-CE1 4Å; R84-Y103 HydrophobicContact CB-CE2 4.08Å; R84-Y103 HydrophobicContact CG-CD2 4.44Å; R84-Y103 HydrophobicContact CG-CE1 4.44Å; R84-Y103 HydrophobicContact CG-CE2 4.28Å; E88-Y103 PolarHBondContact OE2-OH 3.43Å; A95-Y103 HydrophobicContact CB-CE1 4.22Å; A95-Y103 WeakPolarHBondContact O-CD1 3.48Å; V96-Y103 WeakPolarHBondContact O-CA 3.33Å; K97-Y103 WeakPolarHBondContact CE-OH 3.37Å; K97-Y103 HydrophobicContact CG-CD1 4.09Å; K97-Y103 HydrophobicContact CG-CE1 4.21Å; K97-Y103 HydrophobicContact CG-CG 4.37Å; Y103-L106 HydrophobicContact CG-CB 4.35Å; Y103-D107 WeakPolarHBondContact O-CB 3.3Å; Y103-D107 PolarHBondContact O-N 2.61Å
104L91.3Very high92Very high98 Ų9852.6 Ų52.651%0.51328%0.283SS..THydrogen-bonded Turntrans-68.3-47179.3-71.4173.9000112.1V96 D98 K102V96-L104 HydrophobicContact CB-CD1 4.31Å; V96-L104 HydrophobicContact CG1-CD1 3.67Å; V96-L104 PolarHBondContact O-N 2.99Å; D98-L104 HydrophobicContact CB-CD2 3.91Å; K102-L104 PolarHBondContact O-N 3.41Å
105F92.6Very high91.8Very high100 Ų10050.8 Ų50.844%0.43927%0.274SS..THydrogen-bonded Turntrans-101.5-17-173.2-52.9-71.3000113.7W287F105-W287 HydrophobicContact CB-CZ2 4.16Å; F105-W287 PolarHBondContact O-NE1 3.03Å
106L94.7Very high91.6Very high0 Ų054 Ų540%029%0.294CS..THydrogen-bonded Turntrans-112.55.2-173.6-61174.1000113.1Y83 R84 L87 L94 Y103 F108 H291Y83-L106 HydrophobicContact CE1-CD2 4.23Å; R84-L106 HydrophobicContact CG-CB 4.01Å; R84-L106 HydrophobicContact CG-CD1 3.96Å; R84-L106 PolarHBondContact NE-O 2.85Å; R84-L106 PolarHBondContact NH2-O 3.42Å; L87-L106 HydrophobicContact CD1-CD1 3.63Å; L94-L106 HydrophobicContact CB-CD1 4.5Å; L94-L106 WeakPolarHBondContact O-CD1 3.27Å; L94-L106 WeakPolarHBondContact O-CG 3.4Å; Y103-L106 HydrophobicContact CG-CB 4.35Å; L106-F108 VanDerWaalsContact C-CD1 3.47Å; L106-F108 VanDerWaalsContact C-N 3.32Å; L106-F108 HydrophobicContact CB-CE1 4.15Å; L106-F108 HydrophobicContact CD2-CE1 3.8Å; L106-F108 VanDerWaalsContact O-CD1 3.27Å; L106-F108 WeakPolarHBondContact O-CD1 3.39Å; L106-F108 WeakPolarHBondContact O-CE1 3.43Å; L106-F108 PolarHBondContact O-N 2.66Å; L106-F108 VanDerWaalsContact O-N 3.08Å; L106-H291 HydrophobicContact CD2-CB 4.12Å
107D94.4Very high91.3Very high28 Ų2857.2 Ų57.215%0.1530%0.304CS..  trans-83.867.1178.3-174.249.3000113.3Y103 K321Y103-D107 WeakPolarHBondContact O-CB 3.3Å; Y103-D107 PolarHBondContact O-N 2.61Å; D107-K321 WeakPolarHBondContact O-CE 3.33Å; D107-K321 PolarHBondContact O-NZ 2.75Å; D107-K321 IonicContact OD2-NZ 3.72Å; D107-K321 PolarHBondContact OD2-NZ 3.34Å
108F95.4Very high91.2Very high9 Ų955 Ų554%0.03930%0.296CS..  trans-119.24.8-177.554.9-106.4000115.1I80 L106 I288 H291 L324I80-F108 HydrophobicContact CD1-CE2 4.11Å; I80-F108 HydrophobicContact CG2-CE2 4.33Å; I80-F108 HydrophobicContact CG2-CZ 4.37Å; L106-F108 VanDerWaalsContact C-CD1 3.47Å; L106-F108 VanDerWaalsContact C-N 3.32Å; L106-F108 HydrophobicContact CB-CE1 4.15Å; L106-F108 HydrophobicContact CD2-CE1 3.8Å; L106-F108 VanDerWaalsContact O-CD1 3.27Å; L106-F108 WeakPolarHBondContact O-CD1 3.39Å; L106-F108 WeakPolarHBondContact O-CE1 3.43Å; L106-F108 PolarHBondContact O-N 2.66Å; L106-F108 VanDerWaalsContact O-N 3.08Å; F108-I288 HydrophobicContact CB-CD1 3.66Å; F108-I288 HydrophobicContact CB-CG1 3.46Å; F108-I288 VanDerWaalsContact CB-CG1 3.46Å; F108-I288 HydrophobicContact CD1-CG1 4.34Å; F108-I288 HydrophobicContact CD2-CG1 4.2Å; F108-I288 HydrophobicContact CD2-CG2 4.07Å; F108-I288 HydrophobicContact CG-CD1 4.45Å; F108-I288 HydrophobicContact CG-CG1 3.77Å; F108-H291 HydrophobicContact CE1-CB 3.93Å; F108-H291 HydrophobicContact CZ-CB 3.93Å; F108-L324 PolarHBondContact O-N 2.8Å
109I95.4Very high91Very high7 Ų755.6 Ų55.64%0.03630%0.295CS..SBendtrans-115.6138.4169.350.5161.7000109.3V77 I80 L324V77-I109 HydrophobicContact CG1-CD1 4.41Å; V77-I109 HydrophobicContact CG2-CD1 4.42Å; I80-I109 HydrophobicContact CB-CD1 4.04Å; I80-I109 HydrophobicContact CD1-CD1 4.21Å; I80-I109 HydrophobicContact CD1-CG2 3.69Å; I80-I109 HydrophobicContact CG2-CD1 3.68Å; I80-I109 HydrophobicContact CG2-CG1 4.11Å; I109-L324 HydrophobicContact CG2-CB 3.99Å; I109-L324 HydrophobicContact CG2-CD2 4.27Å; I109-L324 HydrophobicContact CG2-CG 4.41Å
110P93.7Very high91Very high19 Ų1952.6 Ų52.612%0.12328%0.279CS..  trans-57.9146.7173.5-23.833.7000111.5T112 I184 W323 L324P110-T112 PolarHBondContact O-N 3.29Å; P110-T112 PolarHBondContact O-OG1 2.95Å; P110-I184 HydrophobicContact CG-CD1 4.31Å; P110-I184 HydrophobicContact CG-CG1 4.5Å; P110-W323 HydrophobicContact CG-CB 4.44Å; P110-W323 HydrophobicContact CG-CE3 4.2Å; P110-L324 WeakPolarHBondContact CD-O 3.48Å
111V92.7Very high91.4Very high61 Ų6152.1 Ų52.137%0.3727%0.272SS..  trans-52.6120175179.20000108.8Y113 W134 S181 R182V111-Y113 HydrophobicContact CG1-CD2 4.5Å; V111-Y113 HydrophobicContact CG1-CE2 3.66Å; V111-W134 HydrophobicContact CB-CH2 4.43Å; V111-W134 HydrophobicContact CG1-CH2 4.04Å; V111-W134 HydrophobicContact CG1-CZ3 4.31Å; V111-S181 CarbonylContact O-C 3.51Å; V111-S181 WeakPolarHBondContact O-CA 3.47Å; V111-R182 HydrophobicContact CB-CB 4.26Å; V111-R182 PolarHBondContact O-N 2.74Å
112T93.8Very high91.6Very high6 Ų650 Ų504%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-136.2137.5-171.7-59.40000111.1V77 K81 P110 V179 I180 S181V77-T112 HydrophobicContact CG1-CG2 4.23Å; V77-T112 HydrophobicContact CG2-CG2 3.93Å; K81-T112 PolarHBondContact NZ-O 2.82Å; P110-T112 PolarHBondContact O-N 3.29Å; P110-T112 PolarHBondContact O-OG1 2.95Å; T112-V179 HydrophobicContact CG2-CB 3.95Å; T112-V179 HydrophobicContact CG2-CG1 4.36Å; T112-I180 CarbonylContact C-O 3.6Å; T112-I180 VanDerWaalsContact CA-O 3.29Å; T112-I180 WeakPolarHBondContact CA-O 3.35Å; T112-S181 VanDerWaalsContact CG2-OG 3.22Å; T112-S181 WeakPolarHBondContact CG2-OG 3.33Å; T112-S181 WeakPolarHBondContact OG1-CB 3.43Å; T112-S181 PolarHBondContact OG1-OG 3.43Å
113Y92.9Very high91.6Very high30 Ų3045.4 Ų45.412%0.11823%0.232CC..EExtended strand (participates in β ladder)trans-122.2146.2177.2-59-81.3000110.4V111 D118 L121 F122 E125 W134 V179 I180V111-Y113 HydrophobicContact CG1-CD2 4.5Å; V111-Y113 HydrophobicContact CG1-CE2 3.66Å; Y113-D118 HydrophobicContact CD1-CB 4.08Å; Y113-D118 HydrophobicContact CG-CB 4.41Å; Y113-L121 HydrophobicContact CD1-CB 3.98Å; Y113-L121 HydrophobicContact CE1-CB 3.84Å; Y113-F122 HydrophobicContact CD2-CB 3.9Å; Y113-F122 HydrophobicContact CD2-CD2 4.01Å; Y113-F122 HydrophobicContact CD2-CG 4.46Å; Y113-F122 HydrophobicContact CE2-CB 4.48Å; Y113-F122 HydrophobicContact CE2-CD2 4.45Å; Y113-F122 HydrophobicContact CG-CB 3.96Å; Y113-E125 HydrophobicContact CE2-CB 4.18Å; Y113-E125 HydrophobicContact CE2-CG 4.25Å; Y113-E125 WeakPolarHBondContact OH-CB 3.49Å; Y113-E125 WeakPolarHBondContact OH-CG 3.46Å; Y113-W134 HydrophobicContact CD2-CH2 4.22Å; Y113-W134 AromaticContact CD2-CZ3 3.85Å; Y113-W134 HydrophobicContact CD2-CZ3 3.85Å; Y113-W134 AromaticContact CE2-CH2 3.69Å; Y113-W134 HydrophobicContact CE2-CH2 3.69Å; Y113-W134 AromaticContact CE2-CZ3 3.79Å; Y113-W134 HydrophobicContact CE2-CZ3 3.79Å; Y113-V179 WeakPolarHBondContact O-CA 3.24Å; Y113-I180 HydrophobicContact CD2-CG2 4.49Å; Y113-I180 PolarHBondContact N-O 2.83Å; Y113-I180 PolarHBondContact O-N 3.48Å
114M91.3Very high91.5Very high29 Ų2949.2 Ų49.214%0.14325%0.251CS..EExtended strand (participates in β ladder)trans-96.7121.5178.5-63.5174.7-70.200110.3D74 Q117 D118D74-M114 HydrophobicContact CB-CG 4.32Å; D74-M114 HydrophobicContact CB-SD 4.22Å; M114-Q117 PolarHBondContact O-N 3.09Å; M114-D118 PolarHBondContact N-OD2 2.5Å; M114-D118 VanDerWaalsContact O-CB 3.29Å; M114-D118 WeakPolarHBondContact O-CB 3.04Å; M114-D118 PolarHBondContact O-N 3.49Å
115L88.6Confident91.4Very high3 Ų346.5 Ų46.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-97.7141177.8-61.5-179.6000111Y119 M136 L156 W159 Y178 I180L115-Y119 HydrophobicContact CD2-CD2 4.22Å; L115-M136 HydrophobicContact CD1-CE 3.72Å; L115-M136 HydrophobicContact CD1-SD 4.2Å; L115-L156 HydrophobicContact CD1-CD1 3.98Å; L115-W159 HydrophobicContact CD1-CZ3 4.5Å; L115-Y178 PolarHBondContact N-O 2.78Å; L115-I180 HydrophobicContact CD1-CB 4.17Å; L115-I180 HydrophobicContact CD1-CG2 4.03Å; L115-I180 HydrophobicContact CD2-CG2 4.3Å; L115-I180 HydrophobicContact CG-CG2 3.99Å
116P87.4Confident91.2Very high75 Ų7542.2 Ų42.249%0.48722%0.217SC..THydrogen-bonded Turncis-87.1-56.534.4-37000116.2D118 Y119P116-D118 PolarHBondContact O-N 3.09Å; P116-Y119 WeakPolarHBondContact O-CB 3.25Å; P116-Y119 PolarHBondContact O-N 2.97Å
117Q87.4Confident90.9Very high137 Ų13749.4 Ų49.464%0.6425%0.249SC*.THydrogen-bonded Turntrans-62.8-43.4-168.5-66.979.46.800113.8M114 Y119M114-Q117 PolarHBondContact O-N 3.09Å; Q117-Y119 VanDerWaalsContact C-N 3.35Å
118D89.9Confident90.5Very high29 Ų2956.8 Ų56.816%0.15527%0.274CS..THydrogen-bonded Turntrans-94.916.7-176.2-62.3-26.2000112.4Y113 M114 P116 N120 L121 F122Y113-D118 HydrophobicContact CD1-CB 4.08Å; Y113-D118 HydrophobicContact CG-CB 4.41Å; M114-D118 PolarHBondContact N-OD2 2.5Å; M114-D118 VanDerWaalsContact O-CB 3.29Å; M114-D118 WeakPolarHBondContact O-CB 3.04Å; M114-D118 PolarHBondContact O-N 3.49Å; P116-D118 PolarHBondContact O-N 3.09Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 2.76Å; D118-L121 HydrophobicContact CB-CD1 4.45Å; D118-L121 PolarHBondContact O-N 3.21Å; D118-F122 PolarHBondContact O-N 3.29Å
119Y88.1Confident90.1Very high67 Ų6759.6 Ų59.626%0.26329%0.29SS..Hα-helixtrans-56.5-42.3-175.5176.1-90.9000112.7L115 P116 Q117 F122 A123 L156L115-Y119 HydrophobicContact CD2-CD2 4.22Å; P116-Y119 WeakPolarHBondContact O-CB 3.25Å; P116-Y119 PolarHBondContact O-N 2.97Å; Q117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-F122 PolarHBondContact O-N 2.95Å; Y119-A123 HydrophobicContact CE1-CB 4.42Å; Y119-A123 WeakPolarHBondContact O-CB 3.48Å; Y119-A123 PolarHBondContact O-N 3.42Å; Y119-L156 HydrophobicContact CD2-CD2 3.88Å; Y119-L156 HydrophobicContact CE2-CD2 3.46Å; Y119-L156 VanDerWaalsContact CE2-CD2 3.46Å; Y119-L156 HydrophobicContact CE2-CG 4.06Å
120N90.1Very high89.4Confident118 Ų11863.2 Ų63.263%0.63131%0.313SS*.Hα-helixtrans-66.1-43.5-179.2-66.3-27.1000111.5D118 F122 A123 E124D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 2.76Å; N120-F122 VanDerWaalsContact C-N 3.35Å; N120-F122 PolarHBondContact O-N 2.81Å; N120-A123 PolarHBondContact O-N 3.15Å; N120-E124 WeakPolarHBondContact O-CG 3.22Å; N120-E124 PolarHBondContact O-N 3.3Å
121L91.8Very high88.9Confident93 Ų9367.5 Ų67.549%0.48734%0.344SS..Hα-helixtrans-61.7-43.9176.1-67.1171.8000111.4Y113 D118 E124 E125Y113-L121 HydrophobicContact CD1-CB 3.98Å; Y113-L121 HydrophobicContact CE1-CB 3.84Å; D118-L121 HydrophobicContact CB-CD1 4.45Å; D118-L121 PolarHBondContact O-N 3.21Å; L121-E124 PolarHBondContact O-N 3.08Å; L121-E125 PolarHBondContact O-N 3.28Å
122F90.7Very high88.6Confident0 Ų064.6 Ų64.60%033%0.326CS..Hα-helixtrans-61-44.7173.8165.1-102.3000111.6Y113 D118 Y119 N120 E124 E125 F126 W134 L153 L156 I180Y113-F122 HydrophobicContact CD2-CB 3.9Å; Y113-F122 HydrophobicContact CD2-CD2 4.01Å; Y113-F122 HydrophobicContact CD2-CG 4.46Å; Y113-F122 HydrophobicContact CE2-CB 4.48Å; Y113-F122 HydrophobicContact CE2-CD2 4.45Å; Y113-F122 HydrophobicContact CG-CB 3.96Å; D118-F122 PolarHBondContact O-N 3.29Å; Y119-F122 PolarHBondContact O-N 2.95Å; N120-F122 VanDerWaalsContact C-N 3.35Å; N120-F122 PolarHBondContact O-N 2.81Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.94Å; F122-E125 PolarHBondContact O-N 3.48Å; F122-F126 HydrophobicContact CE1-CB 4.44Å; F122-F126 HydrophobicContact CE1-CD2 4.49Å; F122-F126 HydrophobicContact CE2-CB 4.21Å; F122-F126 AromaticContact CE2-CD2 3.97Å; F122-F126 HydrophobicContact CE2-CD2 3.97Å; F122-F126 HydrophobicContact CZ-CB 4.05Å; F122-F126 AromaticContact CZ-CD2 3.57Å; F122-F126 HydrophobicContact CZ-CD2 3.57Å; F122-F126 HydrophobicContact CZ-CE2 4.45Å; F122-F126 HydrophobicContact CZ-CG 4.1Å; F122-F126 VanDerWaalsContact O-CB 3.32Å; F122-F126 WeakPolarHBondContact O-CB 3.34Å; F122-F126 PolarHBondContact O-N 2.89Å; F122-W134 HydrophobicContact CD2-CD2 4.26Å; F122-W134 HydrophobicContact CD2-CE3 4.13Å; F122-W134 HydrophobicContact CD2-CZ3 4.28Å; F122-W134 HydrophobicContact CE2-CB 4.49Å; F122-W134 AromaticContact CE2-CD2 3.56Å; F122-W134 HydrophobicContact CE2-CD2 3.56Å; F122-W134 AromaticContact CE2-CE2 3.82Å; F122-W134 AromaticContact CE2-CE3 3.86Å; F122-W134 HydrophobicContact CE2-CE3 3.86Å; F122-W134 AromaticContact CE2-CG 3.82Å; F122-W134 HydrophobicContact CE2-CG 3.82Å; F122-W134 HydrophobicContact CE2-CZ2 4.36Å; F122-W134 HydrophobicContact CE2-CZ3 4.39Å; F122-W134 HydrophobicContact CZ-CG 4.43Å; F122-L153 HydrophobicContact CE1-CD2 4.31Å; F122-L156 HydrophobicContact CD1-CD2 3.74Å; F122-L156 HydrophobicContact CE1-CD2 3.36Å; F122-L156 HydrophobicContact CZ-CD2 4.38Å; F122-I180 HydrophobicContact CB-CG2 4.42Å; F122-I180 HydrophobicContact CD1-CD1 4.31Å; F122-I180 HydrophobicContact CD2-CD1 3.91Å; F122-I180 HydrophobicContact CD2-CG1 4.28Å; F122-I180 HydrophobicContact CD2-CG2 3.93Å; F122-I180 HydrophobicContact CE1-CD1 3.86Å; F122-I180 HydrophobicContact CE2-CD1 3.38Å; F122-I180 HydrophobicContact CE2-CG1 4Å; F122-I180 HydrophobicContact CE2-CG2 4.48Å; F122-I180 HydrophobicContact CG-CD1 4.34Å; F122-I180 HydrophobicContact CG-CG2 4.07Å; F122-I180 HydrophobicContact CZ-CD1 3.35Å; F122-I180 HydrophobicContact CZ-CG1 4.43Å
123A88.1Confident88.3Confident14 Ų1465.1 Ų65.112%0.11633%0.33CS..Hα-helixtrans-64.7-34.7-178.800000112.4Y119 N120 K127 L153Y119-A123 HydrophobicContact CE1-CB 4.42Å; Y119-A123 WeakPolarHBondContact O-CB 3.48Å; Y119-A123 PolarHBondContact O-N 3.42Å; N120-A123 PolarHBondContact O-N 3.15Å; A123-K127 WeakPolarHBondContact O-CB 3.34Å; A123-K127 VanDerWaalsContact O-CG 3.23Å; A123-K127 WeakPolarHBondContact O-CG 3.27Å; A123-K127 PolarHBondContact O-N 2.97Å; A123-K127 VanDerWaalsContact O-N 3.1Å; A123-L153 HydrophobicContact CB-CD2 4.34Å
124E90.6Very high88.2Confident110 Ų11063.7 Ų63.751%0.51432%0.324SS..Hα-helixtrans-66.9-47172.4-73.7176.9-177.600111.9N120 L121 F122 F126 K127 R128N120-E124 WeakPolarHBondContact O-CG 3.22Å; N120-E124 PolarHBondContact O-N 3.3Å; L121-E124 PolarHBondContact O-N 3.08Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.94Å; E124-F126 VanDerWaalsContact C-N 3.35Å; E124-F126 PolarHBondContact O-N 2.87Å; E124-K127 WeakPolarHBondContact O-CB 3.5Å; E124-K127 PolarHBondContact O-N 3.39Å; E124-R128 PolarHBondContact O-N 2.91Å; E124-R128 VanDerWaalsContact O-N 3.1Å
125E89.4Confident88.2Confident41 Ų4162.9 Ų62.919%0.19232%0.32CS..Hα-helixtrans-63.5-41.3178.2-172.859.9-155.300111.9Y113 L121 F122 K127 R128 N129 W134Y113-E125 HydrophobicContact CE2-CB 4.18Å; Y113-E125 HydrophobicContact CE2-CG 4.25Å; Y113-E125 WeakPolarHBondContact OH-CB 3.49Å; Y113-E125 WeakPolarHBondContact OH-CG 3.46Å; L121-E125 PolarHBondContact O-N 3.28Å; F122-E125 PolarHBondContact O-N 3.48Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 3.49Å; E125-R128 WeakPolarHBondContact O-CB 3.41Å; E125-R128 PolarHBondContact O-N 2.91Å; E125-R128 IonicContact OE2-NH1 3.73Å; E125-N129 PolarHBondContact O-N 3.33Å; E125-N129 VanDerWaalsContact O-N 3.14Å; E125-W134 HydrophobicContact CG-CH2 4.04Å; E125-W134 HydrophobicContact CG-CZ2 4.06Å
126F88.1Confident88.2Confident10 Ų1062.7 Ų62.74%0.04432%0.319CS..Hα-helixtrans-63.3-38.2175.8-167.8-77.4000111.6F122 E124 R128 N129 P130 W134 N151 L153F122-F126 HydrophobicContact CE1-CB 4.44Å; F122-F126 HydrophobicContact CE1-CD2 4.49Å; F122-F126 HydrophobicContact CE2-CB 4.21Å; F122-F126 AromaticContact CE2-CD2 3.97Å; F122-F126 HydrophobicContact CE2-CD2 3.97Å; F122-F126 HydrophobicContact CZ-CB 4.05Å; F122-F126 AromaticContact CZ-CD2 3.57Å; F122-F126 HydrophobicContact CZ-CD2 3.57Å; F122-F126 HydrophobicContact CZ-CE2 4.45Å; F122-F126 HydrophobicContact CZ-CG 4.1Å; F122-F126 VanDerWaalsContact O-CB 3.32Å; F122-F126 WeakPolarHBondContact O-CB 3.34Å; F122-F126 PolarHBondContact O-N 2.89Å; E124-F126 VanDerWaalsContact C-N 3.35Å; E124-F126 PolarHBondContact O-N 2.87Å; F126-R128 VanDerWaalsContact C-N 3.31Å; F126-R128 PolarHBondContact O-N 2.9Å; F126-N129 CarbonylContact O-C 3.48Å; F126-N129 PolarHBondContact O-N 2.83Å; F126-P130 WeakPolarHBondContact O-CA 3.47Å; F126-W134 AromaticContact CD2-CD1 3.62Å; F126-W134 AromaticContact CD2-NE1 3.56Å; F126-W134 AromaticContact CE2-CD1 3.72Å; F126-N151 WeakPolarHBondContact CZ-O 3.5Å; F126-L153 HydrophobicContact CB-CD1 4.27Å; F126-L153 HydrophobicContact CB-CG 4.45Å; F126-L153 HydrophobicContact CD1-CB 4.43Å; F126-L153 HydrophobicContact CD1-CD1 3.22Å; F126-L153 HydrophobicContact CD1-CG 3.5Å; F126-L153 VanDerWaalsContact CD1-CG 3.5Å; F126-L153 HydrophobicContact CE1-CB 4.34Å; F126-L153 HydrophobicContact CE1-CD1 3.82Å; F126-L153 HydrophobicContact CE1-CG 3.87Å; F126-L153 HydrophobicContact CG-CD1 3.96Å; F126-L153 HydrophobicContact CG-CG 3.95Å
127K88.2Confident88.3Confident152 Ų15260.2 Ų60.266%0.66130%0.301SS*.Hα-helixtrans-65.2-33.5175.3-78.3173.2-176.4-178.50112.6A123 E124 E125 N129 L153A123-K127 WeakPolarHBondContact O-CB 3.34Å; A123-K127 VanDerWaalsContact O-CG 3.23Å; A123-K127 WeakPolarHBondContact O-CG 3.27Å; A123-K127 PolarHBondContact O-N 2.97Å; A123-K127 VanDerWaalsContact O-N 3.1Å; E124-K127 WeakPolarHBondContact O-CB 3.5Å; E124-K127 PolarHBondContact O-N 3.39Å; E125-K127 VanDerWaalsContact C-N 3.32Å; E125-K127 PolarHBondContact O-N 3.49Å; K127-N129 VanDerWaalsContact C-N 3.34Å; K127-L153 HydrophobicContact CG-CD1 4.5Å
128R87.8Confident88.3Confident182 Ų18253.9 Ų53.969%0.68727%0.271SS*.Hα-helixtrans-68.3-35175.2-69.9174.8178.3177.7-2.3112E124 E125 F126E124-R128 PolarHBondContact O-N 2.91Å; E124-R128 VanDerWaalsContact O-N 3.1Å; E125-R128 WeakPolarHBondContact O-CB 3.41Å; E125-R128 PolarHBondContact O-N 2.91Å; E125-R128 IonicContact OE2-NH1 3.73Å; F126-R128 VanDerWaalsContact C-N 3.31Å; F126-R128 PolarHBondContact O-N 2.9Å
129N85.4Confident87.9Confident69 Ų6952.7 Ų52.737%0.36927%0.266SS..SBendtrans-128.173.8-178.6-69.8-48.4000111.8E125 F126 K127 S131 S132E125-N129 PolarHBondContact O-N 3.33Å; E125-N129 VanDerWaalsContact O-N 3.14Å; F126-N129 CarbonylContact O-C 3.48Å; F126-N129 PolarHBondContact O-N 2.83Å; K127-N129 VanDerWaalsContact C-N 3.34Å; N129-S131 VanDerWaalsContact C-N 3.27Å; N129-S131 PolarHBondContact O-N 2.85Å; N129-S132 WeakPolarHBondContact O-CB 3.37Å; N129-S132 PolarHBondContact O-N 2.62Å; N129-S132 VanDerWaalsContact O-N 3.12Å; N129-S132 PolarHBondContact O-OG 3.47Å
130P81.7Confident87.3Confident82 Ų8252.6 Ų52.653%0.53229%0.285SS..THydrogen-bonded Turntrans-67.2-24.6-170-1830.2000114.6F126 S132F126-P130 WeakPolarHBondContact O-CA 3.47Å; P130-S132 PolarHBondContact O-N 3.35Å
131S82.1Confident86.6Confident109 Ų10951.7 Ų51.776%0.76228%0.275SS*.THydrogen-bonded Turntrans-80.4-4178.852.30000113.4N129N129-S131 VanDerWaalsContact C-N 3.27Å; N129-S131 PolarHBondContact O-N 2.85Å
132S86.3Confident85.5Confident0 Ų049.6 Ų49.60%027%0.271CS..  trans-78.6139.7-173.960.40000113.9N129 P130 W134 R182N129-S132 WeakPolarHBondContact O-CB 3.37Å; N129-S132 PolarHBondContact O-N 2.62Å; N129-S132 VanDerWaalsContact O-N 3.12Å; N129-S132 PolarHBondContact O-OG 3.47Å; P130-S132 PolarHBondContact O-N 3.35Å; S132-W134 PolarHBondContact OG-NE1 3.3Å; S132-R182 VanDerWaalsContact CB-CZ 3.43Å; S132-R182 PolarHBondContact OG-NH1 2.89Å
133T89Confident84.5Confident17 Ų1758.5 Ų58.510%0.10431%0.305CS..  trans-91.6136.6175.1-49.30000110.3L149 Y183 E185 L233T133-L149 HydrophobicContact CG2-CB 4.42Å; T133-L149 HydrophobicContact CG2-CD2 3.58Å; T133-Y183 HydrophobicContact CG2-CD1 4.08Å; T133-Y183 HydrophobicContact CG2-CG 4.21Å; T133-Y183 VanDerWaalsContact O-CB 3.27Å; T133-Y183 WeakPolarHBondContact O-CB 3.18Å; T133-Y183 PolarHBondContact O-N 3.29Å; T133-E185 WeakPolarHBondContact CB-OE1 3.19Å; T133-E185 PolarHBondContact N-OE1 3.01Å; T133-E185 PolarHBondContact OG1-OE1 3.27Å; T133-L233 HydrophobicContact CG2-CD2 3.96Å
134W91Very high83.6Confident0 Ų058 Ų580%030%0.302CS..EExtended strand (participates in β ladder)trans-124.6149.4178.8-63.876.6000109.8V111 Y113 F122 E125 F126 S132 L149 I150 I180 S181 R182V111-W134 HydrophobicContact CB-CH2 4.43Å; V111-W134 HydrophobicContact CG1-CH2 4.04Å; V111-W134 HydrophobicContact CG1-CZ3 4.31Å; Y113-W134 HydrophobicContact CD2-CH2 4.22Å; Y113-W134 AromaticContact CD2-CZ3 3.85Å; Y113-W134 HydrophobicContact CD2-CZ3 3.85Å; Y113-W134 AromaticContact CE2-CH2 3.69Å; Y113-W134 HydrophobicContact CE2-CH2 3.69Å; Y113-W134 AromaticContact CE2-CZ3 3.79Å; Y113-W134 HydrophobicContact CE2-CZ3 3.79Å; F122-W134 HydrophobicContact CD2-CD2 4.26Å; F122-W134 HydrophobicContact CD2-CE3 4.13Å; F122-W134 HydrophobicContact CD2-CZ3 4.28Å; F122-W134 HydrophobicContact CE2-CB 4.49Å; F122-W134 AromaticContact CE2-CD2 3.56Å; F122-W134 HydrophobicContact CE2-CD2 3.56Å; F122-W134 AromaticContact CE2-CE2 3.82Å; F122-W134 AromaticContact CE2-CE3 3.86Å; F122-W134 HydrophobicContact CE2-CE3 3.86Å; F122-W134 AromaticContact CE2-CG 3.82Å; F122-W134 HydrophobicContact CE2-CG 3.82Å; F122-W134 HydrophobicContact CE2-CZ2 4.36Å; F122-W134 HydrophobicContact CE2-CZ3 4.39Å; F122-W134 HydrophobicContact CZ-CG 4.43Å; E125-W134 HydrophobicContact CG-CH2 4.04Å; E125-W134 HydrophobicContact CG-CZ2 4.06Å; F126-W134 AromaticContact CD2-CD1 3.62Å; F126-W134 AromaticContact CD2-NE1 3.56Å; F126-W134 AromaticContact CE2-CD1 3.72Å; S132-W134 PolarHBondContact OG-NE1 3.3Å; W134-L149 CarbonylContact O-C 3.54Å; W134-L149 WeakPolarHBondContact O-CA 3.4Å; W134-I150 PolarHBondContact N-O 3.41Å; W134-I150 PolarHBondContact O-N 3.32Å; W134-I180 HydrophobicContact CB-CD1 4.01Å; W134-I180 HydrophobicContact CB-CG1 3.86Å; W134-I180 HydrophobicContact CD2-CG1 4.49Å; W134-I180 HydrophobicContact CE3-CG1 4.05Å; W134-I180 HydrophobicContact CG-CG1 4.44Å; W134-S181 CarbonylContact C-O 3.57Å; W134-S181 WeakPolarHBondContact CA-O 3.35Å; W134-S181 VanDerWaalsContact CE3-C 3.4Å; W134-R182 HydrophobicContact CE3-CB 4.12Å; W134-R182 VanDerWaalsContact CE3-N 3.3Å; W134-R182 HydrophobicContact CH2-CB 4.11Å; W134-R182 HydrophobicContact CZ3-CB 3.91Å
135I90.3Very high82.7Confident12 Ų1257.1 Ų57.16%0.06230%0.304CS..EExtended strand (participates in β ladder)trans-115120.6177.3-173165.9000109K137 I147 S181 Y183 L240I135-K137 HydrophobicContact CG1-CG 4.15Å; I135-I147 HydrophobicContact CD1-CG2 3.62Å; I135-I147 HydrophobicContact CG1-CG2 3.58Å; I135-S181 WeakPolarHBondContact CG2-O 3.4Å; I135-S181 PolarHBondContact N-O 3.19Å; I135-S181 PolarHBondContact O-N 2.89Å; I135-Y183 HydrophobicContact CB-CD2 4.2Å; I135-Y183 HydrophobicContact CD1-CD2 4.25Å; I135-Y183 HydrophobicContact CG2-CD2 4.44Å; I135-L240 HydrophobicContact CD1-CD2 4.23Å
136M89.8Confident82.1Confident0 Ų056.8 Ų56.80%031%0.311CS..EExtended strand (participates in β ladder)trans-90.1132.5172.2-78.3-163.162.400109.9L115 I147 F148 I150 L156 W159 Y178 V179 I180L115-M136 HydrophobicContact CD1-CE 3.72Å; L115-M136 HydrophobicContact CD1-SD 4.2Å; M136-I147 VanDerWaalsContact O-CA 3.3Å; M136-I147 WeakPolarHBondContact O-CA 3.24Å; M136-F148 HydrophobicContact CB-CD1 4.11Å; M136-F148 HydrophobicContact CB-CD2 4.23Å; M136-F148 HydrophobicContact CB-CE1 3.76Å; M136-F148 HydrophobicContact CB-CE2 3.93Å; M136-F148 HydrophobicContact CB-CG 4.33Å; M136-F148 HydrophobicContact CB-CZ 3.67Å; M136-F148 HydrophobicContact CE-CE1 4.35Å; M136-F148 HydrophobicContact CE-CZ 3.75Å; M136-F148 HydrophobicContact CG-CE2 4.1Å; M136-F148 HydrophobicContact CG-CZ 4.04Å; M136-F148 PolarHBondContact N-O 3Å; M136-F148 PolarHBondContact O-N 3.45Å; M136-F148 HydrophobicContact SD-CE1 4.31Å; M136-F148 HydrophobicContact SD-CE2 3.58Å; M136-F148 VanDerWaalsContact SD-CE2 3.58Å; M136-F148 HydrophobicContact SD-CZ 3.36Å; M136-F148 WeakPolarHBondContact SD-CZ 3.39Å; M136-I150 HydrophobicContact CG-CD1 3.71Å; M136-I150 HydrophobicContact CG-CG1 4.4Å; M136-I150 HydrophobicContact SD-CD1 3.33Å; M136-I150 WeakPolarHBondContact SD-CD1 3.47Å; M136-I150 HydrophobicContact SD-CG1 4.46Å; M136-L156 HydrophobicContact CE-CD1 4.14Å; M136-L156 HydrophobicContact SD-CD1 3.36Å; M136-L156 WeakPolarHBondContact SD-CD1 3.33Å; M136-W159 HydrophobicContact CE-CD2 4.06Å; M136-W159 HydrophobicContact CE-CE3 4.08Å; M136-W159 HydrophobicContact CE-CH2 4.04Å; M136-W159 HydrophobicContact CE-CZ2 4.02Å; M136-W159 HydrophobicContact CE-CZ3 4.06Å; M136-Y178 HydrophobicContact CB-CD1 4.34Å; M136-Y178 HydrophobicContact CE-CD1 3.66Å; M136-Y178 HydrophobicContact CE-CG 3.72Å; M136-V179 WeakPolarHBondContact CA-O 3.19Å; M136-I180 HydrophobicContact CG-CB 4.07Å; M136-I180 HydrophobicContact CG-CD1 3.84Å; M136-I180 HydrophobicContact CG-CG1 3.91Å; M136-I180 HydrophobicContact SD-CD1 4.3Å
137K88.9Confident81.8Confident22 Ų2257.4 Ų57.410%0.09631%0.314CS..EExtended strand (participates in β ladder)trans-135137.9177.6-49.3177.7-176.91720109.5K73 I135 I147 Y178 V179K73-K137 HydrophobicContact CD-CB 4.13Å; K73-K137 HydrophobicContact CD-CD 4.18Å; I135-K137 HydrophobicContact CG1-CG 4.15Å; K137-I147 HydrophobicContact CB-CG1 4.31Å; K137-I147 HydrophobicContact CD-CD1 4.28Å; K137-I147 HydrophobicContact CG-CD1 4.05Å; K137-I147 HydrophobicContact CG-CG1 4.07Å; K137-I147 HydrophobicContact CG-CG2 4.32Å; K137-Y178 VanDerWaalsContact C-CD1 3.42Å; K137-Y178 WeakPolarHBondContact O-CA 3.4Å; K137-Y178 WeakPolarHBondContact O-CD1 3.13Å; K137-V179 HydrophobicContact CB-CG2 3.92Å; K137-V179 PolarHBondContact N-O 3.01Å; K137-V179 WeakPolarHBondContact O-CG2 3.5Å; K137-V179 PolarHBondContact O-N 2.95Å
138P86.7Confident81.5Confident4 Ų453.1 Ų53.13%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-64.2138169.225.8-34.4000110.5G140 K141 V145 G146 Y178P138-G140 VanDerWaalsContact C-N 3.31Å; P138-G140 PolarHBondContact O-N 3.27Å; P138-K141 HydrophobicContact CB-CB 4.04Å; P138-K141 HydrophobicContact CB-CD 4.09Å; P138-K141 HydrophobicContact CB-CG 4.14Å; P138-K141 HydrophobicContact CG-CB 3.65Å; P138-K141 HydrophobicContact CG-CD 4.13Å; P138-K141 HydrophobicContact CG-CG 4.2Å; P138-V145 VanDerWaalsContact CG-O 3.28Å; P138-V145 WeakPolarHBondContact CG-O 3.46Å; P138-G146 WeakPolarHBondContact CD-O 3.35Å; P138-Y178 HydrophobicContact CB-CD1 4.48Å; P138-Y178 HydrophobicContact CB-CE1 4.08Å; P138-Y178 HydrophobicContact CG-CE1 4.45Å
139S81.6Confident81.4Confident5 Ų545.3 Ų45.34%0.03527%0.268CS..SBendtrans-64.5-32.6-172.6-62.90000113.8K73 S177K73-S139 PolarHBondContact N-O 3.08Å; S139-S177 WeakPolarHBondContact CB-O 3.36Å; S139-S177 PolarHBondContact N-O 3.3Å; S139-S177 VanDerWaalsContact OG-C 3.29Å; S139-S177 PolarHBondContact OG-O 3.43Å; S139-S177 PolarHBondContact OG-OG 3.19Å
140G75Confident81.4Confident65 Ų6542 Ų4267%0.6725%0.25SS*.SBendtrans-116.80.4-174.300000116.2P138P138-G140 VanDerWaalsContact C-N 3.31Å; P138-G140 PolarHBondContact O-N 3.27Å
141K75.4Confident81.4Confident98 Ų9839.1 Ų39.143%0.42623%0.23SC..  trans-97.5156.7177-58174.6171.8159.80110.7P138 D176P138-K141 HydrophobicContact CB-CB 4.04Å; P138-K141 HydrophobicContact CB-CD 4.09Å; P138-K141 HydrophobicContact CB-CG 4.14Å; P138-K141 HydrophobicContact CG-CB 3.65Å; P138-K141 HydrophobicContact CG-CD 4.13Å; P138-K141 HydrophobicContact CG-CG 4.2Å; K141-D176 IonicContact NZ-OD2 2.95Å; K141-D176 PolarHBondContact NZ-OD2 3.46Å
142A69.5Low81.4Confident49 Ų4941.3 Ų41.341%0.40522%0.222SC..  trans-126.8-178.1-178.400000111.1G144 V145A142-G144 VanDerWaalsContact C-N 3.28Å; A142-G144 PolarHBondContact O-N 3.1Å; A142-V145 PolarHBondContact O-N 3.14Å
143R70.2Confident81Confident187 Ų18743.2 Ų43.271%0.70623%0.232SC*.THydrogen-bonded Turntrans6718.1174.3-50.7178.9-177.1172.82115.8V145 S244R143-V145 VanDerWaalsContact C-N 3.29Å; R143-V145 PolarHBondContact O-N 3.19Å; R143-S244 PolarHBondContact O-OG 3.11Å
144G68.4Low80.3Confident5 Ų545.9 Ų45.95%0.05225%0.251CS..THydrogen-bonded Turntrans81.73.117900000114.9A142 G146 I147A142-G144 VanDerWaalsContact C-N 3.28Å; A142-G144 PolarHBondContact O-N 3.1Å; G144-G146 PolarHBondContact O-N 2.84Å; G144-I147 PolarHBondContact O-N 3.03Å
145V71Confident79.6Confident91 Ų9148.4 Ų48.455%0.55226%0.263SS*.THydrogen-bonded Turntrans-71.4129.6-179.6-179.30000110.2P138 A142 R143 I147P138-V145 VanDerWaalsContact CG-O 3.28Å; P138-V145 WeakPolarHBondContact CG-O 3.46Å; A142-V145 PolarHBondContact O-N 3.14Å; R143-V145 VanDerWaalsContact C-N 3.29Å; R143-V145 PolarHBondContact O-N 3.19Å; V145-I147 VanDerWaalsContact C-N 3.3Å
146G77.3Confident78.9Confident33 Ų3347.9 Ų47.934%0.3426%0.26SS..THydrogen-bonded Turntrans7712.6178.600000114.6P138 G144P138-G146 WeakPolarHBondContact CD-O 3.35Å; G144-G146 PolarHBondContact O-N 2.84Å
147I82.2Confident78Confident23 Ų2353.5 Ų53.512%0.11829%0.285CS..  trans-85.9132.7175.4-59.6-172.6000109.8I135 M136 K137 G144 V145 L240I135-I147 HydrophobicContact CD1-CG2 3.62Å; I135-I147 HydrophobicContact CG1-CG2 3.58Å; M136-I147 VanDerWaalsContact O-CA 3.3Å; M136-I147 WeakPolarHBondContact O-CA 3.24Å; K137-I147 HydrophobicContact CB-CG1 4.31Å; K137-I147 HydrophobicContact CD-CD1 4.28Å; K137-I147 HydrophobicContact CG-CD1 4.05Å; K137-I147 HydrophobicContact CG-CG1 4.07Å; K137-I147 HydrophobicContact CG-CG2 4.32Å; G144-I147 PolarHBondContact O-N 3.03Å; V145-I147 VanDerWaalsContact C-N 3.3Å; I147-L240 HydrophobicContact CB-CD1 4.24Å; I147-L240 HydrophobicContact CD1-CD2 4.5Å; I147-L240 HydrophobicContact CG2-CD1 4.23Å; I147-L240 HydrophobicContact CG2-CD2 3.87Å
148F82.8Confident76.9Confident62 Ų6260.3 Ų60.327%0.27231%0.31SS..EExtended strand (participates in β ladder)trans-146.1153.2173.358.4-81.9000111.1M136 I150 W159 Y178M136-F148 HydrophobicContact CB-CD1 4.11Å; M136-F148 HydrophobicContact CB-CD2 4.23Å; M136-F148 HydrophobicContact CB-CE1 3.76Å; M136-F148 HydrophobicContact CB-CE2 3.93Å; M136-F148 HydrophobicContact CB-CG 4.33Å; M136-F148 HydrophobicContact CB-CZ 3.67Å; M136-F148 HydrophobicContact CE-CE1 4.35Å; M136-F148 HydrophobicContact CE-CZ 3.75Å; M136-F148 HydrophobicContact CG-CE2 4.1Å; M136-F148 HydrophobicContact CG-CZ 4.04Å; M136-F148 PolarHBondContact N-O 3Å; M136-F148 PolarHBondContact O-N 3.45Å; M136-F148 HydrophobicContact SD-CE1 4.31Å; M136-F148 HydrophobicContact SD-CE2 3.58Å; M136-F148 VanDerWaalsContact SD-CE2 3.58Å; M136-F148 HydrophobicContact SD-CZ 3.36Å; M136-F148 WeakPolarHBondContact SD-CZ 3.39Å; F148-I150 HydrophobicContact CD2-CD1 4.3Å; F148-I150 HydrophobicContact CD2-CG1 3.94Å; F148-I150 HydrophobicContact CE2-CD1 3.75Å; F148-I150 HydrophobicContact CE2-CG1 3.9Å; F148-W159 HydrophobicContact CZ-CB 4.39Å; F148-W159 AromaticContact CZ-CD1 3.58Å; F148-W159 HydrophobicContact CZ-CD2 4.39Å; F148-W159 AromaticContact CZ-CG 3.87Å; F148-W159 HydrophobicContact CZ-CG 3.87Å; F148-W159 AromaticContact CZ-NE1 3.95Å; F148-Y178 HydrophobicContact CE1-CD1 4.47Å; F148-Y178 HydrophobicContact CE1-CE1 4Å
149L85.2Confident76Confident18 Ų1863.8 Ų63.89%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-92.8147.7177.7-70124000110.6T133 W134 Y183 L233 H239T133-L149 HydrophobicContact CG2-CB 4.42Å; T133-L149 HydrophobicContact CG2-CD2 3.58Å; W134-L149 CarbonylContact O-C 3.54Å; W134-L149 WeakPolarHBondContact O-CA 3.4Å; L149-Y183 HydrophobicContact CD2-CD1 4.13Å; L149-Y183 HydrophobicContact CD2-CD2 3.55Å; L149-Y183 HydrophobicContact CD2-CE1 4.37Å; L149-Y183 HydrophobicContact CD2-CE2 3.81Å; L149-Y183 HydrophobicContact CD2-CG 3.73Å; L149-L233 HydrophobicContact CB-CD2 4.43Å; L149-L233 VanDerWaalsContact CD1-O 3.3Å; L149-L233 WeakPolarHBondContact CD1-O 3.44Å; L149-L233 HydrophobicContact CD2-CD2 4.27Å; L149-H239 HydrophobicContact CD1-CB 3.89Å
150I84.7Confident75.4Confident0 Ų066.4 Ų66.40%034%0.341CS..EExtended strand (participates in β ladder)trans-130.4126.4176.5-61.1-176.6000108.4W134 M136 F148 R152 Q155 L156 I180W134-I150 PolarHBondContact N-O 3.41Å; W134-I150 PolarHBondContact O-N 3.32Å; M136-I150 HydrophobicContact CG-CD1 3.71Å; M136-I150 HydrophobicContact CG-CG1 4.4Å; M136-I150 HydrophobicContact SD-CD1 3.33Å; M136-I150 WeakPolarHBondContact SD-CD1 3.47Å; M136-I150 HydrophobicContact SD-CG1 4.46Å; F148-I150 HydrophobicContact CD2-CD1 4.3Å; F148-I150 HydrophobicContact CD2-CG1 3.94Å; F148-I150 HydrophobicContact CE2-CD1 3.75Å; F148-I150 HydrophobicContact CE2-CG1 3.9Å; I150-R152 WeakPolarHBondContact CG2-O 3.27Å; I150-Q155 HydrophobicContact CG2-CB 4.31Å; I150-L156 HydrophobicContact CD1-CB 4.05Å; I150-L156 HydrophobicContact CD1-CD1 3.86Å; I150-I180 HydrophobicContact CD1-CD1 4.26Å
151N82.8Confident74.6Confident22 Ų2272.1 Ų72.112%0.11834%0.342CS..SBendtrans-124.21.8170.768.5-8.4000112.3F126 Q155 V230 L233F126-N151 WeakPolarHBondContact CZ-O 3.5Å; N151-Q155 PolarHBondContact OD1-NE2 3.08Å; N151-Q155 PolarHBondContact OD1-OE1 3.48Å; N151-Q155 VanDerWaalsContact OD1-OE1 3.09Å; N151-V230 WeakPolarHBondContact ND2-CG1 3.43Å; N151-L233 HydrophobicContact CB-CD1 4.02Å; N151-L233 WeakPolarHBondContact ND2-CD1 3.47Å
152R80.7Confident73.6Confident154 Ų15472.1 Ų72.158%0.58135%0.347SS*.SBendtrans-139.7131.2174.9-63.6178.5-174.3-173.51.7110.5I150 S154 Q155I150-R152 WeakPolarHBondContact CG2-O 3.27Å; R152-S154 PolarHBondContact O-N 3.48Å; R152-Q155 HydrophobicContact CB-CG 4.38Å; R152-Q155 VanDerWaalsContact N-OE1 3.14Å; R152-Q155 WeakPolarHBondContact O-CB 3.02Å; R152-Q155 PolarHBondContact O-N 2.8Å
153L78Confident72.8Confident40 Ų4072.7 Ų72.721%0.20936%0.358CS..Hα-helixtrans-52-28174.4-95.5152.8000114F122 A123 F126 K127 Q155 L156 K157F122-L153 HydrophobicContact CE1-CD2 4.31Å; A123-L153 HydrophobicContact CB-CD2 4.34Å; F126-L153 HydrophobicContact CB-CD1 4.27Å; F126-L153 HydrophobicContact CB-CG 4.45Å; F126-L153 HydrophobicContact CD1-CB 4.43Å; F126-L153 HydrophobicContact CD1-CD1 3.22Å; F126-L153 HydrophobicContact CD1-CG 3.5Å; F126-L153 VanDerWaalsContact CD1-CG 3.5Å; F126-L153 HydrophobicContact CE1-CB 4.34Å; F126-L153 HydrophobicContact CE1-CD1 3.82Å; F126-L153 HydrophobicContact CE1-CG 3.87Å; F126-L153 HydrophobicContact CG-CD1 3.96Å; F126-L153 HydrophobicContact CG-CG 3.95Å; K127-L153 HydrophobicContact CG-CD1 4.5Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 2.82Å; L153-K157 PolarHBondContact O-N 3.37Å
154S76Confident71.5Confident74 Ų7471.4 Ų71.452%0.51736%0.357SS..Hα-helixtrans-64.4-34.1176.452.80000113.1R152 L156 K157 R158R152-S154 PolarHBondContact O-N 3.48Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 2.91Å; S154-K157 PolarHBondContact O-N 3.43Å; S154-R158 PolarHBondContact O-N 2.91Å; S154-R158 VanDerWaalsContact O-N 3.09Å
155Q76.1Confident69.8Low52 Ų5276.1 Ų76.124%0.24339%0.389CS..Hα-helixtrans-63-38.6176.2-66.3168.4-43.700110.8I150 N151 R152 L153 R158 W159I150-Q155 HydrophobicContact CG2-CB 4.31Å; N151-Q155 PolarHBondContact OD1-NE2 3.08Å; N151-Q155 PolarHBondContact OD1-OE1 3.48Å; N151-Q155 VanDerWaalsContact OD1-OE1 3.09Å; R152-Q155 HydrophobicContact CB-CG 4.38Å; R152-Q155 VanDerWaalsContact N-OE1 3.14Å; R152-Q155 WeakPolarHBondContact O-CB 3.02Å; R152-Q155 PolarHBondContact O-N 2.8Å; L153-Q155 VanDerWaalsContact C-N 3.33Å; L153-Q155 PolarHBondContact O-N 2.92Å; Q155-R158 PolarHBondContact O-N 3.49Å; Q155-W159 PolarHBondContact O-N 3.35Å; Q155-W159 VanDerWaalsContact O-N 3.17Å
156L74.4Confident67.9Low1 Ų174 Ų741%0.00539%0.386CS..Hα-helixtrans-67.4-38.7176.5-172.261.8000112.4L115 Y119 F122 M136 I150 L153 S154 R158 W159 S160L115-L156 HydrophobicContact CD1-CD1 3.98Å; Y119-L156 HydrophobicContact CD2-CD2 3.88Å; Y119-L156 HydrophobicContact CE2-CD2 3.46Å; Y119-L156 VanDerWaalsContact CE2-CD2 3.46Å; Y119-L156 HydrophobicContact CE2-CG 4.06Å; F122-L156 HydrophobicContact CD1-CD2 3.74Å; F122-L156 HydrophobicContact CE1-CD2 3.36Å; F122-L156 HydrophobicContact CZ-CD2 4.38Å; M136-L156 HydrophobicContact CE-CD1 4.14Å; M136-L156 HydrophobicContact SD-CD1 3.36Å; M136-L156 WeakPolarHBondContact SD-CD1 3.33Å; I150-L156 HydrophobicContact CD1-CB 4.05Å; I150-L156 HydrophobicContact CD1-CD1 3.86Å; L153-L156 PolarHBondContact O-N 2.82Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 2.91Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 2.96Å; L156-W159 HydrophobicContact CD1-CE3 3.86Å; L156-W159 HydrophobicContact CD1-CZ3 4.41Å; L156-W159 PolarHBondContact O-N 3.47Å; L156-S160 PolarHBondContact O-N 3.02Å
157K71Confident65.8Low119 Ų11980.2 Ų80.252%0.51740%0.404SS..Hα-helixtrans-63.8-36.9175.8-72.7-174.5-179.7-179.80112L153 S154 S160 R161L153-K157 PolarHBondContact O-N 3.37Å; S154-K157 PolarHBondContact O-N 3.43Å; K157-S160 PolarHBondContact O-N 2.79Å; K157-R161 WeakPolarHBondContact O-CG 3.47Å; K157-R161 PolarHBondContact O-N 3.3Å; K157-R161 VanDerWaalsContact O-N 3.1Å
158R65.7Low63.4Low165 Ų16587.9 Ų87.962%0.62344%0.443SS*.Hα-helixtrans-62.3-50.1174.9-169.7175.769.8-163.21.8110.6S154 Q155 L156 S160 R161 D162S154-R158 PolarHBondContact O-N 2.91Å; S154-R158 VanDerWaalsContact O-N 3.09Å; Q155-R158 PolarHBondContact O-N 3.49Å; L156-R158 VanDerWaalsContact C-N 3.31Å; L156-R158 PolarHBondContact O-N 2.96Å; R158-S160 VanDerWaalsContact C-N 3.33Å; R158-S160 PolarHBondContact O-N 2.73Å; R158-R161 PolarHBondContact O-N 2.67Å; R158-D162 WeakPolarHBondContact CG-OD2 3.21Å; R158-D162 VanDerWaalsContact O-CG 3.3Å; R158-D162 PolarHBondContact O-N 3.48Å
159W68.6Low60.9Low76 Ų7688.4 Ų88.429%0.28847%0.467SS..Hα-helixtrans-55.5-44.1175.217481.3000113.3L115 M136 F148 Q155 L156 R161 D162 G163 Y178L115-W159 HydrophobicContact CD1-CZ3 4.5Å; M136-W159 HydrophobicContact CE-CD2 4.06Å; M136-W159 HydrophobicContact CE-CE3 4.08Å; M136-W159 HydrophobicContact CE-CH2 4.04Å; M136-W159 HydrophobicContact CE-CZ2 4.02Å; M136-W159 HydrophobicContact CE-CZ3 4.06Å; F148-W159 HydrophobicContact CZ-CB 4.39Å; F148-W159 AromaticContact CZ-CD1 3.58Å; F148-W159 HydrophobicContact CZ-CD2 4.39Å; F148-W159 AromaticContact CZ-CG 3.87Å; F148-W159 HydrophobicContact CZ-CG 3.87Å; F148-W159 AromaticContact CZ-NE1 3.95Å; Q155-W159 PolarHBondContact O-N 3.35Å; Q155-W159 VanDerWaalsContact O-N 3.17Å; L156-W159 HydrophobicContact CD1-CE3 3.86Å; L156-W159 HydrophobicContact CD1-CZ3 4.41Å; L156-W159 PolarHBondContact O-N 3.47Å; W159-R161 VanDerWaalsContact C-N 3.29Å; W159-R161 PolarHBondContact O-N 3.48Å; W159-D162 PolarHBondContact O-N 3.48Å; W159-G163 PolarHBondContact O-N 2.99Å; W159-G163 VanDerWaalsContact O-N 3.08Å; W159-Y178 HydrophobicContact CH2-CD2 4.02Å; W159-Y178 HydrophobicContact CH2-CG 4.38Å; W159-Y178 AromaticContact CZ2-CD2 3.38Å; W159-Y178 HydrophobicContact CZ2-CD2 3.38Å; W159-Y178 AromaticContact CZ2-CE2 3.63Å; W159-Y178 HydrophobicContact CZ2-CE2 3.63Å; W159-Y178 AromaticContact CZ2-CG 3.9Å; W159-Y178 HydrophobicContact CZ2-CG 3.9Å
160S67.6Low58.1Low61 Ų6192 Ų9243%0.42749%0.489SS..Hα-helixtrans-65.9-29.1178-174.20000113.4L156 K157 R158L156-S160 PolarHBondContact O-N 3.02Å; K157-S160 PolarHBondContact O-N 2.79Å; R158-S160 VanDerWaalsContact C-N 3.33Å; R158-S160 PolarHBondContact O-N 2.73Å
161R59.3Low55.3Low185 Ų18596.8 Ų96.870%0.69852%0.518SS*.Hα-helixtrans-81.3-42.3175.4-73.9-177.6-172.3-168.81.3112.3K157 R158 W159 G163 K164 S165K157-R161 WeakPolarHBondContact O-CG 3.47Å; K157-R161 PolarHBondContact O-N 3.3Å; K157-R161 VanDerWaalsContact O-N 3.1Å; R158-R161 PolarHBondContact O-N 2.67Å; W159-R161 VanDerWaalsContact C-N 3.29Å; W159-R161 PolarHBondContact O-N 3.48Å; R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 2.97Å; R161-K164 WeakPolarHBondContact O-CA 3.47Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 3.45Å; R161-S165 PolarHBondContact O-N 2.95Å
162D54.6Low52.9Low97 Ų97102.3 Ų102.352%0.51956%0.556SS.*Hα-helixtrans-64.6-35.1179.9-64.8-17.7000110.9R158 W159 K164 S165 G166R158-D162 WeakPolarHBondContact CG-OD2 3.21Å; R158-D162 VanDerWaalsContact O-CG 3.3Å; R158-D162 PolarHBondContact O-N 3.48Å; W159-D162 PolarHBondContact O-N 3.48Å; D162-K164 PolarHBondContact O-N 3.47Å; D162-S165 PolarHBondContact O-N 3.47Å; D162-G166 PolarHBondContact O-N 2.81Å
163G51.5Low50.6Low62 Ų62100.1 Ų100.164%0.63956%0.56SS**Hα-helixtrans-66.7-11.9170.800000115.1W159 R161W159-G163 PolarHBondContact O-N 2.99Å; W159-G163 VanDerWaalsContact O-N 3.08Å; R161-G163 VanDerWaalsContact C-N 3.26Å; R161-G163 PolarHBondContact O-N 2.97Å
164K43.4Very low48.8Very low159 Ų159103.6 Ų103.669%0.69159%0.586SS**Hα-helixtrans-95.3-16.2169.2-70-177.6177.9-176.70113.1R161 D162R161-K164 WeakPolarHBondContact O-CA 3.47Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 3.45Å; D162-K164 PolarHBondContact O-N 3.47Å
165S33.9Very low47.8Very low104 Ų104109.1 Ų109.173%0.72760%0.596SS**Hα-helixtrans-102.9-8.7-172.8-158.30000114.3R161 D162R161-S165 PolarHBondContact O-N 2.95Å; D162-S165 PolarHBondContact O-N 3.47Å
166G30.7Very low47.2Very low46 Ų46110.3 Ų110.347%0.47460%0.603SS.*SBendtrans-96.5117.817300000111.7D162D162-G166 PolarHBondContact O-N 2.81Å
167F32Very low47.5Very low164 Ų164112 Ų11272%0.71962%0.615SS**  trans8471.2173.1-54.1-78.9000117.6G169 T170F167-G169 PolarHBondContact O-N 3.02Å; F167-T170 VanDerWaalsContact CB-OG1 3.32Å; F167-T170 WeakPolarHBondContact CB-OG1 3.47Å; F167-T170 HydrophobicContact CD1-CG2 4.48Å
168I31.9Very low48.3Very low184 Ų184107.5 Ų107.594%0.94460%0.595SS**THydrogen-bonded Turntrans-64.388.2141.9-58.9168.7000106.2
169G30.2Very low49.6Very low74 Ų7499.7 Ų99.776%0.76357%0.566SS**THydrogen-bonded Turntrans156.2-15175.300000117.2F167F167-G169 PolarHBondContact O-N 3.02Å
170T26Very low50.7Low93 Ų9396.1 Ų96.157%0.57155%0.552SS**SBendtrans-118.7130.8175.8570000110.1F167F167-T170 VanDerWaalsContact CB-OG1 3.32Å; F167-T170 WeakPolarHBondContact CB-OG1 3.47Å; F167-T170 HydrophobicContact CD1-CG2 4.48Å
171T27Very low51.9Low100 Ų10093.8 Ų93.861%0.61354%0.536SS*.  trans-35.9144.8174.141.80000112.9T173T171-T173 PolarHBondContact O-N 3.41Å; T171-T173 PolarHBondContact O-OG1 3.25Å; T171-T173 PolarHBondContact OG1-OG1 2.87Å
172P32.2Very low53.5Low139 Ų13988.5 Ų88.590%0.90352%0.516SS*.  trans-72.154.9176.932.2-34.9000110.9C174P172-C174 PolarHBondContact O-N 2.71Å
173T32.4Very low55.3Low108 Ų10884.5 Ų84.566%0.66349%0.494SS*.  trans-93.396.7179.545.90000107.4T171T171-T173 PolarHBondContact O-N 3.41Å; T171-T173 PolarHBondContact O-OG1 3.25Å; T171-T173 PolarHBondContact OG1-OG1 2.87Å
174C40.4Very low57.2Low113 Ų11382.7 Ų82.776%0.76447%0.469SS*.  trans70.392.1171.3-127.90000115.5P172 D176P172-C174 PolarHBondContact O-N 2.71Å; C174-D176 PolarHBondContact O-N 2.86Å; C174-D176 VanDerWaalsContact O-N 3.08Å
175R54.3Low59.3Low190 Ų19077.8 Ų77.872%0.71745%0.449SS*.PPolyproline II helixtrans-55117150.3-77.1-174.2-176.9160.96.2106.7S177R175-S177 PolarHBondContact O-N 3.22Å
176D64Low62.1Low76 Ų7677.4 Ų77.441%0.40644%0.439SS..PPolyproline II helixtrans-51.4118.9173.6-87.3-18.6000108K141 C174 Y178K141-D176 IonicContact NZ-OD2 2.95Å; K141-D176 PolarHBondContact NZ-OD2 3.46Å; C174-D176 PolarHBondContact O-N 2.86Å; C174-D176 VanDerWaalsContact O-N 3.08Å; D176-Y178 HydrophobicContact CB-CD2 4.29Å; D176-Y178 HydrophobicContact CB-CE2 3.75Å; D176-Y178 VanDerWaalsContact O-CD2 3.27Å; D176-Y178 WeakPolarHBondContact O-CD2 3.38Å
177S81.4Confident65.1Low36 Ų3675.4 Ų75.425%0.25242%0.418SS..PPolyproline II helixtrans-67.3135.4172172.60000108.3S139 R175S139-S177 WeakPolarHBondContact CB-O 3.36Å; S139-S177 PolarHBondContact N-O 3.3Å; S139-S177 VanDerWaalsContact OG-C 3.29Å; S139-S177 PolarHBondContact OG-O 3.43Å; S139-S177 PolarHBondContact OG-OG 3.19Å; R175-S177 PolarHBondContact O-N 3.22Å
178Y88.2Confident68.2Low25 Ų2568.3 Ų68.310%0.09839%0.387CS..EExtended strand (participates in β ladder)trans-116.6146.6174.4-82.5-106.2000110L115 M136 K137 P138 F148 W159 D176L115-Y178 PolarHBondContact N-O 2.78Å; M136-Y178 HydrophobicContact CB-CD1 4.34Å; M136-Y178 HydrophobicContact CE-CD1 3.66Å; M136-Y178 HydrophobicContact CE-CG 3.72Å; K137-Y178 VanDerWaalsContact C-CD1 3.42Å; K137-Y178 WeakPolarHBondContact O-CA 3.4Å; K137-Y178 WeakPolarHBondContact O-CD1 3.13Å; P138-Y178 HydrophobicContact CB-CD1 4.48Å; P138-Y178 HydrophobicContact CB-CE1 4.08Å; P138-Y178 HydrophobicContact CG-CE1 4.45Å; F148-Y178 HydrophobicContact CE1-CD1 4.47Å; F148-Y178 HydrophobicContact CE1-CE1 4Å; W159-Y178 HydrophobicContact CH2-CD2 4.02Å; W159-Y178 HydrophobicContact CH2-CG 4.38Å; W159-Y178 AromaticContact CZ2-CD2 3.38Å; W159-Y178 HydrophobicContact CZ2-CD2 3.38Å; W159-Y178 AromaticContact CZ2-CE2 3.63Å; W159-Y178 HydrophobicContact CZ2-CE2 3.63Å; W159-Y178 AromaticContact CZ2-CG 3.9Å; W159-Y178 HydrophobicContact CZ2-CG 3.9Å; D176-Y178 HydrophobicContact CB-CD2 4.29Å; D176-Y178 HydrophobicContact CB-CE2 3.75Å; D176-Y178 VanDerWaalsContact O-CD2 3.27Å; D176-Y178 WeakPolarHBondContact O-CD2 3.38Å
179V91.4Very high71.1Confident2 Ų262.7 Ų62.71%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-101.9134.3163-68.80000108.6K73 D74 T112 Y113 M136 K137K73-V179 HydrophobicContact CB-CG1 4.29Å; K73-V179 HydrophobicContact CB-CG2 3.82Å; K73-V179 HydrophobicContact CD-CG2 4.12Å; D74-V179 HydrophobicContact CB-CG1 3.93Å; T112-V179 HydrophobicContact CG2-CB 3.95Å; T112-V179 HydrophobicContact CG2-CG1 4.36Å; Y113-V179 WeakPolarHBondContact O-CA 3.24Å; M136-V179 WeakPolarHBondContact CA-O 3.19Å; K137-V179 HydrophobicContact CB-CG2 3.92Å; K137-V179 PolarHBondContact N-O 3.01Å; K137-V179 WeakPolarHBondContact O-CG2 3.5Å; K137-V179 PolarHBondContact O-N 2.95Å
180I92.4Very high74.1Confident0 Ų059.8 Ų59.80%033%0.326CS..EExtended strand (participates in β ladder)trans-109.6116.2169.7-172.5161.9000107.9T112 Y113 L115 F122 W134 M136 I150T112-I180 CarbonylContact C-O 3.6Å; T112-I180 VanDerWaalsContact CA-O 3.29Å; T112-I180 WeakPolarHBondContact CA-O 3.35Å; Y113-I180 HydrophobicContact CD2-CG2 4.49Å; Y113-I180 PolarHBondContact N-O 2.83Å; Y113-I180 PolarHBondContact O-N 3.48Å; L115-I180 HydrophobicContact CD1-CB 4.17Å; L115-I180 HydrophobicContact CD1-CG2 4.03Å; L115-I180 HydrophobicContact CD2-CG2 4.3Å; L115-I180 HydrophobicContact CG-CG2 3.99Å; F122-I180 HydrophobicContact CB-CG2 4.42Å; F122-I180 HydrophobicContact CD1-CD1 4.31Å; F122-I180 HydrophobicContact CD2-CD1 3.91Å; F122-I180 HydrophobicContact CD2-CG1 4.28Å; F122-I180 HydrophobicContact CD2-CG2 3.93Å; F122-I180 HydrophobicContact CE1-CD1 3.86Å; F122-I180 HydrophobicContact CE2-CD1 3.38Å; F122-I180 HydrophobicContact CE2-CG1 4Å; F122-I180 HydrophobicContact CE2-CG2 4.48Å; F122-I180 HydrophobicContact CG-CD1 4.34Å; F122-I180 HydrophobicContact CG-CG2 4.07Å; F122-I180 HydrophobicContact CZ-CD1 3.35Å; F122-I180 HydrophobicContact CZ-CG1 4.43Å; W134-I180 HydrophobicContact CB-CD1 4.01Å; W134-I180 HydrophobicContact CB-CG1 3.86Å; W134-I180 HydrophobicContact CD2-CG1 4.49Å; W134-I180 HydrophobicContact CE3-CG1 4.05Å; W134-I180 HydrophobicContact CG-CG1 4.44Å; M136-I180 HydrophobicContact CG-CB 4.07Å; M136-I180 HydrophobicContact CG-CD1 3.84Å; M136-I180 HydrophobicContact CG-CG1 3.91Å; M136-I180 HydrophobicContact SD-CD1 4.3Å; I150-I180 HydrophobicContact CD1-CD1 4.26Å
181S93.5Very high77.1Confident13 Ų1358.4 Ų58.49%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-115.5146.2-176.8-61.70000109.7V111 T112 W134 I135 Y183V111-S181 CarbonylContact O-C 3.51Å; V111-S181 WeakPolarHBondContact O-CA 3.47Å; T112-S181 VanDerWaalsContact CG2-OG 3.22Å; T112-S181 WeakPolarHBondContact CG2-OG 3.33Å; T112-S181 WeakPolarHBondContact OG1-CB 3.43Å; T112-S181 PolarHBondContact OG1-OG 3.43Å; W134-S181 CarbonylContact C-O 3.57Å; W134-S181 WeakPolarHBondContact CA-O 3.35Å; W134-S181 VanDerWaalsContact CE3-C 3.4Å; I135-S181 WeakPolarHBondContact CG2-O 3.4Å; I135-S181 PolarHBondContact N-O 3.19Å; I135-S181 PolarHBondContact O-N 2.89Å; S181-Y183 PolarHBondContact O-N 3.47Å
182R92.8Very high80.1Confident73 Ų7355 Ų5528%0.27531%0.314SS..EExtended strand (participates in β ladder)trans-62.3129.7171.8-174.6161.3-179.1111.65.1108.8V111 S132 W134V111-R182 HydrophobicContact CB-CB 4.26Å; V111-R182 PolarHBondContact O-N 2.74Å; S132-R182 VanDerWaalsContact CB-CZ 3.43Å; S132-R182 PolarHBondContact OG-NH1 2.89Å; W134-R182 HydrophobicContact CE3-CB 4.12Å; W134-R182 VanDerWaalsContact CE3-N 3.3Å; W134-R182 HydrophobicContact CH2-CB 4.11Å; W134-R182 HydrophobicContact CZ3-CB 3.91Å
183Y91.7Very high82.8Confident13 Ų1351.7 Ų51.75%0.05129%0.286CS..  trans-77139.4177.9-178-102.8000109.5T133 I135 L149 S181 E185 K194 Y226 H239T133-Y183 HydrophobicContact CG2-CD1 4.08Å; T133-Y183 HydrophobicContact CG2-CG 4.21Å; T133-Y183 VanDerWaalsContact O-CB 3.27Å; T133-Y183 WeakPolarHBondContact O-CB 3.18Å; T133-Y183 PolarHBondContact O-N 3.29Å; I135-Y183 HydrophobicContact CB-CD2 4.2Å; I135-Y183 HydrophobicContact CD1-CD2 4.25Å; I135-Y183 HydrophobicContact CG2-CD2 4.44Å; L149-Y183 HydrophobicContact CD2-CD1 4.13Å; L149-Y183 HydrophobicContact CD2-CD2 3.55Å; L149-Y183 HydrophobicContact CD2-CE1 4.37Å; L149-Y183 HydrophobicContact CD2-CE2 3.81Å; L149-Y183 HydrophobicContact CD2-CG 3.73Å; S181-Y183 PolarHBondContact O-N 3.47Å; Y183-E185 HydrophobicContact CD1-CG 3.97Å; Y183-E185 PolarHBondContact O-N 3.3Å; Y183-K194 PolarHBondContact OH-NZ 3.36Å; Y183-Y226 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y226 WeakPolarHBondContact OH-CE2 3.39Å; Y183-Y226 PolarHBondContact OH-OH 3.33Å; Y183-H239 AromaticContact CZ-ND1 3.79Å; Y183-H239 PolarHBondContact OH-ND1 3.47Å; Y183-H239 VanDerWaalsContact OH-ND1 3.07Å
184I92.1Very high85.7Confident24 Ų2446.9 Ų46.912%0.12326%0.256CS..  trans-8298.4176.3-59.4165.1000106.7P110 I315 D317 W323P110-I184 HydrophobicContact CG-CD1 4.31Å; P110-I184 HydrophobicContact CG-CG1 4.5Å; I184-I315 HydrophobicContact CB-CG2 4.45Å; I184-I315 HydrophobicContact CD1-CB 3.86Å; I184-I315 HydrophobicContact CD1-CG2 3.66Å; I184-I315 HydrophobicContact CG2-CG2 4.28Å; I184-D317 HydrophobicContact CG2-CB 4.12Å; I184-W323 HydrophobicContact CD1-CB 3.54Å; I184-W323 HydrophobicContact CD1-CD2 4.45Å; I184-W323 HydrophobicContact CD1-CG 3.61Å; I184-W323 HydrophobicContact CG1-CG 4.39Å
185E87.4Confident88.2Confident57 Ų5741.7 Ų41.727%0.26622%0.22SC..SBendtrans-73.3-29.7-173.4-71.1171.5170.800112.8T133 Y183 P187 Y226T133-E185 WeakPolarHBondContact CB-OE1 3.19Å; T133-E185 PolarHBondContact N-OE1 3.01Å; T133-E185 PolarHBondContact OG1-OE1 3.27Å; Y183-E185 HydrophobicContact CD1-CG 3.97Å; Y183-E185 PolarHBondContact O-N 3.3Å; E185-P187 WeakPolarHBondContact O-CD 3.39Å; E185-Y226 WeakPolarHBondContact O-CE1 3.4Å; E185-Y226 PolarHBondContact O-OH 3.03Å
186N92.1Very high90.2Very high95 Ų9532.9 Ų32.951%0.50819%0.187SC..SBendtrans-11465.8-179.5-55.8-18.5000111.3D317 D318N186-D317 CarbonylContact O-C 3.57Å; N186-D317 VanDerWaalsContact O-CA 3.31Å; N186-D317 WeakPolarHBondContact O-CA 3.42Å; N186-D317 WeakPolarHBondContact O-CB 3.29Å; N186-D318 HydrophobicContact CB-CB 4.29Å; N186-D318 WeakPolarHBondContact CB-OD2 3.41Å; N186-D318 PolarHBondContact O-N 2.94Å
187P94.9Very high91.7Very high5 Ų529.3 Ų29.33%0.03217%0.168CC..BIsolated β-bridgetrans-67.3149.7174.831.1-34000110.1E185 L189 K194 Y226 I315E185-P187 WeakPolarHBondContact O-CD 3.39Å; P187-L189 HydrophobicContact CG-CD2 3.99Å; P187-L189 WeakPolarHBondContact O-CG 3.3Å; P187-L189 PolarHBondContact O-N 3.47Å; P187-K194 HydrophobicContact CB-CD 4.41Å; P187-K194 HydrophobicContact CB-CG 4.03Å; P187-K194 HydrophobicContact CG-CB 4.38Å; P187-K194 HydrophobicContact CG-CD 4.08Å; P187-K194 HydrophobicContact CG-CG 3.96Å; P187-Y226 HydrophobicContact CG-CD1 4.3Å; P187-Y226 HydrophobicContact CG-CD2 4.3Å; P187-Y226 HydrophobicContact CG-CE1 3.96Å; P187-Y226 HydrophobicContact CG-CE2 3.99Å; P187-Y226 HydrophobicContact CG-CG 4.43Å; P187-I315 HydrophobicContact CB-CG2 4.4Å
188L95.7Very high92.4Very high14 Ų1428.4 Ų28.47%0.07316%0.159CC..  trans-58.1126.2167.2-179.260.9000109.1F195 F265 W268 I316 F320L188-F195 HydrophobicContact CB-CE1 4.23Å; L188-F195 HydrophobicContact CD2-CE1 4.3Å; L188-F195 HydrophobicContact CD2-CZ 4.07Å; L188-F195 HydrophobicContact CG-CE1 4.12Å; L188-F195 HydrophobicContact CG-CZ 4.37Å; L188-F195 VanDerWaalsContact O-CE1 3.28Å; L188-F195 WeakPolarHBondContact O-CE1 3.32Å; L188-F265 HydrophobicContact CD2-CE2 4.3Å; L188-F265 HydrophobicContact CD2-CZ 4.31Å; L188-W268 HydrophobicContact CD2-CZ3 4.38Å; L188-I316 HydrophobicContact CB-CB 4.3Å; L188-I316 HydrophobicContact CB-CG2 4.16Å; L188-I316 HydrophobicContact CD2-CB 4.46Å; L188-I316 HydrophobicContact CD2-CG2 3.96Å; L188-I316 PolarHBondContact N-O 3.46Å; L188-F320 HydrophobicContact CD1-CE1 3.92Å; L188-F320 HydrophobicContact CD1-CZ 4.17Å; L188-F320 HydrophobicContact CD2-CD1 4.12Å; L188-F320 HydrophobicContact CD2-CE1 3.86Å
189L94.1Very high92.8Very high66 Ų6627.5 Ų27.535%0.34616%0.156SC..EExtended strand (participates in β ladder)trans-108134.5-179.1-57.8-179.1000110.5P187 K193 K194 Y226P187-L189 HydrophobicContact CG-CD2 3.99Å; P187-L189 WeakPolarHBondContact O-CG 3.3Å; P187-L189 PolarHBondContact O-N 3.47Å; L189-K193 WeakPolarHBondContact CA-O 3.33Å; L189-K194 HydrophobicContact CD2-CB 4.22Å; L189-Y226 HydrophobicContact CD1-CD1 4.05Å; L189-Y226 HydrophobicContact CD1-CG 4.43Å; L189-Y226 HydrophobicContact CD2-CD1 4Å; L189-Y226 HydrophobicContact CD2-CG 3.8Å
190I92.4Very high93Very high14 Ų1427.4 Ų27.47%0.07216%0.156CC..EExtended strand (participates in β ladder)trans-116.3122.9168.6-56166.5000108.1G192 K193 F195 F221 W260 F265 W268I190-G192 PolarHBondContact O-N 2.84Å; I190-K193 PolarHBondContact N-O 2.93Å; I190-K193 PolarHBondContact O-N 2.85Å; I190-F195 HydrophobicContact CD1-CD1 4.13Å; I190-F195 HydrophobicContact CD1-CE1 3.63Å; I190-F195 HydrophobicContact CD1-CZ 3.94Å; I190-F195 HydrophobicContact CG1-CD1 4.35Å; I190-F195 HydrophobicContact CG1-CE1 3.86Å; I190-F221 HydrophobicContact CB-CE1 3.89Å; I190-F221 HydrophobicContact CB-CZ 4.36Å; I190-F221 HydrophobicContact CD1-CE1 4.09Å; I190-F221 HydrophobicContact CD1-CZ 3.91Å; I190-F221 HydrophobicContact CG1-CE1 4.41Å; I190-W260 HydrophobicContact CD1-CE3 4.17Å; I190-W260 HydrophobicContact CD1-CZ3 3.85Å; I190-W260 HydrophobicContact CG2-CH2 3.66Å; I190-W260 HydrophobicContact CG2-CZ3 3.71Å; I190-F265 HydrophobicContact CD1-CD2 3.82Å; I190-F265 HydrophobicContact CD1-CE2 3.92Å; I190-W268 HydrophobicContact CB-CZ2 4.42Å; I190-W268 HydrophobicContact CD1-CD2 4.2Å; I190-W268 HydrophobicContact CD1-CE3 3.91Å; I190-W268 HydrophobicContact CD1-CH2 4.33Å; I190-W268 HydrophobicContact CD1-CZ3 3.99Å; I190-W268 HydrophobicContact CG1-CD2 4.31Å; I190-W268 HydrophobicContact CG1-CE3 4.15Å; I190-W268 HydrophobicContact CG1-CH2 3.68Å; I190-W268 HydrophobicContact CG1-CZ2 3.83Å; I190-W268 HydrophobicContact CG1-CZ3 3.85Å; I190-W268 HydrophobicContact CG2-CD2 4.49Å; I190-W268 HydrophobicContact CG2-CZ2 4.11Å
191G88.2Confident93.3Very high64 Ų6427.4 Ų27.466%0.6616%0.156SC*.THydrogen-bonded Turntrans59.326.7-172.800000113.3K193G191-K193 VanDerWaalsContact C-N 3.3Å; G191-K193 PolarHBondContact O-N 3.4Å
192G90Very high93.5Very high28 Ų2826.8 Ų26.829%0.28915%0.151SC..THydrogen-bonded Turntrans7413.7-175.300000114.5I190 R225 Y226I190-G192 PolarHBondContact O-N 2.84Å; G192-R225 CarbonylContact O-C 3.54Å; G192-R225 VanDerWaalsContact O-CA 3.3Å; G192-R225 WeakPolarHBondContact O-CA 3.16Å; G192-Y226 PolarHBondContact O-N 2.61Å
193K89.2Confident93.7Very high70 Ų7023.3 Ų23.330%0.30414%0.138SC..EExtended strand (participates in β ladder)trans-111.3137.7-179.3-63.5179.5175.4-164.30111.1L189 I190 G191 F221 T223L189-K193 WeakPolarHBondContact CA-O 3.33Å; I190-K193 PolarHBondContact N-O 2.93Å; I190-K193 PolarHBondContact O-N 2.85Å; G191-K193 VanDerWaalsContact C-N 3.3Å; G191-K193 PolarHBondContact O-N 3.4Å; K193-F221 HydrophobicContact CB-CD1 4.21Å; K193-T223 WeakPolarHBondContact CE-O 3.32Å; K193-T223 PolarHBondContact NZ-O 2.89Å
194K92.7Very high93.8Very high7 Ų724.2 Ų24.23%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-71.8146.1171.9-178.5-179.8-178.4-172.10110Y183 P187 L189 C222 Y226 H239Y183-K194 PolarHBondContact OH-NZ 3.36Å; P187-K194 HydrophobicContact CB-CD 4.41Å; P187-K194 HydrophobicContact CB-CG 4.03Å; P187-K194 HydrophobicContact CG-CB 4.38Å; P187-K194 HydrophobicContact CG-CD 4.08Å; P187-K194 HydrophobicContact CG-CG 3.96Å; L189-K194 HydrophobicContact CD2-CB 4.22Å; K194-C222 PolarHBondContact O-N 3.04Å; K194-Y226 HydrophobicContact CB-CD2 3.91Å; K194-Y226 HydrophobicContact CB-CG 4.43Å; K194-Y226 HydrophobicContact CD-CD2 4.09Å; K194-Y226 HydrophobicContact CD-CE2 4.02Å; K194-H239 PolarHBondContact NZ-O 2.88Å
195F94.7Very high93.9Very high4 Ų424.2 Ų24.22%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-142.1162.5172.269.8-79.5000111.8L188 I190 C219 R220 F221 F265 I316L188-F195 HydrophobicContact CB-CE1 4.23Å; L188-F195 HydrophobicContact CD2-CE1 4.3Å; L188-F195 HydrophobicContact CD2-CZ 4.07Å; L188-F195 HydrophobicContact CG-CE1 4.12Å; L188-F195 HydrophobicContact CG-CZ 4.37Å; L188-F195 VanDerWaalsContact O-CE1 3.28Å; L188-F195 WeakPolarHBondContact O-CE1 3.32Å; I190-F195 HydrophobicContact CD1-CD1 4.13Å; I190-F195 HydrophobicContact CD1-CE1 3.63Å; I190-F195 HydrophobicContact CD1-CZ 3.94Å; I190-F195 HydrophobicContact CG1-CD1 4.35Å; I190-F195 HydrophobicContact CG1-CE1 3.86Å; F195-C219 HydrophobicContact CD2-CB 3.67Å; F195-C219 HydrophobicContact CE2-CB 4.29Å; F195-C219 HydrophobicContact CG-CB 4.37Å; F195-R220 WeakPolarHBondContact CA-O 3.49Å; F195-R220 VanDerWaalsContact CB-O 3.29Å; F195-R220 WeakPolarHBondContact CB-O 3.47Å; F195-F221 HydrophobicContact CB-CD1 3.58Å; F195-F221 HydrophobicContact CB-CD2 4.48Å; F195-F221 HydrophobicContact CB-CE1 3.62Å; F195-F221 HydrophobicContact CB-CG 4.02Å; F195-F221 HydrophobicContact CB-CZ 4.15Å; F195-F221 HydrophobicContact CD1-CD1 4.4Å; F195-F221 AromaticContact CD1-CE1 3.76Å; F195-F221 HydrophobicContact CD1-CE1 3.76Å; F195-F221 HydrophobicContact CD1-CZ 4.36Å; F195-F221 HydrophobicContact CG-CD1 4.27Å; F195-F221 AromaticContact CG-CE1 3.79Å; F195-F221 HydrophobicContact CG-CE1 3.79Å; F195-F221 HydrophobicContact CG-CZ 4.16Å; F195-F265 HydrophobicContact CE2-CD2 4.31Å; F195-F265 AromaticContact CE2-CE2 3.97Å; F195-F265 HydrophobicContact CE2-CE2 3.97Å; F195-F265 HydrophobicContact CE2-CZ 4.2Å; F195-F265 HydrophobicContact CZ-CD2 4.2Å; F195-F265 AromaticContact CZ-CE2 3.55Å; F195-F265 HydrophobicContact CZ-CE2 3.55Å; F195-F265 AromaticContact CZ-CZ 3.93Å; F195-F265 HydrophobicContact CZ-CZ 3.93Å; F195-I316 HydrophobicContact CE2-CD1 4.22Å; F195-I316 HydrophobicContact CZ-CD1 4.29Å
196D95Very high94.2Very high5 Ų521.6 Ų21.63%0.02714%0.135CC..EExtended strand (participates in β ladder)trans-118.9154.9163.478.4-104.2000109.2C219 R220 T241 I315D196-C219 CarbonylContact O-C 3.51Å; D196-C219 WeakPolarHBondContact O-CA 3.32Å; D196-R220 VanDerWaalsContact CG-NE 3.29Å; D196-R220 PolarHBondContact N-O 2.88Å; D196-R220 VanDerWaalsContact N-O 3.09Å; D196-R220 PolarHBondContact O-N 3.01Å; D196-R220 WeakPolarHBondContact OD1-CB 3.23Å; D196-R220 IonicContact OD1-CZ 2.66Å; D196-R220 IonicContact OD1-NE 2.65Å; D196-R220 PolarHBondContact OD1-NE 3.07Å; D196-R220 IonicContact OD1-NH2 2.74Å; D196-R220 PolarHBondContact OD1-NH2 3.18Å; D196-R220 IonicContact OD2-CZ 2.71Å; D196-R220 IonicContact OD2-NE 2.75Å; D196-R220 PolarHBondContact OD2-NE 3.05Å; D196-R220 IonicContact OD2-NH2 3.84Å; D196-R220 PolarHBondContact OD2-NH2 2.85Å; D196-T241 HydrophobicContact CB-CG2 4.47Å; D196-T241 WeakPolarHBondContact OD1-CB 3.29Å; D196-T241 PolarHBondContact OD1-OG1 2.82Å; D196-I315 HydrophobicContact CB-CG1 4.06Å
197L95.8Very high94.2Very high0 Ų022.3 Ų22.30%013%0.133CC..EExtended strand (participates in β ladder)trans-102.1121.3175.7-179.365.1000109.8L199 T262 I285 D313 I314L197-L199 HydrophobicContact CD1-CD2 4.09Å; L197-L199 HydrophobicContact CD2-CD1 3.94Å; L197-L199 HydrophobicContact CD2-CD2 4.05Å; L197-L199 HydrophobicContact CD2-CG 4.01Å; L197-L199 HydrophobicContact CG-CD1 4.39Å; L197-L199 HydrophobicContact CG-CD2 3.97Å; L197-L199 HydrophobicContact CG-CG 3.93Å; L197-T262 HydrophobicContact CD1-CG2 4.47Å; L197-I285 HydrophobicContact CD2-CD1 3.8Å; L197-D313 WeakPolarHBondContact O-CA 3.47Å; L197-I314 PolarHBondContact N-O 2.62Å; L197-I314 PolarHBondContact O-N 2.91Å
198R95.3Very high94.1Very high17 Ų1724 Ų246%0.06414%0.144CC..EExtended strand (participates in β ladder)trans-95.7116.1170174.657.858.979.9-8.5110Y200 G217 F218 Y312 D313 N328R198-Y200 HydrophobicContact CG-CE2 4.35Å; R198-G217 WeakPolarHBondContact O-CA 3.34Å; R198-F218 HydrophobicContact CB-CD2 4.01Å; R198-F218 HydrophobicContact CB-CE1 4.4Å; R198-F218 HydrophobicContact CB-CE2 3.69Å; R198-F218 HydrophobicContact CB-CG 4.48Å; R198-F218 HydrophobicContact CB-CZ 3.91Å; R198-F218 WeakPolarHBondContact CB-O 3.33Å; R198-F218 HydrophobicContact CG-CE1 4Å; R198-F218 HydrophobicContact CG-CE2 3.95Å; R198-F218 HydrophobicContact CG-CZ 3.62Å; R198-F218 PolarHBondContact N-O 2.8Å; R198-F218 PolarHBondContact O-N 2.83Å; R198-Y312 WeakPolarHBondContact CA-O 3.38Å; R198-D313 IonicContact CZ-OD1 3.33Å; R198-D313 IonicContact CZ-OD2 3.7Å; R198-D313 IonicContact NE-OD1 3.42Å; R198-D313 PolarHBondContact NE-OD1 3.17Å; R198-D313 IonicContact NE-OD2 2.84Å; R198-D313 IonicContact NH2-OD1 2.66Å; R198-D313 PolarHBondContact NH2-OD1 2.9Å; R198-D313 IonicContact NH2-OD2 2.61Å; R198-D313 PolarHBondContact NH2-OD2 2.82Å; R198-N328 PolarHBondContact NH2-ND2 2.77Å
199L96.7Very high94Very high7 Ų723.3 Ų23.34%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-114155.7172.3-60.1176.6000111L197 T262 I285 I289 G311 Y312 I314L197-L199 HydrophobicContact CD1-CD2 4.09Å; L197-L199 HydrophobicContact CD2-CD1 3.94Å; L197-L199 HydrophobicContact CD2-CD2 4.05Å; L197-L199 HydrophobicContact CD2-CG 4.01Å; L197-L199 HydrophobicContact CG-CD1 4.39Å; L197-L199 HydrophobicContact CG-CD2 3.97Å; L197-L199 HydrophobicContact CG-CG 3.93Å; L199-T262 HydrophobicContact CD2-CG2 4.3Å; L199-I285 HydrophobicContact CD1-CG2 3.4Å; L199-I289 HydrophobicContact CD1-CD1 4.46Å; L199-G311 CarbonylContact O-C 3.59Å; L199-G311 WeakPolarHBondContact O-CA 3.41Å; L199-Y312 PolarHBondContact N-O 3.48Å; L199-Y312 PolarHBondContact O-N 3.04Å; L199-I314 HydrophobicContact CD1-CD1 4.27Å
200Y97.4Very high94.1Very high0 Ų021.3 Ų21.30%013%0.129CC..EExtended strand (participates in β ladder)trans-112.7130176.2-63.7-83.4000109.7R198 Y214 F218 Y310 P331 L343 L347R198-Y200 HydrophobicContact CG-CE2 4.35Å; Y200-Y214 HydrophobicContact CD2-CD1 4.5Å; Y200-Y214 WeakPolarHBondContact O-CB 3.19Å; Y200-Y214 PolarHBondContact O-N 3.21Å; Y200-F218 HydrophobicContact CE2-CE1 4.02Å; Y200-F218 WeakPolarHBondContact OH-CE1 3.29Å; Y200-Y310 WeakPolarHBondContact CA-O 3.36Å; Y200-P331 HydrophobicContact CD1-CB 4.32Å; Y200-P331 HydrophobicContact CD1-CG 3.77Å; Y200-P331 HydrophobicContact CE1-CB 3.78Å; Y200-P331 HydrophobicContact CE1-CG 3.6Å; Y200-L343 HydrophobicContact CD2-CD2 4.42Å; Y200-L343 HydrophobicContact CE2-CD2 3.68Å; Y200-L347 HydrophobicContact CD1-CD1 4.44Å; Y200-L347 HydrophobicContact CD1-CD2 3.37Å; Y200-L347 HydrophobicContact CD2-CD2 4.06Å; Y200-L347 HydrophobicContact CE1-CD2 3.52Å; Y200-L347 HydrophobicContact CE2-CD2 4.23Å; Y200-L347 HydrophobicContact CG-CD1 4.04Å; Y200-L347 HydrophobicContact CG-CD2 3.64Å
201V97.9Very high94.3Very high0 Ų020.7 Ų20.70%013%0.126CC..EExtended strand (participates in β ladder)trans-128123.1-179.1179.80000107.8V203 I211 Y212 I289 L293 C309 Y310 Y312V201-V203 HydrophobicContact CG1-CG2 4.38Å; V201-I211 HydrophobicContact CG1-CG2 3.51Å; V201-Y212 CarbonylContact C-O 2.77Å; V201-Y212 VanDerWaalsContact CA-O 3.32Å; V201-Y212 WeakPolarHBondContact CA-O 3.47Å; V201-I289 HydrophobicContact CB-CG2 4.39Å; V201-I289 HydrophobicContact CG1-CG2 3.74Å; V201-I289 HydrophobicContact CG2-CD1 3.81Å; V201-I289 HydrophobicContact CG2-CG1 4.14Å; V201-I289 HydrophobicContact CG2-CG2 3.77Å; V201-L293 HydrophobicContact CG1-CD1 4.09Å; V201-C309 CarbonylContact O-C 3.44Å; V201-C309 WeakPolarHBondContact O-CA 3.35Å; V201-Y310 PolarHBondContact N-O 2.95Å; V201-Y310 PolarHBondContact O-N 2.8Å; V201-Y312 HydrophobicContact CB-CD2 3.93Å; V201-Y312 HydrophobicContact CB-CE2 3.89Å; V201-Y312 HydrophobicContact CG1-CE2 4.37Å; V201-Y312 HydrophobicContact CG2-CD2 3.55Å; V201-Y312 HydrophobicContact CG2-CE2 3.84Å; V201-Y312 HydrophobicContact CG2-CG 4.25Å
202L97.3Very high94.8Very high0 Ų018 Ų180%010%0.096CC..EExtended strand (participates in β ladder)trans-98128.5174.7172.868.5000109T204 Y212 F307 E308 C309 V351 I354 F378L202-T204 HydrophobicContact CD2-CG2 4.14Å; L202-T204 HydrophobicContact CG-CG2 4.09Å; L202-Y212 HydrophobicContact CD2-CD2 4.34Å; L202-Y212 HydrophobicContact CG-CD2 4.38Å; L202-Y212 PolarHBondContact N-O 3.42Å; L202-Y212 PolarHBondContact O-N 3.27Å; L202-F307 HydrophobicContact CD1-CB 4.47Å; L202-F307 HydrophobicContact CD1-CD2 3.95Å; L202-E308 WeakPolarHBondContact CA-O 3.38Å; L202-C309 HydrophobicContact CD1-CB 4.49Å; L202-V351 HydrophobicContact CD1-CG1 4.06Å; L202-V351 HydrophobicContact CD1-CG2 4.37Å; L202-V351 HydrophobicContact CD2-CG1 4.45Å; L202-V351 HydrophobicContact CD2-CG2 4.31Å; L202-I354 HydrophobicContact CD2-CB 4.02Å; L202-I354 HydrophobicContact CD2-CD1 3.74Å; L202-I354 HydrophobicContact CD2-CG1 4.49Å; L202-I354 HydrophobicContact CD2-CG2 3.81Å; L202-F378 HydrophobicContact CB-CD1 4.31Å; L202-F378 HydrophobicContact CB-CE1 3.63Å; L202-F378 HydrophobicContact CB-CZ 3.94Å; L202-F378 HydrophobicContact CD2-CZ 4.41Å
203V96.2Very high95.1Very high0 Ų017 Ų170%09%0.085CC..EExtended strand (participates in β ladder)trans-115.4119.9172.7-178.50000107.9F64 V201 S205 F206 L209 K210 L293 F307 E308 Y310F64-V203 HydrophobicContact CE2-CB 4.33Å; F64-V203 HydrophobicContact CE2-CG1 4.16Å; F64-V203 HydrophobicContact CZ-CG1 4.35Å; V201-V203 HydrophobicContact CG1-CG2 4.38Å; V203-S205 WeakPolarHBondContact CG1-O 3.25Å; V203-F206 HydrophobicContact CB-CE2 4.43Å; V203-F206 HydrophobicContact CG1-CD2 3.88Å; V203-F206 HydrophobicContact CG1-CE1 4.44Å; V203-F206 HydrophobicContact CG1-CE2 3.63Å; V203-F206 HydrophobicContact CG1-CG 4.43Å; V203-F206 HydrophobicContact CG1-CZ 3.96Å; V203-L209 HydrophobicContact CG1-CD1 4.34Å; V203-K210 WeakPolarHBondContact CA-O 3.5Å; V203-L293 HydrophobicContact CG2-CD1 3.7Å; V203-L293 HydrophobicContact CG2-CD2 3.86Å; V203-L293 HydrophobicContact CG2-CG 4.45Å; V203-F307 CarbonylContact O-C 3.52Å; V203-F307 WeakPolarHBondContact O-CA 3.25Å; V203-E308 PolarHBondContact N-O 2.84Å; V203-E308 PolarHBondContact O-N 2.82Å; V203-Y310 HydrophobicContact CB-CE2 4.11Å; V203-Y310 HydrophobicContact CG2-CD2 3.89Å; V203-Y310 HydrophobicContact CG2-CE2 3.83Å
204T94.1Very high95.5Very high31 Ų3113.8 Ų13.819%0.197%0.071CC..EExtended strand (participates in β ladder)trans-99.8-14.7-178.958.80000113.1L202 K210 Y212 I354 V355L202-T204 HydrophobicContact CD2-CG2 4.14Å; L202-T204 HydrophobicContact CG-CG2 4.09Å; T204-K210 PolarHBondContact N-O 3.46Å; T204-Y212 HydrophobicContact CG2-CD2 4.17Å; T204-Y212 HydrophobicContact CG2-CE2 3.66Å; T204-I354 HydrophobicContact CG2-CG2 3.99Å; T204-V355 HydrophobicContact CG2-CG1 4.33Å
205S93.9Very high95.6Very high25 Ų2517.5 Ų17.518%0.1759%0.086CC..EExtended strand (participates in β ladder)trans-164.5147.9178.1170.90000109.2V203 K207 P208 L209 K210V203-S205 WeakPolarHBondContact CG1-O 3.25Å; S205-K207 PolarHBondContact OG-N 2.83Å; S205-K207 PolarHBondContact OG-O 3.09Å; S205-P208 CarbonylContact C-O 3.53Å; S205-P208 VanDerWaalsContact C-O 3.31Å; S205-P208 WeakPolarHBondContact CB-O 3.39Å; S205-P208 PolarHBondContact OG-O 2.92Å; S205-L209 WeakPolarHBondContact O-CA 3.37Å; S205-K210 PolarHBondContact O-N 2.76Å
206F94.2Very high95.6Very high1 Ų118.5 Ų18.50%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-104.3-16.3171.2-84.1-85.3000113F64 V203 P208 L209 L293 V296 A297 M300 N302 Y310F64-F206 HydrophobicContact CD1-CD2 4.09Å; F64-F206 HydrophobicContact CD1-CE2 4.43Å; F64-F206 HydrophobicContact CD2-CD2 4.1Å; F64-F206 AromaticContact CD2-CE2 3.68Å; F64-F206 HydrophobicContact CD2-CE2 3.68Å; F64-F206 AromaticContact CE1-CD2 3.81Å; F64-F206 HydrophobicContact CE1-CD2 3.81Å; F64-F206 HydrophobicContact CE1-CE2 4.36Å; F64-F206 AromaticContact CE2-CD2 3.82Å; F64-F206 HydrophobicContact CE2-CD2 3.82Å; F64-F206 AromaticContact CE2-CE2 3.59Å; F64-F206 HydrophobicContact CE2-CE2 3.59Å; F64-F206 HydrophobicContact CG-CD2 4.24Å; F64-F206 HydrophobicContact CG-CE2 4.12Å; F64-F206 AromaticContact CZ-CD2 3.67Å; F64-F206 HydrophobicContact CZ-CD2 3.67Å; F64-F206 AromaticContact CZ-CE2 3.96Å; F64-F206 HydrophobicContact CZ-CE2 3.96Å; V203-F206 HydrophobicContact CB-CE2 4.43Å; V203-F206 HydrophobicContact CG1-CD2 3.88Å; V203-F206 HydrophobicContact CG1-CE1 4.44Å; V203-F206 HydrophobicContact CG1-CE2 3.63Å; V203-F206 HydrophobicContact CG1-CG 4.43Å; V203-F206 HydrophobicContact CG1-CZ 3.96Å; F206-P208 VanDerWaalsContact C-C 3.49Å; F206-P208 CarbonylContact C-O 3.11Å; F206-L209 HydrophobicContact CD1-CD1 3.71Å; F206-L209 HydrophobicContact CE1-CD1 4.08Å; F206-L209 HydrophobicContact CG-CD1 4.34Å; F206-L209 PolarHBondContact O-N 3.34Å; F206-L293 HydrophobicContact CE1-CD2 3.91Å; F206-L293 HydrophobicContact CZ-CD2 3.83Å; F206-V296 HydrophobicContact CE1-CG2 3.78Å; F206-V296 HydrophobicContact CZ-CG2 4.28Å; F206-A297 HydrophobicContact CD1-CB 4.04Å; F206-M300 HydrophobicContact CB-CB 4.27Å; F206-M300 HydrophobicContact CB-CG 4.34Å; F206-M300 HydrophobicContact CD1-CB 4.05Å; F206-M300 HydrophobicContact CD1-CG 4.04Å; F206-M300 HydrophobicContact CD2-CB 4.19Å; F206-M300 HydrophobicContact CD2-CG 3.43Å; F206-M300 VanDerWaalsContact CD2-CG 3.43Å; F206-M300 HydrophobicContact CE1-CB 4.4Å; F206-M300 HydrophobicContact CE1-CG 4.14Å; F206-M300 HydrophobicContact CE2-CG 3.52Å; F206-M300 HydrophobicContact CE2-SD 4.03Å; F206-M300 HydrophobicContact CG-CB 3.91Å; F206-M300 HydrophobicContact CG-CG 3.67Å; F206-M300 HydrophobicContact CZ-CG 3.87Å; F206-M300 HydrophobicContact CZ-SD 4.07Å; F206-N302 PolarHBondContact N-OD1 3.14Å; F206-Y310 HydrophobicContact CZ-CE2 4.47Å
207K91.7Very high95.5Very high110 Ų11018.3 Ų18.348%0.4789%0.091SC..THydrogen-bonded Turntrans-143.394.1175.3-61.6-178.4-179.5175.70109.6S205 N302S205-K207 PolarHBondContact OG-N 2.83Å; S205-K207 PolarHBondContact OG-O 3.09Å; K207-N302 HydrophobicContact CB-CB 4.17Å; K207-N302 HydrophobicContact CD-CB 4.23Å; K207-N302 HydrophobicContact CG-CB 4.17Å; K207-N302 PolarHBondContact N-OD1 2.75Å; K207-N302 PolarHBondContact O-ND2 3.38Å
208P93Very high95.4Very high40 Ų4018.8 Ų18.826%0.269%0.093SC..THydrogen-bonded Turncis-71.3151.1-1.732.6-39.2000112.7S205 F206 K210 E384 E385S205-P208 CarbonylContact C-O 3.53Å; S205-P208 VanDerWaalsContact C-O 3.31Å; S205-P208 WeakPolarHBondContact CB-O 3.39Å; S205-P208 PolarHBondContact OG-O 2.92Å; F206-P208 VanDerWaalsContact C-C 3.49Å; F206-P208 CarbonylContact C-O 3.11Å; P208-K210 PolarHBondContact O-N 2.83Å; P208-E384 VanDerWaalsContact CA-OE2 3.28Å; P208-E384 WeakPolarHBondContact CA-OE2 3.38Å; P208-E384 HydrophobicContact CB-CB 4.07Å; P208-E385 HydrophobicContact CB-CG 3.59Å; P208-E385 HydrophobicContact CG-CG 3.58Å
209L95.3Very high95.3Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-71.1118.5177.7-179.460.9000111.3V203 S205 F206 I211 L293 K294 Y382 E384V203-L209 HydrophobicContact CG1-CD1 4.34Å; S205-L209 WeakPolarHBondContact O-CA 3.37Å; F206-L209 HydrophobicContact CD1-CD1 3.71Å; F206-L209 HydrophobicContact CE1-CD1 4.08Å; F206-L209 HydrophobicContact CG-CD1 4.34Å; F206-L209 PolarHBondContact O-N 3.34Å; L209-I211 HydrophobicContact CD1-CD1 4.06Å; L209-I211 HydrophobicContact CD1-CG1 3.89Å; L209-I211 HydrophobicContact CD2-CD1 3.85Å; L209-I211 HydrophobicContact CD2-CG1 4.48Å; L209-I211 HydrophobicContact CG-CD1 3.85Å; L209-I211 HydrophobicContact CG-CG1 3.92Å; L209-L293 HydrophobicContact CD1-CB 4.38Å; L209-L293 HydrophobicContact CD2-CB 4.4Å; L209-K294 HydrophobicContact CD2-CG 3.68Å; L209-Y382 HydrophobicContact CB-CD1 4.46Å; L209-Y382 HydrophobicContact CB-CE1 4.25Å; L209-Y382 HydrophobicContact CD2-CD1 4.06Å; L209-Y382 HydrophobicContact CD2-CE1 4.03Å; L209-Y382 HydrophobicContact CG-CD1 4.08Å; L209-Y382 HydrophobicContact CG-CE1 4.25Å; L209-E384 HydrophobicContact CB-CB 4.16Å; L209-E384 PolarHBondContact N-OE2 2.78Å; L209-E384 WeakPolarHBondContact O-CB 3.43Å; L209-E384 PolarHBondContact O-N 2.73Å
210K95.1Very high95.1Very high25 Ų2518.5 Ų18.511%0.1099%0.092CC..EExtended strand (participates in β ladder)trans-128.9118.4179.1-159.9170.6-162.1162.90111.3V203 T204 S205 P208 Y212 L380 D383V203-K210 WeakPolarHBondContact CA-O 3.5Å; T204-K210 PolarHBondContact N-O 3.46Å; S205-K210 PolarHBondContact O-N 2.76Å; P208-K210 PolarHBondContact O-N 2.83Å; K210-Y212 HydrophobicContact CD-CE2 4.24Å; K210-Y212 WeakPolarHBondContact CD-OH 3.46Å; K210-Y212 WeakPolarHBondContact CE-OH 3.4Å; K210-Y212 HydrophobicContact CG-CE2 3.89Å; K210-L380 HydrophobicContact CG-CD1 4.11Å; K210-D383 WeakPolarHBondContact CE-OD2 3.28Å; K210-D383 IonicContact NZ-OD2 2.82Å; K210-D383 PolarHBondContact NZ-OD2 3.4Å
211I97.1Very high94.8Very high0 Ų019.7 Ų19.70%010%0.097CC..EExtended strand (participates in β ladder)trans-125.3129.3-168.2-50.7172.4000109.8V201 L209 I289 V290 L293 L381 Y382V201-I211 HydrophobicContact CG1-CG2 3.51Å; L209-I211 HydrophobicContact CD1-CD1 4.06Å; L209-I211 HydrophobicContact CD1-CG1 3.89Å; L209-I211 HydrophobicContact CD2-CD1 3.85Å; L209-I211 HydrophobicContact CD2-CG1 4.48Å; L209-I211 HydrophobicContact CG-CD1 3.85Å; L209-I211 HydrophobicContact CG-CG1 3.92Å; I211-I289 HydrophobicContact CG2-CG2 4.12Å; I211-V290 HydrophobicContact CD1-CG2 4.4Å; I211-L293 HydrophobicContact CB-CD1 4.4Å; I211-L293 HydrophobicContact CD1-CB 3.89Å; I211-L293 HydrophobicContact CD1-CD1 3.48Å; I211-L293 VanDerWaalsContact CD1-CD1 3.48Å; I211-L293 HydrophobicContact CD1-CG 4.31Å; I211-L293 HydrophobicContact CG1-CD1 3.77Å; I211-L293 HydrophobicContact CG2-CD1 3.73Å; I211-L381 HydrophobicContact CB-CB 4.47Å; I211-L381 HydrophobicContact CG2-CB 4.25Å; I211-L381 HydrophobicContact CG2-CD2 4.11Å; I211-L381 PolarHBondContact O-N 3.38Å; I211-Y382 HydrophobicContact CD1-CD1 4.12Å; I211-Y382 HydrophobicContact CD1-CG 4.49Å; I211-Y382 PolarHBondContact N-O 3.04Å; I211-Y382 PolarHBondContact O-N 3.27Å
212Y97.3Very high94.2Very high7 Ų719.8 Ų19.83%0.02710%0.097CC..EExtended strand (participates in β ladder)trans-119.2135.7172.6-53.6-99.4000109.7V201 L202 T204 K210 I354 M375 D379 L380V201-Y212 CarbonylContact C-O 2.77Å; V201-Y212 VanDerWaalsContact CA-O 3.32Å; V201-Y212 WeakPolarHBondContact CA-O 3.47Å; L202-Y212 HydrophobicContact CD2-CD2 4.34Å; L202-Y212 HydrophobicContact CG-CD2 4.38Å; L202-Y212 PolarHBondContact N-O 3.42Å; L202-Y212 PolarHBondContact O-N 3.27Å; T204-Y212 HydrophobicContact CG2-CD2 4.17Å; T204-Y212 HydrophobicContact CG2-CE2 3.66Å; K210-Y212 HydrophobicContact CD-CE2 4.24Å; K210-Y212 WeakPolarHBondContact CD-OH 3.46Å; K210-Y212 WeakPolarHBondContact CE-OH 3.4Å; K210-Y212 HydrophobicContact CG-CE2 3.89Å; Y212-I354 HydrophobicContact CD1-CD1 4.34Å; Y212-I354 HydrophobicContact CE1-CG2 4.47Å; Y212-I354 HydrophobicContact CE2-CG2 4.12Å; Y212-I354 HydrophobicContact CG-CD1 4.48Å; Y212-M375 HydrophobicContact CD1-SD 3.91Å; Y212-M375 HydrophobicContact CE1-CG 4.46Å; Y212-M375 HydrophobicContact CE1-SD 3.74Å; Y212-D379 CarbonylContact C-O 3.46Å; Y212-D379 VanDerWaalsContact CA-O 3.24Å; Y212-D379 WeakPolarHBondContact CA-O 3.38Å; Y212-L380 HydrophobicContact CD1-CB 4.31Å; Y212-L380 HydrophobicContact CD1-CD1 3.95Å; Y212-L380 HydrophobicContact CE1-CB 4.37Å; Y212-L380 HydrophobicContact CE1-CD1 3.63Å
213V97.4Very high93.2Very high9 Ų920.3 Ų20.36%0.05510%0.101CC..EExtended strand (participates in β ladder)trans-106132.617566.70000109.7I289 F378 D379 L381V213-I289 HydrophobicContact CG2-CD1 4.28Å; V213-F378 CarbonylContact O-C 3.38Å; V213-F378 WeakPolarHBondContact O-CA 3.33Å; V213-D379 HydrophobicContact CG1-CB 4.23Å; V213-D379 PolarHBondContact N-O 3.24Å; V213-D379 PolarHBondContact O-N 3.1Å; V213-L381 HydrophobicContact CB-CB 4.3Å; V213-L381 HydrophobicContact CB-CD2 4.25Å; V213-L381 HydrophobicContact CG1-CB 4.15Å
214Y96.9Very high92.5Very high2 Ų223 Ų231%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-83.8126176.6-153.7-127.1000109.9Y200 L216 K346 L347 D350 Q377 F378Y200-Y214 HydrophobicContact CD2-CD1 4.5Å; Y200-Y214 WeakPolarHBondContact O-CB 3.19Å; Y200-Y214 PolarHBondContact O-N 3.21Å; Y214-L216 HydrophobicContact CD1-CB 3.85Å; Y214-L216 VanDerWaalsContact CD1-O 3.22Å; Y214-L216 WeakPolarHBondContact CD1-O 3.49Å; Y214-L216 HydrophobicContact CE1-CB 3.7Å; Y214-L216 HydrophobicContact CE1-CD1 4.18Å; Y214-L216 HydrophobicContact CE1-CG 4.19Å; Y214-L216 PolarHBondContact O-N 2.83Å; Y214-K346 WeakPolarHBondContact OH-CB 3.43Å; Y214-K346 PolarHBondContact OH-O 3.43Å; Y214-L347 HydrophobicContact CD1-CB 4.3Å; Y214-L347 HydrophobicContact CD1-CD1 3.49Å; Y214-L347 VanDerWaalsContact CD1-CD1 3.49Å; Y214-L347 HydrophobicContact CD1-CG 4.45Å; Y214-L347 HydrophobicContact CD2-CD1 3.95Å; Y214-L347 HydrophobicContact CE1-CB 3.76Å; Y214-L347 HydrophobicContact CE1-CD1 3.78Å; Y214-L347 HydrophobicContact CE1-CG 4.38Å; Y214-L347 HydrophobicContact CE2-CD1 4.17Å; Y214-L347 HydrophobicContact CG-CD1 3.62Å; Y214-L347 WeakPolarHBondContact OH-CA 3.2Å; Y214-L347 PolarHBondContact OH-N 2.87Å; Y214-D350 HydrophobicContact CE2-CB 3.92Å; Y214-D350 VanDerWaalsContact CE2-OD2 3.25Å; Y214-D350 WeakPolarHBondContact CE2-OD2 3.32Å; Y214-D350 PolarHBondContact OH-OD2 2.96Å; Y214-Q377 HydrophobicContact CD2-CB 4.01Å; Y214-Q377 HydrophobicContact CE1-CB 4.41Å; Y214-Q377 HydrophobicContact CE2-CB 3.41Å; Y214-Q377 VanDerWaalsContact CE2-CB 3.41Å; Y214-F378 HydrophobicContact CD2-CB 4.48Å; Y214-F378 AromaticContact CD2-CD1 3.69Å; Y214-F378 HydrophobicContact CD2-CD1 3.69Å; Y214-F378 AromaticContact CD2-CD2 3.45Å; Y214-F378 HydrophobicContact CD2-CD2 3.45Å; Y214-F378 VanDerWaalsContact CD2-CD2 3.45Å; Y214-F378 AromaticContact CD2-CE1 3.62Å; Y214-F378 HydrophobicContact CD2-CE1 3.62Å; Y214-F378 AromaticContact CD2-CE2 3.36Å; Y214-F378 HydrophobicContact CD2-CE2 3.36Å; Y214-F378 AromaticContact CD2-CG 3.61Å; Y214-F378 HydrophobicContact CD2-CG 3.61Å; Y214-F378 AromaticContact CD2-CZ 3.45Å; Y214-F378 HydrophobicContact CD2-CZ 3.45Å; Y214-F378 VanDerWaalsContact CD2-CZ 3.45Å; Y214-F378 AromaticContact CE2-CD2 3.69Å; Y214-F378 HydrophobicContact CE2-CD2 3.69Å; Y214-F378 AromaticContact CE2-CE2 3.59Å; Y214-F378 HydrophobicContact CE2-CE2 3.59Å; Y214-F378 HydrophobicContact CE2-CG 4.26Å; Y214-F378 HydrophobicContact CE2-CZ 4.09Å; Y214-F378 HydrophobicContact CG-CD1 4.32Å; Y214-F378 HydrophobicContact CG-CE1 4.01Å; Y214-F378 HydrophobicContact CG-CE2 4.34Å; Y214-F378 HydrophobicContact CG-CZ 4.01Å
215K95.2Very high91.9Very high84 Ų8430.2 Ų30.237%0.36514%0.14SC..SBendtrans-58.8-36.6178-72.8170.2-177.3157.80112.6Q377 D379K215-Q377 WeakPolarHBondContact CB-O 3.35Å; K215-Q377 VanDerWaalsContact CG-O 3.27Å; K215-Q377 WeakPolarHBondContact CG-O 3.43Å; K215-Q377 PolarHBondContact N-O 3.36Å; K215-D379 WeakPolarHBondContact CE-OD1 3.32Å; K215-D379 WeakPolarHBondContact CE-OD2 3.22Å; K215-D379 IonicContact NZ-OD1 3.76Å; K215-D379 PolarHBondContact NZ-OD1 3.2Å; K215-D379 IonicContact NZ-OD2 3.87Å; K215-D379 PolarHBondContact NZ-OD2 3.48Å
216L94.2Very high91.4Very high26 Ų2630.7 Ų30.714%0.13614%0.139CC..  trans-86.5120.8-177.5-53.6-179.1000110.1Y214 E263 L343 Q377Y214-L216 HydrophobicContact CD1-CB 3.85Å; Y214-L216 VanDerWaalsContact CD1-O 3.22Å; Y214-L216 WeakPolarHBondContact CD1-O 3.49Å; Y214-L216 HydrophobicContact CE1-CB 3.7Å; Y214-L216 HydrophobicContact CE1-CD1 4.18Å; Y214-L216 HydrophobicContact CE1-CG 4.19Å; Y214-L216 PolarHBondContact O-N 2.83Å; L216-E263 WeakPolarHBondContact CD2-OE1 3.31Å; L216-L343 HydrophobicContact CB-CD1 3.93Å; L216-L343 HydrophobicContact CB-CG 4.22Å; L216-Q377 HydrophobicContact CD1-CB 4.48Å; L216-Q377 HydrophobicContact CD1-CG 4.03Å; L216-Q377 HydrophobicContact CG-CB 4.33Å; L216-Q377 HydrophobicContact CG-CG 4.25Å
217G93.6Very high90.7Very high0 Ų033.1 Ų33.10%015%0.152CC..  trans-144.3-165.6169.500000109.6R198 T261 T262R198-G217 WeakPolarHBondContact O-CA 3.34Å; G217-T261 WeakPolarHBondContact O-CA 3.48Å; G217-T262 WeakPolarHBondContact CA-OG1 3.42Å; G217-T262 PolarHBondContact N-OG1 3.14Å; G217-T262 VanDerWaalsContact N-OG1 3.13Å; G217-T262 PolarHBondContact O-N 3.44Å; G217-T262 PolarHBondContact O-OG1 3.46Å
218F93.4Very high89.9Confident11 Ų1131.7 Ų31.75%0.04816%0.155CC..EExtended strand (participates in β ladder)trans-152.9145.2176.253.1-92.5000113.5R198 Y200 R220 K259 W260 T262 L343R198-F218 HydrophobicContact CB-CD2 4.01Å; R198-F218 HydrophobicContact CB-CE1 4.4Å; R198-F218 HydrophobicContact CB-CE2 3.69Å; R198-F218 HydrophobicContact CB-CG 4.48Å; R198-F218 HydrophobicContact CB-CZ 3.91Å; R198-F218 WeakPolarHBondContact CB-O 3.33Å; R198-F218 HydrophobicContact CG-CE1 4Å; R198-F218 HydrophobicContact CG-CE2 3.95Å; R198-F218 HydrophobicContact CG-CZ 3.62Å; R198-F218 PolarHBondContact N-O 2.8Å; R198-F218 PolarHBondContact O-N 2.83Å; Y200-F218 HydrophobicContact CE2-CE1 4.02Å; Y200-F218 WeakPolarHBondContact OH-CE1 3.29Å; F218-R220 HydrophobicContact CD2-CG 3.67Å; F218-R220 HydrophobicContact CE2-CG 3.61Å; F218-K259 HydrophobicContact CD2-CD 4.04Å; F218-K259 HydrophobicContact CD2-CG 4.37Å; F218-K259 HydrophobicContact CE2-CD 4.41Å; F218-K259 HydrophobicContact CG-CD 4.43Å; F218-W260 CarbonylContact C-O 3.52Å; F218-W260 WeakPolarHBondContact CA-O 3.44Å; F218-W260 VanDerWaalsContact CB-O 3.23Å; F218-W260 WeakPolarHBondContact CB-O 3.36Å; F218-T262 PolarHBondContact N-OG1 3Å; F218-L343 HydrophobicContact CD1-CD1 4.27Å
219C94.2Very high88.9Confident0 Ų033.8 Ų33.80%017%0.165CC..EExtended strand (participates in β ladder)trans-79.1135.4163.5-59.80000109.7F195 D196 F221 K259 W260F195-C219 HydrophobicContact CD2-CB 3.67Å; F195-C219 HydrophobicContact CE2-CB 4.29Å; F195-C219 HydrophobicContact CG-CB 4.37Å; D196-C219 CarbonylContact O-C 3.51Å; D196-C219 WeakPolarHBondContact O-CA 3.32Å; C219-F221 HydrophobicContact CB-CD2 4.46Å; C219-F221 HydrophobicContact CB-CE2 3.79Å; C219-F221 HydrophobicContact CB-CZ 4.16Å; C219-K259 WeakPolarHBondContact O-CA 3.48Å; C219-W260 HydrophobicContact CB-CB 4.35Å; C219-W260 PolarHBondContact N-O 3.37Å; C219-W260 PolarHBondContact O-N 3.36Å; C219-W260 VanDerWaalsContact O-N 3.14Å
220R91.4Very high87.6Confident18 Ų1838.2 Ų38.27%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-107.7116.4171.3-63.8177.3-76.4-173.3-1.2109.3F195 D196 F218 T241 D313F195-R220 WeakPolarHBondContact CA-O 3.49Å; F195-R220 VanDerWaalsContact CB-O 3.29Å; F195-R220 WeakPolarHBondContact CB-O 3.47Å; D196-R220 VanDerWaalsContact CG-NE 3.29Å; D196-R220 PolarHBondContact N-O 2.88Å; D196-R220 VanDerWaalsContact N-O 3.09Å; D196-R220 PolarHBondContact O-N 3.01Å; D196-R220 WeakPolarHBondContact OD1-CB 3.23Å; D196-R220 IonicContact OD1-CZ 2.66Å; D196-R220 IonicContact OD1-NE 2.65Å; D196-R220 PolarHBondContact OD1-NE 3.07Å; D196-R220 IonicContact OD1-NH2 2.74Å; D196-R220 PolarHBondContact OD1-NH2 3.18Å; D196-R220 IonicContact OD2-CZ 2.71Å; D196-R220 IonicContact OD2-NE 2.75Å; D196-R220 PolarHBondContact OD2-NE 3.05Å; D196-R220 IonicContact OD2-NH2 3.84Å; D196-R220 PolarHBondContact OD2-NH2 2.85Å; F218-R220 HydrophobicContact CD2-CG 3.67Å; F218-R220 HydrophobicContact CE2-CG 3.61Å; R220-T241 WeakPolarHBondContact O-CG2 3.49Å; R220-D313 IonicContact CZ-OD2 3.96Å; R220-D313 IonicContact NH1-OD2 3.11Å; R220-D313 IonicContact NH2-OD1 2.74Å; R220-D313 IonicContact NH2-OD2 3.49Å; R220-D313 PolarHBondContact NH2-OD2 3.2Å
221F90.4Very high86.1Confident25 Ų2541.6 Ų41.611%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-90.8147.5-179.1-70-87.8000112.3I190 K193 F195 C219 G258 W260I190-F221 HydrophobicContact CB-CE1 3.89Å; I190-F221 HydrophobicContact CB-CZ 4.36Å; I190-F221 HydrophobicContact CD1-CE1 4.09Å; I190-F221 HydrophobicContact CD1-CZ 3.91Å; I190-F221 HydrophobicContact CG1-CE1 4.41Å; K193-F221 HydrophobicContact CB-CD1 4.21Å; F195-F221 HydrophobicContact CB-CD1 3.58Å; F195-F221 HydrophobicContact CB-CD2 4.48Å; F195-F221 HydrophobicContact CB-CE1 3.62Å; F195-F221 HydrophobicContact CB-CG 4.02Å; F195-F221 HydrophobicContact CB-CZ 4.15Å; F195-F221 HydrophobicContact CD1-CD1 4.4Å; F195-F221 AromaticContact CD1-CE1 3.76Å; F195-F221 HydrophobicContact CD1-CE1 3.76Å; F195-F221 HydrophobicContact CD1-CZ 4.36Å; F195-F221 HydrophobicContact CG-CD1 4.27Å; F195-F221 AromaticContact CG-CE1 3.79Å; F195-F221 HydrophobicContact CG-CE1 3.79Å; F195-F221 HydrophobicContact CG-CZ 4.16Å; C219-F221 HydrophobicContact CB-CD2 4.46Å; C219-F221 HydrophobicContact CB-CE2 3.79Å; C219-F221 HydrophobicContact CB-CZ 4.16Å; F221-G258 WeakPolarHBondContact CB-O 3.37Å; F221-G258 WeakPolarHBondContact CD2-O 3.47Å; F221-G258 PolarHBondContact N-O 3.09Å; F221-W260 HydrophobicContact CE2-CB 3.88Å; F221-W260 AromaticContact CE2-CD2 3.93Å; F221-W260 HydrophobicContact CE2-CD2 3.93Å; F221-W260 HydrophobicContact CE2-CE3 4.2Å; F221-W260 AromaticContact CE2-CG 3.77Å; F221-W260 HydrophobicContact CE2-CG 3.77Å; F221-W260 HydrophobicContact CZ-CD2 4.05Å; F221-W260 AromaticContact CZ-CE3 3.88Å; F221-W260 HydrophobicContact CZ-CE3 3.88Å; F221-W260 HydrophobicContact CZ-CG 4.36Å; F221-W260 HydrophobicContact CZ-CZ3 4.5Å
222C85.3Confident84.8Confident2 Ų244.8 Ų44.81%0.01423%0.233CC..  trans-65.3148.3160.1-66.50000110.3K194 V238 T241K194-C222 PolarHBondContact O-N 3.04Å; C222-V238 PolarHBondContact SG-O 2.93Å; C222-T241 VanDerWaalsContact SG-CG2 3.51Å
223T78Confident83.4Confident11 Ų1145.1 Ų45.17%0.06724%0.236CC..SBendtrans-71.4-35.9176.248.30000111.7K193 Q246 Y252K193-T223 WeakPolarHBondContact CE-O 3.32Å; K193-T223 PolarHBondContact NZ-O 2.89Å; T223-Q246 VanDerWaalsContact CB-OE1 3.25Å; T223-Q246 HydrophobicContact CG2-CB 4.31Å; T223-Q246 PolarHBondContact OG1-OE1 2.92Å; T223-Y252 HydrophobicContact CG2-CD2 3.94Å; T223-Y252 HydrophobicContact CG2-CG 4.49Å
224V79.9Confident81.9Confident55 Ų5551.3 Ų51.333%0.33327%0.268SS..SBendtrans-96.7153.3-177-169.90000111F237 V238V224-F237 HydrophobicContact CG2-CB 4.21Å; V224-V238 HydrophobicContact CB-CG2 4.11Å; V224-V238 HydrophobicContact CG1-CG2 3.96Å
225R83Confident80.5Confident183 Ų18353.6 Ų53.669%0.69128%0.281SS*.PPolyproline II helixtrans-62.4145170.4-75.2-175.7172.9168.40.9110.2G192 N227G192-R225 CarbonylContact O-C 3.54Å; G192-R225 VanDerWaalsContact O-CA 3.3Å; G192-R225 WeakPolarHBondContact O-CA 3.16Å; R225-N227 PolarHBondContact O-N 3.28Å
226Y83.5Confident79.3Confident35 Ų3553.1 Ų53.114%0.13728%0.281CS..PPolyproline II helixtrans-68.6129.3178.4-173.2-109.1000110.2Y183 E185 P187 L189 G192 K194 V238 H239Y183-Y226 WeakPolarHBondContact CE1-OH 3.49Å; Y183-Y226 WeakPolarHBondContact OH-CE2 3.39Å; Y183-Y226 PolarHBondContact OH-OH 3.33Å; E185-Y226 WeakPolarHBondContact O-CE1 3.4Å; E185-Y226 PolarHBondContact O-OH 3.03Å; P187-Y226 HydrophobicContact CG-CD1 4.3Å; P187-Y226 HydrophobicContact CG-CD2 4.3Å; P187-Y226 HydrophobicContact CG-CE1 3.96Å; P187-Y226 HydrophobicContact CG-CE2 3.99Å; P187-Y226 HydrophobicContact CG-CG 4.43Å; L189-Y226 HydrophobicContact CD1-CD1 4.05Å; L189-Y226 HydrophobicContact CD1-CG 4.43Å; L189-Y226 HydrophobicContact CD2-CD1 4Å; L189-Y226 HydrophobicContact CD2-CG 3.8Å; G192-Y226 PolarHBondContact O-N 2.61Å; K194-Y226 HydrophobicContact CB-CD2 3.91Å; K194-Y226 HydrophobicContact CB-CG 4.43Å; K194-Y226 HydrophobicContact CD-CD2 4.09Å; K194-Y226 HydrophobicContact CD-CE2 4.02Å; Y226-V238 HydrophobicContact CD2-CG1 4.19Å; Y226-H239 AromaticContact CE2-ND1 3.84Å
227N78.9Confident77.9Confident52 Ų5255 Ų5528%0.27829%0.288SS..  trans-129.1131.4168.4-167.8-8.5000108.4R225 D229 E232 H239R225-N227 PolarHBondContact O-N 3.28Å; N227-D229 PolarHBondContact ND2-OD2 3.34Å; N227-D229 WeakPolarHBondContact OD1-CB 3.35Å; N227-D229 PolarHBondContact OD1-N 2.97Å; N227-D229 PolarHBondContact OD1-OD2 3.09Å; N227-D229 VanDerWaalsContact OD1-OD2 3.08Å; N227-E232 HydrophobicContact CB-CB 4.44Å; N227-E232 HydrophobicContact CB-CG 4.32Å; N227-H239 PolarHBondContact O-CE1 3.02Å; N227-H239 VanDerWaalsContact O-CE1 3.25Å
228S74.8Confident76.5Confident80 Ų8055 Ų5556%0.55929%0.288SS*.  trans-90.2-2.7175.551.90000113.1
229D72.8Confident75.5Confident85 Ų8554.7 Ų54.746%0.45529%0.286SS..  trans-60.9137.4-178.4-69.3-28.2000111.7N227 S231 E232N227-D229 PolarHBondContact ND2-OD2 3.34Å; N227-D229 WeakPolarHBondContact OD1-CB 3.35Å; N227-D229 PolarHBondContact OD1-N 2.97Å; N227-D229 PolarHBondContact OD1-OD2 3.09Å; N227-D229 VanDerWaalsContact OD1-OD2 3.08Å; D229-S231 PolarHBondContact O-N 3.4Å; D229-S231 VanDerWaalsContact O-N 3.09Å; D229-E232 PolarHBondContact O-N 2.97Å
230V66.7Low74.5Confident92 Ų9255.2 Ų55.256%0.55829%0.289SS*.G310 helixtrans-57.2-29.6-178.8169.50000112.5N151 E232 L233N151-V230 WeakPolarHBondContact ND2-CG1 3.43Å; V230-E232 VanDerWaalsContact C-N 3.27Å; V230-E232 PolarHBondContact O-N 3.19Å; V230-L233 HydrophobicContact CB-CD1 4.28Å; V230-L233 HydrophobicContact CG1-CD1 4.19Å; V230-L233 HydrophobicContact CG2-CD1 4.34Å; V230-L233 PolarHBondContact O-N 3.37Å
231S65.1Low73.6Confident97 Ų9755 Ų5568%0.67829%0.29SS*.G310 helixtrans-67.1-25.7177.552.10000113.5D229D229-S231 PolarHBondContact O-N 3.4Å; D229-S231 VanDerWaalsContact O-N 3.09Å
232E69Low73Confident66 Ų6654.8 Ų54.831%0.30829%0.29SS..G310 helixtrans-970.1-178-68.4-64.9143.400112.9N227 D229 V230 D234 N235 H239N227-E232 HydrophobicContact CB-CB 4.44Å; N227-E232 HydrophobicContact CB-CG 4.32Å; D229-E232 PolarHBondContact O-N 2.97Å; V230-E232 VanDerWaalsContact C-N 3.27Å; V230-E232 PolarHBondContact O-N 3.19Å; E232-D234 PolarHBondContact O-N 3.24Å; E232-N235 WeakPolarHBondContact O-CA 3.44Å; E232-N235 WeakPolarHBondContact O-CB 3.36Å; E232-N235 PolarHBondContact O-N 3.03Å; E232-N235 WeakPolarHBondContact OE2-CB 3.49Å; E232-N235 PolarHBondContact OE2-ND2 2.89Å; E232-H239 PolarHBondContact O-NE2 2.97Å
233L66.9Low72Confident15 Ų1556.1 Ų56.18%0.07930%0.298CS..THydrogen-bonded Turntrans-61.4-28.8-177.8-74.8171.1000113.9T133 L149 N151 V230 N235T133-L233 HydrophobicContact CG2-CD2 3.96Å; L149-L233 HydrophobicContact CB-CD2 4.43Å; L149-L233 VanDerWaalsContact CD1-O 3.3Å; L149-L233 WeakPolarHBondContact CD1-O 3.44Å; L149-L233 HydrophobicContact CD2-CD2 4.27Å; N151-L233 HydrophobicContact CB-CD1 4.02Å; N151-L233 WeakPolarHBondContact ND2-CD1 3.47Å; V230-L233 HydrophobicContact CB-CD1 4.28Å; V230-L233 HydrophobicContact CG1-CD1 4.19Å; V230-L233 HydrophobicContact CG2-CD1 4.34Å; V230-L233 PolarHBondContact O-N 3.37Å; L233-N235 VanDerWaalsContact C-N 3.27Å
234D65.8Low71.4Confident139 Ų13958 Ų5874%0.74331%0.312SS*.THydrogen-bonded Turntrans-78.5-13.9175.1-71.4-26.7000112E232 M236E232-D234 PolarHBondContact O-N 3.24Å; D234-M236 PolarHBondContact O-N 3.06Å
235N67.5Low70.8Confident50 Ų5056.6 Ų56.627%0.26730%0.302SS..  trans-78.385.1177.9-166.6-12000111E232 L233 F237 V238 H239E232-N235 WeakPolarHBondContact O-CA 3.44Å; E232-N235 WeakPolarHBondContact O-CB 3.36Å; E232-N235 PolarHBondContact O-N 3.03Å; E232-N235 WeakPolarHBondContact OE2-CB 3.49Å; E232-N235 PolarHBondContact OE2-ND2 2.89Å; L233-N235 VanDerWaalsContact C-N 3.27Å; N235-F237 PolarHBondContact O-N 3.16Å; N235-F237 PolarHBondContact OD1-N 3.37Å; N235-V238 HydrophobicContact CB-CG2 4.09Å; N235-V238 WeakPolarHBondContact O-CB 3.36Å; N235-V238 PolarHBondContact O-N 3.42Å; N235-H239 PolarHBondContact O-CD2 2.84Å
236M71.4Confident70.1Confident74 Ų7448 Ų4837%0.36527%0.27SS..Hα-helixtrans-54.8-25.4-179.4-66.1178.475.900113.7D234 V238 H239 L240 I245D234-M236 PolarHBondContact O-N 3.06Å; M236-V238 VanDerWaalsContact C-N 3.29Å; M236-V238 PolarHBondContact O-N 3.4Å; M236-H239 PolarHBondContact O-N 2.64Å; M236-L240 HydrophobicContact CB-CD1 4.14Å; M236-L240 HydrophobicContact CE-CD1 3.39Å; M236-L240 HydrophobicContact CG-CD1 4.3Å; M236-L240 WeakPolarHBondContact O-CB 3.48Å; M236-L240 PolarHBondContact O-N 3.2Å; M236-I245 HydrophobicContact CB-CG2 4.48Å; M236-I245 HydrophobicContact CE-CD1 4.13Å
237F64.9Low69.2Low65 Ų6551.4 Ų51.429%0.28529%0.285SS..Hα-helixtrans-69.9-23.8178.7-63.4-80.5000113.6V224 N235 I245 Q246 H248V224-F237 HydrophobicContact CG2-CB 4.21Å; N235-F237 PolarHBondContact O-N 3.16Å; N235-F237 PolarHBondContact OD1-N 3.37Å; F237-I245 HydrophobicContact CD1-CG2 4.11Å; F237-I245 HydrophobicContact CE1-CG2 4.18Å; F237-I245 WeakPolarHBondContact CE1-O 3.39Å; F237-Q246 PolarHBondContact O-NE2 3.2Å; F237-H248 HydrophobicContact CE1-CB 4.01Å; F237-H248 HydrophobicContact CZ-CB 4.1Å
238V63.7Low68.6Low1 Ų156 Ų561%0.00631%0.305CS..Hα-helixtrans-79.8-37.3176.2178.80000110.4C222 V224 Y226 N235 M236C222-V238 PolarHBondContact SG-O 2.93Å; V224-V238 HydrophobicContact CB-CG2 4.11Å; V224-V238 HydrophobicContact CG1-CG2 3.96Å; Y226-V238 HydrophobicContact CD2-CG1 4.19Å; N235-V238 HydrophobicContact CB-CG2 4.09Å; N235-V238 WeakPolarHBondContact O-CB 3.36Å; N235-V238 PolarHBondContact O-N 3.42Å; M236-V238 VanDerWaalsContact C-N 3.29Å; M236-V238 PolarHBondContact O-N 3.4Å
239H71.9Confident68Low3 Ų352.8 Ų52.81%0.01428%0.284CS..Hα-helixtrans-101.9-24.7-166.3-62.3-62.9000115.3L149 Y183 K194 Y226 N227 E232 N235 M236L149-H239 HydrophobicContact CD1-CB 3.89Å; Y183-H239 AromaticContact CZ-ND1 3.79Å; Y183-H239 PolarHBondContact OH-ND1 3.47Å; Y183-H239 VanDerWaalsContact OH-ND1 3.07Å; K194-H239 PolarHBondContact NZ-O 2.88Å; Y226-H239 AromaticContact CE2-ND1 3.84Å; N227-H239 PolarHBondContact O-CE1 3.02Å; N227-H239 VanDerWaalsContact O-CE1 3.25Å; E232-H239 PolarHBondContact O-NE2 2.97Å; N235-H239 PolarHBondContact O-CD2 2.84Å; M236-H239 PolarHBondContact O-N 2.64Å
240L74.4Confident67.6Low12 Ų1255.5 Ų55.56%0.06330%0.304CS..  trans-114115.6-174.7-58.1-179.8000112.4I135 I147 M236 N242 I245 Q246I135-L240 HydrophobicContact CD1-CD2 4.23Å; I147-L240 HydrophobicContact CB-CD1 4.24Å; I147-L240 HydrophobicContact CD1-CD2 4.5Å; I147-L240 HydrophobicContact CG2-CD1 4.23Å; I147-L240 HydrophobicContact CG2-CD2 3.87Å; M236-L240 HydrophobicContact CB-CD1 4.14Å; M236-L240 HydrophobicContact CE-CD1 3.39Å; M236-L240 HydrophobicContact CG-CD1 4.3Å; M236-L240 WeakPolarHBondContact O-CB 3.48Å; M236-L240 PolarHBondContact O-N 3.2Å; L240-N242 VanDerWaalsContact C-N 3.31Å; L240-N242 PolarHBondContact O-N 3.4Å; L240-I245 HydrophobicContact CB-CD1 3.82Å; L240-I245 HydrophobicContact CD1-CD1 3.46Å; L240-I245 VanDerWaalsContact CD1-CD1 3.46Å; L240-I245 HydrophobicContact CG-CD1 4.29Å; L240-Q246 PolarHBondContact O-NE2 3.08Å
241T72.2Confident67.7Low12 Ų1258 Ų587%0.07431%0.309CS..  trans-82.1-3.1-175.950.20000114.2D196 R220 C222 V243D196-T241 HydrophobicContact CB-CG2 4.47Å; D196-T241 WeakPolarHBondContact OD1-CB 3.29Å; D196-T241 PolarHBondContact OD1-OG1 2.82Å; R220-T241 WeakPolarHBondContact O-CG2 3.49Å; C222-T241 VanDerWaalsContact SG-CG2 3.51Å; T241-V243 PolarHBondContact O-N 3.12Å
242N77.2Confident67.6Low22 Ų2255.6 Ų55.612%0.11829%0.285CS..  trans-60.4128.4-177.3-66.972.6000111.4L240 S244 I245 Q246L240-N242 VanDerWaalsContact C-N 3.31Å; L240-N242 PolarHBondContact O-N 3.4Å; N242-S244 PolarHBondContact O-N 3.38Å; N242-S244 VanDerWaalsContact O-N 3.13Å; N242-I245 HydrophobicContact CB-CD1 4.41Å; N242-I245 PolarHBondContact O-N 2.95Å; N242-Q246 WeakPolarHBondContact O-CG 3.42Å; N242-Q246 PolarHBondContact O-N 3.46Å
243V65.6Low67.5Low30 Ų3056.1 Ų56.118%0.18229%0.29CS..Hα-helixtrans-55-34.5178.5176.50000112.5T241 I245 Q246 K247 T336T241-V243 PolarHBondContact O-N 3.12Å; V243-I245 PolarHBondContact O-N 3.44Å; V243-Q246 PolarHBondContact O-N 3.09Å; V243-K247 HydrophobicContact CG1-CD 3.95Å; V243-K247 VanDerWaalsContact CG1-CE 3.47Å; V243-K247 HydrophobicContact CG1-CG 3.9Å; V243-K247 WeakPolarHBondContact O-CB 3.13Å; V243-K247 VanDerWaalsContact O-CG 3.22Å; V243-K247 WeakPolarHBondContact O-CG 3.09Å; V243-K247 PolarHBondContact O-N 2.89Å; V243-T336 HydrophobicContact CG1-CG2 4.35Å
244S64.2Low67.6Low50 Ų5059.6 Ų59.635%0.3532%0.316SS..Hα-helixtrans-58.4-31.5175.8390000113.4R143 N242R143-S244 PolarHBondContact O-OG 3.11Å; N242-S244 PolarHBondContact O-N 3.38Å; N242-S244 VanDerWaalsContact O-N 3.13Å
245I67.9Low67.5Low25 Ų2558.7 Ų58.713%0.12831%0.31CS..Hα-helixtrans-89.6-49.1177.8-61173.7000108.6M236 F237 L240 N242 V243 K247 H248M236-I245 HydrophobicContact CB-CG2 4.48Å; M236-I245 HydrophobicContact CE-CD1 4.13Å; F237-I245 HydrophobicContact CD1-CG2 4.11Å; F237-I245 HydrophobicContact CE1-CG2 4.18Å; F237-I245 WeakPolarHBondContact CE1-O 3.39Å; L240-I245 HydrophobicContact CB-CD1 3.82Å; L240-I245 HydrophobicContact CD1-CD1 3.46Å; L240-I245 VanDerWaalsContact CD1-CD1 3.46Å; L240-I245 HydrophobicContact CG-CD1 4.29Å; N242-I245 HydrophobicContact CB-CD1 4.41Å; N242-I245 PolarHBondContact O-N 2.95Å; V243-I245 PolarHBondContact O-N 3.44Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.4Å; I245-H248 PolarHBondContact O-N 3.08Å; I245-H248 VanDerWaalsContact O-N 3.12Å
246Q67.6Low67.6Low3 Ų362 Ų621%0.01432%0.324CS..Hα-helixtrans-64.1-26.2-173.1-67-61.2-30.700114.6T223 F237 L240 N242 V243 H248 G249 Y252T223-Q246 VanDerWaalsContact CB-OE1 3.25Å; T223-Q246 HydrophobicContact CG2-CB 4.31Å; T223-Q246 PolarHBondContact OG1-OE1 2.92Å; F237-Q246 PolarHBondContact O-NE2 3.2Å; L240-Q246 PolarHBondContact O-NE2 3.08Å; N242-Q246 WeakPolarHBondContact O-CG 3.42Å; N242-Q246 PolarHBondContact O-N 3.46Å; V243-Q246 PolarHBondContact O-N 3.09Å; Q246-H248 PolarHBondContact O-N 2.91Å; Q246-H248 VanDerWaalsContact O-N 3.16Å; Q246-G249 PolarHBondContact O-N 3.21Å; Q246-Y252 HydrophobicContact CB-CD2 4.33Å; Q246-Y252 HydrophobicContact CB-CE2 4.48Å; Q246-Y252 WeakPolarHBondContact O-CD2 3.43Å
247K64.3Low67.6Low106 Ų10658.7 Ų58.746%0.46131%0.308SS..THydrogen-bonded Turntrans-60.3-21.4175.2-82.6179.5175-164.60114.2V243 I245 Y252V243-K247 HydrophobicContact CG1-CD 3.95Å; V243-K247 VanDerWaalsContact CG1-CE 3.47Å; V243-K247 HydrophobicContact CG1-CG 3.9Å; V243-K247 WeakPolarHBondContact O-CB 3.13Å; V243-K247 VanDerWaalsContact O-CG 3.22Å; V243-K247 WeakPolarHBondContact O-CG 3.09Å; V243-K247 PolarHBondContact O-N 2.89Å; I245-K247 VanDerWaalsContact C-N 3.27Å; I245-K247 PolarHBondContact O-N 3.4Å; K247-Y252 HydrophobicContact CG-CD1 4.4Å; K247-Y252 HydrophobicContact CG-CE1 3.9Å; K247-Y252 HydrophobicContact CG-CE2 4.46Å
248H67.6Low68.3Low149 Ų14957 Ų5769%0.6931%0.309SS*.THydrogen-bonded Turntrans-90.9-2.5177.2-58.2-43.5000112.7F237 I245 Q246F237-H248 HydrophobicContact CE1-CB 4.01Å; F237-H248 HydrophobicContact CZ-CB 4.1Å; I245-H248 PolarHBondContact O-N 3.08Å; I245-H248 VanDerWaalsContact O-N 3.12Å; Q246-H248 PolarHBondContact O-N 2.91Å; Q246-H248 VanDerWaalsContact O-N 3.16Å
249G61.4Low69.5Low13 Ų1358.3 Ų58.313%0.13432%0.315CS..SBendtrans-75.8137.617700000112Q246 H251 Y252Q246-G249 PolarHBondContact O-N 3.21Å; G249-H251 PolarHBondContact O-N 3.38Å; G249-H251 VanDerWaalsContact O-N 3.16Å; G249-Y252 VanDerWaalsContact O-CB 3.29Å; G249-Y252 WeakPolarHBondContact O-CB 3.37Å; G249-Y252 PolarHBondContact O-N 2.89Å
250V65Low70.4Confident142 Ų14262.4 Ų62.486%0.86133%0.33SS*.THydrogen-bonded Turntrans-57.5-32.3-178-173.50000112.5
251H67.9Low71.2Confident145 Ų14564.2 Ų64.267%0.67134%0.342SS*.THydrogen-bonded Turntrans-95.316.6-178.9-59.8-63.1000113.9G249 N253G249-H251 PolarHBondContact O-N 3.38Å; G249-H251 VanDerWaalsContact O-N 3.16Å; H251-N253 PolarHBondContact O-N 3.27Å
252Y63.7Low72.3Confident45 Ų4564.1 Ų64.118%0.17634%0.341CS..  trans-71.2111.3178.1-171.3-102.6000110.8T223 Q246 K247 G249 S254 G257T223-Y252 HydrophobicContact CG2-CD2 3.94Å; T223-Y252 HydrophobicContact CG2-CG 4.49Å; Q246-Y252 HydrophobicContact CB-CD2 4.33Å; Q246-Y252 HydrophobicContact CB-CE2 4.48Å; Q246-Y252 WeakPolarHBondContact O-CD2 3.43Å; K247-Y252 HydrophobicContact CG-CD1 4.4Å; K247-Y252 HydrophobicContact CG-CE1 3.9Å; K247-Y252 HydrophobicContact CG-CE2 4.46Å; G249-Y252 VanDerWaalsContact O-CB 3.29Å; G249-Y252 WeakPolarHBondContact O-CB 3.37Å; G249-Y252 PolarHBondContact O-N 2.89Å; Y252-S254 PolarHBondContact O-N 3.47Å; Y252-G257 WeakPolarHBondContact CE2-O 3.28Å; Y252-G257 WeakPolarHBondContact OH-CA 3.43Å; Y252-G257 PolarHBondContact OH-O 3.13Å
253N66.8Low73Confident78 Ų7868.4 Ų68.442%0.41736%0.36SS..  trans-83.2111.3172.8-174.7-34000109.3H251 I255 H256 G257H251-N253 PolarHBondContact O-N 3.27Å; N253-I255 VanDerWaalsContact C-N 3.29Å; N253-I255 PolarHBondContact O-N 3.45Å; N253-I255 WeakPolarHBondContact OD1-CA 3.47Å; N253-I255 VanDerWaalsContact OD1-CB 3.25Å; N253-I255 WeakPolarHBondContact OD1-CB 3.39Å; N253-I255 PolarHBondContact OD1-N 2.99Å; N253-H256 PolarHBondContact OD1-N 3.49Å; N253-G257 WeakPolarHBondContact O-CA 3.38Å; N253-G257 PolarHBondContact O-N 3.33Å
254S68Low74.4Confident88 Ų8870.9 Ų70.962%0.61537%0.372SS*.THydrogen-bonded Turntrans-69-21.6-179.955.10000114.2Y252Y252-S254 PolarHBondContact O-N 3.47Å
255I64.4Low75.9Confident120 Ų12068.5 Ų68.562%0.61536%0.356SS*.THydrogen-bonded Turntrans-71.4-51.2-177.9-57.8173.3000110.3N253 T337N253-I255 VanDerWaalsContact C-N 3.29Å; N253-I255 PolarHBondContact O-N 3.45Å; N253-I255 WeakPolarHBondContact OD1-CA 3.47Å; N253-I255 VanDerWaalsContact OD1-CB 3.25Å; N253-I255 WeakPolarHBondContact OD1-CB 3.39Å; N253-I255 PolarHBondContact OD1-N 2.99Å; I255-T337 WeakPolarHBondContact O-CG2 3.44Å
256H70Confident77.2Confident120 Ų12072 Ų7256%0.55637%0.368SS*.THydrogen-bonded Turntrans-99.8-11.9-180-58.4-59.8000113.2N253 G258 K259N253-H256 PolarHBondContact OD1-N 3.49Å; H256-G258 PolarHBondContact O-N 2.79Å; H256-G258 VanDerWaalsContact O-N 3.16Å; H256-K259 PolarHBondContact O-N 3.23Å; H256-K259 VanDerWaalsContact O-N 3.16Å
257G71.1Confident78.5Confident4 Ų477.5 Ų77.54%0.04140%0.396CS..THydrogen-bonded Turntrans66.512.4177.100000115.2Y252 N253Y252-G257 WeakPolarHBondContact CE2-O 3.28Å; Y252-G257 WeakPolarHBondContact OH-CA 3.43Å; Y252-G257 PolarHBondContact OH-O 3.13Å; N253-G257 WeakPolarHBondContact O-CA 3.38Å; N253-G257 PolarHBondContact O-N 3.33Å
258G80Confident80Confident30 Ų3075.6 Ų75.631%0.30939%0.386SS..THydrogen-bonded Turntrans65.637.6-170.700000112.5F221 H256F221-G258 WeakPolarHBondContact CB-O 3.37Å; F221-G258 WeakPolarHBondContact CD2-O 3.47Å; F221-G258 PolarHBondContact N-O 3.09Å; H256-G258 PolarHBondContact O-N 2.79Å; H256-G258 VanDerWaalsContact O-N 3.16Å
259K87.6Confident81.4Confident28 Ų2868.5 Ų68.512%0.12235%0.353CS..EExtended strand (participates in β ladder)trans-119.8141.8-177.5-63.7177179179.40112.6F218 C219 H256 T336 D340F218-K259 HydrophobicContact CD2-CD 4.04Å; F218-K259 HydrophobicContact CD2-CG 4.37Å; F218-K259 HydrophobicContact CE2-CD 4.41Å; F218-K259 HydrophobicContact CG-CD 4.43Å; C219-K259 WeakPolarHBondContact O-CA 3.48Å; H256-K259 PolarHBondContact O-N 3.23Å; H256-K259 VanDerWaalsContact O-N 3.16Å; K259-T336 PolarHBondContact NZ-OG1 2.89Å; K259-D340 IonicContact NZ-OD1 3.63Å; K259-D340 PolarHBondContact NZ-OD1 2.91Å; K259-D340 IonicContact NZ-OD2 3.93Å; K259-D340 PolarHBondContact NZ-OD2 3.38Å
260W90.8Very high83Confident89 Ų8970.7 Ų70.734%0.33736%0.36SS..EExtended strand (participates in β ladder)trans-114.3144.8161.4-81-5.6000109.9I190 F218 C219 F221 N264 W268I190-W260 HydrophobicContact CD1-CE3 4.17Å; I190-W260 HydrophobicContact CD1-CZ3 3.85Å; I190-W260 HydrophobicContact CG2-CH2 3.66Å; I190-W260 HydrophobicContact CG2-CZ3 3.71Å; F218-W260 CarbonylContact C-O 3.52Å; F218-W260 WeakPolarHBondContact CA-O 3.44Å; F218-W260 VanDerWaalsContact CB-O 3.23Å; F218-W260 WeakPolarHBondContact CB-O 3.36Å; C219-W260 HydrophobicContact CB-CB 4.35Å; C219-W260 PolarHBondContact N-O 3.37Å; C219-W260 PolarHBondContact O-N 3.36Å; C219-W260 VanDerWaalsContact O-N 3.14Å; F221-W260 HydrophobicContact CE2-CB 3.88Å; F221-W260 AromaticContact CE2-CD2 3.93Å; F221-W260 HydrophobicContact CE2-CD2 3.93Å; F221-W260 HydrophobicContact CE2-CE3 4.2Å; F221-W260 AromaticContact CE2-CG 3.77Å; F221-W260 HydrophobicContact CE2-CG 3.77Å; F221-W260 HydrophobicContact CZ-CD2 4.05Å; F221-W260 AromaticContact CZ-CE3 3.88Å; F221-W260 HydrophobicContact CZ-CE3 3.88Å; F221-W260 HydrophobicContact CZ-CG 4.36Å; F221-W260 HydrophobicContact CZ-CZ3 4.5Å; W260-N264 HydrophobicContact CB-CB 4.41Å; W260-W268 AromaticContact CH2-CD1 3.97Å; W260-W268 HydrophobicContact CH2-CG 4.23Å; W260-W268 HydrophobicContact CZ3-CB 3.99Å; W260-W268 HydrophobicContact CZ3-CD2 4.39Å; W260-W268 AromaticContact CZ3-CG 3.85Å; W260-W268 HydrophobicContact CZ3-CG 3.85Å
261T92.8Very high84.5Confident50 Ų5067.2 Ų67.231%0.30735%0.353SS..EExtended strand (participates in β ladder)trans-67.7154.7169.457.60000110.2G217 E263 N264 F265G217-T261 WeakPolarHBondContact O-CA 3.48Å; T261-E263 PolarHBondContact O-N 3.46Å; T261-N264 PolarHBondContact O-N 3.35Å; T261-N264 VanDerWaalsContact O-N 3.15Å; T261-N264 WeakPolarHBondContact OG1-CB 3.25Å; T261-N264 VanDerWaalsContact OG1-CG 3.26Å; T261-N264 PolarHBondContact OG1-N 3.17Å; T261-F265 PolarHBondContact O-N 3.09Å
262T93.7Very high85.8Confident9 Ų963.8 Ų63.86%0.05534%0.342CS..Hα-helixtrans-57.1-34173.3-52.60000111.8L197 L199 G217 F218 F265 R266 F282L197-T262 HydrophobicContact CD1-CG2 4.47Å; L199-T262 HydrophobicContact CD2-CG2 4.3Å; G217-T262 WeakPolarHBondContact CA-OG1 3.42Å; G217-T262 PolarHBondContact N-OG1 3.14Å; G217-T262 VanDerWaalsContact N-OG1 3.13Å; G217-T262 PolarHBondContact O-N 3.44Å; G217-T262 PolarHBondContact O-OG1 3.46Å; F218-T262 PolarHBondContact N-OG1 3Å; T262-F265 PolarHBondContact O-N 3.25Å; T262-R266 WeakPolarHBondContact O-CB 3.03Å; T262-R266 PolarHBondContact O-N 2.98Å; T262-F282 HydrophobicContact CG2-CE1 3.55Å; T262-F282 HydrophobicContact CG2-CZ 3.67Å
263E93.4Very high87.3Confident112 Ų11267 Ų6752%0.52336%0.357SS..Hα-helixtrans-62.2-47.3174.9-67.4174.9170.900112.2L216 T261 F265 R266 L267L216-E263 WeakPolarHBondContact CD2-OE1 3.31Å; T261-E263 PolarHBondContact O-N 3.46Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 3.31Å; E263-R266 PolarHBondContact O-N 3.43Å; E263-L267 WeakPolarHBondContact O-CB 3.38Å; E263-L267 PolarHBondContact O-N 2.88Å
264N94.3Very high88.6Confident82 Ų8264.5 Ų64.544%0.43935%0.35SS..Hα-helixtrans-65.1-38.8177.1-74.4-5.2000111.5W260 T261 L267 W268W260-N264 HydrophobicContact CB-CB 4.41Å; T261-N264 PolarHBondContact O-N 3.35Å; T261-N264 VanDerWaalsContact O-N 3.15Å; T261-N264 WeakPolarHBondContact OG1-CB 3.25Å; T261-N264 VanDerWaalsContact OG1-CG 3.26Å; T261-N264 PolarHBondContact OG1-N 3.17Å; N264-L267 PolarHBondContact O-N 2.84Å; N264-W268 WeakPolarHBondContact O-CB 3.46Å; N264-W268 PolarHBondContact O-N 3.12Å
265F95.7Very high90Very high0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-62.4-45.2174.3174.3-118.3000111.5L188 I190 F195 T261 T262 E263 W268 L269 L281 F282 I316L188-F265 HydrophobicContact CD2-CE2 4.3Å; L188-F265 HydrophobicContact CD2-CZ 4.31Å; I190-F265 HydrophobicContact CD1-CD2 3.82Å; I190-F265 HydrophobicContact CD1-CE2 3.92Å; F195-F265 HydrophobicContact CE2-CD2 4.31Å; F195-F265 AromaticContact CE2-CE2 3.97Å; F195-F265 HydrophobicContact CE2-CE2 3.97Å; F195-F265 HydrophobicContact CE2-CZ 4.2Å; F195-F265 HydrophobicContact CZ-CD2 4.2Å; F195-F265 AromaticContact CZ-CE2 3.55Å; F195-F265 HydrophobicContact CZ-CE2 3.55Å; F195-F265 AromaticContact CZ-CZ 3.93Å; F195-F265 HydrophobicContact CZ-CZ 3.93Å; T261-F265 PolarHBondContact O-N 3.09Å; T262-F265 PolarHBondContact O-N 3.25Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 3.31Å; F265-W268 HydrophobicContact CD2-CE3 4.3Å; F265-W268 HydrophobicContact CE2-CE3 4.14Å; F265-W268 HydrophobicContact CE2-CZ3 4.27Å; F265-W268 PolarHBondContact O-N 3.38Å; F265-L269 HydrophobicContact CZ-CD2 4.31Å; F265-L269 WeakPolarHBondContact O-CB 3.25Å; F265-L269 PolarHBondContact O-N 3.24Å; F265-L281 HydrophobicContact CE1-CD2 3.98Å; F265-L281 HydrophobicContact CZ-CD2 4Å; F265-F282 HydrophobicContact CD1-CZ 4.18Å; F265-F282 HydrophobicContact CE1-CZ 4.45Å; F265-I316 HydrophobicContact CE1-CD1 3.75Å; F265-I316 HydrophobicContact CZ-CD1 3.6Å
266R95.2Very high91.5Very high100 Ų10065.2 Ų65.238%0.37735%0.348SS..Hα-helixtrans-62.4-44.7176.8-171.7166-173.3-121.32.9111.5T262 E263 W268 L269 Q270 S278 D279 F282T262-R266 WeakPolarHBondContact O-CB 3.03Å; T262-R266 PolarHBondContact O-N 2.98Å; E263-R266 PolarHBondContact O-N 3.43Å; R266-W268 PolarHBondContact O-N 3.31Å; R266-L269 PolarHBondContact O-N 3.39Å; R266-Q270 HydrophobicContact CG-CG 4.49Å; R266-Q270 WeakPolarHBondContact O-CB 3.48Å; R266-Q270 VanDerWaalsContact O-CG 3.24Å; R266-Q270 WeakPolarHBondContact O-CG 3.36Å; R266-Q270 PolarHBondContact O-N 2.85Å; R266-S278 WeakPolarHBondContact CG-OG 3.14Å; R266-D279 IonicContact CZ-OD1 3.92Å; R266-D279 IonicContact NE-OD1 3.27Å; R266-D279 IonicContact NH2-OD1 3.68Å; R266-D279 PolarHBondContact NH2-OD1 3.22Å; R266-F282 HydrophobicContact CB-CE2 3.84Å; R266-F282 HydrophobicContact CB-CZ 4.1Å; R266-F282 HydrophobicContact CG-CD2 4.39Å; R266-F282 HydrophobicContact CG-CE2 3.73Å; R266-F282 HydrophobicContact CG-CZ 4.4Å
267L95.7Very high92.8Very high117 Ų11762 Ų6261%0.61334%0.337SS*.Hα-helixtrans-60.4-45.4175.9-178.763.5000111.6E263 N264 L269 Q270 G271E263-L267 WeakPolarHBondContact O-CB 3.38Å; E263-L267 PolarHBondContact O-N 2.88Å; N264-L267 PolarHBondContact O-N 2.84Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å; L267-Q270 PolarHBondContact O-N 2.8Å; L267-G271 PolarHBondContact O-N 3.23Å
268W96Very high94Very high67 Ų6761.8 Ų61.825%0.25434%0.335SS..Hα-helixtrans-60.3-43.317617685.3000111.8L188 I190 W260 N264 F265 R266 G271 T272L188-W268 HydrophobicContact CD2-CZ3 4.38Å; I190-W268 HydrophobicContact CB-CZ2 4.42Å; I190-W268 HydrophobicContact CD1-CD2 4.2Å; I190-W268 HydrophobicContact CD1-CE3 3.91Å; I190-W268 HydrophobicContact CD1-CH2 4.33Å; I190-W268 HydrophobicContact CD1-CZ3 3.99Å; I190-W268 HydrophobicContact CG1-CD2 4.31Å; I190-W268 HydrophobicContact CG1-CE3 4.15Å; I190-W268 HydrophobicContact CG1-CH2 3.68Å; I190-W268 HydrophobicContact CG1-CZ2 3.83Å; I190-W268 HydrophobicContact CG1-CZ3 3.85Å; I190-W268 HydrophobicContact CG2-CD2 4.49Å; I190-W268 HydrophobicContact CG2-CZ2 4.11Å; W260-W268 AromaticContact CH2-CD1 3.97Å; W260-W268 HydrophobicContact CH2-CG 4.23Å; W260-W268 HydrophobicContact CZ3-CB 3.99Å; W260-W268 HydrophobicContact CZ3-CD2 4.39Å; W260-W268 AromaticContact CZ3-CG 3.85Å; W260-W268 HydrophobicContact CZ3-CG 3.85Å; N264-W268 WeakPolarHBondContact O-CB 3.46Å; N264-W268 PolarHBondContact O-N 3.12Å; F265-W268 HydrophobicContact CD2-CE3 4.3Å; F265-W268 HydrophobicContact CE2-CE3 4.14Å; F265-W268 HydrophobicContact CE2-CZ3 4.27Å; F265-W268 PolarHBondContact O-N 3.38Å; R266-W268 PolarHBondContact O-N 3.31Å; W268-G271 PolarHBondContact O-N 3.02Å; W268-T272 HydrophobicContact CD2-CG2 4.4Å; W268-T272 HydrophobicContact CZ2-CG2 4.3Å; W268-T272 WeakPolarHBondContact O-CB 3.34Å; W268-T272 WeakPolarHBondContact O-CG2 3.5Å; W268-T272 PolarHBondContact O-N 3.36Å; W268-T272 PolarHBondContact O-OG1 3.17Å
269L95.2Very high94.8Very high0 Ų062.1 Ų62.10%033%0.329CS..Hα-helixtrans-66-43.7179.9-169.362.9000111.5F265 R266 L267 G271 T272 K273 G274 L281 F320F265-L269 HydrophobicContact CZ-CD2 4.31Å; F265-L269 WeakPolarHBondContact O-CB 3.25Å; F265-L269 PolarHBondContact O-N 3.24Å; R266-L269 PolarHBondContact O-N 3.39Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3Å; L269-G271 PolarHBondContact O-N 2.87Å; L269-T272 PolarHBondContact O-N 2.92Å; L269-K273 HydrophobicContact CD1-CB 4.22Å; L269-K273 HydrophobicContact CD1-CG 4.09Å; L269-K273 WeakPolarHBondContact O-CA 3.3Å; L269-K273 WeakPolarHBondContact O-CB 3.47Å; L269-K273 PolarHBondContact O-N 2.86Å; L269-G274 PolarHBondContact O-N 2.85Å; L269-L281 HydrophobicContact CD2-CB 4.4Å; L269-L281 HydrophobicContact CD2-CD2 3.46Å; L269-L281 VanDerWaalsContact CD2-CD2 3.46Å; L269-F320 HydrophobicContact CD1-CD1 3.85Å; L269-F320 HydrophobicContact CD1-CE1 3.42Å; L269-F320 VanDerWaalsContact CD1-CE1 3.42Å; L269-F320 HydrophobicContact CD1-CZ 4.4Å
270Q96.5Very high95.2Very high58 Ų5867 Ų6727%0.27135%0.35SS..Hα-helixtrans-62.4-42.7175.4-70178.61.300111.9R266 L267 G274R266-Q270 HydrophobicContact CG-CG 4.49Å; R266-Q270 WeakPolarHBondContact O-CB 3.48Å; R266-Q270 VanDerWaalsContact O-CG 3.24Å; R266-Q270 WeakPolarHBondContact O-CG 3.36Å; R266-Q270 PolarHBondContact O-N 2.85Å; L267-Q270 PolarHBondContact O-N 2.8Å; Q270-G274 WeakPolarHBondContact O-CA 3.38Å; Q270-G274 PolarHBondContact O-N 3.27Å
271G96.3Very high95.5Very high70 Ų7062.8 Ų62.872%0.72234%0.335SS*.Hα-helixtrans-70.4-29179.600000114.3L267 W268 L269L267-G271 PolarHBondContact O-N 3.23Å; W268-G271 PolarHBondContact O-N 3.02Å; L269-G271 PolarHBondContact O-N 2.87Å
272T95.2Very high95.7Very high72 Ų7261.5 Ų61.544%0.44233%0.325SS..Hα-helixtrans-102.6-29.2-17556.20000114.5W268 L269W268-T272 HydrophobicContact CD2-CG2 4.4Å; W268-T272 HydrophobicContact CZ2-CG2 4.3Å; W268-T272 WeakPolarHBondContact O-CB 3.34Å; W268-T272 WeakPolarHBondContact O-CG2 3.5Å; W268-T272 PolarHBondContact O-N 3.36Å; W268-T272 PolarHBondContact O-OG1 3.17Å; L269-T272 PolarHBondContact O-N 2.92Å
273K94.5Very high95.9Very high113 Ų11366 Ų6649%0.49135%0.349SS..Hα-helixtrans-126.3-8.7-174.1-58.1-68.5171.6173.90113.5L269 V277 F320L269-K273 HydrophobicContact CD1-CB 4.22Å; L269-K273 HydrophobicContact CD1-CG 4.09Å; L269-K273 WeakPolarHBondContact O-CA 3.3Å; L269-K273 WeakPolarHBondContact O-CB 3.47Å; L269-K273 PolarHBondContact O-N 2.86Å; K273-V277 HydrophobicContact CB-CB 4.2Å; K273-V277 HydrophobicContact CB-CG1 4.12Å; K273-V277 HydrophobicContact CB-CG2 4.49Å; K273-V277 WeakPolarHBondContact O-CG2 3.41Å; K273-F320 HydrophobicContact CB-CZ 4.46Å; K273-F320 HydrophobicContact CD-CE2 4.15Å; K273-F320 HydrophobicContact CD-CZ 3.67Å; K273-F320 HydrophobicContact CG-CE1 4.04Å; K273-F320 HydrophobicContact CG-CE2 4.36Å; K273-F320 HydrophobicContact CG-CZ 3.57Å
274G95Very high96.1Very high26 Ų2663.6 Ų63.627%0.26834%0.337SS..  trans92.9156.2179.400000113.7L269 Q270 V277 S278L269-G274 PolarHBondContact O-N 2.85Å; Q270-G274 WeakPolarHBondContact O-CA 3.38Å; Q270-G274 PolarHBondContact O-N 3.27Å; G274-V277 PolarHBondContact O-N 3.18Å; G274-S278 PolarHBondContact O-N 3.41Å
275K96.1Very high96.2Very high121 Ų12159.7 Ų59.753%0.52632%0.316SS..Hα-helixtrans-57.6-42.9180-175.1178.3-178.2-64.10114.4V277 S278 D279K275-V277 PolarHBondContact O-N 3.28Å; K275-S278 WeakPolarHBondContact O-CB 3.35Å; K275-S278 PolarHBondContact O-N 3.38Å; K275-S278 VanDerWaalsContact O-N 3.16Å; K275-D279 WeakPolarHBondContact CG-OD2 3.4Å; K275-D279 IonicContact NZ-OD2 3.09Å; K275-D279 PolarHBondContact NZ-OD2 3.42Å; K275-D279 PolarHBondContact O-N 3.36Å
276P97.2Very high96.3Very high102 Ų10262.3 Ų62.366%0.66233%0.329SS*.Hα-helixtrans-60.7-40.9-179.2-25.435.6000113.7S278 D279 K280P276-S278 VanDerWaalsContact C-N 3.33Å; P276-D279 PolarHBondContact O-N 2.82Å; P276-K280 WeakPolarHBondContact O-CB 3.32Å; P276-K280 PolarHBondContact O-N 2.97Å
277V96.1Very high96.4Very high51 Ų5162.3 Ų62.331%0.30933%0.329SS..Hα-helixtrans-65.1-42.1177178.20000110.3K273 G274 K275 L281 F320K273-V277 HydrophobicContact CB-CB 4.2Å; K273-V277 HydrophobicContact CB-CG1 4.12Å; K273-V277 HydrophobicContact CB-CG2 4.49Å; K273-V277 WeakPolarHBondContact O-CG2 3.41Å; G274-V277 PolarHBondContact O-N 3.18Å; K275-V277 PolarHBondContact O-N 3.28Å; V277-L281 PolarHBondContact O-N 3.45Å; V277-L281 VanDerWaalsContact O-N 3.08Å; V277-F320 HydrophobicContact CG1-CB 4.43Å; V277-F320 HydrophobicContact CG1-CD1 4.11Å; V277-F320 HydrophobicContact CG1-CD2 4.11Å; V277-F320 HydrophobicContact CG1-CE1 4.48Å; V277-F320 HydrophobicContact CG1-CE2 4.47Å; V277-F320 HydrophobicContact CG1-CG 3.93Å
278S96.1Very high96.6Very high0 Ų056.9 Ų56.90%030%0.301CS..Hα-helixtrans-61.5-48.4176.5-179.60000112.3R266 G274 K275 P276 L281 F282R266-S278 WeakPolarHBondContact CG-OG 3.14Å; G274-S278 PolarHBondContact O-N 3.41Å; K275-S278 WeakPolarHBondContact O-CB 3.35Å; K275-S278 PolarHBondContact O-N 3.38Å; K275-S278 VanDerWaalsContact O-N 3.16Å; P276-S278 VanDerWaalsContact C-N 3.33Å; S278-L281 PolarHBondContact O-N 2.94Å; S278-F282 VanDerWaalsContact O-CD2 3.26Å; S278-F282 WeakPolarHBondContact O-CD2 3.33Å; S278-F282 PolarHBondContact O-N 2.96Å
279D96.4Very high96.7Very high37 Ų3753.7 Ų53.720%0.19829%0.288CS..Hα-helixtrans-64.9-45.6-177.3-67.6-18.2000110.6R266 K275 P276 L281 F282 D283R266-D279 IonicContact CZ-OD1 3.92Å; R266-D279 IonicContact NE-OD1 3.27Å; R266-D279 IonicContact NH2-OD1 3.68Å; R266-D279 PolarHBondContact NH2-OD1 3.22Å; K275-D279 WeakPolarHBondContact CG-OD2 3.4Å; K275-D279 IonicContact NZ-OD2 3.09Å; K275-D279 PolarHBondContact NZ-OD2 3.42Å; K275-D279 PolarHBondContact O-N 3.36Å; P276-D279 PolarHBondContact O-N 2.82Å; D279-L281 VanDerWaalsContact C-N 3.32Å; D279-L281 PolarHBondContact O-N 3.27Å; D279-F282 PolarHBondContact O-N 3.46Å; D279-F282 VanDerWaalsContact O-N 3.1Å; D279-D283 VanDerWaalsContact O-CG 3.29Å; D279-D283 PolarHBondContact O-N 2.94Å
280K97.2Very high96.8Very high130 Ų13054.4 Ų54.457%0.56529%0.293SS*.Hα-helixtrans-54.2-45.2175.2-177.5-178.5172.9-173.10112.6P276 F282 D283 E284P276-K280 WeakPolarHBondContact O-CB 3.32Å; P276-K280 PolarHBondContact O-N 2.97Å; K280-F282 PolarHBondContact O-N 3.35Å; K280-D283 PolarHBondContact O-N 3.3Å; K280-E284 WeakPolarHBondContact CE-OE1 3.39Å; K280-E284 IonicContact NZ-OE1 3.62Å; K280-E284 WeakPolarHBondContact O-CG 3.46Å; K280-E284 PolarHBondContact O-N 2.97Å
281L97.4Very high96.8Very high2 Ų252 Ų521%0.0128%0.281CS..Hα-helixtrans-60.8-44.5178.6172.166.1000112F265 L269 V277 S278 D279 D283 E284 I285 I316 F320 P322F265-L281 HydrophobicContact CE1-CD2 3.98Å; F265-L281 HydrophobicContact CZ-CD2 4Å; L269-L281 HydrophobicContact CD2-CB 4.4Å; L269-L281 HydrophobicContact CD2-CD2 3.46Å; L269-L281 VanDerWaalsContact CD2-CD2 3.46Å; V277-L281 PolarHBondContact O-N 3.45Å; V277-L281 VanDerWaalsContact O-N 3.08Å; S278-L281 PolarHBondContact O-N 2.94Å; D279-L281 VanDerWaalsContact C-N 3.32Å; D279-L281 PolarHBondContact O-N 3.27Å; L281-D283 VanDerWaalsContact C-N 3.34Å; L281-E284 PolarHBondContact O-N 3.48Å; L281-I285 HydrophobicContact CD1-CD1 4.25Å; L281-I285 HydrophobicContact CG-CD1 4.09Å; L281-I285 VanDerWaalsContact O-CG1 3.32Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.11Å; L281-I316 HydrophobicContact CD1-CD1 4.29Å; L281-I316 HydrophobicContact CD1-CG1 4.11Å; L281-I316 HydrophobicContact CD1-CG2 3.97Å; L281-I316 HydrophobicContact CD2-CD1 3.86Å; L281-I316 HydrophobicContact CD2-CG2 4.44Å; L281-F320 WeakPolarHBondContact CD1-O 3.46Å; L281-P322 HydrophobicContact CD1-CB 4.14Å; L281-P322 HydrophobicContact CD1-CG 4.08Å
282F97Very high96.9Very high22 Ų2248.7 Ų48.710%0.09625%0.247CC..Hα-helixtrans-69.4-33.9179.1-80.8-78.6000111.8T262 F265 R266 S278 D279 K280 I285 H286T262-F282 HydrophobicContact CG2-CE1 3.55Å; T262-F282 HydrophobicContact CG2-CZ 3.67Å; F265-F282 HydrophobicContact CD1-CZ 4.18Å; F265-F282 HydrophobicContact CE1-CZ 4.45Å; R266-F282 HydrophobicContact CB-CE2 3.84Å; R266-F282 HydrophobicContact CB-CZ 4.1Å; R266-F282 HydrophobicContact CG-CD2 4.39Å; R266-F282 HydrophobicContact CG-CE2 3.73Å; R266-F282 HydrophobicContact CG-CZ 4.4Å; S278-F282 VanDerWaalsContact O-CD2 3.26Å; S278-F282 WeakPolarHBondContact O-CD2 3.33Å; S278-F282 PolarHBondContact O-N 2.96Å; D279-F282 PolarHBondContact O-N 3.46Å; D279-F282 VanDerWaalsContact O-N 3.1Å; K280-F282 PolarHBondContact O-N 3.35Å; F282-I285 HydrophobicContact CD1-CD1 4.31Å; F282-I285 WeakPolarHBondContact O-CB 3.44Å; F282-I285 PolarHBondContact O-N 2.98Å; F282-H286 WeakPolarHBondContact O-CB 3.31Å; F282-H286 PolarHBondContact O-N 2.93Å; F282-H286 PolarHBondContact O-ND1 3.38Å
283D97.1Very high97Very high104 Ų10445.2 Ų45.256%0.55623%0.226SC*.Hα-helixtrans-63.5-42.7172.5-66.3-23.5000111.5D279 K280 L281 I285 H286 W287D279-D283 VanDerWaalsContact O-CG 3.29Å; D279-D283 PolarHBondContact O-N 2.94Å; K280-D283 PolarHBondContact O-N 3.3Å; L281-D283 VanDerWaalsContact C-N 3.34Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 2.89Å; D283-H286 WeakPolarHBondContact O-CB 3.41Å; D283-H286 PolarHBondContact O-N 2.92Å; D283-W287 WeakPolarHBondContact O-CB 3.48Å; D283-W287 PolarHBondContact O-N 3.29Å
284E97.2Very high97.1Very high61 Ų6142.5 Ų42.529%0.28521%0.214SC..Hα-helixtrans-64.8-37.5174-72.5-178.7-173.200111.8K280 L281 W287 I288 P322K280-E284 WeakPolarHBondContact CE-OE1 3.39Å; K280-E284 IonicContact NZ-OE1 3.62Å; K280-E284 WeakPolarHBondContact O-CG 3.46Å; K280-E284 PolarHBondContact O-N 2.97Å; L281-E284 PolarHBondContact O-N 3.48Å; E284-W287 WeakPolarHBondContact O-CB 3.18Å; E284-W287 PolarHBondContact O-N 3.2Å; E284-I288 VanDerWaalsContact O-CG1 3.25Å; E284-I288 WeakPolarHBondContact O-CG1 3.4Å; E284-I288 PolarHBondContact O-N 2.99Å; E284-P322 HydrophobicContact CB-CG 3.58Å; E284-P322 WeakPolarHBondContact OE2-CD 3.14Å
285I97.9Very high97.1Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-62.9-45.4173.4-74.1166.3000111.4L197 L199 L281 F282 D283 W287 I288 I289 I314 P322L197-I285 HydrophobicContact CD2-CD1 3.8Å; L199-I285 HydrophobicContact CD1-CG2 3.4Å; L281-I285 HydrophobicContact CD1-CD1 4.25Å; L281-I285 HydrophobicContact CG-CD1 4.09Å; L281-I285 VanDerWaalsContact O-CG1 3.32Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.11Å; F282-I285 HydrophobicContact CD1-CD1 4.31Å; F282-I285 WeakPolarHBondContact O-CB 3.44Å; F282-I285 PolarHBondContact O-N 2.98Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 2.89Å; I285-W287 VanDerWaalsContact C-N 3.3Å; I285-W287 PolarHBondContact O-N 3.28Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 3.46Å; I285-I289 HydrophobicContact CG2-CD1 4.04Å; I285-I289 WeakPolarHBondContact O-CG1 3.48Å; I285-I289 PolarHBondContact O-N 3.06Å; I285-I289 VanDerWaalsContact O-N 3.08Å; I285-I314 HydrophobicContact CB-CD1 4.29Å; I285-I314 HydrophobicContact CG1-CD1 4.08Å; I285-I314 HydrophobicContact CG1-CG2 4.44Å; I285-I314 HydrophobicContact CG2-CD1 3.62Å; I285-P322 HydrophobicContact CG1-CB 3.7Å; I285-P322 HydrophobicContact CG1-CG 3.98Å
286H97.8Very high97.1Very high56 Ų5635.7 Ų35.726%0.25918%0.177SC..Hα-helixtrans-59.8-42.5175.7-75166000111.6F282 D283 I288 I289 V290 L381F282-H286 WeakPolarHBondContact O-CB 3.31Å; F282-H286 PolarHBondContact O-N 2.93Å; F282-H286 PolarHBondContact O-ND1 3.38Å; D283-H286 WeakPolarHBondContact O-CB 3.41Å; D283-H286 PolarHBondContact O-N 2.92Å; H286-I288 VanDerWaalsContact C-N 3.35Å; H286-I288 PolarHBondContact O-N 3.38Å; H286-I289 PolarHBondContact O-N 3.29Å; H286-V290 WeakPolarHBondContact O-CG2 3.35Å; H286-V290 PolarHBondContact O-N 3Å; H286-L381 HydrophobicContact CB-CD1 3.71Å
287W97.6Very high97Very high99 Ų9931.3 Ų31.338%0.37515%0.15SC..Hα-helixtrans-57.6-46174.9-172.8-96.4000112.2L94 F105 D283 E284 I285 I289 V290 H291L94-W287 HydrophobicContact CD1-CH2 4.37Å; L94-W287 HydrophobicContact CD1-CZ2 4.31Å; L94-W287 HydrophobicContact CD2-CH2 3.75Å; L94-W287 HydrophobicContact CD2-CZ2 3.73Å; F105-W287 HydrophobicContact CB-CZ2 4.16Å; F105-W287 PolarHBondContact O-NE1 3.03Å; D283-W287 WeakPolarHBondContact O-CB 3.48Å; D283-W287 PolarHBondContact O-N 3.29Å; E284-W287 WeakPolarHBondContact O-CB 3.18Å; E284-W287 PolarHBondContact O-N 3.2Å; I285-W287 VanDerWaalsContact C-N 3.3Å; I285-W287 PolarHBondContact O-N 3.28Å; W287-I289 VanDerWaalsContact C-N 3.34Å; W287-I289 PolarHBondContact O-N 2.99Å; W287-V290 PolarHBondContact O-N 3.32Å; W287-H291 AromaticContact CD1-CD2 3.83Å; W287-H291 AromaticContact CD2-CD2 3.58Å; W287-H291 AromaticContact CD2-NE2 3.75Å; W287-H291 AromaticContact CE2-CD2 3.31Å; W287-H291 AromaticContact CE2-NE2 3.34Å; W287-H291 VanDerWaalsContact CE2-NE2 3.34Å; W287-H291 AromaticContact CE3-NE2 3.98Å; W287-H291 AromaticContact CG-CD2 3.91Å; W287-H291 AromaticContact CH2-NE2 3.48Å; W287-H291 WeakPolarHBondContact CH2-NE2 3.45Å; W287-H291 AromaticContact CZ2-CD2 3.71Å; W287-H291 AromaticContact CZ2-NE2 3.21Å; W287-H291 WeakPolarHBondContact CZ2-NE2 3.39Å; W287-H291 AromaticContact CZ3-NE2 3.86Å; W287-H291 AromaticContact NE1-CD2 3.48Å; W287-H291 PolarHBondContact NE1-CD2 3.24Å; W287-H291 AromaticContact NE1-NE2 3.95Å; W287-H291 PolarHBondContact O-CD2 3.37Å; W287-H291 PolarHBondContact O-N 2.82Å
288I98Very high96.9Very high4 Ų434.5 Ų34.52%0.02117%0.165CC..Hα-helixtrans-57.2-47.3175-70176.5000111.5F108 E284 I285 H286 S292 P322 L324F108-I288 HydrophobicContact CB-CD1 3.66Å; F108-I288 HydrophobicContact CB-CG1 3.46Å; F108-I288 VanDerWaalsContact CB-CG1 3.46Å; F108-I288 HydrophobicContact CD1-CG1 4.34Å; F108-I288 HydrophobicContact CD2-CG1 4.2Å; F108-I288 HydrophobicContact CD2-CG2 4.07Å; F108-I288 HydrophobicContact CG-CD1 4.45Å; F108-I288 HydrophobicContact CG-CG1 3.77Å; E284-I288 VanDerWaalsContact O-CG1 3.25Å; E284-I288 WeakPolarHBondContact O-CG1 3.4Å; E284-I288 PolarHBondContact O-N 2.99Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 3.46Å; H286-I288 VanDerWaalsContact C-N 3.35Å; H286-I288 PolarHBondContact O-N 3.38Å; I288-S292 WeakPolarHBondContact O-CB 3.46Å; I288-S292 PolarHBondContact O-N 3.37Å; I288-S292 PolarHBondContact O-OG 3.43Å; I288-P322 HydrophobicContact CD1-CB 3.79Å; I288-P322 HydrophobicContact CD1-CG 3.7Å; I288-P322 WeakPolarHBondContact CD1-O 3.14Å; I288-L324 HydrophobicContact CG2-CB 3.74Å; I288-L324 HydrophobicContact CG2-CD1 4.37Å; I288-L324 HydrophobicContact CG2-CD2 4.13Å; I288-L324 HydrophobicContact CG2-CG 4.31Å
289I98.2Very high96.8Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-60.7-51.7-178.1-68162.9000109.7L199 V201 I211 V213 I285 H286 W287 H291 S292 L293 Y312 L381L199-I289 HydrophobicContact CD1-CD1 4.46Å; V201-I289 HydrophobicContact CB-CG2 4.39Å; V201-I289 HydrophobicContact CG1-CG2 3.74Å; V201-I289 HydrophobicContact CG2-CD1 3.81Å; V201-I289 HydrophobicContact CG2-CG1 4.14Å; V201-I289 HydrophobicContact CG2-CG2 3.77Å; I211-I289 HydrophobicContact CG2-CG2 4.12Å; V213-I289 HydrophobicContact CG2-CD1 4.28Å; I285-I289 HydrophobicContact CG2-CD1 4.04Å; I285-I289 WeakPolarHBondContact O-CG1 3.48Å; I285-I289 PolarHBondContact O-N 3.06Å; I285-I289 VanDerWaalsContact O-N 3.08Å; H286-I289 PolarHBondContact O-N 3.29Å; W287-I289 VanDerWaalsContact C-N 3.34Å; W287-I289 PolarHBondContact O-N 2.99Å; I289-H291 PolarHBondContact O-N 2.91Å; I289-S292 PolarHBondContact O-N 3.22Å; I289-S292 PolarHBondContact O-OG 3.35Å; I289-L293 HydrophobicContact CG2-CD1 4Å; I289-L293 WeakPolarHBondContact O-CG 3.39Å; I289-L293 PolarHBondContact O-N 2.94Å; I289-L293 VanDerWaalsContact O-N 3.14Å; I289-Y312 HydrophobicContact CB-CE1 4.46Å; I289-Y312 HydrophobicContact CG1-CD1 3.94Å; I289-Y312 HydrophobicContact CG1-CE1 4.02Å; I289-Y312 HydrophobicContact CG1-CG 4.34Å; I289-L381 HydrophobicContact CB-CD2 3.96Å; I289-L381 HydrophobicContact CD1-CD2 4.47Å; I289-L381 HydrophobicContact CG2-CD2 3.67Å
290V97.6Very high96.7Very high15 Ų1535.2 Ų35.29%0.09117%0.171CC..Hα-helixtrans-60.6-49.2-178.6174.50000111.3I211 H286 W287 L293 K294 L381 Y382I211-V290 HydrophobicContact CD1-CG2 4.4Å; H286-V290 WeakPolarHBondContact O-CG2 3.35Å; H286-V290 PolarHBondContact O-N 3Å; W287-V290 PolarHBondContact O-N 3.32Å; V290-L293 PolarHBondContact O-N 3.01Å; V290-K294 HydrophobicContact CG1-CD 4.08Å; V290-K294 HydrophobicContact CG1-CG 4.41Å; V290-K294 WeakPolarHBondContact O-CG 3.46Å; V290-K294 PolarHBondContact O-N 3.11Å; V290-L381 HydrophobicContact CG2-CD2 3.89Å; V290-L381 HydrophobicContact CG2-CG 3.86Å; V290-Y382 HydrophobicContact CG1-CD2 4.37Å; V290-Y382 HydrophobicContact CG1-CG 4.19Å
291H97.2Very high96.4Very high7 Ų733.3 Ų33.33%0.03217%0.166CC..Hα-helixtrans-74.1-28.6-176.3-76.3-71.2000113.9Y83 L94 L106 F108 W287 I289 L293 A295Y83-H291 HydrophobicContact CE1-CB 4.26Å; Y83-H291 AromaticContact CE1-ND1 3.72Å; Y83-H291 AromaticContact CZ-ND1 3.78Å; Y83-H291 PolarHBondContact OH-ND1 3.02Å; L94-H291 VanDerWaalsContact CD1-CE1 3.49Å; L94-H291 WeakPolarHBondContact CD1-CE1 3.4Å; L106-H291 HydrophobicContact CD2-CB 4.12Å; F108-H291 HydrophobicContact CE1-CB 3.93Å; F108-H291 HydrophobicContact CZ-CB 3.93Å; W287-H291 AromaticContact CD1-CD2 3.83Å; W287-H291 AromaticContact CD2-CD2 3.58Å; W287-H291 AromaticContact CD2-NE2 3.75Å; W287-H291 AromaticContact CE2-CD2 3.31Å; W287-H291 AromaticContact CE2-NE2 3.34Å; W287-H291 VanDerWaalsContact CE2-NE2 3.34Å; W287-H291 AromaticContact CE3-NE2 3.98Å; W287-H291 AromaticContact CG-CD2 3.91Å; W287-H291 AromaticContact CH2-NE2 3.48Å; W287-H291 WeakPolarHBondContact CH2-NE2 3.45Å; W287-H291 AromaticContact CZ2-CD2 3.71Å; W287-H291 AromaticContact CZ2-NE2 3.21Å; W287-H291 WeakPolarHBondContact CZ2-NE2 3.39Å; W287-H291 AromaticContact CZ3-NE2 3.86Å; W287-H291 AromaticContact NE1-CD2 3.48Å; W287-H291 PolarHBondContact NE1-CD2 3.24Å; W287-H291 AromaticContact NE1-NE2 3.95Å; W287-H291 PolarHBondContact O-CD2 3.37Å; W287-H291 PolarHBondContact O-N 2.82Å; I289-H291 PolarHBondContact O-N 2.91Å; H291-L293 VanDerWaalsContact C-N 3.33Å; H291-A295 WeakPolarHBondContact O-CB 3.27Å; H291-A295 PolarHBondContact O-N 3.36Å
292S97.4Very high95.9Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-65.1-37.4170.869.90000112I288 I289 Y312I288-S292 WeakPolarHBondContact O-CB 3.46Å; I288-S292 PolarHBondContact O-N 3.37Å; I288-S292 PolarHBondContact O-OG 3.43Å; I289-S292 PolarHBondContact O-N 3.22Å; I289-S292 PolarHBondContact O-OG 3.35Å; S292-Y312 VanDerWaalsContact OG-CE1 3.32Å; S292-Y312 WeakPolarHBondContact OG-CE1 3.34Å; S292-Y312 PolarHBondContact OG-OH 3.19Å
293L97.6Very high95.6Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-76-41.2177.5-72.6166.4000111.9L70 V201 V203 F206 L209 I211 I289 V290 H291 A295 V296 A297 Y310 Y312L70-L293 HydrophobicContact CD2-CD2 3.59Å; V201-L293 HydrophobicContact CG1-CD1 4.09Å; V203-L293 HydrophobicContact CG2-CD1 3.7Å; V203-L293 HydrophobicContact CG2-CD2 3.86Å; V203-L293 HydrophobicContact CG2-CG 4.45Å; F206-L293 HydrophobicContact CE1-CD2 3.91Å; F206-L293 HydrophobicContact CZ-CD2 3.83Å; L209-L293 HydrophobicContact CD1-CB 4.38Å; L209-L293 HydrophobicContact CD2-CB 4.4Å; I211-L293 HydrophobicContact CB-CD1 4.4Å; I211-L293 HydrophobicContact CD1-CB 3.89Å; I211-L293 HydrophobicContact CD1-CD1 3.48Å; I211-L293 VanDerWaalsContact CD1-CD1 3.48Å; I211-L293 HydrophobicContact CD1-CG 4.31Å; I211-L293 HydrophobicContact CG1-CD1 3.77Å; I211-L293 HydrophobicContact CG2-CD1 3.73Å; I289-L293 HydrophobicContact CG2-CD1 4Å; I289-L293 WeakPolarHBondContact O-CG 3.39Å; I289-L293 PolarHBondContact O-N 2.94Å; I289-L293 VanDerWaalsContact O-N 3.14Å; V290-L293 PolarHBondContact O-N 3.01Å; H291-L293 VanDerWaalsContact C-N 3.33Å; L293-A295 PolarHBondContact O-N 2.86Å; L293-V296 WeakPolarHBondContact O-CG2 3.43Å; L293-V296 PolarHBondContact O-N 3.17Å; L293-V296 VanDerWaalsContact O-N 3.11Å; L293-A297 PolarHBondContact O-N 3.45Å; L293-Y310 HydrophobicContact CD2-CD2 4.49Å; L293-Y310 HydrophobicContact CD2-CE2 4.35Å; L293-Y312 WeakPolarHBondContact CG-OH 3.12Å
294K96.4Very high95.3Very high56 Ų5639.8 Ų39.824%0.24319%0.188CC..Hα-helixtrans-57.6-38172.1-75.5-175.8172.4-173.20112Y83 L209 V290 V296 A297 Y382Y83-K294 HydrophobicContact CE2-CB 4.22Å; L209-K294 HydrophobicContact CD2-CG 3.68Å; V290-K294 HydrophobicContact CG1-CD 4.08Å; V290-K294 HydrophobicContact CG1-CG 4.41Å; V290-K294 WeakPolarHBondContact O-CG 3.46Å; V290-K294 PolarHBondContact O-N 3.11Å; K294-V296 PolarHBondContact O-N 2.78Å; K294-A297 PolarHBondContact O-N 2.76Å; K294-Y382 VanDerWaalsContact CE-CZ 3.41Å; K294-Y382 WeakPolarHBondContact CE-OH 3.11Å; K294-Y382 PolarHBondContact NZ-OH 2.91Å; K294-Y382 VanDerWaalsContact NZ-OH 3.09Å
295A96.3Very high95.1Very high2 Ų238 Ų382%0.01718%0.18CC..Hα-helixtrans-62.2-25.2178.700000114.2I80 R82 Y83 H291 L293I80-A295 HydrophobicContact CG1-CB 4.06Å; R82-A295 PolarHBondContact NH2-O 3.46Å; Y83-A295 HydrophobicContact CD1-CB 3.8Å; Y83-A295 HydrophobicContact CD2-CB 4.46Å; Y83-A295 HydrophobicContact CG-CB 3.69Å; H291-A295 WeakPolarHBondContact O-CB 3.27Å; H291-A295 PolarHBondContact O-N 3.36Å; L293-A295 PolarHBondContact O-N 2.86Å
296V96.3Very high94.9Very high1 Ų138.1 Ų38.11%0.00618%0.181CC..Hα-helixtrans-104-15.1178.6-610000113.4L70 N79 F206 L293 K294 N298 V299 M300L70-V296 HydrophobicContact CB-CG1 4.24Å; L70-V296 HydrophobicContact CB-CG2 4.34Å; L70-V296 HydrophobicContact CD1-CG1 4.07Å; L70-V296 HydrophobicContact CD1-CG2 4.28Å; N79-V296 HydrophobicContact CB-CG1 3.84Å; F206-V296 HydrophobicContact CE1-CG2 3.78Å; F206-V296 HydrophobicContact CZ-CG2 4.28Å; L293-V296 WeakPolarHBondContact O-CG2 3.43Å; L293-V296 PolarHBondContact O-N 3.17Å; L293-V296 VanDerWaalsContact O-N 3.11Å; K294-V296 PolarHBondContact O-N 2.78Å; V296-N298 PolarHBondContact O-N 3.39Å; V296-N298 VanDerWaalsContact O-N 3.09Å; V296-V299 HydrophobicContact CB-CG2 4.27Å; V296-V299 WeakPolarHBondContact O-CG2 3.47Å; V296-V299 PolarHBondContact O-N 3.04Å; V296-M300 WeakPolarHBondContact O-CB 3.42Å; V296-M300 PolarHBondContact O-N 3.31Å
297A95.2Very high94.8Very high10 Ų1035.8 Ų35.88%0.08317%0.17CC..Hα-helixtrans-53.8-36.4-173.600000114.4F206 L293 K294F206-A297 HydrophobicContact CD1-CB 4.04Å; L293-A297 PolarHBondContact O-N 3.45Å; K294-A297 PolarHBondContact O-N 2.76Å
298N92.2Very high94.7Very high118 Ų11831 Ų3163%0.63115%0.152SC*.THydrogen-bonded Turntrans-74-27.7179.4-73.1-19.8000114.1V296V296-N298 PolarHBondContact O-N 3.39Å; V296-N298 VanDerWaalsContact O-N 3.09Å
299V94.8Very high94.7Very high48 Ų4831.7 Ų31.729%0.29116%0.156SC..THydrogen-bonded Turntrans-97.5-17.5179.9-65.70000112.9N66 E69 R82 V296 I301N66-V299 PolarHBondContact ND2-O 3.09Å; E69-V299 HydrophobicContact CB-CG2 4.38Å; E69-V299 HydrophobicContact CG-CG2 4.29Å; R82-V299 VanDerWaalsContact NH2-CG1 3.32Å; V296-V299 HydrophobicContact CB-CG2 4.27Å; V296-V299 WeakPolarHBondContact O-CG2 3.47Å; V296-V299 PolarHBondContact O-N 3.04Å; V299-I301 PolarHBondContact O-N 2.88Å
300M93.5Very high94.6Very high5 Ų531.7 Ų31.73%0.02516%0.156CC..SBendtrans-66.7129.1178.2-155.873.3-126.800110.5F64 N66 H67 F206 V296 N302F64-M300 HydrophobicContact CB-CE 3.33Å; F64-M300 HydrophobicContact CG-CE 4.2Å; N66-M300 HydrophobicContact CB-CE 4.37Å; N66-M300 WeakPolarHBondContact O-CE 3.5Å; N66-M300 WeakPolarHBondContact OD1-CE 3.27Å; H67-M300 VanDerWaalsContact CA-CE 3.46Å; H67-M300 HydrophobicContact CB-CE 4.37Å; F206-M300 HydrophobicContact CB-CB 4.27Å; F206-M300 HydrophobicContact CB-CG 4.34Å; F206-M300 HydrophobicContact CD1-CB 4.05Å; F206-M300 HydrophobicContact CD1-CG 4.04Å; F206-M300 HydrophobicContact CD2-CB 4.19Å; F206-M300 HydrophobicContact CD2-CG 3.43Å; F206-M300 VanDerWaalsContact CD2-CG 3.43Å; F206-M300 HydrophobicContact CE1-CB 4.4Å; F206-M300 HydrophobicContact CE1-CG 4.14Å; F206-M300 HydrophobicContact CE2-CG 3.52Å; F206-M300 HydrophobicContact CE2-SD 4.03Å; F206-M300 HydrophobicContact CG-CB 3.91Å; F206-M300 HydrophobicContact CG-CG 3.67Å; F206-M300 HydrophobicContact CZ-CG 3.87Å; F206-M300 HydrophobicContact CZ-SD 4.07Å; V296-M300 WeakPolarHBondContact O-CB 3.42Å; V296-M300 PolarHBondContact O-N 3.31Å; M300-N302 PolarHBondContact O-N 2.95Å; M300-N302 VanDerWaalsContact O-N 3.1Å
301I92.1Very high94.5Very high90 Ų9031 Ų3146%0.46215%0.152SC..  trans-70.8107.7171.7-64.2167.6000106.5P65 N66 V299P65-I301 HydrophobicContact CB-CB 4.48Å; P65-I301 HydrophobicContact CB-CD1 4.21Å; P65-I301 HydrophobicContact CG-CB 4.33Å; P65-I301 HydrophobicContact CG-CG2 4.03Å; N66-I301 HydrophobicContact CB-CD1 4.07Å; N66-I301 HydrophobicContact CB-CG1 4.49Å; N66-I301 VanDerWaalsContact OD1-CB 3.29Å; N66-I301 WeakPolarHBondContact OD1-CB 3.29Å; N66-I301 WeakPolarHBondContact OD1-CG1 3.13Å; N66-I301 PolarHBondContact OD1-N 3.31Å; V299-I301 PolarHBondContact O-N 2.88Å
302N86.5Confident94.5Very high49 Ų4930.6 Ų30.626%0.26215%0.15SC..  trans-85115.8178.5-171.869.9000109.5F206 K207 M300F206-N302 PolarHBondContact N-OD1 3.14Å; K207-N302 HydrophobicContact CB-CB 4.17Å; K207-N302 HydrophobicContact CD-CB 4.23Å; K207-N302 HydrophobicContact CG-CB 4.17Å; K207-N302 PolarHBondContact N-OD1 2.75Å; K207-N302 PolarHBondContact O-ND2 3.38Å; M300-N302 PolarHBondContact O-N 2.95Å; M300-N302 VanDerWaalsContact O-N 3.1Å
303D90.2Very high94.5Very high40 Ų4031 Ų3121%0.21415%0.152CC..  trans-128.4131.3173.4-170.1-52.6000107.9F47 H305 C306F47-D303 HydrophobicContact CE1-CB 4.45Å; D303-H305 PolarHBondContact O-N 3.1Å; D303-H305 WeakPolarHBondContact OD1-CB 3.42Å; D303-H305 IonicContact OD1-CE1 3.91Å; D303-H305 IonicContact OD1-CG 3.46Å; D303-H305 PolarHBondContact OD1-N 3.44Å; D303-H305 IonicContact OD1-ND1 2.64Å; D303-H305 PolarHBondContact OD1-ND1 3.29Å; D303-H305 IonicContact OD2-ND1 2.84Å; D303-C306 HydrophobicContact CB-CB 4.49Å; D303-C306 WeakPolarHBondContact O-CB 3.08Å; D303-C306 PolarHBondContact O-N 2.98Å; D303-C306 VanDerWaalsContact O-N 3.11Å
304R90.4Very high94.5Very high174 Ų17431 Ų3166%0.65715%0.152SC*.THydrogen-bonded Turntrans-70.7-17.9-174.1-53.8-177-162.2-170.53.1112.9V364R304-V364 HydrophobicContact CB-CB 3.91Å; R304-V364 HydrophobicContact CB-CG1 4.46Å; R304-V364 HydrophobicContact CB-CG2 4.49Å
305H93.5Very high94.5Very high24 Ų2429.2 Ų29.211%0.11115%0.146CC..THydrogen-bonded Turntrans-78-13.4175.4-47.495.1000111.2L55 S56 Q59 I60 V61 D303 V364L55-H305 HydrophobicContact CB-CB 4.38Å; L55-H305 HydrophobicContact CD1-CB 3.59Å; S56-H305 PolarHBondContact O-CD2 2.73Å; S56-H305 VanDerWaalsContact O-CD2 3.27Å; S56-H305 PolarHBondContact O-NE2 3.32Å; Q59-H305 WeakPolarHBondContact O-CB 3.21Å; Q59-H305 PolarHBondContact O-CD2 3.45Å; I60-H305 CarbonylContact C-O 3.51Å; I60-H305 WeakPolarHBondContact CA-O 3.39Å; I60-H305 WeakPolarHBondContact CB-O 3.49Å; V61-H305 PolarHBondContact N-O 3.43Å; D303-H305 PolarHBondContact O-N 3.1Å; D303-H305 WeakPolarHBondContact OD1-CB 3.42Å; D303-H305 IonicContact OD1-CE1 3.91Å; D303-H305 IonicContact OD1-CG 3.46Å; D303-H305 PolarHBondContact OD1-N 3.44Å; D303-H305 IonicContact OD1-ND1 2.64Å; D303-H305 PolarHBondContact OD1-ND1 3.29Å; D303-H305 IonicContact OD2-ND1 2.84Å; H305-V364 HydrophobicContact CB-CG1 4.43Å; H305-V364 VanDerWaalsContact CD2-CG1 3.48Å; H305-V364 WeakPolarHBondContact CD2-CG1 3.37Å
306C94.9Very high94.5Very high2 Ų229.2 Ų29.21%0.01415%0.145CC..BIsolated β-bridgetrans-97.5141.5-172.3-61.10000113.2F47 V61 H63 F64 D303F47-C306 VanDerWaalsContact CZ-SG 3.51Å; V61-C306 HydrophobicContact CG2-CB 4.42Å; V61-C306 VanDerWaalsContact CG2-SG 3.51Å; V61-C306 WeakPolarHBondContact O-CA 3.48Å; H63-C306 PolarHBondContact O-SG 3.02Å; F64-C306 HydrophobicContact CD1-CB 3.54Å; F64-C306 HydrophobicContact CE1-CB 3.61Å; F64-C306 HydrophobicContact CG-CB 4.11Å; F64-C306 HydrophobicContact CZ-CB 4.25Å; D303-C306 HydrophobicContact CB-CB 4.49Å; D303-C306 WeakPolarHBondContact O-CB 3.08Å; D303-C306 PolarHBondContact O-N 2.98Å; D303-C306 VanDerWaalsContact O-N 3.11Å
307F95.4Very high94.5Very high7 Ų730 Ų303%0.03115%0.149CC..  trans-137.2161.516264.8-87000108.4I35 I60 V61 N62 H63 L202 V203 V351 V355I35-F307 HydrophobicContact CD1-CZ 4.49Å; I60-F307 HydrophobicContact CD1-CD1 4.44Å; I60-F307 HydrophobicContact CD1-CE1 3.97Å; I60-F307 HydrophobicContact CG1-CE1 4.39Å; V61-F307 WeakPolarHBondContact O-CD1 3.14Å; V61-F307 WeakPolarHBondContact O-CE1 3.39Å; V61-F307 PolarHBondContact O-N 3.35Å; N62-F307 CarbonylContact C-O 3.31Å; N62-F307 VanDerWaalsContact CA-O 3.25Å; N62-F307 WeakPolarHBondContact CA-O 3.23Å; N62-F307 HydrophobicContact CB-CD2 4.46Å; N62-F307 HydrophobicContact CB-CE1 4.26Å; N62-F307 HydrophobicContact CB-CE2 3.71Å; N62-F307 HydrophobicContact CB-CZ 3.59Å; N62-F307 VanDerWaalsContact O-O 3.06Å; H63-F307 PolarHBondContact N-O 2.88Å; L202-F307 HydrophobicContact CD1-CB 4.47Å; L202-F307 HydrophobicContact CD1-CD2 3.95Å; V203-F307 CarbonylContact O-C 3.52Å; V203-F307 WeakPolarHBondContact O-CA 3.25Å; F307-V351 HydrophobicContact CD2-CG1 4.15Å; F307-V351 HydrophobicContact CE2-CG1 3.72Å; F307-V355 HydrophobicContact CB-CG1 3.86Å; F307-V355 HydrophobicContact CD1-CB 4.09Å; F307-V355 HydrophobicContact CD1-CG1 3.78Å; F307-V355 HydrophobicContact CD1-CG2 4.36Å; F307-V355 HydrophobicContact CD2-CG1 3.72Å; F307-V355 HydrophobicContact CE1-CB 4.21Å; F307-V355 HydrophobicContact CE1-CG1 4.22Å; F307-V355 HydrophobicContact CE1-CG2 3.98Å; F307-V355 HydrophobicContact CE2-CG1 4.16Å; F307-V355 HydrophobicContact CE2-CG2 4.32Å; F307-V355 HydrophobicContact CG-CB 4.32Å; F307-V355 HydrophobicContact CG-CG1 3.5Å; F307-V355 HydrophobicContact CZ-CG1 4.39Å; F307-V355 HydrophobicContact CZ-CG2 3.95Å
308E95.8Very high94.5Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-149.2133.8176.4-166.7153.8-169.200112.8H63 F64 H67 L202 V203 Y310 A329H63-E308 IonicContact CE1-OE1 3.85Å; H63-E308 PolarHBondContact CE1-OE1 2.95Å; H63-E308 IonicContact CG-OE1 2.87Å; H63-E308 IonicContact ND1-OE1 3.82Å; H63-E308 PolarHBondContact ND1-OE1 3.26Å; F64-E308 HydrophobicContact CD2-CB 3.61Å; F64-E308 HydrophobicContact CE2-CB 3.8Å; F64-E308 PolarHBondContact N-OE2 3.04Å; H67-E308 WeakPolarHBondContact CB-OE2 3.39Å; H67-E308 IonicContact CG-OE1 3.82Å; H67-E308 IonicContact CG-OE2 2.64Å; L202-E308 WeakPolarHBondContact CA-O 3.38Å; V203-E308 PolarHBondContact N-O 2.84Å; V203-E308 PolarHBondContact O-N 2.82Å; E308-Y310 HydrophobicContact CB-CE1 4.28Å; E308-Y310 HydrophobicContact CB-CE2 3.98Å; E308-Y310 HydrophobicContact CG-CD1 4.1Å; E308-Y310 HydrophobicContact CG-CE1 3.57Å; E308-Y310 HydrophobicContact CG-CE2 4.13Å; E308-Y310 PolarHBondContact OE2-OH 2.83Å; E308-A329 WeakPolarHBondContact OE1-CB 3.39Å
309C96.3Very high94.6Very high17 Ų1733.4 Ų33.412%0.11517%0.166CC..EExtended strand (participates in β ladder)trans-96.8111.2171.2-173.80000109.1V201 L202 P331 V351V201-C309 CarbonylContact O-C 3.44Å; V201-C309 WeakPolarHBondContact O-CA 3.35Å; L202-C309 HydrophobicContact CD1-CB 4.49Å; C309-P331 WeakPolarHBondContact O-CD 3.19Å; C309-V351 HydrophobicContact CB-CG2 4.46Å
310Y96.9Very high94.7Very high0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-92.9142.5177-63.6-66000111.5H67 L70 T71 Y200 V201 V203 F206 L293 E308 V327 N328H67-Y310 HydrophobicContact CB-CE1 4.49Å; L70-Y310 HydrophobicContact CD2-CD1 4.37Å; L70-Y310 HydrophobicContact CD2-CD2 4.31Å; L70-Y310 HydrophobicContact CD2-CE1 4.29Å; L70-Y310 HydrophobicContact CD2-CE2 4.19Å; L70-Y310 HydrophobicContact CD2-CG 4.4Å; T71-Y310 HydrophobicContact CG2-CD1 4.08Å; T71-Y310 HydrophobicContact CG2-CE1 4.01Å; Y200-Y310 WeakPolarHBondContact CA-O 3.36Å; V201-Y310 PolarHBondContact N-O 2.95Å; V201-Y310 PolarHBondContact O-N 2.8Å; V203-Y310 HydrophobicContact CB-CE2 4.11Å; V203-Y310 HydrophobicContact CG2-CD2 3.89Å; V203-Y310 HydrophobicContact CG2-CE2 3.83Å; F206-Y310 HydrophobicContact CZ-CE2 4.47Å; L293-Y310 HydrophobicContact CD2-CD2 4.49Å; L293-Y310 HydrophobicContact CD2-CE2 4.35Å; E308-Y310 HydrophobicContact CB-CE1 4.28Å; E308-Y310 HydrophobicContact CB-CE2 3.98Å; E308-Y310 HydrophobicContact CG-CD1 4.1Å; E308-Y310 HydrophobicContact CG-CE1 3.57Å; E308-Y310 HydrophobicContact CG-CE2 4.13Å; E308-Y310 PolarHBondContact OE2-OH 2.83Å; Y310-V327 HydrophobicContact CD1-CG1 3.96Å; Y310-V327 HydrophobicContact CG-CG1 4.02Å; Y310-N328 WeakPolarHBondContact CA-O 3.44Å
311G96.2Very high94.8Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-98.5111.2166.100000110.6L199 V327 N328L199-G311 CarbonylContact O-C 3.59Å; L199-G311 WeakPolarHBondContact O-CA 3.41Å; G311-V327 WeakPolarHBondContact O-CA 3.18Å; G311-N328 PolarHBondContact N-O 3.01Å; G311-N328 PolarHBondContact O-N 2.78Å
312Y97.3Very high95.1Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-87.3132.1175.9-86.3-108.6000110.7R198 L199 V201 I289 S292 L293 L324 V327R198-Y312 WeakPolarHBondContact CA-O 3.38Å; L199-Y312 PolarHBondContact N-O 3.48Å; L199-Y312 PolarHBondContact O-N 3.04Å; V201-Y312 HydrophobicContact CB-CD2 3.93Å; V201-Y312 HydrophobicContact CB-CE2 3.89Å; V201-Y312 HydrophobicContact CG1-CE2 4.37Å; V201-Y312 HydrophobicContact CG2-CD2 3.55Å; V201-Y312 HydrophobicContact CG2-CE2 3.84Å; V201-Y312 HydrophobicContact CG2-CG 4.25Å; I289-Y312 HydrophobicContact CB-CE1 4.46Å; I289-Y312 HydrophobicContact CG1-CD1 3.94Å; I289-Y312 HydrophobicContact CG1-CE1 4.02Å; I289-Y312 HydrophobicContact CG1-CG 4.34Å; S292-Y312 VanDerWaalsContact OG-CE1 3.32Å; S292-Y312 WeakPolarHBondContact OG-CE1 3.34Å; S292-Y312 PolarHBondContact OG-OH 3.19Å; L293-Y312 WeakPolarHBondContact CG-OH 3.12Å; Y312-L324 HydrophobicContact CD1-CD1 3.59Å; Y312-L324 HydrophobicContact CE1-CD1 3.98Å; Y312-L324 HydrophobicContact CE1-CD2 4.48Å; Y312-V327 HydrophobicContact CD1-CG2 3.9Å; Y312-V327 HydrophobicContact CD2-CG1 4.07Å; Y312-V327 HydrophobicContact CD2-CG2 4.45Å; Y312-V327 HydrophobicContact CE1-CG2 3.63Å; Y312-V327 HydrophobicContact CE2-CG1 3.78Å; Y312-V327 HydrophobicContact CE2-CG2 4.21Å; Y312-V327 HydrophobicContact CG-CG2 4.29Å
313D95.9Very high95.6Very high8 Ų830.8 Ų30.84%0.04314%0.144CC..EExtended strand (participates in β ladder)trans-111.6112.3175.7-66.424.3000108.6L197 R198 R220 V325 E326 N328L197-D313 WeakPolarHBondContact O-CA 3.47Å; R198-D313 IonicContact CZ-OD1 3.33Å; R198-D313 IonicContact CZ-OD2 3.7Å; R198-D313 IonicContact NE-OD1 3.42Å; R198-D313 PolarHBondContact NE-OD1 3.17Å; R198-D313 IonicContact NE-OD2 2.84Å; R198-D313 IonicContact NH2-OD1 2.66Å; R198-D313 PolarHBondContact NH2-OD1 2.9Å; R198-D313 IonicContact NH2-OD2 2.61Å; R198-D313 PolarHBondContact NH2-OD2 2.82Å; R220-D313 IonicContact CZ-OD2 3.96Å; R220-D313 IonicContact NH1-OD2 3.11Å; R220-D313 IonicContact NH2-OD1 2.74Å; R220-D313 IonicContact NH2-OD2 3.49Å; R220-D313 PolarHBondContact NH2-OD2 3.2Å; D313-V325 WeakPolarHBondContact O-CB 3.28Å; D313-V325 PolarHBondContact O-N 3.12Å; D313-E326 HydrophobicContact CB-CG 3.52Å; D313-E326 VanDerWaalsContact CG-CG 3.47Å; D313-E326 PolarHBondContact N-O 3.38Å; D313-E326 PolarHBondContact O-N 3.29Å; D313-E326 WeakPolarHBondContact OD2-CG 3.48Å; D313-N328 PolarHBondContact OD1-ND2 3.08Å
314I97.4Very high95.9Very high0 Ų028.9 Ų28.90%013%0.134CC..EExtended strand (participates in β ladder)trans-118135-177.6-62.5178000109.1L197 L199 I285 I316 P322 W323L197-I314 PolarHBondContact N-O 2.62Å; L197-I314 PolarHBondContact O-N 2.91Å; L199-I314 HydrophobicContact CD1-CD1 4.27Å; I285-I314 HydrophobicContact CB-CD1 4.29Å; I285-I314 HydrophobicContact CG1-CD1 4.08Å; I285-I314 HydrophobicContact CG1-CG2 4.44Å; I285-I314 HydrophobicContact CG2-CD1 3.62Å; I314-I316 HydrophobicContact CG2-CG1 4.47Å; I314-P322 HydrophobicContact CG2-CB 3.66Å; I314-W323 WeakPolarHBondContact CA-O 3.48Å
315I96.8Very high96.1Very high19 Ų1922 Ų2210%0.09711%0.112CC..EExtended strand (participates in β ladder)trans-107.5137.8167.5-71.3175.6000107.8I184 P187 D196 P322 W323 V325I184-I315 HydrophobicContact CB-CG2 4.45Å; I184-I315 HydrophobicContact CD1-CB 3.86Å; I184-I315 HydrophobicContact CD1-CG2 3.66Å; I184-I315 HydrophobicContact CG2-CG2 4.28Å; P187-I315 HydrophobicContact CB-CG2 4.4Å; D196-I315 HydrophobicContact CB-CG1 4.06Å; I315-P322 CarbonylContact O-C 3.55Å; I315-W323 PolarHBondContact N-O 3.16Å; I315-W323 WeakPolarHBondContact O-CB 3.49Å; I315-W323 PolarHBondContact O-N 3.44Å; I315-V325 HydrophobicContact CB-CG2 3.97Å; I315-V325 HydrophobicContact CD1-CG2 3.75Å; I315-V325 HydrophobicContact CG1-CG2 3.7Å
316I97.4Very high96Very high2 Ų221.7 Ų21.71%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-105.7134.1177.6-58156.8000107.2L188 F195 F265 L281 I314 K321L188-I316 HydrophobicContact CB-CB 4.3Å; L188-I316 HydrophobicContact CB-CG2 4.16Å; L188-I316 HydrophobicContact CD2-CB 4.46Å; L188-I316 HydrophobicContact CD2-CG2 3.96Å; L188-I316 PolarHBondContact N-O 3.46Å; F195-I316 HydrophobicContact CE2-CD1 4.22Å; F195-I316 HydrophobicContact CZ-CD1 4.29Å; F265-I316 HydrophobicContact CE1-CD1 3.75Å; F265-I316 HydrophobicContact CZ-CD1 3.6Å; L281-I316 HydrophobicContact CD1-CD1 4.29Å; L281-I316 HydrophobicContact CD1-CG1 4.11Å; L281-I316 HydrophobicContact CD1-CG2 3.97Å; L281-I316 HydrophobicContact CD2-CD1 3.86Å; L281-I316 HydrophobicContact CD2-CG2 4.44Å; I314-I316 HydrophobicContact CG2-CG1 4.47Å; I316-K321 WeakPolarHBondContact CA-O 3.27Å
317D96.1Very high96Very high17 Ų1721.7 Ų21.79%0.09111%0.11CC..BIsolated β-bridgetrans-88173.5174.169.325.3000112.9I184 N186 N319 F320 K321 W323I184-D317 HydrophobicContact CG2-CB 4.12Å; N186-D317 CarbonylContact O-C 3.57Å; N186-D317 VanDerWaalsContact O-CA 3.31Å; N186-D317 WeakPolarHBondContact O-CA 3.42Å; N186-D317 WeakPolarHBondContact O-CB 3.29Å; D317-N319 PolarHBondContact O-N 3.19Å; D317-N319 WeakPolarHBondContact OD1-CA 3.2Å; D317-N319 WeakPolarHBondContact OD1-CB 3.35Å; D317-N319 PolarHBondContact OD1-N 3.27Å; D317-F320 PolarHBondContact O-N 3.3Å; D317-F320 PolarHBondContact OD1-N 3.09Å; D317-K321 PolarHBondContact N-O 2.88Å; D317-K321 WeakPolarHBondContact OD1-CB 3.41Å; D317-K321 PolarHBondContact OD1-N 2.88Å; D317-K321 WeakPolarHBondContact OD2-CB 3.49Å; D317-W323 PolarHBondContact OD2-NE1 2.81Å
318D94.7Very high95.9Very high73 Ų7322.8 Ų22.839%0.3912%0.116SC..THydrogen-bonded Turntrans-62.9-18.418063.7-16.1000114.5N186 F320N186-D318 HydrophobicContact CB-CB 4.29Å; N186-D318 WeakPolarHBondContact CB-OD2 3.41Å; N186-D318 PolarHBondContact O-N 2.94Å; D318-F320 VanDerWaalsContact C-N 3.29Å
319N95.1Very high95.5Very high127 Ų12723.7 Ų23.768%0.67912%0.124SC*.THydrogen-bonded Turntrans-90.69.1173.4-62-62.6000112.9D317 K321D317-N319 PolarHBondContact O-N 3.19Å; D317-N319 WeakPolarHBondContact OD1-CA 3.2Å; D317-N319 WeakPolarHBondContact OD1-CB 3.35Å; D317-N319 PolarHBondContact OD1-N 3.27Å; N319-K321 PolarHBondContact O-N 3.23Å
320F95.6Very high94.8Very high38 Ų3825.3 Ų25.317%0.16714%0.135CC..SBendtrans62.526.1-176.1-56.8-83.7000114L188 L269 K273 V277 L281 D317 D318L188-F320 HydrophobicContact CD1-CE1 3.92Å; L188-F320 HydrophobicContact CD1-CZ 4.17Å; L188-F320 HydrophobicContact CD2-CD1 4.12Å; L188-F320 HydrophobicContact CD2-CE1 3.86Å; L269-F320 HydrophobicContact CD1-CD1 3.85Å; L269-F320 HydrophobicContact CD1-CE1 3.42Å; L269-F320 VanDerWaalsContact CD1-CE1 3.42Å; L269-F320 HydrophobicContact CD1-CZ 4.4Å; K273-F320 HydrophobicContact CB-CZ 4.46Å; K273-F320 HydrophobicContact CD-CE2 4.15Å; K273-F320 HydrophobicContact CD-CZ 3.67Å; K273-F320 HydrophobicContact CG-CE1 4.04Å; K273-F320 HydrophobicContact CG-CE2 4.36Å; K273-F320 HydrophobicContact CG-CZ 3.57Å; V277-F320 HydrophobicContact CG1-CB 4.43Å; V277-F320 HydrophobicContact CG1-CD1 4.11Å; V277-F320 HydrophobicContact CG1-CD2 4.11Å; V277-F320 HydrophobicContact CG1-CE1 4.48Å; V277-F320 HydrophobicContact CG1-CE2 4.47Å; V277-F320 HydrophobicContact CG1-CG 3.93Å; L281-F320 WeakPolarHBondContact CD1-O 3.46Å; D317-F320 PolarHBondContact O-N 3.3Å; D317-F320 PolarHBondContact OD1-N 3.09Å; D318-F320 VanDerWaalsContact C-N 3.29Å
321K96Very high94.2Very high61 Ų6125.7 Ų25.727%0.26514%0.138SC..  trans-89.5125.9171.6174.7178177.4176.30109.9D107 I316 D317 N319 W323D107-K321 WeakPolarHBondContact O-CE 3.33Å; D107-K321 PolarHBondContact O-NZ 2.75Å; D107-K321 IonicContact OD2-NZ 3.72Å; D107-K321 PolarHBondContact OD2-NZ 3.34Å; I316-K321 WeakPolarHBondContact CA-O 3.27Å; D317-K321 PolarHBondContact N-O 2.88Å; D317-K321 WeakPolarHBondContact OD1-CB 3.41Å; D317-K321 PolarHBondContact OD1-N 2.88Å; D317-K321 WeakPolarHBondContact OD2-CB 3.49Å; N319-K321 PolarHBondContact O-N 3.23Å; K321-W323 HydrophobicContact CD-CH2 4.23Å; K321-W323 HydrophobicContact CD-CZ2 3.6Å; K321-W323 VanDerWaalsContact CE-CH2 3.48Å; K321-W323 HydrophobicContact CG-CZ2 4.35Å
322P97.8Very high93.4Very high3 Ų329 Ų292%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-81.9141.817530.1-28.2000111.5L281 E284 I285 I288 I314 I315L281-P322 HydrophobicContact CD1-CB 4.14Å; L281-P322 HydrophobicContact CD1-CG 4.08Å; E284-P322 HydrophobicContact CB-CG 3.58Å; E284-P322 WeakPolarHBondContact OE2-CD 3.14Å; I285-P322 HydrophobicContact CG1-CB 3.7Å; I285-P322 HydrophobicContact CG1-CG 3.98Å; I288-P322 HydrophobicContact CD1-CB 3.79Å; I288-P322 HydrophobicContact CD1-CG 3.7Å; I288-P322 WeakPolarHBondContact CD1-O 3.14Å; I314-P322 HydrophobicContact CG2-CB 3.66Å; I315-P322 CarbonylContact O-C 3.55Å
323W97.6Very high92.7Very high34 Ų3430.1 Ų30.113%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-125.3123.5179-6492.9000110.2P110 I184 I314 I315 D317 K321 V325P110-W323 HydrophobicContact CG-CB 4.44Å; P110-W323 HydrophobicContact CG-CE3 4.2Å; I184-W323 HydrophobicContact CD1-CB 3.54Å; I184-W323 HydrophobicContact CD1-CD2 4.45Å; I184-W323 HydrophobicContact CD1-CG 3.61Å; I184-W323 HydrophobicContact CG1-CG 4.39Å; I314-W323 WeakPolarHBondContact CA-O 3.48Å; I315-W323 PolarHBondContact N-O 3.16Å; I315-W323 WeakPolarHBondContact O-CB 3.49Å; I315-W323 PolarHBondContact O-N 3.44Å; D317-W323 PolarHBondContact OD2-NE1 2.81Å; K321-W323 HydrophobicContact CD-CH2 4.23Å; K321-W323 HydrophobicContact CD-CZ2 3.6Å; K321-W323 VanDerWaalsContact CE-CH2 3.48Å; K321-W323 HydrophobicContact CG-CZ2 4.35Å; W323-V325 PolarHBondContact O-N 2.88Å
324L97.3Very high91.8Very high1 Ų132.5 Ų32.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-72120.5172.9-178.960.3000110.2M76 I80 F108 I109 P110 I288 Y312 V327M76-L324 HydrophobicContact SD-CD2 4.03Å; M76-L324 HydrophobicContact SD-CG 4.31Å; I80-L324 HydrophobicContact CD1-CD2 4.4Å; F108-L324 PolarHBondContact O-N 2.8Å; I109-L324 HydrophobicContact CG2-CB 3.99Å; I109-L324 HydrophobicContact CG2-CD2 4.27Å; I109-L324 HydrophobicContact CG2-CG 4.41Å; P110-L324 WeakPolarHBondContact CD-O 3.48Å; I288-L324 HydrophobicContact CG2-CB 3.74Å; I288-L324 HydrophobicContact CG2-CD1 4.37Å; I288-L324 HydrophobicContact CG2-CD2 4.13Å; I288-L324 HydrophobicContact CG2-CG 4.31Å; Y312-L324 HydrophobicContact CD1-CD1 3.59Å; Y312-L324 HydrophobicContact CE1-CD1 3.98Å; Y312-L324 HydrophobicContact CE1-CD2 4.48Å; L324-V327 HydrophobicContact CD1-CG2 3.94Å; L324-V327 HydrophobicContact CD2-CG2 4.37Å
325V93.2Very high90.7Very high29 Ų2934.6 Ų34.618%0.17620%0.201CC..EExtended strand (participates in β ladder)trans-103.4-48-176.7-177.30000112D313 I315 W323D313-V325 WeakPolarHBondContact O-CB 3.28Å; D313-V325 PolarHBondContact O-N 3.12Å; I315-V325 HydrophobicContact CB-CG2 3.97Å; I315-V325 HydrophobicContact CD1-CG2 3.75Å; I315-V325 HydrophobicContact CG1-CG2 3.7Å; W323-V325 PolarHBondContact O-N 2.88Å
326E92.3Very high89.7Confident18 Ų1836.1 Ų36.18%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-156.1157.2175.263175.1-15100111.3K73 D313 N328K73-E326 VanDerWaalsContact CE-OE2 3.28Å; K73-E326 WeakPolarHBondContact CE-OE2 3.31Å; K73-E326 IonicContact NZ-OE2 2.74Å; K73-E326 PolarHBondContact NZ-OE2 3.12Å; D313-E326 HydrophobicContact CB-CG 3.52Å; D313-E326 VanDerWaalsContact CG-CG 3.47Å; D313-E326 PolarHBondContact N-O 3.38Å; D313-E326 PolarHBondContact O-N 3.29Å; D313-E326 WeakPolarHBondContact OD2-CG 3.48Å; E326-N328 PolarHBondContact OE1-ND2 3.16Å; E326-N328 PolarHBondContact OE1-OD1 3.35Å
327V95.1Very high89Confident1 Ų136.4 Ų36.41%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-120.7130.5168.4-1750000107.6L70 T71 M76 Y310 G311 Y312 L324L70-V327 HydrophobicContact CD1-CG2 4.28Å; L70-V327 HydrophobicContact CD2-CG1 3.88Å; L70-V327 HydrophobicContact CG-CB 4.08Å; L70-V327 HydrophobicContact CG-CG1 3.96Å; L70-V327 HydrophobicContact CG-CG2 4.27Å; T71-V327 VanDerWaalsContact CA-O 3.25Å; T71-V327 WeakPolarHBondContact CA-O 3.24Å; T71-V327 VanDerWaalsContact CB-O 3.31Å; T71-V327 WeakPolarHBondContact CB-O 3.46Å; T71-V327 HydrophobicContact CG2-CG1 4.41Å; M76-V327 HydrophobicContact SD-CG2 4.1Å; Y310-V327 HydrophobicContact CD1-CG1 3.96Å; Y310-V327 HydrophobicContact CG-CG1 4.02Å; G311-V327 WeakPolarHBondContact O-CA 3.18Å; Y312-V327 HydrophobicContact CD1-CG2 3.9Å; Y312-V327 HydrophobicContact CD2-CG1 4.07Å; Y312-V327 HydrophobicContact CD2-CG2 4.45Å; Y312-V327 HydrophobicContact CE1-CG2 3.63Å; Y312-V327 HydrophobicContact CE2-CG1 3.78Å; Y312-V327 HydrophobicContact CE2-CG2 4.21Å; Y312-V327 HydrophobicContact CG-CG2 4.29Å; L324-V327 HydrophobicContact CD1-CG2 3.94Å; L324-V327 HydrophobicContact CD2-CG2 4.37Å
328N92.2Very high88.4Confident30 Ų3038.2 Ų38.216%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-110.4122.9-177.4-70.5-64.9000110R198 Y310 G311 D313 E326R198-N328 PolarHBondContact NH2-ND2 2.77Å; Y310-N328 WeakPolarHBondContact CA-O 3.44Å; G311-N328 PolarHBondContact N-O 3.01Å; G311-N328 PolarHBondContact O-N 2.78Å; D313-N328 PolarHBondContact OD1-ND2 3.08Å; E326-N328 PolarHBondContact OE1-ND2 3.16Å; E326-N328 PolarHBondContact OE1-OD1 3.35Å
329A88.6Confident88Confident20 Ų2038 Ų3817%0.16523%0.234CC..EExtended strand (participates in β ladder)trans-71.6143.7163.700000109H67 T71 E308H67-A329 WeakPolarHBondContact CD2-CB 3.37Å; T71-A329 HydrophobicContact CG2-CB 3.72Å; T71-A329 VanDerWaalsContact CG2-N 3.31Å; E308-A329 WeakPolarHBondContact OE1-CB 3.39Å
330S82.5Confident87.6Confident51 Ų5132.1 Ų32.136%0.35720%0.203SC..SBendtrans47.762.5-178.5-94.90000112.1H63 S332H63-S330 PolarHBondContact CE1-OG 2.65Å; H63-S330 PolarHBondContact NE2-OG 3.25Å; S330-S332 PolarHBondContact O-N 3.01Å
331P84Confident87.2Confident7 Ų737 Ų375%0.04522%0.221CC..  trans-55.6137.3-178.225-34.4000110.1Y200 C309 L333Y200-P331 HydrophobicContact CD1-CB 4.32Å; Y200-P331 HydrophobicContact CD1-CG 3.77Å; Y200-P331 HydrophobicContact CE1-CB 3.78Å; Y200-P331 HydrophobicContact CE1-CG 3.6Å; C309-P331 WeakPolarHBondContact O-CD 3.19Å; P331-L333 PolarHBondContact O-N 2.99Å
332S79.6Confident87Confident69 Ų6938.6 Ų38.648%0.48323%0.231SC..  trans-48.1115.4-172.4175.80000112.3S330 S334 K344S330-S332 PolarHBondContact O-N 3.01Å; S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact OG-N 3.4Å; S332-K344 WeakPolarHBondContact O-CE 3.18Å; S332-K344 PolarHBondContact O-NZ 3.31Å
333L81.5Confident86.7Confident25 Ų2539.2 Ų39.213%0.13123%0.234CC..  trans-85.50.3177.2-67179000113K12 V14 I15 W37 P331 A335 K344 V348K12-L333 HydrophobicContact CG-CB 4.45Å; V14-L333 HydrophobicContact CG2-CB 3.8Å; V14-L333 HydrophobicContact CG2-CD1 4.2Å; V14-L333 HydrophobicContact CG2-CG 4.42Å; I15-L333 HydrophobicContact CD1-CD1 3.78Å; I15-L333 HydrophobicContact CG1-CD1 3.78Å; W37-L333 HydrophobicContact CZ2-CD1 4.29Å; P331-L333 PolarHBondContact O-N 2.99Å; L333-A335 PolarHBondContact O-N 3.43Å; L333-K344 HydrophobicContact CD2-CB 4.49Å; L333-K344 WeakPolarHBondContact O-CD 3.18Å; L333-V348 HydrophobicContact CD1-CG2 4.15Å; L333-V348 HydrophobicContact CD2-CG2 4.12Å
334S77.3Confident86.5Confident57 Ų5738 Ų3840%0.39923%0.23SC..  trans-68.3122.5175.5-580000111S332 K344S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact OG-N 3.4Å; S334-K344 PolarHBondContact O-NZ 3.28Å
335A74.6Confident86.4Confident44 Ų4441.6 Ų41.636%0.36424%0.244SC..  trans-85.3130.8177.400000111.3L333 D340 R341L333-A335 PolarHBondContact O-N 3.43Å; A335-D340 HydrophobicContact CB-CB 4Å; A335-R341 HydrophobicContact CB-CB 3.58Å; A335-R341 HydrophobicContact CB-CG 4.25Å
336T76.1Confident86.5Confident51 Ų5145 Ų4531%0.31326%0.256SS..SBendtrans-97.7-25.9171.941.60000112.7V243 K259 D340V243-T336 HydrophobicContact CG1-CG2 4.35Å; K259-T336 PolarHBondContact NZ-OG1 2.89Å; T336-D340 PolarHBondContact N-OD2 3.09Å; T336-D340 VanDerWaalsContact N-OD2 3.16Å; T336-D340 PolarHBondContact OG1-OD2 2.97Å
337T81.7Confident86.6Confident9 Ų944.2 Ų44.26%0.05525%0.253CS..SBendtrans-127.1165.9178.663.90000110.3I255 S339 D340 R341I255-T337 WeakPolarHBondContact O-CG2 3.44Å; T337-S339 VanDerWaalsContact C-N 3.28Å; T337-S339 PolarHBondContact O-N 2.83Å; T337-S339 PolarHBondContact OG1-OG 3.03Å; T337-D340 PolarHBondContact N-OD2 3.3Å; T337-D340 WeakPolarHBondContact O-CB 3.25Å; T337-D340 PolarHBondContact O-N 2.76Å; T337-D340 VanDerWaalsContact OG1-CG 3.26Å; T337-D340 PolarHBondContact OG1-N 3.16Å; T337-D340 VanDerWaalsContact OG1-N 3.07Å; T337-D340 PolarHBondContact OG1-OD2 2.98Å; T337-R341 PolarHBondContact O-N 2.89Å; T337-R341 VanDerWaalsContact O-N 3.11Å
338A84.6Confident86.6Confident54 Ų5444.3 Ų44.345%0.44625%0.253SS..Hα-helixtrans-60.8-39.517300000111.8R341 I342A338-R341 WeakPolarHBondContact O-CB 3.37Å; A338-R341 PolarHBondContact O-N 3.12Å; A338-I342 WeakPolarHBondContact O-CG1 3.46Å; A338-I342 PolarHBondContact O-N 2.86Å
339S85Confident86.8Confident68 Ų6844.9 Ų44.948%0.47626%0.256SS..Hα-helixtrans-61.7-42.3175.7520000112.4T337 R341 I342 L343T337-S339 VanDerWaalsContact C-N 3.28Å; T337-S339 PolarHBondContact O-N 2.83Å; T337-S339 PolarHBondContact OG1-OG 3.03Å; S339-R341 VanDerWaalsContact C-N 3.31Å; S339-R341 PolarHBondContact O-N 3.14Å; S339-I342 PolarHBondContact O-N 2.92Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 3.27Å
340D86.3Confident87.1Confident5 Ų544.6 Ų44.63%0.02725%0.252CS..Hα-helixtrans-60.4-42.1173.8-76-35.2000111.7K259 A335 T336 T337 L343 K344K259-D340 IonicContact NZ-OD1 3.63Å; K259-D340 PolarHBondContact NZ-OD1 2.91Å; K259-D340 IonicContact NZ-OD2 3.93Å; K259-D340 PolarHBondContact NZ-OD2 3.38Å; A335-D340 HydrophobicContact CB-CB 4Å; T336-D340 PolarHBondContact N-OD2 3.09Å; T336-D340 VanDerWaalsContact N-OD2 3.16Å; T336-D340 PolarHBondContact OG1-OD2 2.97Å; T337-D340 PolarHBondContact N-OD2 3.3Å; T337-D340 WeakPolarHBondContact O-CB 3.25Å; T337-D340 PolarHBondContact O-N 2.76Å; T337-D340 VanDerWaalsContact OG1-CG 3.26Å; T337-D340 PolarHBondContact OG1-N 3.16Å; T337-D340 VanDerWaalsContact OG1-N 3.07Å; T337-D340 PolarHBondContact OG1-OD2 2.98Å; D340-L343 PolarHBondContact O-N 3.23Å; D340-K344 WeakPolarHBondContact O-CB 3.46Å; D340-K344 WeakPolarHBondContact O-CD 3.26Å; D340-K344 WeakPolarHBondContact O-CG 3.44Å; D340-K344 PolarHBondContact O-N 3.21Å
341R88.2Confident87.7Confident141 Ų14142.2 Ų42.253%0.53224%0.235SC..Hα-helixtrans-63-45.9-178.7-172.8173.160.9-123.20.7110.7A335 T337 A338 S339 K344 Y345A335-R341 HydrophobicContact CB-CB 3.58Å; A335-R341 HydrophobicContact CB-CG 4.25Å; T337-R341 PolarHBondContact O-N 2.89Å; T337-R341 VanDerWaalsContact O-N 3.11Å; A338-R341 WeakPolarHBondContact O-CB 3.37Å; A338-R341 PolarHBondContact O-N 3.12Å; S339-R341 VanDerWaalsContact C-N 3.31Å; S339-R341 PolarHBondContact O-N 3.14Å; R341-K344 PolarHBondContact O-N 3.08Å; R341-Y345 VanDerWaalsContact O-CB 3.27Å; R341-Y345 WeakPolarHBondContact O-CB 3.32Å; R341-Y345 PolarHBondContact O-N 2.92Å
342I91.5Very high88.2Confident94 Ų9441.9 Ų41.948%0.48223%0.233SC..Hα-helixtrans-63.1-48.2177.6-65.3166.1000110.4A338 S339 K344 Y345 K346A338-I342 WeakPolarHBondContact O-CG1 3.46Å; A338-I342 PolarHBondContact O-N 2.86Å; S339-I342 PolarHBondContact O-N 2.92Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å; I342-Y345 PolarHBondContact O-N 2.88Å; I342-K346 HydrophobicContact CG2-CD 4.22Å; I342-K346 WeakPolarHBondContact O-CB 3.46Å; I342-K346 WeakPolarHBondContact O-CG 3.35Å; I342-K346 PolarHBondContact O-N 3.18Å
343L92.9Very high88.8Confident16 Ų1640.7 Ų40.78%0.08422%0.221CC..Hα-helixtrans-57.9-46.9179.3179.3150.3000111.4Y200 L216 F218 S339 D340 K346 L347Y200-L343 HydrophobicContact CD2-CD2 4.42Å; Y200-L343 HydrophobicContact CE2-CD2 3.68Å; L216-L343 HydrophobicContact CB-CD1 3.93Å; L216-L343 HydrophobicContact CB-CG 4.22Å; F218-L343 HydrophobicContact CD1-CD1 4.27Å; S339-L343 WeakPolarHBondContact O-CB 3.42Å; S339-L343 PolarHBondContact O-N 3.27Å; D340-L343 PolarHBondContact O-N 3.23Å; L343-K346 PolarHBondContact O-N 2.7Å; L343-L347 WeakPolarHBondContact O-CB 3.36Å; L343-L347 PolarHBondContact O-N 3.11Å
344K93Very high89.3Confident7 Ų739.6 Ų39.63%0.0322%0.215CC..Hα-helixtrans-72.9-36.2-176.3-69.1170.4-176.1-161.10112.6V14 S332 L333 S334 D340 R341 I342 L347 V348V14-K344 HydrophobicContact CG1-CB 4.44Å; S332-K344 WeakPolarHBondContact O-CE 3.18Å; S332-K344 PolarHBondContact O-NZ 3.31Å; L333-K344 HydrophobicContact CD2-CB 4.49Å; L333-K344 WeakPolarHBondContact O-CD 3.18Å; S334-K344 PolarHBondContact O-NZ 3.28Å; D340-K344 WeakPolarHBondContact O-CB 3.46Å; D340-K344 WeakPolarHBondContact O-CD 3.26Å; D340-K344 WeakPolarHBondContact O-CG 3.44Å; D340-K344 PolarHBondContact O-N 3.21Å; R341-K344 PolarHBondContact O-N 3.08Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 2.73Å; K344-L347 PolarHBondContact O-N 2.72Å; K344-V348 WeakPolarHBondContact O-CG2 3.22Å; K344-V348 PolarHBondContact O-N 2.66Å
345Y94.1Very high90Very high77 Ų7737 Ų3730%0.30220%0.198SC..Hα-helixtrans-61.7-47.1173-175.8-88.3000110.9N17 N18 R341 I342 V348 N349N17-Y345 HydrophobicContact CB-CE2 3.86Å; N18-Y345 WeakPolarHBondContact ND2-CD2 3.47Å; N18-Y345 PolarHBondContact ND2-O 3.04Å; R341-Y345 VanDerWaalsContact O-CB 3.27Å; R341-Y345 WeakPolarHBondContact O-CB 3.32Å; R341-Y345 PolarHBondContact O-N 2.92Å; I342-Y345 PolarHBondContact O-N 2.88Å; Y345-V348 PolarHBondContact O-N 3.15Å; Y345-N349 WeakPolarHBondContact O-CB 3.5Å; Y345-N349 PolarHBondContact O-N 3.13Å
346K95.1Very high90.8Very high100 Ų10035.1 Ų35.144%0.43518%0.181SC..Hα-helixtrans-62.9-41.7175.2-72.2-176.3175.7-173.50112.3Y214 I342 L343 V348 N349 D350Y214-K346 WeakPolarHBondContact OH-CB 3.43Å; Y214-K346 PolarHBondContact OH-O 3.43Å; I342-K346 HydrophobicContact CG2-CD 4.22Å; I342-K346 WeakPolarHBondContact O-CB 3.46Å; I342-K346 WeakPolarHBondContact O-CG 3.35Å; I342-K346 PolarHBondContact O-N 3.18Å; L343-K346 PolarHBondContact O-N 2.7Å; K346-V348 PolarHBondContact O-N 3.32Å; K346-N349 WeakPolarHBondContact O-CB 3.19Å; K346-N349 PolarHBondContact O-N 3.16Å; K346-D350 WeakPolarHBondContact O-CB 3.43Å; K346-D350 PolarHBondContact O-N 3.47Å
347L95.8Very high91.2Very high3 Ų333.8 Ų33.82%0.01617%0.174CC..Hα-helixtrans-56.7-52.7176.3173.869.4000111.2Y200 Y214 L343 K344 N349 D350 V351 F378Y200-L347 HydrophobicContact CD1-CD1 4.44Å; Y200-L347 HydrophobicContact CD1-CD2 3.37Å; Y200-L347 HydrophobicContact CD2-CD2 4.06Å; Y200-L347 HydrophobicContact CE1-CD2 3.52Å; Y200-L347 HydrophobicContact CE2-CD2 4.23Å; Y200-L347 HydrophobicContact CG-CD1 4.04Å; Y200-L347 HydrophobicContact CG-CD2 3.64Å; Y214-L347 HydrophobicContact CD1-CB 4.3Å; Y214-L347 HydrophobicContact CD1-CD1 3.49Å; Y214-L347 VanDerWaalsContact CD1-CD1 3.49Å; Y214-L347 HydrophobicContact CD1-CG 4.45Å; Y214-L347 HydrophobicContact CD2-CD1 3.95Å; Y214-L347 HydrophobicContact CE1-CB 3.76Å; Y214-L347 HydrophobicContact CE1-CD1 3.78Å; Y214-L347 HydrophobicContact CE1-CG 4.38Å; Y214-L347 HydrophobicContact CE2-CD1 4.17Å; Y214-L347 HydrophobicContact CG-CD1 3.62Å; Y214-L347 WeakPolarHBondContact OH-CA 3.2Å; Y214-L347 PolarHBondContact OH-N 2.87Å; L343-L347 WeakPolarHBondContact O-CB 3.36Å; L343-L347 PolarHBondContact O-N 3.11Å; K344-L347 PolarHBondContact O-N 2.72Å; L347-N349 VanDerWaalsContact C-N 3.31Å; L347-N349 PolarHBondContact O-N 3.49Å; L347-D350 PolarHBondContact O-N 3.46Å; L347-V351 HydrophobicContact CD1-CG2 4.37Å; L347-V351 VanDerWaalsContact O-CG2 3.25Å; L347-V351 WeakPolarHBondContact O-CG2 3.37Å; L347-V351 PolarHBondContact O-N 3.24Å; L347-F378 HydrophobicContact CD1-CE1 4.47Å; L347-F378 HydrophobicContact CD1-CE2 4.22Å; L347-F378 HydrophobicContact CD1-CZ 3.63Å
348V94.9Very high91.1Very high2 Ų239.9 Ų39.91%0.01221%0.206CC..Hα-helixtrans-64.1-40-179.9173.80000110.9N18 W37 L333 K344 Y345 K346 D350 V351 I352N18-V348 HydrophobicContact CB-CG1 4.01Å; W37-V348 HydrophobicContact CH2-CG1 3.94Å; W37-V348 HydrophobicContact CH2-CG2 4.18Å; W37-V348 HydrophobicContact CZ3-CG1 3.96Å; L333-V348 HydrophobicContact CD1-CG2 4.15Å; L333-V348 HydrophobicContact CD2-CG2 4.12Å; K344-V348 WeakPolarHBondContact O-CG2 3.22Å; K344-V348 PolarHBondContact O-N 2.66Å; Y345-V348 PolarHBondContact O-N 3.15Å; K346-V348 PolarHBondContact O-N 3.32Å; V348-D350 PolarHBondContact O-N 2.91Å; V348-V351 PolarHBondContact O-N 3.05Å; V348-I352 HydrophobicContact CG1-CD1 3.73Å; V348-I352 HydrophobicContact CG1-CG1 4.39Å; V348-I352 WeakPolarHBondContact O-CD1 3.48Å; V348-I352 VanDerWaalsContact O-CG1 3.25Å; V348-I352 WeakPolarHBondContact O-CG1 3.47Å; V348-I352 PolarHBondContact O-N 2.92Å
349N94.9Very high90.8Very high43 Ų4339.1 Ų39.123%0.2320%0.203CC..Hα-helixtrans-55.3-51.4174.617976.3000112N18 R22 Y345 K346 L347 I352 N353N18-N349 WeakPolarHBondContact OD1-CA 3.34Å; N18-N349 WeakPolarHBondContact OD1-CB 3.25Å; N18-N349 PolarHBondContact OD1-N 2.71Å; N18-N349 PolarHBondContact OD1-OD1 2.9Å; R22-N349 PolarHBondContact NH1-OD1 3.16Å; R22-N349 PolarHBondContact NH2-O 3.1Å; R22-N349 PolarHBondContact NH2-OD1 3.34Å; Y345-N349 WeakPolarHBondContact O-CB 3.5Å; Y345-N349 PolarHBondContact O-N 3.13Å; K346-N349 WeakPolarHBondContact O-CB 3.19Å; K346-N349 PolarHBondContact O-N 3.16Å; L347-N349 VanDerWaalsContact C-N 3.31Å; L347-N349 PolarHBondContact O-N 3.49Å; N349-I352 PolarHBondContact O-N 2.51Å; N349-N353 VanDerWaalsContact O-CG 3.28Å; N349-N353 PolarHBondContact O-N 3.08Å; N349-N353 PolarHBondContact O-OD1 3.23Å
350D95.6Very high90.8Very high13 Ų1339.6 Ų39.67%0.0720%0.203CC..Hα-helixtrans-71.7-34.8-175.6-60.5-11.7000110.8Y214 K346 L347 V348 N353 I354 Q377 F378Y214-D350 HydrophobicContact CE2-CB 3.92Å; Y214-D350 VanDerWaalsContact CE2-OD2 3.25Å; Y214-D350 WeakPolarHBondContact CE2-OD2 3.32Å; Y214-D350 PolarHBondContact OH-OD2 2.96Å; K346-D350 WeakPolarHBondContact O-CB 3.43Å; K346-D350 PolarHBondContact O-N 3.47Å; L347-D350 PolarHBondContact O-N 3.46Å; V348-D350 PolarHBondContact O-N 2.91Å; D350-N353 PolarHBondContact O-N 2.89Å; D350-I354 WeakPolarHBondContact O-CG1 3.46Å; D350-I354 PolarHBondContact O-N 3.27Å; D350-I354 VanDerWaalsContact O-N 3.14Å; D350-Q377 PolarHBondContact OD2-N 3.33Å; D350-Q377 VanDerWaalsContact OD2-N 3.09Å; D350-F378 HydrophobicContact CB-CD2 3.74Å; D350-F378 HydrophobicContact CB-CE2 3.79Å
351V95.4Very high90.8Very high1 Ų141.6 Ų41.61%0.00622%0.215CC..Hα-helixtrans-57.8-50.1170.6168.10000110.3W37 L202 F307 C309 L347 V348 N353 I354 V355 F378W37-V351 HydrophobicContact CH2-CG1 4.35Å; W37-V351 HydrophobicContact CZ3-CG1 4.42Å; L202-V351 HydrophobicContact CD1-CG1 4.06Å; L202-V351 HydrophobicContact CD1-CG2 4.37Å; L202-V351 HydrophobicContact CD2-CG1 4.45Å; L202-V351 HydrophobicContact CD2-CG2 4.31Å; F307-V351 HydrophobicContact CD2-CG1 4.15Å; F307-V351 HydrophobicContact CE2-CG1 3.72Å; C309-V351 HydrophobicContact CB-CG2 4.46Å; L347-V351 HydrophobicContact CD1-CG2 4.37Å; L347-V351 VanDerWaalsContact O-CG2 3.25Å; L347-V351 WeakPolarHBondContact O-CG2 3.37Å; L347-V351 PolarHBondContact O-N 3.24Å; V348-V351 PolarHBondContact O-N 3.05Å; V351-N353 VanDerWaalsContact C-N 3.3Å; V351-N353 PolarHBondContact O-N 2.83Å; V351-I354 PolarHBondContact O-N 2.94Å; V351-I354 VanDerWaalsContact O-N 3.17Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 3.26Å; V351-F378 HydrophobicContact CG2-CE2 3.72Å; V351-F378 HydrophobicContact CG2-CZ 3.6Å
352I93.7Very high90.8Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-61.8-40.3-179.1-66.6163.1000110.9N18 F19 W24 W37 V348 N349 I354 V355 V356N18-I352 HydrophobicContact CB-CD1 3.84Å; F19-I352 HydrophobicContact CD1-CD1 3.83Å; F19-I352 HydrophobicContact CE1-CD1 3.47Å; F19-I352 VanDerWaalsContact CE1-CD1 3.47Å; F19-I352 HydrophobicContact CE1-CG1 3.99Å; F19-I352 HydrophobicContact CZ-CD1 4.22Å; W24-I352 HydrophobicContact CH2-CG2 3.43Å; W24-I352 VanDerWaalsContact CH2-CG2 3.43Å; W24-I352 HydrophobicContact CZ2-CG2 4.33Å; W24-I352 HydrophobicContact CZ3-CG2 3.9Å; W37-I352 HydrophobicContact CZ3-CG1 4.26Å; V348-I352 HydrophobicContact CG1-CD1 3.73Å; V348-I352 HydrophobicContact CG1-CG1 4.39Å; V348-I352 WeakPolarHBondContact O-CD1 3.48Å; V348-I352 VanDerWaalsContact O-CG1 3.25Å; V348-I352 WeakPolarHBondContact O-CG1 3.47Å; V348-I352 PolarHBondContact O-N 2.92Å; N349-I352 PolarHBondContact O-N 2.51Å; I352-I354 VanDerWaalsContact C-N 3.27Å; I352-I354 PolarHBondContact O-N 3.22Å; I352-V355 PolarHBondContact O-N 2.87Å; I352-V356 CarbonylContact O-C 3.56Å; I352-V356 WeakPolarHBondContact O-CA 3.47Å; I352-V356 PolarHBondContact O-N 3.14Å
353N92.7Very high90.6Very high44 Ų4434.1 Ų34.124%0.23519%0.188CC..Hα-helixtrans-63.1-32.7178-70.1-10.4000113R22 N349 D350 V351 P357 Q374R22-N353 PolarHBondContact NH2-OD1 3.35Å; N349-N353 VanDerWaalsContact O-CG 3.28Å; N349-N353 PolarHBondContact O-N 3.08Å; N349-N353 PolarHBondContact O-OD1 3.23Å; D350-N353 PolarHBondContact O-N 2.89Å; V351-N353 VanDerWaalsContact C-N 3.3Å; V351-N353 PolarHBondContact O-N 2.83Å; N353-P357 WeakPolarHBondContact O-CA 3.48Å; N353-Q374 WeakPolarHBondContact CB-O 3.43Å
354I92.7Very high90.3Very high2 Ų234.2 Ų34.21%0.0119%0.189CC..Hα-helixtrans-74.7-44.4175.8-67.2168.1000110.9L202 T204 Y212 D350 V351 I352 V370 M375 F378L202-I354 HydrophobicContact CD2-CB 4.02Å; L202-I354 HydrophobicContact CD2-CD1 3.74Å; L202-I354 HydrophobicContact CD2-CG1 4.49Å; L202-I354 HydrophobicContact CD2-CG2 3.81Å; T204-I354 HydrophobicContact CG2-CG2 3.99Å; Y212-I354 HydrophobicContact CD1-CD1 4.34Å; Y212-I354 HydrophobicContact CE1-CG2 4.47Å; Y212-I354 HydrophobicContact CE2-CG2 4.12Å; Y212-I354 HydrophobicContact CG-CD1 4.48Å; D350-I354 WeakPolarHBondContact O-CG1 3.46Å; D350-I354 PolarHBondContact O-N 3.27Å; D350-I354 VanDerWaalsContact O-N 3.14Å; V351-I354 PolarHBondContact O-N 2.94Å; V351-I354 VanDerWaalsContact O-N 3.17Å; I352-I354 VanDerWaalsContact C-N 3.27Å; I352-I354 PolarHBondContact O-N 3.22Å; I354-V370 HydrophobicContact CG1-CG1 4.15Å; I354-V370 HydrophobicContact CG2-CG2 4.26Å; I354-M375 HydrophobicContact CD1-CG 4.4Å; I354-M375 HydrophobicContact CG1-CG 4.28Å; I354-F378 HydrophobicContact CD1-CB 3.77Å; I354-F378 HydrophobicContact CD1-CD1 4.5Å; I354-F378 HydrophobicContact CD1-CD2 3.36Å; I354-F378 HydrophobicContact CD1-CE2 4.08Å; I354-F378 HydrophobicContact CD1-CG 3.62Å
355V91.7Very high89.8Confident4 Ų440.3 Ų40.32%0.02422%0.215CC..Hα-helixtrans-82.5-28.3-172.3-61.80000113.6I60 T204 F307 V351 I352 K368I60-V355 HydrophobicContact CD1-CB 4.13Å; I60-V355 HydrophobicContact CD1-CG2 4.06Å; T204-V355 HydrophobicContact CG2-CG1 4.33Å; F307-V355 HydrophobicContact CB-CG1 3.86Å; F307-V355 HydrophobicContact CD1-CB 4.09Å; F307-V355 HydrophobicContact CD1-CG1 3.78Å; F307-V355 HydrophobicContact CD1-CG2 4.36Å; F307-V355 HydrophobicContact CD2-CG1 3.72Å; F307-V355 HydrophobicContact CE1-CB 4.21Å; F307-V355 HydrophobicContact CE1-CG1 4.22Å; F307-V355 HydrophobicContact CE1-CG2 3.98Å; F307-V355 HydrophobicContact CE2-CG1 4.16Å; F307-V355 HydrophobicContact CE2-CG2 4.32Å; F307-V355 HydrophobicContact CG-CB 4.32Å; F307-V355 HydrophobicContact CG-CG1 3.5Å; F307-V355 HydrophobicContact CZ-CG1 4.39Å; F307-V355 HydrophobicContact CZ-CG2 3.95Å; V351-V355 VanDerWaalsContact O-CG2 3.3Å; V351-V355 WeakPolarHBondContact O-CG2 3.41Å; V351-V355 PolarHBondContact O-N 3.26Å; I352-V355 PolarHBondContact O-N 2.87Å; V355-K368 PolarHBondContact O-NZ 2.84Å
356V90.3Very high88.9Confident4 Ų439.9 Ų39.92%0.02422%0.224CC..SBendtrans-131.170.8177.9-168.20000109.2I4 W24 I35 I60 I352 T360 P362I4-V356 HydrophobicContact CD1-CG1 3.7Å; W24-V356 HydrophobicContact CH2-CB 3.94Å; W24-V356 HydrophobicContact CH2-CG1 3.89Å; W24-V356 HydrophobicContact CH2-CG2 4.21Å; W24-V356 HydrophobicContact CZ2-CB 4.48Å; W24-V356 HydrophobicContact CZ2-CG1 4.06Å; I35-V356 HydrophobicContact CD1-CG2 4.25Å; I60-V356 HydrophobicContact CD1-CG2 3.33Å; I60-V356 HydrophobicContact CG1-CG2 4.46Å; I352-V356 CarbonylContact O-C 3.56Å; I352-V356 WeakPolarHBondContact O-CA 3.47Å; I352-V356 PolarHBondContact O-N 3.14Å; V356-T360 WeakPolarHBondContact CG1-O 3.37Å; V356-P362 HydrophobicContact CG1-CG 4.22Å; V356-P362 HydrophobicContact CG2-CG 4.05Å
357P84.5Confident87.7Confident23 Ų2340.1 Ų40.115%0.14923%0.23CC..G310 helixtrans-61.5145.6-177.925.8-33.4000111.1N353 G359 T360N353-P357 WeakPolarHBondContact O-CA 3.48Å; P357-G359 PolarHBondContact O-N 3.11Å; P357-T360 PolarHBondContact O-N 3.42Å; P357-T360 PolarHBondContact O-OG1 3.32Å; P357-T360 VanDerWaalsContact O-OG1 3.12Å
358N80.2Confident86.5Confident136 Ų13642.7 Ų42.773%0.72724%0.241SC*.G310 helixtrans608.7176.7-56.6-33.7000116.4T360 Q374N358-T360 HydrophobicContact CB-CG2 4.26Å; N358-T360 PolarHBondContact O-N 3.34Å; N358-Q374 PolarHBondContact OD1-NE2 2.99Å
359G78.2Confident85.4Confident38 Ų3848.9 Ų48.939%0.39227%0.273SS..G310 helixtrans61.326.6-176.200000112.9I4 P357I4-G359 WeakPolarHBondContact CD1-O 3.41Å; P357-G359 PolarHBondContact O-N 3.11Å
360T84.4Confident84.8Confident78 Ų7848 Ų4848%0.47927%0.27SS..PPolyproline II helixtrans-86.1148.8169.554.50000109.8I4 V356 P357 N358I4-T360 WeakPolarHBondContact CD1-O 3.19Å; V356-T360 WeakPolarHBondContact CG1-O 3.37Å; P357-T360 PolarHBondContact O-N 3.42Å; P357-T360 PolarHBondContact O-OG1 3.32Å; P357-T360 VanDerWaalsContact O-OG1 3.12Å; N358-T360 HydrophobicContact CB-CG2 4.26Å; N358-T360 PolarHBondContact O-N 3.34Å
361V87.3Confident84.4Confident47 Ų4750.5 Ų50.529%0.28529%0.285SS..PPolyproline II helixtrans-48.4129.8173.4179.40000108.6S2 I4 N58S2-V361 WeakPolarHBondContact OG-CG2 3.37Å; I4-V361 HydrophobicContact CG1-CG2 4.41Å; N58-V361 HydrophobicContact CB-CG1 3.65Å
362P88.3Confident83.9Confident8 Ų857.5 Ų57.55%0.05232%0.316CS..PPolyproline II helixtrans-53.2147.2178.5-2332.3000110.6N34 N58 I60 V356N34-P362 HydrophobicContact CB-CG 4.4Å; N58-P362 VanDerWaalsContact CA-O 3.22Å; N58-P362 WeakPolarHBondContact CA-O 3.42Å; I60-P362 HydrophobicContact CD1-CB 4.47Å; I60-P362 HydrophobicContact CD1-CG 4.13Å; I60-P362 HydrophobicContact CG1-CB 4.39Å; I60-P362 HydrophobicContact CG1-CG 4.04Å; I60-P362 HydrophobicContact CG2-CB 3.88Å; I60-P362 HydrophobicContact CG2-CG 4.44Å; V356-P362 HydrophobicContact CG1-CG 4.22Å; V356-P362 HydrophobicContact CG2-CG 4.05Å
363D87.9Confident83.6Confident71 Ų7164.8 Ų64.838%0.3835%0.35SS..  trans-137.1112.4166.7177.50.9000107D57 K365 S366D57-D363 WeakPolarHBondContact O-CA 2.94Å; D363-K365 PolarHBondContact O-N 2.9Å; D363-K365 WeakPolarHBondContact OD1-CB 3.29Å; D363-K365 PolarHBondContact OD1-N 2.79Å; D363-S366 PolarHBondContact O-N 3.31Å
364V85.6Confident83.4Confident17 Ų1763.9 Ų63.910%0.10334%0.344CS..THydrogen-bonded Turntrans-71.5-11.2-179.8-60.50000113.7D57 I60 R304 H305D57-V364 HydrophobicContact CB-CG2 4.02Å; D57-V364 PolarHBondContact O-N 3.47Å; I60-V364 HydrophobicContact CG2-CG1 4.19Å; R304-V364 HydrophobicContact CB-CB 3.91Å; R304-V364 HydrophobicContact CB-CG1 4.46Å; R304-V364 HydrophobicContact CB-CG2 4.49Å; H305-V364 HydrophobicContact CB-CG1 4.43Å; H305-V364 VanDerWaalsContact CD2-CG1 3.48Å; H305-V364 WeakPolarHBondContact CD2-CG1 3.37Å
365K82.1Confident83.3Confident136 Ų13665 Ų6559%0.59135%0.35SS*.THydrogen-bonded Turntrans-91.1-20.6175-65.1172.2174.2163.30112.4D57 D363D57-K365 VanDerWaalsContact OD1-CE 3.31Å; D57-K365 WeakPolarHBondContact OD1-CE 3.35Å; D57-K365 IonicContact OD1-NZ 3.43Å; D57-K365 WeakPolarHBondContact OD2-CE 3.39Å; D57-K365 IonicContact OD2-NZ 2.76Å; D57-K365 PolarHBondContact OD2-NZ 2.85Å; D363-K365 PolarHBondContact O-N 2.9Å; D363-K365 WeakPolarHBondContact OD1-CB 3.29Å; D363-K365 PolarHBondContact OD1-N 2.79Å
366S76.8Confident83.4Confident68 Ų6866.3 Ų66.348%0.47636%0.364SS..SBendtrans-75.2132.3178.9-175.80000111.1D363 K368D363-S366 PolarHBondContact O-N 3.31Å; S366-K368 PolarHBondContact O-N 2.86Å; S366-K368 VanDerWaalsContact O-N 3.16Å
367N69.3Low83.6Confident105 Ų10569.4 Ų69.456%0.56138%0.378SS*.  trans-74.3108.8175-157.7-3.7000109.3N369N367-N369 PolarHBondContact O-N 3.22Å
368K70Confident84.2Confident57 Ų5768.4 Ų68.425%0.24837%0.371CS..  trans-7787.7-174.3-60.7-178.6-173.2179.60110V355 S366 V370V355-K368 PolarHBondContact O-NZ 2.84Å; S366-K368 PolarHBondContact O-N 2.86Å; S366-K368 VanDerWaalsContact O-N 3.16Å; K368-V370 HydrophobicContact CB-CG2 4.41Å; K368-V370 PolarHBondContact O-N 3.1Å
369N71.5Confident84.9Confident131 Ų13165 Ų6570%0.70135%0.353SS*.  trans-77.894.5166.5-79.3-22.9000109.4N367N367-N369 PolarHBondContact O-N 3.22Å
370V83.2Confident85.7Confident26 Ų2665.9 Ų65.916%0.15835%0.348CS..  trans-84.9125.3178.9-171.10000109.5I354 K368 Q374 M375I354-V370 HydrophobicContact CG1-CG1 4.15Å; I354-V370 HydrophobicContact CG2-CG2 4.26Å; K368-V370 HydrophobicContact CB-CG2 4.41Å; K368-V370 PolarHBondContact O-N 3.1Å; V370-Q374 HydrophobicContact CG1-CB 3.56Å; V370-M375 HydrophobicContact CB-CG 4.4Å; V370-M375 HydrophobicContact CG1-CG 3.75Å
371T86.3Confident86.2Confident64 Ų6464 Ų6439%0.39334%0.335SS..  trans-72.7159.8176.859.10000111.5E373 Q374 M375T371-E373 WeakPolarHBondContact CB-OE2 2.97Å; T371-E373 PolarHBondContact O-N 3.32Å; T371-Q374 PolarHBondContact O-N 2.96Å; T371-Q374 VanDerWaalsContact O-N 3.15Å; T371-Q374 WeakPolarHBondContact OG1-CB 3.43Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.46Å; T371-Q374 PolarHBondContact OG1-N 3.09Å; T371-Q374 PolarHBondContact OG1-OE1 3.12Å; T371-M375 WeakPolarHBondContact O-CG 3.32Å; T371-M375 PolarHBondContact O-N 3.22Å; T371-M375 VanDerWaalsContact O-N 3.09Å
372K86.5Confident86.7Confident148 Ų14863.8 Ų63.864%0.64333%0.329SS*.Hα-helixtrans-61.9-34.3179.7-171174.7-179.9177.70112.1M375K372-M375 HydrophobicContact CB-CE 4.25Å; K372-M375 HydrophobicContact CG-CE 4.42Å; K372-M375 PolarHBondContact O-N 3.45Å
373E87.1Confident86.9Confident153 Ų15364 Ų6472%0.71533%0.33SS*.Hα-helixtrans-65.3-41.6176.7-63.170.3-152.700111.2T371 G376T371-E373 WeakPolarHBondContact CB-OE2 2.97Å; T371-E373 PolarHBondContact O-N 3.32Å; E373-G376 PolarHBondContact O-N 2.92Å
374Q87.4Confident87.2Confident26 Ų2663.5 Ų63.512%0.12133%0.326CS..Hα-helixtrans-69.7-32.2177.8-73.6167-35.400112.8N353 N358 V370 T371 G376N353-Q374 WeakPolarHBondContact CB-O 3.43Å; N358-Q374 PolarHBondContact OD1-NE2 2.99Å; V370-Q374 HydrophobicContact CG1-CB 3.56Å; T371-Q374 PolarHBondContact O-N 2.96Å; T371-Q374 VanDerWaalsContact O-N 3.15Å; T371-Q374 WeakPolarHBondContact OG1-CB 3.43Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.46Å; T371-Q374 PolarHBondContact OG1-N 3.09Å; T371-Q374 PolarHBondContact OG1-OE1 3.12Å; Q374-G376 PolarHBondContact O-N 2.74Å
375M91.3Very high87.4Confident26 Ų2666.5 Ų66.513%0.12834%0.339CS..Hα-helixtrans-65.5-20.7176-69.2-169.1-72.600112.8Y212 I354 V370 T371 K372 Q377 F378 L380Y212-M375 HydrophobicContact CD1-SD 3.91Å; Y212-M375 HydrophobicContact CE1-CG 4.46Å; Y212-M375 HydrophobicContact CE1-SD 3.74Å; I354-M375 HydrophobicContact CD1-CG 4.4Å; I354-M375 HydrophobicContact CG1-CG 4.28Å; V370-M375 HydrophobicContact CB-CG 4.4Å; V370-M375 HydrophobicContact CG1-CG 3.75Å; T371-M375 WeakPolarHBondContact O-CG 3.32Å; T371-M375 PolarHBondContact O-N 3.22Å; T371-M375 VanDerWaalsContact O-N 3.09Å; K372-M375 HydrophobicContact CB-CE 4.25Å; K372-M375 HydrophobicContact CG-CE 4.42Å; K372-M375 PolarHBondContact O-N 3.45Å; M375-Q377 PolarHBondContact O-N 3.36Å; M375-Q377 VanDerWaalsContact O-N 3.08Å; M375-F378 HydrophobicContact CB-CB 4.24Å; M375-F378 WeakPolarHBondContact O-CB 3.38Å; M375-F378 PolarHBondContact O-N 3.39Å; M375-L380 HydrophobicContact SD-CB 4.4Å
376G93.1Very high87.8Confident30 Ų3064.8 Ų64.831%0.30933%0.331SS..THydrogen-bonded Turntrans58.5-114.4179.400000111.5E373 Q374E373-G376 PolarHBondContact O-N 2.92Å; Q374-G376 PolarHBondContact O-N 2.74Å
377Q95.3Very high88.4Confident70 Ų7062.9 Ų62.933%0.32732%0.32SS..THydrogen-bonded Turntrans-91.64.5177.4-61.8-65.1-31.900114.1Y214 K215 L216 D350 M375Y214-Q377 HydrophobicContact CD2-CB 4.01Å; Y214-Q377 HydrophobicContact CE1-CB 4.41Å; Y214-Q377 HydrophobicContact CE2-CB 3.41Å; Y214-Q377 VanDerWaalsContact CE2-CB 3.41Å; K215-Q377 WeakPolarHBondContact CB-O 3.35Å; K215-Q377 VanDerWaalsContact CG-O 3.27Å; K215-Q377 WeakPolarHBondContact CG-O 3.43Å; K215-Q377 PolarHBondContact N-O 3.36Å; L216-Q377 HydrophobicContact CD1-CB 4.48Å; L216-Q377 HydrophobicContact CD1-CG 4.03Å; L216-Q377 HydrophobicContact CG-CB 4.33Å; L216-Q377 HydrophobicContact CG-CG 4.25Å; D350-Q377 PolarHBondContact OD2-N 3.33Å; D350-Q377 VanDerWaalsContact OD2-N 3.09Å; M375-Q377 PolarHBondContact O-N 3.36Å; M375-Q377 VanDerWaalsContact O-N 3.08Å
378F96.7Very high89.3Confident2 Ų263.4 Ų63.41%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-80.4142.4168.9-75.4-79.3000111.6L202 V213 Y214 L347 D350 V351 I354 M375L202-F378 HydrophobicContact CB-CD1 4.31Å; L202-F378 HydrophobicContact CB-CE1 3.63Å; L202-F378 HydrophobicContact CB-CZ 3.94Å; L202-F378 HydrophobicContact CD2-CZ 4.41Å; V213-F378 CarbonylContact O-C 3.38Å; V213-F378 WeakPolarHBondContact O-CA 3.33Å; Y214-F378 HydrophobicContact CD2-CB 4.48Å; Y214-F378 AromaticContact CD2-CD1 3.69Å; Y214-F378 HydrophobicContact CD2-CD1 3.69Å; Y214-F378 AromaticContact CD2-CD2 3.45Å; Y214-F378 HydrophobicContact CD2-CD2 3.45Å; Y214-F378 VanDerWaalsContact CD2-CD2 3.45Å; Y214-F378 AromaticContact CD2-CE1 3.62Å; Y214-F378 HydrophobicContact CD2-CE1 3.62Å; Y214-F378 AromaticContact CD2-CE2 3.36Å; Y214-F378 HydrophobicContact CD2-CE2 3.36Å; Y214-F378 AromaticContact CD2-CG 3.61Å; Y214-F378 HydrophobicContact CD2-CG 3.61Å; Y214-F378 AromaticContact CD2-CZ 3.45Å; Y214-F378 HydrophobicContact CD2-CZ 3.45Å; Y214-F378 VanDerWaalsContact CD2-CZ 3.45Å; Y214-F378 AromaticContact CE2-CD2 3.69Å; Y214-F378 HydrophobicContact CE2-CD2 3.69Å; Y214-F378 AromaticContact CE2-CE2 3.59Å; Y214-F378 HydrophobicContact CE2-CE2 3.59Å; Y214-F378 HydrophobicContact CE2-CG 4.26Å; Y214-F378 HydrophobicContact CE2-CZ 4.09Å; Y214-F378 HydrophobicContact CG-CD1 4.32Å; Y214-F378 HydrophobicContact CG-CE1 4.01Å; Y214-F378 HydrophobicContact CG-CE2 4.34Å; Y214-F378 HydrophobicContact CG-CZ 4.01Å; L347-F378 HydrophobicContact CD1-CE1 4.47Å; L347-F378 HydrophobicContact CD1-CE2 4.22Å; L347-F378 HydrophobicContact CD1-CZ 3.63Å; D350-F378 HydrophobicContact CB-CD2 3.74Å; D350-F378 HydrophobicContact CB-CE2 3.79Å; V351-F378 HydrophobicContact CG2-CE2 3.72Å; V351-F378 HydrophobicContact CG2-CZ 3.6Å; I354-F378 HydrophobicContact CD1-CB 3.77Å; I354-F378 HydrophobicContact CD1-CD1 4.5Å; I354-F378 HydrophobicContact CD1-CD2 3.36Å; I354-F378 HydrophobicContact CD1-CE2 4.08Å; I354-F378 HydrophobicContact CD1-CG 3.62Å; M375-F378 HydrophobicContact CB-CB 4.24Å; M375-F378 WeakPolarHBondContact O-CB 3.38Å; M375-F378 PolarHBondContact O-N 3.39Å
379D95.3Very high90.1Very high63 Ų6368 Ų6834%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-109.9142.6160.3-69.6-33.3000109.3Y212 V213 K215 L381Y212-D379 CarbonylContact C-O 3.46Å; Y212-D379 VanDerWaalsContact CA-O 3.24Å; Y212-D379 WeakPolarHBondContact CA-O 3.38Å; V213-D379 HydrophobicContact CG1-CB 4.23Å; V213-D379 PolarHBondContact N-O 3.24Å; V213-D379 PolarHBondContact O-N 3.1Å; K215-D379 WeakPolarHBondContact CE-OD1 3.32Å; K215-D379 WeakPolarHBondContact CE-OD2 3.22Å; K215-D379 IonicContact NZ-OD1 3.76Å; K215-D379 PolarHBondContact NZ-OD1 3.2Å; K215-D379 IonicContact NZ-OD2 3.87Å; K215-D379 PolarHBondContact NZ-OD2 3.48Å; D379-L381 PolarHBondContact O-N 2.84Å
380L94.9Very high90.4Very high57 Ų5769.5 Ų69.530%0.29835%0.347SS..EExtended strand (participates in β ladder)trans-70109.6170.3-178.666.9000108.5K210 Y212 M375 D383 K386K210-L380 HydrophobicContact CG-CD1 4.11Å; Y212-L380 HydrophobicContact CD1-CB 4.31Å; Y212-L380 HydrophobicContact CD1-CD1 3.95Å; Y212-L380 HydrophobicContact CE1-CB 4.37Å; Y212-L380 HydrophobicContact CE1-CD1 3.63Å; M375-L380 HydrophobicContact SD-CB 4.4Å; L380-D383 HydrophobicContact CD1-CB 4.26Å; L380-D383 HydrophobicContact CD2-CB 4.08Å; L380-D383 HydrophobicContact CG-CB 4.43Å; L380-K386 HydrophobicContact CD2-CD 4.48Å
381L95.5Very high89.7Confident38 Ų3871 Ų7120%0.19936%0.358CS..EExtended strand (participates in β ladder)trans-86.3-40.6-176.6179.361.1000111.8I211 V213 H286 I289 V290 D379I211-L381 HydrophobicContact CB-CB 4.47Å; I211-L381 HydrophobicContact CG2-CB 4.25Å; I211-L381 HydrophobicContact CG2-CD2 4.11Å; I211-L381 PolarHBondContact O-N 3.38Å; V213-L381 HydrophobicContact CB-CB 4.3Å; V213-L381 HydrophobicContact CB-CD2 4.25Å; V213-L381 HydrophobicContact CG1-CB 4.15Å; H286-L381 HydrophobicContact CB-CD1 3.71Å; I289-L381 HydrophobicContact CB-CD2 3.96Å; I289-L381 HydrophobicContact CD1-CD2 4.47Å; I289-L381 HydrophobicContact CG2-CD2 3.67Å; V290-L381 HydrophobicContact CG2-CD2 3.89Å; V290-L381 HydrophobicContact CG2-CG 3.86Å; D379-L381 PolarHBondContact O-N 2.84Å
382Y95.8Very high88.1Confident43 Ų4373.3 Ų73.317%0.16937%0.374CS..EExtended strand (participates in β ladder)trans-154137.6179.4-177.4-108.3000110.5L209 I211 V290 K294 E384 A387L209-Y382 HydrophobicContact CB-CD1 4.46Å; L209-Y382 HydrophobicContact CB-CE1 4.25Å; L209-Y382 HydrophobicContact CD2-CD1 4.06Å; L209-Y382 HydrophobicContact CD2-CE1 4.03Å; L209-Y382 HydrophobicContact CG-CD1 4.08Å; L209-Y382 HydrophobicContact CG-CE1 4.25Å; I211-Y382 HydrophobicContact CD1-CD1 4.12Å; I211-Y382 HydrophobicContact CD1-CG 4.49Å; I211-Y382 PolarHBondContact N-O 3.04Å; I211-Y382 PolarHBondContact O-N 3.27Å; V290-Y382 HydrophobicContact CG1-CD2 4.37Å; V290-Y382 HydrophobicContact CG1-CG 4.19Å; K294-Y382 VanDerWaalsContact CE-CZ 3.41Å; K294-Y382 WeakPolarHBondContact CE-OH 3.11Å; K294-Y382 PolarHBondContact NZ-OH 2.91Å; K294-Y382 VanDerWaalsContact NZ-OH 3.09Å; Y382-E384 HydrophobicContact CE1-CB 3.85Å; Y382-A387 HydrophobicContact CE2-CB 3.85Å
383D94Very high86.6Confident12 Ų1270.4 Ų70.46%0.06438%0.378CS..EExtended strand (participates in β ladder)trans-135.6108.7175.2-168.8-24000107.6K210 L380 E385 K386 A387K210-D383 WeakPolarHBondContact CE-OD2 3.28Å; K210-D383 IonicContact NZ-OD2 2.82Å; K210-D383 PolarHBondContact NZ-OD2 3.4Å; L380-D383 HydrophobicContact CD1-CB 4.26Å; L380-D383 HydrophobicContact CD2-CB 4.08Å; L380-D383 HydrophobicContact CG-CB 4.43Å; D383-E385 VanDerWaalsContact C-N 3.29Å; D383-E385 PolarHBondContact O-N 2.92Å; D383-E385 PolarHBondContact OD1-N 2.64Å; D383-K386 HydrophobicContact CB-CB 4.1Å; D383-K386 HydrophobicContact CB-CD 4.03Å; D383-K386 HydrophobicContact CB-CG 4.05Å; D383-K386 PolarHBondContact O-N 3.32Å; D383-K386 WeakPolarHBondContact OD2-CE 3.19Å; D383-A387 WeakPolarHBondContact O-CB 3.22Å; D383-A387 PolarHBondContact O-N 3.27Å
384E92.8Very high84.6Confident62 Ų6266.5 Ų66.529%0.2937%0.372SS..Hα-helixtrans-62.8-34.8-175-176.1169.7-126.900112.4P208 L209 Y382 A387 L388P208-E384 VanDerWaalsContact CA-OE2 3.28Å; P208-E384 WeakPolarHBondContact CA-OE2 3.38Å; P208-E384 HydrophobicContact CB-CB 4.07Å; L209-E384 HydrophobicContact CB-CB 4.16Å; L209-E384 PolarHBondContact N-OE2 2.78Å; L209-E384 WeakPolarHBondContact O-CB 3.43Å; L209-E384 PolarHBondContact O-N 2.73Å; Y382-E384 HydrophobicContact CE1-CB 3.85Å; E384-A387 PolarHBondContact O-N 3.34Å; E384-L388 HydrophobicContact CG-CD1 4.21Å; E384-L388 VanDerWaalsContact O-CG 3.27Å; E384-L388 WeakPolarHBondContact O-CG 3.31Å; E384-L388 PolarHBondContact O-N 3.26Å
385E90.7Very high82.4Confident80 Ų8071 Ų7137%0.37440%0.401SS..Hα-helixtrans-64-49.1177-68.7-179.1143.700110.6P208 D383 A387 L388 E389P208-E385 HydrophobicContact CB-CG 3.59Å; P208-E385 HydrophobicContact CG-CG 3.58Å; D383-E385 VanDerWaalsContact C-N 3.29Å; D383-E385 PolarHBondContact O-N 2.92Å; D383-E385 PolarHBondContact OD1-N 2.64Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.14Å; E385-L388 PolarHBondContact O-N 2.69Å; E385-L388 VanDerWaalsContact O-N 3.16Å; E385-E389 WeakPolarHBondContact O-CG 3.5Å; E385-E389 PolarHBondContact O-N 3.25Å
386K89.6Confident79.7Confident99 Ų9977.1 Ų77.143%0.4344%0.435SS..Hα-helixtrans-62.4-39.7177.8-63.8-175.1-178.6-1780112.3L380 D383 L388 E389 E390L380-K386 HydrophobicContact CD2-CD 4.48Å; D383-K386 HydrophobicContact CB-CB 4.1Å; D383-K386 HydrophobicContact CB-CD 4.03Å; D383-K386 HydrophobicContact CB-CG 4.05Å; D383-K386 PolarHBondContact O-N 3.32Å; D383-K386 WeakPolarHBondContact OD2-CE 3.19Å; K386-L388 VanDerWaalsContact C-N 3.27Å; K386-L388 PolarHBondContact O-N 2.64Å; K386-E389 PolarHBondContact O-N 2.99Å; K386-E390 WeakPolarHBondContact O-CG 3.32Å; K386-E390 PolarHBondContact O-N 3Å
387A89.9Confident76.9Confident29 Ų2979.9 Ų79.924%0.2446%0.455CS..Hα-helixtrans-65.1-31.217800000112.8Y382 D383 E384 E385 S391Y382-A387 HydrophobicContact CE2-CB 3.85Å; D383-A387 WeakPolarHBondContact O-CB 3.22Å; D383-A387 PolarHBondContact O-N 3.27Å; E384-A387 PolarHBondContact O-N 3.34Å; E385-A387 VanDerWaalsContact C-N 3.32Å; E385-A387 PolarHBondContact O-N 3.14Å; A387-S391 PolarHBondContact O-N 3.04Å; A387-S391 PolarHBondContact O-OG 3.29Å
388L88.8Confident73.9Confident115 Ų11585.2 Ų85.260%0.60248%0.48SS*.Hα-helixtrans-75.2-36.6174.5-71.5169.3000111.9E384 E385 K386 S391E384-L388 HydrophobicContact CG-CD1 4.21Å; E384-L388 VanDerWaalsContact O-CG 3.27Å; E384-L388 WeakPolarHBondContact O-CG 3.31Å; E384-L388 PolarHBondContact O-N 3.26Å; E385-L388 PolarHBondContact O-N 2.69Å; E385-L388 VanDerWaalsContact O-N 3.16Å; K386-L388 VanDerWaalsContact C-N 3.27Å; K386-L388 PolarHBondContact O-N 2.64Å; L388-S391 PolarHBondContact O-N 2.69Å
389E86.1Confident71Confident154 Ų15490.9 Ų90.972%0.7252%0.516SS*.Hα-helixtrans-66-38.5174.6-70.7175.3179.200112.5E385 K386 S391E385-E389 WeakPolarHBondContact O-CG 3.5Å; E385-E389 PolarHBondContact O-N 3.25Å; K386-E389 PolarHBondContact O-N 2.99Å; E389-S391 VanDerWaalsContact C-N 3.29Å; E389-S391 PolarHBondContact O-N 3.05Å
390E77.4Confident68.1Low163 Ų16396.1 Ų96.176%0.76254%0.539SS*.SBendtrans-76.7-13.6178.6-70.6175.1-176.400113.4K386K386-E390 WeakPolarHBondContact O-CG 3.32Å; K386-E390 PolarHBondContact O-N 3Å
391S68.3Low65.2Low56 Ų56102.6 Ų102.639%0.39257%0.565SS.*SBendtrans-77.3126.8-180-73.60000111.1A387 L388 E389 A393 A394A387-S391 PolarHBondContact O-N 3.04Å; A387-S391 PolarHBondContact O-OG 3.29Å; L388-S391 PolarHBondContact O-N 2.69Å; E389-S391 VanDerWaalsContact C-N 3.29Å; E389-S391 PolarHBondContact O-N 3.05Å; S391-A393 PolarHBondContact O-N 3.4Å; S391-A394 PolarHBondContact O-N 3.11Å
392P54.5Low62.3Low113 Ų113108.7 Ų108.773%0.73459%0.592SS**G310 helixtrans-62.8-5.8-171.920.6-31000115.6T395P392-T395 PolarHBondContact O-OG1 3.48Å; P392-T395 VanDerWaalsContact O-OG1 3.12Å
393A55.2Low59.2Low87 Ų87115.3 Ų115.372%0.71962%0.624SS**G310 helixtrans-74.2-20.1176.500000114.1S391 T395S391-A393 PolarHBondContact O-N 3.4Å; A393-T395 VanDerWaalsContact C-N 3.31Å; A393-T395 PolarHBondContact O-N 3.26Å
394A43.8Very low56.5Low71 Ų71120 Ų12059%0.58766%0.658SS**G310 helixtrans-75.7-16.7-179.400000113.8S391S391-A394 PolarHBondContact O-N 3.11Å
395T40.6Very low53.5Low120 Ų120122.6 Ų122.674%0.73668%0.683SS**G310 helixtrans-87.2-1.3-175.811.80000115.9P392 A393P392-T395 PolarHBondContact O-OG1 3.48Å; P392-T395 VanDerWaalsContact O-OG1 3.12Å; A393-T395 VanDerWaalsContact C-N 3.31Å; A393-T395 PolarHBondContact O-N 3.26Å
396N36.2Very low50.9Low156 Ų156124.1 Ų124.183%0.83470%0.703SS**G310 helixtrans-12019.3-175.9-93.8-15.2000115.8
397A33.2Very low48.2Very low88 Ų88125.5 Ų125.573%0.72773%0.725SS**  trans-111.958.5173.800000112.2
398Q32.8Very low45.4Very low182 Ų182127.9 Ų127.985%0.8575%0.752SS**  trans-96.6117.4153.1-84.4-172.7-8.200108.3Q400Q398-Q400 PolarHBondContact O-N 3.49Å; Q398-Q400 VanDerWaalsContact O-N 3.16Å
399P36.8Very low42.8Very low120 Ų120130.4 Ų130.478%0.77977%0.766SS**  trans-69.7114.4168.819.5-15.1000108.1K401P399-K401 PolarHBondContact O-N 3Å
400Q33.3Very low40.4Very low174 Ų174130.6 Ų130.681%0.81377%0.77SS**  trans-54.8102.5164.6-79-177-16.800108.6Q398 Q402Q398-Q400 PolarHBondContact O-N 3.49Å; Q398-Q400 VanDerWaalsContact O-N 3.16Å; Q400-Q402 VanDerWaalsContact C-N 3.27Å; Q400-Q402 PolarHBondContact O-N 3.35Å
401K33.3Very low38.4Very low192 Ų192128.1 Ų128.184%0.83577%0.768SS**  trans-66.393.7157.4-82.8-178.1174.6179.10107.1P399 H403P399-K401 PolarHBondContact O-N 3Å; K401-H403 PolarHBondContact O-N 3.15Å; K401-H403 VanDerWaalsContact O-N 3.12Å
402Q34.5Very low36.8Very low166 Ų166130.2 Ų130.278%0.77678%0.783SS**  trans-68.1103.7158.9-76.8-174.9-300107.7Q400 S404Q400-Q402 VanDerWaalsContact C-N 3.27Å; Q400-Q402 PolarHBondContact O-N 3.35Å; Q402-S404 PolarHBondContact O-N 2.96Å
403H32.3Very low35.5Very low182 Ų182132.5 Ų132.584%0.84379%0.789SS**  trans-65.2110154.8-91.8-78.9000107.9K401K401-H403 PolarHBondContact O-N 3.15Å; K401-H403 VanDerWaalsContact O-N 3.12Å
404S36.3Very low34.4Very low110 Ų110133.8 Ų133.877%0.76979%0.793SS**  trans-119.1105.8154.553.50000108.5Q402Q402-S404 PolarHBondContact O-N 2.96Å
405S30Very low33.9Very low117 Ų117135.4 Ų135.482%0.81880%0.8SS**  trans-75.9120.7165.848.30000109.5
406S36.9Very low33.3Very low113 Ų113138.6 Ų138.679%0.7981%0.806SS**  trans-156.9113.7149.759.90000110.8
407S32.2Very low33.3Very low128 Ų128138.5 Ų138.590%0.89581%0.812SS**  trans-51.9147.516741.10000114.9
408G32.1Very low33.2Very low78 Ų78138 Ų13880%0.80482%0.815SS**  trans161.187.6159.800000116.8
409N33.4Very low33.1Very low168 Ų168137.5 Ų137.590%0.89882%0.817SS**  trans25.9129.1149.4-70.8-11.4000123.8
410I35Very low33Very low158 Ų158141.8 Ų141.881%0.8182%0.823SS**  trans-54.2152.6155.4-61.6169.6000109.9
411P37Very low33Very low112 Ų112137.3 Ų137.373%0.72782%0.824SS**  -154.2154.55635.5-10.1000122.8
412S32.7Very low32.9Very low100 Ų100138.1 Ų138.170%0.69983%0.828SS**  trans62.4118.5133.373.10000124.8
413N29Very low32.8Very low161 Ų161142.2 Ų142.286%0.86184%0.836SS**  71.2140.5125.9-91.5-2.5000125.2
414S30.7Very low32.7Very low113 Ų113142.3 Ų142.379%0.7984%0.837SS**  trans79.4137.9165.679.10000114.7
415S33Very low32.5Very low106 Ų106142 Ų14274%0.74184%0.835SS**  cis-169156.825.725.70000110.8
416Q28.6Very low32.7Very low186 Ų186146.8 Ų146.887%0.86984%0.835SS**  trans-6.1132.6159.4-69.5170.2-21.900120.6
417T36.9Very low32.5Very low154 Ų154148.9 Ų148.995%0.94583%0.834SS**  -169.2148.2127.447.10000105.6
418G31.5Very low32.6Very low77 Ų77146.6 Ų146.679%0.79482%0.819SS**  cis159.111410.100000105.3
419L30.5Very low32.7Very low172 Ų172152.1 Ų152.190%0.90182%0.821SS**  trans-73.8142.4175.9-91.8137000111.6
420K33.8Very low32.9Very low210 Ų210153.6 Ų153.691%0.91382%0.822SS**  trans134.4133.5136.4-77.5-180178.5176.70113.9
421G32.6Very low32.9Very low81 Ų81156.9 Ų156.984%0.83582%0.824SS**  trans159.173.2156.100000117.1
422K31.9Very low33.2Very low208 Ų208159.4 Ų159.490%0.90483%0.832SS**  trans-46.1145.3165-91.2169.5163.9175.40114.1
423R31.9Very low33.5Very low252 Ų252159.3 Ų159.395%0.95183%0.831SS**  -163.2120126-123.1173.6171.5174.9-2.6113
424E30.5Very low34Very low184 Ų184157 Ų15786%0.8683%0.827SS**  trans-104.3147.3164.4-89.3-176.9146.300110.4
425S32.8Very low35.1Very low105 Ų105158.7 Ų158.773%0.73483%0.833SS**  trans74.2123.8146.887.40000120.1
426R33.1Very low35.9Very low217 Ų217167 Ų16782%0.81986%0.856SS**  158.3139.892.5-108-177.4175.2-179.8-0.9112.6
427M32.9Very low36.3Very low156 Ų156166.1 Ų166.177%0.76886%0.855SS**  trans66.5150.7142.9-68.3174.574.700119.1
428S34.3Very low36.2Very low81 Ų81166.7 Ų166.757%0.56685%0.851SS**  cis178.1150.7-17.657.80000107.7
429K33.6Very low36.5Very low194 Ų194171.7 Ų171.784%0.84385%0.854SS**  trans69.9123.6153.4-68.6174.3176177.40120.1
430Q38.5Very low36.9Very low198 Ų198171.7 Ų171.793%0.92585%0.851SS**  -153.2135.9115.2-124.7169.2-7.400111.5
431R36Very low37Very low228 Ų228169.3 Ų169.386%0.8685%0.847SS**  trans-82.2153.9170.3-71.1171.2166.5176.5-6.8108.2
432D42.3Very low37.3Very low165 Ų165175.2 Ų175.288%0.88285%0.848SS**  -164.9144118.2-100.2-19000113.5
433S38.2Very low37.7Very low98 Ų98172.9 Ų172.969%0.68584%0.844SS**  trans-86.3149.4179.145.70000112.2
434S39.4Very low38.2Very low111 Ų111166.8 Ų166.878%0.77684%0.836SS**  trans161.3113.8130.2-74.80000111.4
435T54.9Low38.8Very low150 Ų150165.3 Ų165.392%0.9283%0.834SS**  -159.1138.1126.5-240000108.9
436K49.9Very low39.4Very low281 Ų281170.8 Ų170.8100%1.22284%0.843SS**  trans-62.90178.4-83174.3169.2176.90113.4

Retrieved 436 of 436 residues in 130.1 ms (Link to these results)

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