A0A3Q0KDY8_SCHMA Loading...

Elongation factor 1-beta, putative

AlphaFold DB , UniProt , Accession A0A3Q0KDY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M54.9Low75.9Confident191 Ų19183.5 Ų83.594%0.94148%0.477SS*.  01230-165.8172.7-143.400108.8D3M1-D3 PolarHBondContact O-N 3.42Å
2I68.6Low76.6Confident79 Ų7977.1 Ų77.141%0.40544%0.442SS..  trans-86.5110178.5-65.5156.4000107.3F4 Y19I2-F4 HydrophobicContact CB-CZ 4.38Å; I2-F4 HydrophobicContact CG2-CD1 4.26Å; I2-F4 HydrophobicContact CG2-CD2 4.45Å; I2-F4 HydrophobicContact CG2-CE1 3.67Å; I2-F4 HydrophobicContact CG2-CE2 3.89Å; I2-F4 HydrophobicContact CG2-CZ 3.47Å; I2-F4 VanDerWaalsContact CG2-CZ 3.47Å; I2-Y19 HydrophobicContact CD1-CE2 3.58Å; I2-Y19 WeakPolarHBondContact CD1-OH 3.38Å; I2-Y19 HydrophobicContact CG2-CE2 4.4Å
3D75.8Confident77.3Confident135 Ų13571.9 Ų71.972%0.72241%0.412SS*.  trans-97.6115.6177.7-168.7-97.4000109.2M1 G5M1-D3 PolarHBondContact O-N 3.42Å; D3-G5 PolarHBondContact O-N 3.01Å; D3-G5 WeakPolarHBondContact OD1-CA 3.4Å; D3-G5 PolarHBondContact OD1-N 2.89Å
4F77.3Confident78Confident21 Ų2177.1 Ų77.19%0.09243%0.427CS..  trans-83.5-1.2178.8-58.7-80.3000112.3I2 L7 S12 L16 Y19 I26I2-F4 HydrophobicContact CB-CZ 4.38Å; I2-F4 HydrophobicContact CG2-CD1 4.26Å; I2-F4 HydrophobicContact CG2-CD2 4.45Å; I2-F4 HydrophobicContact CG2-CE1 3.67Å; I2-F4 HydrophobicContact CG2-CE2 3.89Å; I2-F4 HydrophobicContact CG2-CZ 3.47Å; I2-F4 VanDerWaalsContact CG2-CZ 3.47Å; F4-L7 HydrophobicContact CB-CD2 3.84Å; F4-S12 WeakPolarHBondContact O-CB 3.39Å; F4-L16 HydrophobicContact CD1-CB 4.14Å; F4-L16 HydrophobicContact CD1-CD1 4.07Å; F4-L16 HydrophobicContact CD2-CD1 3.96Å; F4-L16 HydrophobicContact CE1-CD1 3.83Å; F4-L16 HydrophobicContact CE2-CD1 3.72Å; F4-L16 HydrophobicContact CG-CB 4.39Å; F4-L16 HydrophobicContact CG-CD1 4.14Å; F4-L16 HydrophobicContact CZ-CD1 3.64Å; F4-Y19 AromaticContact CE1-CD1 3.92Å; F4-Y19 HydrophobicContact CE1-CD1 3.92Å; F4-Y19 HydrophobicContact CE1-CD2 4.16Å; F4-Y19 AromaticContact CE1-CG 3.66Å; F4-Y19 HydrophobicContact CE1-CG 3.66Å; F4-Y19 AromaticContact CZ-CD1 3.58Å; F4-Y19 HydrophobicContact CZ-CD1 3.58Å; F4-Y19 HydrophobicContact CZ-CD2 4.34Å; F4-Y19 AromaticContact CZ-CE1 3.91Å; F4-Y19 HydrophobicContact CZ-CE1 3.91Å; F4-Y19 AromaticContact CZ-CG 3.81Å; F4-Y19 HydrophobicContact CZ-CG 3.81Å; F4-I26 HydrophobicContact CE2-CD1 3.94Å; F4-I26 HydrophobicContact CE2-CG2 3.94Å; F4-I26 HydrophobicContact CZ-CD1 4.25Å
5G79.5Confident78.8Confident40 Ų4081.3 Ų81.341%0.41244%0.439SS..  trans75.3-155.4-170.100000112.8D3 L7D3-G5 PolarHBondContact O-N 3.01Å; D3-G5 WeakPolarHBondContact OD1-CA 3.4Å; D3-G5 PolarHBondContact OD1-N 2.89Å; G5-L7 PolarHBondContact O-N 3.47Å
6D78.2Confident79.4Confident100 Ų10076.3 Ų76.354%0.53541%0.412SS..  trans-73.2108.9-178.1-179.9-98.2000111.8K8 T9 S12D6-K8 PolarHBondContact O-N 3.08Å; D6-K8 VanDerWaalsContact OD1-CB 3.22Å; D6-K8 WeakPolarHBondContact OD1-CB 3.3Å; D6-K8 PolarHBondContact OD1-N 3.32Å; D6-K8 VanDerWaalsContact OD1-N 3.16Å; D6-T9 PolarHBondContact O-N 3.19Å; D6-T9 VanDerWaalsContact O-N 3.13Å; D6-T9 PolarHBondContact OD1-OG1 3.27Å; D6-S12 VanDerWaalsContact O-CB 3.29Å; D6-S12 WeakPolarHBondContact O-CB 3.42Å; D6-S12 PolarHBondContact O-OG 3.12Å
7L76.9Confident80Confident19 Ų1973.4 Ų73.410%0.09940%0.397CS..THydrogen-bonded Turntrans-718.4-175.8-61171.8000114.6F4 G5 L16 T38 A41 L42F4-L7 HydrophobicContact CB-CD2 3.84Å; G5-L7 PolarHBondContact O-N 3.47Å; L7-L16 HydrophobicContact CD2-CD2 4.06Å; L7-T38 HydrophobicContact CD1-CG2 4.41Å; L7-A41 HydrophobicContact CD1-CB 3.87Å; L7-L42 HydrophobicContact CB-CD1 3.56Å; L7-L42 HydrophobicContact CD1-CD1 3.51Å; L7-L42 HydrophobicContact CD2-CD1 4.18Å; L7-L42 HydrophobicContact CG-CD1 3.93Å
8K77.1Confident80.6Confident117 Ų11775.8 Ų75.851%0.50941%0.409SS..THydrogen-bonded Turntrans-91.3-11.4169.8-49.6-61.4-171.8-177.40112.5D6 A41 E43D6-K8 PolarHBondContact O-N 3.08Å; D6-K8 VanDerWaalsContact OD1-CB 3.22Å; D6-K8 WeakPolarHBondContact OD1-CB 3.3Å; D6-K8 PolarHBondContact OD1-N 3.32Å; D6-K8 VanDerWaalsContact OD1-N 3.16Å; K8-A41 PolarHBondContact NZ-O 2.97Å; K8-E43 VanDerWaalsContact NZ-CD 3.33Å; K8-E43 IonicContact NZ-OE2 2.69Å; K8-E43 PolarHBondContact NZ-OE2 3.21Å
9T81.1Confident81.1Confident70 Ų7073.2 Ų73.243%0.42939%0.393SS..SBendtrans-90.6138.2-178.7-54.50000111.8D6 S11 S12 L13D6-T9 PolarHBondContact O-N 3.19Å; D6-T9 VanDerWaalsContact O-N 3.13Å; D6-T9 PolarHBondContact OD1-OG1 3.27Å; T9-S11 PolarHBondContact O-N 2.75Å; T9-S11 VanDerWaalsContact O-N 3.14Å; T9-S12 PolarHBondContact O-N 2.96Å; T9-S12 VanDerWaalsContact O-N 3.16Å; T9-S12 PolarHBondContact O-OG 2.99Å; T9-L13 PolarHBondContact O-N 3.14Å
10A80.9Confident81.6Confident67 Ų6769.5 Ų69.555%0.55437%0.373SS*.Hα-helixtrans-57.1-33.1177.700000113.4K14A10-K14 VanDerWaalsContact O-CG 3.24Å; A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.04Å
11S84.5Confident82Confident79 Ų7971.5 Ų71.555%0.55238%0.383SS*.Hα-helixtrans-68-36.2178.7-54.70000113.8T9 K15T9-S11 PolarHBondContact O-N 2.75Å; T9-S11 VanDerWaalsContact O-N 3.14Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 3.33Å
12S83.9Confident83.6Confident7 Ų767.3 Ų67.35%0.04937%0.369CS..Hα-helixtrans-76-3717754.70000110.9F4 D6 T9 K15 L16F4-S12 WeakPolarHBondContact O-CB 3.39Å; D6-S12 VanDerWaalsContact O-CB 3.29Å; D6-S12 WeakPolarHBondContact O-CB 3.42Å; D6-S12 PolarHBondContact O-OG 3.12Å; T9-S12 PolarHBondContact O-N 2.96Å; T9-S12 VanDerWaalsContact O-N 3.16Å; T9-S12 PolarHBondContact O-OG 2.99Å; S12-K15 PolarHBondContact O-N 2.79Å; S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 PolarHBondContact O-N 3.46Å
13L85.9Confident84.5Confident10 Ų1066.8 Ų66.85%0.05236%0.362CS..Hα-helixtrans-61.1-43.7171.7-66.8175.8000111.5T9 K15 L16 D17 L42 F50 I53T9-L13 PolarHBondContact O-N 3.14Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 2.89Å; L13-L16 PolarHBondContact O-N 2.96Å; L13-D17 WeakPolarHBondContact O-CB 3.45Å; L13-D17 PolarHBondContact O-N 3.31Å; L13-L42 HydrophobicContact CD2-CD1 4.22Å; L13-F50 HydrophobicContact CB-CD2 4.02Å; L13-F50 HydrophobicContact CB-CE1 4.46Å; L13-F50 HydrophobicContact CB-CE2 3.5Å; L13-F50 HydrophobicContact CB-CZ 3.75Å; L13-F50 HydrophobicContact CD1-CD2 4.34Å; L13-F50 HydrophobicContact CD1-CE2 3.83Å; L13-F50 HydrophobicContact CG-CE2 4.28Å; L13-I53 HydrophobicContact CB-CD1 4.31Å; L13-I53 HydrophobicContact CD2-CD1 4.13Å; L13-I53 WeakPolarHBondContact O-CD1 3.15Å
14K88Confident85.2Confident144 Ų14464.1 Ų64.163%0.62635%0.353SS*.Hα-helixtrans-57.1-44.9173.1-73.9-108.7-177.1165.10112.6A10 D17 D18 F50A10-K14 VanDerWaalsContact O-CG 3.24Å; A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.04Å; K14-D17 PolarHBondContact O-N 3.42Å; K14-D18 PolarHBondContact O-N 2.83Å; K14-D18 VanDerWaalsContact O-N 3.09Å; K14-F50 HydrophobicContact CD-CE1 4.29Å; K14-F50 HydrophobicContact CG-CE1 3.9Å; K14-F50 HydrophobicContact CG-CZ 4.11Å
15K89.3Confident85.8Confident141 Ų14164.7 Ų64.761%0.61336%0.355SS*.Hα-helixtrans-64.3-40.1177.8-73.1176.6-176.3177.30112.2S11 S12 L13 Y19S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 3.33Å; S12-K15 PolarHBondContact O-N 2.79Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 2.89Å; K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.26Å; K15-Y19 PolarHBondContact O-N 2.62Å
16L88.9Confident86.2Confident0 Ų063 Ų630%034%0.337CS..Hα-helixtrans-67.7-41177.717962.1000111.5F4 L7 S12 L13 Y19 L20 I26 L42 I53F4-L16 HydrophobicContact CD1-CB 4.14Å; F4-L16 HydrophobicContact CD1-CD1 4.07Å; F4-L16 HydrophobicContact CD2-CD1 3.96Å; F4-L16 HydrophobicContact CE1-CD1 3.83Å; F4-L16 HydrophobicContact CE2-CD1 3.72Å; F4-L16 HydrophobicContact CG-CB 4.39Å; F4-L16 HydrophobicContact CG-CD1 4.14Å; F4-L16 HydrophobicContact CZ-CD1 3.64Å; L7-L16 HydrophobicContact CD2-CD2 4.06Å; S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 2.96Å; L16-Y19 PolarHBondContact O-N 2.83Å; L16-L20 HydrophobicContact CD1-CD1 4.01Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 3.99Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 2.93Å; L16-I26 HydrophobicContact CD1-CD1 3.58Å; L16-L42 HydrophobicContact CD2-CD1 4.33Å; L16-L42 HydrophobicContact CD2-CD2 4.17Å; L16-I53 HydrophobicContact CB-CD1 4.06Å; L16-I53 HydrophobicContact CD2-CD1 3.99Å; L16-I53 HydrophobicContact CD2-CG1 4.24Å; L16-I53 HydrophobicContact CG-CD1 4.02Å; L16-I53 HydrophobicContact CG-CG1 4.09Å
17D90.1Very high86.6Confident28 Ų2859.6 Ų59.615%0.1532%0.321CS..Hα-helixtrans-64-44.9178-16881.3000111.9L13 K14 Y19 L20 L21 F50 N52 I53L13-D17 WeakPolarHBondContact O-CB 3.45Å; L13-D17 PolarHBondContact O-N 3.31Å; K14-D17 PolarHBondContact O-N 3.42Å; D17-Y19 VanDerWaalsContact C-N 3.34Å; D17-Y19 PolarHBondContact O-N 3.34Å; D17-L20 CarbonylContact O-C 3.59Å; D17-L20 PolarHBondContact O-N 2.91Å; D17-L21 PolarHBondContact O-N 3.1Å; D17-L21 VanDerWaalsContact O-N 3.1Å; D17-F50 HydrophobicContact CB-CB 4.28Å; D17-F50 HydrophobicContact CB-CD1 3.72Å; D17-F50 HydrophobicContact CB-CG 4.32Å; D17-F50 WeakPolarHBondContact OD1-CB 3.13Å; D17-N52 PolarHBondContact O-ND2 3.22Å; D17-N52 WeakPolarHBondContact OD1-CA 3.5Å; D17-N52 VanDerWaalsContact OD1-CB 3.24Å; D17-N52 WeakPolarHBondContact OD1-CB 3.37Å; D17-N52 PolarHBondContact OD1-N 2.73Å; D17-N52 PolarHBondContact OD2-ND2 2.78Å; D17-I53 HydrophobicContact CB-CD1 3.92Å; D17-I53 HydrophobicContact CB-CG1 3.88Å; D17-I53 PolarHBondContact OD1-N 3.38Å
18D90.6Very high86.9Confident116 Ų11660.8 Ų60.862%0.6234%0.337SS*.Hα-helixtrans-63-39.8175.1-168.8-103.1000111.9K14 L20 L21K14-D18 PolarHBondContact O-N 2.83Å; K14-D18 VanDerWaalsContact O-N 3.09Å; D18-L20 PolarHBondContact O-N 3.4Å; D18-L21 VanDerWaalsContact O-CB 3.22Å; D18-L21 WeakPolarHBondContact O-CB 3.38Å; D18-L21 PolarHBondContact O-N 3.23Å
19Y89.6Confident87.3Confident26 Ų2664.2 Ų64.210%0.10235%0.352CS..Hα-helixtrans-63-41.6174.8-178-93.5000112.6I2 F4 K15 L16 D17 L21 T22 R23 I26I2-Y19 HydrophobicContact CD1-CE2 3.58Å; I2-Y19 WeakPolarHBondContact CD1-OH 3.38Å; I2-Y19 HydrophobicContact CG2-CE2 4.4Å; F4-Y19 AromaticContact CE1-CD1 3.92Å; F4-Y19 HydrophobicContact CE1-CD1 3.92Å; F4-Y19 HydrophobicContact CE1-CD2 4.16Å; F4-Y19 AromaticContact CE1-CG 3.66Å; F4-Y19 HydrophobicContact CE1-CG 3.66Å; F4-Y19 AromaticContact CZ-CD1 3.58Å; F4-Y19 HydrophobicContact CZ-CD1 3.58Å; F4-Y19 HydrophobicContact CZ-CD2 4.34Å; F4-Y19 AromaticContact CZ-CE1 3.91Å; F4-Y19 HydrophobicContact CZ-CE1 3.91Å; F4-Y19 AromaticContact CZ-CG 3.81Å; F4-Y19 HydrophobicContact CZ-CG 3.81Å; K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.26Å; K15-Y19 PolarHBondContact O-N 2.62Å; L16-Y19 PolarHBondContact O-N 2.83Å; D17-Y19 VanDerWaalsContact C-N 3.34Å; D17-Y19 PolarHBondContact O-N 3.34Å; Y19-L21 PolarHBondContact O-N 3.46Å; Y19-T22 PolarHBondContact O-OG1 2.95Å; Y19-R23 VanDerWaalsContact CD2-NH1 3.29Å; Y19-R23 HydrophobicContact CE1-CB 4.26Å; Y19-R23 VanDerWaalsContact CE2-CD 3.47Å; Y19-R23 VanDerWaalsContact CE2-CZ 3.41Å; Y19-R23 PolarHBondContact O-N 3.43Å; Y19-R23 WeakPolarHBondContact OH-CD 3.37Å; Y19-R23 PolarHBondContact OH-NE 2.86Å; Y19-I26 PolarHBondContact OH-O 3.05Å
20L90Very high87.6Confident0 Ų067.4 Ų67.40%036%0.363CS..Hα-helixtrans-76.6-4.4178.1-70.3172.6000113.5L16 D17 D18 R23 I26 N52 I53 R55 W56L16-L20 HydrophobicContact CD1-CD1 4.01Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 3.99Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 2.93Å; D17-L20 CarbonylContact O-C 3.59Å; D17-L20 PolarHBondContact O-N 2.91Å; D18-L20 PolarHBondContact O-N 3.4Å; L20-R23 CarbonylContact C-O 3.56Å; L20-R23 WeakPolarHBondContact CA-O 3.37Å; L20-R23 VanDerWaalsContact O-O 3.04Å; L20-I26 HydrophobicContact CD2-CD1 4.31Å; L20-N52 HydrophobicContact CB-CB 3.91Å; L20-I53 HydrophobicContact CD1-CG1 4.04Å; L20-R55 PolarHBondContact O-NH2 2.79Å; L20-W56 HydrophobicContact CD1-CB 3.77Å; L20-W56 HydrophobicContact CD1-CD2 4.09Å; L20-W56 HydrophobicContact CD1-CE3 4.27Å; L20-W56 HydrophobicContact CD1-CG 3.89Å; L20-W56 HydrophobicContact CD2-CB 4.2Å; L20-W56 HydrophobicContact CD2-CG 3.92Å
21L90.1Very high88Confident111 Ų11165.2 Ų65.258%0.58134%0.343SS*.Hα-helixtrans-68.1-42.6172.1-171150.5000110.7D17 D18 Y19D17-L21 PolarHBondContact O-N 3.1Å; D17-L21 VanDerWaalsContact O-N 3.1Å; D18-L21 VanDerWaalsContact O-CB 3.22Å; D18-L21 WeakPolarHBondContact O-CB 3.38Å; D18-L21 PolarHBondContact O-N 3.23Å; Y19-L21 PolarHBondContact O-N 3.46Å
22T88.9Confident88.2Confident104 Ų10462 Ų6264%0.63832%0.319SS*.Hα-helixtrans-97.2-12.2-177.454.70000113.5Y19Y19-T22 PolarHBondContact O-OG1 2.95Å
23R88Confident88.4Confident68 Ų6865.1 Ų65.126%0.25733%0.333SS..  trans-130.4142.5-173.8-64.6176.4179.494.4-5.7112.1Y19 L20 N78Y19-R23 VanDerWaalsContact CD2-NH1 3.29Å; Y19-R23 HydrophobicContact CE1-CB 4.26Å; Y19-R23 VanDerWaalsContact CE2-CD 3.47Å; Y19-R23 VanDerWaalsContact CE2-CZ 3.41Å; Y19-R23 PolarHBondContact O-N 3.43Å; Y19-R23 WeakPolarHBondContact OH-CD 3.37Å; Y19-R23 PolarHBondContact OH-NE 2.86Å; L20-R23 CarbonylContact C-O 3.56Å; L20-R23 WeakPolarHBondContact CA-O 3.37Å; L20-R23 VanDerWaalsContact O-O 3.04Å; R23-N78 PolarHBondContact NH2-OD1 3.13Å
24S89.3Confident88.5Confident78 Ų7865.2 Ų65.255%0.54534%0.336SS..SBendtrans-82.9-25.2178.4-52.30000113.5
25Y90.7Very high88.6Confident33 Ų3358.4 Ų58.413%0.12931%0.306CS..SBendtrans-136.4163.1-175.1-58.3-72.9000110.6S27 F29 P31 D35 H59 I60Y25-S27 VanDerWaalsContact C-N 3.33Å; Y25-S27 PolarHBondContact O-N 3Å; Y25-F29 WeakPolarHBondContact CE2-O 3.5Å; Y25-P31 HydrophobicContact CD1-CB 4.01Å; Y25-P31 HydrophobicContact CE1-CB 3.74Å; Y25-P31 HydrophobicContact CE1-CG 4.22Å; Y25-D35 WeakPolarHBondContact CA-OD1 3.15Å; Y25-H59 AromaticContact CE1-CD2 3.71Å; Y25-H59 AromaticContact CE1-NE2 3.57Å; Y25-H59 AromaticContact CZ-NE2 3.63Å; Y25-H59 PolarHBondContact OH-NE2 2.81Å; Y25-I60 HydrophobicContact CD1-CD1 4.19Å; Y25-I60 HydrophobicContact CE1-CD1 4.19Å
26I88.9Confident88.6Confident6 Ų652.6 Ų52.63%0.03128%0.282CS..SBendtrans-64.7-39.6178-60.5-56.5000111.3F4 L16 Y19 L20 A34 D35 T38 W56F4-I26 HydrophobicContact CE2-CD1 3.94Å; F4-I26 HydrophobicContact CE2-CG2 3.94Å; F4-I26 HydrophobicContact CZ-CD1 4.25Å; L16-I26 HydrophobicContact CD1-CD1 3.58Å; Y19-I26 PolarHBondContact OH-O 3.05Å; L20-I26 HydrophobicContact CD2-CD1 4.31Å; I26-A34 HydrophobicContact CB-CB 4.23Å; I26-A34 HydrophobicContact CG2-CB 3.89Å; I26-D35 WeakPolarHBondContact CG1-OD1 3.3Å; I26-D35 PolarHBondContact N-OD1 3.47Å; I26-T38 HydrophobicContact CD1-CG2 4.25Å; I26-T38 HydrophobicContact CG1-CG2 4.05Å; I26-T38 WeakPolarHBondContact CG1-OG1 3.37Å; I26-T38 HydrophobicContact CG2-CG2 4.38Å; I26-W56 HydrophobicContact CD1-CZ2 4.13Å; I26-W56 HydrophobicContact CG1-CZ2 3.82Å
27S84.7Confident88.6Confident28 Ų2855.6 Ų55.620%0.19630%0.304CS..SBendtrans-134.3129.3179-167.90000111.1Y25Y25-S27 VanDerWaalsContact C-N 3.33Å; Y25-S27 PolarHBondContact O-N 3Å
28G83.8Confident88.5Confident43 Ų4355 Ų5544%0.44330%0.301SS..THydrogen-bonded Turntrans67.5-154.3175.800000114.8
29F86.4Confident88.4Confident190 Ų19050.4 Ų50.483%0.83328%0.275SS*.THydrogen-bonded Turntrans-110.37.2-176.3-58.7-78.1000113.4Y25Y25-F29 WeakPolarHBondContact CE2-O 3.5Å
30Q87.6Confident88.2Confident137 Ų13755.2 Ų55.264%0.6430%0.302SS*.SBendtrans-135.4154.2-178.7-70.6-174.4-44.700109.6T32Q30-T32 WeakPolarHBondContact O-CG2 3.5Å; Q30-T32 PolarHBondContact O-N 3.3Å
31P88.4Confident88Confident21 Ų2157.4 Ų57.414%0.13632%0.32CS..  trans-64.7129.117726.9-33.4000110.4Y25 I60 F63 F70 P71Y25-P31 HydrophobicContact CD1-CB 4.01Å; Y25-P31 HydrophobicContact CE1-CB 3.74Å; Y25-P31 HydrophobicContact CE1-CG 4.22Å; P31-I60 HydrophobicContact CB-CD1 4.38Å; P31-F63 HydrophobicContact CG-CE1 4.5Å; P31-F63 HydrophobicContact CG-CZ 4.25Å; P31-F70 HydrophobicContact CB-CD1 4.35Å; P31-F70 HydrophobicContact CB-CD2 3.92Å; P31-F70 HydrophobicContact CB-CE1 4.07Å; P31-F70 HydrophobicContact CB-CE2 3.64Å; P31-F70 HydrophobicContact CB-CG 4.28Å; P31-F70 HydrophobicContact CB-CZ 3.71Å; P31-F70 HydrophobicContact CG-CD1 4.26Å; P31-F70 HydrophobicContact CG-CE1 3.93Å; P31-F70 HydrophobicContact CG-CE2 4.39Å; P31-F70 HydrophobicContact CG-CZ 3.99Å; P31-P71 WeakPolarHBondContact O-CD 3.36Å
32T89.9Confident87.7Confident10 Ų1052.3 Ų52.36%0.06129%0.293CS..  trans-122.2173.4-177.1650000111.7Q30 A34 D35 V36 P71Q30-T32 WeakPolarHBondContact O-CG2 3.5Å; Q30-T32 PolarHBondContact O-N 3.3Å; T32-A34 PolarHBondContact O-N 2.69Å; T32-A34 VanDerWaalsContact O-N 3.16Å; T32-A34 PolarHBondContact OG1-N 3.4Å; T32-D35 PolarHBondContact N-OD2 3.15Å; T32-D35 WeakPolarHBondContact O-CB 3.36Å; T32-D35 PolarHBondContact O-N 3.22Å; T32-D35 PolarHBondContact OG1-OD2 3.13Å; T32-V36 PolarHBondContact O-N 2.88Å; T32-P71 WeakPolarHBondContact CA-O 3.46Å
33Q86.8Confident87Confident73 Ų7352.7 Ų52.734%0.34129%0.288SS..Hα-helixtrans-58.8-22.5171.1-68.3-64.6-8.700113.7D35 V36 S37 F70 P71Q33-D35 VanDerWaalsContact C-N 3.32Å; Q33-V36 PolarHBondContact O-N 2.79Å; Q33-S37 PolarHBondContact O-N 2.89Å; Q33-S37 PolarHBondContact O-OG 3.46Å; Q33-F70 PolarHBondContact NE2-O 3.25Å; Q33-P71 WeakPolarHBondContact CG-O 3.27Å; Q33-P71 PolarHBondContact N-O 2.99Å
34A88.1Confident86.2Confident13 Ų1357.1 Ų57.111%0.10731%0.309CS..Hα-helixtrans-67.6-33173.500000112.1I26 T32 V36 S37 T38 A73I26-A34 HydrophobicContact CB-CB 4.23Å; I26-A34 HydrophobicContact CG2-CB 3.89Å; T32-A34 PolarHBondContact O-N 2.69Å; T32-A34 VanDerWaalsContact O-N 3.16Å; T32-A34 PolarHBondContact OG1-N 3.4Å; A34-V36 VanDerWaalsContact C-N 3.31Å; A34-S37 PolarHBondContact O-OG 3.08Å; A34-T38 WeakPolarHBondContact O-CB 3.39Å; A34-T38 WeakPolarHBondContact O-CG2 3.44Å; A34-T38 PolarHBondContact O-N 2.81Å; A34-T38 PolarHBondContact O-OG1 3.29Å; A34-A73 HydrophobicContact CB-CB 4.1Å
35D91Very high85.1Confident0 Ų058 Ų580%032%0.315CS..Hα-helixtrans-70.1-32.5173.7-60-90.8000111.3Y25 I26 T32 Q33 T38 F39 W56 I60Y25-D35 WeakPolarHBondContact CA-OD1 3.15Å; I26-D35 WeakPolarHBondContact CG1-OD1 3.3Å; I26-D35 PolarHBondContact N-OD1 3.47Å; T32-D35 PolarHBondContact N-OD2 3.15Å; T32-D35 WeakPolarHBondContact O-CB 3.36Å; T32-D35 PolarHBondContact O-N 3.22Å; T32-D35 PolarHBondContact OG1-OD2 3.13Å; Q33-D35 VanDerWaalsContact C-N 3.32Å; D35-T38 WeakPolarHBondContact CA-OG1 3.36Å; D35-T38 PolarHBondContact O-OG1 2.79Å; D35-T38 VanDerWaalsContact O-OG1 3.08Å; D35-F39 WeakPolarHBondContact O-CB 3.34Å; D35-F39 PolarHBondContact O-N 2.69Å; D35-W56 HydrophobicContact CB-CZ2 4.02Å; D35-W56 PolarHBondContact OD1-NE1 2.98Å; D35-I60 HydrophobicContact CB-CD1 3.87Å; D35-I60 HydrophobicContact CB-CG1 4.32Å
36V89.3Confident84Confident19 Ų1958.2 Ų58.212%0.11532%0.321CS..Hα-helixtrans-69.3-46.1177.6-173.60000111T32 Q33 A34 F39 I40 R67 F70T32-V36 PolarHBondContact O-N 2.88Å; Q33-V36 PolarHBondContact O-N 2.79Å; A34-V36 VanDerWaalsContact C-N 3.31Å; V36-F39 PolarHBondContact O-N 2.61Å; V36-I40 HydrophobicContact CG1-CD1 3.95Å; V36-I40 VanDerWaalsContact O-CG1 3.31Å; V36-I40 WeakPolarHBondContact O-CG1 3.36Å; V36-I40 PolarHBondContact O-N 3.06Å; V36-R67 HydrophobicContact CG2-CB 4.15Å; V36-F70 HydrophobicContact CG2-CD2 3.53Å; V36-F70 HydrophobicContact CG2-CE2 4.12Å; V36-F70 HydrophobicContact CG2-CG 4.47Å
37S87.6Confident83Confident64 Ų6458.2 Ų58.245%0.44832%0.321SS..Hα-helixtrans-64.6-45.1179.658.30000112.4Q33 A34 F39 I40 A41Q33-S37 PolarHBondContact O-N 2.89Å; Q33-S37 PolarHBondContact O-OG 3.46Å; A34-S37 PolarHBondContact O-OG 3.08Å; S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 3.27Å; S37-I40 PolarHBondContact O-N 2.95Å; S37-A41 WeakPolarHBondContact O-CB 3.43Å; S37-A41 PolarHBondContact O-N 3.46Å
38T88.4Confident82.4Confident14 Ų1461.7 Ų61.79%0.08635%0.345CS..Hα-helixtrans-63.3-38.7176.346.80000112L7 I26 A34 D35 A41 L42 W56L7-T38 HydrophobicContact CD1-CG2 4.41Å; I26-T38 HydrophobicContact CD1-CG2 4.25Å; I26-T38 HydrophobicContact CG1-CG2 4.05Å; I26-T38 WeakPolarHBondContact CG1-OG1 3.37Å; I26-T38 HydrophobicContact CG2-CG2 4.38Å; A34-T38 WeakPolarHBondContact O-CB 3.39Å; A34-T38 WeakPolarHBondContact O-CG2 3.44Å; A34-T38 PolarHBondContact O-N 2.81Å; A34-T38 PolarHBondContact O-OG1 3.29Å; D35-T38 WeakPolarHBondContact CA-OG1 3.36Å; D35-T38 PolarHBondContact O-OG1 2.79Å; D35-T38 VanDerWaalsContact O-OG1 3.08Å; T38-A41 PolarHBondContact O-N 2.92Å; T38-L42 PolarHBondContact O-N 2.78Å; T38-W56 WeakPolarHBondContact OG1-CH2 3.2Å; T38-W56 VanDerWaalsContact OG1-CZ2 3.23Å; T38-W56 WeakPolarHBondContact OG1-CZ2 3.25Å
39F88.6Confident82.2Confident20 Ų2066.3 Ų66.39%0.08836%0.36CS..Hα-helixtrans-68.3-38.3177.5175.9-78.4000112.4D35 V36 S37 A41 L42 W56 Y57 I60 D61 R67D35-F39 WeakPolarHBondContact O-CB 3.34Å; D35-F39 PolarHBondContact O-N 2.69Å; V36-F39 PolarHBondContact O-N 2.61Å; S37-F39 VanDerWaalsContact C-N 3.33Å; S37-F39 PolarHBondContact O-N 3.27Å; F39-A41 VanDerWaalsContact C-N 3.31Å; F39-L42 PolarHBondContact O-N 3.44Å; F39-W56 HydrophobicContact CB-CH2 3.94Å; F39-Y57 HydrophobicContact CD1-CE2 4.21Å; F39-Y57 HydrophobicContact CD2-CD1 4.36Å; F39-Y57 AromaticContact CD2-CD2 3.38Å; F39-Y57 HydrophobicContact CD2-CD2 3.38Å; F39-Y57 HydrophobicContact CD2-CE1 4.36Å; F39-Y57 AromaticContact CD2-CE2 3.39Å; F39-Y57 HydrophobicContact CD2-CE2 3.39Å; F39-Y57 AromaticContact CD2-CG 3.9Å; F39-Y57 HydrophobicContact CD2-CG 3.9Å; F39-Y57 AromaticContact CD2-CZ 3.91Å; F39-Y57 HydrophobicContact CE1-CE2 4.18Å; F39-Y57 AromaticContact CE2-CD1 3.7Å; F39-Y57 HydrophobicContact CE2-CD1 3.7Å; F39-Y57 AromaticContact CE2-CD2 3.54Å; F39-Y57 HydrophobicContact CE2-CD2 3.54Å; F39-Y57 AromaticContact CE2-CE1 3.51Å; F39-Y57 HydrophobicContact CE2-CE1 3.51Å; F39-Y57 AromaticContact CE2-CE2 3.36Å; F39-Y57 HydrophobicContact CE2-CE2 3.36Å; F39-Y57 AromaticContact CE2-CG 3.72Å; F39-Y57 HydrophobicContact CE2-CG 3.72Å; F39-Y57 AromaticContact CE2-CZ 3.35Å; F39-Y57 WeakPolarHBondContact CE2-O 3.02Å; F39-Y57 HydrophobicContact CG-CD2 4.14Å; F39-Y57 AromaticContact CG-CE2 3.84Å; F39-Y57 HydrophobicContact CG-CE2 3.84Å; F39-Y57 HydrophobicContact CZ-CD1 4.37Å; F39-Y57 HydrophobicContact CZ-CD2 4.4Å; F39-Y57 AromaticContact CZ-CE1 3.73Å; F39-Y57 HydrophobicContact CZ-CE1 3.73Å; F39-Y57 AromaticContact CZ-CE2 3.78Å; F39-Y57 HydrophobicContact CZ-CE2 3.78Å; F39-Y57 AromaticContact CZ-CZ 3.4Å; F39-Y57 VanDerWaalsContact CZ-CZ 3.4Å; F39-I60 HydrophobicContact CB-CG2 4.01Å; F39-I60 HydrophobicContact CD2-CB 3.95Å; F39-I60 HydrophobicContact CD2-CG2 3.64Å; F39-I60 HydrophobicContact CE2-CB 4.47Å; F39-I60 HydrophobicContact CE2-CG2 4.32Å; F39-I60 HydrophobicContact CG-CG2 3.99Å; F39-D61 HydrophobicContact CE2-CB 3.82Å; F39-D61 HydrophobicContact CZ-CB 3.98Å; F39-D61 WeakPolarHBondContact CZ-OD1 3.21Å; F39-R67 VanDerWaalsContact CD1-CZ 3.44Å
40I86Confident82.1Confident128 Ų12858.6 Ų58.666%0.65633%0.326SS*.Hα-helixtrans-66.4-37.9176.2-69166.4000110.3V36 S37 L42V36-I40 HydrophobicContact CG1-CD1 3.95Å; V36-I40 VanDerWaalsContact O-CG1 3.31Å; V36-I40 WeakPolarHBondContact O-CG1 3.36Å; V36-I40 PolarHBondContact O-N 3.06Å; S37-I40 PolarHBondContact O-N 2.95Å; I40-L42 VanDerWaalsContact C-N 3.33Å
41A85.7Confident82.2Confident46 Ų4654.7 Ų54.738%0.3832%0.323SS..Hα-helixtrans-69.5-30.2177.700000112.9L7 K8 S37 T38 F39L7-A41 HydrophobicContact CD1-CB 3.87Å; K8-A41 PolarHBondContact NZ-O 2.97Å; S37-A41 WeakPolarHBondContact O-CB 3.43Å; S37-A41 PolarHBondContact O-N 3.46Å; T38-A41 PolarHBondContact O-N 2.92Å; F39-A41 VanDerWaalsContact C-N 3.31Å
42L83.8Confident82.3Confident4 Ų455.4 Ų55.42%0.02133%0.326CS..SBendtrans-79.7121.9174.1-107.561.8000111.8L7 L13 L16 T38 F39 I40 L47 I53 W56 Y57L7-L42 HydrophobicContact CB-CD1 3.56Å; L7-L42 HydrophobicContact CD1-CD1 3.51Å; L7-L42 HydrophobicContact CD2-CD1 4.18Å; L7-L42 HydrophobicContact CG-CD1 3.93Å; L13-L42 HydrophobicContact CD2-CD1 4.22Å; L16-L42 HydrophobicContact CD2-CD1 4.33Å; L16-L42 HydrophobicContact CD2-CD2 4.17Å; T38-L42 PolarHBondContact O-N 2.78Å; F39-L42 PolarHBondContact O-N 3.44Å; I40-L42 VanDerWaalsContact C-N 3.33Å; L42-L47 HydrophobicContact CB-CD2 4.19Å; L42-L47 HydrophobicContact CD2-CD2 3.34Å; L42-L47 HydrophobicContact CG-CD2 3.57Å; L42-I53 HydrophobicContact CD2-CG2 3.38Å; L42-W56 HydrophobicContact CD2-CZ3 4.02Å; L42-Y57 HydrophobicContact CB-CD2 4.25Å; L42-Y57 HydrophobicContact CB-CE2 4.08Å; L42-Y57 HydrophobicContact CD2-CD2 4.49Å
43E74.7Confident82.3Confident112 Ų11255 Ų5552%0.52332%0.323SS..  trans-88.5134.1168.6-70.2175.9121.300109K8 S45 S46K8-E43 VanDerWaalsContact NZ-CD 3.33Å; K8-E43 IonicContact NZ-OE2 2.69Å; K8-E43 PolarHBondContact NZ-OE2 3.21Å; E43-S45 PolarHBondContact O-N 3.36Å; E43-S46 PolarHBondContact O-N 3.43Å; E43-S46 PolarHBondContact O-OG 2.89Å; E43-S46 VanDerWaalsContact O-OG 3.09Å
44K71.1Confident82.5Confident161 Ų16152.1 Ų52.170%0.731%0.311SS*.G310 helixtrans-49.8-25.5-177.9-176.9175.6178175.20114.2Y57K44-Y57 HydrophobicContact CB-CE1 4.24Å; K44-Y57 HydrophobicContact CG-CE1 4.37Å
45S66.3Low82.7Confident97 Ų9756.7 Ų56.768%0.67833%0.325SS*.G310 helixtrans-70.9-24-17949.70000114.7E43E43-S45 PolarHBondContact O-N 3.36Å
46S66Low82.8Confident37 Ų3756.8 Ų56.826%0.25933%0.326SS..G310 helixtrans-93.47.7-175.560.60000114.6E43E43-S46 PolarHBondContact O-N 3.43Å; E43-S46 PolarHBondContact O-OG 2.89Å; E43-S46 VanDerWaalsContact O-OG 3.09Å
47L69.1Low82.8Confident5 Ų557.3 Ų57.33%0.02633%0.326CS..  trans-104.6-14-164.7-44.9-177.7000114.4L42 D49 F50 I53 S54 Y57L42-L47 HydrophobicContact CB-CD2 4.19Å; L42-L47 HydrophobicContact CD2-CD2 3.34Å; L42-L47 HydrophobicContact CG-CD2 3.57Å; L47-D49 PolarHBondContact O-N 3.43Å; L47-F50 PolarHBondContact O-N 2.84Å; L47-F50 VanDerWaalsContact O-N 3.09Å; L47-I53 HydrophobicContact CD2-CG2 3.68Å; L47-S54 PolarHBondContact O-OG 3.34Å; L47-Y57 HydrophobicContact CD1-CD1 3.72Å; L47-Y57 HydrophobicContact CD1-CD2 3.42Å; L47-Y57 VanDerWaalsContact CD1-CD2 3.42Å; L47-Y57 HydrophobicContact CD1-CE1 4.13Å; L47-Y57 HydrophobicContact CD1-CE2 3.84Å; L47-Y57 HydrophobicContact CD1-CG 3.33Å
48S71.6Confident83Confident101 Ų10162.6 Ų62.671%0.70634%0.336SS*.THydrogen-bonded Turntrans-63.5-26.1-170.737.90000113.9
49D79.7Confident83.1Confident140 Ų14065.4 Ų65.475%0.74935%0.348SS*.THydrogen-bonded Turntrans-82.5-15.2178.2-63.7-67000113.6L47L47-D49 PolarHBondContact O-N 3.43Å
50F85Confident83.2Confident28 Ų2864.4 Ų64.412%0.12334%0.344CS..  trans-116.9100-171.1-64.8-71.7000110.9L13 K14 D17 L47 N52 I53 S54L13-F50 HydrophobicContact CB-CD2 4.02Å; L13-F50 HydrophobicContact CB-CE1 4.46Å; L13-F50 HydrophobicContact CB-CE2 3.5Å; L13-F50 HydrophobicContact CB-CZ 3.75Å; L13-F50 HydrophobicContact CD1-CD2 4.34Å; L13-F50 HydrophobicContact CD1-CE2 3.83Å; L13-F50 HydrophobicContact CG-CE2 4.28Å; K14-F50 HydrophobicContact CD-CE1 4.29Å; K14-F50 HydrophobicContact CG-CE1 3.9Å; K14-F50 HydrophobicContact CG-CZ 4.11Å; D17-F50 HydrophobicContact CB-CB 4.28Å; D17-F50 HydrophobicContact CB-CD1 3.72Å; D17-F50 HydrophobicContact CB-CG 4.32Å; D17-F50 WeakPolarHBondContact OD1-CB 3.13Å; L47-F50 PolarHBondContact O-N 2.84Å; L47-F50 VanDerWaalsContact O-N 3.09Å; F50-N52 PolarHBondContact O-N 2.86Å; F50-I53 HydrophobicContact CB-CB 3.85Å; F50-I53 HydrophobicContact CB-CD1 3.75Å; F50-I53 HydrophobicContact CB-CG1 3.93Å; F50-I53 HydrophobicContact CD2-CD1 4.31Å; F50-I53 HydrophobicContact CG-CD1 3.95Å; F50-I53 PolarHBondContact O-N 3.46Å; F50-S54 VanDerWaalsContact O-CB 3.29Å; F50-S54 WeakPolarHBondContact O-CB 3.38Å; F50-S54 PolarHBondContact O-N 2.79Å; F50-S54 PolarHBondContact O-OG 2.86Å
51G88.7Confident83.3Confident56 Ų5662.6 Ų62.658%0.57734%0.335SS*.Hα-helixtrans-61.6-39.6-174.900000113.9R55G51-R55 WeakPolarHBondContact O-CB 3.3Å; G51-R55 PolarHBondContact O-N 3.08Å
52N90.7Very high83.6Confident36 Ų3664.6 Ų64.619%0.19335%0.346CS..Hα-helixtrans-74.6-41.2-177.8-57.8-60.3000111D17 L20 F50 R55 W56D17-N52 PolarHBondContact O-ND2 3.22Å; D17-N52 WeakPolarHBondContact OD1-CA 3.5Å; D17-N52 VanDerWaalsContact OD1-CB 3.24Å; D17-N52 WeakPolarHBondContact OD1-CB 3.37Å; D17-N52 PolarHBondContact OD1-N 2.73Å; D17-N52 PolarHBondContact OD2-ND2 2.78Å; L20-N52 HydrophobicContact CB-CB 3.91Å; F50-N52 PolarHBondContact O-N 2.86Å; N52-R55 WeakPolarHBondContact O-CB 3.38Å; N52-R55 PolarHBondContact O-N 3.41Å; N52-R55 PolarHBondContact OD1-NH1 3.25Å; N52-W56 WeakPolarHBondContact O-CB 3.42Å; N52-W56 PolarHBondContact O-N 3.32Å
53I90.7Very high83.8Confident0 Ų067.2 Ų67.20%036%0.358CS..Hα-helixtrans-62-46.2173.1-61.5-179.8000110.5L13 L16 D17 L20 L42 L47 F50 R55 W56 Y57L13-I53 HydrophobicContact CB-CD1 4.31Å; L13-I53 HydrophobicContact CD2-CD1 4.13Å; L13-I53 WeakPolarHBondContact O-CD1 3.15Å; L16-I53 HydrophobicContact CB-CD1 4.06Å; L16-I53 HydrophobicContact CD2-CD1 3.99Å; L16-I53 HydrophobicContact CD2-CG1 4.24Å; L16-I53 HydrophobicContact CG-CD1 4.02Å; L16-I53 HydrophobicContact CG-CG1 4.09Å; D17-I53 HydrophobicContact CB-CD1 3.92Å; D17-I53 HydrophobicContact CB-CG1 3.88Å; D17-I53 PolarHBondContact OD1-N 3.38Å; L20-I53 HydrophobicContact CD1-CG1 4.04Å; L42-I53 HydrophobicContact CD2-CG2 3.38Å; L47-I53 HydrophobicContact CD2-CG2 3.68Å; F50-I53 HydrophobicContact CB-CB 3.85Å; F50-I53 HydrophobicContact CB-CD1 3.75Å; F50-I53 HydrophobicContact CB-CG1 3.93Å; F50-I53 HydrophobicContact CD2-CD1 4.31Å; F50-I53 HydrophobicContact CG-CD1 3.95Å; F50-I53 PolarHBondContact O-N 3.46Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 2.87Å; I53-W56 PolarHBondContact O-N 3.1Å; I53-Y57 VanDerWaalsContact O-CB 3.26Å; I53-Y57 WeakPolarHBondContact O-CB 3.43Å; I53-Y57 PolarHBondContact O-N 2.72Å
54S90Very high84.3Confident14 Ų1464 Ų6410%0.09836%0.355CS..Hα-helixtrans-59.9-41.1176.8-84.90000112.6L47 F50 R58L47-S54 PolarHBondContact O-OG 3.34Å; F50-S54 VanDerWaalsContact O-CB 3.29Å; F50-S54 WeakPolarHBondContact O-CB 3.38Å; F50-S54 PolarHBondContact O-N 2.79Å; F50-S54 PolarHBondContact O-OG 2.86Å; S54-R58 WeakPolarHBondContact O-CG 3.2Å; S54-R58 PolarHBondContact O-N 2.96Å; S54-R58 VanDerWaalsContact O-N 3.12Å
55R91.9Very high84.9Confident108 Ų10860.1 Ų60.141%0.40835%0.353SS..Hα-helixtrans-60.5-52.6174.3-177.9-164.674.4-132.70.8110.7L20 G51 N52 I53 H59L20-R55 PolarHBondContact O-NH2 2.79Å; G51-R55 WeakPolarHBondContact O-CB 3.3Å; G51-R55 PolarHBondContact O-N 3.08Å; N52-R55 WeakPolarHBondContact O-CB 3.38Å; N52-R55 PolarHBondContact O-N 3.41Å; N52-R55 PolarHBondContact OD1-NH1 3.25Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 2.87Å; R55-H59 WeakPolarHBondContact O-CB 3.48Å; R55-H59 PolarHBondContact O-N 3.33Å
56W93.1Very high85.8Confident2 Ų259.9 Ų59.91%0.00834%0.341CS..Hα-helixtrans-62.8-43.1179.8169.284.2000112L20 I26 D35 T38 F39 L42 N52 I53 R58 H59 I60L20-W56 HydrophobicContact CD1-CB 3.77Å; L20-W56 HydrophobicContact CD1-CD2 4.09Å; L20-W56 HydrophobicContact CD1-CE3 4.27Å; L20-W56 HydrophobicContact CD1-CG 3.89Å; L20-W56 HydrophobicContact CD2-CB 4.2Å; L20-W56 HydrophobicContact CD2-CG 3.92Å; I26-W56 HydrophobicContact CD1-CZ2 4.13Å; I26-W56 HydrophobicContact CG1-CZ2 3.82Å; D35-W56 HydrophobicContact CB-CZ2 4.02Å; D35-W56 PolarHBondContact OD1-NE1 2.98Å; T38-W56 WeakPolarHBondContact OG1-CH2 3.2Å; T38-W56 VanDerWaalsContact OG1-CZ2 3.23Å; T38-W56 WeakPolarHBondContact OG1-CZ2 3.25Å; F39-W56 HydrophobicContact CB-CH2 3.94Å; L42-W56 HydrophobicContact CD2-CZ3 4.02Å; N52-W56 WeakPolarHBondContact O-CB 3.42Å; N52-W56 PolarHBondContact O-N 3.32Å; I53-W56 PolarHBondContact O-N 3.1Å; W56-R58 PolarHBondContact O-N 2.83Å; W56-H59 WeakPolarHBondContact O-CB 3.3Å; W56-H59 PolarHBondContact O-N 2.83Å; W56-H59 VanDerWaalsContact O-N 3.16Å; W56-I60 HydrophobicContact CD2-CG1 4.16Å; W56-I60 HydrophobicContact CG-CG1 4.33Å; W56-I60 HydrophobicContact CZ2-CG1 4.01Å; W56-I60 WeakPolarHBondContact O-CG1 3.44Å; W56-I60 PolarHBondContact O-N 3.2Å
57Y90.7Very high86.7Confident31 Ų3159.2 Ų59.212%0.12233%0.333CS..Hα-helixtrans-62-47.1179.9-170.2-87.6000111.5F39 L42 K44 L47 I53 H59 I60 D61F39-Y57 HydrophobicContact CD1-CE2 4.21Å; F39-Y57 HydrophobicContact CD2-CD1 4.36Å; F39-Y57 AromaticContact CD2-CD2 3.38Å; F39-Y57 HydrophobicContact CD2-CD2 3.38Å; F39-Y57 HydrophobicContact CD2-CE1 4.36Å; F39-Y57 AromaticContact CD2-CE2 3.39Å; F39-Y57 HydrophobicContact CD2-CE2 3.39Å; F39-Y57 AromaticContact CD2-CG 3.9Å; F39-Y57 HydrophobicContact CD2-CG 3.9Å; F39-Y57 AromaticContact CD2-CZ 3.91Å; F39-Y57 HydrophobicContact CE1-CE2 4.18Å; F39-Y57 AromaticContact CE2-CD1 3.7Å; F39-Y57 HydrophobicContact CE2-CD1 3.7Å; F39-Y57 AromaticContact CE2-CD2 3.54Å; F39-Y57 HydrophobicContact CE2-CD2 3.54Å; F39-Y57 AromaticContact CE2-CE1 3.51Å; F39-Y57 HydrophobicContact CE2-CE1 3.51Å; F39-Y57 AromaticContact CE2-CE2 3.36Å; F39-Y57 HydrophobicContact CE2-CE2 3.36Å; F39-Y57 AromaticContact CE2-CG 3.72Å; F39-Y57 HydrophobicContact CE2-CG 3.72Å; F39-Y57 AromaticContact CE2-CZ 3.35Å; F39-Y57 WeakPolarHBondContact CE2-O 3.02Å; F39-Y57 HydrophobicContact CG-CD2 4.14Å; F39-Y57 AromaticContact CG-CE2 3.84Å; F39-Y57 HydrophobicContact CG-CE2 3.84Å; F39-Y57 HydrophobicContact CZ-CD1 4.37Å; F39-Y57 HydrophobicContact CZ-CD2 4.4Å; F39-Y57 AromaticContact CZ-CE1 3.73Å; F39-Y57 HydrophobicContact CZ-CE1 3.73Å; F39-Y57 AromaticContact CZ-CE2 3.78Å; F39-Y57 HydrophobicContact CZ-CE2 3.78Å; F39-Y57 AromaticContact CZ-CZ 3.4Å; F39-Y57 VanDerWaalsContact CZ-CZ 3.4Å; L42-Y57 HydrophobicContact CB-CD2 4.25Å; L42-Y57 HydrophobicContact CB-CE2 4.08Å; L42-Y57 HydrophobicContact CD2-CD2 4.49Å; K44-Y57 HydrophobicContact CB-CE1 4.24Å; K44-Y57 HydrophobicContact CG-CE1 4.37Å; L47-Y57 HydrophobicContact CD1-CD1 3.72Å; L47-Y57 HydrophobicContact CD1-CD2 3.42Å; L47-Y57 VanDerWaalsContact CD1-CD2 3.42Å; L47-Y57 HydrophobicContact CD1-CE1 4.13Å; L47-Y57 HydrophobicContact CD1-CE2 3.84Å; L47-Y57 HydrophobicContact CD1-CG 3.33Å; I53-Y57 VanDerWaalsContact O-CB 3.26Å; I53-Y57 WeakPolarHBondContact O-CB 3.43Å; I53-Y57 PolarHBondContact O-N 2.72Å; Y57-H59 VanDerWaalsContact C-N 3.3Å; Y57-H59 PolarHBondContact O-N 2.8Å; Y57-I60 PolarHBondContact O-N 3.49Å; Y57-D61 VanDerWaalsContact O-CB 3.31Å; Y57-D61 WeakPolarHBondContact O-CB 3.47Å; Y57-D61 PolarHBondContact O-N 2.97Å
58R90.8Very high87.3Confident175 Ų17567.7 Ų67.766%0.6637%0.369SS*.Hα-helixtrans-61.4-39.2174.8-70-178.2-170.5114.10.7112.1S54 W56 D61 S62S54-R58 WeakPolarHBondContact O-CG 3.2Å; S54-R58 PolarHBondContact O-N 2.96Å; S54-R58 VanDerWaalsContact O-N 3.12Å; W56-R58 PolarHBondContact O-N 2.83Å; R58-D61 PolarHBondContact O-N 2.84Å; R58-S62 PolarHBondContact O-N 3.06Å; R58-S62 VanDerWaalsContact O-N 3.09Å
59H91.1Very high88.1Confident72 Ų7269.8 Ų69.833%0.33337%0.366SS..Hα-helixtrans-61-49.1175.9-176.658.4000111.2Y25 R55 W56 Y57 S62 F63Y25-H59 AromaticContact CE1-CD2 3.71Å; Y25-H59 AromaticContact CE1-NE2 3.57Å; Y25-H59 AromaticContact CZ-NE2 3.63Å; Y25-H59 PolarHBondContact OH-NE2 2.81Å; R55-H59 WeakPolarHBondContact O-CB 3.48Å; R55-H59 PolarHBondContact O-N 3.33Å; W56-H59 WeakPolarHBondContact O-CB 3.3Å; W56-H59 PolarHBondContact O-N 2.83Å; W56-H59 VanDerWaalsContact O-N 3.16Å; Y57-H59 VanDerWaalsContact C-N 3.3Å; Y57-H59 PolarHBondContact O-N 2.8Å; H59-S62 WeakPolarHBondContact O-CB 3.28Å; H59-S62 PolarHBondContact O-N 2.84Å; H59-S62 PolarHBondContact O-OG 2.96Å; H59-F63 AromaticContact CD2-CE2 3.95Å; H59-F63 AromaticContact CE1-CE2 3.73Å; H59-F63 AromaticContact CE1-CZ 3.86Å; H59-F63 AromaticContact NE2-CE2 3.59Å; H59-F63 AromaticContact NE2-CZ 3.82Å; H59-F63 WeakPolarHBondContact O-CD2 3.44Å; H59-F63 VanDerWaalsContact O-CE2 3.31Å; H59-F63 WeakPolarHBondContact O-CE2 3.48Å
60I90.6Very high88.5Confident0 Ų064.2 Ų64.20%034%0.335CS..Hα-helixtrans-69.3-34.6-180-64.2-56.1000112.2Y25 P31 D35 F39 W56 Y57 S62 F63 R67Y25-I60 HydrophobicContact CD1-CD1 4.19Å; Y25-I60 HydrophobicContact CE1-CD1 4.19Å; P31-I60 HydrophobicContact CB-CD1 4.38Å; D35-I60 HydrophobicContact CB-CD1 3.87Å; D35-I60 HydrophobicContact CB-CG1 4.32Å; F39-I60 HydrophobicContact CB-CG2 4.01Å; F39-I60 HydrophobicContact CD2-CB 3.95Å; F39-I60 HydrophobicContact CD2-CG2 3.64Å; F39-I60 HydrophobicContact CE2-CB 4.47Å; F39-I60 HydrophobicContact CE2-CG2 4.32Å; F39-I60 HydrophobicContact CG-CG2 3.99Å; W56-I60 HydrophobicContact CD2-CG1 4.16Å; W56-I60 HydrophobicContact CG-CG1 4.33Å; W56-I60 HydrophobicContact CZ2-CG1 4.01Å; W56-I60 WeakPolarHBondContact O-CG1 3.44Å; W56-I60 PolarHBondContact O-N 3.2Å; Y57-I60 PolarHBondContact O-N 3.49Å; I60-S62 VanDerWaalsContact C-N 3.3Å; I60-S62 PolarHBondContact O-N 3.03Å; I60-F63 HydrophobicContact CD1-CE2 4.5Å; I60-F63 PolarHBondContact O-N 2.92Å; I60-R67 WeakPolarHBondContact O-CD 3.3Å
61D89Confident88.6Confident89 Ų8965.7 Ų65.748%0.47635%0.348SS..Hα-helixtrans-61.7-37.5173.4-163.844.8000112F39 Y57 R58 F63 G64F39-D61 HydrophobicContact CE2-CB 3.82Å; F39-D61 HydrophobicContact CZ-CB 3.98Å; F39-D61 WeakPolarHBondContact CZ-OD1 3.21Å; Y57-D61 VanDerWaalsContact O-CB 3.31Å; Y57-D61 WeakPolarHBondContact O-CB 3.47Å; Y57-D61 PolarHBondContact O-N 2.97Å; R58-D61 PolarHBondContact O-N 2.84Å; D61-F63 PolarHBondContact O-N 2.9Å; D61-F63 VanDerWaalsContact O-N 3.1Å; D61-G64 PolarHBondContact O-N 3.22Å
62S90.5Very high88.2Confident88 Ų8866.6 Ų66.662%0.61535%0.35SS*.Hα-helixtrans-59-26.3-17882.60000114.1R58 H59 I60 G64R58-S62 PolarHBondContact O-N 3.06Å; R58-S62 VanDerWaalsContact O-N 3.09Å; H59-S62 WeakPolarHBondContact O-CB 3.28Å; H59-S62 PolarHBondContact O-N 2.84Å; H59-S62 PolarHBondContact O-OG 2.96Å; I60-S62 VanDerWaalsContact C-N 3.3Å; I60-S62 PolarHBondContact O-N 3.03Å; S62-G64 VanDerWaalsContact C-N 3.33Å; S62-G64 PolarHBondContact O-N 2.81Å
63F88.6Confident87.1Confident59 Ų5967.2 Ų67.226%0.25936%0.359SS..THydrogen-bonded Turntrans-75.4-18.4178.6-67.5-86.2000113.8P31 H59 I60 D61 A65 E66 R67 F70P31-F63 HydrophobicContact CG-CE1 4.5Å; P31-F63 HydrophobicContact CG-CZ 4.25Å; H59-F63 AromaticContact CD2-CE2 3.95Å; H59-F63 AromaticContact CE1-CE2 3.73Å; H59-F63 AromaticContact CE1-CZ 3.86Å; H59-F63 AromaticContact NE2-CE2 3.59Å; H59-F63 AromaticContact NE2-CZ 3.82Å; H59-F63 WeakPolarHBondContact O-CD2 3.44Å; H59-F63 VanDerWaalsContact O-CE2 3.31Å; H59-F63 WeakPolarHBondContact O-CE2 3.48Å; I60-F63 HydrophobicContact CD1-CE2 4.5Å; I60-F63 PolarHBondContact O-N 2.92Å; D61-F63 PolarHBondContact O-N 2.9Å; D61-F63 VanDerWaalsContact O-N 3.1Å; F63-A65 PolarHBondContact O-N 3.04Å; F63-E66 HydrophobicContact CB-CB 4.48Å; F63-E66 WeakPolarHBondContact O-CB 3.38Å; F63-E66 PolarHBondContact O-N 2.88Å; F63-R67 HydrophobicContact CB-CG 3.66Å; F63-F70 HydrophobicContact CB-CE1 4.37Å; F63-F70 HydrophobicContact CB-CZ 3.72Å; F63-F70 AromaticContact CD1-CE1 3.97Å; F63-F70 HydrophobicContact CD1-CE1 3.97Å; F63-F70 AromaticContact CD1-CZ 3.8Å; F63-F70 HydrophobicContact CD1-CZ 3.8Å; F63-F70 AromaticContact CD2-CZ 3.9Å; F63-F70 HydrophobicContact CD2-CZ 3.9Å; F63-F70 HydrophobicContact CE1-CE1 4.45Å; F63-F70 HydrophobicContact CE1-CZ 4.36Å; F63-F70 HydrophobicContact CE2-CZ 4.45Å; F63-F70 HydrophobicContact CG-CE1 4.17Å; F63-F70 AromaticContact CG-CZ 3.54Å; F63-F70 HydrophobicContact CG-CZ 3.54Å
64G85.8Confident85.4Confident45 Ų4573.9 Ų73.946%0.46439%0.39SS..G310 helixtrans48.7-113.3176.300000114.2D61 S62 R67D61-G64 PolarHBondContact O-N 3.22Å; S62-G64 VanDerWaalsContact C-N 3.33Å; S62-G64 PolarHBondContact O-N 2.81Å; G64-R67 WeakPolarHBondContact O-CD 3.38Å; G64-R67 WeakPolarHBondContact O-CG 3.04Å
65A83.9Confident83.3Confident79 Ų7981.6 Ų81.665%0.65343%0.425SS*.G310 helixtrans-73.8-22.2-17800000114.4F63 R67 K68F63-A65 PolarHBondContact O-N 3.04Å; A65-R67 PolarHBondContact O-N 2.66Å; A65-R67 VanDerWaalsContact O-N 3.17Å; A65-K68 PolarHBondContact O-N 2.85Å
66E84.4Confident81Confident92 Ų9280.4 Ų80.443%0.4343%0.433SS..G310 helixtrans-67.6-15.9-178.2-65.5-64.8111.900112.5F63 K68 K69F63-E66 HydrophobicContact CB-CB 4.48Å; F63-E66 WeakPolarHBondContact O-CB 3.38Å; F63-E66 PolarHBondContact O-N 2.88Å; E66-K68 PolarHBondContact O-N 2.98Å; E66-K68 VanDerWaalsContact O-N 3.12Å; E66-K69 WeakPolarHBondContact O-CA 3.38Å; E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.74Å; E66-K69 WeakPolarHBondContact OE1-CE 3.26Å; E66-K69 IonicContact OE1-NZ 2.72Å; E66-K69 PolarHBondContact OE1-NZ 2.67Å; E66-K69 WeakPolarHBondContact OE2-CD 3.47Å; E66-K69 IonicContact OE2-NZ 2.82Å; E66-K69 PolarHBondContact OE2-NZ 2.77Å
67R84.2Confident78.4Confident24 Ų2484.6 Ų84.69%0.09147%0.468CS..G310 helixtrans-59.4-25.6178.2-58.3174.867.9172-4.1113.1V36 F39 I60 F63 G64 A65 K69 F70V36-R67 HydrophobicContact CG2-CB 4.15Å; F39-R67 VanDerWaalsContact CD1-CZ 3.44Å; I60-R67 WeakPolarHBondContact O-CD 3.3Å; F63-R67 HydrophobicContact CB-CG 3.66Å; G64-R67 WeakPolarHBondContact O-CD 3.38Å; G64-R67 WeakPolarHBondContact O-CG 3.04Å; A65-R67 PolarHBondContact O-N 2.66Å; A65-R67 VanDerWaalsContact O-N 3.17Å; R67-K69 VanDerWaalsContact C-N 3.26Å; R67-K69 PolarHBondContact O-N 2.76Å; R67-F70 HydrophobicContact CB-CD2 4.3Å; R67-F70 HydrophobicContact CB-CE2 3.98Å; R67-F70 HydrophobicContact CB-CZ 4.29Å; R67-F70 HydrophobicContact CG-CE2 3.81Å; R67-F70 HydrophobicContact CG-CZ 3.88Å; R67-F70 WeakPolarHBondContact O-CG 3.42Å; R67-F70 PolarHBondContact O-N 3.07Å
68K82.3Confident76Confident182 Ų18287.5 Ų87.579%0.79149%0.486SS*.G310 helixtrans-68.9-23.6173.5-65-177.4-179.5179.20113A65 E66A65-K68 PolarHBondContact O-N 2.85Å; E66-K68 PolarHBondContact O-N 2.98Å; E66-K68 VanDerWaalsContact O-N 3.12Å
69K88.4Confident73.5Confident146 Ų14684 Ų8464%0.63549%0.486SS*.G310 helixtrans-89.9-2.7179.5-58.7178.3-172.91620112.9E66 R67E66-K69 WeakPolarHBondContact O-CA 3.38Å; E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.74Å; E66-K69 WeakPolarHBondContact OE1-CE 3.26Å; E66-K69 IonicContact OE1-NZ 2.72Å; E66-K69 PolarHBondContact OE1-NZ 2.67Å; E66-K69 WeakPolarHBondContact OE2-CD 3.47Å; E66-K69 IonicContact OE2-NZ 2.82Å; E66-K69 PolarHBondContact OE2-NZ 2.77Å; R67-K69 VanDerWaalsContact C-N 3.26Å; R67-K69 PolarHBondContact O-N 2.76Å
70F87.7Confident70.8Confident22 Ų2287.1 Ų87.110%0.09650%0.501CS..PPolyproline II helixtrans-63.3137.9-179.2-67.7-9.7000110.7P31 Q33 V36 F63 R67P31-F70 HydrophobicContact CB-CD1 4.35Å; P31-F70 HydrophobicContact CB-CD2 3.92Å; P31-F70 HydrophobicContact CB-CE1 4.07Å; P31-F70 HydrophobicContact CB-CE2 3.64Å; P31-F70 HydrophobicContact CB-CG 4.28Å; P31-F70 HydrophobicContact CB-CZ 3.71Å; P31-F70 HydrophobicContact CG-CD1 4.26Å; P31-F70 HydrophobicContact CG-CE1 3.93Å; P31-F70 HydrophobicContact CG-CE2 4.39Å; P31-F70 HydrophobicContact CG-CZ 3.99Å; Q33-F70 PolarHBondContact NE2-O 3.25Å; V36-F70 HydrophobicContact CG2-CD2 3.53Å; V36-F70 HydrophobicContact CG2-CE2 4.12Å; V36-F70 HydrophobicContact CG2-CG 4.47Å; F63-F70 HydrophobicContact CB-CE1 4.37Å; F63-F70 HydrophobicContact CB-CZ 3.72Å; F63-F70 AromaticContact CD1-CE1 3.97Å; F63-F70 HydrophobicContact CD1-CE1 3.97Å; F63-F70 AromaticContact CD1-CZ 3.8Å; F63-F70 HydrophobicContact CD1-CZ 3.8Å; F63-F70 AromaticContact CD2-CZ 3.9Å; F63-F70 HydrophobicContact CD2-CZ 3.9Å; F63-F70 HydrophobicContact CE1-CE1 4.45Å; F63-F70 HydrophobicContact CE1-CZ 4.36Å; F63-F70 HydrophobicContact CE2-CZ 4.45Å; F63-F70 HydrophobicContact CG-CE1 4.17Å; F63-F70 AromaticContact CG-CZ 3.54Å; F63-F70 HydrophobicContact CG-CZ 3.54Å; R67-F70 HydrophobicContact CB-CD2 4.3Å; R67-F70 HydrophobicContact CB-CE2 3.98Å; R67-F70 HydrophobicContact CB-CZ 4.29Å; R67-F70 HydrophobicContact CG-CE2 3.81Å; R67-F70 HydrophobicContact CG-CZ 3.88Å; R67-F70 WeakPolarHBondContact O-CG 3.42Å; R67-F70 PolarHBondContact O-N 3.07Å
71P87.4Confident68.5Low60 Ų6092.1 Ų92.139%0.3953%0.533SS..PPolyproline II helixtrans-59.4150.1177.326-34.7000110.3P31 T32 Q33P31-P71 WeakPolarHBondContact O-CD 3.36Å; T32-P71 WeakPolarHBondContact CA-O 3.46Å; Q33-P71 WeakPolarHBondContact CG-O 3.27Å; Q33-P71 PolarHBondContact N-O 2.99Å
72A79.8Confident66.1Low75 Ų7592.4 Ų92.462%0.6255%0.548SS*.PPolyproline II helixtrans-54.3147.6166.700000109Q74A72-Q74 PolarHBondContact O-N 3.33Å
73A68.3Low63.3Low48 Ų4896.6 Ų96.640%0.39756%0.555SS.*  trans-58100.5177.200000108.9A34 E75A34-A73 HydrophobicContact CB-CB 4.1Å; A73-E75 PolarHBondContact O-N 3.05Å
74Q55.1Low60.8Low140 Ų14099.7 Ų99.765%0.65458%0.582SS**  trans-67.8119.7169.2-93.1177.5-107.100106.5A72 S76A72-Q74 PolarHBondContact O-N 3.33Å; Q74-S76 PolarHBondContact O-N 3.4Å
75E45.8Very low58.2Low176 Ų176103.9 Ų103.982%0.82260%0.599SS**  trans-71.164.8171-168.7161.1-165.500108.9A73 A77A73-E75 PolarHBondContact O-N 3.05Å; E75-A77 PolarHBondContact O-N 3.26Å
76S44Very low56Low83 Ų83108.6 Ų108.658%0.5861%0.608SS**  trans-89.5102.2172.6-69.50000107.9Q74 N78Q74-S76 PolarHBondContact O-N 3.4Å; S76-N78 PolarHBondContact O-N 3.49Å
77A37.8Very low53.9Low90 Ų90110.1 Ų110.174%0.74463%0.626SS**  trans-7.1108.215900000114E75 P79E75-A77 PolarHBondContact O-N 3.26Å; A77-P79 VanDerWaalsContact O-CD 3.3Å; A77-P79 WeakPolarHBondContact O-CD 3.26Å
78N41.4Very low51.5Low92 Ų92113.3 Ų113.349%0.49266%0.657SS.*  trans-49.8115.8164.5-166.241.5000108.8R23 S76 E80R23-N78 PolarHBondContact NH2-OD1 3.13Å; S76-N78 PolarHBondContact O-N 3.49Å; N78-E80 VanDerWaalsContact C-N 3.26Å; N78-E80 PolarHBondContact O-N 2.89Å
79P38.2Very low49.2Very low103 Ų103109.6 Ų109.667%0.66966%0.66SS**  trans-69.699.9156.427.7-25.1000105.3A77 P81A77-P79 VanDerWaalsContact O-CD 3.3Å; A77-P79 WeakPolarHBondContact O-CD 3.26Å; P79-P81 VanDerWaalsContact O-CD 3.3Å; P79-P81 WeakPolarHBondContact O-CD 3.4Å
80E34Very low46.9Very low137 Ų137108 Ų10864%0.6467%0.667SS**  trans-50.4117.6170.4-163.8168148.900108.8N78 A82N78-E80 VanDerWaalsContact C-N 3.26Å; N78-E80 PolarHBondContact O-N 2.89Å; E80-A82 PolarHBondContact O-N 2.83Å
81P42.3Very low44.9Very low105 Ų105112.5 Ų112.568%0.68269%0.693SS**  trans-65.5123160.926.2-28.3000106.6P79 K83P79-P81 VanDerWaalsContact O-CD 3.3Å; P79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-K83 PolarHBondContact O-N 3.49Å
82A38.1Very low42.9Very low94 Ų94118.8 Ų118.878%0.77772%0.717SS**  trans-41.5118.6-174.400000112.8E80 C84E80-A82 PolarHBondContact O-N 2.83Å; A82-C84 PolarHBondContact O-N 2.72Å
83K32.2Very low41.4Very low177 Ų177124.3 Ų124.377%0.7773%0.727SS**  trans-68.2105.2160.5-128.6177.2-174.3173.60107.8P81P81-K83 PolarHBondContact O-N 3.49Å
84C35.1Very low41.2Very low123 Ų123127.6 Ų127.683%0.83174%0.738SS**  trans-136.396.6158.6-81.80000109.5A82A82-C84 PolarHBondContact O-N 2.72Å
85T32.6Very low41.3Very low133 Ų133128.6 Ų128.682%0.81675%0.747SS**  trans-50.1139158.1-51.70000110.4
86Q36.7Very low41.7Very low179 Ų179129.3 Ų129.384%0.83675%0.748SS**  trans-49.6153.4170-68.3178.9-1200112.8
87P40.3Very low42Very low124 Ų124130.4 Ų130.481%0.80575%0.751SS**  -140.4137.994.534-17.9000116.1
88A33.1Very low42.3Very low91 Ų91131.6 Ų131.675%0.75275%0.753SS**  trans57.8109.5136.300000122.4
89A35.6Very low42.7Very low103 Ų103134 Ų13485%0.85177%0.767SS**  76.3101.912600000120.4
90S39.5Very low43.4Very low113 Ų113133.5 Ų133.579%0.7976%0.758SS**  -171.5135.8107.4-152.60000111.5
91D45.2Very low44.5Very low117 Ų117133.7 Ų133.763%0.62676%0.764SS**  trans63.399.5161-77.9-37.9000122.3F93D91-F93 VanDerWaalsContact C-N 3.31Å; D91-F93 PolarHBondContact O-N 2.88Å
92E45.9Very low45.3Very low192 Ų192136.2 Ų136.290%0.89777%0.766SS**  32.442.4111.4-61-171.4179.800120.7D94E92-D94 PolarHBondContact O-N 3.11Å
93F47.7Very low46.2Very low190 Ų190136.8 Ų136.883%0.83375%0.753SS**  trans-81.799.9164-93.5-99000111.4D91 L95D91-F93 VanDerWaalsContact C-N 3.31Å; D91-F93 PolarHBondContact O-N 2.88Å; F93-L95 PolarHBondContact O-N 3.28Å
94D63.6Low47.5Very low118 Ų118135.5 Ų135.563%0.63174%0.744SS**  trans-59.6121.5173.6-173.2-0.9000111.9E92 F96E92-D94 PolarHBondContact O-N 3.11Å; D94-F96 VanDerWaalsContact C-N 3.35Å; D94-F96 PolarHBondContact O-N 3.37Å; D94-F96 PolarHBondContact OD1-N 3.42Å
95L58.6Low48.9Very low160 Ų160136.8 Ų136.884%0.83874%0.738SS**THydrogen-bonded Turntrans-86.25.1-169.3-118.888.8000114.6F93F93-L95 PolarHBondContact O-N 3.28Å
96F53.5Low50.3Low191 Ų191135.6 Ų135.684%0.83872%0.722SS**THydrogen-bonded Turntrans-121.311-172.8-88.1-88.8000115.6D94 S98D94-F96 VanDerWaalsContact C-N 3.35Å; D94-F96 PolarHBondContact O-N 3.37Å; D94-F96 PolarHBondContact OD1-N 3.42Å; F96-S98 PolarHBondContact O-N 3.37Å
97V50.6Low51.7Low107 Ų107131.7 Ų131.765%0.64871%0.706SS**SBendtrans-95.481.4175-174.10000111.5D99V97-D99 PolarHBondContact O-N 2.89Å; V97-D99 VanDerWaalsContact O-N 3.1Å
98S43.8Very low53.2Low114 Ų114135.2 Ų135.280%0.79770%0.703SS**SBendtrans25.256.1144.473.10000122.5F96F96-S98 PolarHBondContact O-N 3.37Å
99D49.2Very low54.8Low144 Ų144134.1 Ų134.177%0.7769%0.69SS**  trans-129.213.8164.9-159.438.4000113.4V97V97-D99 PolarHBondContact O-N 2.89Å; V97-D99 VanDerWaalsContact O-N 3.1Å
100D53Low56.4Low92 Ų92134.8 Ų134.849%0.49268%0.675SS.*  trans-94.6-3.5-165.2-144.918.3000114.3E102 E103 Y104D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 PolarHBondContact O-N 2.85Å; D100-E103 PolarHBondContact O-N 3.45Å; D100-E103 WeakPolarHBondContact OD1-CB 3.5Å; D100-Y104 HydrophobicContact CB-CD2 4.3Å; D100-Y104 HydrophobicContact CB-CE2 4.34Å; D100-Y104 VanDerWaalsContact O-CD2 3.24Å; D100-Y104 WeakPolarHBondContact O-CD2 3.15Å; D100-Y104 PolarHBondContact O-N 3.43Å
101D57.6Low57.9Low141 Ų141136.4 Ų136.475%0.75466%0.664SS**Hα-helixtrans-64.3-33.1-176.4-111.5-17.3000112.5Y104 E105D101-Y104 PolarHBondContact O-N 3.11Å; D101-E105 PolarHBondContact O-N 2.88Å
102E59Low58.9Low158 Ų158136 Ų13674%0.73866%0.659SS**Hα-helixtrans-73.3-35.5176.7-64.6-170.5172.200112.3D100 E105 K106D100-E102 VanDerWaalsContact C-N 3.3Å; D100-E102 PolarHBondContact O-N 2.85Å; E102-E105 PolarHBondContact O-N 3.24Å; E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 PolarHBondContact O-N 3.48Å
103E57.1Low59.8Low105 Ų105129.3 Ų129.349%0.49164%0.636SS.*Hα-helixtrans-73.4-28.5175.9-72.1-72.5120.500111.3D100 K106 L107D100-E103 PolarHBondContact O-N 3.45Å; D100-E103 WeakPolarHBondContact OD1-CB 3.5Å; E103-K106 PolarHBondContact O-N 2.84Å; E103-K106 IonicContact OE1-NZ 3.44Å; E103-K106 PolarHBondContact OE1-NZ 3.47Å; E103-L107 VanDerWaalsContact O-CB 3.25Å; E103-L107 WeakPolarHBondContact O-CB 3.25Å; E103-L107 PolarHBondContact O-N 2.86Å
104Y59.8Low60.7Low150 Ų150122.4 Ų122.459%0.58861%0.614SS**Hα-helixtrans-65.7-41169.7-92.5-83.9000112.8D100 D101 K106 R108D100-Y104 HydrophobicContact CB-CD2 4.3Å; D100-Y104 HydrophobicContact CB-CE2 4.34Å; D100-Y104 VanDerWaalsContact O-CD2 3.24Å; D100-Y104 WeakPolarHBondContact O-CD2 3.15Å; D100-Y104 PolarHBondContact O-N 3.43Å; D101-Y104 PolarHBondContact O-N 3.11Å; Y104-K106 VanDerWaalsContact C-N 3.34Å; Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 3.23Å
105E64.2Low60.6Low150 Ų150123.1 Ų123.170%0.70161%0.609SS**Hα-helixtrans-65.8-39.9174.3-73.6-166.9165.600111.6D101 E102 R108 S109D101-E105 PolarHBondContact O-N 2.88Å; E102-E105 PolarHBondContact O-N 3.24Å; E105-R108 WeakPolarHBondContact O-CB 3.04Å; E105-R108 PolarHBondContact O-N 3.3Å; E105-S109 PolarHBondContact O-N 3.1Å
106K62.3Low60.8Low109 Ų109121.2 Ų121.247%0.47460%0.596SS.*Hα-helixtrans-65.8-45.5176.2-162.3176.1174.1-163.70111.6E102 E103 Y104 R108 S109 E110E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 PolarHBondContact O-N 3.48Å; E103-K106 PolarHBondContact O-N 2.84Å; E103-K106 IonicContact OE1-NZ 3.44Å; E103-K106 PolarHBondContact OE1-NZ 3.47Å; Y104-K106 VanDerWaalsContact C-N 3.34Å; K106-R108 VanDerWaalsContact C-N 3.28Å; K106-R108 PolarHBondContact O-N 2.83Å; K106-S109 PolarHBondContact O-N 3.34Å; K106-S109 VanDerWaalsContact O-N 3.11Å; K106-S109 PolarHBondContact O-OG 2.8Å; K106-E110 PolarHBondContact O-N 2.87Å
107L66.4Low61Low97 Ų97114.6 Ų114.651%0.50858%0.576SS.*Hα-helixtrans-61.2-38.3174.3-162.981.6000110.9E103 E110 R111E103-L107 VanDerWaalsContact O-CB 3.25Å; E103-L107 WeakPolarHBondContact O-CB 3.25Å; E103-L107 PolarHBondContact O-N 2.86Å; L107-E110 PolarHBondContact O-N 2.81Å; L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.39Å; L107-R111 WeakPolarHBondContact O-CG 3.24Å; L107-R111 PolarHBondContact O-N 3.26Å
108R71.3Confident61.4Low197 Ų197116.2 Ų116.274%0.74357%0.574SS**Hα-helixtrans-63.3-44173.9-172.7-177.6-175.7130.20.3111.5Y104 E105 K106 R111 Q112Y104-R108 WeakPolarHBondContact O-CB 3.43Å; Y104-R108 PolarHBondContact O-N 3.23Å; E105-R108 WeakPolarHBondContact O-CB 3.04Å; E105-R108 PolarHBondContact O-N 3.3Å; K106-R108 VanDerWaalsContact C-N 3.28Å; K106-R108 PolarHBondContact O-N 2.83Å; R108-R111 PolarHBondContact O-N 3.38Å; R108-Q112 WeakPolarHBondContact O-CB 3.14Å; R108-Q112 PolarHBondContact O-N 2.93Å
109S66.5Low62.1Low68 Ų68117.5 Ų117.548%0.47657%0.565SS.*Hα-helixtrans-66.2-41.4177.874.70000112.2E105 K106 R111 Q112 A113E105-S109 PolarHBondContact O-N 3.1Å; K106-S109 PolarHBondContact O-N 3.34Å; K106-S109 VanDerWaalsContact O-N 3.11Å; K106-S109 PolarHBondContact O-OG 2.8Å; S109-R111 PolarHBondContact O-N 3.44Å; S109-Q112 PolarHBondContact O-N 3.36Å; S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.21Å
110E69.8Low62.2Low118 Ų118114.4 Ų114.455%0.55156%0.56SS**Hα-helixtrans-65.6-37.7174.3-76.5-171.3131.500112K106 L107 A113 A114K106-E110 PolarHBondContact O-N 2.87Å; L107-E110 PolarHBondContact O-N 2.81Å; E110-A113 PolarHBondContact O-N 2.82Å; E110-A114 VanDerWaalsContact O-CB 3.24Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.46Å
111R71.6Confident62.2Low146 Ų146115.7 Ų115.755%0.55157%0.571SS**Hα-helixtrans-65-44173.6-69.3-71.3-72.1-161.2-4.9110.4L107 R108 S109 A114 Y115L107-R111 VanDerWaalsContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.39Å; L107-R111 WeakPolarHBondContact O-CG 3.24Å; L107-R111 PolarHBondContact O-N 3.26Å; R108-R111 PolarHBondContact O-N 3.38Å; S109-R111 PolarHBondContact O-N 3.44Å; R111-A114 PolarHBondContact O-N 3.1Å; R111-Y115 WeakPolarHBondContact O-CD2 3.43Å; R111-Y115 PolarHBondContact O-N 2.83Å
112Q65.5Low61.8Low110 Ų110116.3 Ų116.351%0.51457%0.567SS.*Hα-helixtrans-60.6-46.2176.3-167.966.521.700111R108 S109 A114 Y115 E116R108-Q112 WeakPolarHBondContact O-CB 3.14Å; R108-Q112 PolarHBondContact O-N 2.93Å; S109-Q112 PolarHBondContact O-N 3.36Å; Q112-A114 PolarHBondContact O-N 2.93Å; Q112-Y115 WeakPolarHBondContact O-CB 3.48Å; Q112-Y115 PolarHBondContact O-N 2.8Å; Q112-Y115 VanDerWaalsContact O-N 3.11Å; Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 2.8Å
113A65.8Low61.3Low50 Ų50115.9 Ų115.941%0.41357%0.57SS.*Hα-helixtrans-63.2-38.5175.700000112.4S109 E110 Y115 E116 A117S109-A113 WeakPolarHBondContact O-CB 3.46Å; S109-A113 PolarHBondContact O-N 3.21Å; E110-A113 PolarHBondContact O-N 2.82Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-E116 PolarHBondContact O-N 2.65Å; A113-A117 VanDerWaalsContact O-CB 3.29Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 2.64Å
114A65.4Low61.3Low45 Ų45116 Ų11637%0.37257%0.573SS.*Hα-helixtrans-68.6-31.4174.400000112.4E110 R111 Q112 K118E110-A114 VanDerWaalsContact O-CB 3.24Å; E110-A114 WeakPolarHBondContact O-CB 3.42Å; E110-A114 PolarHBondContact O-N 3.46Å; R111-A114 PolarHBondContact O-N 3.1Å; Q112-A114 PolarHBondContact O-N 2.93Å; A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.47Å; A114-K118 VanDerWaalsContact O-CG 3.23Å; A114-K118 WeakPolarHBondContact O-CG 3.4Å; A114-K118 PolarHBondContact O-N 3.5Å
115Y62.5Low61.2Low134 Ų134114 Ų11453%0.52558%0.579SS.*Hα-helixtrans-70.5-41.8171.6-82.9-71000111.4R111 Q112 A113 K118 K119R111-Y115 WeakPolarHBondContact O-CD2 3.43Å; R111-Y115 PolarHBondContact O-N 2.83Å; Q112-Y115 WeakPolarHBondContact O-CB 3.48Å; Q112-Y115 PolarHBondContact O-N 2.8Å; Q112-Y115 VanDerWaalsContact O-N 3.11Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; Y115-K118 PolarHBondContact O-N 2.96Å; Y115-K119 WeakPolarHBondContact O-CG 3.03Å; Y115-K119 PolarHBondContact O-N 3.06Å
116E61.8Low61.1Low120 Ų120110.5 Ų110.556%0.56157%0.567SS**Hα-helixtrans-62.6-44.2174.1-70.6171.7160.900111.3Q112 A113 K118 K119 A120Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 2.8Å; A113-E116 PolarHBondContact O-N 2.65Å; E116-K118 PolarHBondContact O-N 2.82Å; E116-K119 PolarHBondContact O-N 2.72Å; E116-A120 WeakPolarHBondContact O-CB 3.45Å; E116-A120 PolarHBondContact O-N 3.44Å
117A57.7Low61.9Low51 Ų51106.7 Ų106.742%0.42156%0.556SS.*Hα-helixtrans-66.4-35.3175.200000112.7A113 A120 T121A113-A117 VanDerWaalsContact O-CB 3.29Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 2.64Å; A117-A120 PolarHBondContact O-N 3.06Å; A117-T121 VanDerWaalsContact O-CB 3.32Å; A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.43Å; A117-T121 PolarHBondContact O-OG1 3.49Å
118K59.2Low62.7Low142 Ų142106.3 Ų106.362%0.61755%0.55SS*.Hα-helixtrans-73.4-29.4173.6-79.8179.9178.8178.30112.7A114 Y115 E116 K122A114-K118 VanDerWaalsContact O-CB 3.25Å; A114-K118 WeakPolarHBondContact O-CB 3.47Å; A114-K118 VanDerWaalsContact O-CG 3.23Å; A114-K118 WeakPolarHBondContact O-CG 3.4Å; A114-K118 PolarHBondContact O-N 3.5Å; Y115-K118 PolarHBondContact O-N 2.96Å; E116-K118 PolarHBondContact O-N 2.82Å; K118-K122 WeakPolarHBondContact O-CG 3.25Å; K118-K122 PolarHBondContact O-N 3.29Å
119K58.9Low63.5Low140 Ų14096.9 Ų96.961%0.60951%0.514SS*.Hα-helixtrans-70.3-38.2168.4-74.9-164.475.8-165.80111Y115 E116 K122Y115-K119 WeakPolarHBondContact O-CG 3.03Å; Y115-K119 PolarHBondContact O-N 3.06Å; E116-K119 PolarHBondContact O-N 2.72Å; K119-K122 VanDerWaalsContact O-O 3.07Å
120A50.7Low64.6Low79 Ų7995.9 Ų95.965%0.65351%0.505SS*.Hα-helixtrans-71.6-36176.100000113.6E116 A117E116-A120 WeakPolarHBondContact O-CB 3.45Å; E116-A120 PolarHBondContact O-N 3.44Å; A117-A120 PolarHBondContact O-N 3.06Å
121T54.2Low65.7Low119 Ų11990.3 Ų90.373%0.7348%0.479SS*.Hα-helixtrans-76.3-26.4179.3-57.40000111.9A117 N123A117-T121 VanDerWaalsContact O-CB 3.32Å; A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.43Å; A117-T121 PolarHBondContact O-OG1 3.49Å; T121-N123 PolarHBondContact O-N 3.12Å
122K47.4Very low66.7Low154 Ų15485 Ų8567%0.6746%0.462SS*.SBendtrans-70.488.7161.5-71.8-179.7-176.1-178.90106.3K118 K119 I124K118-K122 WeakPolarHBondContact O-CG 3.25Å; K118-K122 PolarHBondContact O-N 3.29Å; K119-K122 VanDerWaalsContact O-O 3.07Å; K122-I124 HydrophobicContact CB-CG1 4.25Å; K122-I124 PolarHBondContact O-N 3.42Å
123N49.7Very low68Low150 Ų15079.8 Ų79.880%0.80244%0.437SS*.  trans-59.764.9166.3-127.4-19.8000108.3T121T121-N123 PolarHBondContact O-N 3.12Å
124I57.5Low69.3Low106 Ų10678.1 Ų78.154%0.54442%0.421SS..  trans-65.3126.2162.2-61.5171.6000102.6K122 V126K122-I124 HydrophobicContact CB-CG1 4.25Å; K122-I124 PolarHBondContact O-N 3.42Å; I124-V126 PolarHBondContact O-N 3.16Å
125P56.8Low70.5Confident110 Ų11076 Ų7671%0.71440%0.404SS*.  trans-50.5118.2179.421.6-32.7000107.5A127P125-A127 PolarHBondContact O-N 3.42Å
126V63.1Low71.8Confident76 Ų7672.5 Ų72.546%0.46139%0.391SS..  trans-61.494176-176.50000105.6I124 K128 E183I124-V126 PolarHBondContact O-N 3.16Å; V126-K128 HydrophobicContact CG1-CG 3.99Å; V126-K128 PolarHBondContact O-N 2.86Å; V126-K128 VanDerWaalsContact O-N 3.07Å; V126-E183 HydrophobicContact CG1-CB 4.07Å; V126-E183 HydrophobicContact CG1-CG 3.61Å
127A78.4Confident73.2Confident28 Ų2866.9 Ų66.923%0.23137%0.365CS..  trans-66.6110.1174.300000105.2P125 D184P125-A127 PolarHBondContact O-N 3.42Å; A127-D184 HydrophobicContact CB-CB 4.18Å; A127-D184 VanDerWaalsContact CB-OD2 3.26Å; A127-D184 WeakPolarHBondContact CB-OD2 3.3Å; A127-D184 WeakPolarHBondContact O-CB 3.49Å; A127-D184 PolarHBondContact O-N 3.05Å
128K84Confident74.5Confident89 Ų8972 Ų7239%0.38737%0.373SS..EExtended strand (participates in β ladder)trans-99.3132.4178.1-73.2178.3-70.8-179.10106.3V126 V181 I182 L214V126-K128 HydrophobicContact CG1-CG 3.99Å; V126-K128 PolarHBondContact O-N 2.86Å; V126-K128 VanDerWaalsContact O-N 3.07Å; K128-V181 HydrophobicContact CB-CG1 4.22Å; K128-V181 HydrophobicContact CD-CG1 4.48Å; K128-I182 CarbonylContact C-O 3.58Å; K128-I182 VanDerWaalsContact CA-O 3.27Å; K128-I182 WeakPolarHBondContact CA-O 3.17Å; K128-L214 HydrophobicContact CB-CB 4.28Å; K128-L214 HydrophobicContact CB-CD2 4.36Å; K128-L214 WeakPolarHBondContact O-CA 3.05Å; K128-L214 WeakPolarHBondContact O-CB 3.32Å; K128-L214 PolarHBondContact O-N 3.13Å
129S87.9Confident75.6Confident0 Ų066 Ų660%035%0.352CS..EExtended strand (participates in β ladder)trans-114133.4170.8-66.20000109.1V181 I182 D184 F211 N212S129-V181 CarbonylContact O-C 3.52Å; S129-V181 WeakPolarHBondContact O-CA 3.29Å; S129-I182 PolarHBondContact N-O 2.77Å; S129-I182 WeakPolarHBondContact O-CG1 3.41Å; S129-I182 PolarHBondContact O-N 3.32Å; S129-D184 WeakPolarHBondContact CB-OD1 3.46Å; S129-D184 PolarHBondContact OG-OD1 3.04Å; S129-D184 PolarHBondContact OG-OD2 3.47Å; S129-F211 VanDerWaalsContact OG-CZ 3.26Å; S129-F211 WeakPolarHBondContact OG-CZ 3.22Å; S129-N212 CarbonylContact C-O 3.51Å; S129-N212 WeakPolarHBondContact CA-O 3.24Å
130T89.6Confident76.7Confident47 Ų4765.6 Ų65.629%0.28836%0.357SS..EExtended strand (participates in β ladder)trans-90.3119.4166.6-59.60000108.1C180 N212T130-C180 CarbonylContact C-O 3.56Å; T130-C180 WeakPolarHBondContact CA-O 3.44Å; T130-N212 PolarHBondContact N-O 3.46Å; T130-N212 PolarHBondContact O-N 3.44Å
131V91.3Very high78.2Confident0 Ų069.3 Ų69.30%037%0.366CS..EExtended strand (participates in β ladder)trans-117.1138.1-179.2-166.90000108.6F133 A179 C180 I182 T189 I208 A210 F211V131-F133 HydrophobicContact CB-CD2 4.42Å; V131-F133 HydrophobicContact CB-CE2 3.79Å; V131-F133 HydrophobicContact CB-CZ 4.31Å; V131-F133 HydrophobicContact CG1-CD2 3.98Å; V131-F133 HydrophobicContact CG1-CE1 4.2Å; V131-F133 HydrophobicContact CG1-CE2 3.4Å; V131-F133 HydrophobicContact CG1-CZ 3.55Å; V131-A179 CarbonylContact O-C 3.54Å; V131-A179 WeakPolarHBondContact O-CA 3.23Å; V131-C180 PolarHBondContact N-O 3.5Å; V131-C180 PolarHBondContact O-N 2.76Å; V131-I182 HydrophobicContact CG2-CD1 3.78Å; V131-I182 HydrophobicContact CG2-CG1 3.99Å; V131-T189 HydrophobicContact CG1-CG2 4.33Å; V131-T189 HydrophobicContact CG2-CG2 3.89Å; V131-I208 HydrophobicContact CG1-CG2 4.12Å; V131-A210 CarbonylContact C-O 3.6Å; V131-A210 WeakPolarHBondContact CA-O 3.25Å; V131-F211 HydrophobicContact CB-CD2 4.43Å; V131-F211 HydrophobicContact CG1-CD2 4.23Å; V131-F211 HydrophobicContact CG2-CD2 3.5Å; V131-F211 HydrophobicContact CG2-CE2 3.72Å
132I93.3Very high79.4Confident36 Ų3664.8 Ų64.819%0.18534%0.338CS..EExtended strand (participates in β ladder)trans-115.7117.3175.7-57-175.6000106.9Q177 I178 A179 A209 A210I132-Q177 HydrophobicContact CG2-CG 3.22Å; I132-I178 WeakPolarHBondContact CA-O 3.26Å; I132-A179 HydrophobicContact CG1-CB 4.19Å; I132-A209 HydrophobicContact CB-CB 4.29Å; I132-A209 HydrophobicContact CG2-CB 3.94Å; I132-A209 WeakPolarHBondContact O-CB 3.4Å; I132-A209 PolarHBondContact O-N 3.06Å; I132-A210 HydrophobicContact CB-CB 4.09Å; I132-A210 HydrophobicContact CD1-CB 3.99Å; I132-A210 HydrophobicContact CG1-CB 4.14Å; I132-A210 PolarHBondContact N-O 3.47Å; I132-A210 PolarHBondContact O-N 3.49Å
133F92.5Very high81.2Confident0 Ų061.6 Ų61.60%033%0.328CS..EExtended strand (participates in β ladder)trans-99.1132.3175.7-67.7-84.3000109.8V131 Q177 I178 C180 L192 E193 I196 V206 D207 I208V131-F133 HydrophobicContact CB-CD2 4.42Å; V131-F133 HydrophobicContact CB-CE2 3.79Å; V131-F133 HydrophobicContact CB-CZ 4.31Å; V131-F133 HydrophobicContact CG1-CD2 3.98Å; V131-F133 HydrophobicContact CG1-CE1 4.2Å; V131-F133 HydrophobicContact CG1-CE2 3.4Å; V131-F133 HydrophobicContact CG1-CZ 3.55Å; F133-Q177 CarbonylContact O-C 3.46Å; F133-Q177 WeakPolarHBondContact O-CA 3.44Å; F133-I178 HydrophobicContact CB-CG2 4.09Å; F133-I178 PolarHBondContact N-O 2.88Å; F133-I178 PolarHBondContact O-N 2.98Å; F133-C180 VanDerWaalsContact CE2-SG 3.56Å; F133-L192 HydrophobicContact CD2-CD2 4.27Å; F133-L192 HydrophobicContact CE2-CD2 3.43Å; F133-L192 VanDerWaalsContact CE2-CD2 3.43Å; F133-L192 HydrophobicContact CE2-CG 4.08Å; F133-L192 HydrophobicContact CZ-CB 4.3Å; F133-L192 HydrophobicContact CZ-CD2 3.86Å; F133-L192 HydrophobicContact CZ-CG 4.15Å; F133-E193 HydrophobicContact CE1-CB 4.34Å; F133-I196 HydrophobicContact CG-CD1 4.29Å; F133-V206 HydrophobicContact CB-CG1 4.35Å; F133-V206 HydrophobicContact CD1-CG1 3.71Å; F133-V206 HydrophobicContact CE1-CG1 4.5Å; F133-V206 HydrophobicContact CG-CG1 4.43Å; F133-D207 CarbonylContact C-O 3.55Å; F133-D207 WeakPolarHBondContact CA-O 3.29Å; F133-I208 HydrophobicContact CD1-CG1 4.14Å; F133-I208 HydrophobicContact CE1-CD1 4.46Å; F133-I208 HydrophobicContact CE1-CG1 3.78Å
134D92.9Very high82.6Confident15 Ų1556.1 Ų56.18%0.0830%0.298CS..EExtended strand (participates in β ladder)trans-99.1112.2167.8-83-7.3000108.2K175 Q177 D207 A209D134-K175 HydrophobicContact CB-CD 4.13Å; D134-K175 WeakPolarHBondContact OD2-CD 3.49Å; D134-K175 WeakPolarHBondContact OD2-CE 3.42Å; D134-K175 IonicContact OD2-NZ 2.86Å; D134-K175 PolarHBondContact OD2-NZ 3.09Å; D134-Q177 WeakPolarHBondContact OD1-CB 3.4Å; D134-Q177 WeakPolarHBondContact OD1-CG 3.23Å; D134-Q177 PolarHBondContact OD1-NE2 2.83Å; D134-D207 HydrophobicContact CB-CB 4.43Å; D134-D207 PolarHBondContact N-O 3.29Å; D134-D207 PolarHBondContact O-N 2.69Å; D134-A209 HydrophobicContact CB-CB 4.29Å
135V91.1Very high84Confident0 Ų054.3 Ų54.30%030%0.3CS..EExtended strand (participates in β ladder)trans-100116.4177.3-172.90000108.3M147 K175 L176 I196 V203V135-M147 HydrophobicContact CB-SD 4.42Å; V135-M147 HydrophobicContact CG1-CE 4.39Å; V135-M147 HydrophobicContact CG1-CG 4.42Å; V135-M147 HydrophobicContact CG1-SD 3.57Å; V135-M147 VanDerWaalsContact CG1-SD 3.57Å; V135-K175 WeakPolarHBondContact O-CA 3.32Å; V135-L176 HydrophobicContact CB-CB 4.27Å; V135-L176 PolarHBondContact N-O 3.25Å; V135-L176 PolarHBondContact O-N 3.3Å; V135-I196 HydrophobicContact CG1-CG2 4.4Å; V135-I196 HydrophobicContact CG2-CG2 4Å; V135-V203 HydrophobicContact CG1-CB 4.08Å; V135-V203 HydrophobicContact CG1-CG1 3.61Å; V135-V203 HydrophobicContact CG1-CG2 3.45Å; V135-V203 VanDerWaalsContact CG1-CG2 3.45Å
136K90.9Very high85.4Confident60 Ų6054.4 Ų54.426%0.26129%0.29SS..EExtended strand (participates in β ladder)trans-92.9124.5177.5-61-164.3-170.4960109.8L169 Q204 S205 D207K136-L169 HydrophobicContact CD-CD1 4.12Å; K136-L169 HydrophobicContact CG-CD1 4.2Å; K136-Q204 WeakPolarHBondContact O-CB 3.14Å; K136-Q204 PolarHBondContact O-N 3.24Å; K136-S205 PolarHBondContact N-O 3.16Å; K136-S205 PolarHBondContact NZ-OG 2.99Å; K136-S205 PolarHBondContact O-N 3.46Å; K136-D207 IonicContact NZ-OD2 2.73Å; K136-D207 PolarHBondContact NZ-OD2 2.52Å
137P89.6Confident86.4Confident2 Ų250.9 Ų50.91%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-78.8167.6173.633.6-35.9000112G139 T142 M144 I173 K174 F202P137-G139 VanDerWaalsContact C-N 3.35Å; P137-T142 HydrophobicContact CB-CG2 3.94Å; P137-M144 HydrophobicContact CB-SD 4.27Å; P137-M144 HydrophobicContact CG-CE 4.26Å; P137-M144 HydrophobicContact CG-SD 3.97Å; P137-I173 HydrophobicContact CG-CG2 3.89Å; P137-K174 VanDerWaalsContact CD-O 3.24Å; P137-K174 WeakPolarHBondContact CD-O 3.36Å; P137-K174 VanDerWaalsContact CG-O 3.26Å; P137-K174 WeakPolarHBondContact CG-O 3.48Å; P137-F202 VanDerWaalsContact CA-O 3.29Å; P137-F202 WeakPolarHBondContact CA-O 3.41Å
138W86Confident86.9Confident158 Ų15851.8 Ų51.860%0.59827%0.268SS*.SBendtrans-65.9-33.2174.2-80.1103.9000113.7E200 Q204W138-E200 PolarHBondContact NE1-O 3.2Å; W138-Q204 HydrophobicContact CD2-CB 4.25Å; W138-Q204 HydrophobicContact CG-CB 4.42Å
139G82.5Confident87.1Confident17 Ų1755.1 Ų55.118%0.17528%0.283CS..SBendtrans-165-174.5-17800000113.1P137 D141 T142P137-G139 VanDerWaalsContact C-N 3.35Å; G139-D141 VanDerWaalsContact C-N 3.28Å; G139-T142 PolarHBondContact O-OG1 3.09Å
140D81Confident87.1Confident131 Ų13155.8 Ų55.870%0.70129%0.288SS*.THydrogen-bonded Turntrans-77.5-13.317667.1-65.6000113.8
141D81.8Confident87Confident157 Ų15753.6 Ų53.684%0.8428%0.275SS*.THydrogen-bonded Turntrans-78.2-19176-167.9-119.1000113.1G139 D143G139-D141 VanDerWaalsContact C-N 3.28Å; D141-D143 PolarHBondContact O-N 3.28Å
142T80.1Confident86.8Confident25 Ų2557.3 Ų57.315%0.15329%0.289CS..SBendtrans-65.8128.5-178.1-52.20000111.5P137 G139 M144 F202P137-T142 HydrophobicContact CB-CG2 3.94Å; G139-T142 PolarHBondContact O-OG1 3.09Å; T142-M144 PolarHBondContact O-N 2.85Å; T142-F202 HydrophobicContact CG2-CB 4.06Å; T142-F202 HydrophobicContact CG2-CD1 3.88Å; T142-F202 HydrophobicContact CG2-CG 4.49Å
143D85.5Confident86.6Confident87 Ų8759.2 Ų59.247%0.46531%0.305SS..  trans-68.9105.3178.1-167.6-73.6000111.4D141 A145 E146 M147D141-D143 PolarHBondContact O-N 3.28Å; D143-A145 PolarHBondContact O-N 3.47Å; D143-A145 WeakPolarHBondContact OD1-CA 3.37Å; D143-A145 WeakPolarHBondContact OD1-CB 3.39Å; D143-A145 PolarHBondContact OD1-N 3.01Å; D143-E146 HydrophobicContact CB-CB 4.08Å; D143-E146 PolarHBondContact O-N 3.37Å; D143-E146 WeakPolarHBondContact OD1-CB 3.47Å; D143-E146 PolarHBondContact OD1-N 3.17Å; D143-M147 PolarHBondContact O-N 3.02Å; D143-M147 VanDerWaalsContact O-N 3.1Å
144M80Confident86.3Confident34 Ų3459.7 Ų59.717%0.16731%0.308CS..Hα-helixtrans-68-24.5-176.7-58-58.1-70.200113P137 T142 M147 E148 L166 K174 L176P137-M144 HydrophobicContact CB-SD 4.27Å; P137-M144 HydrophobicContact CG-CE 4.26Å; P137-M144 HydrophobicContact CG-SD 3.97Å; T142-M144 PolarHBondContact O-N 2.85Å; M144-M147 HydrophobicContact CE-CE 3.35Å; M144-M147 HydrophobicContact SD-CE 3.79Å; M144-E148 PolarHBondContact O-N 2.92Å; M144-E148 VanDerWaalsContact O-N 3.13Å; M144-L166 HydrophobicContact CB-CD1 4.32Å; M144-L166 HydrophobicContact CB-CD2 4.02Å; M144-L166 HydrophobicContact CE-CD2 3.49Å; M144-L166 VanDerWaalsContact CE-CD2 3.49Å; M144-L166 HydrophobicContact CG-CD2 4.34Å; M144-K174 HydrophobicContact CE-CB 4.31Å; M144-K174 WeakPolarHBondContact CE-O 3.22Å; M144-L176 HydrophobicContact CE-CB 4.05Å
145A85.2Confident85.7Confident69 Ų6967.3 Ų67.357%0.5734%0.343SS*.Hα-helixtrans-80-38.2-179.300000111.2D143 E148 K149D143-A145 PolarHBondContact O-N 3.47Å; D143-A145 WeakPolarHBondContact OD1-CA 3.37Å; D143-A145 WeakPolarHBondContact OD1-CB 3.39Å; D143-A145 PolarHBondContact OD1-N 3.01Å; A145-E148 PolarHBondContact O-N 3.44Å; A145-K149 WeakPolarHBondContact O-CB 3.35Å; A145-K149 PolarHBondContact O-N 3.12Å
146E86.3Confident85.1Confident112 Ų11269.3 Ų69.352%0.52336%0.355SS..Hα-helixtrans-67.8-40.4174-164.4159.3109.900111D143 K149 A150 F202D143-E146 HydrophobicContact CB-CB 4.08Å; D143-E146 PolarHBondContact O-N 3.37Å; D143-E146 WeakPolarHBondContact OD1-CB 3.47Å; D143-E146 PolarHBondContact OD1-N 3.17Å; E146-K149 PolarHBondContact O-N 3.27Å; E146-A150 WeakPolarHBondContact O-CB 3.38Å; E146-A150 PolarHBondContact O-N 3.39Å; E146-F202 HydrophobicContact CG-CE1 4.46Å; E146-F202 HydrophobicContact CG-CZ 4.18Å; E146-F202 VanDerWaalsContact OE1-CZ 3.3Å; E146-F202 WeakPolarHBondContact OE1-CZ 3.5Å
147M84.6Confident84.7Confident1 Ų171.7 Ų71.71%0.00537%0.371CS..Hα-helixtrans-60.8-45.2172-173.9178.558.500111.9V135 D143 M144 K149 A150 V151 L176 F202 V203V135-M147 HydrophobicContact CB-SD 4.42Å; V135-M147 HydrophobicContact CG1-CE 4.39Å; V135-M147 HydrophobicContact CG1-CG 4.42Å; V135-M147 HydrophobicContact CG1-SD 3.57Å; V135-M147 VanDerWaalsContact CG1-SD 3.57Å; D143-M147 PolarHBondContact O-N 3.02Å; D143-M147 VanDerWaalsContact O-N 3.1Å; M144-M147 HydrophobicContact CE-CE 3.35Å; M144-M147 HydrophobicContact SD-CE 3.79Å; M147-K149 VanDerWaalsContact C-N 3.32Å; M147-K149 PolarHBondContact O-N 3.1Å; M147-A150 PolarHBondContact O-N 3Å; M147-V151 WeakPolarHBondContact O-CG2 3.35Å; M147-V151 PolarHBondContact O-N 3.48Å; M147-L176 HydrophobicContact CE-CB 3.41Å; M147-L176 VanDerWaalsContact CE-CB 3.41Å; M147-L176 HydrophobicContact CE-CD2 3.84Å; M147-L176 HydrophobicContact CE-CG 4.25Å; M147-L176 HydrophobicContact CG-CD2 4.33Å; M147-F202 HydrophobicContact CB-CB 4.17Å; M147-F202 HydrophobicContact CG-CB 4.05Å; M147-F202 HydrophobicContact SD-CB 4.33Å; M147-V203 HydrophobicContact CG-CG2 4.34Å; M147-V203 HydrophobicContact SD-CG2 4.12Å
148E88.1Confident84.3Confident48 Ų4872.5 Ų72.522%0.22438%0.38CS..Hα-helixtrans-61.9-41.5175.3-178.6178.6155.900111.7M144 A145 V151 R152 S164 L176M144-E148 PolarHBondContact O-N 2.92Å; M144-E148 VanDerWaalsContact O-N 3.13Å; A145-E148 PolarHBondContact O-N 3.44Å; E148-V151 PolarHBondContact O-N 2.96Å; E148-R152 HydrophobicContact CG-CG 4.36Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 VanDerWaalsContact O-CG 3.3Å; E148-R152 WeakPolarHBondContact O-CG 3.35Å; E148-R152 PolarHBondContact O-N 3.47Å; E148-R152 IonicContact OE1-CZ 3.22Å; E148-R152 VanDerWaalsContact OE1-CZ 3.22Å; E148-R152 IonicContact OE1-NE 2.69Å; E148-R152 PolarHBondContact OE1-NE 2.94Å; E148-R152 IonicContact OE1-NH2 2.86Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å; E148-S164 PolarHBondContact OE1-OG 3.01Å; E148-S164 WeakPolarHBondContact OE2-CB 3.43Å; E148-S164 PolarHBondContact OE2-OG 2.89Å; E148-L176 HydrophobicContact CB-CD1 4.34Å; E148-L176 HydrophobicContact CB-CD2 3.98Å
149K89.4Confident84.3Confident158 Ų15866.1 Ų66.169%0.68736%0.357SS*.Hα-helixtrans-64.9-40.1178.2-173.4-178.8177.9-1730111.9A145 E146 M147 R152 S153A145-K149 WeakPolarHBondContact O-CB 3.35Å; A145-K149 PolarHBondContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.27Å; M147-K149 VanDerWaalsContact C-N 3.32Å; M147-K149 PolarHBondContact O-N 3.1Å; K149-R152 PolarHBondContact O-N 3.37Å; K149-S153 WeakPolarHBondContact O-CB 3.42Å; K149-S153 PolarHBondContact O-N 3.21Å
150A87Confident84.6Confident14 Ų1471 Ų7112%0.11638%0.379CS..Hα-helixtrans-61.9-49.3175.200000111E146 M147 R152 S153 F199E146-A150 WeakPolarHBondContact O-CB 3.38Å; E146-A150 PolarHBondContact O-N 3.39Å; M147-A150 PolarHBondContact O-N 3Å; A150-R152 PolarHBondContact O-N 3.42Å; A150-S153 WeakPolarHBondContact O-CB 3.31Å; A150-S153 PolarHBondContact O-N 3.32Å; A150-S153 PolarHBondContact O-OG 3.09Å; A150-F199 HydrophobicContact CB-CD1 3.82Å; A150-F199 HydrophobicContact CB-CE1 3.73Å; A150-F199 HydrophobicContact CB-CE2 4.45Å; A150-F199 HydrophobicContact CB-CG 4.23Å; A150-F199 HydrophobicContact CB-CZ 4.06Å
151V88.1Confident85Confident1 Ų166.5 Ų66.51%0.00635%0.352CS..Hα-helixtrans-61.9-43.7176.9177.50000111.5M147 E148 S153 I154 W161 I178 I196M147-V151 WeakPolarHBondContact O-CG2 3.35Å; M147-V151 PolarHBondContact O-N 3.48Å; E148-V151 PolarHBondContact O-N 2.96Å; V151-S153 PolarHBondContact O-N 2.76Å; V151-I154 WeakPolarHBondContact O-CB 3.38Å; V151-I154 WeakPolarHBondContact O-CG1 3.31Å; V151-I154 PolarHBondContact O-N 2.76Å; V151-W161 HydrophobicContact CG1-CE3 4.35Å; V151-W161 HydrophobicContact CG1-CH2 3.33Å; V151-W161 HydrophobicContact CG1-CZ2 3.66Å; V151-W161 HydrophobicContact CG1-CZ3 3.72Å; V151-W161 VanDerWaalsContact O-CE2 3.3Å; V151-W161 WeakPolarHBondContact O-CZ2 3.44Å; V151-W161 PolarHBondContact O-NE1 3.24Å; V151-I178 HydrophobicContact CG1-CD1 3.89Å; V151-I178 HydrophobicContact CG1-CG2 4.24Å; V151-I196 HydrophobicContact CG1-CD1 4.3Å; V151-I196 HydrophobicContact CG1-CG1 4.19Å; V151-I196 HydrophobicContact CG2-CG2 4.05Å
152R88Confident85.4Confident79 Ų7960.5 Ų60.530%0.29833%0.327SS..Hα-helixtrans-67.4-18.8176-72-176.2-174.1-71.3-2.9114E148 K149 A150 I154 W161 G162 S164 I178E148-R152 HydrophobicContact CG-CG 4.36Å; E148-R152 WeakPolarHBondContact O-CB 3.35Å; E148-R152 VanDerWaalsContact O-CG 3.3Å; E148-R152 WeakPolarHBondContact O-CG 3.35Å; E148-R152 PolarHBondContact O-N 3.47Å; E148-R152 IonicContact OE1-CZ 3.22Å; E148-R152 VanDerWaalsContact OE1-CZ 3.22Å; E148-R152 IonicContact OE1-NE 2.69Å; E148-R152 PolarHBondContact OE1-NE 2.94Å; E148-R152 IonicContact OE1-NH2 2.86Å; E148-R152 PolarHBondContact OE1-NH2 3.2Å; K149-R152 PolarHBondContact O-N 3.37Å; A150-R152 PolarHBondContact O-N 3.42Å; R152-I154 VanDerWaalsContact C-N 3.27Å; R152-W161 HydrophobicContact CG-CG 4.42Å; R152-G162 PolarHBondContact NH1-O 3.35Å; R152-G162 PolarHBondContact NH2-O 2.75Å; R152-S164 PolarHBondContact NH2-OG 3.39Å; R152-S164 VanDerWaalsContact NH2-OG 3.08Å; R152-I178 HydrophobicContact CG-CD1 4.2Å
153S88.3Confident85.9Confident75 Ų7563.1 Ų63.152%0.52435%0.351SS..Hα-helixtrans-74.6-19.8176.578.90000112.8K149 A150 V151 Q155K149-S153 WeakPolarHBondContact O-CB 3.42Å; K149-S153 PolarHBondContact O-N 3.21Å; A150-S153 WeakPolarHBondContact O-CB 3.31Å; A150-S153 PolarHBondContact O-N 3.32Å; A150-S153 PolarHBondContact O-OG 3.09Å; V151-S153 PolarHBondContact O-N 2.76Å; S153-Q155 PolarHBondContact O-N 2.88Å; S153-Q155 VanDerWaalsContact O-N 3.1Å
154I86.8Confident86.1Confident11 Ų1160.6 Ų60.66%0.05634%0.34CS..  trans-65.4110.5171.1-53.9169.2000107.8V151 R152 L159 W161 L192 E195 I196 F199V151-I154 WeakPolarHBondContact O-CB 3.38Å; V151-I154 WeakPolarHBondContact O-CG1 3.31Å; V151-I154 PolarHBondContact O-N 2.76Å; R152-I154 VanDerWaalsContact C-N 3.27Å; I154-L159 HydrophobicContact CG2-CD2 4.3Å; I154-W161 HydrophobicContact CB-CZ2 4.18Å; I154-W161 HydrophobicContact CD1-CZ2 4.37Å; I154-W161 PolarHBondContact O-NE1 3.41Å; I154-L192 HydrophobicContact CG2-CD1 4.19Å; I154-E195 HydrophobicContact CB-CG 4.47Å; I154-E195 HydrophobicContact CD1-CB 4.06Å; I154-E195 HydrophobicContact CD1-CG 3.83Å; I154-E195 HydrophobicContact CG1-CG 3.83Å; I154-E195 HydrophobicContact CG2-CB 4.36Å; I154-E195 HydrophobicContact CG2-CG 3.87Å; I154-I196 HydrophobicContact CD1-CG1 3.67Å; I154-F199 HydrophobicContact CD1-CE2 3.87Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CZ 4.39Å
155Q79.4Confident86.6Confident175 Ų17564.4 Ų64.482%0.81836%0.356SS*.  trans-115.7125.4174.4-68.5-174.9-1.100109.1S153S153-Q155 PolarHBondContact O-N 2.88Å; S153-Q155 VanDerWaalsContact O-N 3.1Å
156T79.6Confident86.8Confident42 Ų4265 Ų6526%0.25835%0.349SS..  trans-136.2146.7176.2-60.70000108.4G158 L159 V187 M191T156-G158 PolarHBondContact O-N 2.94Å; T156-L159 WeakPolarHBondContact O-CB 3.12Å; T156-L159 PolarHBondContact O-N 3.04Å; T156-V187 HydrophobicContact CG2-CG1 4.48Å; T156-V187 HydrophobicContact CG2-CG2 3.66Å; T156-M191 HydrophobicContact CG2-CE 3.65Å
157D80.9Confident87Confident109 Ų10961.7 Ų61.758%0.58333%0.334SS*.THydrogen-bonded Turntrans-60.1119.9176.2-170.5-120.1000110.6K186 V187D157-K186 WeakPolarHBondContact OD1-CD 3.48Å; D157-K186 WeakPolarHBondContact OD1-CE 3.15Å; D157-K186 IonicContact OD1-NZ 2.66Å; D157-K186 PolarHBondContact OD1-NZ 2.91Å; D157-V187 WeakPolarHBondContact O-CG2 3.3Å
158G83Confident87.2Confident20 Ų2066.4 Ų66.421%0.20637%0.365CS..THydrogen-bonded Turntrans89.53.1-176.100000115.6T156 I182 E183T156-G158 PolarHBondContact O-N 2.94Å; G158-I182 CarbonylContact O-C 3.52Å; G158-I182 WeakPolarHBondContact O-CA 3.18Å; G158-E183 PolarHBondContact O-N 2.85Å
159L85.1Confident86.8Confident23 Ų2368 Ų6812%0.1238%0.375CS..EExtended strand (participates in β ladder)trans-100.2123.6173.9178.567.3000111.1I154 T156 W161 C180 I182 V187 L192I154-L159 HydrophobicContact CG2-CD2 4.3Å; T156-L159 WeakPolarHBondContact O-CB 3.12Å; T156-L159 PolarHBondContact O-N 3.04Å; L159-W161 HydrophobicContact CD2-CZ2 3.85Å; L159-C180 HydrophobicContact CD1-CB 3.8Å; L159-I182 HydrophobicContact CD1-CG2 3.5Å; L159-V187 HydrophobicContact CB-CG2 4.5Å; L159-L192 HydrophobicContact CD1-CD1 4.45Å; L159-L192 HydrophobicContact CD1-CD2 3.68Å; L159-L192 HydrophobicContact CD2-CD1 3.76Å; L159-L192 HydrophobicContact CD2-CD2 4.48Å
160L88.5Confident86.5Confident120 Ų12063 Ų6363%0.62836%0.364SS*.EExtended strand (participates in β ladder)trans-120.7115.3171.7-17867000110.6G162 C180 V181L160-G162 PolarHBondContact O-N 3.01Å; L160-C180 CarbonylContact O-C 3.57Å; L160-C180 WeakPolarHBondContact O-CA 3.41Å; L160-V181 HydrophobicContact CB-CB 4.37Å; L160-V181 PolarHBondContact N-O 2.79Å; L160-V181 PolarHBondContact O-N 3.37Å
161W90.3Very high86.1Confident37 Ų3773.2 Ų73.214%0.1440%0.401CS..EExtended strand (participates in β ladder)trans-70.6129.1172.2-67.1111.4000111.5V151 R152 I154 L159 I178 C180 L192 I196V151-W161 HydrophobicContact CG1-CE3 4.35Å; V151-W161 HydrophobicContact CG1-CH2 3.33Å; V151-W161 HydrophobicContact CG1-CZ2 3.66Å; V151-W161 HydrophobicContact CG1-CZ3 3.72Å; V151-W161 VanDerWaalsContact O-CE2 3.3Å; V151-W161 WeakPolarHBondContact O-CZ2 3.44Å; V151-W161 PolarHBondContact O-NE1 3.24Å; R152-W161 HydrophobicContact CG-CG 4.42Å; I154-W161 HydrophobicContact CB-CZ2 4.18Å; I154-W161 HydrophobicContact CD1-CZ2 4.37Å; I154-W161 PolarHBondContact O-NE1 3.41Å; L159-W161 HydrophobicContact CD2-CZ2 3.85Å; W161-I178 HydrophobicContact CD2-CD1 4.15Å; W161-I178 HydrophobicContact CE3-CD1 3.46Å; W161-I178 VanDerWaalsContact CE3-CD1 3.46Å; W161-I178 HydrophobicContact CE3-CG1 3.72Å; W161-I178 HydrophobicContact CZ3-CD1 3.82Å; W161-I178 HydrophobicContact CZ3-CG1 3.98Å; W161-I178 HydrophobicContact CZ3-CG2 3.97Å; W161-C180 HydrophobicContact CD2-CB 4.38Å; W161-C180 HydrophobicContact CE3-CB 3.63Å; W161-C180 HydrophobicContact CZ3-CB 3.78Å; W161-L192 HydrophobicContact CH2-CD1 3.81Å; W161-L192 HydrophobicContact CH2-CD2 4.15Å; W161-L192 HydrophobicContact CH2-CG 4.28Å; W161-L192 HydrophobicContact CZ2-CD1 3.81Å; W161-I196 HydrophobicContact CH2-CD1 4.12Å
162G89.3Confident85.7Confident31 Ų3176.1 Ų76.132%0.3243%0.43SS..EExtended strand (participates in β ladder)trans-100.5-149.1177.400000112.9R152 L160 A179R152-G162 PolarHBondContact NH1-O 3.35Å; R152-G162 PolarHBondContact NH2-O 2.75Å; L160-G162 PolarHBondContact O-N 3.01Å; G162-A179 VanDerWaalsContact CA-O 3.28Å; G162-A179 WeakPolarHBondContact CA-O 3.45Å; G162-A179 PolarHBondContact N-O 2.94Å
163A90.1Very high85.6Confident79 Ų7974.8 Ų74.865%0.65343%0.429SS*.EExtended strand (participates in β ladder)trans-69.1138.717900000111.5A179A163-A179 PolarHBondContact O-N 3.16Å
164S90.6Very high85.5Confident34 Ų3476.2 Ų76.224%0.23843%0.425CS..EExtended strand (participates in β ladder)trans-105.3148.816755.60000109.6E148 R152 Q177E148-S164 PolarHBondContact OE1-OG 3.01Å; E148-S164 WeakPolarHBondContact OE2-CB 3.43Å; E148-S164 PolarHBondContact OE2-OG 2.89Å; R152-S164 PolarHBondContact NH2-OG 3.39Å; R152-S164 VanDerWaalsContact NH2-OG 3.08Å; S164-Q177 CarbonylContact C-O 3.59Å; S164-Q177 VanDerWaalsContact CA-O 3.25Å; S164-Q177 WeakPolarHBondContact CA-O 3.29Å
165K91.2Very high85.7Confident114 Ų11477.3 Ų77.350%0.49643%0.43SS..EExtended strand (participates in β ladder)trans-144.9145.1169.371.4-176.4-165.8-149.30110.2I167 Q177K165-I167 HydrophobicContact CD-CG1 4.37Å; K165-I167 HydrophobicContact CG-CD1 4.49Å; K165-I167 HydrophobicContact CG-CG1 4.08Å; K165-Q177 HydrophobicContact CG-CB 3.9Å; K165-Q177 HydrophobicContact CG-CG 4.38Å; K165-Q177 PolarHBondContact N-O 3.42Å; K165-Q177 PolarHBondContact O-N 2.88Å
166L89.6Confident86.3Confident82 Ų8269 Ų6943%0.42939%0.391SS..EExtended strand (participates in β ladder)trans-92.9116.9175.5-61.5172.7000108.9M144 K174 K175 L176M144-L166 HydrophobicContact CB-CD1 4.32Å; M144-L166 HydrophobicContact CB-CD2 4.02Å; M144-L166 HydrophobicContact CE-CD2 3.49Å; M144-L166 VanDerWaalsContact CE-CD2 3.49Å; M144-L166 HydrophobicContact CG-CD2 4.34Å; L166-K174 HydrophobicContact CB-CD 4.43Å; L166-K175 WeakPolarHBondContact CA-O 3.42Å; L166-L176 HydrophobicContact CD2-CB 4.2Å; L166-L176 HydrophobicContact CD2-CD1 3.84Å
167I89.7Confident86.8Confident42 Ų4268.2 Ų68.222%0.21538%0.384CS..EExtended strand (participates in β ladder)trans-104.2124.9178.1-52.9173000108.3K165 L169 K174 K175 Q177K165-I167 HydrophobicContact CD-CG1 4.37Å; K165-I167 HydrophobicContact CG-CD1 4.49Å; K165-I167 HydrophobicContact CG-CG1 4.08Å; I167-L169 PolarHBondContact O-N 3.02Å; I167-K174 CarbonylContact O-C 3.48Å; I167-K174 WeakPolarHBondContact O-CA 3.35Å; I167-K175 HydrophobicContact CB-CD 4.39Å; I167-K175 HydrophobicContact CB-CG 3.82Å; I167-K175 PolarHBondContact N-O 3.47Å; I167-K175 WeakPolarHBondContact O-CG 3.24Å; I167-K175 PolarHBondContact O-N 2.92Å; I167-Q177 HydrophobicContact CD1-CB 3.74Å; I167-Q177 HydrophobicContact CD1-CG 4.29Å; I167-Q177 HydrophobicContact CG1-CB 4.19Å
168P88.6Confident87.4Confident101 Ų10163 Ų6366%0.65636%0.356SS*.EExtended strand (participates in β ladder)trans-67.3127.4171.828-32.4000110
169L80.6Confident87.9Confident80 Ų8063.1 Ų63.142%0.41936%0.356SS..EExtended strand (participates in β ladder)trans-91.5-71.8176.2-83172.6000110.6K136 I167 I173 K175K136-L169 HydrophobicContact CD-CD1 4.12Å; K136-L169 HydrophobicContact CG-CD1 4.2Å; I167-L169 PolarHBondContact O-N 3.02Å; L169-I173 PolarHBondContact N-O 3.46Å; L169-K175 HydrophobicContact CD1-CB 3.71Å; L169-K175 HydrophobicContact CD1-CD 3.95Å; L169-K175 HydrophobicContact CD1-CG 4Å; L169-K175 HydrophobicContact CD2-CD 3.69Å; L169-K175 HydrophobicContact CD2-CG 4.27Å; L169-K175 HydrophobicContact CG-CB 4.05Å; L169-K175 HydrophobicContact CG-CD 3.75Å; L169-K175 HydrophobicContact CG-CG 3.78Å
170A81.4Confident88.1Confident55 Ų5562.1 Ų62.146%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-168159.4179.500000109.9G172 I173A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.48Å; A170-I173 PolarHBondContact O-N 3.35Å; A170-I173 VanDerWaalsContact O-N 3.08Å
171Y79.9Confident88.2Confident228 Ų22858.5 Ų58.589%0.89433%0.333SS*.THydrogen-bonded Turntrans54.434.1174.9-58.1-80.6000115.3I173Y171-I173 PolarHBondContact O-N 3.47Å
172G79.6Confident88.2Confident61 Ų6156.9 Ų56.963%0.62933%0.327SS*.THydrogen-bonded Turntrans83-11.3-179.900000114.9A170A170-G172 VanDerWaalsContact C-N 3.27Å; A170-G172 PolarHBondContact O-N 3.48Å
173I85.2Confident88Confident51 Ų5158.1 Ų58.126%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-77.9131.2179.9-54171.7000110P137 L169 A170 Y171P137-I173 HydrophobicContact CG-CG2 3.89Å; L169-I173 PolarHBondContact N-O 3.46Å; A170-I173 PolarHBondContact O-N 3.35Å; A170-I173 VanDerWaalsContact O-N 3.08Å; Y171-I173 PolarHBondContact O-N 3.47Å
174K86.2Confident87.6Confident106 Ų10657 Ų5746%0.46131%0.308SS..EExtended strand (participates in β ladder)trans-107.8133.7174.6-62.4174.1-172.1167.60108.9P137 M144 L166 I167P137-K174 VanDerWaalsContact CD-O 3.24Å; P137-K174 WeakPolarHBondContact CD-O 3.36Å; P137-K174 VanDerWaalsContact CG-O 3.26Å; P137-K174 WeakPolarHBondContact CG-O 3.48Å; M144-K174 HydrophobicContact CE-CB 4.31Å; M144-K174 WeakPolarHBondContact CE-O 3.22Å; L166-K174 HydrophobicContact CB-CD 4.43Å; I167-K174 CarbonylContact O-C 3.48Å; I167-K174 WeakPolarHBondContact O-CA 3.35Å
175K91.2Very high87.1Confident34 Ų3461 Ų6115%0.14833%0.326CS..EExtended strand (participates in β ladder)trans-88143.5166.560.4177.2167.7173.50110.3D134 V135 L166 I167 L169D134-K175 HydrophobicContact CB-CD 4.13Å; D134-K175 WeakPolarHBondContact OD2-CD 3.49Å; D134-K175 WeakPolarHBondContact OD2-CE 3.42Å; D134-K175 IonicContact OD2-NZ 2.86Å; D134-K175 PolarHBondContact OD2-NZ 3.09Å; V135-K175 WeakPolarHBondContact O-CA 3.32Å; L166-K175 WeakPolarHBondContact CA-O 3.42Å; I167-K175 HydrophobicContact CB-CD 4.39Å; I167-K175 HydrophobicContact CB-CG 3.82Å; I167-K175 PolarHBondContact N-O 3.47Å; I167-K175 WeakPolarHBondContact O-CG 3.24Å; I167-K175 PolarHBondContact O-N 2.92Å; L169-K175 HydrophobicContact CD1-CB 3.71Å; L169-K175 HydrophobicContact CD1-CD 3.95Å; L169-K175 HydrophobicContact CD1-CG 4Å; L169-K175 HydrophobicContact CD2-CD 3.69Å; L169-K175 HydrophobicContact CD2-CG 4.27Å; L169-K175 HydrophobicContact CG-CB 4.05Å; L169-K175 HydrophobicContact CG-CD 3.75Å; L169-K175 HydrophobicContact CG-CG 3.78Å
176L91.4Very high86.5Confident0 Ų060.8 Ų60.80%033%0.326CS..EExtended strand (participates in β ladder)trans-86.1111.8169.3173.968.4000108.2V135 M144 M147 E148 L166V135-L176 HydrophobicContact CB-CB 4.27Å; V135-L176 PolarHBondContact N-O 3.25Å; V135-L176 PolarHBondContact O-N 3.3Å; M144-L176 HydrophobicContact CE-CB 4.05Å; M147-L176 HydrophobicContact CE-CB 3.41Å; M147-L176 VanDerWaalsContact CE-CB 3.41Å; M147-L176 HydrophobicContact CE-CD2 3.84Å; M147-L176 HydrophobicContact CE-CG 4.25Å; M147-L176 HydrophobicContact CG-CD2 4.33Å; E148-L176 HydrophobicContact CB-CD1 4.34Å; E148-L176 HydrophobicContact CB-CD2 3.98Å; L166-L176 HydrophobicContact CD2-CB 4.2Å; L166-L176 HydrophobicContact CD2-CD1 3.84Å
177Q91.8Very high86.1Confident25 Ų2557 Ų5712%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-93.2118.4168.5179.9164.9103.300108.7I132 F133 D134 S164 K165 I167I132-Q177 HydrophobicContact CG2-CG 3.22Å; F133-Q177 CarbonylContact O-C 3.46Å; F133-Q177 WeakPolarHBondContact O-CA 3.44Å; D134-Q177 WeakPolarHBondContact OD1-CB 3.4Å; D134-Q177 WeakPolarHBondContact OD1-CG 3.23Å; D134-Q177 PolarHBondContact OD1-NE2 2.83Å; S164-Q177 CarbonylContact C-O 3.59Å; S164-Q177 VanDerWaalsContact CA-O 3.25Å; S164-Q177 WeakPolarHBondContact CA-O 3.29Å; K165-Q177 HydrophobicContact CG-CB 3.9Å; K165-Q177 HydrophobicContact CG-CG 4.38Å; K165-Q177 PolarHBondContact N-O 3.42Å; K165-Q177 PolarHBondContact O-N 2.88Å; I167-Q177 HydrophobicContact CD1-CB 3.74Å; I167-Q177 HydrophobicContact CD1-CG 4.29Å; I167-Q177 HydrophobicContact CG1-CB 4.19Å
178I92.9Very high85.8Confident0 Ų057.9 Ų57.90%032%0.316CS..EExtended strand (participates in β ladder)trans-122.4128.3178-169.7165.6000110.5I132 F133 V151 R152 W161I132-I178 WeakPolarHBondContact CA-O 3.26Å; F133-I178 HydrophobicContact CB-CG2 4.09Å; F133-I178 PolarHBondContact N-O 2.88Å; F133-I178 PolarHBondContact O-N 2.98Å; V151-I178 HydrophobicContact CG1-CD1 3.89Å; V151-I178 HydrophobicContact CG1-CG2 4.24Å; R152-I178 HydrophobicContact CG-CD1 4.2Å; W161-I178 HydrophobicContact CD2-CD1 4.15Å; W161-I178 HydrophobicContact CE3-CD1 3.46Å; W161-I178 VanDerWaalsContact CE3-CD1 3.46Å; W161-I178 HydrophobicContact CE3-CG1 3.72Å; W161-I178 HydrophobicContact CZ3-CD1 3.82Å; W161-I178 HydrophobicContact CZ3-CG1 3.98Å; W161-I178 HydrophobicContact CZ3-CG2 3.97Å
179A92.3Very high85.6Confident23 Ų2354.7 Ų54.719%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-90.4143.517300000110.2V131 I132 G162 A163V131-A179 CarbonylContact O-C 3.54Å; V131-A179 WeakPolarHBondContact O-CA 3.23Å; I132-A179 HydrophobicContact CG1-CB 4.19Å; G162-A179 VanDerWaalsContact CA-O 3.28Å; G162-A179 WeakPolarHBondContact CA-O 3.45Å; G162-A179 PolarHBondContact N-O 2.94Å; A163-A179 PolarHBondContact O-N 3.16Å
180C90.4Very high86Confident1 Ų155.1 Ų55.11%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-139.2154.7169.164.20000110.9T130 V131 F133 L159 L160 W161T130-C180 CarbonylContact C-O 3.56Å; T130-C180 WeakPolarHBondContact CA-O 3.44Å; V131-C180 PolarHBondContact N-O 3.5Å; V131-C180 PolarHBondContact O-N 2.76Å; F133-C180 VanDerWaalsContact CE2-SG 3.56Å; L159-C180 HydrophobicContact CD1-CB 3.8Å; L160-C180 CarbonylContact O-C 3.57Å; L160-C180 WeakPolarHBondContact O-CA 3.41Å; W161-C180 HydrophobicContact CD2-CB 4.38Å; W161-C180 HydrophobicContact CE3-CB 3.63Å; W161-C180 HydrophobicContact CZ3-CB 3.78Å
181V90.1Very high86.3Confident45 Ų4556 Ų5627%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-108.6123.2170.3-177.10000107.2K128 S129 L160K128-V181 HydrophobicContact CB-CG1 4.22Å; K128-V181 HydrophobicContact CD-CG1 4.48Å; S129-V181 CarbonylContact O-C 3.52Å; S129-V181 WeakPolarHBondContact O-CA 3.29Å; L160-V181 HydrophobicContact CB-CB 4.37Å; L160-V181 PolarHBondContact N-O 2.79Å; L160-V181 PolarHBondContact O-N 3.37Å
182I89.9Confident86.6Confident3 Ų345.1 Ų45.12%0.01525%0.25CS..EExtended strand (participates in β ladder)trans-112.7146.3177.358.6171.7000110.4K128 S129 V131 G158 L159 V187 T189 L192K128-I182 CarbonylContact C-O 3.58Å; K128-I182 VanDerWaalsContact CA-O 3.27Å; K128-I182 WeakPolarHBondContact CA-O 3.17Å; S129-I182 PolarHBondContact N-O 2.77Å; S129-I182 WeakPolarHBondContact O-CG1 3.41Å; S129-I182 PolarHBondContact O-N 3.32Å; V131-I182 HydrophobicContact CG2-CD1 3.78Å; V131-I182 HydrophobicContact CG2-CG1 3.99Å; G158-I182 CarbonylContact O-C 3.52Å; G158-I182 WeakPolarHBondContact O-CA 3.18Å; L159-I182 HydrophobicContact CD1-CG2 3.5Å; I182-V187 HydrophobicContact CB-CB 4.17Å; I182-V187 HydrophobicContact CB-CG1 4.38Å; I182-V187 HydrophobicContact CG2-CB 4.25Å; I182-V187 HydrophobicContact CG2-CG1 3.93Å; I182-T189 HydrophobicContact CD1-CG2 3.56Å; I182-L192 HydrophobicContact CG2-CD2 4.33Å
183E84.8Confident87Confident56 Ų5645.1 Ų45.126%0.26223%0.234SC..EExtended strand (participates in β ladder)trans-86.1112.2163-63.5-173.5-179.600109V126 G158 D185 K186 V187V126-E183 HydrophobicContact CG1-CB 4.07Å; V126-E183 HydrophobicContact CG1-CG 3.61Å; G158-E183 PolarHBondContact O-N 2.85Å; E183-D185 PolarHBondContact O-N 3.09Å; E183-K186 HydrophobicContact CB-CB 4.45Å; E183-K186 HydrophobicContact CB-CG 4.44Å; E183-K186 PolarHBondContact O-N 3.38Å; E183-K186 VanDerWaalsContact OE2-CE 3.25Å; E183-K186 WeakPolarHBondContact OE2-CE 3.13Å; E183-V187 PolarHBondContact O-N 3.08Å
184D81.8Confident87.2Confident56 Ų5648.7 Ų48.730%0.29925%0.249SC..THydrogen-bonded Turntrans-59.4-23.5-173.1-63-40.1000113.3A127 S129A127-D184 HydrophobicContact CB-CB 4.18Å; A127-D184 VanDerWaalsContact CB-OD2 3.26Å; A127-D184 WeakPolarHBondContact CB-OD2 3.3Å; A127-D184 WeakPolarHBondContact O-CB 3.49Å; A127-D184 PolarHBondContact O-N 3.05Å; S129-D184 WeakPolarHBondContact CB-OD1 3.46Å; S129-D184 PolarHBondContact OG-OD1 3.04Å; S129-D184 PolarHBondContact OG-OD2 3.47Å
185D80.7Confident87.2Confident117 Ų11746.9 Ų46.963%0.62624%0.243SC*.THydrogen-bonded Turntrans-76.5-23.9178.3-166.8-110.6000112.8E183E183-D185 PolarHBondContact O-N 3.09Å
186K79Confident87.1Confident111 Ų11145.3 Ų45.348%0.48324%0.235SC..THydrogen-bonded Turntrans-113-37.7-172.2-55.6-160.1-168.6-159.10113.6D157 E183D157-K186 WeakPolarHBondContact OD1-CD 3.48Å; D157-K186 WeakPolarHBondContact OD1-CE 3.15Å; D157-K186 IonicContact OD1-NZ 2.66Å; D157-K186 PolarHBondContact OD1-NZ 2.91Å; E183-K186 HydrophobicContact CB-CB 4.45Å; E183-K186 HydrophobicContact CB-CG 4.44Å; E183-K186 PolarHBondContact O-N 3.38Å; E183-K186 VanDerWaalsContact OE2-CE 3.25Å; E183-K186 WeakPolarHBondContact OE2-CE 3.13Å
187V81.2Confident86.8Confident1 Ų148.1 Ų48.11%0.00625%0.253CS..  trans-122.3119.4-173.7-172.60000108.6T156 D157 L159 I182 E183T156-V187 HydrophobicContact CG2-CG1 4.48Å; T156-V187 HydrophobicContact CG2-CG2 3.66Å; D157-V187 WeakPolarHBondContact O-CG2 3.3Å; L159-V187 HydrophobicContact CB-CG2 4.5Å; I182-V187 HydrophobicContact CB-CB 4.17Å; I182-V187 HydrophobicContact CB-CG1 4.38Å; I182-V187 HydrophobicContact CG2-CB 4.25Å; I182-V187 HydrophobicContact CG2-CG1 3.93Å; E183-V187 PolarHBondContact O-N 3.08Å
188S83Confident86.6Confident61 Ų6153.9 Ų53.943%0.42728%0.278SS..  trans-85.3146.8169.357.90000110.2D190 M191 L192S188-D190 PolarHBondContact O-N 2.74Å; S188-M191 PolarHBondContact O-N 3.36Å; S188-M191 VanDerWaalsContact OG-CB 3.3Å; S188-M191 WeakPolarHBondContact OG-CB 3.49Å; S188-M191 PolarHBondContact OG-N 2.99Å; S188-L192 PolarHBondContact O-N 3.17Å
189T84.6Confident86.1Confident34 Ų3456.6 Ų56.621%0.20929%0.289CS..Hα-helixtrans-59.8-34.1172.251.70000112.1V131 I182 L192 E193 F211V131-T189 HydrophobicContact CG1-CG2 4.33Å; V131-T189 HydrophobicContact CG2-CG2 3.89Å; I182-T189 HydrophobicContact CD1-CG2 3.56Å; T189-L192 PolarHBondContact O-N 3.05Å; T189-E193 WeakPolarHBondContact O-CG 2.99Å; T189-E193 PolarHBondContact O-N 2.99Å; T189-F211 HydrophobicContact CG2-CD2 3.91Å; T189-F211 HydrophobicContact CG2-CE2 3.62Å
190D88.2Confident85.5Confident89 Ų8962.4 Ų62.448%0.47631%0.313SS..Hα-helixtrans-62.7-44.1178.8-168.3-112.2000112.7S188 L192 E193 E194S188-D190 PolarHBondContact O-N 2.74Å; D190-L192 PolarHBondContact O-N 3.25Å; D190-E193 VanDerWaalsContact CA-OE1 3.3Å; D190-E193 WeakPolarHBondContact CA-OE1 3.4Å; D190-E193 WeakPolarHBondContact O-CG 3.48Å; D190-E193 PolarHBondContact O-N 3.42Å; D190-E194 WeakPolarHBondContact O-CG 3.17Å; D190-E194 PolarHBondContact O-N 2.95Å; D190-E194 VanDerWaalsContact O-N 3.13Å
191M87.3Confident85.1Confident73 Ų7368.4 Ų68.436%0.3635%0.345SS..Hα-helixtrans-65-34175.5-167-165.891.600111.6T156 S188 E195T156-M191 HydrophobicContact CG2-CE 3.65Å; S188-M191 PolarHBondContact O-N 3.36Å; S188-M191 VanDerWaalsContact OG-CB 3.3Å; S188-M191 WeakPolarHBondContact OG-CB 3.49Å; S188-M191 PolarHBondContact OG-N 2.99Å; M191-E195 PolarHBondContact O-N 3.4Å; M191-E195 VanDerWaalsContact O-N 3.15Å
192L87.2Confident84.5Confident1 Ų167.9 Ų67.91%0.00534%0.339CS..Hα-helixtrans-75.3-39.8-178.7-17357.8000112.4F133 I154 L159 W161 I182 S188 T189 D190 E194 E195 I196F133-L192 HydrophobicContact CD2-CD2 4.27Å; F133-L192 HydrophobicContact CE2-CD2 3.43Å; F133-L192 VanDerWaalsContact CE2-CD2 3.43Å; F133-L192 HydrophobicContact CE2-CG 4.08Å; F133-L192 HydrophobicContact CZ-CB 4.3Å; F133-L192 HydrophobicContact CZ-CD2 3.86Å; F133-L192 HydrophobicContact CZ-CG 4.15Å; I154-L192 HydrophobicContact CG2-CD1 4.19Å; L159-L192 HydrophobicContact CD1-CD1 4.45Å; L159-L192 HydrophobicContact CD1-CD2 3.68Å; L159-L192 HydrophobicContact CD2-CD1 3.76Å; L159-L192 HydrophobicContact CD2-CD2 4.48Å; W161-L192 HydrophobicContact CH2-CD1 3.81Å; W161-L192 HydrophobicContact CH2-CD2 4.15Å; W161-L192 HydrophobicContact CH2-CG 4.28Å; W161-L192 HydrophobicContact CZ2-CD1 3.81Å; I182-L192 HydrophobicContact CG2-CD2 4.33Å; S188-L192 PolarHBondContact O-N 3.17Å; T189-L192 PolarHBondContact O-N 3.05Å; D190-L192 PolarHBondContact O-N 3.25Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E195 PolarHBondContact O-N 3.04Å; L192-I196 HydrophobicContact CD1-CD1 4.4Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CD1 3.3Å; L192-I196 WeakPolarHBondContact O-CG1 3.31Å; L192-I196 PolarHBondContact O-N 3.34Å; L192-I196 VanDerWaalsContact O-N 3.08Å
193E87.7Confident84.3Confident61 Ų6168 Ų6829%0.28534%0.34SS..Hα-helixtrans-63.7-37.4172.958.6-172.7100.700111.9F133 T189 D190 I196 T197 V206F133-E193 HydrophobicContact CE1-CB 4.34Å; T189-E193 WeakPolarHBondContact O-CG 2.99Å; T189-E193 PolarHBondContact O-N 2.99Å; D190-E193 VanDerWaalsContact CA-OE1 3.3Å; D190-E193 WeakPolarHBondContact CA-OE1 3.4Å; D190-E193 WeakPolarHBondContact O-CG 3.48Å; D190-E193 PolarHBondContact O-N 3.42Å; E193-I196 PolarHBondContact O-N 3.02Å; E193-T197 VanDerWaalsContact O-CB 3.3Å; E193-T197 WeakPolarHBondContact O-CB 3.5Å; E193-T197 PolarHBondContact O-N 3.27Å; E193-T197 PolarHBondContact O-OG1 3.27Å; E193-V206 HydrophobicContact CB-CG1 4.39Å
194E88.9Confident84.2Confident126 Ų12670.1 Ų70.159%0.58935%0.35SS*.Hα-helixtrans-63.1-47.9175-74.7-171.416000112.2D190 L192 I196 T197 K198D190-E194 WeakPolarHBondContact O-CG 3.17Å; D190-E194 PolarHBondContact O-N 2.95Å; D190-E194 VanDerWaalsContact O-N 3.13Å; L192-E194 VanDerWaalsContact C-N 3.32Å; E194-I196 VanDerWaalsContact C-N 3.3Å; E194-I196 PolarHBondContact O-N 3.2Å; E194-T197 PolarHBondContact O-N 2.99Å; E194-K198 PolarHBondContact O-N 3.39Å
195E87.7Confident84.5Confident68 Ų6869.1 Ų69.132%0.31835%0.347SS..Hα-helixtrans-67.9-31-179.5-16480.788.800112I154 M191 L192 K198 F199I154-E195 HydrophobicContact CB-CG 4.47Å; I154-E195 HydrophobicContact CD1-CB 4.06Å; I154-E195 HydrophobicContact CD1-CG 3.83Å; I154-E195 HydrophobicContact CG1-CG 3.83Å; I154-E195 HydrophobicContact CG2-CB 4.36Å; I154-E195 HydrophobicContact CG2-CG 3.87Å; M191-E195 PolarHBondContact O-N 3.4Å; M191-E195 VanDerWaalsContact O-N 3.15Å; L192-E195 PolarHBondContact O-N 3.04Å; E195-K198 WeakPolarHBondContact O-CB 3.5Å; E195-K198 WeakPolarHBondContact OE2-CD 3.31Å; E195-K198 IonicContact OE2-NZ 2.62Å; E195-K198 PolarHBondContact OE2-NZ 3.23Å; E195-F199 WeakPolarHBondContact O-CD2 3.35Å; E195-F199 WeakPolarHBondContact O-CE2 3.38Å
196I87.9Confident84.9Confident0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-71.5-42172.3-62.2165000110.9F133 V135 V151 I154 W161 L192 E193 E194 K198 F199 V203 V206F133-I196 HydrophobicContact CG-CD1 4.29Å; V135-I196 HydrophobicContact CG1-CG2 4.4Å; V135-I196 HydrophobicContact CG2-CG2 4Å; V151-I196 HydrophobicContact CG1-CD1 4.3Å; V151-I196 HydrophobicContact CG1-CG1 4.19Å; V151-I196 HydrophobicContact CG2-CG2 4.05Å; I154-I196 HydrophobicContact CD1-CG1 3.67Å; W161-I196 HydrophobicContact CH2-CD1 4.12Å; L192-I196 HydrophobicContact CD1-CD1 4.4Å; L192-I196 HydrophobicContact CG-CD1 4.13Å; L192-I196 WeakPolarHBondContact O-CD1 3.3Å; L192-I196 WeakPolarHBondContact O-CG1 3.31Å; L192-I196 PolarHBondContact O-N 3.34Å; L192-I196 VanDerWaalsContact O-N 3.08Å; E193-I196 PolarHBondContact O-N 3.02Å; E194-I196 VanDerWaalsContact C-N 3.3Å; E194-I196 PolarHBondContact O-N 3.2Å; I196-K198 PolarHBondContact O-N 2.98Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 WeakPolarHBondContact O-CD2 3.33Å; I196-F199 PolarHBondContact O-N 3.4Å; I196-F199 VanDerWaalsContact O-N 3.14Å; I196-V203 HydrophobicContact CG2-CG2 4.42Å; I196-V206 HydrophobicContact CB-CG2 3.93Å; I196-V206 HydrophobicContact CD1-CG1 4.43Å; I196-V206 HydrophobicContact CG2-CG1 4.41Å; I196-V206 HydrophobicContact CG2-CG2 3.41Å; I196-V206 VanDerWaalsContact CG2-CG2 3.41Å
197T85.5Confident85.5Confident60 Ų6062.8 Ų62.837%0.36832%0.319SS..Hα-helixtrans-66-27.1-178.2-57.30000111.9E193 E194 F199 E200E193-T197 VanDerWaalsContact O-CB 3.3Å; E193-T197 WeakPolarHBondContact O-CB 3.5Å; E193-T197 PolarHBondContact O-N 3.27Å; E193-T197 PolarHBondContact O-OG1 3.27Å; E194-T197 PolarHBondContact O-N 2.99Å; T197-F199 PolarHBondContact O-N 2.91Å; T197-F199 VanDerWaalsContact O-N 3.12Å; T197-E200 WeakPolarHBondContact O-CG 3.47Å; T197-E200 PolarHBondContact O-N 3.23Å
198K88.2Confident86Confident146 Ų14666.3 Ų66.364%0.63534%0.337SS*.THydrogen-bonded Turntrans-59.1-20.8173.8-167.2178.9179-179.90114.1E194 E195 I196 E200E194-K198 PolarHBondContact O-N 3.39Å; E195-K198 WeakPolarHBondContact O-CB 3.5Å; E195-K198 WeakPolarHBondContact OE2-CD 3.31Å; E195-K198 IonicContact OE2-NZ 2.62Å; E195-K198 PolarHBondContact OE2-NZ 3.23Å; I196-K198 PolarHBondContact O-N 2.98Å; K198-E200 PolarHBondContact O-N 3.24Å
199F82.7Confident86.3Confident56 Ų5665.6 Ų65.625%0.24634%0.335CS..  trans-78.749.3168.8-61-75.6000111.4A150 I154 E195 I196 T197 D201 F202 V203A150-F199 HydrophobicContact CB-CD1 3.82Å; A150-F199 HydrophobicContact CB-CE1 3.73Å; A150-F199 HydrophobicContact CB-CE2 4.45Å; A150-F199 HydrophobicContact CB-CG 4.23Å; A150-F199 HydrophobicContact CB-CZ 4.06Å; I154-F199 HydrophobicContact CD1-CE2 3.87Å; I154-F199 HydrophobicContact CG1-CE2 3.91Å; I154-F199 HydrophobicContact CG1-CZ 4.39Å; E195-F199 WeakPolarHBondContact O-CD2 3.35Å; E195-F199 WeakPolarHBondContact O-CE2 3.38Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 WeakPolarHBondContact O-CD2 3.33Å; I196-F199 PolarHBondContact O-N 3.4Å; I196-F199 VanDerWaalsContact O-N 3.14Å; T197-F199 PolarHBondContact O-N 2.91Å; T197-F199 VanDerWaalsContact O-N 3.12Å; F199-D201 PolarHBondContact O-N 3.16Å; F199-F202 PolarHBondContact O-N 3.14Å; F199-V203 HydrophobicContact CB-CG2 4.09Å; F199-V203 WeakPolarHBondContact O-CB 3.24Å; F199-V203 PolarHBondContact O-N 2.75Å
200E78.7Confident86.6Confident145 Ų14565.5 Ų65.568%0.67834%0.337SS*.THydrogen-bonded Turntrans-57.1-21-175.6-62.6-175.8121.600113.6W138 T197 K198 F202W138-E200 PolarHBondContact NE1-O 3.2Å; T197-E200 WeakPolarHBondContact O-CG 3.47Å; T197-E200 PolarHBondContact O-N 3.23Å; K198-E200 PolarHBondContact O-N 3.24Å; E200-F202 VanDerWaalsContact C-N 3.34Å
201D81.3Confident86.7Confident127 Ų12766 Ų6668%0.67934%0.336SS*.THydrogen-bonded Turntrans-65.5-36.7175.5-165.4-116.7000112.1F199F199-D201 PolarHBondContact O-N 3.16Å
202F79.1Confident86.9Confident35 Ų3567.1 Ų67.115%0.15434%0.343CS..THydrogen-bonded Turntrans-106-31.5-178.2-55.1-76.5000112.5P137 T142 E146 M147 F199 E200P137-F202 VanDerWaalsContact CA-O 3.29Å; P137-F202 WeakPolarHBondContact CA-O 3.41Å; T142-F202 HydrophobicContact CG2-CB 4.06Å; T142-F202 HydrophobicContact CG2-CD1 3.88Å; T142-F202 HydrophobicContact CG2-CG 4.49Å; E146-F202 HydrophobicContact CG-CE1 4.46Å; E146-F202 HydrophobicContact CG-CZ 4.18Å; E146-F202 VanDerWaalsContact OE1-CZ 3.3Å; E146-F202 WeakPolarHBondContact OE1-CZ 3.5Å; M147-F202 HydrophobicContact CB-CB 4.17Å; M147-F202 HydrophobicContact CG-CB 4.05Å; M147-F202 HydrophobicContact SD-CB 4.33Å; F199-F202 PolarHBondContact O-N 3.14Å; E200-F202 VanDerWaalsContact C-N 3.34Å
203V84.5Confident86.8Confident6 Ų674.2 Ų74.24%0.03637%0.374CS..EExtended strand (participates in β ladder)trans-104.3119.8-168.8-177.60000110.9V135 M147 I196 F199 V206V135-V203 HydrophobicContact CG1-CB 4.08Å; V135-V203 HydrophobicContact CG1-CG1 3.61Å; V135-V203 HydrophobicContact CG1-CG2 3.45Å; V135-V203 VanDerWaalsContact CG1-CG2 3.45Å; M147-V203 HydrophobicContact CG-CG2 4.34Å; M147-V203 HydrophobicContact SD-CG2 4.12Å; I196-V203 HydrophobicContact CG2-CG2 4.42Å; F199-V203 HydrophobicContact CB-CG2 4.09Å; F199-V203 WeakPolarHBondContact O-CB 3.24Å; F199-V203 PolarHBondContact O-N 2.75Å; V203-V206 HydrophobicContact CG1-CG2 3.67Å
204Q83.2Confident86.3Confident100 Ų10078.8 Ų78.847%0.46740%0.399SS..EExtended strand (participates in β ladder)trans-81.4-44.3170.2175.5-176.595.900111.5K136 W138K136-Q204 WeakPolarHBondContact O-CB 3.14Å; K136-Q204 PolarHBondContact O-N 3.24Å; W138-Q204 HydrophobicContact CD2-CB 4.25Å; W138-Q204 HydrophobicContact CG-CB 4.42Å
205S88.2Confident86.2Confident34 Ų3476.4 Ų76.424%0.23839%0.39CS..EExtended strand (participates in β ladder)trans-155.5151.217879.40000111.4K136 D207K136-S205 PolarHBondContact N-O 3.16Å; K136-S205 PolarHBondContact NZ-OG 2.99Å; K136-S205 PolarHBondContact O-N 3.46Å; S205-D207 PolarHBondContact OG-OD2 3.22Å
206V89.6Confident86.1Confident24 Ų2476.8 Ų76.815%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-114.1129.2171.1-174.90000108F133 E193 I196 V203F133-V206 HydrophobicContact CB-CG1 4.35Å; F133-V206 HydrophobicContact CD1-CG1 3.71Å; F133-V206 HydrophobicContact CE1-CG1 4.5Å; F133-V206 HydrophobicContact CG-CG1 4.43Å; E193-V206 HydrophobicContact CB-CG1 4.39Å; I196-V206 HydrophobicContact CB-CG2 3.93Å; I196-V206 HydrophobicContact CD1-CG1 4.43Å; I196-V206 HydrophobicContact CG2-CG1 4.41Å; I196-V206 HydrophobicContact CG2-CG2 3.41Å; I196-V206 VanDerWaalsContact CG2-CG2 3.41Å; V203-V206 HydrophobicContact CG1-CG2 3.67Å
207D92Very high86Confident71 Ų7181.1 Ų81.138%0.3842%0.415SS..EExtended strand (participates in β ladder)trans-125.5143.9175.7-68.3-92.1000110.1F133 D134 K136 S205 A209F133-D207 CarbonylContact C-O 3.55Å; F133-D207 WeakPolarHBondContact CA-O 3.29Å; D134-D207 HydrophobicContact CB-CB 4.43Å; D134-D207 PolarHBondContact N-O 3.29Å; D134-D207 PolarHBondContact O-N 2.69Å; K136-D207 IonicContact NZ-OD2 2.73Å; K136-D207 PolarHBondContact NZ-OD2 2.52Å; S205-D207 PolarHBondContact OG-OD2 3.22Å; D207-A209 PolarHBondContact O-N 3.27Å
208I91.4Very high86.1Confident76 Ų7682.4 Ų82.439%0.3942%0.418SS..EExtended strand (participates in β ladder)trans-80108170.5-62.1171.1000108.2V131 F133 F211V131-I208 HydrophobicContact CG1-CG2 4.12Å; F133-I208 HydrophobicContact CD1-CG1 4.14Å; F133-I208 HydrophobicContact CE1-CD1 4.46Å; F133-I208 HydrophobicContact CE1-CG1 3.78Å; I208-F211 HydrophobicContact CG2-CB 4.2Å
209A89.4Confident85.9Confident46 Ų4678.4 Ų78.438%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-77.9-36.717800000112.4I132 D134 D207I132-A209 HydrophobicContact CB-CB 4.29Å; I132-A209 HydrophobicContact CG2-CB 3.94Å; I132-A209 WeakPolarHBondContact O-CB 3.4Å; I132-A209 PolarHBondContact O-N 3.06Å; D134-A209 HydrophobicContact CB-CB 4.29Å; D207-A209 PolarHBondContact O-N 3.27Å
210A90.4Very high86.2Confident31 Ų3179.9 Ų79.926%0.25642%0.415SS..EExtended strand (participates in β ladder)trans-155142.1175.400000110.7V131 I132V131-A210 CarbonylContact C-O 3.6Å; V131-A210 WeakPolarHBondContact CA-O 3.25Å; I132-A210 HydrophobicContact CB-CB 4.09Å; I132-A210 HydrophobicContact CD1-CB 3.99Å; I132-A210 HydrophobicContact CG1-CB 4.14Å; I132-A210 PolarHBondContact N-O 3.47Å; I132-A210 PolarHBondContact O-N 3.49Å
211F90.9Very high86.7Confident100 Ų10075.2 Ų75.244%0.43940%0.397SS..EExtended strand (participates in β ladder)trans-128.7114.4172.6-178.7-87.2000108S129 V131 T189 I208S129-F211 VanDerWaalsContact OG-CZ 3.26Å; S129-F211 WeakPolarHBondContact OG-CZ 3.22Å; V131-F211 HydrophobicContact CB-CD2 4.43Å; V131-F211 HydrophobicContact CG1-CD2 4.23Å; V131-F211 HydrophobicContact CG2-CD2 3.5Å; V131-F211 HydrophobicContact CG2-CE2 3.72Å; T189-F211 HydrophobicContact CG2-CD2 3.91Å; T189-F211 HydrophobicContact CG2-CE2 3.62Å; I208-F211 HydrophobicContact CG2-CB 4.2Å
212N90.5Very high87.1Confident97 Ų9771.2 Ų71.252%0.51938%0.375SS..EExtended strand (participates in β ladder)trans-121.4115.9179.5-67.8-80.9000109.3S129 T130S129-N212 CarbonylContact C-O 3.51Å; S129-N212 WeakPolarHBondContact CA-O 3.24Å; T130-N212 PolarHBondContact N-O 3.46Å; T130-N212 PolarHBondContact O-N 3.44Å
213K86.3Confident87.8Confident149 Ų14974.3 Ų74.365%0.64839%0.393SS*.EExtended strand (participates in β ladder)trans-75.9130.5170.7-169.8175.5-175.4176.30109.7
214L77.1Confident88.1Confident157 Ų15780.5 Ų80.582%0.82243%0.426SS*.  trans-93.70174.4-173.163.1000111.5K128K128-L214 HydrophobicContact CB-CB 4.28Å; K128-L214 HydrophobicContact CB-CD2 4.36Å; K128-L214 WeakPolarHBondContact O-CA 3.05Å; K128-L214 WeakPolarHBondContact O-CB 3.32Å; K128-L214 PolarHBondContact O-N 3.13Å

Retrieved 214 of 214 residues in 365.7 ms (Link to these results)

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