A0A096MIE9_POEFO Loading...

Thymopoietin b

AlphaFold DB , UniProt , Accession A0A096MIE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 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
1M56.1Low81.2Confident214 Ų21488.7 Ų88.7100%1.05448%0.479SS*.  0148.20-62.1169.579.700107.3
2A61.2Low82.3Confident58 Ų5887.8 Ų87.848%0.47948%0.478SS..PPolyproline II helixtrans-56.4143.3-177.900000112.5K52A2-K52 PolarHBondContact O-NZ 3.4Å
3E78.9Confident83.3Confident152 Ų15284.4 Ų84.471%0.7146%0.456SS*.PPolyproline II helixtrans-93.1138.3172.8-173.8176.4176.100108.9
4F83.8Confident84Confident3 Ų384.4 Ų84.41%0.01346%0.456CS..PPolyproline II helixtrans-99.3134.9-176.8-61.5-61.8000110.5E6 E19 H23 Y41 L45 Q48F4-E6 PolarHBondContact O-N 3.2Å; F4-E19 HydrophobicContact CD1-CG 4.47Å; F4-E19 HydrophobicContact CE1-CG 4.31Å; F4-H23 AromaticContact CE1-CD2 3.6Å; F4-H23 AromaticContact CE1-NE2 3.59Å; F4-H23 AromaticContact CZ-CD2 3.67Å; F4-H23 AromaticContact CZ-CE1 3.57Å; F4-H23 AromaticContact CZ-CG 3.88Å; F4-H23 AromaticContact CZ-ND1 3.8Å; F4-H23 AromaticContact CZ-NE2 3.45Å; F4-H23 WeakPolarHBondContact CZ-NE2 3.16Å; F4-Y41 HydrophobicContact CB-CE1 4.13Å; F4-L45 HydrophobicContact CB-CB 4.23Å; F4-L45 HydrophobicContact CD1-CB 3.85Å; F4-L45 HydrophobicContact CD1-CD1 4.06Å; F4-L45 HydrophobicContact CD1-CG 4.42Å; F4-L45 HydrophobicContact CD2-CB 3.99Å; F4-L45 WeakPolarHBondContact CD2-O 3.45Å; F4-L45 HydrophobicContact CE1-CB 4.13Å; F4-L45 HydrophobicContact CE1-CD1 4.02Å; F4-L45 HydrophobicContact CE1-CD2 4.17Å; F4-L45 HydrophobicContact CE1-CG 4.33Å; F4-L45 HydrophobicContact CE2-CB 4.25Å; F4-L45 HydrophobicContact CG-CB 3.76Å; F4-L45 HydrophobicContact CZ-CB 4.3Å; F4-L45 HydrophobicContact CZ-CD2 4.06Å; F4-Q48 HydrophobicContact CD2-CB 4.18Å; F4-Q48 HydrophobicContact CE2-CB 3.74Å; F4-Q48 HydrophobicContact CE2-CG 4.48Å
5L83.8Confident84.7Confident83 Ų8387.4 Ų87.444%0.43546%0.463SS..PPolyproline II helixtrans-67.1129.9178.5-93.364.7000110.5D7 L11 Y41L5-D7 PolarHBondContact O-N 2.93Å; L5-L11 HydrophobicContact CD2-CD2 4.26Å; L5-L11 HydrophobicContact CD2-CG 4.38Å; L5-Y41 PolarHBondContact N-OH 3.42Å; L5-Y41 VanDerWaalsContact N-OH 3.15Å; L5-Y41 WeakPolarHBondContact O-CE1 3.32Å
6E84.5Confident85.3Confident143 Ų14381.9 Ų81.967%0.66843%0.434SS*.SBendtrans-67.5-28.9172.2-57.8-172.1152.700111.7F4 P8 L42F4-E6 PolarHBondContact O-N 3.2Å; E6-P8 WeakPolarHBondContact O-CD 3.37Å; E6-L42 WeakPolarHBondContact O-CD2 3.33Å
7D85.1Confident85.7Confident114 Ų11479.3 Ų79.361%0.6142%0.418SS*.  trans-108.274.6173.9-89.3-47.7000112.8L5 S9 V10L5-D7 PolarHBondContact O-N 2.93Å; D7-S9 PolarHBondContact O-N 2.97Å; D7-V10 PolarHBondContact O-N 3.42Å
8P88.4Confident86.2Confident1 Ų180.7 Ų80.71%0.00643%0.426CS..G310 helixtrans-66.6-4.3173.524-28.7000113.6E6 V10 L11 L16 V38 Y41 L42E6-P8 WeakPolarHBondContact O-CD 3.37Å; P8-V10 PolarHBondContact O-N 3.21Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 PolarHBondContact O-N 3.03Å; P8-L16 HydrophobicContact CB-CD2 3.7Å; P8-V38 HydrophobicContact CB-CG1 4.45Å; P8-V38 HydrophobicContact CG-CG1 4.06Å; P8-Y41 HydrophobicContact CB-CD1 3.58Å; P8-Y41 HydrophobicContact CB-CD2 4.17Å; P8-Y41 HydrophobicContact CB-CE1 4Å; P8-Y41 HydrophobicContact CB-CG 3.69Å; P8-Y41 HydrophobicContact CG-CD1 3.66Å; P8-Y41 HydrophobicContact CG-CE1 4.28Å; P8-Y41 HydrophobicContact CG-CG 4.07Å; P8-L42 HydrophobicContact CG-CD1 4.39Å; P8-L42 HydrophobicContact CG-CD2 3.6Å; P8-L42 HydrophobicContact CG-CG 3.62Å
9S88.8Confident86.5Confident62 Ų6279.5 Ų79.543%0.43442%0.418SS..G310 helixtrans-57.6-29.1170.962.30000112.8D7 K34D7-S9 PolarHBondContact O-N 2.97Å; S9-K34 WeakPolarHBondContact O-CE 3.33Å; S9-K34 PolarHBondContact O-NZ 3.16Å
10V91.8Very high86.8Confident115 Ų11575.5 Ų75.570%0.69740%0.397SS*.G310 helixtrans-75.3-26.6178.7-174.60000112.4D7 P8D7-V10 PolarHBondContact O-N 3.42Å; P8-V10 PolarHBondContact O-N 3.21Å
11L90.5Very high87.1Confident31 Ų3175.3 Ų75.316%0.16240%0.399CS..SBendtrans-72.2152.1-175.7-63.3173.8000112.5L5 P8 K15 L16 K34 Y41L5-L11 HydrophobicContact CD2-CD2 4.26Å; L5-L11 HydrophobicContact CD2-CG 4.38Å; P8-L11 HydrophobicContact CB-CD1 4.28Å; P8-L11 PolarHBondContact O-N 3.03Å; L11-K15 HydrophobicContact CB-CB 4.4Å; L11-K15 HydrophobicContact CD2-CD 4.32Å; L11-L16 HydrophobicContact CB-CD1 4.45Å; L11-L16 HydrophobicContact CB-CD2 3.82Å; L11-L16 HydrophobicContact CB-CG 3.84Å; L11-L16 HydrophobicContact CD1-CD2 3.71Å; L11-L16 HydrophobicContact CD1-CG 4.49Å; L11-L16 HydrophobicContact CG-CD2 4.38Å; L11-K34 WeakPolarHBondContact O-CE 3.47Å; L11-K34 PolarHBondContact O-NZ 3.37Å; L11-Y41 HydrophobicContact CD1-CD2 4.32Å; L11-Y41 HydrophobicContact CD1-CE2 3.67Å
12T95.1Very high88.8Confident77 Ų7768.3 Ų68.347%0.47238%0.375SS..  trans-73.9155.8171.559.10000110.6D14 K15 L16T12-D14 PolarHBondContact O-N 3.06Å; T12-D14 VanDerWaalsContact O-N 3.16Å; T12-K15 PolarHBondContact O-N 2.95Å; T12-K15 VanDerWaalsContact O-N 3.16Å; T12-K15 WeakPolarHBondContact OG1-CB 3.45Å; T12-K15 WeakPolarHBondContact OG1-CG 3.27Å; T12-K15 PolarHBondContact OG1-N 2.68Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 3.36Å
13K94.4Very high90.1Very high44 Ų4468.8 Ų68.819%0.19137%0.367CS..Hα-helixtrans-51.2-41179.7176.5174.7161.6-1790111.8L16 K17 D31 Q32 K34 Y37K13-L16 WeakPolarHBondContact O-CB 3.31Å; K13-L16 PolarHBondContact O-N 3.07Å; K13-K17 WeakPolarHBondContact O-CG 3.03Å; K13-K17 PolarHBondContact O-N 3.47Å; K13-D31 WeakPolarHBondContact CE-OD1 3.4Å; K13-D31 PolarHBondContact NZ-O 3.31Å; K13-D31 IonicContact NZ-OD1 2.67Å; K13-D31 PolarHBondContact NZ-OD1 3.3Å; K13-D31 IonicContact NZ-OD2 2.97Å; K13-D31 PolarHBondContact NZ-OD2 3.44Å; K13-Q32 WeakPolarHBondContact CE-O 3.43Å; K13-Q32 PolarHBondContact NZ-O 2.91Å; K13-K34 HydrophobicContact CB-CB 4.36Å; K13-Y37 HydrophobicContact CD-CE2 4.47Å; K13-Y37 HydrophobicContact CG-CD2 4.16Å; K13-Y37 HydrophobicContact CG-CE2 4.3Å
14D93.9Very high90.7Very high84 Ų8468.6 Ų68.645%0.44937%0.371SS..Hα-helixtrans-84.2-26.7-175.3-45.4-69.4000112.8T12 L16 K17 N18T12-D14 PolarHBondContact O-N 3.06Å; T12-D14 VanDerWaalsContact O-N 3.16Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-K17 PolarHBondContact O-N 3.16Å; D14-K17 IonicContact OD1-NZ 2.74Å; D14-K17 PolarHBondContact OD1-NZ 3.45Å; D14-N18 WeakPolarHBondContact O-CB 3.42Å; D14-N18 PolarHBondContact O-N 2.99Å; D14-N18 PolarHBondContact O-OD1 3.38Å
15K93.9Very high91Very high130 Ų13069.2 Ų69.257%0.56538%0.375SS*.Hα-helixtrans-62.2-41164.6-78.4-177.8177.3-171.30111.3L11 T12 N18 E19L11-K15 HydrophobicContact CB-CB 4.4Å; L11-K15 HydrophobicContact CD2-CD 4.32Å; T12-K15 PolarHBondContact O-N 2.95Å; T12-K15 VanDerWaalsContact O-N 3.16Å; T12-K15 WeakPolarHBondContact OG1-CB 3.45Å; T12-K15 WeakPolarHBondContact OG1-CG 3.27Å; T12-K15 PolarHBondContact OG1-N 2.68Å; K15-N18 PolarHBondContact O-N 2.97Å; K15-E19 PolarHBondContact O-N 3.03Å
16L93.9Very high91.2Very high0 Ų070.5 Ų70.50%039%0.388CS..Hα-helixtrans-63.8-46.2175.4-65.2164000111.7P8 L11 T12 K13 D14 N18 E19 L20 K34 V38 Y41P8-L16 HydrophobicContact CB-CD2 3.7Å; L11-L16 HydrophobicContact CB-CD1 4.45Å; L11-L16 HydrophobicContact CB-CD2 3.82Å; L11-L16 HydrophobicContact CB-CG 3.84Å; L11-L16 HydrophobicContact CD1-CD2 3.71Å; L11-L16 HydrophobicContact CD1-CG 4.49Å; L11-L16 HydrophobicContact CG-CD2 4.38Å; T12-L16 WeakPolarHBondContact O-CG 3.3Å; T12-L16 PolarHBondContact O-N 3.36Å; K13-L16 WeakPolarHBondContact O-CB 3.31Å; K13-L16 PolarHBondContact O-N 3.07Å; D14-L16 VanDerWaalsContact C-N 3.32Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.45Å; L16-E19 PolarHBondContact O-N 2.75Å; L16-L20 WeakPolarHBondContact O-CB 3.17Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.15Å; L16-K34 HydrophobicContact CD1-CG 4.07Å; L16-V38 HydrophobicContact CD1-CG2 3.48Å; L16-V38 VanDerWaalsContact CD1-CG2 3.48Å; L16-Y41 HydrophobicContact CD2-CD2 3.5Å; L16-Y41 HydrophobicContact CD2-CE2 4.17Å; L16-Y41 HydrophobicContact CD2-CG 4.02Å
17K93.3Very high91.4Very high37 Ų3766.8 Ų66.816%0.16137%0.373CS..Hα-helixtrans-54.9-48.9173.1-71.9174.5-176.71650111.6K13 D14 L20 T21 L27 D31 Y37K13-K17 WeakPolarHBondContact O-CG 3.03Å; K13-K17 PolarHBondContact O-N 3.47Å; D14-K17 PolarHBondContact O-N 3.16Å; D14-K17 IonicContact OD1-NZ 2.74Å; D14-K17 PolarHBondContact OD1-NZ 3.45Å; K17-L20 PolarHBondContact O-N 3.41Å; K17-T21 PolarHBondContact O-N 3.4Å; K17-T21 PolarHBondContact O-OG1 2.84Å; K17-L27 HydrophobicContact CB-CD1 4.11Å; K17-L27 HydrophobicContact CG-CD1 4.15Å; K17-D31 VanDerWaalsContact CE-OD1 3.3Å; K17-D31 WeakPolarHBondContact CE-OD1 3.45Å; K17-D31 IonicContact NZ-OD1 2.75Å; K17-D31 PolarHBondContact NZ-OD1 3.2Å; K17-Y37 HydrophobicContact CG-CD1 3.94Å; K17-Y37 HydrophobicContact CG-CE1 3.85Å; K17-Y37 HydrophobicContact CG-CG 4.45Å
18N93.4Very high91.6Very high105 Ų10563.2 Ų63.256%0.56136%0.356SS*.Hα-helixtrans-65.6-41.8-176.3-691.2000112.5D14 K15 L16 L20 T21 A22D14-N18 WeakPolarHBondContact O-CB 3.42Å; D14-N18 PolarHBondContact O-N 2.99Å; D14-N18 PolarHBondContact O-OD1 3.38Å; K15-N18 PolarHBondContact O-N 2.97Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.45Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-T21 PolarHBondContact O-N 3.02Å; N18-T21 PolarHBondContact O-OG1 3.34Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; N18-A22 VanDerWaalsContact O-CB 3.27Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 2.94Å
19E92Very high91.1Very high57 Ų5768.6 Ų68.627%0.26639%0.393SS..Hα-helixtrans-65.8-40.5177-157.878.6175.700111.4F4 K15 L16 A22 H23 Y41 L45F4-E19 HydrophobicContact CD1-CG 4.47Å; F4-E19 HydrophobicContact CE1-CG 4.31Å; K15-E19 PolarHBondContact O-N 3.03Å; L16-E19 PolarHBondContact O-N 2.75Å; E19-A22 PolarHBondContact O-N 2.81Å; E19-H23 PolarHBondContact O-N 3.34Å; E19-Y41 HydrophobicContact CB-CD2 4.35Å; E19-Y41 HydrophobicContact CB-CE2 3.91Å; E19-Y41 HydrophobicContact CG-CD2 4.49Å; E19-Y41 HydrophobicContact CG-CE2 3.73Å; E19-L45 HydrophobicContact CB-CD1 4.34Å; E19-L45 HydrophobicContact CG-CD1 3.76Å
20L92.9Very high90.7Very high0 Ų068.5 Ų68.50%040%0.402CS..Hα-helixtrans-62.6-45176.6-73.9165.9000111.7L16 K17 N18 H23 N24 V25 L27 Y37 L40 L45L16-L20 WeakPolarHBondContact O-CB 3.17Å; L16-L20 VanDerWaalsContact O-CD1 3.31Å; L16-L20 WeakPolarHBondContact O-CD1 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.35Å; L16-L20 PolarHBondContact O-N 3.15Å; K17-L20 PolarHBondContact O-N 3.41Å; N18-L20 VanDerWaalsContact C-N 3.34Å; L20-H23 CarbonylContact O-C 3.34Å; L20-H23 PolarHBondContact O-N 3.06Å; L20-N24 PolarHBondContact O-N 3.28Å; L20-V25 HydrophobicContact CB-CB 4.24Å; L20-V25 HydrophobicContact CD2-CB 3.88Å; L20-V25 HydrophobicContact CD2-CG1 3.93Å; L20-V25 HydrophobicContact CD2-CG2 4.05Å; L20-V25 WeakPolarHBondContact O-CB 3.15Å; L20-V25 PolarHBondContact O-N 2.73Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CD1-CD2 4.05Å; L20-Y37 HydrophobicContact CD1-CD1 4.15Å; L20-L40 HydrophobicContact CD1-CB 4.15Å; L20-L40 HydrophobicContact CD1-CD2 4.17Å; L20-L40 HydrophobicContact CD1-CG 4.4Å; L20-L40 HydrophobicContact CD2-CB 4.22Å; L20-L40 HydrophobicContact CD2-CD2 4.33Å; L20-L40 HydrophobicContact CD2-CG 4Å; L20-L45 HydrophobicContact CD2-CD1 4.47Å
21T92.4Very high90.3Very high72 Ų7268.4 Ų68.444%0.44240%0.398SS..Hα-helixtrans-69.8-38.4176.752.40000112.5K17 N18 H23 N24 L27K17-T21 PolarHBondContact O-N 3.4Å; K17-T21 PolarHBondContact O-OG1 2.84Å; N18-T21 PolarHBondContact O-N 3.02Å; N18-T21 PolarHBondContact O-OG1 3.34Å; N18-T21 VanDerWaalsContact O-OG1 3.06Å; T21-H23 PolarHBondContact O-N 2.72Å; T21-N24 PolarHBondContact O-N 3.16Å; T21-L27 HydrophobicContact CG2-CD1 3.72Å; T21-L27 HydrophobicContact CG2-CD2 4.29Å; T21-L27 HydrophobicContact CG2-CG 3.83Å
22A91.8Very high90.2Very high66 Ų6670.5 Ų70.555%0.54541%0.406SS..Hα-helixtrans-60.1-33.2174.100000112.4N18 E19 N24N18-A22 VanDerWaalsContact O-CB 3.27Å; N18-A22 WeakPolarHBondContact O-CB 3.46Å; N18-A22 PolarHBondContact O-N 2.94Å; E19-A22 PolarHBondContact O-N 2.81Å; A22-N24 VanDerWaalsContact C-N 3.35Å
23H90Very high90.2Very high68 Ų6874.2 Ų74.232%0.31542%0.416SS..THydrogen-bonded Turntrans-94.420.9173.7-78.7-76.3000114.6F4 E19 L20 T21 V25 L45F4-H23 AromaticContact CE1-CD2 3.6Å; F4-H23 AromaticContact CE1-NE2 3.59Å; F4-H23 AromaticContact CZ-CD2 3.67Å; F4-H23 AromaticContact CZ-CE1 3.57Å; F4-H23 AromaticContact CZ-CG 3.88Å; F4-H23 AromaticContact CZ-ND1 3.8Å; F4-H23 AromaticContact CZ-NE2 3.45Å; F4-H23 WeakPolarHBondContact CZ-NE2 3.16Å; E19-H23 PolarHBondContact O-N 3.34Å; L20-H23 CarbonylContact O-C 3.34Å; L20-H23 PolarHBondContact O-N 3.06Å; T21-H23 PolarHBondContact O-N 2.72Å; H23-V25 PolarHBondContact O-N 3.18Å; H23-L45 HydrophobicContact CB-CD2 3.56Å
24N90.4Very high90.2Very high148 Ų14876 Ų7679%0.79142%0.424SS*.THydrogen-bonded Turntrans58.125.6173.7-57.7-82.9000114.6L20 T21 A22L20-N24 PolarHBondContact O-N 3.28Å; T21-N24 PolarHBondContact O-N 3.16Å; A22-N24 VanDerWaalsContact C-N 3.35Å
25V90.3Very high90.1Very high16 Ų1677.9 Ų77.910%0.09743%0.43CS..PPolyproline II helixtrans-84.9121.8175.6-1710000109L20 H23 L27 L40 N44 L45L20-V25 HydrophobicContact CB-CB 4.24Å; L20-V25 HydrophobicContact CD2-CB 3.88Å; L20-V25 HydrophobicContact CD2-CG1 3.93Å; L20-V25 HydrophobicContact CD2-CG2 4.05Å; L20-V25 WeakPolarHBondContact O-CB 3.15Å; L20-V25 PolarHBondContact O-N 2.73Å; H23-V25 PolarHBondContact O-N 3.18Å; V25-L27 PolarHBondContact O-N 3.15Å; V25-L40 HydrophobicContact CG1-CD1 4.25Å; V25-L40 HydrophobicContact CG1-CD2 3.92Å; V25-L40 HydrophobicContact CG1-CG 3.87Å; V25-N44 HydrophobicContact CG1-CB 4.45Å; V25-N44 HydrophobicContact CG2-CB 3.87Å; V25-L45 HydrophobicContact CG2-CD2 4.46Å
26P87.7Confident90.1Very high111 Ų11174 Ų7472%0.72142%0.417SS*.PPolyproline II helixtrans-65.8128-179.226.3-33.9000110.8
27L89Confident90.1Very high65 Ų6574.1 Ų74.134%0.3442%0.418SS..PPolyproline II helixtrans-74.9142.7175.5-59.9-174.5000110.5K17 L20 T21 V25 Y37K17-L27 HydrophobicContact CB-CD1 4.11Å; K17-L27 HydrophobicContact CG-CD1 4.15Å; L20-L27 HydrophobicContact CB-CD2 3.76Å; L20-L27 HydrophobicContact CD1-CD2 4.05Å; T21-L27 HydrophobicContact CG2-CD1 3.72Å; T21-L27 HydrophobicContact CG2-CD2 4.29Å; T21-L27 HydrophobicContact CG2-CG 3.83Å; V25-L27 PolarHBondContact O-N 3.15Å; L27-Y37 HydrophobicContact CD2-CD1 4.17Å; L27-Y37 HydrophobicContact CD2-CE1 4.17Å
28P88.8Confident90.2Very high39 Ų3973.5 Ų73.525%0.25342%0.417SS..PPolyproline II helixtrans-69.1145.9174.531.8-36.9000110.8Q32 V36 Y37P28-Q32 HydrophobicContact CG-CG 4.32Å; P28-V36 HydrophobicContact CG-CG1 4.11Å; P28-Y37 HydrophobicContact CG-CE1 4.18Å
29S78.5Confident90.2Very high113 Ų11374.9 Ų74.979%0.7942%0.42SS*.SBendtrans-59.8136.8-176.2-52.90000112.9Q32S29-Q32 PolarHBondContact O-NE2 3.31Å
30G81.4Confident90.3Very high60 Ų6074 Ų7462%0.61942%0.417SS*.SBendtrans78.5172.5-179.300000113.8Q32 Y37G30-Q32 PolarHBondContact O-N 2.97Å; G30-Q32 VanDerWaalsContact O-N 3.16Å; G30-Y37 PolarHBondContact O-OH 2.84Å
31D82.9Confident90.3Very high114 Ų11474.2 Ų74.261%0.6142%0.418SS*.SBendtrans-9377.4-169-161.329.5000112.3K13 K17K13-D31 WeakPolarHBondContact CE-OD1 3.4Å; K13-D31 PolarHBondContact NZ-O 3.31Å; K13-D31 IonicContact NZ-OD1 2.67Å; K13-D31 PolarHBondContact NZ-OD1 3.3Å; K13-D31 IonicContact NZ-OD2 2.97Å; K13-D31 PolarHBondContact NZ-OD2 3.44Å; K17-D31 VanDerWaalsContact CE-OD1 3.3Å; K17-D31 WeakPolarHBondContact CE-OD1 3.45Å; K17-D31 IonicContact NZ-OD1 2.75Å; K17-D31 PolarHBondContact NZ-OD1 3.2Å
32Q88.8Confident90.3Very high74 Ų7474.2 Ų74.235%0.34642%0.415SS..  trans-74.3177.5-165.3-52.3-156.7-4.300114.4K13 P28 S29 G30 V36 Y37K13-Q32 WeakPolarHBondContact CE-O 3.43Å; K13-Q32 PolarHBondContact NZ-O 2.91Å; P28-Q32 HydrophobicContact CG-CG 4.32Å; S29-Q32 PolarHBondContact O-NE2 3.31Å; G30-Q32 PolarHBondContact O-N 2.97Å; G30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-V36 HydrophobicContact CB-CB 4.48Å; Q32-V36 HydrophobicContact CB-CG2 4.33Å; Q32-Y37 HydrophobicContact CB-CE2 4.05Å; Q32-Y37 PolarHBondContact N-OH 3.25Å; Q32-Y37 VanDerWaalsContact N-OH 3.15Å
33K94.1Very high90.3Very high156 Ų15678.2 Ų78.268%0.67842%0.419SS*.  trans-63.2146.1175.8-67.2-174.8178.7-176.20111E35 V36 Y37K33-E35 PolarHBondContact O-N 3.37Å; K33-E35 VanDerWaalsContact O-N 3.13Å; K33-V36 PolarHBondContact O-N 3.28Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å
34K94.3Very high90.2Very high81 Ų8177.5 Ų77.535%0.35242%0.418SS..Hα-helixtrans-48.2-42.9176.1170173.1160.5172.10112.2S9 L11 K13 L16 V36 Y37 V38S9-K34 WeakPolarHBondContact O-CE 3.33Å; S9-K34 PolarHBondContact O-NZ 3.16Å; L11-K34 WeakPolarHBondContact O-CE 3.47Å; L11-K34 PolarHBondContact O-NZ 3.37Å; K13-K34 HydrophobicContact CB-CB 4.36Å; L16-K34 HydrophobicContact CD1-CG 4.07Å; K34-V36 PolarHBondContact O-N 2.9Å; K34-Y37 PolarHBondContact O-N 3.18Å; K34-V38 HydrophobicContact CG-CG2 3.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.48Å; K34-V38 PolarHBondContact O-N 2.95Å
35E92.9Very high90Very high124 Ų12470.4 Ų70.458%0.57938%0.38SS*.Hα-helixtrans-52.9-35.6-179.9-66.9161.6176.700113.9K33 V38 Q39K33-E35 PolarHBondContact O-N 3.37Å; K33-E35 VanDerWaalsContact O-N 3.13Å; E35-V38 WeakPolarHBondContact O-CB 3.03Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.89Å
36V94.3Very high89.6Confident47 Ų4771 Ų7129%0.28538%0.384SS..Hα-helixtrans-67.3-42.1179.1-173.80000110.4P28 Q32 K33 K34 Q39 L40P28-V36 HydrophobicContact CG-CG1 4.11Å; Q32-V36 HydrophobicContact CB-CB 4.48Å; Q32-V36 HydrophobicContact CB-CG2 4.33Å; K33-V36 PolarHBondContact O-N 3.28Å; K34-V36 PolarHBondContact O-N 2.9Å; V36-Q39 PolarHBondContact O-N 3.29Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 PolarHBondContact O-N 3.28Å
37Y93.9Very high89Confident4 Ų470 Ų702%0.01637%0.372CS..Hα-helixtrans-70.5-33.1175.4-53.4-81.8000111.8K13 K17 L20 L27 P28 G30 Q32 K33 K34 L40 Y41K13-Y37 HydrophobicContact CD-CE2 4.47Å; K13-Y37 HydrophobicContact CG-CD2 4.16Å; K13-Y37 HydrophobicContact CG-CE2 4.3Å; K17-Y37 HydrophobicContact CG-CD1 3.94Å; K17-Y37 HydrophobicContact CG-CE1 3.85Å; K17-Y37 HydrophobicContact CG-CG 4.45Å; L20-Y37 HydrophobicContact CD1-CD1 4.15Å; L27-Y37 HydrophobicContact CD2-CD1 4.17Å; L27-Y37 HydrophobicContact CD2-CE1 4.17Å; P28-Y37 HydrophobicContact CG-CE1 4.18Å; G30-Y37 PolarHBondContact O-OH 2.84Å; Q32-Y37 HydrophobicContact CB-CE2 4.05Å; Q32-Y37 PolarHBondContact N-OH 3.25Å; Q32-Y37 VanDerWaalsContact N-OH 3.15Å; K33-Y37 WeakPolarHBondContact O-CD2 3.4Å; K34-Y37 PolarHBondContact O-N 3.18Å; Y37-L40 PolarHBondContact O-N 3.34Å; Y37-Y41 WeakPolarHBondContact O-CB 3.07Å; Y37-Y41 PolarHBondContact O-N 3.15Å
38V94.8Very high88.3Confident23 Ų2370 Ų7014%0.13937%0.37CS..Hα-helixtrans-62-48.3171.1175.10000110.8P8 L16 K34 E35 L40 Y41 L42P8-V38 HydrophobicContact CB-CG1 4.45Å; P8-V38 HydrophobicContact CG-CG1 4.06Å; L16-V38 HydrophobicContact CD1-CG2 3.48Å; L16-V38 VanDerWaalsContact CD1-CG2 3.48Å; K34-V38 HydrophobicContact CG-CG2 3.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.48Å; K34-V38 PolarHBondContact O-N 2.95Å; E35-V38 WeakPolarHBondContact O-CB 3.03Å; E35-V38 PolarHBondContact O-N 2.95Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.92Å; V38-Y41 WeakPolarHBondContact O-CB 3.41Å; V38-Y41 PolarHBondContact O-N 3.16Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.36Å
39Q93.5Very high87.5Confident134 Ų13469.7 Ų69.763%0.62637%0.366SS*.Hα-helixtrans-62.9-39.6176.6-72.5175.91000112E35 V36 L42 K43E35-Q39 WeakPolarHBondContact O-CG 3.3Å; E35-Q39 PolarHBondContact O-N 2.89Å; V36-Q39 PolarHBondContact O-N 3.29Å; Q39-L42 PolarHBondContact O-N 3.47Å; Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 PolarHBondContact O-N 3.32Å
40L93.9Very high86.9Confident40 Ų4070.3 Ų70.321%0.20936%0.36CS..Hα-helixtrans-70.3-32.1178.9-16164.4000112.1L20 V25 V36 Y37 V38 N44L20-L40 HydrophobicContact CD1-CB 4.15Å; L20-L40 HydrophobicContact CD1-CD2 4.17Å; L20-L40 HydrophobicContact CD1-CG 4.4Å; L20-L40 HydrophobicContact CD2-CB 4.22Å; L20-L40 HydrophobicContact CD2-CD2 4.33Å; L20-L40 HydrophobicContact CD2-CG 4Å; V25-L40 HydrophobicContact CG1-CD1 4.25Å; V25-L40 HydrophobicContact CG1-CD2 3.92Å; V25-L40 HydrophobicContact CG1-CG 3.87Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 PolarHBondContact O-N 3.28Å; Y37-L40 PolarHBondContact O-N 3.34Å; V38-L40 VanDerWaalsContact C-N 3.34Å; V38-L40 PolarHBondContact O-N 2.92Å; L40-N44 WeakPolarHBondContact CD1-ND2 3.44Å; L40-N44 PolarHBondContact O-N 2.92Å; L40-N44 PolarHBondContact O-ND2 3.01Å
41Y93.1Very high86Confident4 Ų475.4 Ų75.42%0.01637%0.365CS..Hα-helixtrans-63.7-53170.4-168.6-67.6000110.4F4 L5 P8 L11 L16 E19 Y37 V38 K43 N44 L45F4-Y41 HydrophobicContact CB-CE1 4.13Å; L5-Y41 PolarHBondContact N-OH 3.42Å; L5-Y41 VanDerWaalsContact N-OH 3.15Å; L5-Y41 WeakPolarHBondContact O-CE1 3.32Å; P8-Y41 HydrophobicContact CB-CD1 3.58Å; P8-Y41 HydrophobicContact CB-CD2 4.17Å; P8-Y41 HydrophobicContact CB-CE1 4Å; P8-Y41 HydrophobicContact CB-CG 3.69Å; P8-Y41 HydrophobicContact CG-CD1 3.66Å; P8-Y41 HydrophobicContact CG-CE1 4.28Å; P8-Y41 HydrophobicContact CG-CG 4.07Å; L11-Y41 HydrophobicContact CD1-CD2 4.32Å; L11-Y41 HydrophobicContact CD1-CE2 3.67Å; L16-Y41 HydrophobicContact CD2-CD2 3.5Å; L16-Y41 HydrophobicContact CD2-CE2 4.17Å; L16-Y41 HydrophobicContact CD2-CG 4.02Å; E19-Y41 HydrophobicContact CB-CD2 4.35Å; E19-Y41 HydrophobicContact CB-CE2 3.91Å; E19-Y41 HydrophobicContact CG-CD2 4.49Å; E19-Y41 HydrophobicContact CG-CE2 3.73Å; Y37-Y41 WeakPolarHBondContact O-CB 3.07Å; Y37-Y41 PolarHBondContact O-N 3.15Å; V38-Y41 WeakPolarHBondContact O-CB 3.41Å; V38-Y41 PolarHBondContact O-N 3.16Å; Y41-K43 PolarHBondContact O-N 3.26Å; Y41-N44 PolarHBondContact O-N 3.46Å; Y41-L45 HydrophobicContact CD1-CB 4.11Å; Y41-L45 HydrophobicContact CD1-CD1 4.16Å; Y41-L45 HydrophobicContact CD2-CD1 3.63Å; Y41-L45 HydrophobicContact CE1-CB 4.13Å; Y41-L45 HydrophobicContact CE1-CD1 4.22Å; Y41-L45 HydrophobicContact CE2-CD1 3.72Å; Y41-L45 HydrophobicContact CG-CD1 3.86Å; Y41-L45 HydrophobicContact CG-CG 4.49Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 PolarHBondContact O-N 3.31Å
42L92.8Very high84.9Confident72 Ų7273.4 Ų73.438%0.37735%0.351SS..Hα-helixtrans-59.6-31.5176.7-71.2175.2000113.3E6 P8 V38 Q39 T46E6-L42 WeakPolarHBondContact O-CD2 3.33Å; P8-L42 HydrophobicContact CG-CD1 4.39Å; P8-L42 HydrophobicContact CG-CD2 3.6Å; P8-L42 HydrophobicContact CG-CG 3.62Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.36Å; Q39-L42 PolarHBondContact O-N 3.47Å; L42-T46 HydrophobicContact CD2-CG2 3.93Å; L42-T46 PolarHBondContact O-OG1 3.07Å
43K90.8Very high82.8Confident149 Ų14974.1 Ų74.165%0.64837%0.365SS*.Hα-helixtrans-76.2-32.2179.8-173.6173.3179.4-178.60113.4Q39 Y41 I47Q39-K43 WeakPolarHBondContact O-CB 3.45Å; Q39-K43 PolarHBondContact O-N 3.32Å; Y41-K43 PolarHBondContact O-N 3.26Å; K43-I47 WeakPolarHBondContact O-CD1 3.35Å
44N87.9Confident80.6Confident53 Ų5371.7 Ų71.728%0.28337%0.365SS..Hα-helixtrans-115.4-25-168-61.4-72.7000114.5V25 L40 Y41 Q48V25-N44 HydrophobicContact CG1-CB 4.45Å; V25-N44 HydrophobicContact CG2-CB 3.87Å; L40-N44 WeakPolarHBondContact CD1-ND2 3.44Å; L40-N44 PolarHBondContact O-N 2.92Å; L40-N44 PolarHBondContact O-ND2 3.01Å; Y41-N44 PolarHBondContact O-N 3.46Å; N44-Q48 PolarHBondContact O-NE2 3.05Å
45L86.4Confident78.2Confident0 Ų073.6 Ų73.60%039%0.385CS..THydrogen-bonded Turntrans-106.7-43.4-169.1-54.4-173.6000113F4 E19 L20 H23 V25 Y41 I47 Q48 N49F4-L45 HydrophobicContact CB-CB 4.23Å; F4-L45 HydrophobicContact CD1-CB 3.85Å; F4-L45 HydrophobicContact CD1-CD1 4.06Å; F4-L45 HydrophobicContact CD1-CG 4.42Å; F4-L45 HydrophobicContact CD2-CB 3.99Å; F4-L45 WeakPolarHBondContact CD2-O 3.45Å; F4-L45 HydrophobicContact CE1-CB 4.13Å; F4-L45 HydrophobicContact CE1-CD1 4.02Å; F4-L45 HydrophobicContact CE1-CD2 4.17Å; F4-L45 HydrophobicContact CE1-CG 4.33Å; F4-L45 HydrophobicContact CE2-CB 4.25Å; F4-L45 HydrophobicContact CG-CB 3.76Å; F4-L45 HydrophobicContact CZ-CB 4.3Å; F4-L45 HydrophobicContact CZ-CD2 4.06Å; E19-L45 HydrophobicContact CB-CD1 4.34Å; E19-L45 HydrophobicContact CG-CD1 3.76Å; L20-L45 HydrophobicContact CD2-CD1 4.47Å; H23-L45 HydrophobicContact CB-CD2 3.56Å; V25-L45 HydrophobicContact CG2-CD2 4.46Å; Y41-L45 HydrophobicContact CD1-CB 4.11Å; Y41-L45 HydrophobicContact CD1-CD1 4.16Å; Y41-L45 HydrophobicContact CD2-CD1 3.63Å; Y41-L45 HydrophobicContact CE1-CB 4.13Å; Y41-L45 HydrophobicContact CE1-CD1 4.22Å; Y41-L45 HydrophobicContact CE2-CD1 3.72Å; Y41-L45 HydrophobicContact CG-CD1 3.86Å; Y41-L45 HydrophobicContact CG-CG 4.49Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 PolarHBondContact O-N 3.31Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 2.99Å; L45-Q48 WeakPolarHBondContact O-CA 3.46Å; L45-Q48 VanDerWaalsContact O-CB 3.3Å; L45-Q48 WeakPolarHBondContact O-CB 3.05Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-N49 PolarHBondContact O-N 3.13Å
46T81.6Confident76Confident28 Ų2875.4 Ų75.417%0.17240%0.398CS..Hα-helixtrans-63.6-31.717658.20000112.3L42 Q48 N49 N50L42-T46 HydrophobicContact CD2-CG2 3.93Å; L42-T46 PolarHBondContact O-OG1 3.07Å; T46-Q48 PolarHBondContact O-N 3.2Å; T46-N49 VanDerWaalsContact O-CB 3.32Å; T46-N49 WeakPolarHBondContact O-CB 3.5Å; T46-N49 PolarHBondContact O-N 3.09Å; T46-N50 PolarHBondContact O-N 2.65Å
47I76.4Confident74Confident91 Ų9180.8 Ų80.847%0.46743%0.425SS..Hα-helixtrans-57.4-29.7170.1-59.9-171.7000112K43 L45 K51K43-I47 WeakPolarHBondContact O-CD1 3.35Å; L45-I47 VanDerWaalsContact C-N 3.25Å; L45-I47 PolarHBondContact O-N 2.99Å; I47-K51 WeakPolarHBondContact O-CG 3.41Å
48Q72.3Confident71.9Confident65 Ų6586.2 Ų86.230%0.30446%0.459SS..Hα-helixtrans-82.5-16.4175.5-60176.546.300113F4 N44 L45 T46 K52F4-Q48 HydrophobicContact CD2-CB 4.18Å; F4-Q48 HydrophobicContact CE2-CB 3.74Å; F4-Q48 HydrophobicContact CE2-CG 4.48Å; N44-Q48 PolarHBondContact O-NE2 3.05Å; L45-Q48 WeakPolarHBondContact O-CA 3.46Å; L45-Q48 VanDerWaalsContact O-CB 3.3Å; L45-Q48 WeakPolarHBondContact O-CB 3.05Å; L45-Q48 PolarHBondContact O-N 3.43Å; T46-Q48 PolarHBondContact O-N 3.2Å; Q48-K52 WeakPolarHBondContact O-CG 3.13Å
49N72.3Confident69.2Low32 Ų3294.4 Ų94.417%0.17149%0.493CS..Hα-helixtrans-70.5-47.9172.3-145.636.7000109.9L45 T46 K51 K52L45-N49 PolarHBondContact O-N 3.13Å; T46-N49 VanDerWaalsContact O-CB 3.32Å; T46-N49 WeakPolarHBondContact O-CB 3.5Å; T46-N49 PolarHBondContact O-N 3.09Å; N49-K51 PolarHBondContact O-N 2.87Å; N49-K52 PolarHBondContact O-N 3.48Å
50N66.5Low67.8Low125 Ų12594.1 Ų94.167%0.66851%0.506SS*.THydrogen-bonded Turntrans-61.2-10.1176.2-62.4-3.8000114.4T46T46-N50 PolarHBondContact O-N 2.65Å
51K62.9Low66Low167 Ų16797.2 Ų97.273%0.72653%0.531SS*.THydrogen-bonded Turntrans-99.2-3.8176.1-69-178.2178.9-170.70113.9I47 N49I47-K51 WeakPolarHBondContact O-CG 3.41Å; N49-K51 PolarHBondContact O-N 2.87Å
52K58.9Low64.3Low73 Ų73104.4 Ų104.432%0.31757%0.57SS.*SBendtrans-97.6-1-177.3-74.7170.8-171.7156.90114.5A2 Q48 N49 P54A2-K52 PolarHBondContact O-NZ 3.4Å; Q48-K52 WeakPolarHBondContact O-CG 3.13Å; N49-K52 PolarHBondContact O-N 3.48Å; K52-P54 WeakPolarHBondContact O-CD 3.26Å
53S44.9Very low62.2Low89 Ų89108.8 Ų108.862%0.62259%0.588SS**  trans-102.679.317156.90000110.5
54P48.5Very low60Low105 Ų105110.8 Ų110.868%0.68260%0.6SS**PPolyproline II helixtrans-66.1134.2165.930.3-33000108.5K52K52-P54 WeakPolarHBondContact O-CD 3.26Å
55P44.7Very low58.1Low121 Ų121115.8 Ų115.879%0.78663%0.626SS**PPolyproline II helixtrans-60.5139.9153.129.5-31.8000107.8
56L46.6Very low56.4Low162 Ų162121.3 Ų121.385%0.84866%0.661SS**PPolyproline II helixtrans-62.1141.2174.7-171.369.3000109.4T58L56-T58 PolarHBondContact O-N 3.43Å
57D50.5Low54.4Low159 Ų159126 Ų12685%0.8569%0.69SS**PPolyproline II helixtrans-47.6121.5-173.9-84.2-66.4000113.8
58T50.8Low53.2Low119 Ų119127.2 Ų127.273%0.7370%0.704SS**  trans-155.2103.1154.5-11.10000110.1L56L56-T58 PolarHBondContact O-N 3.43Å
59F38.1Very low51.7Low195 Ų195130.4 Ų130.486%0.85573%0.728SS**  trans62.2103.2171.9-63.5-80.4000118.8S61F59-S61 PolarHBondContact O-N 2.83Å
60S63.9Low50.2Low127 Ų127134.3 Ų134.389%0.88875%0.753SS**  trans-73.8107.3148.5156.80000109.8
61S55.6Low49.2Very low106 Ų106133.4 Ų133.474%0.74176%0.756SS**  trans-160.9108.7157.4-153.60000112.7F59F59-S61 PolarHBondContact O-N 2.83Å
62D57.2Low48.5Very low154 Ų154132.5 Ų132.582%0.82476%0.759SS**  trans51.5162.7154.4-121.3-25.5000123.8
63E50Low47.9Very low164 Ų164138.2 Ų138.277%0.76678%0.779SS**  trans67.7113.7165.6-145.9101.4130.500120.9
64E43.4Very low48.1Very low191 Ų191139.7 Ų139.789%0.89379%0.789SS**  trans71.5167.4150.2-99.4-163.7152.400124.6
65L48.4Very low48.5Very low159 Ų159144.1 Ų144.183%0.83279%0.792SS**  trans-112.3156.5-156.8-78170000113.7
66P50.5Low48.4Very low115 Ų115143.6 Ų143.675%0.74779%0.791SS**  trans-85.5146.5-159.732.5-37.1000115.3
67T41.1Very low48.4Very low126 Ų126139.4 Ų139.477%0.77379%0.787SS**  trans-111.8122.1156.955.60000110.2V69T67-V69 PolarHBondContact O-N 2.76Å
68P49.3Very low48.8Very low117 Ų117142.6 Ų142.676%0.7679%0.787SS**  trans-80.5105.6-176.629.8-33.3000111.7V70P68-V70 PolarHBondContact O-N 3.38Å; P68-V70 VanDerWaalsContact O-N 3.16Å
69V41.5Very low48.7Very low132 Ų132147.2 Ų147.280%0.880%0.797SS**  trans-69.4106169.2177.40000109.5T67 S71T67-V69 PolarHBondContact O-N 2.76Å; V69-S71 PolarHBondContact O-N 3.24Å
70V41.9Very low49.5Very low115 Ų115142.2 Ų142.270%0.69779%0.791SS**  trans-78.291179.2-175.80000110.2P68 N72P68-V70 PolarHBondContact O-N 3.38Å; P68-V70 VanDerWaalsContact O-N 3.16Å; V70-N72 PolarHBondContact O-N 3.3Å; V70-N72 VanDerWaalsContact O-N 3.12Å
71S43.8Very low49Very low105 Ų105142.8 Ų142.873%0.73479%0.79SS**  trans-75.694.3170.460.90000110.8V69 R73V69-S71 PolarHBondContact O-N 3.24Å; S71-R73 PolarHBondContact O-N 2.96Å
72N49.3Very low48.8Very low149 Ų149146.6 Ų146.680%0.79779%0.793SS**  trans-62.693.1173.8-83.2-6.9000111.2V70V70-N72 PolarHBondContact O-N 3.3Å; V70-N72 VanDerWaalsContact O-N 3.12Å
73R45.1Very low48.2Very low193 Ų193147.9 Ų147.973%0.72879%0.791SS**  trans-104.684.8171.8-165.9153.3-148.1166.310.7112.5S71 R75S71-R73 PolarHBondContact O-N 2.96Å; R73-R75 PolarHBondContact O-N 3.13Å; R73-R75 VanDerWaalsContact O-N 3.09Å
74S50.5Low48.3Very low119 Ų119146.5 Ų146.583%0.83279%0.794SS**  trans-61.6103.3168.938.90000111.9
75R57.3Low48.3Very low198 Ų198144.5 Ų144.575%0.74779%0.789SS**  trans-136.264.1167.2-81.4-168.5165.7172.6-5.2112R73 G77R73-R75 PolarHBondContact O-N 3.13Å; R73-R75 VanDerWaalsContact O-N 3.09Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.37Å
76S41.6Very low48.8Very low111 Ų111145.8 Ų145.878%0.77679%0.789SS**  trans-75.576169.7-172.20000111R78S76-R78 PolarHBondContact O-N 2.82Å; S76-R78 VanDerWaalsContact O-N 3.15Å
77G47Very low48.8Very low73 Ų73145.4 Ų145.475%0.75379%0.786SS**  trans-81.376.7175.900000112.3R75 K79R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.37Å; G77-K79 PolarHBondContact O-N 3.22Å
78R58.5Low49.4Very low227 Ų227145.9 Ų145.986%0.85777%0.774SS**  trans-67114.8178.6-81.5-172.1169.8-167.4-1.6112.4S76S76-R78 PolarHBondContact O-N 2.82Å; S76-R78 VanDerWaalsContact O-N 3.15Å
79K48.9Very low49.5Very low216 Ų216144.7 Ų144.794%0.93976%0.764SS**  trans-105.1102.4154-77.9-82.8-172.9172.90108.1G77G77-K79 PolarHBondContact O-N 3.22Å
80A54.3Low50.2Low89 Ų89141.9 Ų141.974%0.73674%0.743SS**  trans-139146.8171.900000109.3
81T53.3Low50.9Low139 Ų139139.8 Ų139.885%0.85373%0.725SS**  trans-103.7123.6-160.1490000114.8
82K52.8Low51.4Low186 Ų186138.8 Ų138.881%0.80971%0.714SS**  trans63.5102.3131.8-168.8176178.8-176.90118.3
83K44Very low51.9Low182 Ų182137.8 Ų137.879%0.79171%0.705SS**  trans98.4126.3149.1-66.2-83.2180176.20118.7
84T52.4Low52.8Low134 Ų134129 Ų12982%0.82267%0.673SS**  trans60.677.8153.5-42.20000117.6
85D43.4Very low53.9Low149 Ų149126.8 Ų126.880%0.79765%0.654SS**  -149.3166.6107.5-161.74.7000109.2P87D85-P87 WeakPolarHBondContact O-CD 3.49Å
86K57.8Low55Low187 Ų187125 Ų12581%0.81365%0.654SS**  trans-114.485174.2-176.5155.4175-177.70109.8R88K86-R88 PolarHBondContact O-N 3.2Å
87P50.9Low56.8Low107 Ų107121.3 Ų121.370%0.69563%0.626SS**  trans-67.5124.4-175.427.4-34.3000111.1D85 T89D85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-T89 PolarHBondContact O-N 3.25Å; P87-T89 VanDerWaalsContact O-N 3.09Å
88R53Low58.7Low136 Ų136121.5 Ų121.551%0.51361%0.613SS.*  trans-43.5106.8174.9-72140.9134.9-148.9-10.9112.6K86 E91 Q129K86-R88 PolarHBondContact O-N 3.2Å; R88-E91 HydrophobicContact CB-CB 4.17Å; R88-E91 HydrophobicContact CB-CG 4.02Å; R88-E91 WeakPolarHBondContact CD-OE2 3.16Å; R88-E91 HydrophobicContact CG-CG 4.38Å; R88-E91 VanDerWaalsContact CZ-CD 3.41Å; R88-E91 IonicContact CZ-OE1 2.81Å; R88-E91 IonicContact CZ-OE2 2.75Å; R88-E91 IonicContact NE-OE1 2.87Å; R88-E91 IonicContact NE-OE2 3.13Å; R88-E91 IonicContact NH1-OE1 3.55Å; R88-E91 PolarHBondContact NH1-OE1 2.9Å; R88-E91 IonicContact NH1-OE2 2.94Å; R88-E91 PolarHBondContact NH1-OE2 3.26Å; R88-E91 IonicContact NH2-OE1 3.25Å; R88-E91 PolarHBondContact NH2-OE1 2.88Å; R88-Q129 VanDerWaalsContact CZ-NE2 3.35Å
89T53Low60.3Low91 Ų91113.7 Ų113.756%0.55859%0.588SS**SBendtrans-68.6-41.1166.8-34.20000110.3P87 E91 V92P87-T89 PolarHBondContact O-N 3.25Å; P87-T89 VanDerWaalsContact O-N 3.09Å; T89-E91 PolarHBondContact O-N 2.8Å; T89-V92 PolarHBondContact O-N 2.91Å; T89-V92 VanDerWaalsContact O-N 3.12Å
90E55.9Low62.3Low74 Ų74108.2 Ų108.235%0.34657%0.565SS.*Hα-helixtrans-70.1-26.1-169.2-67.8156-121.200113.8V92 V94E90-V92 PolarHBondContact O-N 2.93Å; E90-V94 WeakPolarHBondContact O-CB 3.36Å; E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.38Å
91E55.7Low64.1Low70 Ų70106.9 Ų106.933%0.32755%0.546SS..Hα-helixtrans-62.3-30.8172-81.4-163.5140.600112.6R88 T89 T95 Q129R88-E91 HydrophobicContact CB-CB 4.17Å; R88-E91 HydrophobicContact CB-CG 4.02Å; R88-E91 WeakPolarHBondContact CD-OE2 3.16Å; R88-E91 HydrophobicContact CG-CG 4.38Å; R88-E91 VanDerWaalsContact CZ-CD 3.41Å; R88-E91 IonicContact CZ-OE1 2.81Å; R88-E91 IonicContact CZ-OE2 2.75Å; R88-E91 IonicContact NE-OE1 2.87Å; R88-E91 IonicContact NE-OE2 3.13Å; R88-E91 IonicContact NH1-OE1 3.55Å; R88-E91 PolarHBondContact NH1-OE1 2.9Å; R88-E91 IonicContact NH1-OE2 2.94Å; R88-E91 PolarHBondContact NH1-OE2 3.26Å; R88-E91 IonicContact NH2-OE1 3.25Å; R88-E91 PolarHBondContact NH2-OE1 2.88Å; T89-E91 PolarHBondContact O-N 2.8Å; E91-T95 WeakPolarHBondContact O-CG2 3.35Å; E91-Q129 PolarHBondContact OE1-NE2 2.89Å; E91-Q129 PolarHBondContact OE1-OE1 3.42Å
92V54Low65.9Low84 Ų84100.3 Ų100.351%0.50951%0.505SS..Hα-helixtrans-76.1-51.6-179.7-173.60000109.4T89 E90 V94 T95T89-V92 PolarHBondContact O-N 2.91Å; T89-V92 VanDerWaalsContact O-N 3.12Å; E90-V92 PolarHBondContact O-N 2.93Å; V92-V94 PolarHBondContact O-N 2.88Å; V92-T95 PolarHBondContact O-N 2.89Å; V92-T95 VanDerWaalsContact O-N 3.07Å; V92-T95 PolarHBondContact O-OG1 3.12Å
93E61.2Low67.7Low128 Ų12894.9 Ų94.960%0.59848%0.482SS*.Hα-helixtrans-61-41.1-177.9-64.5-178.4-173.800112.1T95 E96E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 3.42Å; E93-E96 PolarHBondContact O-N 3.09Å
94V64.1Low70Confident9 Ų990.7 Ų90.76%0.05547%0.465CS..Hα-helixtrans-62.2-31.4176.2168.80000112.5E90 V92 E125 L128 L132E90-V94 WeakPolarHBondContact O-CB 3.36Å; E90-V94 VanDerWaalsContact O-CG2 3.29Å; E90-V94 WeakPolarHBondContact O-CG2 3.36Å; E90-V94 PolarHBondContact O-N 3.38Å; V92-V94 PolarHBondContact O-N 2.88Å; V94-E125 HydrophobicContact CG1-CB 3.87Å; V94-E125 HydrophobicContact CG1-CG 4.19Å; V94-E125 WeakPolarHBondContact CG1-O 3.34Å; V94-L128 HydrophobicContact CG1-CD2 4.22Å; V94-L128 HydrophobicContact CG2-CD2 4.28Å; V94-L128 HydrophobicContact CG2-CG 4.39Å; V94-L132 HydrophobicContact CG2-CD1 4.13Å
95T72.8Confident71.8Confident73 Ų7386.9 Ų86.945%0.44844%0.438SS..Hα-helixtrans-76.2-18.5179.2590000114.6E91 V92 E93 R121E91-T95 WeakPolarHBondContact O-CG2 3.35Å; V92-T95 PolarHBondContact O-N 2.89Å; V92-T95 VanDerWaalsContact O-N 3.07Å; V92-T95 PolarHBondContact O-OG1 3.12Å; E93-T95 VanDerWaalsContact C-N 3.27Å; E93-T95 PolarHBondContact O-N 3.42Å; T95-R121 PolarHBondContact O-NH2 2.75Å
96E80.7Confident74.1Confident160 Ų16079.8 Ų79.875%0.74840%0.4SS*.Hα-helixtrans-89.4-11.5-179.6-63.3-165.9168.400113.8E93E93-E96 PolarHBondContact O-N 3.09Å
97L78.4Confident75.8Confident34 Ų3473.1 Ų73.118%0.17838%0.38CS..SBendtrans-60.9149.4178.5-60.6177.1000113.1D101 R121 L128L97-D101 HydrophobicContact CB-CB 4.32Å; L97-D101 HydrophobicContact CD2-CB 4.49Å; L97-R121 VanDerWaalsContact O-CZ 3.3Å; L97-R121 PolarHBondContact O-NH1 3.16Å; L97-R121 PolarHBondContact O-NH2 2.74Å; L97-L128 HydrophobicContact CD1-CD2 3.79Å
98T88.3Confident77.8Confident77 Ų7775.4 Ų75.447%0.47238%0.379SS..  trans-75.8162.2168.978.50000111.1E100 D101 L102T98-E100 PolarHBondContact O-N 3.36Å; T98-D101 VanDerWaalsContact CB-OD2 3.28Å; T98-D101 WeakPolarHBondContact CB-OD2 3.5Å; T98-D101 VanDerWaalsContact CG2-OD2 3.31Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.06Å; T98-D101 PolarHBondContact N-OD2 3.37Å; T98-D101 PolarHBondContact O-N 3.32Å; T98-D101 VanDerWaalsContact O-N 3.15Å; T98-D101 PolarHBondContact OG1-N 3.49Å; T98-D101 PolarHBondContact OG1-OD2 3.3Å; T98-L102 WeakPolarHBondContact O-CB 3.29Å; T98-L102 PolarHBondContact O-N 3.38Å
99D91.4Very high79.5Confident62 Ų6272 Ų7233%0.33237%0.368SS..Hα-helixtrans-61.4-32.5-178.7-64.7-35.4000112.5K103 I116 R121D99-K103 WeakPolarHBondContact O-CB 3.34Å; D99-K103 PolarHBondContact O-N 3Å; D99-I116 HydrophobicContact CB-CB 4.23Å; D99-I116 HydrophobicContact CB-CG2 4Å; D99-R121 VanDerWaalsContact OD1-CD 3.22Å; D99-R121 WeakPolarHBondContact OD1-CD 3.41Å; D99-R121 IonicContact OD1-CZ 3.82Å; D99-R121 IonicContact OD1-NE 3.38Å; D99-R121 IonicContact OD1-NH1 3.88Å; D99-R121 PolarHBondContact OD1-NH1 2.94Å
100E90.9Very high81.2Confident101 Ų10170.9 Ų70.947%0.47238%0.375SS..Hα-helixtrans-78.6-32.3174.7-70-63.4144.700112.7T98 K103 Q104T98-E100 PolarHBondContact O-N 3.36Å; E100-K103 IonicContact OE1-NZ 3.31Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.9Å; E100-K103 PolarHBondContact OE2-NZ 3Å; E100-Q104 WeakPolarHBondContact O-CB 3.39Å; E100-Q104 VanDerWaalsContact O-CG 3.27Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 3.38Å; E100-Q104 PolarHBondContact O-NE2 2.97Å
101D91Very high82.7Confident62 Ų6268.3 Ų68.333%0.33237%0.365SS..Hα-helixtrans-67.4-42.3174.4-61.1-48.6000111.3L97 T98 Q104 Q105L97-D101 HydrophobicContact CB-CB 4.32Å; L97-D101 HydrophobicContact CD2-CB 4.49Å; T98-D101 VanDerWaalsContact CB-OD2 3.28Å; T98-D101 WeakPolarHBondContact CB-OD2 3.5Å; T98-D101 VanDerWaalsContact CG2-OD2 3.31Å; T98-D101 WeakPolarHBondContact CG2-OD2 3.06Å; T98-D101 PolarHBondContact N-OD2 3.37Å; T98-D101 PolarHBondContact O-N 3.32Å; T98-D101 VanDerWaalsContact O-N 3.15Å; T98-D101 PolarHBondContact OG1-N 3.49Å; T98-D101 PolarHBondContact OG1-OD2 3.3Å; D101-Q104 PolarHBondContact O-N 3.12Å; D101-Q105 WeakPolarHBondContact O-CG 3.46Å; D101-Q105 PolarHBondContact O-N 3.08Å
102L91.4Very high84.2Confident0 Ų072.3 Ų72.30%039%0.388CS..Hα-helixtrans-58.6-49.6176-160.8-171.8000110.1T98 Q104 Q105 L106 I116 R121 E125 L128T98-L102 WeakPolarHBondContact O-CB 3.29Å; T98-L102 PolarHBondContact O-N 3.38Å; L102-Q104 PolarHBondContact O-N 3.19Å; L102-Q105 PolarHBondContact O-N 2.86Å; L102-L106 HydrophobicContact CD2-CD1 3.59Å; L102-L106 HydrophobicContact CD2-CG 3.98Å; L102-L106 PolarHBondContact O-N 3.38Å; L102-I116 HydrophobicContact CB-CD1 4.39Å; L102-I116 HydrophobicContact CD1-CD1 4.31Å; L102-I116 HydrophobicContact CD2-CD1 4.25Å; L102-R121 HydrophobicContact CD1-CG 3.94Å; L102-E125 HydrophobicContact CD1-CG 3.82Å; L102-L128 HydrophobicContact CD2-CB 4.44Å; L102-L128 HydrophobicContact CD2-CD2 4.17Å; L102-L128 HydrophobicContact CG-CD2 4.38Å
103K91Very high85.7Confident72 Ų7269.3 Ų69.331%0.31337%0.37SS..Hα-helixtrans-58.5-44.1174.6171.7176.2157.7-144.40112.4D99 E100 L106 A107 I116D99-K103 WeakPolarHBondContact O-CB 3.34Å; D99-K103 PolarHBondContact O-N 3Å; E100-K103 IonicContact OE1-NZ 3.31Å; E100-K103 PolarHBondContact OE1-NZ 3.04Å; E100-K103 IonicContact OE2-NZ 2.9Å; E100-K103 PolarHBondContact OE2-NZ 3Å; K103-L106 PolarHBondContact O-N 3.05Å; K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.3Å; K103-I116 HydrophobicContact CB-CD1 3.83Å; K103-I116 HydrophobicContact CB-CG1 4.43Å
104Q91.8Very high86.9Confident94 Ų9465.1 Ų65.144%0.43936%0.361SS..Hα-helixtrans-63.9-39175.6-77.6174.95800112.9E100 D101 L102 A107 K108E100-Q104 WeakPolarHBondContact O-CB 3.39Å; E100-Q104 VanDerWaalsContact O-CG 3.27Å; E100-Q104 WeakPolarHBondContact O-CG 3.45Å; E100-Q104 PolarHBondContact O-N 3.38Å; E100-Q104 PolarHBondContact O-NE2 2.97Å; D101-Q104 PolarHBondContact O-N 3.12Å; L102-Q104 PolarHBondContact O-N 3.19Å; Q104-A107 PolarHBondContact O-N 2.6Å; Q104-K108 VanDerWaalsContact O-CG 3.25Å; Q104-K108 WeakPolarHBondContact O-CG 3.46Å; Q104-K108 PolarHBondContact O-N 3.07Å
105Q91.2Very high88.1Confident55 Ų5570.2 Ų70.226%0.25740%0.395SS..Hα-helixtrans-68.7-42.6177-70.2-176.928.600111.3D101 L102 A107 K108 H109 L128D101-Q105 WeakPolarHBondContact O-CG 3.46Å; D101-Q105 PolarHBondContact O-N 3.08Å; L102-Q105 PolarHBondContact O-N 2.86Å; Q105-A107 PolarHBondContact O-N 2.91Å; Q105-K108 WeakPolarHBondContact O-CB 3.47Å; Q105-K108 PolarHBondContact O-N 3.46Å; Q105-H109 PolarHBondContact O-CD2 2.87Å; Q105-H109 PolarHBondContact O-N 3.4Å; Q105-H109 VanDerWaalsContact O-N 3.12Å; Q105-L128 HydrophobicContact CB-CD1 3.75Å; Q105-L128 HydrophobicContact CB-CD2 3.96Å
106L92.4Very high88.9Confident0 Ų067.9 Ų67.90%038%0.379CS..Hα-helixtrans-60.7-42.6172.6-77.2178.6000112.6L102 K103 K108 H109 G110 V111 T113 Y124 K127 L128 L131L102-L106 HydrophobicContact CD2-CD1 3.59Å; L102-L106 HydrophobicContact CD2-CG 3.98Å; L102-L106 PolarHBondContact O-N 3.38Å; K103-L106 PolarHBondContact O-N 3.05Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.38Å; L106-H109 CarbonylContact O-C 3.45Å; L106-H109 WeakPolarHBondContact O-CA 3.48Å; L106-H109 PolarHBondContact O-N 2.94Å; L106-H109 VanDerWaalsContact O-N 3.08Å; L106-G110 PolarHBondContact O-N 3.12Å; L106-V111 CarbonylContact C-O 3.25Å; L106-V111 VanDerWaalsContact C-O 3.25Å; L106-V111 HydrophobicContact CB-CB 4.15Å; L106-V111 HydrophobicContact CB-CG1 4.38Å; L106-V111 HydrophobicContact CD2-CB 4.29Å; L106-V111 HydrophobicContact CD2-CG1 4.37Å; L106-V111 WeakPolarHBondContact O-CA 3.41Å; L106-V111 WeakPolarHBondContact O-CB 3.44Å; L106-V111 PolarHBondContact O-N 3.23Å; L106-T113 HydrophobicContact CB-CG2 4.24Å; L106-T113 HydrophobicContact CD1-CG2 3.63Å; L106-Y124 HydrophobicContact CD1-CD1 3.87Å; L106-Y124 HydrophobicContact CD1-CG 4.07Å; L106-K127 HydrophobicContact CD2-CB 4.38Å; L106-K127 HydrophobicContact CD2-CG 4.29Å; L106-L128 HydrophobicContact CD2-CB 3.77Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; L106-L128 HydrophobicContact CG-CB 4.12Å; L106-L131 HydrophobicContact CD2-CD1 3.76Å
107A92.4Very high89.5Confident46 Ų4664 Ų6438%0.3837%0.366SS..Hα-helixtrans-61.9-38.9174.800000112.6K103 Q104 Q105 H109 G110 V111K103-A107 WeakPolarHBondContact O-CB 3.33Å; K103-A107 PolarHBondContact O-N 3.3Å; Q104-A107 PolarHBondContact O-N 2.6Å; Q105-A107 PolarHBondContact O-N 2.91Å; A107-H109 PolarHBondContact O-N 3.39Å; A107-G110 PolarHBondContact O-N 3.12Å; A107-V111 PolarHBondContact N-O 2.76Å
108K92.4Very high89.9Confident156 Ų15666.6 Ų66.668%0.67839%0.392SS*.Hα-helixtrans-61.3-31.1172.7-72.5164.7-171.2171.10112.8Q104 Q105 L106 G110Q104-K108 VanDerWaalsContact O-CG 3.25Å; Q104-K108 WeakPolarHBondContact O-CG 3.46Å; Q104-K108 PolarHBondContact O-N 3.07Å; Q105-K108 WeakPolarHBondContact O-CB 3.47Å; Q105-K108 PolarHBondContact O-N 3.46Å; L106-K108 VanDerWaalsContact C-N 3.35Å; L106-K108 PolarHBondContact O-N 3.38Å; K108-G110 VanDerWaalsContact C-N 3.3Å
109H89.2Confident89.9Confident64 Ų6467.4 Ų67.430%0.29640%0.401SS..THydrogen-bonded Turntrans-90.520.7172.7-64.5-70.9000113.4Q105 L106 A107 V111 L131Q105-H109 PolarHBondContact O-CD2 2.87Å; Q105-H109 PolarHBondContact O-N 3.4Å; Q105-H109 VanDerWaalsContact O-N 3.12Å; L106-H109 CarbonylContact O-C 3.45Å; L106-H109 WeakPolarHBondContact O-CA 3.48Å; L106-H109 PolarHBondContact O-N 2.94Å; L106-H109 VanDerWaalsContact O-N 3.08Å; A107-H109 PolarHBondContact O-N 3.39Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.45Å; H109-L131 HydrophobicContact CB-CB 4.39Å; H109-L131 HydrophobicContact CB-CD1 3.91Å
110G89.3Confident89.8Confident68 Ų6866.8 Ų66.870%0.70140%0.4SS*.THydrogen-bonded Turntrans73.519.217500000115L106 A107 K108L106-G110 PolarHBondContact O-N 3.12Å; A107-G110 PolarHBondContact O-N 3.12Å; K108-G110 VanDerWaalsContact C-N 3.3Å
111V87.5Confident89.8Confident20 Ų2064.3 Ų64.312%0.12139%0.386CS..  trans-114.592.8-179.3179.80000110.5L106 A107 H109 T113 K127 L131L106-V111 CarbonylContact C-O 3.25Å; L106-V111 VanDerWaalsContact C-O 3.25Å; L106-V111 HydrophobicContact CB-CB 4.15Å; L106-V111 HydrophobicContact CB-CG1 4.38Å; L106-V111 HydrophobicContact CD2-CB 4.29Å; L106-V111 HydrophobicContact CD2-CG1 4.37Å; L106-V111 WeakPolarHBondContact O-CA 3.41Å; L106-V111 WeakPolarHBondContact O-CB 3.44Å; L106-V111 PolarHBondContact O-N 3.23Å; A107-V111 PolarHBondContact N-O 2.76Å; H109-V111 VanDerWaalsContact C-N 3.33Å; H109-V111 PolarHBondContact O-N 3.45Å; V111-T113 HydrophobicContact CG1-CG2 3.97Å; V111-T113 PolarHBondContact O-N 2.99Å; V111-K127 HydrophobicContact CG1-CD 3.98Å; V111-L131 HydrophobicContact CG2-CD1 3.86Å
112D87.3Confident89.8Confident154 Ų15468.4 Ų68.482%0.82440%0.401SS*.  trans-66122.9169.5-71-42.7000110.5
113T85.9Confident89.8Confident20 Ų2073 Ų7312%0.12343%0.429CS..  trans-116139.5177.855.30000110.8L106 V111 Y124L106-T113 HydrophobicContact CB-CG2 4.24Å; L106-T113 HydrophobicContact CD1-CG2 3.63Å; V111-T113 HydrophobicContact CG1-CG2 3.97Å; V111-T113 PolarHBondContact O-N 2.99Å; T113-Y124 HydrophobicContact CG2-CD1 3.58Å; T113-Y124 HydrophobicContact CG2-CE1 3.38Å; T113-Y124 HydrophobicContact CG2-CG 4.31Å
114G86.6Confident89.9Confident40 Ų4072.1 Ų72.141%0.41242%0.424SS..  trans-68.4-16917100000112.5I116G114-I116 PolarHBondContact O-N 3.13Å; G114-I116 VanDerWaalsContact O-N 3.1Å
115P88.6Confident89.9Confident117 Ų11768.8 Ų68.876%0.7641%0.408SS*.  trans-57.3119.5-179.223.9-33.9000111.4
116I89.4Confident89.9Confident23 Ų2373 Ų7312%0.11843%0.426CS..  trans-76.7129.4175.8-59.9-163.4000108.6D99 L102 K103 G114 R121 Y124D99-I116 HydrophobicContact CB-CB 4.23Å; D99-I116 HydrophobicContact CB-CG2 4Å; L102-I116 HydrophobicContact CB-CD1 4.39Å; L102-I116 HydrophobicContact CD1-CD1 4.31Å; L102-I116 HydrophobicContact CD2-CD1 4.25Å; K103-I116 HydrophobicContact CB-CD1 3.83Å; K103-I116 HydrophobicContact CB-CG1 4.43Å; G114-I116 PolarHBondContact O-N 3.13Å; G114-I116 VanDerWaalsContact O-N 3.1Å; I116-R121 HydrophobicContact CG2-CB 3.88Å; I116-R121 HydrophobicContact CG2-CG 4.26Å; I116-Y124 HydrophobicContact CB-CD2 4.46Å; I116-Y124 HydrophobicContact CD1-CD2 3.71Å; I116-Y124 HydrophobicContact CD1-CE2 4.34Å; I116-Y124 HydrophobicContact CD1-CG 4.2Å; I116-Y124 HydrophobicContact CG1-CD2 3.71Å; I116-Y124 HydrophobicContact CG1-CE2 3.9Å; I116-Y124 HydrophobicContact CG2-CD2 4.28Å
117V92.5Very high89.9Confident78 Ų7877.7 Ų77.747%0.47345%0.446SS..  trans-131.3155.1-178.5-178.50000107.3S119 T120 R121V117-S119 PolarHBondContact O-N 3.12Å; V117-T120 PolarHBondContact N-OG1 3.22Å; V117-T120 PolarHBondContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.34Å; V117-R121 PolarHBondContact O-N 2.99Å
118A87.9Confident89.8Confident89 Ų8975.5 Ų75.574%0.73643%0.428SS*.THydrogen-bonded Turntrans-54.6-18.5-177.300000115.5
119S87.9Confident89.7Confident95 Ų9568.8 Ų68.866%0.66440%0.399SS*.THydrogen-bonded Turntrans-80.2-36.8170.848.60000113.9V117V117-S119 PolarHBondContact O-N 3.12Å
120T89.3Confident89.7Confident48 Ų4871.4 Ų71.429%0.29441%0.41SS..THydrogen-bonded Turntrans-93.9-26.6-177550000113.3V117 K122 V123 Y124V117-T120 PolarHBondContact N-OG1 3.22Å; V117-T120 PolarHBondContact O-N 3.08Å; V117-T120 PolarHBondContact O-OG1 3.34Å; T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.81Å; T120-K122 VanDerWaalsContact O-N 3.15Å; T120-V123 WeakPolarHBondContact O-CA 3.49Å; T120-V123 WeakPolarHBondContact O-CB 3.36Å; T120-V123 PolarHBondContact O-N 3.15Å; T120-Y124 WeakPolarHBondContact O-CD2 3.28Å; T120-Y124 PolarHBondContact O-N 3.45Å
121R90.7Very high89.6Confident50 Ų5070 Ų7019%0.18939%0.386CS..Hα-helixtrans-43.2-50.4178.5-175.3-169.7163105.5-0.5112.7T95 L97 D99 L102 I116 V117 V123 Y124 E125T95-R121 PolarHBondContact O-NH2 2.75Å; L97-R121 VanDerWaalsContact O-CZ 3.3Å; L97-R121 PolarHBondContact O-NH1 3.16Å; L97-R121 PolarHBondContact O-NH2 2.74Å; D99-R121 VanDerWaalsContact OD1-CD 3.22Å; D99-R121 WeakPolarHBondContact OD1-CD 3.41Å; D99-R121 IonicContact OD1-CZ 3.82Å; D99-R121 IonicContact OD1-NE 3.38Å; D99-R121 IonicContact OD1-NH1 3.88Å; D99-R121 PolarHBondContact OD1-NH1 2.94Å; L102-R121 HydrophobicContact CD1-CG 3.94Å; I116-R121 HydrophobicContact CG2-CB 3.88Å; I116-R121 HydrophobicContact CG2-CG 4.26Å; V117-R121 PolarHBondContact O-N 2.99Å; R121-V123 VanDerWaalsContact C-N 3.26Å; R121-V123 PolarHBondContact O-N 3.42Å; R121-Y124 CarbonylContact O-C 3.12Å; R121-Y124 WeakPolarHBondContact O-CA 3.39Å; R121-Y124 PolarHBondContact O-N 3.42Å; R121-E125 HydrophobicContact CG-CG 4.3Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 2.6Å; R121-E125 PolarHBondContact NE-OE1 3.23Å; R121-E125 IonicContact NH2-OE1 3.13Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.04Å
122K91.6Very high89.5Confident147 Ų14771.2 Ų71.264%0.63939%0.392SS*.Hα-helixtrans-64.8-21.7-179.5-65.7-169.4173.4-169.90115.6T120 E125 K126T120-K122 VanDerWaalsContact C-N 3.29Å; T120-K122 PolarHBondContact O-N 2.81Å; T120-K122 VanDerWaalsContact O-N 3.15Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; K122-K126 WeakPolarHBondContact O-CG 3.37Å
123V91.9Very high89.4Confident98 Ų9867.5 Ų67.559%0.59437%0.372SS*.Hα-helixtrans-79.5-39.9173.4-174.50000109.3T120 R121 K127T120-V123 WeakPolarHBondContact O-CA 3.49Å; T120-V123 WeakPolarHBondContact O-CB 3.36Å; T120-V123 PolarHBondContact O-N 3.15Å; R121-V123 VanDerWaalsContact C-N 3.26Å; R121-V123 PolarHBondContact O-N 3.42Å; V123-K127 WeakPolarHBondContact O-CB 3.25Å; V123-K127 PolarHBondContact O-N 3.25Å
124Y92.2Very high89Confident52 Ų5271.6 Ų71.620%0.20439%0.389CS..Hα-helixtrans-71.4-40.2177.3-64.1-48.1000113L106 T113 I116 T120 R121 K126 K127 L128L106-Y124 HydrophobicContact CD1-CD1 3.87Å; L106-Y124 HydrophobicContact CD1-CG 4.07Å; T113-Y124 HydrophobicContact CG2-CD1 3.58Å; T113-Y124 HydrophobicContact CG2-CE1 3.38Å; T113-Y124 HydrophobicContact CG2-CG 4.31Å; I116-Y124 HydrophobicContact CB-CD2 4.46Å; I116-Y124 HydrophobicContact CD1-CD2 3.71Å; I116-Y124 HydrophobicContact CD1-CE2 4.34Å; I116-Y124 HydrophobicContact CD1-CG 4.2Å; I116-Y124 HydrophobicContact CG1-CD2 3.71Å; I116-Y124 HydrophobicContact CG1-CE2 3.9Å; I116-Y124 HydrophobicContact CG2-CD2 4.28Å; T120-Y124 WeakPolarHBondContact O-CD2 3.28Å; T120-Y124 PolarHBondContact O-N 3.45Å; R121-Y124 CarbonylContact O-C 3.12Å; R121-Y124 WeakPolarHBondContact O-CA 3.39Å; R121-Y124 PolarHBondContact O-N 3.42Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.87Å; Y124-K127 PolarHBondContact O-N 3.23Å; Y124-K127 VanDerWaalsContact O-N 3.12Å; Y124-L128 WeakPolarHBondContact O-CB 3.44Å; Y124-L128 PolarHBondContact O-N 2.94Å
125E92.3Very high87.7Confident24 Ų2474.9 Ų74.911%0.11239%0.394CS..Hα-helixtrans-50.3-52.5169.8-73.8168.8173.600110.4V94 L102 R121 K122 K127 L128 Q129V94-E125 HydrophobicContact CG1-CB 3.87Å; V94-E125 HydrophobicContact CG1-CG 4.19Å; V94-E125 WeakPolarHBondContact CG1-O 3.34Å; L102-E125 HydrophobicContact CD1-CG 3.82Å; R121-E125 HydrophobicContact CG-CG 4.3Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 2.6Å; R121-E125 PolarHBondContact NE-OE1 3.23Å; R121-E125 IonicContact NH2-OE1 3.13Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.04Å; K122-E125 WeakPolarHBondContact CA-OE2 3.44Å; E125-K127 PolarHBondContact O-N 3.22Å; E125-L128 PolarHBondContact O-N 2.88Å; E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 3.21Å
126K91.7Very high86.2Confident145 Ų14572.5 Ų72.563%0.6338%0.384SS*.Hα-helixtrans-67.3-32.2178.1-71.8-174.6173.3-166.20114.2K122 Y124 K130K122-K126 WeakPolarHBondContact O-CG 3.37Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.87Å; K126-K130 PolarHBondContact O-N 3Å
127K91.1Very high84.4Confident98 Ų9875.5 Ų75.543%0.42641%0.413SS..Hα-helixtrans-69.7-42.1176.7-170.2173.2-177.1-175.60111L106 V111 V123 Y124 E125 K130 L131L106-K127 HydrophobicContact CD2-CB 4.38Å; L106-K127 HydrophobicContact CD2-CG 4.29Å; V111-K127 HydrophobicContact CG1-CD 3.98Å; V123-K127 WeakPolarHBondContact O-CB 3.25Å; V123-K127 PolarHBondContact O-N 3.25Å; Y124-K127 PolarHBondContact O-N 3.23Å; Y124-K127 VanDerWaalsContact O-N 3.12Å; E125-K127 PolarHBondContact O-N 3.22Å; K127-K130 PolarHBondContact O-N 3.44Å; K127-L131 HydrophobicContact CG-CD1 4.38Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.93Å
128L91.3Very high82.5Confident0 Ų079.5 Ų79.50%043%0.426CS..Hα-helixtrans-61.8-49.2174.4173.358.1000110.3V94 L97 L102 Q105 L106 Y124 E125 K130 L131 L132V94-L128 HydrophobicContact CG1-CD2 4.22Å; V94-L128 HydrophobicContact CG2-CD2 4.28Å; V94-L128 HydrophobicContact CG2-CG 4.39Å; L97-L128 HydrophobicContact CD1-CD2 3.79Å; L102-L128 HydrophobicContact CD2-CB 4.44Å; L102-L128 HydrophobicContact CD2-CD2 4.17Å; L102-L128 HydrophobicContact CG-CD2 4.38Å; Q105-L128 HydrophobicContact CB-CD1 3.75Å; Q105-L128 HydrophobicContact CB-CD2 3.96Å; L106-L128 HydrophobicContact CD2-CB 3.77Å; L106-L128 HydrophobicContact CD2-CD1 4.4Å; L106-L128 HydrophobicContact CG-CB 4.12Å; Y124-L128 WeakPolarHBondContact O-CB 3.44Å; Y124-L128 PolarHBondContact O-N 2.94Å; E125-L128 PolarHBondContact O-N 2.88Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.24Å; L128-L131 PolarHBondContact O-N 3.47Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L128-L132 HydrophobicContact CD1-CD1 4.36Å; L128-L132 HydrophobicContact CD1-CG 4.37Å; L128-L132 HydrophobicContact CG-CD1 4.33Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.85Å
129Q89.8Confident80.5Confident14 Ų1480 Ų807%0.06542%0.422CS..Hα-helixtrans-54.5-47.1174.7-172.9-162.9-900112.3R88 E91 E125 L131 L132 D133R88-Q129 VanDerWaalsContact CZ-NE2 3.35Å; E91-Q129 PolarHBondContact OE1-NE2 2.89Å; E91-Q129 PolarHBondContact OE1-OE1 3.42Å; E125-Q129 WeakPolarHBondContact O-CB 3.45Å; E125-Q129 PolarHBondContact O-N 3.21Å; Q129-L131 VanDerWaalsContact C-N 3.26Å; Q129-L131 PolarHBondContact O-N 3.37Å; Q129-L132 PolarHBondContact O-N 3.29Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; Q129-D133 PolarHBondContact NE2-OD2 3.33Å; Q129-D133 PolarHBondContact O-N 3.02Å
130K88.3Confident78.2Confident119 Ų11980.6 Ų80.652%0.51743%0.432SS..Hα-helixtrans-58.2-40.3177.7-174.2-176177.9-75.80111.7K126 K127 L128 L132 D133 E134K126-K130 PolarHBondContact O-N 3Å; K127-K130 PolarHBondContact O-N 3.44Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.24Å; K130-L132 VanDerWaalsContact C-N 3.32Å; K130-D133 PolarHBondContact O-N 3.07Å; K130-E134 IonicContact NZ-OE1 2.72Å; K130-E134 PolarHBondContact NZ-OE1 3.37Å; K130-E134 VanDerWaalsContact NZ-OE1 3.13Å; K130-E134 IonicContact NZ-OE2 3.82Å; K130-E134 PolarHBondContact NZ-OE2 3.2Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.5Å
131L87.6Confident76.1Confident39 Ų3982.7 Ų82.720%0.20445%0.454CS..Hα-helixtrans-69.3-30.9179.7-65.4161.1000112.1L106 H109 V111 K127 L128 Q129 H135L106-L131 HydrophobicContact CD2-CD1 3.76Å; H109-L131 HydrophobicContact CB-CB 4.39Å; H109-L131 HydrophobicContact CB-CD1 3.91Å; V111-L131 HydrophobicContact CG2-CD1 3.86Å; K127-L131 HydrophobicContact CG-CD1 4.38Å; K127-L131 WeakPolarHBondContact O-CD1 3.47Å; K127-L131 WeakPolarHBondContact O-CG 3.42Å; K127-L131 PolarHBondContact O-N 2.93Å; L128-L131 PolarHBondContact O-N 3.47Å; L128-L131 VanDerWaalsContact O-N 3.08Å; Q129-L131 VanDerWaalsContact C-N 3.26Å; Q129-L131 PolarHBondContact O-N 3.37Å; L131-H135 VanDerWaalsContact O-CB 3.26Å; L131-H135 WeakPolarHBondContact O-CB 3.5Å; L131-H135 PolarHBondContact O-N 3.05Å
132L86.6Confident74.3Confident46 Ų4685.7 Ų85.724%0.24148%0.48CS..Hα-helixtrans-72-48170.7-64.3174.4000111.5V94 L128 Q129 K130 E134 H135 A136V94-L132 HydrophobicContact CG2-CD1 4.13Å; L128-L132 HydrophobicContact CD1-CD1 4.36Å; L128-L132 HydrophobicContact CD1-CG 4.37Å; L128-L132 HydrophobicContact CG-CD1 4.33Å; L128-L132 WeakPolarHBondContact O-CG 3.39Å; L128-L132 PolarHBondContact O-N 2.85Å; Q129-L132 PolarHBondContact O-N 3.29Å; Q129-L132 VanDerWaalsContact O-N 3.12Å; K130-L132 VanDerWaalsContact C-N 3.32Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.44Å; L132-H135 PolarHBondContact O-N 3.32Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.35Å
133D84.8Confident71.6Confident76 Ų7685.2 Ų85.241%0.40649%0.49SS..Hα-helixtrans-56.5-39174-79.3-48.8000111.4Q129 K130 A137Q129-D133 PolarHBondContact NE2-OD2 3.33Å; Q129-D133 PolarHBondContact O-N 3.02Å; K130-D133 PolarHBondContact O-N 3.07Å; D133-A137 PolarHBondContact O-N 3.03Å
134E77.8Confident69.1Low105 Ų10587.6 Ų87.649%0.49150%0.5SS..Hα-helixtrans-76.3-41.7-178.4-171.9163.5-153.900112.2K130 L132 A137K130-E134 IonicContact NZ-OE1 2.72Å; K130-E134 PolarHBondContact NZ-OE1 3.37Å; K130-E134 VanDerWaalsContact NZ-OE1 3.13Å; K130-E134 IonicContact NZ-OE2 3.82Å; K130-E134 PolarHBondContact NZ-OE2 3.2Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.5Å; L132-E134 VanDerWaalsContact C-N 3.25Å; L132-E134 PolarHBondContact O-N 3.44Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; E134-A137 PolarHBondContact O-N 3.02Å
135H59Low66.5Low109 Ų10990.8 Ų90.851%0.50552%0.524SS..Hα-helixtrans-73.2-27.5171.8-166.9-28.7000112L131 L132 A137 E138 P139L131-H135 VanDerWaalsContact O-CB 3.26Å; L131-H135 WeakPolarHBondContact O-CB 3.5Å; L131-H135 PolarHBondContact O-N 3.05Å; L132-H135 PolarHBondContact O-N 3.32Å; H135-A137 PolarHBondContact O-N 2.57Å; H135-E138 PolarHBondContact ND1-O 2.75Å; H135-E138 CarbonylContact O-C 3.57Å; H135-E138 PolarHBondContact O-N 3.29Å; H135-P139 WeakPolarHBondContact O-CD 3.24Å
136A56.9Low64Low68 Ų6895.4 Ų95.456%0.56255%0.554SS**THydrogen-bonded Turntrans-69.2-18.2174.100000112.8L132L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.35Å
137A51.3Low61.3Low86 Ų8694.9 Ų94.971%0.71156%0.563SS**THydrogen-bonded Turntrans-78.2-24.8172.200000113.4D133 E134 H135D133-A137 PolarHBondContact O-N 3.03Å; E134-A137 WeakPolarHBondContact O-CB 3.35Å; E134-A137 PolarHBondContact O-N 3.02Å; H135-A137 PolarHBondContact O-N 2.57Å
138E52Low58.8Low162 Ų16298 Ų9876%0.75758%0.583SS**  trans-124.694.2168.8-78.5-157.7117.200110.8H135H135-E138 PolarHBondContact ND1-O 2.75Å; H135-E138 CarbonylContact O-C 3.57Å; H135-E138 PolarHBondContact O-N 3.29Å
139P46.8Very low57Low99 Ų99103.3 Ų103.364%0.64362%0.618SS**  -149.3112109.531.3-11.5000114.8H135H135-P139 WeakPolarHBondContact O-CD 3.24Å
140A39.9Very low54.4Low107 Ų107112.3 Ų112.388%0.88466%0.657SS**  trans-136.791.8154.100000108.4
141A43.6Very low51.9Low92 Ų92110.3 Ų110.376%0.7666%0.663SS**  trans-85.6-177.4-168.800000113
142P54.7Low49.4Very low113 Ų113116.2 Ų116.273%0.73469%0.694SS**  -136.2152.1-53.435-20.7000113.6
143T34.9Very low47.4Very low138 Ų138118.7 Ų118.785%0.84772%0.716SS**  trans-169.6138.9149.837.60000113.4
144D38.1Very low45.5Very low148 Ų148122.3 Ų122.379%0.79174%0.735SS**  trans29.1136.2144.6-81.6-45000125
145V38Very low44.1Very low119 Ų119126.8 Ų126.872%0.72176%0.756SS**  trans67.9106.8141.6-179.60000119.9
146T40.2Very low43.2Very low120 Ų120129.4 Ų129.474%0.73677%0.774SS**  trans40.7104.9136.2-48.30000119.7
147T33.8Very low42.6Very low135 Ų135129.8 Ų129.883%0.82878%0.784SS**  -174.9146.4120.818.70000113.5
148L38.6Very low42.6Very low162 Ų162132.3 Ų132.385%0.84879%0.786SS**  trans-98.9167.5155.3-8881.2000108.6
149P54.5Low42.6Very low112 Ų112130.3 Ų130.373%0.72779%0.785SS**  cis-133.7174.4-3036.9-21.6000112.7
150K34.8Very low42.5Very low204 Ų204132.3 Ų132.389%0.88779%0.79SS**  trans-149.2145151.3-13973.7175.3-174.80111
151A35.4Very low42.9Very low77 Ų77131.4 Ų131.464%0.63678%0.777SS**  trans-93.6158.7172.400000110.4
152D35.6Very low43.3Very low162 Ų162133.5 Ų133.587%0.86678%0.775SS**  -174.6159.6109.4-92.8-26.1000113.2
153S44.4Very low43.1Very low99 Ų99136.2 Ų136.269%0.69278%0.778SS**SBendtrans75.1115.8165.5-102.70000120.9
154N45.3Very low43.6Very low152 Ų152140 Ų14081%0.81378%0.778SS**  trans78.656.6141.1-49.6-33.1000120.1
155Q47.5Very low44.8Very low199 Ų199138.1 Ų138.193%0.9378%0.777SS**  trans-84.1117.5152.5-74.7-178.1-21.700110.8
156N41.3Very low45.7Very low164 Ų164139 Ų13988%0.87778%0.777SS**  trans-84.8110.7167.3-179.421.6000109N158N156-N158 PolarHBondContact O-N 3.3Å
157G44.3Very low46Very low75 Ų75141.9 Ų141.977%0.77378%0.78SS**  trans-78.5105.4-169.800000114.3
158N49.9Very low46.5Very low139 Ų139143.7 Ų143.774%0.74378%0.779SS**  trans-155.190159.7178.418.9000111.7N156N156-N158 PolarHBondContact O-N 3.3Å
159T52.1Low46.6Very low120 Ų120143.6 Ų143.674%0.73678%0.779SS**  trans-150.3112.1154.1-68.50000107.1S161T159-S161 PolarHBondContact O-N 3.29Å
160N46.4Very low46.2Very low142 Ų142146.9 Ų146.976%0.75979%0.785SS**  trans-69.9120.9165-74.64.5000108.2
161S47.7Very low46.6Very low87 Ų87145.2 Ų145.261%0.60878%0.78SS**  trans-116.654.3179.366.20000111.3T159 H163T159-S161 PolarHBondContact O-N 3.29Å; S161-H163 PolarHBondContact O-N 3.15Å
162D51.7Low46.7Very low136 Ų136148 Ų14873%0.72778%0.783SS**  trans-72.564171.6-65.8-54000110.6Y164D162-Y164 VanDerWaalsContact C-N 3.3Å; D162-Y164 PolarHBondContact O-N 2.95Å
163H50.5Low46.7Very low171 Ų171146.1 Ų146.179%0.79278%0.777SS**  trans-74.284.8171.1-80.1-69.6000109.7S161 S165S161-H163 PolarHBondContact O-N 3.15Å; H163-S165 VanDerWaalsContact C-N 3.33Å; H163-S165 PolarHBondContact O-N 2.85Å
164Y46.3Very low46.9Very low217 Ų217146.9 Ų146.985%0.85178%0.779SS**  trans-60.596.9162.2-103.2-94.1000109.5D162 D166D162-Y164 VanDerWaalsContact C-N 3.3Å; D162-Y164 PolarHBondContact O-N 2.95Å; Y164-D166 PolarHBondContact O-N 3.15Å
165S62.3Low47Very low109 Ų109144.8 Ų144.876%0.76277%0.774SS**  trans-92.372.8168.81720000108.9H163H163-S165 VanDerWaalsContact C-N 3.33Å; H163-S165 PolarHBondContact O-N 2.85Å
166D57.1Low46.5Very low137 Ų137143.9 Ų143.973%0.73377%0.77SS**  trans-95.3140.9169.1-157.9-7.8000110.1Y164Y164-D166 PolarHBondContact O-N 3.15Å
167K46.1Very low46.9Very low180 Ų180141.6 Ų141.678%0.78376%0.764SS**  trans-166.465.7-152.8-162.7-157.2178.5-168.40115.6
168E43.8Very low46.8Very low174 Ų174147.1 Ų147.181%0.81377%0.77SS**  trans-158138.216536-157.1-147.700112.8
169D41.3Very low46.8Very low159 Ų159145.8 Ų145.885%0.8577%0.769SS**  trans24.1159.7142-49.8-21.1000121.7
170E46.9Very low46.4Very low182 Ų182146.4 Ų146.485%0.8577%0.772SS**  cis-129.5143.96.3-65.1174.3129.700108.9
171E42.8Very low46.5Very low168 Ų168144.9 Ų144.979%0.78577%0.77SS**  52.1106.284.3-157165.6174.900118.6
172I36.1Very low46.3Very low137 Ų137146.6 Ų146.670%0.70378%0.777SS**  trans65121.3152-66.3169.7000120.9
173V36.8Very low45.8Very low122 Ų122145.7 Ų145.774%0.73978%0.776SS**  161.8123.2126.21640000110.8
174P48.8Very low45.8Very low114 Ų114144.1 Ų144.174%0.7477%0.769SS**  trans-96.2147.9150.735.5-29.1000110.4
175P46.5Very low45.8Very low108 Ų108141.2 Ų141.270%0.70176%0.76SS**  -160.1-169.57543.9-22.5000117.6
176E38Very low45Very low180 Ų180141.9 Ų141.984%0.84176%0.762SS**  trans74.3124.1142.3-158.5157.5-152.800122.2
177P48.6Very low44.2Very low117 Ų117142.1 Ų142.176%0.7677%0.768SS**  trans-125.1136.1173.138.5-25.3000116
178E43.9Very low43.9Very low191 Ų191145 Ų14589%0.89377%0.774SS**  trans174.3170153.8-108.6-178.5-140.400110.5
179P48.5Very low43.9Very low110 Ų110141 Ų14171%0.71477%0.766SS**  cis-132.8-169.9-16.734.5-13000115.1
180V44.9Very low44Very low133 Ų133145.7 Ų145.781%0.80677%0.772SS**  trans-65.4162.5-180-120.10000115.7
181P46.7Very low43.7Very low111 Ų111140.8 Ų140.872%0.72177%0.77SS**  -137.5-159.666.327.5-1.2000113.4
182V45.1Very low43.7Very low123 Ų123143.1 Ų143.175%0.74578%0.778SS**  cis-150122.217.2-174.20000113.4
183V40.9Very low44.2Very low116 Ų116141.1 Ų141.170%0.70378%0.781SS**  24.8124.3125.5-1640000117.8
184E49.8Very low44.8Very low138 Ų138141 Ų14165%0.64578%0.783SS**  -167136.475.2-84.2-160173.900117.7
185K46.7Very low44.4Very low156 Ų156142 Ų14268%0.67879%0.787SS**  51.8161.9128.9-55.8175.6-158.9151.50122.6
186P45.4Very low44.2Very low124 Ų124142.9 Ų142.981%0.80579%0.79SS**  cis-133.6-177.8-3537.1-18.9000114.5
187V40Very low44.4Very low142 Ų142140.9 Ų140.986%0.86179%0.79SS**  trans-103.8142.8-174.4173.20000114.2
188R41.1Very low43.9Very low239 Ų239146 Ų14690%0.90279%0.794SS**  trans-168.8161.1155.3-105.2177.4171.6127.6-2.7110.5
189S43.7Very low43.7Very low92 Ų92142.5 Ų142.564%0.64379%0.786SS**  -175.2140.2-60.355.70000109.4
190R43.7Very low43.3Very low256 Ų256142.4 Ų142.497%0.96679%0.789SS**  trans47.4110.2165.3-74.6-177.7170.8173.9-2.2118.5
191G39.2Very low43.2Very low80 Ų80142 Ų14283%0.82579%0.792SS**  trans-136.4132153.800000110.8
192K44.3Very low42.9Very low217 Ų217146 Ų14694%0.94379%0.793SS**  trans-129.8135.6171.3-72.8-173.9177.4-175.10108.5
193A45.2Very low42.8Very low94 Ų94151.1 Ų151.178%0.77780%0.798SS**  trans-139119.117400000110.3
194P49.1Very low42.5Very low120 Ų120152.6 Ų152.678%0.77980%0.797SS**  trans-88.3114.5171.432.5-28.8000110.1T196P194-T196 PolarHBondContact O-N 2.82Å
195V42.1Very low41.7Very low134 Ų134153.2 Ų153.281%0.81281%0.811SS**  trans-74.8117171178.50000108.6V197V195-V197 HydrophobicContact CG1-CG2 4.26Å
196T41.2Very low41.2Very low127 Ų127155 Ų15578%0.77982%0.819SS**  trans-98.8139.6167.961.60000109.5P194P194-T196 PolarHBondContact O-N 2.82Å
197V42.2Very low40.7Very low139 Ų139155.4 Ų155.484%0.84282%0.819SS**  trans-130.1133.5166.6-177.60000107.4V195V195-V197 HydrophobicContact CG1-CG2 4.26Å
198R38.9Very low40.4Very low223 Ų223154.6 Ų154.684%0.84281%0.814SS**  trans-139.3153.3-172.1-157178.6179.5153.5-0.9107.5
199T38.1Very low40.1Very low118 Ų118152.2 Ų152.272%0.72481%0.813SS**  trans58.5107.8167.543.40000116.5
200S41Very low39.7Very low109 Ų109156 Ų15676%0.76282%0.821SS**  70.713372.876.30000115.9
201S42Very low39.2Very low125 Ų125150.5 Ų150.587%0.87482%0.815SS**  trans-162.9169.2143.1-159.30000112.7
202R41Very low38.8Very low195 Ų195153.2 Ų153.274%0.73681%0.809SS**  trans-139.8126.9-170.4172.6-166.4-172.5-130.610.2110.7
203R42.4Very low38.1Very low229 Ų229149.4 Ų149.486%0.86480%0.804SS**  trans-171.7133.6156.1-91.6136.8-167.1-141.44.6106.5
204Q35.7Very low37.6Very low147 Ų147152.8 Ų152.869%0.68780%0.804SS**  cis76.3105.242.5-68.4-170-36.600115.2
205T32.1Very low36.8Very low151 Ų151154.1 Ų154.193%0.92680%0.8SS**  trans-148.7163.5154.433.80000108.7
206K36.2Very low36.3Very low193 Ų193152.8 Ų152.884%0.83979%0.792SS**  trans-118.1133-175-68.1179.1175-176.40112.5V208K206-V208 HydrophobicContact CB-CG2 4.23Å
207V35.8Very low36.5Very low134 Ų134152 Ų15281%0.81279%0.789SS**  trans-156126.6148.5-177.60000105.2
208V33.6Very low35.9Very low124 Ų124155.7 Ų155.775%0.75279%0.794SS**  cis79.471.1-3.8-1600000117.2K206K206-V208 HydrophobicContact CB-CG2 4.23Å
209E35.4Very low35.6Very low190 Ų190155.2 Ų155.289%0.88880%0.798SS**  trans-155.1148134.1-144.1166.9-156.300109.8
210E35.6Very low35.7Very low172 Ų172153.9 Ų153.980%0.80480%0.799SS**  trans-119142.3-179-60.7175117.600110.6
211V31.6Very low35.8Very low140 Ų140154.4 Ų154.485%0.84880%0.802SS**  trans-148.6135.1135.7178.10000108
212I31.1Very low36.4Very low137 Ų137156 Ų15670%0.70379%0.794SS**  trans-104.2143.1175.1-64.9166.1000109.2
213T29.2Very low37Very low136 Ų136150.8 Ų150.883%0.83479%0.787SS**  trans-153.6109153.4-10.50000111.5
214E35Very low37.7Very low165 Ų165144.9 Ų144.977%0.77178%0.776SS**  trans-74.8165.2161-100.2174.915400109.5
215E32.5Very low38.7Very low149 Ų149143.1 Ų143.170%0.69678%0.775SS**  cis-149.3143.524.1-102.9-140-116.200113.4
216T32.3Very low39.9Very low106 Ų106140.6 Ų140.665%0.6575%0.753SS**  trans38.7178.1132.380.60000122.7
217P43.9Very low40.7Very low110 Ų110136.7 Ų136.771%0.71474%0.741SS**  -132.9154-82.140-23.2000116.2
218K30.8Very low41.7Very low217 Ų217136.5 Ų136.594%0.94373%0.734SS**  trans-136.6150.3156.1-75.2-168.9177.91750112
219K32.6Very low42.7Very low212 Ų212136.2 Ų136.292%0.92273%0.728SS**  trans-97.1165.8-164.6-66.8-179.7176.7178.60114.1
220A39.4Very low43.7Very low90 Ų90130.7 Ų130.774%0.74472%0.715SS**  trans100.3152.115800000118.7
221S44.6Very low44.6Very low120 Ų120129.7 Ų129.784%0.83972%0.715SS**  trans54.458.7176.763.40000118.2
222K53.1Low45.8Very low159 Ų159128.3 Ų128.369%0.69170%0.699SS**  trans-140.6104.9151.9-57-171.1-172.3-179.70109.5E226K222-E226 WeakPolarHBondContact CB-OE2 3.22Å; K222-E226 VanDerWaalsContact CD-OE1 3.28Å; K222-E226 WeakPolarHBondContact CD-OE1 3.31Å; K222-E226 IonicContact NZ-OE1 2.65Å
223S54.7Low47Very low86 Ų86128.5 Ų128.560%0.60170%0.7SS**SBendtrans-173.141.8-179.764.60000112.5
224V56.7Low48.4Very low105 Ų105129.7 Ų129.764%0.63670%0.701SS**SBendtrans-148.3-41.1174.4-174.90000110.1
225V56.2Low49.2Very low110 Ų110125.2 Ų125.267%0.66769%0.685SS**Hα-helixtrans-79.8-33.2179.3-155.10000111.9
226E57.5Low50.3Low98 Ų98124.9 Ų124.946%0.45870%0.697SS.*Hα-helixtrans-77.1-33.6-178.1-70.2169.1164.800111.9K222 I228 L229 A230K222-E226 WeakPolarHBondContact CB-OE2 3.22Å; K222-E226 VanDerWaalsContact CD-OE1 3.28Å; K222-E226 WeakPolarHBondContact CD-OE1 3.31Å; K222-E226 IonicContact NZ-OE1 2.65Å; E226-I228 PolarHBondContact O-N 2.88Å; E226-L229 PolarHBondContact O-N 3.04Å; E226-A230 PolarHBondContact O-N 2.92Å
227D53.6Low51.6Low111 Ų111125.2 Ų125.259%0.59470%0.699SS**Hα-helixtrans-63.3-27.3174.8-69.7-20.6000113.3L229D227-L229 VanDerWaalsContact C-N 3.3Å
228I56.1Low52.2Low130 Ų130123.4 Ų123.467%0.66770%0.7SS**Hα-helixtrans-71.9-29.1175.4-63.1169.7000110.9E226E226-I228 PolarHBondContact O-N 2.88Å
229L54.8Low53.5Low117 Ų117118.9 Ų118.961%0.61369%0.685SS**Hα-helixtrans-94.1-23.6-177.2-62173.6000112.8E226 D227 N231 E232E226-L229 PolarHBondContact O-N 3.04Å; D227-L229 VanDerWaalsContact C-N 3.3Å; L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 VanDerWaalsContact O-N 3.11Å; L229-E232 PolarHBondContact O-N 3.45Å; L229-E232 VanDerWaalsContact O-N 3.08Å
230A56.6Low54.5Low75 Ų75112.1 Ų112.162%0.6266%0.664SS**THydrogen-bonded Turntrans-62.1-17.2-179.400000114.7E226 E232E226-A230 PolarHBondContact O-N 2.92Å; A230-E232 VanDerWaalsContact C-N 3.33Å
231N54.6Low55.3Low150 Ų150112 Ų11280%0.80266%0.663SS**THydrogen-bonded Turntrans-78.7-9.7175.1-85.30.3000114.2L229L229-N231 PolarHBondContact O-N 3.1Å; L229-N231 VanDerWaalsContact O-N 3.11Å
232E57.2Low56.1Low112 Ų112112.3 Ų112.352%0.52366%0.66SS.*SBendtrans-96.3118.4173-168151.8-144.100110.6L229 A230 N234 S240L229-E232 PolarHBondContact O-N 3.45Å; L229-E232 VanDerWaalsContact O-N 3.08Å; A230-E232 VanDerWaalsContact C-N 3.33Å; E232-N234 PolarHBondContact O-N 3.28Å; E232-S240 WeakPolarHBondContact OE1-CB 3.42Å; E232-S240 PolarHBondContact OE1-OG 3.04Å
233I56.5Low56.2Low140 Ų140110.9 Ų110.972%0.71867%0.669SS**  trans-77.596.8-167.7-45.4173000109.9T235I233-T235 VanDerWaalsContact C-N 3.27Å; I233-T235 HydrophobicContact CG2-CG2 4.37Å; I233-T235 PolarHBondContact O-N 3.11Å
234N57.3Low56.6Low161 Ų161118.1 Ų118.186%0.86168%0.683SS**  trans-62.279.9178.3-79.1-15.9000113E232E232-N234 PolarHBondContact O-N 3.28Å
235T53.1Low57.1Low71 Ų71122 Ų12244%0.43669%0.686SS.*  trans-88.7142.4165.951.80000109.3I233 T237 G238I233-T235 VanDerWaalsContact C-N 3.27Å; I233-T235 HydrophobicContact CG2-CG2 4.37Å; I233-T235 PolarHBondContact O-N 3.11Å; T235-T237 PolarHBondContact O-N 2.94Å; T235-G238 PolarHBondContact O-N 3Å
236P54.2Low57.4Low143 Ų143122.5 Ų122.593%0.92969%0.692SS**THydrogen-bonded Turntrans-70.18.9-165.828.1-36.8000115.7
237T59.4Low57.9Low113 Ų113125.9 Ų125.969%0.69371%0.711SS**THydrogen-bonded Turntrans-109.3-6174.5-20.40000113.1T235 I239T235-T237 PolarHBondContact O-N 2.94Å; T237-I239 WeakPolarHBondContact O-CG1 3.28Å; T237-I239 PolarHBondContact O-N 3.08Å
238G56.5Low58.4Low72 Ų72129.5 Ų129.574%0.74272%0.717SS**  trans68.430.2172.800000116.1T235T235-G238 PolarHBondContact O-N 3Å
239I58.3Low58.6Low121 Ų121126.5 Ų126.562%0.62172%0.718SS**  trans-124.195.9-178.5-33.6-179.7000111T237 A241T237-I239 WeakPolarHBondContact O-CG1 3.28Å; T237-I239 PolarHBondContact O-N 3.08Å; I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 3.47Å
240S53.4Low58.8Low70 Ų70126.6 Ų126.649%0.4974%0.735SS.*  trans-76.168.2178.941.70000112.8E232 T242E232-S240 WeakPolarHBondContact OE1-CB 3.42Å; E232-S240 PolarHBondContact OE1-OG 3.04Å; S240-T242 PolarHBondContact O-N 2.96Å; S240-T242 VanDerWaalsContact O-N 3.12Å
241A56.3Low58.8Low87 Ų87127 Ų12772%0.71974%0.738SS**  trans-7696.1-18000000112.4I239 C243I239-A241 VanDerWaalsContact C-N 3.27Å; I239-A241 PolarHBondContact O-N 3.47Å; A241-C243 PolarHBondContact O-N 2.83Å
242T61.5Low58.8Low128 Ų128124 Ų12479%0.78574%0.743SS**  trans-67.2127.6172.953.30000111.6S240 R244S240-T242 PolarHBondContact O-N 2.96Å; S240-T242 VanDerWaalsContact O-N 3.12Å; T242-R244 PolarHBondContact O-N 3.25Å
243C55.6Low59Low129 Ų129128.9 Ų128.987%0.87276%0.756SS**  trans-63.6107.7175.4-68.60000110.2A241 R245A241-C243 PolarHBondContact O-N 2.83Å; C243-R245 PolarHBondContact O-N 2.58Å
244R63.3Low59Low237 Ų237128.5 Ų128.589%0.89476%0.763SS**PPolyproline II helixtrans-60.1135.5174.6-64.9-174.6179.1-164.6-0.9109.7T242T242-R244 PolarHBondContact O-N 3.25Å
245R67.7Low59Low187 Ų187126.3 Ų126.371%0.70675%0.751SS**PPolyproline II helixtrans-49.3137.4175.7-71.7174.7167.1144.9-8.5109.9C243 I247 D263C243-R245 PolarHBondContact O-N 2.58Å; R245-I247 PolarHBondContact O-N 3.3Å; R245-D263 IonicContact CZ-OD2 3.52Å; R245-D263 IonicContact NH2-OD2 3.52Å; R245-D263 PolarHBondContact NH2-OD2 3.15Å
246P62.8Low59.3Low121 Ų121130.5 Ų130.579%0.78676%0.763SS**PPolyproline II helixtrans-59139.4179.225.2-34.2000110.3R248P246-R248 PolarHBondContact O-N 3.21Å
247I66.5Low59.6Low169 Ų169129.4 Ų129.487%0.86776%0.756SS**  trans-64.8106.5-174.7-54.6175.4000108.6R245 G249R245-I247 PolarHBondContact O-N 3.3Å; I247-G249 PolarHBondContact O-N 3.11Å
248R64.4Low59.6Low187 Ų187127.6 Ų127.671%0.70675%0.748SS**  trans-57.1126.3173.2-87.3-171.4170.9-1660.6108.4P246 E259P246-R248 PolarHBondContact O-N 3.21Å; R248-E259 IonicContact CZ-OE2 3.51Å; R248-E259 IonicContact NH1-OE2 2.73Å; R248-E259 PolarHBondContact NH1-OE2 3.45Å; R248-E259 IonicContact NH2-OE2 3.78Å; R248-E259 PolarHBondContact NH2-OE2 3.45Å
249G61.5Low59.6Low67 Ų67129.4 Ų129.469%0.69174%0.737SS**  trans-66.5155.2-16700000114.5I247 A251I247-G249 PolarHBondContact O-N 3.11Å; G249-A251 PolarHBondContact O-N 3.15Å
250A58.3Low59.4Low118 Ų118133.2 Ų133.298%0.97575%0.745SS**  trans-7444.3-177.500000114.3
251A55.7Low59.2Low84 Ų84139.5 Ų139.569%0.69476%0.758SS**  trans-92.3104172.500000109.3G249 R253G249-A251 PolarHBondContact O-N 3.15Å; A251-R253 PolarHBondContact O-N 2.99Å
252G54.7Low58.9Low86 Ų86141 Ų14189%0.88775%0.753SS**  trans-62.495.5-172.200000114.4
253R61.2Low58.2Low216 Ų216140.2 Ų140.282%0.81574%0.744SS**  trans-125.9131.5161.5-67.8-172.4176-158.9-1.4108.7A251 L255A251-R253 PolarHBondContact O-N 2.99Å; R253-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact O-N 3.17Å
254P57.9Low57.9Low132 Ų132142.1 Ų142.186%0.85774%0.74SS**  trans-67.3115176.227.1-32.9000109.8
255L56.1Low57.3Low115 Ų115134.7 Ų134.760%0.60272%0.724SS**  trans-74.6136.5177.1-66.4173.2000110.1R253R253-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact O-N 3.17Å
256K60.5Low56.4Low159 Ų159136 Ų13669%0.69173%0.73SS**  trans-75.3142.8174.8-67.5-178.4178.6179.80110S258 E259K256-S258 PolarHBondContact O-N 3.31Å; K256-E259 PolarHBondContact O-N 2.87Å; K256-E259 VanDerWaalsContact O-N 3.1Å
257P59.8Low55.4Low120 Ų120135.8 Ų135.878%0.77973%0.725SS**G310 helixtrans-54.8-22.6179.5-28.535.7000115.3E259 Y260P257-E259 VanDerWaalsContact C-N 3.3Å; P257-E259 PolarHBondContact O-N 2.93Å; P257-Y260 PolarHBondContact O-N 3.33Å
258S60Low54.2Low75 Ų75136.5 Ų136.552%0.52473%0.725SS.*G310 helixtrans-66.1-21.6178.1540000115K256 Y260K256-S258 PolarHBondContact O-N 3.31Å; S258-Y260 VanDerWaalsContact C-N 3.27Å; S258-Y260 PolarHBondContact O-N 3.02Å
259E55.4Low53Low110 Ų110138.5 Ų138.551%0.51473%0.733SS.*G310 helixtrans-75.2-12.7179.3-108.2-173.8-10900113.7R248 K256 P257 W261R248-E259 IonicContact CZ-OE2 3.51Å; R248-E259 IonicContact NH1-OE2 2.73Å; R248-E259 PolarHBondContact NH1-OE2 3.45Å; R248-E259 IonicContact NH2-OE2 3.78Å; R248-E259 PolarHBondContact NH2-OE2 3.45Å; K256-E259 PolarHBondContact O-N 2.87Å; K256-E259 VanDerWaalsContact O-N 3.1Å; P257-E259 VanDerWaalsContact C-N 3.3Å; P257-E259 PolarHBondContact O-N 2.93Å; E259-W261 VanDerWaalsContact C-N 3.34Å; E259-W261 PolarHBondContact O-N 3.45Å
260Y53.9Low51.9Low200 Ų200141 Ų14178%0.78474%0.735SS**G310 helixtrans-78.2-15.5-178.4-163.8-96000113.9P257 S258P257-Y260 PolarHBondContact O-N 3.33Å; S258-Y260 VanDerWaalsContact C-N 3.27Å; S258-Y260 PolarHBondContact O-N 3.02Å
261W49.9Very low51Low202 Ų202140.9 Ų140.977%0.76572%0.722SS**SBendtrans-122.314.5-163.1-80.2101.5000115.7E259E259-W261 VanDerWaalsContact C-N 3.34Å; E259-W261 PolarHBondContact O-N 3.45Å
262L50.8Low50Low120 Ų120145.8 Ų145.863%0.62873%0.73SS**SBendtrans-122.317.8-168.2-73.8175.4000116.4
263D46.2Very low48.9Very low110 Ų110147.3 Ų147.359%0.58872%0.722SS**SBendtrans-103.6-30-176.4-153.534.9000113.8R245R245-D263 IonicContact CZ-OD2 3.52Å; R245-D263 IonicContact NH2-OD2 3.52Å; R245-D263 PolarHBondContact NH2-OD2 3.15Å
264E48.7Very low47.7Very low170 Ų170145.3 Ų145.379%0.79472%0.722SS**SBendtrans-87.7-17.7-174.9-75.4169112.600114.7
265S51.6Low46.4Very low80 Ų80145.3 Ų145.356%0.55973%0.725SS**THydrogen-bonded Turntrans-85.2-6.2-175.161.70000115.2
266R47.3Very low45.2Very low216 Ų216151.5 Ų151.582%0.81574%0.741SS**THydrogen-bonded Turntrans-88.3-15.3-178.9-93.5-176.6173-100-0.2115.1
267V42.9Very low43.8Very low115 Ų115149.8 Ų149.870%0.69775%0.748SS**G310 helixtrans-80.1-30.5-173.3-175.80000112.9R269V267-R269 PolarHBondContact O-N 2.86Å
268Q40.8Very low42.7Very low185 Ų185153 Ų15386%0.86475%0.746SS**G310 helixtrans-85.46.2-171.7-69.9-172.9-1800115.9
269R40.4Very low41.5Very low228 Ų228155.5 Ų155.586%0.8676%0.759SS**G310 helixtrans-118.216.3-166.9-133.7-177-166.7104.61.7116.4V267V267-R269 PolarHBondContact O-N 2.86Å
270T38.3Very low40.4Very low121 Ų121158 Ų15874%0.74277%0.77SS**SBendtrans-96.2-5.1178.947.10000114.3
271V39.3Very low39.3Very low115 Ų115153.2 Ų153.270%0.69776%0.762SS**SBendtrans-109.490.8175-175.30000109.4
272H33.3Very low38.6Very low186 Ų186154.9 Ų154.986%0.86177%0.77SS**  trans166.4110.6140.4-90.8-62.2000109
273T31.4Very low37.8Very low119 Ų119154 Ų15473%0.7377%0.774SS**  trans-96.1142.8-175.3-58.10000111
274E37.3Very low37.3Very low173 Ų173157.9 Ų157.981%0.80879%0.788SS**  trans53.3116.8160.6-74.3170.5-17000120.9
275S29.7Very low36.8Very low132 Ų132154.6 Ų154.692%0.92378%0.782SS**  -149.8157.1118.6-83.90000110.1
276R31.2Very low35.9Very low246 Ų246158.3 Ų158.393%0.92879%0.794SS**  trans-137.6122.7-154.6174.2-169.6179.1-162.31.9112.2
277S31.3Very low35.2Very low122 Ų122153.4 Ų153.485%0.85379%0.793SS**  trans-153.7148.3161.5540000110.8
278Y37Very low34.8Very low188 Ų188153.7 Ų153.774%0.73780%0.8SS**  trans-93.8159.9-178.592.1-54.1000112.2
279T33.6Very low34.7Very low128 Ų128150 Ų15079%0.78580%0.8SS**  trans-162.9154.2130.919.10000108.3
280E32.8Very low34.4Very low161 Ų161144.8 Ų144.875%0.75280%0.799SS**  trans-97.4152.9-167.7-86-172.283.800115.5
281T32.1Very low34.6Very low100 Ų100144.6 Ų144.661%0.61380%0.803SS**  trans41.1109.5135.3-50.90000119
282Y33.9Very low34.6Very low237 Ų237144.8 Ų144.893%0.92981%0.81SS**  -152.6139108.9-114-77.3000110.8
283S34Very low35Very low101 Ų101145.3 Ų145.371%0.70681%0.809SS**  trans-138.2117.9-17359.50000112.7
284Q35.3Very low35.4Very low192 Ų192143.6 Ų143.690%0.89781%0.807SS**  trans-142.3158.6156.7-82.7-152.1-7.500110.9
285P39.5Very low35.8Very low101 Ų101141.3 Ų141.366%0.65681%0.807SS**  trans-125.7163.3-14840.7-26.6000116
286I33.1Very low36.7Very low159 Ų159139.1 Ų139.182%0.81579%0.79SS**  trans62109.7156.3-62.5154.9000114.6
287S31.4Very low38.1Very low113 Ų113136.6 Ų136.679%0.7978%0.78SS**  -169.1138.666.1340000112.6
288S34.4Very low39.5Very low120 Ų120141.6 Ų141.684%0.83978%0.78SS**  trans-153.6133.415955.40000110.3S290S288-S290 PolarHBondContact O-N 3.23Å
289A39.6Very low40.7Very low107 Ų107134.8 Ų134.888%0.88477%0.768SS**  trans-81.8114.6-176.800000111.1S291A289-S291 PolarHBondContact O-N 3.43Å
290S34.7Very low42Very low119 Ų119135.2 Ų135.283%0.83276%0.759SS**  trans-87.877.5179.4176.10000112.1S288 S292S288-S290 PolarHBondContact O-N 3.23Å; S290-S292 PolarHBondContact O-N 2.96Å
291S41.4Very low43.8Very low117 Ų117133.2 Ų133.282%0.81875%0.748SS**  trans-74.6118.7167.5-173.20000110.4A289 K293A289-S291 PolarHBondContact O-N 3.43Å; S291-K293 PolarHBondContact O-N 2.83Å
292S40.4Very low46.1Very low120 Ų120131.1 Ų131.184%0.83974%0.738SS**  trans-84100.4-174.543.50000112.4S290S290-S292 PolarHBondContact O-N 2.96Å
293K41Very low48.6Very low197 Ų197125 Ų12586%0.85772%0.72SS**  trans-131.7156.4162.4-145.4158.1-173.9172.30110.3S291S291-K293 PolarHBondContact O-N 2.83Å
294A40.4Very low51.2Low82 Ų82125.3 Ų125.368%0.67871%0.713SS**  trans-45.9144.4-164.100000114.3P296A294-P296 VanDerWaalsContact O-CD 3.24Å; A294-P296 WeakPolarHBondContact O-CD 3.27Å
295P44.4Very low54Low126 Ų126121.3 Ų121.382%0.81870%0.697SS**  trans-56.1111.5-173.322.8-34.3000110.9
296P49.7Very low56.5Low86 Ų86122.8 Ų122.856%0.55869%0.693SS**  trans-67150.7179.128.3-33.9000109.1A294 R298 F301A294-P296 VanDerWaalsContact O-CD 3.24Å; A294-P296 WeakPolarHBondContact O-CD 3.27Å; P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 PolarHBondContact O-N 3.26Å; P296-F301 HydrophobicContact CB-CD2 4.2Å; P296-F301 HydrophobicContact CB-CE2 3.92Å
297R60.4Low59.5Low192 Ų192120.1 Ų120.173%0.72568%0.68SS**  trans-65.487.7177.1-67.3-178.5169-171.8-3.2109.9G299 F300R297-G299 PolarHBondContact O-N 2.87Å; R297-F300 HydrophobicContact CB-CD2 3.81Å; R297-F300 HydrophobicContact CB-CE2 4.4Å; R297-F300 PolarHBondContact O-N 3.45Å; R297-F300 VanDerWaalsContact O-N 3.11Å
298R59.5Low62.6Low227 Ų227119.9 Ų119.986%0.85767%0.669SS**Hα-helixtrans-60.1-19.6-160.3-157.5173.2-176.4-178.60.4115.2P296P296-R298 VanDerWaalsContact C-N 3.28Å; P296-R298 PolarHBondContact O-N 3.26Å
299G63.2Low65.5Low46 Ų46119.2 Ų119.247%0.47466%0.656SS.*Hα-helixtrans-72.9-47.8173.600000114.3R297 F301 S302 L303R297-G299 PolarHBondContact O-N 2.87Å; G299-F301 PolarHBondContact O-N 3.28Å; G299-S302 PolarHBondContact O-N 3.23Å; G299-L303 PolarHBondContact O-N 2.86Å; G299-L303 VanDerWaalsContact O-N 3.15Å
300F61.3Low68.3Low137 Ų137119.2 Ų119.260%0.60164%0.64SS**Hα-helixtrans-68.2-38.9-169.3-66.4-74.2000113.3R297 S302 L303 L304R297-F300 HydrophobicContact CB-CD2 3.81Å; R297-F300 HydrophobicContact CB-CE2 4.4Å; R297-F300 PolarHBondContact O-N 3.45Å; R297-F300 VanDerWaalsContact O-N 3.11Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 2.92Å; F300-L303 PolarHBondContact O-N 2.89Å; F300-L304 WeakPolarHBondContact O-CB 3.43Å; F300-L304 PolarHBondContact O-N 3.43Å
301F69.8Low71.2Confident119 Ų119117.7 Ų117.752%0.52263%0.626SS.*Hα-helixtrans-65.5-33.8175.9-68.8-78.1000112.5P296 G299 L304 I305P296-F301 HydrophobicContact CB-CD2 4.2Å; P296-F301 HydrophobicContact CB-CE2 3.92Å; G299-F301 PolarHBondContact O-N 3.28Å; F301-L304 PolarHBondContact O-N 2.86Å; F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 WeakPolarHBondContact O-CD1 3.34Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.49Å; F301-I305 PolarHBondContact O-N 3.18Å
302S80.3Confident73.9Confident56 Ų56116.1 Ų116.139%0.39261%0.611SS.*Hα-helixtrans-66.4-40.6173.6-174.70000111.7G299 F300 K306G299-S302 PolarHBondContact O-N 3.23Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 2.92Å; S302-K306 WeakPolarHBondContact O-CB 3.47Å; S302-K306 VanDerWaalsContact O-CG 3.26Å; S302-K306 WeakPolarHBondContact O-CG 3.13Å; S302-K306 PolarHBondContact O-N 2.67Å
303L86.8Confident76.6Confident108 Ų108114.8 Ų114.857%0.56560%0.598SS**Hα-helixtrans-67.4-39.9175.2-65.8173.6000112.1G299 F300 K306 L307G299-L303 PolarHBondContact O-N 2.86Å; G299-L303 VanDerWaalsContact O-N 3.15Å; F300-L303 PolarHBondContact O-N 2.89Å; L303-K306 PolarHBondContact O-N 2.91Å; L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 PolarHBondContact O-N 3.33Å
304L89Confident79.2Confident107 Ų107109.4 Ų109.456%0.5658%0.581SS**Hα-helixtrans-64.9-41.9176.6-17464.6000112F300 F301 L307 L308F300-L304 WeakPolarHBondContact O-CB 3.43Å; F300-L304 PolarHBondContact O-N 3.43Å; F301-L304 PolarHBondContact O-N 2.86Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-L308 WeakPolarHBondContact O-CB 3.23Å; L304-L308 PolarHBondContact O-N 3.35Å
305I93.1Very high81.9Confident108 Ų108107.4 Ų107.455%0.55457%0.568SS**Hα-helixtrans-65.3-40175.1-69.8164.4000111F301 L308 L309F301-I305 WeakPolarHBondContact O-CB 3.4Å; F301-I305 WeakPolarHBondContact O-CD1 3.34Å; F301-I305 VanDerWaalsContact O-CG1 3.23Å; F301-I305 WeakPolarHBondContact O-CG1 3.49Å; F301-I305 PolarHBondContact O-N 3.18Å; I305-L308 PolarHBondContact O-N 2.79Å; I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 2.85Å
306K93.4Very high84.3Confident132 Ų132104.9 Ų104.957%0.57455%0.553SS**Hα-helixtrans-63.5-40.4173.5-74.7172.4178.7-173.80112.3S302 L303 L309 L310S302-K306 WeakPolarHBondContact O-CB 3.47Å; S302-K306 VanDerWaalsContact O-CG 3.26Å; S302-K306 WeakPolarHBondContact O-CG 3.13Å; S302-K306 PolarHBondContact O-N 2.67Å; L303-K306 PolarHBondContact O-N 2.91Å; K306-L309 PolarHBondContact O-N 3.47Å; K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 2.85Å
307L95.9Very high86.3Confident104 Ų104106.7 Ų106.755%0.54556%0.558SS.*Hα-helixtrans-67.3-42.1176.5-168.2157.4000111.1L303 L304 L310 V311L303-L307 WeakPolarHBondContact O-CB 3.43Å; L303-L307 PolarHBondContact O-N 3.33Å; L304-L307 PolarHBondContact O-N 2.85Å; L307-L310 WeakPolarHBondContact O-CB 3.24Å; L307-L310 PolarHBondContact O-N 2.99Å; L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.13Å
308L95.9Very high87.9Confident108 Ų108104.6 Ų104.657%0.56555%0.551SS**Hα-helixtrans-61.8-44.2174.3-171.7155.9000111.2L304 I305 L310 V311 V312L304-L308 WeakPolarHBondContact O-CB 3.23Å; L304-L308 PolarHBondContact O-N 3.35Å; I305-L308 PolarHBondContact O-N 2.79Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.3Å; L308-V311 PolarHBondContact O-N 3.41Å; L308-V312 HydrophobicContact CD2-CG2 4.08Å; L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.35Å
309L96.2Very high89.5Confident105 Ų105101.4 Ų101.455%0.5554%0.54SS..Hα-helixtrans-59.1-42.3172.1-97.2166.1000112.3I305 K306 V312 V313I305-L309 WeakPolarHBondContact O-CB 3.46Å; I305-L309 PolarHBondContact O-N 2.85Å; K306-L309 PolarHBondContact O-N 3.47Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.25Å
310L96.5Very high90.7Very high108 Ų108101.2 Ų101.257%0.56553%0.534SS*.Hα-helixtrans-62.4-42.6175.3-173.9154.8000111.5K306 L307 L308 V313 V314K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 2.85Å; L307-L310 WeakPolarHBondContact O-CB 3.24Å; L307-L310 PolarHBondContact O-N 2.99Å; L308-L310 VanDerWaalsContact C-N 3.33Å; L308-L310 PolarHBondContact O-N 3.3Å; L310-V313 PolarHBondContact O-N 3.12Å; L310-V314 HydrophobicContact CD2-CG2 3.95Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 WeakPolarHBondContact O-CG2 3.35Å; L310-V314 PolarHBondContact O-N 2.91Å
311V96.9Very high91.9Very high87 Ų87102.2 Ų102.253%0.52754%0.535SS..Hα-helixtrans-64.1-38.6175.1170.60000111.6L307 L308 G315L307-V311 HydrophobicContact CD2-CG2 3.97Å; L307-V311 WeakPolarHBondContact O-CG2 3.39Å; L307-V311 PolarHBondContact O-N 3.13Å; L308-V311 PolarHBondContact O-N 3.41Å; V311-G315 PolarHBondContact O-N 3.33Å
312V97.3Very high92.8Very high84 Ų84102.1 Ų102.151%0.50954%0.536SS..Hα-helixtrans-65.5-41173.4170.50000111.4L308 L309 S316L308-V312 HydrophobicContact CD2-CG2 4.08Å; L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.35Å; L309-V312 PolarHBondContact O-N 2.82Å; V312-S316 WeakPolarHBondContact O-CB 3.36Å; V312-S316 PolarHBondContact O-N 2.77Å
313V97.4Very high92.9Very high92 Ų92104.1 Ų104.156%0.55854%0.542SS*.Hα-helixtrans-66.2-46.3176.2169.50000111.4L309 L310 S316 L317L309-V313 WeakPolarHBondContact O-CG2 3.45Å; L309-V313 PolarHBondContact O-N 3.25Å; L310-V313 PolarHBondContact O-N 3.12Å; V313-S316 PolarHBondContact O-N 3.36Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 3.25Å
314V96.6Very high92.6Very high84 Ų84102.2 Ų102.251%0.50953%0.533SS..Hα-helixtrans-66.4-40.2177.5173.30000111.2L310 L317 Y318L310-V314 HydrophobicContact CD2-CG2 3.95Å; L310-V314 WeakPolarHBondContact O-CB 3.45Å; L310-V314 WeakPolarHBondContact O-CG2 3.35Å; L310-V314 PolarHBondContact O-N 2.91Å; V314-L317 PolarHBondContact O-N 2.74Å; V314-Y318 WeakPolarHBondContact O-CB 3.47Å; V314-Y318 PolarHBondContact O-N 3.42Å
315G96.3Very high92.1Very high39 Ų3999.3 Ų99.340%0.40252%0.521SS..Hα-helixtrans-64.3-39.8174.500000112.6V311 Y319V311-G315 PolarHBondContact O-N 3.33Å; G315-Y319 VanDerWaalsContact O-CB 3.29Å; G315-Y319 WeakPolarHBondContact O-CB 3.4Å; G315-Y319 PolarHBondContact O-N 3.33Å
316S93.9Very high91.4Very high73 Ų7398 Ų9851%0.5152%0.521SS..Hα-helixtrans-66.1-40.6173.2-173.70000111.9V312 V313 Y319 A320V312-S316 WeakPolarHBondContact O-CB 3.36Å; V312-S316 PolarHBondContact O-N 2.77Å; V313-S316 PolarHBondContact O-N 3.36Å; S316-Y319 PolarHBondContact O-N 2.85Å; S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 2.72Å
317L92.5Very high90.8Very high124 Ų12497.3 Ų97.365%0.64952%0.524SS*.Hα-helixtrans-68.6-38177.2-162.371.9000111.9V313 V314 A320 Y321V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 3.25Å; V314-L317 PolarHBondContact O-N 2.74Å; L317-A320 PolarHBondContact O-N 3.2Å; L317-Y321 WeakPolarHBondContact O-CB 3.38Å; L317-Y321 PolarHBondContact O-N 3.09Å
318Y93.9Very high90.1Very high148 Ų14897.7 Ų97.758%0.5852%0.523SS*.Hα-helixtrans-66.5-42.6171.6-178.4-99.9000111.6V314 Y321 Q322V314-Y318 WeakPolarHBondContact O-CB 3.47Å; V314-Y318 PolarHBondContact O-N 3.42Å; Y318-Y321 PolarHBondContact O-N 2.91Å; Y318-Q322 HydrophobicContact CD1-CG 4.14Å; Y318-Q322 HydrophobicContact CE1-CG 3.8Å; Y318-Q322 HydrophobicContact CE2-CG 4.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.36Å; Y318-Q322 VanDerWaalsContact O-CG 3.24Å; Y318-Q322 WeakPolarHBondContact O-CG 3.34Å; Y318-Q322 PolarHBondContact O-N 3.46Å
319Y93.8Very high89.4Confident161 Ų16195 Ų9563%0.63151%0.508SS*.Hα-helixtrans-62.6-42.4173.8-178.7-97.8000111.6G315 S316 Q322 N323G315-Y319 VanDerWaalsContact O-CB 3.29Å; G315-Y319 WeakPolarHBondContact O-CB 3.4Å; G315-Y319 PolarHBondContact O-N 3.33Å; S316-Y319 PolarHBondContact O-N 2.85Å; Y319-Q322 PolarHBondContact O-N 2.81Å; Y319-N323 WeakPolarHBondContact CE2-ND2 3.18Å; Y319-N323 PolarHBondContact O-N 3.12Å; Y319-N323 VanDerWaalsContact O-N 3.13Å; Y319-N323 PolarHBondContact O-ND2 2.88Å
320A88.3Confident88.9Confident42 Ų4294 Ų9435%0.34750%0.504SS..Hα-helixtrans-60.2-48.5173.900000111S316 L317 Q322 N323 L324S316-A320 WeakPolarHBondContact O-CB 3.4Å; S316-A320 PolarHBondContact O-N 2.72Å; L317-A320 PolarHBondContact O-N 3.2Å; A320-Q322 PolarHBondContact O-N 3.28Å; A320-N323 CarbonylContact O-C 3.49Å; A320-N323 PolarHBondContact O-N 3.43Å; A320-N323 VanDerWaalsContact O-N 3.12Å; A320-L324 WeakPolarHBondContact O-CB 3.37Å; A320-L324 PolarHBondContact O-N 3.17Å
321Y87.2Confident88.4Confident158 Ų15894.1 Ų94.162%0.6251%0.509SS*.Hα-helixtrans-56.4-45.3175.7179.6-91.8000112.6L317 Y318 N323 L324L317-Y321 WeakPolarHBondContact O-CB 3.38Å; L317-Y321 PolarHBondContact O-N 3.09Å; Y318-Y321 PolarHBondContact O-N 2.91Å; Y321-N323 PolarHBondContact O-N 2.86Å; Y321-L324 PolarHBondContact O-N 3.5Å
322Q87.1Confident87.6Confident116 Ų11695.2 Ų95.254%0.54251%0.511SS..Hα-helixtrans-69-17.7178.9-68.7-70.4103.700114Y318 Y319 A320Y318-Q322 HydrophobicContact CD1-CG 4.14Å; Y318-Q322 HydrophobicContact CE1-CG 3.8Å; Y318-Q322 HydrophobicContact CE2-CG 4.28Å; Y318-Q322 WeakPolarHBondContact O-CB 3.36Å; Y318-Q322 VanDerWaalsContact O-CG 3.24Å; Y318-Q322 WeakPolarHBondContact O-CG 3.34Å; Y318-Q322 PolarHBondContact O-N 3.46Å; Y319-Q322 PolarHBondContact O-N 2.81Å; A320-Q322 PolarHBondContact O-N 3.28Å
323N83.5Confident87Confident98 Ų9896.2 Ų96.252%0.52451%0.509SS..THydrogen-bonded Turntrans-106.93.5175.9-69.9-84.3000113Y319 A320 Y321Y319-N323 WeakPolarHBondContact CE2-ND2 3.18Å; Y319-N323 PolarHBondContact O-N 3.12Å; Y319-N323 VanDerWaalsContact O-N 3.13Å; Y319-N323 PolarHBondContact O-ND2 2.88Å; A320-N323 CarbonylContact O-C 3.49Å; A320-N323 PolarHBondContact O-N 3.43Å; A320-N323 VanDerWaalsContact O-N 3.12Å; Y321-N323 PolarHBondContact O-N 2.86Å
324L79.9Confident86.5Confident69 Ų6993.9 Ų93.936%0.36150%0.503SS..  trans-85.9118.4-176.6-134.157.8000109.8A320 Y321 I329A320-L324 WeakPolarHBondContact O-CB 3.37Å; A320-L324 PolarHBondContact O-N 3.17Å; Y321-L324 PolarHBondContact O-N 3.5Å; L324-I329 HydrophobicContact CB-CD1 4.28Å; L324-I329 HydrophobicContact CB-CG1 4.27Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG1 3.59Å; L324-I329 HydrophobicContact CG-CD1 4.38Å; L324-I329 HydrophobicContact CG-CG1 3.84Å
325S79Confident86Confident45 Ų4595.5 Ų95.532%0.31551%0.508SS..  trans-75.3149.8168.378.50000110.3D327 Q328 I329S325-D327 WeakPolarHBondContact CB-OD2 3.46Å; S325-D327 PolarHBondContact O-N 2.8Å; S325-D327 PolarHBondContact OG-OD2 3.43Å; S325-Q328 PolarHBondContact O-N 2.99Å; S325-I329 PolarHBondContact O-N 2.8Å
326S77.9Confident85.5Confident81 Ų8198.8 Ų98.857%0.56652%0.516SS*.Hα-helixtrans-53-37.8177.6-52.70000112.1Q328 I329 D330S326-Q328 VanDerWaalsContact C-N 3.3Å; S326-Q328 PolarHBondContact O-N 3.38Å; S326-I329 WeakPolarHBondContact O-CB 3.29Å; S326-I329 PolarHBondContact O-N 2.89Å; S326-I329 VanDerWaalsContact O-N 3.09Å; S326-D330 PolarHBondContact O-N 2.8Å
327D80.1Confident85.2Confident117 Ų11799.7 Ų99.763%0.62652%0.515SS*.Hα-helixtrans-59.9-39179.2-23.5-68.2000112S325 V331S325-D327 WeakPolarHBondContact CB-OD2 3.46Å; S325-D327 PolarHBondContact O-N 2.8Å; S325-D327 PolarHBondContact OG-OD2 3.43Å; D327-V331 WeakPolarHBondContact O-CB 3.36Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.37Å; D327-V331 PolarHBondContact O-N 2.92Å
328Q81.4Confident85Confident113 Ų11396.9 Ų96.953%0.52851%0.51SS..Hα-helixtrans-71.7-35.9176.1-65-178.716.700111.9S325 S326 L332S325-Q328 PolarHBondContact O-N 2.99Å; S326-Q328 VanDerWaalsContact C-N 3.3Å; S326-Q328 PolarHBondContact O-N 3.38Å; Q328-L332 VanDerWaalsContact O-CB 3.29Å; Q328-L332 WeakPolarHBondContact O-CB 3.35Å; Q328-L332 PolarHBondContact O-N 3.39Å
329I82.8Confident84.7Confident50 Ų5094.1 Ų94.126%0.25651%0.508SS..Hα-helixtrans-63.5-45175.2-65.1171.8000110.2L324 S325 S326 L332 K333L324-I329 HydrophobicContact CB-CD1 4.28Å; L324-I329 HydrophobicContact CB-CG1 4.27Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG1 3.59Å; L324-I329 HydrophobicContact CG-CD1 4.38Å; L324-I329 HydrophobicContact CG-CG1 3.84Å; S325-I329 PolarHBondContact O-N 2.8Å; S326-I329 WeakPolarHBondContact O-CB 3.29Å; S326-I329 PolarHBondContact O-N 2.89Å; S326-I329 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 3.32Å; I329-K333 HydrophobicContact CG2-CD 4.44Å; I329-K333 WeakPolarHBondContact O-CG 3.27Å; I329-K333 PolarHBondContact O-N 2.96Å
330D84.2Confident84.5Confident86 Ų8688.7 Ų88.746%0.4649%0.491SS..Hα-helixtrans-77.2-31-175.9-66.7-28.1000112.5S326 K333 G334S326-D330 PolarHBondContact O-N 2.8Å; D330-K333 IonicContact OD1-NZ 3.63Å; D330-K333 PolarHBondContact OD1-NZ 3.01Å; D330-G334 PolarHBondContact O-N 3.27Å
331V85.9Confident84.5Confident110 Ų11090.7 Ų90.767%0.66750%0.499SS*.Hα-helixtrans-62.1-42.4165167.80000111.3D327 G334 L335D327-V331 WeakPolarHBondContact O-CB 3.36Å; D327-V331 VanDerWaalsContact O-CG2 3.26Å; D327-V331 WeakPolarHBondContact O-CG2 3.37Å; D327-V331 PolarHBondContact O-N 2.92Å; V331-G334 PolarHBondContact O-N 2.99Å; V331-L335 WeakPolarHBondContact O-CB 3.39Å; V331-L335 PolarHBondContact O-N 2.89Å
332L81.5Confident84.6Confident109 Ų10986.5 Ų86.557%0.57149%0.491SS*.Hα-helixtrans-68.9-38.3178.8-176.161.4000112.4Q328 I329 L335 L336Q328-L332 VanDerWaalsContact O-CB 3.29Å; Q328-L332 WeakPolarHBondContact O-CB 3.35Å; Q328-L332 PolarHBondContact O-N 3.39Å; I329-L332 PolarHBondContact O-N 3.32Å; L332-L335 PolarHBondContact O-N 3Å; L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 PolarHBondContact O-N 2.86Å
333K83.1Confident84.6Confident106 Ų10685 Ų8546%0.46149%0.49SS..Hα-helixtrans-61.3-48.5170.1-72.4174.4-166.4151.80111.3I329 D330 L335 L336 D337I329-K333 HydrophobicContact CG2-CD 4.44Å; I329-K333 WeakPolarHBondContact O-CG 3.27Å; I329-K333 PolarHBondContact O-N 2.96Å; D330-K333 IonicContact OD1-NZ 3.63Å; D330-K333 PolarHBondContact OD1-NZ 3.01Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.47Å; K333-L336 CarbonylContact O-C 3.58Å; K333-L336 WeakPolarHBondContact O-CA 3.5Å; K333-L336 WeakPolarHBondContact O-CB 3.41Å; K333-L336 PolarHBondContact O-N 3.3Å; K333-D337 PolarHBondContact O-N 3.09Å
334G87.9Confident84.6Confident42 Ų4285.4 Ų85.443%0.43349%0.489SS..Hα-helixtrans-59.2-38.4178.800000112.7D330 V331 A338D330-G334 PolarHBondContact O-N 3.27Å; V331-G334 PolarHBondContact O-N 2.99Å; G334-A338 WeakPolarHBondContact O-CB 3.43Å; G334-A338 PolarHBondContact O-N 3.23Å
335L86.3Confident84.8Confident118 Ų11884.7 Ų84.762%0.61849%0.49SS*.Hα-helixtrans-67.4-38.4172.6-170.871.3000112.3V331 L332 K333 V339V331-L335 WeakPolarHBondContact O-CB 3.39Å; V331-L335 PolarHBondContact O-N 2.89Å; L332-L335 PolarHBondContact O-N 3Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.47Å; L335-V339 PolarHBondContact O-N 3.03Å
336L84.6Confident85.1Confident108 Ų10885.2 Ų85.257%0.56550%0.497SS*.Hα-helixtrans-69-48.3178.6-169.767.9000111.4L332 K333 A338 V339 V340L332-L336 WeakPolarHBondContact O-CB 3.32Å; L332-L336 PolarHBondContact O-N 2.86Å; K333-L336 CarbonylContact O-C 3.58Å; K333-L336 WeakPolarHBondContact O-CA 3.5Å; K333-L336 WeakPolarHBondContact O-CB 3.41Å; K333-L336 PolarHBondContact O-N 3.3Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 3.34Å; L336-V339 PolarHBondContact O-N 3.17Å; L336-V340 HydrophobicContact CD1-CG2 4.21Å; L336-V340 HydrophobicContact CG-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CB 3.36Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 2.9Å
337D88.8Confident85.5Confident92 Ų9285.9 Ų85.949%0.49250%0.497SS..Hα-helixtrans-61.4-38.5176.8-71.8-18.5000111.3K333 V339 V340 V341K333-D337 PolarHBondContact O-N 3.09Å; D337-V339 PolarHBondContact O-N 2.83Å; D337-V339 VanDerWaalsContact O-N 3.14Å; D337-V340 PolarHBondContact O-N 3.5Å; D337-V341 WeakPolarHBondContact O-CB 3.33Å; D337-V341 WeakPolarHBondContact O-CG2 3.41Å; D337-V341 PolarHBondContact O-N 2.98Å
338A88.9Confident85.8Confident65 Ų6586 Ų8654%0.53749%0.494SS..Hα-helixtrans-62.5-16.8174.400000114.2G334 L336 P342G334-A338 WeakPolarHBondContact O-CB 3.43Å; G334-A338 PolarHBondContact O-N 3.23Å; L336-A338 VanDerWaalsContact C-N 3.3Å; L336-A338 PolarHBondContact O-N 3.34Å; A338-P342 WeakPolarHBondContact O-CD 3.46Å; A338-P342 WeakPolarHBondContact O-CG 3.38Å
339V87.8Confident86Confident90 Ų9085 Ų8555%0.54550%0.495SS..Hα-helixtrans-103.2-39.2173177.20000111.5L335 L336 D337 V343L335-V339 PolarHBondContact O-N 3.03Å; L336-V339 PolarHBondContact O-N 3.17Å; D337-V339 PolarHBondContact O-N 2.83Å; D337-V339 VanDerWaalsContact O-N 3.14Å; V339-V343 VanDerWaalsContact O-CG2 3.28Å; V339-V343 WeakPolarHBondContact O-CG2 3.29Å; V339-V343 PolarHBondContact O-N 3.26Å
340V88.3Confident86Confident47 Ų4784.8 Ų84.829%0.28550%0.501SS..Hα-helixtrans-71.9-41.5-177170.60000112L336 D337 V343 Q344L336-V340 HydrophobicContact CD1-CG2 4.21Å; L336-V340 HydrophobicContact CG-CG2 4.06Å; L336-V340 WeakPolarHBondContact O-CB 3.36Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 2.9Å; D337-V340 PolarHBondContact O-N 3.5Å; V340-V343 PolarHBondContact O-N 3.44Å; V340-Q344 HydrophobicContact CG1-CG 4.04Å; V340-Q344 WeakPolarHBondContact O-CB 3.42Å; V340-Q344 WeakPolarHBondContact O-CG 3.28Å; V340-Q344 PolarHBondContact O-N 2.71Å
341V89.4Confident85.9Confident84 Ų8482 Ų8251%0.50949%0.49SS..Hα-helixtrans-65.3-43.3-179.1174.80000112.5D337 V343 S345D337-V341 WeakPolarHBondContact O-CB 3.33Å; D337-V341 WeakPolarHBondContact O-CG2 3.41Å; D337-V341 PolarHBondContact O-N 2.98Å; V341-V343 VanDerWaalsContact C-N 3.34Å; V341-V343 PolarHBondContact O-N 3.03Å; V341-S345 WeakPolarHBondContact O-CB 3.41Å; V341-S345 PolarHBondContact O-N 2.95Å; V341-S345 PolarHBondContact O-OG 3.05Å
342P88.3Confident85.9Confident70 Ų7082 Ų8246%0.45549%0.486SS..Hα-helixtrans-60.8-38.6169.9-27.336.8000113.8A338 S345 A346A338-P342 WeakPolarHBondContact O-CD 3.46Å; A338-P342 WeakPolarHBondContact O-CG 3.38Å; P342-S345 WeakPolarHBondContact CA-OG 3.3Å; P342-S345 PolarHBondContact O-OG 2.93Å; P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.42Å; P342-A346 PolarHBondContact O-N 3.09Å
343V86.3Confident85.7Confident84 Ų8487.2 Ų87.251%0.50950%0.5SS..Hα-helixtrans-71.1-41.3179.3170.80000111.6V339 V340 V341 A346 V347V339-V343 VanDerWaalsContact O-CG2 3.28Å; V339-V343 WeakPolarHBondContact O-CG2 3.29Å; V339-V343 PolarHBondContact O-N 3.26Å; V340-V343 PolarHBondContact O-N 3.44Å; V341-V343 VanDerWaalsContact C-N 3.34Å; V341-V343 PolarHBondContact O-N 3.03Å; V343-A346 PolarHBondContact O-N 2.9Å; V343-V347 WeakPolarHBondContact O-CG2 3.35Å; V343-V347 PolarHBondContact O-N 2.8Å
344Q83.8Confident85.6Confident107 Ų10788 Ų8850%0.551%0.508SS..Hα-helixtrans-64.4-46.7175.6-75.7177.3-20.500111.3V340 A346 V347 E348V340-Q344 HydrophobicContact CG1-CG 4.04Å; V340-Q344 WeakPolarHBondContact O-CB 3.42Å; V340-Q344 WeakPolarHBondContact O-CG 3.28Å; V340-Q344 PolarHBondContact O-N 2.71Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.13Å; Q344-V347 CarbonylContact O-C 3.58Å; Q344-V347 PolarHBondContact O-N 3.17Å; Q344-V347 VanDerWaalsContact O-N 3.09Å; Q344-E348 WeakPolarHBondContact O-CB 3.38Å; Q344-E348 WeakPolarHBondContact O-CG 3.48Å; Q344-E348 PolarHBondContact O-N 2.99Å
345S83.9Confident84.8Confident55 Ų5589.1 Ų89.139%0.38552%0.52SS..Hα-helixtrans-65.2-31.9176.453.90000113.2V341 P342 T349V341-S345 WeakPolarHBondContact O-CB 3.41Å; V341-S345 PolarHBondContact O-N 2.95Å; V341-S345 PolarHBondContact O-OG 3.05Å; P342-S345 WeakPolarHBondContact CA-OG 3.3Å; P342-S345 PolarHBondContact O-OG 2.93Å; S345-T349 WeakPolarHBondContact O-CB 3.47Å; S345-T349 WeakPolarHBondContact O-CG2 3.28Å; S345-T349 PolarHBondContact O-N 3.33Å; S345-T349 PolarHBondContact O-OG1 3.2Å
346A85.9Confident83.9Confident56 Ų5689.7 Ų89.746%0.46352%0.523SS..Hα-helixtrans-67-39169.800000112.6P342 V343 Q344 T349 A350P342-A346 VanDerWaalsContact O-CB 3.28Å; P342-A346 WeakPolarHBondContact O-CB 3.42Å; P342-A346 PolarHBondContact O-N 3.09Å; V343-A346 PolarHBondContact O-N 2.9Å; Q344-A346 VanDerWaalsContact C-N 3.32Å; Q344-A346 PolarHBondContact O-N 3.13Å; A346-T349 WeakPolarHBondContact CA-OG1 3.28Å; A346-T349 PolarHBondContact O-OG1 3.33Å; A346-T349 VanDerWaalsContact O-OG1 3.13Å; A346-A350 VanDerWaalsContact O-CB 3.3Å; A346-A350 WeakPolarHBondContact O-CB 3.39Å; A346-A350 PolarHBondContact O-N 2.79Å
347V86.3Confident82.6Confident94 Ų9486.2 Ų86.257%0.5751%0.512SS*.Hα-helixtrans-69.4-41175.2168.60000111.4V343 Q344 A350 A351V343-V347 WeakPolarHBondContact O-CG2 3.35Å; V343-V347 PolarHBondContact O-N 2.8Å; Q344-V347 CarbonylContact O-C 3.58Å; Q344-V347 PolarHBondContact O-N 3.17Å; Q344-V347 VanDerWaalsContact O-N 3.09Å; V347-A350 PolarHBondContact O-N 3.39Å; V347-A351 VanDerWaalsContact O-CB 3.27Å; V347-A351 WeakPolarHBondContact O-CB 3.34Å; V347-A351 PolarHBondContact O-N 3.5Å
348E87.4Confident81.1Confident121 Ų12185.5 Ų85.557%0.56553%0.527SS*.Hα-helixtrans-67.4-43.3177.6-73.6174.4-176.600111.9Q344 A350 A351 N352Q344-E348 WeakPolarHBondContact O-CB 3.38Å; Q344-E348 WeakPolarHBondContact O-CG 3.48Å; Q344-E348 PolarHBondContact O-N 2.99Å; E348-A350 VanDerWaalsContact C-N 3.35Å; E348-A350 PolarHBondContact O-N 3.47Å; E348-A351 PolarHBondContact O-N 3.14Å; E348-N352 WeakPolarHBondContact O-CB 3.21Å; E348-N352 PolarHBondContact O-N 3.02Å; E348-N352 PolarHBondContact O-ND2 3.4Å
349T85.8Confident79.4Confident91 Ų9186.1 Ų86.156%0.55854%0.539SS*.Hα-helixtrans-64.4-38.9174.747.60000111.9S345 A346 Y353S345-T349 WeakPolarHBondContact O-CB 3.47Å; S345-T349 WeakPolarHBondContact O-CG2 3.28Å; S345-T349 PolarHBondContact O-N 3.33Å; S345-T349 PolarHBondContact O-OG1 3.2Å; A346-T349 WeakPolarHBondContact CA-OG1 3.28Å; A346-T349 PolarHBondContact O-OG1 3.33Å; A346-T349 VanDerWaalsContact O-OG1 3.13Å; T349-Y353 WeakPolarHBondContact O-CB 3.48Å; T349-Y353 PolarHBondContact O-N 2.98Å
350A82.3Confident77.4Confident46 Ų4688.5 Ų88.538%0.3855%0.554SS.*Hα-helixtrans-65.3-43171.400000112.6A346 V347 E348 N352 Y353 L354A346-A350 VanDerWaalsContact O-CB 3.3Å; A346-A350 WeakPolarHBondContact O-CB 3.39Å; A346-A350 PolarHBondContact O-N 2.79Å; V347-A350 PolarHBondContact O-N 3.39Å; E348-A350 VanDerWaalsContact C-N 3.35Å; E348-A350 PolarHBondContact O-N 3.47Å; A350-N352 VanDerWaalsContact C-N 3.33Å; A350-N352 PolarHBondContact O-N 3.48Å; A350-Y353 PolarHBondContact O-N 3.19Å; A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 VanDerWaalsContact O-CG 3.28Å; A350-L354 WeakPolarHBondContact O-CG 3.26Å; A350-L354 PolarHBondContact O-N 3.47Å
351A82.6Confident75.2Confident26 Ų2690.5 Ų90.522%0.21558%0.576CS.*Hα-helixtrans-65.5-35.217800000112.6V347 E348 L354 G355 I356 G357V347-A351 VanDerWaalsContact O-CB 3.27Å; V347-A351 WeakPolarHBondContact O-CB 3.34Å; V347-A351 PolarHBondContact O-N 3.5Å; E348-A351 PolarHBondContact O-N 3.14Å; A351-L354 PolarHBondContact O-N 3.37Å; A351-G355 PolarHBondContact O-N 2.98Å; A351-G355 VanDerWaalsContact O-N 3.09Å; A351-I356 PolarHBondContact O-N 3.35Å; A351-G357 PolarHBondContact O-N 3.44Å
352N85Confident73.1Confident112 Ų11292.3 Ų92.360%0.59959%0.589SS**Hα-helixtrans-69.4-41.4172.6-71.5-27.9000111.5E348 A350 L354 G355E348-N352 WeakPolarHBondContact O-CB 3.21Å; E348-N352 PolarHBondContact O-N 3.02Å; E348-N352 PolarHBondContact O-ND2 3.4Å; A350-N352 VanDerWaalsContact C-N 3.33Å; A350-N352 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.07Å; N352-G355 PolarHBondContact O-N 3.47Å
353Y76.4Confident70.8Confident217 Ų21793.9 Ų93.985%0.85161%0.609SS**Hα-helixtrans-66.1-29.8175.1-163.1-89.9000112.8T349 A350T349-Y353 WeakPolarHBondContact O-CB 3.48Å; T349-Y353 PolarHBondContact O-N 2.98Å; A350-Y353 PolarHBondContact O-N 3.19Å
354L81.2Confident68.7Low123 Ų12394.2 Ų94.264%0.64462%0.62SS**THydrogen-bonded Turntrans-87-4175.3-69.2167.4000113.9A350 A351 N352 I356A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 VanDerWaalsContact O-CG 3.28Å; A350-L354 WeakPolarHBondContact O-CG 3.26Å; A350-L354 PolarHBondContact O-N 3.47Å; A351-L354 PolarHBondContact O-N 3.37Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.07Å; L354-I356 HydrophobicContact CB-CD1 3.91Å; L354-I356 HydrophobicContact CB-CG1 4.07Å; L354-I356 HydrophobicContact CD1-CD1 4.37Å; L354-I356 PolarHBondContact O-N 3.42Å
355G71.7Confident66.9Low66 Ų6694 Ų9468%0.6864%0.636SS**THydrogen-bonded Turntrans6817.3-178.100000115.1A351 N352A351-G355 PolarHBondContact O-N 2.98Å; A351-G355 VanDerWaalsContact O-N 3.09Å; N352-G355 PolarHBondContact O-N 3.47Å
356I67.3Low64.9Low130 Ų13098.8 Ų98.867%0.66766%0.656SS**  trans-88.5-20.4-178.4-62.7172.8000111.3A351 L354 G358A351-I356 PolarHBondContact O-N 3.35Å; L354-I356 HydrophobicContact CB-CD1 3.91Å; L354-I356 HydrophobicContact CB-CG1 4.07Å; L354-I356 HydrophobicContact CD1-CD1 4.37Å; L354-I356 PolarHBondContact O-N 3.42Å; I356-G358 PolarHBondContact O-N 3.1Å; I356-G358 VanDerWaalsContact O-N 3.15Å
357G57.3Low63.1Low34 Ų3499.3 Ų99.335%0.35167%0.667SS.*SBendtrans-61112.7172.100000111.8A351 G359A351-G357 PolarHBondContact O-N 3.44Å; G357-G359 PolarHBondContact O-N 3.37Å
358G57.4Low61Low78 Ų78100 Ų10080%0.80468%0.676SS**  trans-60.4108-179.500000111.8I356 T360I356-G358 PolarHBondContact O-N 3.1Å; I356-G358 VanDerWaalsContact O-N 3.15Å; G358-T360 PolarHBondContact O-N 2.96Å
359G52.7Low59.8Low77 Ų7799.6 Ų99.679%0.79468%0.684SS**  trans-71.4109.6-162.800000115.7G357 A361G357-G359 PolarHBondContact O-N 3.37Å; G359-A361 PolarHBondContact O-N 3.17Å
360T47.2Very low58Low140 Ų140102.8 Ų102.886%0.85970%0.698SS**  trans-84.184.2149.941.10000109G358G358-T360 PolarHBondContact O-N 2.96Å
361A41.8Very low56.1Low89 Ų89112 Ų11274%0.73674%0.741SS**  trans-59.6129.1179.600000111.1G359 A363G359-A361 PolarHBondContact O-N 3.17Å; A361-A363 PolarHBondContact O-N 3.45Å
362P45.3Very low54.8Low122 Ų122116.4 Ų116.479%0.79277%0.767SS**  trans-64.9127.7170.327.6-32.7000108.6A364P362-A364 PolarHBondContact O-N 3.31Å
363A39.5Very low53.2Low104 Ų104116.6 Ų116.686%0.8678%0.776SS**  trans-61.5111.6-178.500000110A361 A365A361-A363 PolarHBondContact O-N 3.45Å; A363-A365 PolarHBondContact O-N 3.26Å
364A41.3Very low51.9Low90 Ų90111 Ų11174%0.74477%0.772SS**  trans-65.3121.8-178.600000109.7P362 I366P362-A364 PolarHBondContact O-N 3.31Å; A364-I366 PolarHBondContact O-N 2.73Å
365A46.1Very low50.2Low102 Ų102110.3 Ų110.384%0.84378%0.779SS**  trans-67.1108.2176.300000109.5A363 G367A363-A365 PolarHBondContact O-N 3.26Å; A365-G367 VanDerWaalsContact C-N 3.35Å; A365-G367 PolarHBondContact O-N 2.83Å
366I43.3Very low48.8Very low156 Ų156113.1 Ų113.180%0.879%0.785SS**  trans-73.291.9175.2-58.6177.1000108A364 S368A364-I366 PolarHBondContact O-N 2.73Å; I366-S368 PolarHBondContact O-N 2.9Å
367G46.3Very low47.6Very low68 Ų68111.9 Ų111.970%0.70179%0.793SS**  trans-74.8106163.900000109.4A365 P369A365-G367 VanDerWaalsContact C-N 3.35Å; A365-G367 PolarHBondContact O-N 2.83Å; G367-P369 WeakPolarHBondContact O-CD 3.43Å
368S43Very low46.9Very low107 Ų107117.5 Ų117.575%0.74883%0.825SS**  trans-68.1130.2174-57.80000111.1I366I366-S368 PolarHBondContact O-N 2.9Å
369P62.5Low46.1Very low113 Ų113120.5 Ų120.573%0.73483%0.826SS**  trans-84.8128.3156.233.1-28.2000109.8G367G367-P369 WeakPolarHBondContact O-CD 3.43Å
370D48.7Very low45.5Very low159 Ų159124.2 Ų124.285%0.8583%0.829SS**  trans179.1136.1142.7-96.9-21000111.4
371N41.4Very low45.4Very low240 Ų240122.7 Ų122.7100%1.28383%0.826SS**  trans44.90175.3-74.8-54.4000118.3

Retrieved 371 of 371 residues in 288.4 ms (Link to these results)