A0A3Q0KPL9_SCHMA Loading...

SET domain-containing protein

AlphaFold DB (A0A5K4ESV7), UniProt , Accession A0A3Q0KPL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 578 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
1M33.9Very low50.7Low204 Ų20497.8 Ų97.8100%1.00550%0.504SS*.  0-53.20-90.6-173.7165.300114Y4 K5M1-Y4 PolarHBondContact O-N 3.47Å; M1-K5 PolarHBondContact O-N 3.32Å
2V25.7Very low53.9Low112 Ų11292.1 Ų92.168%0.67948%0.475SS*.Hα-helixtrans-63.1-44.3-176.4-178.10000113L6V2-L6 HydrophobicContact CG1-CD1 4.01Å; V2-L6 WeakPolarHBondContact O-CD1 3.47Å; V2-L6 WeakPolarHBondContact O-CG 3.3Å; V2-L6 PolarHBondContact O-N 2.94Å; V2-L6 VanDerWaalsContact O-N 3.16Å
3N27.7Very low56.7Low116 Ų11695.1 Ų95.162%0.6248%0.482SS*.Hα-helixtrans-71.6-28.2179-72.4-6.4000114.7N7N3-N7 PolarHBondContact O-N 3.19Å
4Y36.1Very low59.2Low105 Ų10595.6 Ų95.641%0.41248%0.482SS..Hα-helixtrans-74.7-43.5177.5-177.3-97000111.3M1 L6 N7 E8M1-Y4 PolarHBondContact O-N 3.47Å; Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 3.23Å; Y4-N7 PolarHBondContact O-N 3.33Å; Y4-E8 HydrophobicContact CD1-CG 3.95Å; Y4-E8 HydrophobicContact CE1-CG 3.51Å; Y4-E8 WeakPolarHBondContact CE1-OE2 3.49Å; Y4-E8 HydrophobicContact CE2-CG 4.24Å; Y4-E8 WeakPolarHBondContact O-CB 2.99Å; Y4-E8 PolarHBondContact O-N 2.98Å; Y4-E8 PolarHBondContact OH-OE1 2.83Å
5K45.7Very low61.5Low131 Ų13189.3 Ų89.357%0.5745%0.45SS*.Hα-helixtrans-56.3-44.1170.1-101-177.1176.4175.70111.2M1 N7 D9M1-K5 PolarHBondContact O-N 3.32Å; K5-N7 PolarHBondContact O-N 3.26Å; K5-D9 WeakPolarHBondContact O-CB 3.43Å; K5-D9 PolarHBondContact O-N 3.38Å; K5-D9 VanDerWaalsContact O-OD2 3.1Å
6L43.1Very low63.3Low101 Ų10188.3 Ų88.353%0.52945%0.446SS..Hα-helixtrans-61.2-42177.1-77.6162.2000112.9V2 Y4 C10V2-L6 HydrophobicContact CG1-CD1 4.01Å; V2-L6 WeakPolarHBondContact O-CD1 3.47Å; V2-L6 WeakPolarHBondContact O-CG 3.3Å; V2-L6 PolarHBondContact O-N 2.94Å; V2-L6 VanDerWaalsContact O-N 3.16Å; Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 3.23Å; L6-C10 VanDerWaalsContact O-CB 3.23Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.08Å
7N55.1Low64.9Low97 Ų9788.4 Ų88.452%0.51945%0.448SS..Hα-helixtrans-74-40.8178.8-81.22.4000113N3 Y4 K5 C10 S11N3-N7 PolarHBondContact O-N 3.19Å; Y4-N7 PolarHBondContact O-N 3.33Å; K5-N7 PolarHBondContact O-N 3.26Å; N7-C10 PolarHBondContact O-N 3.45Å; N7-S11 PolarHBondContact O-N 2.99Å; N7-S11 PolarHBondContact O-OG 2.77Å
8E60.1Low66.3Low34 Ų3485.5 Ų85.516%0.15943%0.431CS..Hα-helixtrans-62.9-44172.5-77.7-160.6119.300111.6Y4 C10 S11 L12 N39 R46Y4-E8 HydrophobicContact CD1-CG 3.95Å; Y4-E8 HydrophobicContact CE1-CG 3.51Å; Y4-E8 WeakPolarHBondContact CE1-OE2 3.49Å; Y4-E8 HydrophobicContact CE2-CG 4.24Å; Y4-E8 WeakPolarHBondContact O-CB 2.99Å; Y4-E8 PolarHBondContact O-N 2.98Å; Y4-E8 PolarHBondContact OH-OE1 2.83Å; E8-C10 PolarHBondContact O-N 3.08Å; E8-S11 PolarHBondContact O-N 3.37Å; E8-S11 PolarHBondContact O-OG 3.41Å; E8-L12 WeakPolarHBondContact O-CB 3.37Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.41Å; E8-L12 PolarHBondContact O-N 3.11Å; E8-N39 PolarHBondContact OE1-ND2 3.24Å; E8-N39 PolarHBondContact OE2-ND2 2.97Å; E8-R46 IonicContact OE1-NH2 3.57Å; E8-R46 PolarHBondContact OE1-NH2 3.16Å
9D68.5Low67.5Low97 Ų9781.6 Ų81.652%0.51941%0.412SS..Hα-helixtrans-65-32.8176.9-70.1-26.8000110.3K5 K13K5-D9 WeakPolarHBondContact O-CB 3.43Å; K5-D9 PolarHBondContact O-N 3.38Å; K5-D9 VanDerWaalsContact O-OD2 3.1Å; D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 PolarHBondContact O-N 2.76Å
10C75.6Confident68.3Low59 Ų5981.5 Ų81.540%0.39942%0.416SS..Hα-helixtrans-70.5-47.3175.2-163.60000112.2L6 N7 E8 K13 E14L6-C10 VanDerWaalsContact O-CB 3.23Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 3.08Å; N7-C10 PolarHBondContact O-N 3.45Å; E8-C10 PolarHBondContact O-N 3.08Å; C10-K13 PolarHBondContact O-N 3.15Å; C10-E14 WeakPolarHBondContact O-CG 3.34Å; C10-E14 PolarHBondContact O-N 3.23Å
11S86.4Confident68.6Low20 Ų2080.4 Ų80.414%0.1442%0.419CS..Hα-helixtrans-66.4-39.9179.363.60000112N7 E8 K13 E14 F15N7-S11 PolarHBondContact O-N 2.99Å; N7-S11 PolarHBondContact O-OG 2.77Å; E8-S11 PolarHBondContact O-N 3.37Å; E8-S11 PolarHBondContact O-OG 3.41Å; S11-K13 VanDerWaalsContact C-N 3.31Å; S11-K13 PolarHBondContact O-N 3.13Å; S11-E14 PolarHBondContact O-N 3.48Å; S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.22Å; S11-F15 PolarHBondContact O-N 3.11Å
12L89.2Confident70Confident29 Ų2973 Ų7315%0.15239%0.387CS..Hα-helixtrans-63.8-37.4173.7-74.5173.9000112.1E8 D16 I37 V130E8-L12 WeakPolarHBondContact O-CB 3.37Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.41Å; E8-L12 PolarHBondContact O-N 3.11Å; L12-D16 WeakPolarHBondContact O-CB 3.4Å; L12-D16 PolarHBondContact O-N 2.62Å; L12-I37 HydrophobicContact CD2-CD1 4.03Å; L12-I37 HydrophobicContact CD2-CG2 3.91Å; L12-V130 HydrophobicContact CD2-CB 4.5Å; L12-V130 HydrophobicContact CD2-CG1 3.99Å
13K90.1Very high71Confident131 Ų13171.5 Ų71.557%0.5738%0.381SS*.Hα-helixtrans-67.7-47.3175.3-175.2-176.4175.2-168.30111.7D9 C10 S11 F15 D16 D17D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 PolarHBondContact O-N 2.76Å; C10-K13 PolarHBondContact O-N 3.15Å; S11-K13 VanDerWaalsContact C-N 3.31Å; S11-K13 PolarHBondContact O-N 3.13Å; K13-F15 PolarHBondContact O-N 3.48Å; K13-D16 PolarHBondContact O-N 3.12Å; K13-D16 VanDerWaalsContact O-N 3.14Å; K13-D17 WeakPolarHBondContact O-CB 3.48Å; K13-D17 VanDerWaalsContact O-CG 3.31Å; K13-D17 PolarHBondContact O-N 2.97Å
14E92.2Very high72.3Confident102 Ų10275.1 Ų75.148%0.47739%0.387SS..Hα-helixtrans-58.6-38.5175.9-74.9176.2-173.300111.6C10 S11 W18C10-E14 WeakPolarHBondContact O-CG 3.34Å; C10-E14 PolarHBondContact O-N 3.23Å; S11-E14 PolarHBondContact O-N 3.48Å; E14-W18 VanDerWaalsContact O-CB 3.24Å; E14-W18 WeakPolarHBondContact O-CB 3.42Å; E14-W18 PolarHBondContact O-N 3.35Å
15F93.3Very high73.3Confident1 Ų173.3 Ų73.30%0.00438%0.384CS..Hα-helixtrans-66.8-43.5174.1-180-120.7000112.7S11 K13 W18 L19 I37 Y127 V130 P274 F275 F278S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.22Å; S11-F15 PolarHBondContact O-N 3.11Å; K13-F15 PolarHBondContact O-N 3.48Å; F15-W18 AromaticContact CD2-CE3 3.84Å; F15-W18 HydrophobicContact CD2-CE3 3.84Å; F15-W18 HydrophobicContact CD2-CZ3 4.3Å; F15-W18 AromaticContact CE2-CE3 3.74Å; F15-W18 HydrophobicContact CE2-CE3 3.74Å; F15-W18 AromaticContact CE2-CZ3 3.75Å; F15-W18 HydrophobicContact CE2-CZ3 3.75Å; F15-W18 WeakPolarHBondContact O-CB 3.44Å; F15-W18 PolarHBondContact O-N 2.69Å; F15-L19 HydrophobicContact CD1-CD1 3.97Å; F15-L19 HydrophobicContact CD2-CG 4.37Å; F15-L19 HydrophobicContact CE1-CD1 3.58Å; F15-L19 HydrophobicContact CE1-CG 4.34Å; F15-L19 HydrophobicContact CE2-CD1 4.18Å; F15-L19 HydrophobicContact CE2-CD2 4.12Å; F15-L19 HydrophobicContact CE2-CG 4.05Å; F15-L19 HydrophobicContact CG-CD1 4.45Å; F15-L19 HydrophobicContact CZ-CD1 3.69Å; F15-L19 HydrophobicContact CZ-CD2 4.09Å; F15-L19 HydrophobicContact CZ-CG 4.05Å; F15-L19 VanDerWaalsContact O-CG 3.29Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.45Å; F15-I37 HydrophobicContact CD1-CD1 4.12Å; F15-I37 HydrophobicContact CE1-CD1 4.05Å; F15-Y127 AromaticContact CE2-CD2 3.85Å; F15-Y127 HydrophobicContact CE2-CD2 3.85Å; F15-Y127 HydrophobicContact CE2-CG 4.36Å; F15-Y127 HydrophobicContact CZ-CD2 4.18Å; F15-V130 HydrophobicContact CB-CG1 3.55Å; F15-V130 HydrophobicContact CB-CG2 4.28Å; F15-V130 HydrophobicContact CD1-CB 4.42Å; F15-V130 HydrophobicContact CD1-CG1 4.11Å; F15-V130 HydrophobicContact CD1-CG2 3.8Å; F15-V130 HydrophobicContact CD2-CG2 3.84Å; F15-V130 HydrophobicContact CE1-CG2 3.98Å; F15-V130 HydrophobicContact CE2-CG2 4.04Å; F15-V130 HydrophobicContact CG-CB 4.4Å; F15-V130 HydrophobicContact CG-CG1 3.88Å; F15-V130 HydrophobicContact CG-CG2 3.7Å; F15-V130 HydrophobicContact CZ-CG2 4.11Å; F15-P274 HydrophobicContact CE2-CB 4.08Å; F15-P274 HydrophobicContact CZ-CB 4.08Å; F15-F275 HydrophobicContact CE1-CB 4.47Å; F15-F275 HydrophobicContact CE1-CD2 4.37Å; F15-F275 HydrophobicContact CZ-CB 4.34Å; F15-F278 AromaticContact CE1-CE2 3.67Å; F15-F278 HydrophobicContact CE1-CE2 3.67Å; F15-F278 HydrophobicContact CE1-CZ 4.13Å; F15-F278 HydrophobicContact CZ-CE2 4.03Å
16D90.7Very high74.2Confident73 Ų7371.9 Ų71.939%0.3938%0.379SS..Hα-helixtrans-65.6-39.6176.7-169.552000112.3L12 K13 W18 L19 T20 R32L12-D16 WeakPolarHBondContact O-CB 3.4Å; L12-D16 PolarHBondContact O-N 2.62Å; K13-D16 PolarHBondContact O-N 3.12Å; K13-D16 VanDerWaalsContact O-N 3.14Å; D16-W18 VanDerWaalsContact C-N 3.35Å; D16-L19 PolarHBondContact O-N 3.41Å; D16-T20 WeakPolarHBondContact O-CB 3.33Å; D16-T20 PolarHBondContact O-N 3.15Å; D16-T20 VanDerWaalsContact O-N 3.07Å; D16-T20 PolarHBondContact O-OG1 3.13Å; D16-R32 IonicContact OD1-CZ 3.09Å; D16-R32 IonicContact OD1-NH1 3.8Å; D16-R32 PolarHBondContact OD1-NH1 2.75Å; D16-R32 IonicContact OD1-NH2 2.78Å; D16-R32 PolarHBondContact OD1-NH2 3.32Å
17D90Very high75.4Confident90 Ų9073.6 Ų73.648%0.48139%0.393SS..Hα-helixtrans-62.2-43.4172.8-72.4-23000110.1K13 T20 A21K13-D17 WeakPolarHBondContact O-CB 3.48Å; K13-D17 VanDerWaalsContact O-CG 3.31Å; K13-D17 PolarHBondContact O-N 2.97Å; D17-T20 CarbonylContact O-C 3.58Å; D17-T20 PolarHBondContact O-N 3.16Å; D17-T20 VanDerWaalsContact O-N 3.16Å; D17-A21 WeakPolarHBondContact O-CB 3.18Å; D17-A21 PolarHBondContact O-N 3.47Å
18W90.4Very high76.6Confident37 Ų3770.6 Ų70.614%0.1438%0.379CS..Hα-helixtrans-62.3-44175.9177.680.3000112.8E14 F15 D16 T20 A21 H69 L70 I123 W124 P126 P274E14-W18 VanDerWaalsContact O-CB 3.24Å; E14-W18 WeakPolarHBondContact O-CB 3.42Å; E14-W18 PolarHBondContact O-N 3.35Å; F15-W18 AromaticContact CD2-CE3 3.84Å; F15-W18 HydrophobicContact CD2-CE3 3.84Å; F15-W18 HydrophobicContact CD2-CZ3 4.3Å; F15-W18 AromaticContact CE2-CE3 3.74Å; F15-W18 HydrophobicContact CE2-CE3 3.74Å; F15-W18 AromaticContact CE2-CZ3 3.75Å; F15-W18 HydrophobicContact CE2-CZ3 3.75Å; F15-W18 WeakPolarHBondContact O-CB 3.44Å; F15-W18 PolarHBondContact O-N 2.69Å; D16-W18 VanDerWaalsContact C-N 3.35Å; W18-T20 PolarHBondContact O-N 3.5Å; W18-A21 PolarHBondContact O-N 2.74Å; W18-H69 HydrophobicContact CH2-CB 4.11Å; W18-H69 HydrophobicContact CZ2-CB 3.76Å; W18-L70 HydrophobicContact CH2-CD2 4.43Å; W18-L70 HydrophobicContact CZ3-CD2 4.2Å; W18-I123 PolarHBondContact NE1-O 3.09Å; W18-W124 AromaticContact CH2-CD1 3.89Å; W18-W124 AromaticContact CZ2-CD1 3.82Å; W18-W124 HydrophobicContact CZ2-CG 4.42Å; W18-P126 HydrophobicContact CB-CB 3.66Å; W18-P126 HydrophobicContact CB-CG 3.82Å; W18-P126 HydrophobicContact CD2-CB 4.31Å; W18-P126 HydrophobicContact CG-CB 3.82Å; W18-P126 HydrophobicContact CG-CG 3.78Å; W18-P274 HydrophobicContact CH2-CB 4.19Å; W18-P274 HydrophobicContact CH2-CG 3.98Å; W18-P274 HydrophobicContact CZ3-CB 3.79Å; W18-P274 HydrophobicContact CZ3-CG 4.11Å
19L89Confident77.8Confident11 Ų1177.4 Ų77.46%0.05840%0.404CS..Hα-helixtrans-64-25.8174.9-70171.9000112.9F15 D16 R32 L70 P274 F275F15-L19 HydrophobicContact CD1-CD1 3.97Å; F15-L19 HydrophobicContact CD2-CG 4.37Å; F15-L19 HydrophobicContact CE1-CD1 3.58Å; F15-L19 HydrophobicContact CE1-CG 4.34Å; F15-L19 HydrophobicContact CE2-CD1 4.18Å; F15-L19 HydrophobicContact CE2-CD2 4.12Å; F15-L19 HydrophobicContact CE2-CG 4.05Å; F15-L19 HydrophobicContact CG-CD1 4.45Å; F15-L19 HydrophobicContact CZ-CD1 3.69Å; F15-L19 HydrophobicContact CZ-CD2 4.09Å; F15-L19 HydrophobicContact CZ-CG 4.05Å; F15-L19 VanDerWaalsContact O-CG 3.29Å; F15-L19 WeakPolarHBondContact O-CG 3.41Å; F15-L19 PolarHBondContact O-N 3.45Å; D16-L19 PolarHBondContact O-N 3.41Å; L19-R32 VanDerWaalsContact CB-CZ 3.46Å; L19-L70 HydrophobicContact CD2-CD2 3.54Å; L19-P274 HydrophobicContact CD2-CB 4.37Å; L19-F275 HydrophobicContact CD1-CB 3.88Å; L19-F275 HydrophobicContact CD1-CD2 3.61Å; L19-F275 HydrophobicContact CD1-CG 4.09Å; L19-F275 HydrophobicContact CD2-CB 4.35Å
20T82.7Confident78.9Confident80 Ų8073 Ų7349%0.49138%0.381SS..Hα-helixtrans-96.7-21.9-177.8-49.20000112.6D16 D17 W18 S22 R32D16-T20 WeakPolarHBondContact O-CB 3.33Å; D16-T20 PolarHBondContact O-N 3.15Å; D16-T20 VanDerWaalsContact O-N 3.07Å; D16-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 CarbonylContact O-C 3.58Å; D17-T20 PolarHBondContact O-N 3.16Å; D17-T20 VanDerWaalsContact O-N 3.16Å; W18-T20 PolarHBondContact O-N 3.5Å; T20-S22 CarbonylContact O-C 3.58Å; T20-S22 PolarHBondContact O-N 3.15Å; T20-S22 VanDerWaalsContact O-N 3.15Å; T20-R32 PolarHBondContact OG1-NH2 3.28Å
21A75.9Confident79.6Confident58 Ų5870.7 Ų70.748%0.47937%0.367SS..Hα-helixtrans-58.8-27.2178.800000111.9D17 W18 S23D17-A21 WeakPolarHBondContact O-CB 3.18Å; D17-A21 PolarHBondContact O-N 3.47Å; W18-A21 PolarHBondContact O-N 2.74Å; A21-S23 PolarHBondContact O-N 3.13Å; A21-S23 PolarHBondContact O-OG 3.07Å
22S62Low79.8Confident48 Ų4872.3 Ų72.334%0.33637%0.37SS..  trans-6577.1164.7-169.20000110.9T20 D67T20-S22 CarbonylContact O-C 3.58Å; T20-S22 PolarHBondContact O-N 3.15Å; T20-S22 VanDerWaalsContact O-N 3.15Å; S22-D67 WeakPolarHBondContact CB-OD2 3.48Å; S22-D67 PolarHBondContact OG-OD2 3.18Å
23S47.5Very low80Confident81 Ų8174.5 Ų74.557%0.56639%0.388SS*.  trans-100.56.6-168.946.80000113.1A21A21-S23 PolarHBondContact O-N 3.13Å; A21-S23 PolarHBondContact O-OG 3.07Å
24R55.4Low80.3Confident193 Ų19368.9 Ų68.973%0.72836%0.364SS*.SBendtrans-1426.2-155.3-56.2-170.6-170.8-161.31.6118.2
25L56.9Low80.5Confident67 Ų6764.5 Ų64.535%0.35134%0.344SS..SBendtrans-133.7172.1171.9-72.3162.1000108.7T27 D66 L240L25-T27 PolarHBondContact O-N 3.01Å; L25-D66 WeakPolarHBondContact CB-OD2 3.42Å; L25-L240 HydrophobicContact CD1-CB 4.31Å; L25-L240 HydrophobicContact CD1-CD1 3.83Å; L25-L240 HydrophobicContact CD1-CG 4.47Å
26H64Low80.5Confident101 Ų10170.9 Ų70.947%0.46837%0.372SS..  trans-33.6121.3-154-126.8-80.4000116.3T28 D66 L296H26-T28 PolarHBondContact O-N 3.06Å; H26-T28 VanDerWaalsContact O-N 3.13Å; H26-D66 PolarHBondContact N-OD2 3.28Å; H26-D66 VanDerWaalsContact N-OD2 3.08Å; H26-L296 VanDerWaalsContact CD2-CD1 3.43Å; H26-L296 WeakPolarHBondContact CD2-CD1 3.3Å; H26-L296 WeakPolarHBondContact NE2-CD1 3.46Å
27T69.3Low80.6Confident136 Ų13668.9 Ų68.983%0.83436%0.361SS*.  trans-70.2112.8173.553.30000109.6L25L25-T27 PolarHBondContact O-N 3.01Å
28T79.5Confident80.7Confident35 Ų3565.5 Ų65.522%0.21534%0.344CS..  trans-87.9139.1173.560.70000110.4H26 G31 S62 P64H26-T28 PolarHBondContact O-N 3.06Å; H26-T28 VanDerWaalsContact O-N 3.13Å; T28-G31 PolarHBondContact O-N 3.41Å; T28-S62 WeakPolarHBondContact CB-OG 3.37Å; T28-S62 PolarHBondContact OG1-O 2.9Å; T28-S62 VanDerWaalsContact OG1-O 3.05Å; T28-P64 HydrophobicContact CG2-CB 3.89Å; T28-P64 HydrophobicContact CG2-CG 4.39Å
29Y84.9Confident80.6Confident177 Ų17766.6 Ų66.669%0.69435%0.352SS*.SBendtrans-118.9130.7168.2-179.8-93.1000108.4
30P91.2Very high80.4Confident5 Ų574.8 Ų74.83%0.03239%0.388CS..SBendcis-80.1-4.66.733.4-38000115.5R32 S33 L34 C59P30-R32 PolarHBondContact O-N 3.24Å; P30-S33 WeakPolarHBondContact O-CB 3.25Å; P30-S33 PolarHBondContact O-N 3.36Å; P30-S33 PolarHBondContact O-OG 3.1Å; P30-L34 HydrophobicContact CB-CD1 3.57Å; P30-L34 HydrophobicContact CB-CG 3.65Å; P30-L34 HydrophobicContact CG-CD1 3.87Å; P30-L34 HydrophobicContact CG-CG 4.34Å; P30-C59 WeakPolarHBondContact CD-SG 3.45Å; P30-C59 WeakPolarHBondContact CG-O 3.45Å
31G90.4Very high80.5Confident10 Ų1072.7 Ų72.710%0.10337%0.373CS..THydrogen-bonded Turntrans61.9-121.6-169.900000109.8T28 Y61 S62T28-G31 PolarHBondContact O-N 3.41Å; G31-Y61 WeakPolarHBondContact O-CA 3.31Å; G31-Y61 WeakPolarHBondContact O-CD2 3.36Å; G31-S62 VanDerWaalsContact CA-O 3.28Å; G31-S62 WeakPolarHBondContact CA-O 3.42Å; G31-S62 PolarHBondContact O-N 3.18Å
32R91.6Very high80.6Confident53 Ų5378.4 Ų78.420%0.239%0.387CS..THydrogen-bonded Turntrans-106.4-3173.1-60.9-179.4-56.6111.3-1.5113.7D16 L19 T20 P30 L34 L35 Y61 F275D16-R32 IonicContact OD1-CZ 3.09Å; D16-R32 IonicContact OD1-NH1 3.8Å; D16-R32 PolarHBondContact OD1-NH1 2.75Å; D16-R32 IonicContact OD1-NH2 2.78Å; D16-R32 PolarHBondContact OD1-NH2 3.32Å; L19-R32 VanDerWaalsContact CB-CZ 3.46Å; T20-R32 PolarHBondContact OG1-NH2 3.28Å; P30-R32 PolarHBondContact O-N 3.24Å; R32-L34 PolarHBondContact O-N 3.13Å; R32-L35 PolarHBondContact O-N 3.41Å; R32-L35 VanDerWaalsContact O-O 3.08Å; R32-Y61 HydrophobicContact CG-CD2 4.16Å; R32-Y61 HydrophobicContact CG-CE2 3.76Å; R32-F275 HydrophobicContact CB-CD1 4.48Å; R32-F275 HydrophobicContact CB-CE1 3.89Å; R32-F275 HydrophobicContact CB-CE2 4.45Å; R32-F275 HydrophobicContact CB-CZ 3.86Å; R32-F275 HydrophobicContact CG-CD1 3.77Å; R32-F275 HydrophobicContact CG-CE1 3.66Å; R32-F275 HydrophobicContact CG-CE2 4.42Å; R32-F275 HydrophobicContact CG-CG 4.19Å; R32-F275 HydrophobicContact CG-CZ 4.01Å
33S92.5Very high81.2Confident75 Ų7581.4 Ų81.452%0.52439%0.394SS..THydrogen-bonded Turntrans-62.8-22.1-163.761.60000115.2P30 L35P30-S33 WeakPolarHBondContact O-CB 3.25Å; P30-S33 PolarHBondContact O-N 3.36Å; P30-S33 PolarHBondContact O-OG 3.1Å; S33-L35 VanDerWaalsContact C-N 3.32Å
34L96.1Very high82.3Confident13 Ų1379.6 Ų79.67%0.06839%0.389CS..THydrogen-bonded Turntrans-86-4.4178.3-55.9179.9000113.2P30 R32 A50 C51 C52 I54P30-L34 HydrophobicContact CB-CD1 3.57Å; P30-L34 HydrophobicContact CB-CG 3.65Å; P30-L34 HydrophobicContact CG-CD1 3.87Å; P30-L34 HydrophobicContact CG-CG 4.34Å; R32-L34 PolarHBondContact O-N 3.13Å; L34-A50 WeakPolarHBondContact O-CA 3.34Å; L34-C51 PolarHBondContact O-N 3.27Å; L34-C52 VanDerWaalsContact CD2-SG 3.59Å; L34-I54 HydrophobicContact CB-CD1 4.24Å; L34-I54 HydrophobicContact CB-CG1 4.44Å
35L96.1Very high83.4Confident11 Ų1178.6 Ų78.66%0.05839%0.392CS..EExtended strand (participates in β ladder)trans-129.8148.8-167.1-59.9167.8000111.2R32 S33 L48 I49 C51 I54 C60 Y61 F275 F279 V312R32-L35 PolarHBondContact O-N 3.41Å; R32-L35 VanDerWaalsContact O-O 3.08Å; S33-L35 VanDerWaalsContact C-N 3.32Å; L35-L48 HydrophobicContact CD1-CD1 4.36Å; L35-I49 WeakPolarHBondContact CA-O 3.41Å; L35-C51 VanDerWaalsContact C-SG 3.56Å; L35-I54 HydrophobicContact CD2-CD1 4.09Å; L35-C60 WeakPolarHBondContact CD1-O 3.31Å; L35-Y61 HydrophobicContact CD1-CD2 4.31Å; L35-Y61 HydrophobicContact CD1-CG 4.46Å; L35-F275 HydrophobicContact CB-CE1 4.14Å; L35-F275 HydrophobicContact CB-CZ 4.05Å; L35-F275 HydrophobicContact CD1-CE1 4.21Å; L35-F279 HydrophobicContact CD1-CE1 4.06Å; L35-F279 HydrophobicContact CD1-CE2 4.46Å; L35-F279 HydrophobicContact CD1-CZ 3.48Å; L35-F279 VanDerWaalsContact CD1-CZ 3.48Å; L35-F279 HydrophobicContact CD2-CE1 4.29Å; L35-V312 HydrophobicContact CD2-CB 4.13Å; L35-V312 HydrophobicContact CD2-CG1 4.43Å; L35-V312 HydrophobicContact CD2-CG2 3.6Å
36K94.1Very high85Confident135 Ų13577.6 Ų77.659%0.58738%0.384SS*.EExtended strand (participates in β ladder)trans-140.4139.2174.9179.9176.8178.8178.10111L48 I49K36-L48 WeakPolarHBondContact O-CA 3.27Å; K36-I49 HydrophobicContact CB-CG1 4.19Å; K36-I49 PolarHBondContact N-O 3.45Å; K36-I49 WeakPolarHBondContact O-CG1 3.43Å; K36-I49 PolarHBondContact O-N 3.43Å
37I93.9Very high86.4Confident31 Ų3172.8 Ų72.816%0.15936%0.361CS..EExtended strand (participates in β ladder)trans-68.6133.9172.4-59.6171.7000109.9L12 F15 R46 G47 L48 F275 F278L12-I37 HydrophobicContact CD2-CD1 4.03Å; L12-I37 HydrophobicContact CD2-CG2 3.91Å; F15-I37 HydrophobicContact CD1-CD1 4.12Å; F15-I37 HydrophobicContact CE1-CD1 4.05Å; I37-R46 HydrophobicContact CG2-CG 3.6Å; I37-G47 CarbonylContact C-O 3.54Å; I37-G47 WeakPolarHBondContact CA-O 3.49Å; I37-L48 HydrophobicContact CG1-CD2 3.72Å; I37-F275 HydrophobicContact CD1-CD2 4.08Å; I37-F275 HydrophobicContact CD1-CE2 4.1Å; I37-F275 HydrophobicContact CG1-CD2 4.33Å; I37-F275 HydrophobicContact CG1-CE2 3.95Å; I37-F278 HydrophobicContact CD1-CD1 4.45Å; I37-F278 HydrophobicContact CD1-CD2 4.43Å; I37-F278 HydrophobicContact CD1-CE1 4.37Å; I37-F278 HydrophobicContact CD1-CE2 4.32Å; I37-F278 HydrophobicContact CD1-CG 4.47Å; I37-F278 HydrophobicContact CD1-CZ 4.27Å; I37-F278 HydrophobicContact CG1-CG 4.48Å; I37-F278 HydrophobicContact CG2-CD1 4.26Å; I37-F278 HydrophobicContact CG2-CE1 4.45Å
38S91.5Very high87.7Confident18 Ų1866.3 Ų66.313%0.12632%0.322CS..EExtended strand (participates in β ladder)trans-137.1138.7177.8-176.50000111K40 L41 R46 G47S38-K40 PolarHBondContact OG-N 3.32Å; S38-K40 VanDerWaalsContact OG-N 3.08Å; S38-L41 WeakPolarHBondContact O-CD1 3.49Å; S38-R46 WeakPolarHBondContact O-CA 3.31Å; S38-G47 PolarHBondContact N-O 3.31Å; S38-G47 PolarHBondContact O-N 3.18Å
39N87.8Confident88.5Confident60 Ų6066.3 Ų66.332%0.32132%0.32SS..SBendtrans-97.6-1167.5-58.9-9.9000111.6E8 L41 R46E8-N39 PolarHBondContact OE1-ND2 3.24Å; E8-N39 PolarHBondContact OE2-ND2 2.97Å; N39-L41 PolarHBondContact O-N 2.89Å; N39-R46 WeakPolarHBondContact OD1-CD 3.3Å; N39-R46 WeakPolarHBondContact OD1-CG 3.47Å; N39-R46 PolarHBondContact OD1-NE 3.5Å
40K85.1Confident89Confident184 Ų18458 Ų5880%0.829%0.288SS*.  trans-101.870.2-177.8-66-176.4-176.8177.70109.6S38S38-K40 PolarHBondContact OG-N 3.32Å; S38-K40 VanDerWaalsContact OG-N 3.08Å
41L85.4Confident89.3Confident36 Ų3661 Ų6119%0.18831%0.309CS..  trans-118.9156.2-174-60.5172.9000110.8S38 N39 F43 I49 Q311S38-L41 WeakPolarHBondContact O-CD1 3.49Å; N39-L41 PolarHBondContact O-N 2.89Å; L41-F43 WeakPolarHBondContact CB-O 3.39Å; L41-I49 HydrophobicContact CD2-CG2 3.64Å; L41-Q311 HydrophobicContact CD2-CB 4.13Å; L41-Q311 HydrophobicContact CD2-CG 4.11Å
42K77.1Confident89.6Confident177 Ų17763.1 Ų63.177%0.7732%0.321SS*.SBendtrans-74.6-33.3172.5-171.7179.2174.1-169.50111.5
43F73.8Confident89.8Confident112 Ų11266.3 Ų66.349%0.49134%0.338SS..SBendtrans-139.7142.3-176.7-55.4-72.4000109.1L41 Q311L41-F43 WeakPolarHBondContact CB-O 3.39Å; F43-Q311 PolarHBondContact O-NE2 2.96Å; F43-Q311 PolarHBondContact O-OE1 3.34Å
44G70.6Confident90Very high43 Ų4362.7 Ų62.744%0.44331%0.313SS..SBendtrans75.9137.2-172.100000112R46G44-R46 VanDerWaalsContact C-N 3.3Å; G44-R46 PolarHBondContact O-N 3.45Å
45Q79.3Confident90Very high171 Ų17168.2 Ų68.280%0.79934%0.336SS*.SBendtrans-62.3-40.6180-66.2179.9-6.500111.6
46R90.1Very high89.9Confident46 Ų4670.2 Ų70.217%0.17435%0.351CS..SBendtrans-140.8150.3177.9-174.9179.7-71.51696.9109E8 I37 S38 N39 G44 V130 F278 N280E8-R46 IonicContact OE1-NH2 3.57Å; E8-R46 PolarHBondContact OE1-NH2 3.16Å; I37-R46 HydrophobicContact CG2-CG 3.6Å; S38-R46 WeakPolarHBondContact O-CA 3.31Å; N39-R46 WeakPolarHBondContact OD1-CD 3.3Å; N39-R46 WeakPolarHBondContact OD1-CG 3.47Å; N39-R46 PolarHBondContact OD1-NE 3.5Å; G44-R46 VanDerWaalsContact C-N 3.3Å; G44-R46 PolarHBondContact O-N 3.45Å; R46-V130 PolarHBondContact NH1-O 3.44Å; R46-F278 HydrophobicContact CG-CD1 3.82Å; R46-F278 HydrophobicContact CG-CE1 4.01Å; R46-N280 PolarHBondContact O-ND2 3.43Å; R46-N280 PolarHBondContact O-OD1 2.9Å
47G94.3Very high89.9Confident0 Ų070.8 Ų70.80%035%0.354CS..EExtended strand (participates in β ladder)trans-176.1-167.3177.400000113.6I37 S38 F278I37-G47 CarbonylContact C-O 3.54Å; I37-G47 WeakPolarHBondContact CA-O 3.49Å; S38-G47 PolarHBondContact N-O 3.31Å; S38-G47 PolarHBondContact O-N 3.18Å; G47-F278 CarbonylContact C-O 3.59Å; G47-F278 WeakPolarHBondContact CA-O 3.28Å
48L95.8Very high89.9Confident0 Ų071.9 Ų71.90%036%0.358CS..EExtended strand (participates in β ladder)trans-105.3134.3-174.2-63.7174.8000112.3L35 K36 I37 F275 F278 F279 Q311 V312L35-L48 HydrophobicContact CD1-CD1 4.36Å; K36-L48 WeakPolarHBondContact O-CA 3.27Å; I37-L48 HydrophobicContact CG1-CD2 3.72Å; L48-F275 HydrophobicContact CD1-CD1 4.36Å; L48-F275 HydrophobicContact CD1-CE1 4.02Å; L48-F275 HydrophobicContact CD2-CE1 4.02Å; L48-F275 HydrophobicContact CD2-CE2 4.06Å; L48-F275 HydrophobicContact CD2-CZ 3.7Å; L48-F278 HydrophobicContact CD1-CB 4.17Å; L48-F278 HydrophobicContact CD2-CB 4.02Å; L48-F278 HydrophobicContact CG-CB 3.75Å; L48-F278 PolarHBondContact N-O 2.81Å; L48-F279 HydrophobicContact CB-CD1 4.2Å; L48-F279 HydrophobicContact CB-CE1 4.17Å; L48-F279 HydrophobicContact CD1-CD1 3.68Å; L48-F279 HydrophobicContact CD1-CD2 3.83Å; L48-F279 HydrophobicContact CD1-CE1 3.53Å; L48-F279 HydrophobicContact CD1-CE2 3.68Å; L48-F279 HydrophobicContact CD1-CG 3.82Å; L48-F279 HydrophobicContact CD1-CZ 3.54Å; L48-F279 HydrophobicContact CG-CD1 4.44Å; L48-F279 HydrophobicContact CG-CE1 4.47Å; L48-Q311 CarbonylContact O-C 3.55Å; L48-Q311 WeakPolarHBondContact O-CA 3.35Å; L48-Q311 WeakPolarHBondContact O-CG 3.43Å; L48-V312 PolarHBondContact O-N 3.44Å
49I96.3Very high90.1Very high35 Ų3571.9 Ų71.918%0.17936%0.358CS..EExtended strand (participates in β ladder)trans-114.5151.817163.4171.5000110.8L35 K36 L41 E310L35-I49 WeakPolarHBondContact CA-O 3.41Å; K36-I49 HydrophobicContact CB-CG1 4.19Å; K36-I49 PolarHBondContact N-O 3.45Å; K36-I49 WeakPolarHBondContact O-CG1 3.43Å; K36-I49 PolarHBondContact O-N 3.43Å; L41-I49 HydrophobicContact CD2-CG2 3.64Å; I49-E310 CarbonylContact C-O 3.48Å; I49-E310 VanDerWaalsContact CA-O 3.26Å; I49-E310 WeakPolarHBondContact CA-O 3.13Å
50A97.1Very high90.5Very high2 Ų269 Ų692%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-75.4127.9177.100000111.1L34 C52 I54 V306 G309 E310 V312L34-A50 WeakPolarHBondContact O-CA 3.34Å; A50-C52 VanDerWaalsContact C-N 3.33Å; A50-C52 WeakPolarHBondContact CB-O 3.02Å; A50-I54 HydrophobicContact CB-CD1 3.8Å; A50-I54 HydrophobicContact CB-CG1 4.19Å; A50-V306 HydrophobicContact CB-CG1 3.96Å; A50-G309 PolarHBondContact O-N 2.83Å; A50-E310 PolarHBondContact N-O 3.03Å; A50-V312 HydrophobicContact CB-CG2 3.94Å
51C96.4Very high91Very high70 Ų7060.5 Ų60.547%0.47331%0.305SS..SBendtrans-74.3-26175.9-68.80000112.6L34 L35L34-C51 PolarHBondContact O-N 3.27Å; L35-C51 VanDerWaalsContact C-SG 3.56Å
52C96.2Very high91.5Very high54 Ų5458.9 Ų58.937%0.36530%0.297SS..SBendtrans-145.8178.6177.662.60000109.2L34 A50 I54L34-C52 VanDerWaalsContact CD2-SG 3.59Å; A50-C52 VanDerWaalsContact C-N 3.33Å; A50-C52 WeakPolarHBondContact CB-O 3.02Å; C52-I54 PolarHBondContact O-N 3.4Å
53E97Very high92.3Very high119 Ų11950.6 Ų50.656%0.55626%0.261SS*.  trans-60.1129.9170-172.9-174.7-176.600110.1V306E53-V306 WeakPolarHBondContact CA-O 3.09Å
54I96.5Very high93.2Very high0 Ų046 Ų460%024%0.243CC..BIsolated β-bridgetrans-110.4120.9171.3-56.8173.3000106.4L34 L35 A50 C52 Q58 C60 L302 S305 V306 V312L34-I54 HydrophobicContact CB-CD1 4.24Å; L34-I54 HydrophobicContact CB-CG1 4.44Å; L35-I54 HydrophobicContact CD2-CD1 4.09Å; A50-I54 HydrophobicContact CB-CD1 3.8Å; A50-I54 HydrophobicContact CB-CG1 4.19Å; C52-I54 PolarHBondContact O-N 3.4Å; I54-Q58 HydrophobicContact CG2-CB 4.25Å; I54-C60 HydrophobicContact CD1-CB 4.07Å; I54-C60 HydrophobicContact CG2-CB 3.9Å; I54-L302 HydrophobicContact CG2-CD1 4.02Å; I54-S305 CarbonylContact O-C 3.38Å; I54-S305 WeakPolarHBondContact O-CA 3.33Å; I54-V306 HydrophobicContact CB-CB 4.41Å; I54-V306 PolarHBondContact N-O 3.46Å; I54-V306 PolarHBondContact O-N 3.39Å; I54-V312 HydrophobicContact CD1-CG2 4.13Å
55K95.5Very high94.2Very high129 Ų12944.9 Ų44.956%0.56123%0.227SC*.  trans-79.7152.4-177.2-62.7-179.2-179.4179.70111K57 Q58K55-K57 PolarHBondContact O-N 2.93Å; K55-Q58 HydrophobicContact CB-CB 4.3Å; K55-Q58 WeakPolarHBondContact O-CB 3.03Å; K55-Q58 PolarHBondContact O-N 3.44Å
56S94.8Very high94.7Very high53 Ų5338.2 Ų38.237%0.37120%0.196SC..THydrogen-bonded Turntrans-50.2136.8166.3173.40000110.9Q58 E303 S305S56-Q58 PolarHBondContact O-N 3.33Å; S56-E303 WeakPolarHBondContact CB-O 3.38Å; S56-E303 PolarHBondContact OG-O 3.48Å; S56-S305 PolarHBondContact N-OG 2.88Å; S56-S305 VanDerWaalsContact N-OG 3.07Å
57K93.8Very high94.6Very high146 Ų14636.6 Ų36.664%0.63519%0.192SC*.THydrogen-bonded Turntrans62.814.4-176.2-58.3177.7179.5-177.50115K55 L302 E303K55-K57 PolarHBondContact O-N 2.93Å; K57-L302 WeakPolarHBondContact CA-O 3.42Å; K57-L302 PolarHBondContact N-O 3.04Å; K57-E303 WeakPolarHBondContact CE-OE2 3.4Å; K57-E303 WeakPolarHBondContact CG-OE2 3.46Å
58Q93.7Very high94.3Very high54 Ų5436.8 Ų36.825%0.25219%0.192SC..  trans-84.1138.5171.3-169.3-178.7-20.600110.1I54 K55 S56 C60I54-Q58 HydrophobicContact CG2-CB 4.25Å; K55-Q58 HydrophobicContact CB-CB 4.3Å; K55-Q58 WeakPolarHBondContact O-CB 3.03Å; K55-Q58 PolarHBondContact O-N 3.44Å; S56-Q58 PolarHBondContact O-N 3.33Å; Q58-C60 PolarHBondContact O-N 3.29Å
59C95.3Very high94Very high18 Ų1837.4 Ų37.412%0.12220%0.195CC..EExtended strand (participates in β ladder)trans-63119165.7-1770000108.5P30 Y61 L300 Y301P30-C59 WeakPolarHBondContact CD-SG 3.45Å; P30-C59 WeakPolarHBondContact CG-O 3.45Å; C59-Y61 PolarHBondContact SG-O 3.49Å; C59-L300 CarbonylContact C-O 3.54Å; C59-L300 WeakPolarHBondContact CA-O 3.32Å; C59-Y301 HydrophobicContact CB-CD1 4.03Å; C59-Y301 HydrophobicContact CB-CE1 3.57Å; C59-Y301 HydrophobicContact CB-CE2 4.39Å
60C96Very high93.8Very high0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-99.9-25.4-177.769.70000112.9L35 I54 Q58 L300 L302L35-C60 WeakPolarHBondContact CD1-O 3.31Å; I54-C60 HydrophobicContact CD1-CB 4.07Å; I54-C60 HydrophobicContact CG2-CB 3.9Å; Q58-C60 PolarHBondContact O-N 3.29Å; C60-L300 PolarHBondContact N-O 3.13Å; C60-L300 VanDerWaalsContact SG-CD2 3.59Å; C60-L300 PolarHBondContact SG-O 2.86Å; C60-L302 HydrophobicContact CB-CD1 4.03Å; C60-L302 HydrophobicContact CB-CG 4.09Å
61Y96.4Very high93.7Very high5 Ų536.3 Ų36.32%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-145.6140179.5171.8-105.5000109.9G31 R32 L35 C59 V63 I273 F275 F276 F279 E299 L300G31-Y61 WeakPolarHBondContact O-CA 3.31Å; G31-Y61 WeakPolarHBondContact O-CD2 3.36Å; R32-Y61 HydrophobicContact CG-CD2 4.16Å; R32-Y61 HydrophobicContact CG-CE2 3.76Å; L35-Y61 HydrophobicContact CD1-CD2 4.31Å; L35-Y61 HydrophobicContact CD1-CG 4.46Å; C59-Y61 PolarHBondContact SG-O 3.49Å; Y61-V63 HydrophobicContact CE1-CB 3.83Å; Y61-V63 HydrophobicContact CE1-CG1 3.95Å; Y61-V63 WeakPolarHBondContact OH-CB 3.37Å; Y61-I273 HydrophobicContact CE1-CG2 4.44Å; Y61-F275 HydrophobicContact CD2-CD1 4.01Å; Y61-F275 HydrophobicContact CD2-CE1 4.1Å; Y61-F275 AromaticContact CE2-CD1 3.53Å; Y61-F275 HydrophobicContact CE2-CD1 3.53Å; Y61-F275 HydrophobicContact CE2-CE1 4.06Å; Y61-F276 AromaticContact CD1-CD2 3.77Å; Y61-F276 HydrophobicContact CD1-CD2 3.77Å; Y61-F276 HydrophobicContact CE1-CB 3.94Å; Y61-F276 AromaticContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CG 4.29Å; Y61-F279 HydrophobicContact CG-CE2 4.4Å; Y61-E299 WeakPolarHBondContact O-CA 3.33Å; Y61-L300 HydrophobicContact CD1-CB 4.46Å; Y61-L300 PolarHBondContact O-N 2.89Å
62S95.1Very high93.7Very high2 Ų233 Ų331%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-140.3121175.1-173.10000110.5T28 G31 S297 L298 E299T28-S62 WeakPolarHBondContact CB-OG 3.37Å; T28-S62 PolarHBondContact OG1-O 2.9Å; T28-S62 VanDerWaalsContact OG1-O 3.05Å; G31-S62 VanDerWaalsContact CA-O 3.28Å; G31-S62 WeakPolarHBondContact CA-O 3.42Å; G31-S62 PolarHBondContact O-N 3.18Å; S62-S297 WeakPolarHBondContact OG-CB 3.31Å; S62-S297 PolarHBondContact OG-OG 3.4Å; S62-L298 CarbonylContact C-O 3.51Å; S62-L298 VanDerWaalsContact CA-O 3.31Å; S62-L298 WeakPolarHBondContact CA-O 3.44Å; S62-E299 WeakPolarHBondContact OG-CG 3.3Å
63V93.9Very high93.7Very high3 Ų330.4 Ų30.42%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-106.7129176.761.10000110.3Y61 L70 V71 I273 S297 L298Y61-V63 HydrophobicContact CE1-CB 3.83Å; Y61-V63 HydrophobicContact CE1-CG1 3.95Å; Y61-V63 WeakPolarHBondContact OH-CB 3.37Å; V63-L70 HydrophobicContact CG2-CB 3.67Å; V63-L70 HydrophobicContact CG2-CD1 4.35Å; V63-V71 HydrophobicContact CG1-CG2 3.94Å; V63-V71 HydrophobicContact CG2-CG2 3.82Å; V63-I273 HydrophobicContact CG1-CG2 4.16Å; V63-I273 HydrophobicContact CG2-CG2 4.36Å; V63-S297 CarbonylContact O-C 3.56Å; V63-S297 WeakPolarHBondContact O-CA 3.32Å; V63-S297 VanDerWaalsContact O-CB 3.3Å; V63-S297 WeakPolarHBondContact O-CB 3.49Å; V63-L298 HydrophobicContact CG1-CB 3.71Å; V63-L298 HydrophobicContact CG1-CD2 4.25Å; V63-L298 HydrophobicContact CG1-CG 4.47Å; V63-L298 PolarHBondContact N-O 3.49Å; V63-L298 PolarHBondContact O-N 3.44Å
64P92.5Very high93.6Very high17 Ų1724.7 Ų24.711%0.1112%0.123CC..EExtended strand (participates in β ladder)trans-65.6140.5175.125.1-31.4000110.9T28 D66 D67 L70T28-P64 HydrophobicContact CG2-CB 3.89Å; T28-P64 HydrophobicContact CG2-CG 4.39Å; P64-D66 VanDerWaalsContact CB-OD1 3.26Å; P64-D66 WeakPolarHBondContact CB-OD1 3.48Å; P64-D67 HydrophobicContact CG-CB 4.28Å; P64-L70 HydrophobicContact CG-CD1 3.89Å
65L92.2Very high93.5Very high19 Ų1926.3 Ų26.310%0.09913%0.131CC..SBendtrans-87.9-15174.5-66.8179.6000112.5D67 V71 R76 F227 L291 L296 L298L65-D67 PolarHBondContact O-N 2.88Å; L65-V71 HydrophobicContact CD2-CG1 4.49Å; L65-V71 HydrophobicContact CD2-CG2 4.1Å; L65-R76 PolarHBondContact O-NH2 3.06Å; L65-F227 HydrophobicContact CD2-CD1 4.41Å; L65-F227 HydrophobicContact CD2-CE1 3.84Å; L65-F227 HydrophobicContact CD2-CE2 4.4Å; L65-F227 HydrophobicContact CD2-CZ 3.85Å; L65-L291 HydrophobicContact CD1-CD2 3.45Å; L65-L291 VanDerWaalsContact CD1-CD2 3.45Å; L65-L296 PolarHBondContact N-O 3.13Å; L65-L298 HydrophobicContact CD2-CB 4.24Å
66D89.1Confident93.4Very high30 Ų3020.4 Ų20.416%0.1611%0.105CC..SBendtrans-84.56.9177.462-16000113.9L25 H26 P64 L237L25-D66 WeakPolarHBondContact CB-OD2 3.42Å; H26-D66 PolarHBondContact N-OD2 3.28Å; H26-D66 VanDerWaalsContact N-OD2 3.08Å; P64-D66 VanDerWaalsContact CB-OD1 3.26Å; P64-D66 WeakPolarHBondContact CB-OD1 3.48Å; D66-L237 HydrophobicContact CB-CD2 4.15Å; D66-L237 WeakPolarHBondContact O-CD2 3.38Å
67D88.2Confident93.5Very high13 Ų1317.9 Ų17.97%0.079%0.088CC..  trans-105119.9167.4-167.6-35.3000110.5S22 P64 L65 H69 L70 R76S22-D67 WeakPolarHBondContact CB-OD2 3.48Å; S22-D67 PolarHBondContact OG-OD2 3.18Å; P64-D67 HydrophobicContact CG-CB 4.28Å; L65-D67 PolarHBondContact O-N 2.88Å; D67-H69 VanDerWaalsContact C-N 3.27Å; D67-H69 PolarHBondContact O-N 2.88Å; D67-H69 WeakPolarHBondContact OD1-CB 3.46Å; D67-H69 IonicContact OD1-CG 3.65Å; D67-H69 PolarHBondContact OD1-N 3.15Å; D67-H69 IonicContact OD1-ND1 3.03Å; D67-L70 HydrophobicContact CB-CB 4.26Å; D67-L70 HydrophobicContact CB-CD1 3.88Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.36Å; D67-R76 PolarHBondContact O-NH1 3.23Å
68L89.1Confident93.5Very high3 Ų311.1 Ų11.12%0.0166%0.059CC..THydrogen-bonded Turntrans-69.8-23.7-178-165.865.7000112.8R76 L80 V234 L237 Y238 L241L68-R76 HydrophobicContact CD1-CB 3.96Å; L68-R76 HydrophobicContact CD1-CG 3.59Å; L68-L80 HydrophobicContact CD2-CD1 4.39Å; L68-L80 HydrophobicContact CD2-CD2 3.79Å; L68-L80 HydrophobicContact CD2-CG 4.26Å; L68-L80 HydrophobicContact CG-CD1 4.41Å; L68-V234 HydrophobicContact CD1-CG1 4.47Å; L68-L237 HydrophobicContact CB-CB 4.16Å; L68-L237 HydrophobicContact CD1-CB 3.86Å; L68-L237 HydrophobicContact CD1-CD1 4.21Å; L68-L237 HydrophobicContact CG-CB 4.45Å; L68-Y238 HydrophobicContact CD2-CD2 4.35Å; L68-L241 HydrophobicContact CD2-CB 4.37Å; L68-L241 HydrophobicContact CD2-CD2 3.76Å
69H89Confident93.4Very high13 Ų139.6 Ų9.66%0.065%0.051CC..THydrogen-bonded Turntrans-84.7-28.5-175.5-57.9133.2000114.5W18 D67 I123 W124 L241 D245W18-H69 HydrophobicContact CH2-CB 4.11Å; W18-H69 HydrophobicContact CZ2-CB 3.76Å; D67-H69 VanDerWaalsContact C-N 3.27Å; D67-H69 PolarHBondContact O-N 2.88Å; D67-H69 WeakPolarHBondContact OD1-CB 3.46Å; D67-H69 IonicContact OD1-CG 3.65Å; D67-H69 PolarHBondContact OD1-N 3.15Å; D67-H69 IonicContact OD1-ND1 3.03Å; H69-I123 WeakPolarHBondContact CD2-CG2 3.05Å; H69-I123 WeakPolarHBondContact NE2-CG2 3.33Å; H69-W124 HydrophobicContact CB-CZ2 4.35Å; H69-W124 AromaticContact CD2-CH2 3.64Å; H69-W124 AromaticContact CD2-CZ2 3.52Å; H69-W124 PolarHBondContact O-NE1 2.94Å; H69-L241 WeakPolarHBondContact CE1-CD1 3.27Å; H69-L241 WeakPolarHBondContact NE2-CD1 3.49Å; H69-L241 WeakPolarHBondContact NE2-CD2 3.41Å; H69-D245 IonicContact CE1-OD2 2.88Å; H69-D245 PolarHBondContact CE1-OD2 3.36Å; H69-D245 IonicContact ND1-OD2 2.66Å
70L91.5Very high93.3Very high14 Ų148.7 Ų8.77%0.0735%0.045CC..THydrogen-bonded Turntrans-88.8-15.7-169.2-60.5-178.3000113.7W18 L19 V63 P64 D67 I273 P274W18-L70 HydrophobicContact CH2-CD2 4.43Å; W18-L70 HydrophobicContact CZ3-CD2 4.2Å; L19-L70 HydrophobicContact CD2-CD2 3.54Å; V63-L70 HydrophobicContact CG2-CB 3.67Å; V63-L70 HydrophobicContact CG2-CD1 4.35Å; P64-L70 HydrophobicContact CG-CD1 3.89Å; D67-L70 HydrophobicContact CB-CB 4.26Å; D67-L70 HydrophobicContact CB-CD1 3.88Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 WeakPolarHBondContact OD2-CD1 3.36Å; L70-I273 WeakPolarHBondContact O-CG2 3.21Å; L70-P274 WeakPolarHBondContact O-CD 3.47Å
71V94.6Very high93.1Very high0 Ų08.8 Ų8.80%05%0.046CC..  trans-135.1104.8173.9-176.30000108.1V63 L65 T73 R76 F227 I273V63-V71 HydrophobicContact CG1-CG2 3.94Å; V63-V71 HydrophobicContact CG2-CG2 3.82Å; L65-V71 HydrophobicContact CD2-CG1 4.49Å; L65-V71 HydrophobicContact CD2-CG2 4.1Å; V71-T73 HydrophobicContact CG1-CG2 3.91Å; V71-T73 PolarHBondContact O-N 3.17Å; V71-R76 WeakPolarHBondContact O-CD 3.35Å; V71-R76 PolarHBondContact O-NH1 3Å; V71-F227 HydrophobicContact CG1-CE1 4.35Å; V71-F227 HydrophobicContact CG1-CZ 3.93Å; V71-I273 HydrophobicContact CG1-CD1 4.43Å; V71-I273 HydrophobicContact CG1-CG1 4.18Å; V71-I273 HydrophobicContact CG2-CD1 4.48Å; V71-I273 HydrophobicContact CG2-CG1 4.34Å
72L96.4Very high92.8Very high0 Ų09.6 Ų9.60%05%0.05CC..BIsolated β-bridgetrans-94.291.5179.9-69.1174.5000109.6L103 F106 W124 Y127 S271 L272L72-L103 WeakPolarHBondContact O-CD2 3.22Å; L72-F106 HydrophobicContact CD1-CD1 4.29Å; L72-F106 HydrophobicContact CD1-CE1 3.73Å; L72-F106 HydrophobicContact CD2-CE1 3.79Å; L72-F106 HydrophobicContact CD2-CZ 3.84Å; L72-F106 HydrophobicContact CG-CE1 4.39Å; L72-W124 HydrophobicContact CD2-CH2 4.43Å; L72-W124 HydrophobicContact CD2-CZ2 3.43Å; L72-W124 VanDerWaalsContact CD2-CZ2 3.43Å; L72-Y127 HydrophobicContact CD1-CE1 4.47Å; L72-S271 CarbonylContact O-C 3.58Å; L72-S271 VanDerWaalsContact O-CA 3.26Å; L72-S271 WeakPolarHBondContact O-CA 3.32Å; L72-L272 HydrophobicContact CB-CB 4.02Å; L72-L272 WeakPolarHBondContact CB-O 3.18Å; L72-L272 HydrophobicContact CD1-CB 4.21Å; L72-L272 PolarHBondContact N-O 2.72Å; L72-L272 PolarHBondContact O-N 3.46Å
73T96Very high92.6Very high0 Ų010 Ų100%05%0.052CC..  trans-88.8162.3172.773.30000110.7V71 L75 R76 C77 F227 E229 T269 S271V71-T73 HydrophobicContact CG1-CG2 3.91Å; V71-T73 PolarHBondContact O-N 3.17Å; T73-L75 VanDerWaalsContact C-N 3.26Å; T73-L75 PolarHBondContact O-N 3.45Å; T73-L75 PolarHBondContact OG1-N 2.88Å; T73-R76 PolarHBondContact O-N 3.16Å; T73-R76 VanDerWaalsContact OG1-CG 3.27Å; T73-R76 WeakPolarHBondContact OG1-CG 3.49Å; T73-R76 PolarHBondContact OG1-N 3.06Å; T73-R76 VanDerWaalsContact OG1-N 3.15Å; T73-C77 WeakPolarHBondContact O-CB 3.49Å; T73-C77 PolarHBondContact O-N 3.18Å; T73-C77 PolarHBondContact O-SG 3.39Å; T73-F227 HydrophobicContact CG2-CE2 4.2Å; T73-F227 HydrophobicContact CG2-CZ 3.83Å; T73-E229 WeakPolarHBondContact CB-OE1 3.45Å; T73-E229 WeakPolarHBondContact CG2-OE1 3.42Å; T73-E229 PolarHBondContact OG1-OE1 3.44Å; T73-T269 HydrophobicContact CG2-CG2 4.1Å; T73-S271 WeakPolarHBondContact CG2-OG 3.5Å
74P95.3Very high92.4Very high0 Ų09.9 Ų9.90%05%0.051CC..Hα-helixtrans-55.1-40.2173.7-26.531.5000112.9C77 A78 S99 T102 L103 L260 M262 I270P74-C77 PolarHBondContact O-N 3.01Å; P74-A78 WeakPolarHBondContact O-CB 3.48Å; P74-A78 PolarHBondContact O-N 3.37Å; P74-S99 WeakPolarHBondContact CG-O 3.45Å; P74-T102 HydrophobicContact CB-CG2 4.29Å; P74-T102 VanDerWaalsContact O-CG2 3.24Å; P74-T102 WeakPolarHBondContact O-CG2 3.22Å; P74-L103 HydrophobicContact CG-CD2 4.32Å; P74-L103 HydrophobicContact CG-CG 4.22Å; P74-L260 HydrophobicContact CB-CD1 3.87Å; P74-L260 HydrophobicContact CB-CD2 3.97Å; P74-M262 HydrophobicContact CB-CE 3.76Å; P74-M262 HydrophobicContact CG-CE 4.38Å; P74-I270 WeakPolarHBondContact CD-O 3.39Å; P74-I270 HydrophobicContact CG-CD1 4.45Å; P74-I270 HydrophobicContact CG-CG1 3.85Å
75L94.3Very high92.1Very high33 Ų3310.1 Ų10.117%0.1735%0.053CC..Hα-helixtrans-66.7-42.8-179.6-169.962000111.6T73 Y79 E229 V234 L260 M262T73-L75 VanDerWaalsContact C-N 3.26Å; T73-L75 PolarHBondContact O-N 3.45Å; T73-L75 PolarHBondContact OG1-N 2.88Å; L75-Y79 VanDerWaalsContact O-CB 3.31Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.18Å; L75-E229 HydrophobicContact CB-CG 4.25Å; L75-E229 HydrophobicContact CD2-CG 3.79Å; L75-V234 HydrophobicContact CB-CG2 4.42Å; L75-V234 HydrophobicContact CD2-CG2 3.85Å; L75-V234 HydrophobicContact CG-CG2 3.94Å; L75-L260 HydrophobicContact CB-CD2 4.17Å; L75-L260 HydrophobicContact CD1-CD2 4Å; L75-M262 HydrophobicContact CB-CE 4.29Å
76R94.9Very high91.8Very high5 Ų511.3 Ų11.32%0.0196%0.062CC..Hα-helixtrans-63-47.3174.8-66.2171.5-179.3-147.1-2.4111.2L65 D67 L68 V71 T73 Y79 L80 E229 V234L65-R76 PolarHBondContact O-NH2 3.06Å; D67-R76 PolarHBondContact O-NH1 3.23Å; L68-R76 HydrophobicContact CD1-CB 3.96Å; L68-R76 HydrophobicContact CD1-CG 3.59Å; V71-R76 WeakPolarHBondContact O-CD 3.35Å; V71-R76 PolarHBondContact O-NH1 3Å; T73-R76 PolarHBondContact O-N 3.16Å; T73-R76 VanDerWaalsContact OG1-CG 3.27Å; T73-R76 WeakPolarHBondContact OG1-CG 3.49Å; T73-R76 PolarHBondContact OG1-N 3.06Å; T73-R76 VanDerWaalsContact OG1-N 3.15Å; R76-Y79 PolarHBondContact O-N 3.43Å; R76-L80 WeakPolarHBondContact O-CB 3.22Å; R76-L80 WeakPolarHBondContact O-CD1 3.3Å; R76-L80 WeakPolarHBondContact O-CG 3.18Å; R76-L80 PolarHBondContact O-N 3.35Å; R76-E229 VanDerWaalsContact CG-OE2 3.26Å; R76-E229 WeakPolarHBondContact CG-OE2 3.27Å; R76-E229 IonicContact CZ-OE2 2.93Å; R76-E229 IonicContact NE-OE1 3.96Å; R76-E229 IonicContact NE-OE2 3.88Å; R76-E229 PolarHBondContact NE-OE2 3.05Å; R76-E229 IonicContact NH2-OE2 3.21Å; R76-V234 HydrophobicContact CG-CG1 4.25Å; R76-V234 HydrophobicContact CG-CG2 3.9Å
77C95.7Very high91.7Very high0 Ų010.4 Ų10.40%06%0.057CC..Hα-helixtrans-61.5-46179.9-74.50000112.4T73 P74 L80 L81 T102 L103 F106T73-C77 WeakPolarHBondContact O-CB 3.49Å; T73-C77 PolarHBondContact O-N 3.18Å; T73-C77 PolarHBondContact O-SG 3.39Å; P74-C77 PolarHBondContact O-N 3.01Å; C77-L80 PolarHBondContact O-N 3.15Å; C77-L81 WeakPolarHBondContact O-CB 3.43Å; C77-L81 VanDerWaalsContact O-CG 3.28Å; C77-L81 WeakPolarHBondContact O-CG 3.42Å; C77-L81 PolarHBondContact O-N 3.42Å; C77-T102 HydrophobicContact CB-CG2 4.01Å; C77-L103 HydrophobicContact CB-CD2 4.2Å; C77-L103 VanDerWaalsContact SG-CD2 3.57Å; C77-F106 HydrophobicContact CB-CB 3.83Å; C77-F106 HydrophobicContact CB-CD2 4Å; C77-F106 HydrophobicContact CB-CG 3.97Å; C77-F106 VanDerWaalsContact SG-CG 3.56Å
78A94Very high91.2Very high4 Ų414.5 Ų14.53%0.0338%0.076CC..Hα-helixtrans-60-47174.500000111.2P74 L80 L81 N82 T102 V258 L260P74-A78 WeakPolarHBondContact O-CB 3.48Å; P74-A78 PolarHBondContact O-N 3.37Å; A78-L80 PolarHBondContact O-N 2.92Å; A78-L81 PolarHBondContact O-N 2.86Å; A78-N82 WeakPolarHBondContact O-CB 3.37Å; A78-N82 VanDerWaalsContact O-CG 3.24Å; A78-N82 PolarHBondContact O-N 3.23Å; A78-N82 PolarHBondContact O-ND2 3.01Å; A78-T102 HydrophobicContact CB-CG2 3.84Å; A78-V258 HydrophobicContact CB-CB 4.48Å; A78-V258 HydrophobicContact CB-CG1 3.97Å; A78-L260 HydrophobicContact CB-CB 4.19Å; A78-L260 HydrophobicContact CB-CD2 4.24Å
79Y92.6Very high90.5Very high22 Ų2222.1 Ų22.19%0.08611%0.111CC..Hα-helixtrans-59.4-46.3178.4-166.6-84000111.8L75 R76 N82 H83 L231 V234 Q235 Y238L75-Y79 VanDerWaalsContact O-CB 3.31Å; L75-Y79 WeakPolarHBondContact O-CB 3.49Å; L75-Y79 PolarHBondContact O-N 3.18Å; R76-Y79 PolarHBondContact O-N 3.43Å; Y79-N82 PolarHBondContact O-N 2.94Å; Y79-H83 AromaticContact CD1-CE1 3.85Å; Y79-H83 AromaticContact CD1-ND1 3.65Å; Y79-H83 AromaticContact CE1-CE1 3.24Å; Y79-H83 WeakPolarHBondContact CE1-CE1 3.17Å; Y79-H83 AromaticContact CE1-ND1 3.41Å; Y79-H83 WeakPolarHBondContact CE1-ND1 3.4Å; Y79-H83 AromaticContact CE1-NE2 3.74Å; Y79-H83 AromaticContact CE2-CE1 3.6Å; Y79-H83 AromaticContact CZ-CE1 3.09Å; Y79-H83 AromaticContact CZ-ND1 3.77Å; Y79-H83 AromaticContact CZ-NE2 3.58Å; Y79-H83 PolarHBondContact O-N 3.35Å; Y79-H83 PolarHBondContact O-ND1 2.69Å; Y79-H83 PolarHBondContact OH-CE1 2.67Å; Y79-H83 VanDerWaalsContact OH-CE1 3.23Å; Y79-H83 PolarHBondContact OH-NE2 3.08Å; Y79-L231 HydrophobicContact CD2-CD1 3.61Å; Y79-L231 HydrophobicContact CE2-CD1 3.95Å; Y79-V234 HydrophobicContact CD1-CG1 3.99Å; Y79-V234 HydrophobicContact CD2-CG1 4.09Å; Y79-V234 HydrophobicContact CG-CG1 3.6Å; Y79-Q235 HydrophobicContact CD2-CG 4.46Å; Y79-Q235 HydrophobicContact CE2-CG 3.44Å; Y79-Q235 VanDerWaalsContact CE2-CG 3.44Å; Y79-Q235 WeakPolarHBondContact OH-CG 3.17Å; Y79-Y238 HydrophobicContact CD1-CD2 4.08Å; Y79-Y238 HydrophobicContact CD1-CG 4.09Å; Y79-Y238 AromaticContact CE1-CD1 3.69Å; Y79-Y238 HydrophobicContact CE1-CD1 3.69Å; Y79-Y238 AromaticContact CE1-CD2 3.83Å; Y79-Y238 HydrophobicContact CE1-CD2 3.83Å; Y79-Y238 HydrophobicContact CE1-CE1 4.13Å; Y79-Y238 HydrophobicContact CE1-CE2 4.27Å; Y79-Y238 AromaticContact CE1-CG 3.48Å; Y79-Y238 HydrophobicContact CE1-CG 3.48Å; Y79-Y238 VanDerWaalsContact CE1-CG 3.48Å
80L92.9Very high89.6Confident0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-63.7-42.2178.6-75.1164.3000112.5L68 R76 C77 A78 H83 C84 F106 L120 W124 Y238 L241L68-L80 HydrophobicContact CD2-CD1 4.39Å; L68-L80 HydrophobicContact CD2-CD2 3.79Å; L68-L80 HydrophobicContact CD2-CG 4.26Å; L68-L80 HydrophobicContact CG-CD1 4.41Å; R76-L80 WeakPolarHBondContact O-CB 3.22Å; R76-L80 WeakPolarHBondContact O-CD1 3.3Å; R76-L80 WeakPolarHBondContact O-CG 3.18Å; R76-L80 PolarHBondContact O-N 3.35Å; C77-L80 PolarHBondContact O-N 3.15Å; A78-L80 PolarHBondContact O-N 2.92Å; L80-H83 PolarHBondContact O-N 3.37Å; L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 VanDerWaalsContact O-N 3.12Å; L80-F106 HydrophobicContact CB-CD2 4.48Å; L80-F106 HydrophobicContact CB-CE2 3.97Å; L80-F106 HydrophobicContact CD1-CE2 3.83Å; L80-F106 HydrophobicContact CD1-CZ 4.26Å; L80-L120 HydrophobicContact CB-CD1 4.31Å; L80-L120 HydrophobicContact CB-CD2 3.89Å; L80-L120 HydrophobicContact CD2-CD2 3.88Å; L80-L120 HydrophobicContact CG-CD2 4.4Å; L80-W124 HydrophobicContact CD1-CH2 3.41Å; L80-W124 VanDerWaalsContact CD1-CH2 3.41Å; L80-W124 HydrophobicContact CD1-CZ2 3.97Å; L80-W124 HydrophobicContact CD1-CZ3 4.26Å; L80-W124 HydrophobicContact CD2-CH2 4.07Å; L80-W124 HydrophobicContact CG-CH2 4.35Å; L80-Y238 HydrophobicContact CD2-CD2 4.18Å; L80-L241 HydrophobicContact CD2-CD2 4.38Å
81L91.9Very high88.2Confident2 Ų229.3 Ų29.31%0.0114%0.143CC..Hα-helixtrans-61.6-46.5175.4-74.7169.3000111C77 A78 H83 C84 F87 A105 F106 H109 L120 V258C77-L81 WeakPolarHBondContact O-CB 3.43Å; C77-L81 VanDerWaalsContact O-CG 3.28Å; C77-L81 WeakPolarHBondContact O-CG 3.42Å; C77-L81 PolarHBondContact O-N 3.42Å; A78-L81 PolarHBondContact O-N 2.86Å; L81-H83 PolarHBondContact O-N 3.39Å; L81-H83 VanDerWaalsContact O-N 3.13Å; L81-C84 PolarHBondContact O-N 3.47Å; L81-F87 HydrophobicContact CB-CE2 4.47Å; L81-F87 HydrophobicContact CD2-CE2 3.7Å; L81-F87 HydrophobicContact CD2-CZ 4.06Å; L81-F87 WeakPolarHBondContact O-CD2 3.46Å; L81-A105 HydrophobicContact CD1-CB 4.15Å; L81-F106 HydrophobicContact CD1-CB 4.24Å; L81-F106 HydrophobicContact CD2-CD2 4.5Å; L81-F106 HydrophobicContact CG-CD2 4.23Å; L81-H109 HydrophobicContact CD2-CB 3.92Å; L81-L120 HydrophobicContact CD2-CD1 4.19Å; L81-V258 HydrophobicContact CB-CG2 4.39Å; L81-V258 HydrophobicContact CD1-CG2 3.98Å
82N90.5Very high86.8Confident22 Ų2239.8 Ų39.812%0.11818%0.183CC..Hα-helixtrans-63.1-19.4179.9-74-11.5000114A78 Y79 F255 V257 V258A78-N82 WeakPolarHBondContact O-CB 3.37Å; A78-N82 VanDerWaalsContact O-CG 3.24Å; A78-N82 PolarHBondContact O-N 3.23Å; A78-N82 PolarHBondContact O-ND2 3.01Å; Y79-N82 PolarHBondContact O-N 2.94Å; N82-F255 WeakPolarHBondContact CA-O 3.5Å; N82-F255 WeakPolarHBondContact CB-O 3.5Å; N82-F255 PolarHBondContact O-N 3.15Å; N82-F255 VanDerWaalsContact O-N 3.11Å; N82-F255 PolarHBondContact OD1-O 3.14Å; N82-F255 VanDerWaalsContact OD1-O 3.09Å; N82-V257 PolarHBondContact OD1-N 3.4Å; N82-V258 PolarHBondContact ND2-O 3.07Å; N82-V258 PolarHBondContact OD1-N 3.29Å
83H89.9Confident85.4Confident10 Ų1044.5 Ų44.55%0.04620%0.201CC..THydrogen-bonded Turntrans-105.1-1.5176.9-71.378.4000113.9Y79 L80 L81 P85 Y238 F251 C252 D254Y79-H83 AromaticContact CD1-CE1 3.85Å; Y79-H83 AromaticContact CD1-ND1 3.65Å; Y79-H83 AromaticContact CE1-CE1 3.24Å; Y79-H83 WeakPolarHBondContact CE1-CE1 3.17Å; Y79-H83 AromaticContact CE1-ND1 3.41Å; Y79-H83 WeakPolarHBondContact CE1-ND1 3.4Å; Y79-H83 AromaticContact CE1-NE2 3.74Å; Y79-H83 AromaticContact CE2-CE1 3.6Å; Y79-H83 AromaticContact CZ-CE1 3.09Å; Y79-H83 AromaticContact CZ-ND1 3.77Å; Y79-H83 AromaticContact CZ-NE2 3.58Å; Y79-H83 PolarHBondContact O-N 3.35Å; Y79-H83 PolarHBondContact O-ND1 2.69Å; Y79-H83 PolarHBondContact OH-CE1 2.67Å; Y79-H83 VanDerWaalsContact OH-CE1 3.23Å; Y79-H83 PolarHBondContact OH-NE2 3.08Å; L80-H83 PolarHBondContact O-N 3.37Å; L81-H83 PolarHBondContact O-N 3.39Å; L81-H83 VanDerWaalsContact O-N 3.13Å; H83-P85 WeakPolarHBondContact O-CD 3.45Å; H83-Y238 HydrophobicContact CB-CE2 3.95Å; H83-Y238 VanDerWaalsContact CB-OH 3.29Å; H83-Y238 WeakPolarHBondContact CB-OH 3.4Å; H83-Y238 AromaticContact CD2-CE1 3.91Å; H83-Y238 AromaticContact CD2-CZ 3.64Å; H83-Y238 PolarHBondContact CD2-OH 3.03Å; H83-Y238 VanDerWaalsContact CD2-OH 3.24Å; H83-Y238 AromaticContact CG-CZ 3.78Å; H83-F251 HydrophobicContact CB-CD1 4.04Å; H83-F251 VanDerWaalsContact O-CD1 3.31Å; H83-F251 WeakPolarHBondContact O-CD1 3.4Å; H83-C252 VanDerWaalsContact C-SG 3.57Å; H83-C252 PolarHBondContact O-SG 3Å; H83-D254 IonicContact CE1-OD1 3.81Å; H83-D254 PolarHBondContact CE1-OD1 2.71Å; H83-D254 IonicContact ND1-OD1 3.69Å; H83-D254 IonicContact NE2-OD1 3.08Å; H83-D254 PolarHBondContact NE2-OD1 2.95Å; H83-D254 VanDerWaalsContact NE2-OD1 3.08Å
84C89Confident84.7Confident0 Ų049.7 Ų49.70%023%0.225CC..  trans-76.7127.6-178.2-178.30000110.7L80 L81 C86 F87 H109 L120L80-C84 PolarHBondContact O-N 3.4Å; L80-C84 VanDerWaalsContact O-N 3.12Å; L81-C84 PolarHBondContact O-N 3.47Å; C84-C86 PolarHBondContact O-N 2.97Å; C84-F87 HydrophobicContact CB-CD2 3.86Å; C84-F87 HydrophobicContact CB-CE2 4.11Å; C84-F87 PolarHBondContact O-N 3.06Å; C84-H109 PolarHBondContact SG-NE2 3.34Å; C84-L120 HydrophobicContact CB-CD1 3.71Å; C84-L120 HydrophobicContact CB-CG 3.99Å
85P86.6Confident84.2Confident23 Ų2350 Ų5015%0.14923%0.228CC..G310 helixtrans-57.9-18.6-179.6-27.435.2000115H83 F87 E88 I119H83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-F87 PolarHBondContact O-N 3.02Å; P85-F87 VanDerWaalsContact O-N 3.14Å; P85-E88 PolarHBondContact O-N 3.45Å; P85-I119 HydrophobicContact CG-CD1 3.84Å; P85-I119 HydrophobicContact CG-CG1 4.34Å
86C87.3Confident84Confident44 Ų4454.6 Ų54.630%0.29725%0.253SS..G310 helixtrans-58.8-21.3173.4-71.60000113.4C84 H109 S113 C118C84-C86 PolarHBondContact O-N 2.97Å; C86-H109 VanDerWaalsContact CB-CE1 3.45Å; C86-H109 WeakPolarHBondContact CB-CE1 3.47Å; C86-S113 PolarHBondContact SG-OG 3.11Å; C86-S113 VanDerWaalsContact SG-OG 3.39Å; C86-C118 VanDerWaalsContact SG-CB 3.54Å
87F85.8Confident83.9Confident10 Ų1054.4 Ų54.44%0.04425%0.252CS..G310 helixtrans-109.710.9-174.8-59.4-66.6000114L81 C84 P85 H89 S90 H109 I188 F189 V257L81-F87 HydrophobicContact CB-CE2 4.47Å; L81-F87 HydrophobicContact CD2-CE2 3.7Å; L81-F87 HydrophobicContact CD2-CZ 4.06Å; L81-F87 WeakPolarHBondContact O-CD2 3.46Å; C84-F87 HydrophobicContact CB-CD2 3.86Å; C84-F87 HydrophobicContact CB-CE2 4.11Å; C84-F87 PolarHBondContact O-N 3.06Å; P85-F87 PolarHBondContact O-N 3.02Å; P85-F87 VanDerWaalsContact O-N 3.14Å; F87-H89 PolarHBondContact O-N 3.44Å; F87-S90 WeakPolarHBondContact CB-OG 3.41Å; F87-S90 PolarHBondContact O-N 3.31Å; F87-S90 PolarHBondContact O-OG 2.97Å; F87-H109 AromaticContact CE2-CE1 3.72Å; F87-H109 AromaticContact CE2-ND1 3.8Å; F87-H109 AromaticContact CE2-NE2 3.98Å; F87-H109 AromaticContact CZ-CE1 3.73Å; F87-H109 AromaticContact CZ-CG 3.89Å; F87-H109 AromaticContact CZ-ND1 3.41Å; F87-H109 WeakPolarHBondContact CZ-ND1 3.19Å; F87-I188 HydrophobicContact CD1-CG2 4.2Å; F87-I188 HydrophobicContact CE1-CG2 3.55Å; F87-I188 HydrophobicContact CZ-CG2 4.15Å; F87-F189 HydrophobicContact CE1-CD1 4.41Å; F87-F189 HydrophobicContact CE1-CE1 4.05Å; F87-F189 AromaticContact CZ-CE1 3.87Å; F87-F189 HydrophobicContact CZ-CE1 3.87Å; F87-F189 HydrophobicContact CZ-CZ 4.34Å; F87-V257 HydrophobicContact CB-CG2 3.67Å; F87-V257 HydrophobicContact CD1-CG1 4.13Å; F87-V257 HydrophobicContact CG-CG1 4.37Å; F87-V257 HydrophobicContact CG-CG2 4.16Å
88E78.6Confident83.8Confident99 Ų9957.8 Ų57.846%0.46327%0.27SS..THydrogen-bonded Turntrans-55.2-29-178.8-175.4175.3-163.800113.9P85 F255P85-E88 PolarHBondContact O-N 3.45Å; E88-F255 VanDerWaalsContact CA-CE2 3.43Å; E88-F255 HydrophobicContact CB-CE2 3.87Å; E88-F255 HydrophobicContact CB-CZ 4.28Å; E88-F255 HydrophobicContact CG-CE2 3.86Å; E88-F255 HydrophobicContact CG-CZ 3.79Å
89H73.5Confident83.7Confident163 Ų16359.2 Ų59.276%0.75528%0.28SS*.THydrogen-bonded Turntrans-101.31.6-180-58.784.8000113.7F87 K91F87-H89 PolarHBondContact O-N 3.44Å; H89-K91 PolarHBondContact O-N 2.72Å
90S71.1Confident83.8Confident13 Ų1361.3 Ų61.39%0.09129%0.293CS..  trans-90.713.6-172.472.90000114.4F87 R92 Y93 V257F87-S90 WeakPolarHBondContact CB-OG 3.41Å; F87-S90 PolarHBondContact O-N 3.31Å; F87-S90 PolarHBondContact O-OG 2.97Å; S90-R92 PolarHBondContact O-N 3.02Å; S90-Y93 PolarHBondContact O-N 2.76Å; S90-V257 WeakPolarHBondContact OG-CG2 3.05Å
91K61.4Low83.9Confident166 Ų16661.6 Ų61.672%0.72229%0.294SS*.THydrogen-bonded Turntrans-50.6-9.4178.3-69.4-168.1-176.6-171.30116H89 F255H89-K91 PolarHBondContact O-N 2.72Å; K91-F255 HydrophobicContact CD-CD1 4.39Å; K91-F255 VanDerWaalsContact CE-CD1 3.42Å; K91-F255 HydrophobicContact CG-CD1 4.07Å
92R64.2Low84.1Confident220 Ų22061.5 Ų61.583%0.8329%0.293SS*.THydrogen-bonded Turntrans-87.8-13176.1-66.6-175.1179.51640.5114S90S90-R92 PolarHBondContact O-N 3.02Å
93Y69.1Low84.5Confident98 Ų9860.5 Ų60.538%0.38429%0.288SS..  trans-126.797-171.7-56-73.9000109.1S90 P187S90-Y93 PolarHBondContact O-N 2.76Å; Y93-P187 WeakPolarHBondContact CB-O 3.34Å
94Q79.5Confident84.9Confident109 Ų10960.2 Ų60.251%0.50929%0.287SS..  trans-103124.2169.1-177.5175.25.200107.7E256 V257 S259Q94-E256 VanDerWaalsContact NE2-CD 3.27Å; Q94-E256 PolarHBondContact NE2-OE1 3.23Å; Q94-E256 VanDerWaalsContact NE2-OE1 3.14Å; Q94-V257 WeakPolarHBondContact CA-O 3.39Å; Q94-S259 PolarHBondContact NE2-OG 3.37Å; Q94-S259 VanDerWaalsContact NE2-OG 3.11Å
95A86.4Confident85.2Confident8 Ų860.2 Ų60.27%0.06629%0.287CS..EExtended strand (participates in β ladder)trans-109.4128.2173.400000109.9L97 I188 V257 S259A95-L97 HydrophobicContact CB-CD2 3.83Å; A95-L97 HydrophobicContact CB-CG 4.04Å; A95-L97 PolarHBondContact O-N 2.57Å; A95-I188 HydrophobicContact CB-CD1 3.74Å; A95-I188 HydrophobicContact CB-CG1 3.72Å; A95-V257 PolarHBondContact N-O 2.98Å; A95-S259 PolarHBondContact O-N 3.06Å; A95-S259 PolarHBondContact O-OG 3.31Å
96N89.7Confident85.7Confident128 Ų12859.1 Ų59.168%0.68428%0.28SS*.EExtended strand (participates in β ladder)trans-81.8105.2166.7-73.3-40.9000108.1S259N96-S259 CarbonylContact C-O 3.39Å; N96-S259 WeakPolarHBondContact CA-O 3.41Å; N96-S259 WeakPolarHBondContact OD1-CB 3.32Å; N96-S259 PolarHBondContact OD1-OG 3.01Å
97L93Very high86.2Confident1 Ų157.1 Ų57.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-107.5142.6-177.4-60-172.3000110.8A95 D101 T102 A105 C184 I185 I188 V258 S259 F261A95-L97 HydrophobicContact CB-CD2 3.83Å; A95-L97 HydrophobicContact CB-CG 4.04Å; A95-L97 PolarHBondContact O-N 2.57Å; L97-D101 HydrophobicContact CB-CB 4.1Å; L97-D101 HydrophobicContact CD2-CB 4.2Å; L97-T102 WeakPolarHBondContact CB-OG1 3.38Å; L97-A105 HydrophobicContact CD1-CB 3.9Å; L97-C184 HydrophobicContact CD2-CB 4.02Å; L97-I185 HydrophobicContact CD1-CG1 4.14Å; L97-I185 HydrophobicContact CD2-CG1 3.87Å; L97-I188 HydrophobicContact CD1-CD1 3.91Å; L97-V258 HydrophobicContact CB-CG1 4.27Å; L97-V258 HydrophobicContact CD1-CG1 3.91Å; L97-V258 HydrophobicContact CD1-CG2 4.15Å; L97-V258 HydrophobicContact CG-CG1 4.17Å; L97-S259 PolarHBondContact N-O 3.15Å; L97-F261 PolarHBondContact O-N 3.12Å
98N91.9Very high86.7Confident72 Ų7257.5 Ų57.539%0.38527%0.267SS..  trans-73.7178.3165.767.250.4000110.4L100 D101 T102N98-L100 PolarHBondContact O-N 3.3Å; N98-L100 PolarHBondContact OD1-N 2.97Å; N98-D101 PolarHBondContact ND2-OD2 3.45Å; N98-D101 WeakPolarHBondContact OD1-CB 3.49Å; N98-D101 PolarHBondContact OD1-N 2.85Å; N98-T102 WeakPolarHBondContact O-CB 3.34Å; N98-T102 PolarHBondContact O-N 3.26Å; N98-T102 PolarHBondContact O-OG1 2.86Å
99S92.8Very high87.5Confident34 Ų3453.1 Ų53.124%0.23825%0.247CC..Hα-helixtrans-60.2-45.9-177.7-71.90000113.4P74 L103P74-S99 WeakPolarHBondContact CG-O 3.45Å; S99-L103 PolarHBondContact O-N 3.47Å
100L94.1Very high88.5Confident66 Ų6645.4 Ų45.435%0.34621%0.211SC..Hα-helixtrans-66.5-48.7-179.5-80.9166.1000110.9N98 T102 L103 I104 V218 I270N98-L100 PolarHBondContact O-N 3.3Å; N98-L100 PolarHBondContact OD1-N 2.97Å; L100-T102 PolarHBondContact O-N 3.46Å; L100-L103 WeakPolarHBondContact O-CB 3.45Å; L100-L103 PolarHBondContact O-N 3.05Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.19Å; L100-I104 PolarHBondContact O-N 2.91Å; L100-V218 HydrophobicContact CD2-CG1 3.74Å; L100-I270 HydrophobicContact CB-CD1 4.3Å; L100-I270 HydrophobicContact CD2-CD1 3.56Å; L100-I270 HydrophobicContact CG-CD1 3.63Å
101D96.1Very high89.6Confident5 Ų548.2 Ų48.23%0.02722%0.222CC..Hα-helixtrans-60.8-32.6-178.5-70.4-19.8000112.2L97 N98 I104 A105 S181 I185L97-D101 HydrophobicContact CB-CB 4.1Å; L97-D101 HydrophobicContact CD2-CB 4.2Å; N98-D101 PolarHBondContact ND2-OD2 3.45Å; N98-D101 WeakPolarHBondContact OD1-CB 3.49Å; N98-D101 PolarHBondContact OD1-N 2.85Å; D101-I104 PolarHBondContact O-N 3.37Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.31Å; D101-A105 PolarHBondContact O-N 3.47Å; D101-S181 WeakPolarHBondContact OD1-CA 3.46Å; D101-S181 WeakPolarHBondContact OD1-CB 3.41Å; D101-S181 PolarHBondContact OD1-OG 3.11Å; D101-I185 HydrophobicContact CB-CD1 3.87Å; D101-I185 HydrophobicContact CB-CG1 4.15Å; D101-I185 VanDerWaalsContact O-CD1 3.23Å; D101-I185 WeakPolarHBondContact O-CD1 3.41Å
102T96.2Very high91Very high0 Ų042.2 Ų42.20%020%0.2CC..Hα-helixtrans-66.1-42.2175-600000112.2P74 C77 A78 L97 N98 L100 I104 F106 V258 L260P74-T102 HydrophobicContact CB-CG2 4.29Å; P74-T102 VanDerWaalsContact O-CG2 3.24Å; P74-T102 WeakPolarHBondContact O-CG2 3.22Å; C77-T102 HydrophobicContact CB-CG2 4.01Å; A78-T102 HydrophobicContact CB-CG2 3.84Å; L97-T102 WeakPolarHBondContact CB-OG1 3.38Å; N98-T102 WeakPolarHBondContact O-CB 3.34Å; N98-T102 PolarHBondContact O-N 3.26Å; N98-T102 PolarHBondContact O-OG1 2.86Å; L100-T102 PolarHBondContact O-N 3.46Å; T102-I104 VanDerWaalsContact C-N 3.34Å; T102-F106 WeakPolarHBondContact O-CB 3.47Å; T102-F106 PolarHBondContact O-N 3.3Å; T102-F106 VanDerWaalsContact O-N 3.1Å; T102-V258 HydrophobicContact CG2-CG1 4.37Å; T102-L260 HydrophobicContact CG2-CD1 4.27Å; T102-L260 VanDerWaalsContact OG1-CD1 3.24Å; T102-L260 WeakPolarHBondContact OG1-CD1 3.4Å
103L97.5Very high92.1Very high1 Ų132.3 Ų32.31%0.00517%0.165CC..Hα-helixtrans-65.4-40.1173.5-62.9-177.2000111L72 P74 C77 S99 L100 F106 M107 V218 C222 I270L72-L103 WeakPolarHBondContact O-CD2 3.22Å; P74-L103 HydrophobicContact CG-CD2 4.32Å; P74-L103 HydrophobicContact CG-CG 4.22Å; C77-L103 HydrophobicContact CB-CD2 4.2Å; C77-L103 VanDerWaalsContact SG-CD2 3.57Å; S99-L103 PolarHBondContact O-N 3.47Å; L100-L103 WeakPolarHBondContact O-CB 3.45Å; L100-L103 PolarHBondContact O-N 3.05Å; L103-F106 PolarHBondContact O-N 3.42Å; L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.26Å; L103-V218 HydrophobicContact CB-CG1 3.87Å; L103-V218 HydrophobicContact CB-CG2 3.82Å; L103-V218 HydrophobicContact CD1-CG1 4.2Å; L103-C222 HydrophobicContact CD1-CB 4.33Å; L103-I270 HydrophobicContact CD1-CD1 3.8Å; L103-I270 HydrophobicContact CD1-CG1 3.95Å
104I98.2Very high92.8Very high4 Ų433.7 Ų33.72%0.02118%0.184CC..Hα-helixtrans-63.7-47.5179.1-64.9161.5000110.1L100 D101 T102 F106 M107 Y108 I185 F211 A214 W215 V218L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.19Å; L100-I104 PolarHBondContact O-N 2.91Å; D101-I104 PolarHBondContact O-N 3.37Å; T102-I104 VanDerWaalsContact C-N 3.34Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 3.31Å; I104-M107 PolarHBondContact O-N 2.84Å; I104-Y108 VanDerWaalsContact O-CB 3.23Å; I104-Y108 WeakPolarHBondContact O-CB 3.27Å; I104-Y108 PolarHBondContact O-N 2.94Å; I104-I185 HydrophobicContact CB-CD1 3.89Å; I104-I185 HydrophobicContact CG2-CD1 3.77Å; I104-F211 HydrophobicContact CG2-CD2 4.41Å; I104-F211 HydrophobicContact CG2-CE2 3.7Å; I104-F211 HydrophobicContact CG2-CZ 3.77Å; I104-A214 HydrophobicContact CG2-CB 4.38Å; I104-W215 HydrophobicContact CD1-CG 4.25Å; I104-W215 HydrophobicContact CG2-CB 4.48Å; I104-V218 HydrophobicContact CB-CG2 4.42Å; I104-V218 HydrophobicContact CG1-CB 3.76Å; I104-V218 HydrophobicContact CG1-CG1 4.05Å; I104-V218 HydrophobicContact CG1-CG2 3.74Å
105A96.4Very high93.1Very high0 Ų030.6 Ų30.60%017%0.174CC..Hα-helixtrans-58.9-40.2177.200000111.7L81 L97 D101 H109 I185 F189L81-A105 HydrophobicContact CD1-CB 4.15Å; L97-A105 HydrophobicContact CD1-CB 3.9Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.31Å; D101-A105 PolarHBondContact O-N 3.47Å; A105-H109 VanDerWaalsContact O-CB 3.26Å; A105-H109 WeakPolarHBondContact O-CB 3.29Å; A105-H109 PolarHBondContact O-N 3.43Å; A105-I185 HydrophobicContact CB-CD1 4.25Å; A105-I185 HydrophobicContact CB-CG1 4.31Å; A105-I185 HydrophobicContact CB-CG2 3.86Å; A105-F189 HydrophobicContact CB-CE2 4.47Å
106F97.1Very high92.9Very high1 Ų135.9 Ų35.90%0.00421%0.205CC..Hα-helixtrans-63.7-50.3176.1-179.3-90.9000112.3L72 C77 L80 L81 T102 L103 I104 H109 C110 L120 W124L72-F106 HydrophobicContact CD1-CD1 4.29Å; L72-F106 HydrophobicContact CD1-CE1 3.73Å; L72-F106 HydrophobicContact CD2-CE1 3.79Å; L72-F106 HydrophobicContact CD2-CZ 3.84Å; L72-F106 HydrophobicContact CG-CE1 4.39Å; C77-F106 HydrophobicContact CB-CB 3.83Å; C77-F106 HydrophobicContact CB-CD2 4Å; C77-F106 HydrophobicContact CB-CG 3.97Å; C77-F106 VanDerWaalsContact SG-CG 3.56Å; L80-F106 HydrophobicContact CB-CD2 4.48Å; L80-F106 HydrophobicContact CB-CE2 3.97Å; L80-F106 HydrophobicContact CD1-CE2 3.83Å; L80-F106 HydrophobicContact CD1-CZ 4.26Å; L81-F106 HydrophobicContact CD1-CB 4.24Å; L81-F106 HydrophobicContact CD2-CD2 4.5Å; L81-F106 HydrophobicContact CG-CD2 4.23Å; T102-F106 WeakPolarHBondContact O-CB 3.47Å; T102-F106 PolarHBondContact O-N 3.3Å; T102-F106 VanDerWaalsContact O-N 3.1Å; L103-F106 PolarHBondContact O-N 3.42Å; I104-F106 VanDerWaalsContact C-N 3.27Å; I104-F106 PolarHBondContact O-N 3.31Å; F106-H109 PolarHBondContact O-N 3.07Å; F106-C110 PolarHBondContact O-N 2.81Å; F106-C110 PolarHBondContact O-SG 2.85Å; F106-L120 HydrophobicContact CD2-CD1 4.34Å; F106-L120 HydrophobicContact CE2-CD1 3.97Å; F106-L120 HydrophobicContact CE2-CD2 4.44Å; F106-W124 HydrophobicContact CE1-CD2 4.15Å; F106-W124 HydrophobicContact CE1-CE3 4.39Å; F106-W124 HydrophobicContact CE2-CE3 4.44Å; F106-W124 HydrophobicContact CE2-CH2 4.34Å; F106-W124 HydrophobicContact CE2-CZ3 4.2Å; F106-W124 AromaticContact CZ-CD2 3.71Å; F106-W124 HydrophobicContact CZ-CD2 3.71Å; F106-W124 AromaticContact CZ-CE2 3.84Å; F106-W124 AromaticContact CZ-CE3 3.58Å; F106-W124 HydrophobicContact CZ-CE3 3.58Å; F106-W124 HydrophobicContact CZ-CG 4.49Å; F106-W124 AromaticContact CZ-CH2 3.82Å; F106-W124 HydrophobicContact CZ-CH2 3.82Å; F106-W124 AromaticContact CZ-CZ2 3.86Å; F106-W124 HydrophobicContact CZ-CZ2 3.86Å; F106-W124 AromaticContact CZ-CZ3 3.68Å; F106-W124 HydrophobicContact CZ-CZ3 3.68Å
107M97.9Very high92.5Very high1 Ų136.9 Ų36.91%0.00520%0.204CC..Hα-helixtrans-64.3-42.4179.3-68.5-51.8-67.700111.8L103 I104 C110 K111 Y127 L128 L131 W213 A214 T217 V218 L272L103-M107 WeakPolarHBondContact O-CG 3.29Å; L103-M107 PolarHBondContact O-N 3.26Å; I104-M107 PolarHBondContact O-N 2.84Å; M107-C110 PolarHBondContact O-N 3.32Å; M107-K111 WeakPolarHBondContact O-CB 3.27Å; M107-K111 PolarHBondContact O-N 3.14Å; M107-Y127 HydrophobicContact CE-CD1 4.48Å; M107-Y127 HydrophobicContact CE-CE1 3.98Å; M107-Y127 HydrophobicContact SD-CE1 4.43Å; M107-L128 HydrophobicContact CE-CD2 3.65Å; M107-L131 HydrophobicContact CE-CD1 3.64Å; M107-W213 HydrophobicContact CE-CH2 4.03Å; M107-W213 HydrophobicContact CE-CZ3 4.37Å; M107-A214 HydrophobicContact CB-CB 4.03Å; M107-T217 HydrophobicContact CE-CG2 3.92Å; M107-V218 HydrophobicContact CG-CG2 4.1Å; M107-L272 HydrophobicContact CG-CD1 3.56Å; M107-L272 HydrophobicContact SD-CD1 3.69Å
108Y96.4Very high92.4Very high19 Ų1936.9 Ų36.98%0.07520%0.204CC..Hα-helixtrans-61.3-45.5176.2-179.2-119.1000111.6I104 C110 K111 C112 W182 F189 P208 E210 F211 A214I104-Y108 VanDerWaalsContact O-CB 3.23Å; I104-Y108 WeakPolarHBondContact O-CB 3.27Å; I104-Y108 PolarHBondContact O-N 2.94Å; Y108-C110 PolarHBondContact O-N 2.84Å; Y108-K111 PolarHBondContact O-N 3.34Å; Y108-C112 HydrophobicContact CE2-CB 4.33Å; Y108-C112 WeakPolarHBondContact CE2-SG 3.21Å; Y108-C112 WeakPolarHBondContact O-CB 3.49Å; Y108-C112 PolarHBondContact O-N 3.37Å; Y108-W182 HydrophobicContact CE1-CZ3 4.27Å; Y108-F189 HydrophobicContact CD1-CD1 4.34Å; Y108-F189 AromaticContact CD1-CD2 3.83Å; Y108-F189 HydrophobicContact CD1-CD2 3.83Å; Y108-F189 HydrophobicContact CD1-CE1 4.2Å; Y108-F189 AromaticContact CD1-CE2 3.68Å; Y108-F189 HydrophobicContact CD1-CE2 3.68Å; Y108-F189 HydrophobicContact CD1-CG 4.17Å; Y108-F189 AromaticContact CD1-CZ 3.87Å; Y108-F189 HydrophobicContact CD1-CZ 3.87Å; Y108-F189 HydrophobicContact CE1-CB 4.32Å; Y108-F189 HydrophobicContact CE1-CD1 4.21Å; Y108-F189 AromaticContact CE1-CD2 3.81Å; Y108-F189 HydrophobicContact CE1-CD2 3.81Å; Y108-F189 HydrophobicContact CE1-CE2 4.16Å; Y108-F189 AromaticContact CE1-CG 3.84Å; Y108-F189 HydrophobicContact CE1-CG 3.84Å; Y108-F189 HydrophobicContact CE1-CZ 4.5Å; Y108-P208 HydrophobicContact CE2-CG 4.37Å; Y108-P208 WeakPolarHBondContact OH-CG 3.25Å; Y108-E210 HydrophobicContact CD2-CB 4.35Å; Y108-E210 HydrophobicContact CE2-CB 3.97Å; Y108-F211 HydrophobicContact CD1-CD2 4.1Å; Y108-F211 VanDerWaalsContact CD2-CA 3.44Å; Y108-F211 HydrophobicContact CD2-CB 3.8Å; Y108-F211 HydrophobicContact CD2-CD2 4.11Å; Y108-F211 HydrophobicContact CD2-CG 4.45Å; Y108-F211 HydrophobicContact CE1-CD2 4.41Å; Y108-F211 HydrophobicContact CE2-CB 3.63Å; Y108-F211 HydrophobicContact CE2-CD2 4.41Å; Y108-F211 HydrophobicContact CG-CB 4.47Å; Y108-F211 AromaticContact CG-CD2 3.94Å; Y108-F211 HydrophobicContact CG-CD2 3.94Å; Y108-A214 HydrophobicContact CD2-CB 4.5Å
109H94.9Very high92.2Very high7 Ų733.5 Ų33.53%0.03219%0.186CC..Hα-helixtrans-59.2-48.6175.5178.764.3000111.9L81 C84 C86 F87 A105 F106 K111 C112 S113 C118 F189L81-H109 HydrophobicContact CD2-CB 3.92Å; C84-H109 PolarHBondContact SG-NE2 3.34Å; C86-H109 VanDerWaalsContact CB-CE1 3.45Å; C86-H109 WeakPolarHBondContact CB-CE1 3.47Å; F87-H109 AromaticContact CE2-CE1 3.72Å; F87-H109 AromaticContact CE2-ND1 3.8Å; F87-H109 AromaticContact CE2-NE2 3.98Å; F87-H109 AromaticContact CZ-CE1 3.73Å; F87-H109 AromaticContact CZ-CG 3.89Å; F87-H109 AromaticContact CZ-ND1 3.41Å; F87-H109 WeakPolarHBondContact CZ-ND1 3.19Å; A105-H109 VanDerWaalsContact O-CB 3.26Å; A105-H109 WeakPolarHBondContact O-CB 3.29Å; A105-H109 PolarHBondContact O-N 3.43Å; F106-H109 PolarHBondContact O-N 3.07Å; H109-K111 VanDerWaalsContact C-N 3.27Å; H109-K111 PolarHBondContact O-N 3.09Å; H109-C112 PolarHBondContact O-N 3.3Å; H109-S113 WeakPolarHBondContact O-CB 3.44Å; H109-S113 PolarHBondContact O-N 3.24Å; H109-C118 PolarHBondContact NE2-SG 2.79Å; H109-F189 HydrophobicContact CB-CE1 3.87Å; H109-F189 HydrophobicContact CB-CZ 3.96Å; H109-F189 AromaticContact ND1-CE1 3.88Å
110C94.9Very high92.1Very high1 Ų131.9 Ų31.91%0.00718%0.175CC..Hα-helixtrans-62.9-35.4-178.7-66.20000112F106 M107 Y108 R121 L128F106-C110 PolarHBondContact O-N 2.81Å; F106-C110 PolarHBondContact O-SG 2.85Å; M107-C110 PolarHBondContact O-N 3.32Å; Y108-C110 PolarHBondContact O-N 2.84Å; C110-R121 WeakPolarHBondContact O-CG 3.43Å; C110-L128 HydrophobicContact CB-CD1 3.94Å; C110-L128 HydrophobicContact CB-CD2 4.37Å
111K93.1Very high92Very high71 Ų7134.1 Ų34.131%0.30918%0.178SC..Hα-helixtrans-71.2-48176.3-172.371.7171.2-163.90112.8M107 Y108 H109 W213M107-K111 WeakPolarHBondContact O-CB 3.27Å; M107-K111 PolarHBondContact O-N 3.14Å; Y108-K111 PolarHBondContact O-N 3.34Å; H109-K111 VanDerWaalsContact C-N 3.27Å; H109-K111 PolarHBondContact O-N 3.09Å; K111-W213 HydrophobicContact CB-CE3 4.02Å; K111-W213 HydrophobicContact CB-CZ3 3.77Å; K111-W213 HydrophobicContact CD-CD2 4.23Å; K111-W213 HydrophobicContact CD-CE3 3.88Å; K111-W213 HydrophobicContact CD-CH2 4.04Å; K111-W213 HydrophobicContact CD-CZ2 4.32Å; K111-W213 HydrophobicContact CD-CZ3 3.79Å; K111-W213 HydrophobicContact CG-CD2 4.46Å; K111-W213 HydrophobicContact CG-CE3 3.79Å; K111-W213 HydrophobicContact CG-CZ3 3.91Å
112C90.5Very high91.7Very high41 Ų4139.1 Ų39.128%0.27720%0.2SC..Hα-helixtrans-94.1-14.4-167.2-64.90000114.8Y108 H109 T114 E210Y108-C112 HydrophobicContact CE2-CB 4.33Å; Y108-C112 WeakPolarHBondContact CE2-SG 3.21Å; Y108-C112 WeakPolarHBondContact O-CB 3.49Å; Y108-C112 PolarHBondContact O-N 3.37Å; H109-C112 PolarHBondContact O-N 3.3Å; C112-T114 PolarHBondContact O-N 2.75Å; C112-E210 WeakPolarHBondContact SG-CB 3.4Å
113S88.8Confident91.4Very high12 Ų1239.7 Ų39.78%0.08420%0.203CC..  trans-62.8114.6-175.4-175.30000111.8C86 H109 C118 R121C86-S113 PolarHBondContact SG-OG 3.11Å; C86-S113 VanDerWaalsContact SG-OG 3.39Å; H109-S113 WeakPolarHBondContact O-CB 3.44Å; H109-S113 PolarHBondContact O-N 3.24Å; S113-C118 WeakPolarHBondContact OG-CB 3.49Å; S113-C118 PolarHBondContact OG-SG 2.88Å; S113-R121 WeakPolarHBondContact O-CD 3.36Å; S113-R121 PolarHBondContact O-NH1 2.75Å
114T83.6Confident91.3Very high127 Ų12739.7 Ų39.778%0.77920%0.203SC*.  trans-88.4-9.1176.255.60000112.7C112 T116C112-T114 PolarHBondContact O-N 2.75Å; T114-T116 PolarHBondContact O-N 3.33Å
115S84.8Confident91Very high43 Ų4341.6 Ų41.630%0.30122%0.219SC..  trans-66.6124.3-178.8177.50000111K117 C118S115-K117 PolarHBondContact O-N 3.04Å; S115-K117 VanDerWaalsContact O-N 3.15Å; S115-K117 PolarHBondContact OG-N 3.46Å; S115-C118 VanDerWaalsContact O-CB 3.27Å; S115-C118 WeakPolarHBondContact O-CB 3.38Å; S115-C118 PolarHBondContact O-N 3.32Å
116T83.1Confident90.9Very high119 Ų11942.6 Ų42.673%0.7323%0.226SC*.THydrogen-bonded Turntrans-64.2-15.6171.856.20000112.8T114 K122T114-T116 PolarHBondContact O-N 3.33Å; T116-K122 WeakPolarHBondContact O-CE 3.4Å; T116-K122 PolarHBondContact O-NZ 3.46Å
117K81.9Confident90.8Very high149 Ų14942.6 Ų42.665%0.64823%0.226SC*.THydrogen-bonded Turntrans-91-4.5174.7-58.9-176.3179.4-177.70113.4S115 I119S115-K117 PolarHBondContact O-N 3.04Å; S115-K117 VanDerWaalsContact O-N 3.15Å; S115-K117 PolarHBondContact OG-N 3.46Å; K117-I119 PolarHBondContact O-N 3.02Å
118C89.3Confident90.7Very high1 Ų143.7 Ų43.71%0.00723%0.231CC..  trans-66.8110.9-179.5-1750000110.5C86 H109 S113 S115 R121 K122C86-C118 VanDerWaalsContact SG-CB 3.54Å; H109-C118 PolarHBondContact NE2-SG 2.79Å; S113-C118 WeakPolarHBondContact OG-CB 3.49Å; S113-C118 PolarHBondContact OG-SG 2.88Å; S115-C118 VanDerWaalsContact O-CB 3.27Å; S115-C118 WeakPolarHBondContact O-CB 3.38Å; S115-C118 PolarHBondContact O-N 3.32Å; C118-R121 HydrophobicContact CB-CB 4.11Å; C118-R121 VanDerWaalsContact SG-CB 3.57Å; C118-R121 PolarHBondContact SG-N 2.83Å; C118-R121 VanDerWaalsContact SG-N 3.39Å; C118-K122 WeakPolarHBondContact O-CG 3.34Å
119I88Confident90.6Very high2 Ų245.3 Ų45.31%0.0125%0.245CC..Hα-helixtrans-75.8-42.8-178-58.4171000110.1P85 K117 R121 K122 I123 L246 L249 F251P85-I119 HydrophobicContact CG-CD1 3.84Å; P85-I119 HydrophobicContact CG-CG1 4.34Å; K117-I119 PolarHBondContact O-N 3.02Å; I119-R121 PolarHBondContact O-N 2.68Å; I119-K122 WeakPolarHBondContact O-CB 3.42Å; I119-K122 PolarHBondContact O-N 3.44Å; I119-K122 VanDerWaalsContact O-N 3.11Å; I119-I123 HydrophobicContact CG2-CD1 3.69Å; I119-I123 HydrophobicContact CG2-CG1 4.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.15Å; I119-I123 PolarHBondContact O-N 2.87Å; I119-L246 HydrophobicContact CG2-CD1 3.81Å; I119-L246 HydrophobicContact CG2-CD2 4.15Å; I119-L249 HydrophobicContact CD1-CB 3.97Å; I119-L249 HydrophobicContact CG1-CB 4.23Å; I119-L249 HydrophobicContact CG1-CD1 4.34Å; I119-L249 HydrophobicContact CG1-CD2 4.36Å; I119-L249 HydrophobicContact CG2-CD1 4.08Å; I119-F251 HydrophobicContact CB-CE1 4.2Å; I119-F251 HydrophobicContact CB-CE2 4.48Å; I119-F251 HydrophobicContact CB-CZ 4.01Å; I119-F251 HydrophobicContact CD1-CD1 3.93Å; I119-F251 HydrophobicContact CD1-CD2 3.61Å; I119-F251 HydrophobicContact CD1-CE1 4Å; I119-F251 HydrophobicContact CD1-CE2 3.68Å; I119-F251 HydrophobicContact CD1-CG 3.75Å; I119-F251 HydrophobicContact CD1-CZ 3.9Å; I119-F251 HydrophobicContact CG2-CE1 3.99Å; I119-F251 HydrophobicContact CG2-CE2 3.74Å; I119-F251 HydrophobicContact CG2-CZ 3.32Å
120L92Very high90.5Very high0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-59.2-48.4-179.2-52.9-176.2000111.8L80 L81 C84 F106 K122 I123 W124L80-L120 HydrophobicContact CB-CD1 4.31Å; L80-L120 HydrophobicContact CB-CD2 3.89Å; L80-L120 HydrophobicContact CD2-CD2 3.88Å; L80-L120 HydrophobicContact CG-CD2 4.4Å; L81-L120 HydrophobicContact CD2-CD1 4.19Å; C84-L120 HydrophobicContact CB-CD1 3.71Å; C84-L120 HydrophobicContact CB-CG 3.99Å; F106-L120 HydrophobicContact CD2-CD1 4.34Å; F106-L120 HydrophobicContact CE2-CD1 3.97Å; F106-L120 HydrophobicContact CE2-CD2 4.44Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 2.93Å; L120-I123 PolarHBondContact O-N 3.35Å; L120-W124 HydrophobicContact CB-CE3 4.3Å; L120-W124 HydrophobicContact CB-CZ3 4.26Å; L120-W124 HydrophobicContact CD2-CH2 4.49Å; L120-W124 HydrophobicContact CD2-CZ3 3.72Å; L120-W124 VanDerWaalsContact O-CE3 3.31Å; L120-W124 PolarHBondContact O-N 2.99Å
121R91.5Very high90.4Very high113 Ų11345.8 Ų45.843%0.42625%0.248SC..Hα-helixtrans-56.5-39.8176.2176.7174.6171-149-4.3112.5C110 S113 C118 I119 A125C110-R121 WeakPolarHBondContact O-CG 3.43Å; S113-R121 WeakPolarHBondContact O-CD 3.36Å; S113-R121 PolarHBondContact O-NH1 2.75Å; C118-R121 HydrophobicContact CB-CB 4.11Å; C118-R121 VanDerWaalsContact SG-CB 3.57Å; C118-R121 PolarHBondContact SG-N 2.83Å; C118-R121 VanDerWaalsContact SG-N 3.39Å; I119-R121 PolarHBondContact O-N 2.68Å; R121-A125 WeakPolarHBondContact O-CA 3.33Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.47Å; R121-A125 PolarHBondContact O-N 2.92Å
122K89.4Confident90.3Very high109 Ų10944 Ų4447%0.47424%0.244SC..Hα-helixtrans-67.1-45.1-179.9-71.8177.3-174.9176.40111.8T116 C118 I119 L120T116-K122 WeakPolarHBondContact O-CE 3.4Å; T116-K122 PolarHBondContact O-NZ 3.46Å; C118-K122 WeakPolarHBondContact O-CG 3.34Å; I119-K122 WeakPolarHBondContact O-CB 3.42Å; I119-K122 PolarHBondContact O-N 3.44Å; I119-K122 VanDerWaalsContact O-N 3.11Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 2.93Å
123I90.7Very high90.2Very high12 Ų1247.4 Ų47.46%0.06226%0.256CS..Hα-helixtrans-60.2-54-179.9-70.6166.7000110.9W18 H69 I119 L120 A125 P126 L241 L246W18-I123 PolarHBondContact NE1-O 3.09Å; H69-I123 WeakPolarHBondContact CD2-CG2 3.05Å; H69-I123 WeakPolarHBondContact NE2-CG2 3.33Å; I119-I123 HydrophobicContact CG2-CD1 3.69Å; I119-I123 HydrophobicContact CG2-CG1 4.23Å; I119-I123 WeakPolarHBondContact O-CG1 3.15Å; I119-I123 PolarHBondContact O-N 2.87Å; L120-I123 PolarHBondContact O-N 3.35Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.47Å; I123-P126 WeakPolarHBondContact O-CD 3.21Å; I123-L241 HydrophobicContact CD1-CD2 4.21Å; I123-L246 HydrophobicContact CD1-CD1 3.57Å; I123-L246 HydrophobicContact CD1-CD2 4.22Å; I123-L246 HydrophobicContact CG1-CD1 4.18Å; I123-L246 HydrophobicContact CG1-CD2 3.91Å
124W93.9Very high90.2Very high2 Ų248.9 Ų48.91%0.00826%0.264CS..Hα-helixtrans-89.75.4-173.5-75.9-86.6000113.3W18 H69 L72 L80 F106 L120 P126 Y127 L128W18-W124 AromaticContact CH2-CD1 3.89Å; W18-W124 AromaticContact CZ2-CD1 3.82Å; W18-W124 HydrophobicContact CZ2-CG 4.42Å; H69-W124 HydrophobicContact CB-CZ2 4.35Å; H69-W124 AromaticContact CD2-CH2 3.64Å; H69-W124 AromaticContact CD2-CZ2 3.52Å; H69-W124 PolarHBondContact O-NE1 2.94Å; L72-W124 HydrophobicContact CD2-CH2 4.43Å; L72-W124 HydrophobicContact CD2-CZ2 3.43Å; L72-W124 VanDerWaalsContact CD2-CZ2 3.43Å; L80-W124 HydrophobicContact CD1-CH2 3.41Å; L80-W124 VanDerWaalsContact CD1-CH2 3.41Å; L80-W124 HydrophobicContact CD1-CZ2 3.97Å; L80-W124 HydrophobicContact CD1-CZ3 4.26Å; L80-W124 HydrophobicContact CD2-CH2 4.07Å; L80-W124 HydrophobicContact CG-CH2 4.35Å; F106-W124 HydrophobicContact CE1-CD2 4.15Å; F106-W124 HydrophobicContact CE1-CE3 4.39Å; F106-W124 HydrophobicContact CE2-CE3 4.44Å; F106-W124 HydrophobicContact CE2-CH2 4.34Å; F106-W124 HydrophobicContact CE2-CZ3 4.2Å; F106-W124 AromaticContact CZ-CD2 3.71Å; F106-W124 HydrophobicContact CZ-CD2 3.71Å; F106-W124 AromaticContact CZ-CE2 3.84Å; F106-W124 AromaticContact CZ-CE3 3.58Å; F106-W124 HydrophobicContact CZ-CE3 3.58Å; F106-W124 HydrophobicContact CZ-CG 4.49Å; F106-W124 AromaticContact CZ-CH2 3.82Å; F106-W124 HydrophobicContact CZ-CH2 3.82Å; F106-W124 AromaticContact CZ-CZ2 3.86Å; F106-W124 HydrophobicContact CZ-CZ2 3.86Å; F106-W124 AromaticContact CZ-CZ3 3.68Å; F106-W124 HydrophobicContact CZ-CZ3 3.68Å; L120-W124 HydrophobicContact CB-CE3 4.3Å; L120-W124 HydrophobicContact CB-CZ3 4.26Å; L120-W124 HydrophobicContact CD2-CH2 4.49Å; L120-W124 HydrophobicContact CD2-CZ3 3.72Å; L120-W124 VanDerWaalsContact O-CE3 3.31Å; L120-W124 PolarHBondContact O-N 2.99Å; W124-P126 VanDerWaalsContact C-CD 3.48Å; W124-P126 VanDerWaalsContact C-N 3.33Å; W124-Y127 PolarHBondContact O-N 2.85Å; W124-L128 WeakPolarHBondContact O-CG 3.37Å; W124-L128 PolarHBondContact O-N 3.49Å
125A93.2Very high90.6Very high44 Ų4444 Ų4436%0.36423%0.231SC..Hα-helixtrans-51.6-42.8177.500000113.7R121 I123 Y127 L128 S129R121-A125 WeakPolarHBondContact O-CA 3.33Å; R121-A125 VanDerWaalsContact O-CB 3.29Å; R121-A125 WeakPolarHBondContact O-CB 3.47Å; R121-A125 PolarHBondContact O-N 2.92Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.47Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 3.42Å; A125-L128 PolarHBondContact O-N 3.36Å; A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 3.15Å
126P94.1Very high90.9Very high21 Ų2143.8 Ų43.814%0.13623%0.227CC..Hα-helixtrans-65.3-33.9176.5-23.737000113.4W18 I123 W124 S129W18-P126 HydrophobicContact CB-CB 3.66Å; W18-P126 HydrophobicContact CB-CG 3.82Å; W18-P126 HydrophobicContact CD2-CB 4.31Å; W18-P126 HydrophobicContact CG-CB 3.82Å; W18-P126 HydrophobicContact CG-CG 3.78Å; I123-P126 WeakPolarHBondContact O-CD 3.21Å; W124-P126 VanDerWaalsContact C-CD 3.48Å; W124-P126 VanDerWaalsContact C-N 3.33Å; P126-S129 PolarHBondContact O-OG 3.32Å
127Y95.6Very high91.4Very high1 Ų138.5 Ų38.50%0.00419%0.194CC..Hα-helixtrans-71.2-44.8174.2175.1-131.2000111.3F15 L72 M107 W124 A125 S129 V130 L131 P274 D277F15-Y127 AromaticContact CE2-CD2 3.85Å; F15-Y127 HydrophobicContact CE2-CD2 3.85Å; F15-Y127 HydrophobicContact CE2-CG 4.36Å; F15-Y127 HydrophobicContact CZ-CD2 4.18Å; L72-Y127 HydrophobicContact CD1-CE1 4.47Å; M107-Y127 HydrophobicContact CE-CD1 4.48Å; M107-Y127 HydrophobicContact CE-CE1 3.98Å; M107-Y127 HydrophobicContact SD-CE1 4.43Å; W124-Y127 PolarHBondContact O-N 2.85Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 3.42Å; Y127-S129 PolarHBondContact O-N 2.85Å; Y127-V130 HydrophobicContact CD2-CG2 4.32Å; Y127-V130 WeakPolarHBondContact O-CG2 3.34Å; Y127-V130 PolarHBondContact O-N 3.26Å; Y127-L131 HydrophobicContact CD1-CD1 4.42Å; Y127-L131 HydrophobicContact CD2-CG 4.35Å; Y127-L131 HydrophobicContact CE1-CD1 4.02Å; Y127-L131 HydrophobicContact CE2-CD1 4.25Å; Y127-L131 HydrophobicContact CE2-CD2 3.77Å; Y127-L131 HydrophobicContact CE2-CG 3.98Å; Y127-L131 PolarHBondContact O-N 3.06Å; Y127-P274 HydrophobicContact CD1-CG 3.98Å; Y127-P274 HydrophobicContact CD2-CB 3.76Å; Y127-P274 HydrophobicContact CD2-CG 4.04Å; Y127-P274 HydrophobicContact CE1-CG 4.05Å; Y127-P274 HydrophobicContact CE2-CB 3.94Å; Y127-P274 HydrophobicContact CE2-CG 4.12Å; Y127-P274 HydrophobicContact CG-CB 4.1Å; Y127-P274 HydrophobicContact CG-CG 3.96Å; Y127-D277 PolarHBondContact OH-OD2 3.27Å
128L95Very high92Very high23 Ų2331.6 Ų31.612%0.1216%0.164CC..Hα-helixtrans-60.3-30.4177.3-64.1172000113M107 C110 W124 A125 V130 L131 W213M107-L128 HydrophobicContact CE-CD2 3.65Å; C110-L128 HydrophobicContact CB-CD1 3.94Å; C110-L128 HydrophobicContact CB-CD2 4.37Å; W124-L128 WeakPolarHBondContact O-CG 3.37Å; W124-L128 PolarHBondContact O-N 3.49Å; A125-L128 PolarHBondContact O-N 3.36Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-L131 HydrophobicContact CD2-CD1 4.45Å; L128-W213 HydrophobicContact CD2-CH2 3.73Å; L128-W213 HydrophobicContact CD2-CZ3 4.32Å
129S93.9Very high92.3Very high54 Ų5431.6 Ų31.638%0.37816%0.164SC..THydrogen-bonded Turntrans-77.7-15.8-178.173.80000113.9A125 P126 Y127A125-S129 WeakPolarHBondContact O-CB 3.36Å; A125-S129 PolarHBondContact O-N 3.15Å; P126-S129 PolarHBondContact O-OG 3.32Å; Y127-S129 PolarHBondContact O-N 2.85Å
130V93.5Very high92.6Very high5 Ų531.6 Ų31.63%0.0317%0.165CC..THydrogen-bonded Turntrans-103.6-10.6178.1-62.40000113.7L12 F15 R46 Y127 L128 F278L12-V130 HydrophobicContact CD2-CB 4.5Å; L12-V130 HydrophobicContact CD2-CG1 3.99Å; F15-V130 HydrophobicContact CB-CG1 3.55Å; F15-V130 HydrophobicContact CB-CG2 4.28Å; F15-V130 HydrophobicContact CD1-CB 4.42Å; F15-V130 HydrophobicContact CD1-CG1 4.11Å; F15-V130 HydrophobicContact CD1-CG2 3.8Å; F15-V130 HydrophobicContact CD2-CG2 3.84Å; F15-V130 HydrophobicContact CE1-CG2 3.98Å; F15-V130 HydrophobicContact CE2-CG2 4.04Å; F15-V130 HydrophobicContact CG-CB 4.4Å; F15-V130 HydrophobicContact CG-CG1 3.88Å; F15-V130 HydrophobicContact CG-CG2 3.7Å; F15-V130 HydrophobicContact CZ-CG2 4.11Å; R46-V130 PolarHBondContact NH1-O 3.44Å; Y127-V130 HydrophobicContact CD2-CG2 4.32Å; Y127-V130 WeakPolarHBondContact O-CG2 3.34Å; Y127-V130 PolarHBondContact O-N 3.26Å; L128-V130 VanDerWaalsContact C-N 3.32Å; V130-F278 HydrophobicContact CB-CZ 4.02Å; V130-F278 HydrophobicContact CG2-CE2 4.33Å; V130-F278 HydrophobicContact CG2-CZ 3.74Å
131L93.5Very high92.7Very high12 Ų1231.6 Ų31.66%0.06317%0.165CC..SBendtrans-69.8156.7172.1-73175000111.7M107 Y127 L128 E133 W213 T217 D277M107-L131 HydrophobicContact CE-CD1 3.64Å; Y127-L131 HydrophobicContact CD1-CD1 4.42Å; Y127-L131 HydrophobicContact CD2-CG 4.35Å; Y127-L131 HydrophobicContact CE1-CD1 4.02Å; Y127-L131 HydrophobicContact CE2-CD1 4.25Å; Y127-L131 HydrophobicContact CE2-CD2 3.77Å; Y127-L131 HydrophobicContact CE2-CG 3.98Å; Y127-L131 PolarHBondContact O-N 3.06Å; L128-L131 HydrophobicContact CD2-CD1 4.45Å; L131-E133 PolarHBondContact O-N 3.3Å; L131-W213 HydrophobicContact CB-CZ2 4.04Å; L131-W213 HydrophobicContact CD1-CH2 3.88Å; L131-W213 HydrophobicContact CD1-CZ2 3.94Å; L131-T217 HydrophobicContact CD1-CG2 3.85Å; L131-T217 HydrophobicContact CD2-CG2 4.44Å; L131-D277 WeakPolarHBondContact CD2-OD2 3.11Å
132P90.4Very high92.7Very high33 Ų3326.2 Ų26.221%0.21414%0.144CC..  trans-55.1137.3172.4-22.933.4000110.5Y135 W213 R221P132-Y135 HydrophobicContact CB-CE1 4.44Å; P132-Y135 HydrophobicContact CB-CE2 4.36Å; P132-Y135 HydrophobicContact CG-CE1 4.22Å; P132-W213 PolarHBondContact O-NE1 3.18Å; P132-R221 VanDerWaalsContact CG-NH2 3.27Å
133E88.2Confident92.8Very high113 Ų11321.8 Ų21.853%0.52813%0.126SC..SBendtrans-78-33.6-179.9-176.3161.1-161.700112.8L131 S544L131-E133 PolarHBondContact O-N 3.3Å; E133-S544 WeakPolarHBondContact OE1-CB 3.43Å; E133-S544 PolarHBondContact OE1-OG 3.43Å; E133-S544 WeakPolarHBondContact OE2-CB 3.35Å; E133-S544 PolarHBondContact OE2-OG 3.12Å
134V88.6Confident92.8Very high43 Ų4322.7 Ų22.726%0.26113%0.13SC..SBendtrans-135.4145.6174.469.30000108.4L136 L144 L542V134-L136 HydrophobicContact CG1-CD2 4.12Å; V134-L136 HydrophobicContact CG1-CG 4.23Å; V134-L136 HydrophobicContact CG2-CD2 4.27Å; V134-L144 HydrophobicContact CG2-CD1 3.78Å; V134-L542 HydrophobicContact CB-CD2 3.95Å; V134-L542 HydrophobicContact CG1-CD2 3.77Å; V134-L542 HydrophobicContact CG2-CD1 4.49Å; V134-L542 HydrophobicContact CG2-CD2 3.94Å
135Y91.9Very high92.5Very high24 Ų2422.8 Ų22.89%0.09413%0.131CC..  trans-97.6137.7168-70.1-93.6000108.2P132 D137 S140 W213 C216 T217 S220 R221P132-Y135 HydrophobicContact CB-CE1 4.44Å; P132-Y135 HydrophobicContact CB-CE2 4.36Å; P132-Y135 HydrophobicContact CG-CE1 4.22Å; Y135-D137 WeakPolarHBondContact CB-OD2 3.36Å; Y135-S140 WeakPolarHBondContact O-CB 3.26Å; Y135-W213 AromaticContact CD2-CD1 3.97Å; Y135-W213 AromaticContact CE2-CD1 3.87Å; Y135-W213 HydrophobicContact CE2-CG 4.5Å; Y135-W213 AromaticContact CE2-NE1 3.88Å; Y135-C216 HydrophobicContact CD1-CB 3.86Å; Y135-C216 HydrophobicContact CD2-CB 3.53Å; Y135-C216 HydrophobicContact CE1-CB 4.29Å; Y135-C216 HydrophobicContact CE2-CB 4.03Å; Y135-C216 HydrophobicContact CG-CB 3.45Å; Y135-C216 VanDerWaalsContact CG-CB 3.45Å; Y135-T217 WeakPolarHBondContact CE2-OG1 3.47Å; Y135-T217 VanDerWaalsContact OH-CA 3.27Å; Y135-T217 WeakPolarHBondContact OH-CA 3.38Å; Y135-T217 PolarHBondContact OH-OG1 2.99Å; Y135-S220 WeakPolarHBondContact CE1-OG 3.48Å; Y135-R221 PolarHBondContact OH-NE 2.97Å; Y135-R221 VanDerWaalsContact OH-NE 3.11Å
136L90.3Very high92.1Very high39 Ų3922.8 Ų22.820%0.20413%0.127CC..  trans-116.325.4-178.5-61.4176.1000111.1V134 C141 I551 L553 Q556V134-L136 HydrophobicContact CG1-CD2 4.12Å; V134-L136 HydrophobicContact CG1-CG 4.23Å; V134-L136 HydrophobicContact CG2-CD2 4.27Å; L136-C141 PolarHBondContact O-SG 3.22Å; L136-I551 HydrophobicContact CD1-CD1 4.14Å; L136-L553 HydrophobicContact CD2-CD2 3.98Å; L136-Q556 HydrophobicContact CB-CG 4.07Å; L136-Q556 HydrophobicContact CD1-CG 4.23Å
137D93.7Very high91.5Very high9 Ų927.1 Ų27.15%0.04815%0.149CC..SBendtrans-61160.5166.168.585.4000110.2Y135 L139 S140 C141Y135-D137 WeakPolarHBondContact CB-OD2 3.36Å; D137-L139 VanDerWaalsContact C-N 3.33Å; D137-L139 PolarHBondContact O-N 3.22Å; D137-L139 WeakPolarHBondContact OD1-CB 3.49Å; D137-L139 PolarHBondContact OD1-N 3.43Å; D137-S140 PolarHBondContact O-N 3.24Å; D137-S140 PolarHBondContact OD1-N 3.28Å; D137-S140 PolarHBondContact OD1-OG 2.8Å; D137-S140 VanDerWaalsContact OD2-CB 3.23Å; D137-S140 WeakPolarHBondContact OD2-CB 3.41Å; D137-S140 PolarHBondContact OD2-OG 2.84Å; D137-C141 PolarHBondContact O-N 3.09Å; D137-C141 PolarHBondContact O-SG 3.37Å
138P96Very high91.1Very high3 Ų327.3 Ų27.32%0.01915%0.15CC..Hα-helixtrans-50.7-46.8-179.5-34.139.2000114.8S140 C141 I142 L171 L325 T326 F557 F561P138-S140 VanDerWaalsContact C-N 3.34Å; P138-S140 PolarHBondContact O-N 3.14Å; P138-C141 PolarHBondContact O-N 2.89Å; P138-I142 WeakPolarHBondContact O-CD1 3.49Å; P138-I142 WeakPolarHBondContact O-CG1 3.44Å; P138-I142 PolarHBondContact O-N 3.32Å; P138-L171 HydrophobicContact CB-CD2 3.88Å; P138-L325 VanDerWaalsContact CD-O 3.26Å; P138-L325 WeakPolarHBondContact CD-O 3.43Å; P138-L325 HydrophobicContact CG-CD1 3.85Å; P138-L325 HydrophobicContact CG-CD2 4.17Å; P138-L325 HydrophobicContact CG-CG 3.72Å; P138-T326 HydrophobicContact CG-CG2 4.29Å; P138-F557 HydrophobicContact CB-CD2 4.31Å; P138-F557 HydrophobicContact CB-CE2 4.05Å; P138-F561 HydrophobicContact CB-CE2 3.85Å; P138-F561 HydrophobicContact CB-CZ 4.27Å; P138-F561 HydrophobicContact CG-CE2 3.86Å; P138-F561 HydrophobicContact CG-CZ 4.2Å
139L95.2Very high90.9Very high1 Ų126.2 Ų26.21%0.00514%0.144CC..Hα-helixtrans-65.9-41.5-177.3-179.863.5000110.5D137 I142 L143 F154 L174 L175 L178D137-L139 VanDerWaalsContact C-N 3.33Å; D137-L139 PolarHBondContact O-N 3.22Å; D137-L139 WeakPolarHBondContact OD1-CB 3.49Å; D137-L139 PolarHBondContact OD1-N 3.43Å; L139-I142 PolarHBondContact O-N 3.31Å; L139-L143 HydrophobicContact CD1-CD1 3.87Å; L139-L143 HydrophobicContact CD1-CG 4.01Å; L139-L143 HydrophobicContact CD2-CD1 4.42Å; L139-L143 HydrophobicContact CG-CD1 3.87Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.46Å; L139-F154 HydrophobicContact CD1-CE2 3.91Å; L139-F154 HydrophobicContact CD1-CZ 4.13Å; L139-L174 HydrophobicContact CD2-CB 4.06Å; L139-L175 HydrophobicContact CD1-CB 4.1Å; L139-L175 HydrophobicContact CD1-CD1 4.27Å; L139-L178 HydrophobicContact CD2-CB 4.45Å; L139-L178 HydrophobicContact CD2-CD2 4.16Å
140S94.1Very high90.7Very high3 Ų324.1 Ų24.12%0.02113%0.128CC..Hα-helixtrans-61.8-44.1175.8-65.80000112.4Y135 D137 P138 I142 L143 L144 C216Y135-S140 WeakPolarHBondContact O-CB 3.26Å; D137-S140 PolarHBondContact O-N 3.24Å; D137-S140 PolarHBondContact OD1-N 3.28Å; D137-S140 PolarHBondContact OD1-OG 2.8Å; D137-S140 VanDerWaalsContact OD2-CB 3.23Å; D137-S140 WeakPolarHBondContact OD2-CB 3.41Å; D137-S140 PolarHBondContact OD2-OG 2.84Å; P138-S140 VanDerWaalsContact C-N 3.34Å; P138-S140 PolarHBondContact O-N 3.14Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 2.88Å; S140-L143 PolarHBondContact O-N 3.38Å; S140-L144 VanDerWaalsContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CB 3.44Å; S140-L144 WeakPolarHBondContact O-CD1 3.2Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.35Å; S140-C216 PolarHBondContact OG-SG 2.77Å; S140-C216 VanDerWaalsContact OG-SG 3.34Å
141C93.4Very high90.4Very high0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-59.1-45.1174.8-66.20000111L136 D137 P138 L144 D145 L149 F557L136-C141 PolarHBondContact O-SG 3.22Å; D137-C141 PolarHBondContact O-N 3.09Å; D137-C141 PolarHBondContact O-SG 3.37Å; P138-C141 PolarHBondContact O-N 2.89Å; C141-L144 PolarHBondContact O-N 2.85Å; C141-D145 WeakPolarHBondContact O-CB 3.04Å; C141-D145 PolarHBondContact O-N 2.8Å; C141-L149 HydrophobicContact CB-CD1 3.97Å; C141-F557 HydrophobicContact CB-CB 4.06Å; C141-F557 HydrophobicContact CB-CD2 4.17Å
142I93Very high90.1Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-61.5-46.6179.9-65.4161000112P138 L139 S140 D145 L149 F150 I153 F154 L171 F557P138-I142 WeakPolarHBondContact O-CD1 3.49Å; P138-I142 WeakPolarHBondContact O-CG1 3.44Å; P138-I142 PolarHBondContact O-N 3.32Å; L139-I142 PolarHBondContact O-N 3.31Å; S140-I142 VanDerWaalsContact C-N 3.31Å; S140-I142 PolarHBondContact O-N 2.88Å; I142-D145 CarbonylContact O-C 3.52Å; I142-D145 PolarHBondContact O-N 2.93Å; I142-L149 HydrophobicContact CB-CB 4.3Å; I142-L149 HydrophobicContact CG1-CB 4.17Å; I142-L149 HydrophobicContact CG2-CB 4.34Å; I142-F150 HydrophobicContact CG2-CB 4.14Å; I142-F150 HydrophobicContact CG2-CD2 4.15Å; I142-I153 HydrophobicContact CD1-CB 4.5Å; I142-I153 HydrophobicContact CD1-CD1 3.79Å; I142-I153 HydrophobicContact CD1-CG2 4Å; I142-I153 HydrophobicContact CG1-CD1 3.66Å; I142-F154 HydrophobicContact CB-CE2 4.31Å; I142-F154 HydrophobicContact CD1-CE2 3.94Å; I142-F154 HydrophobicContact CD1-CZ 4.33Å; I142-F154 HydrophobicContact CG2-CD2 3.58Å; I142-F154 HydrophobicContact CG2-CE2 3.55Å; I142-L171 HydrophobicContact CD1-CD1 4.4Å; I142-L171 HydrophobicContact CD1-CD2 4.37Å; I142-F557 HydrophobicContact CD1-CE2 3.79Å; I142-F557 HydrophobicContact CD1-CZ 4.48Å; I142-F557 HydrophobicContact CG1-CD2 4.18Å; I142-F557 HydrophobicContact CG1-CE2 3.74Å
143L91.8Very high90.1Very high15 Ų1532.5 Ų32.58%0.07916%0.16CC..Hα-helixtrans-77.3-23.8-176-67.9176.6000113.5L139 S140 F150 L175 L178 I206 L212L139-L143 HydrophobicContact CD1-CD1 3.87Å; L139-L143 HydrophobicContact CD1-CG 4.01Å; L139-L143 HydrophobicContact CD2-CD1 4.42Å; L139-L143 HydrophobicContact CG-CD1 3.87Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 3.46Å; S140-L143 PolarHBondContact O-N 3.38Å; L143-F150 HydrophobicContact CD2-CD2 3.79Å; L143-F150 HydrophobicContact CD2-CE2 3.8Å; L143-L175 HydrophobicContact CD1-CD1 4.39Å; L143-L175 HydrophobicContact CD2-CD1 4.08Å; L143-L178 HydrophobicContact CD1-CD2 3.29Å; L143-I206 HydrophobicContact CD2-CD1 4.24Å; L143-I206 HydrophobicContact CD2-CG2 4.08Å; L143-L212 HydrophobicContact CB-CD2 3.91Å; L143-L212 HydrophobicContact CD1-CD1 3.98Å; L143-L212 HydrophobicContact CD1-CD2 4.16Å
144L89.5Confident90.1Very high31 Ų3127.5 Ų27.516%0.16214%0.137CC..Hα-helixtrans-83.8-23.7173.8-66.4172.7000112.4V134 S140 C141 K209 L212 L553V134-L144 HydrophobicContact CG2-CD1 3.78Å; S140-L144 VanDerWaalsContact O-CB 3.27Å; S140-L144 WeakPolarHBondContact O-CB 3.44Å; S140-L144 WeakPolarHBondContact O-CD1 3.2Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.35Å; C141-L144 PolarHBondContact O-N 2.85Å; L144-K209 HydrophobicContact CD2-CB 3.99Å; L144-L212 HydrophobicContact CG-CD2 4.41Å; L144-L553 HydrophobicContact CB-CD1 3.49Å; L144-L553 VanDerWaalsContact CB-CD1 3.49Å
145D88.2Confident89.5Confident4 Ų428.2 Ų28.22%0.02114%0.142CC..  trans-107.881.6173-172-98000111C141 I142 D147 C148 L149 F150 L553C141-D145 WeakPolarHBondContact O-CB 3.04Å; C141-D145 PolarHBondContact O-N 2.8Å; I142-D145 CarbonylContact O-C 3.52Å; I142-D145 PolarHBondContact O-N 2.93Å; D145-D147 VanDerWaalsContact C-N 3.34Å; D145-C148 WeakPolarHBondContact OD1-CA 3.49Å; D145-C148 WeakPolarHBondContact OD1-CB 3.36Å; D145-C148 PolarHBondContact OD1-N 3.02Å; D145-L149 HydrophobicContact CB-CB 4.15Å; D145-L149 HydrophobicContact CB-CD1 4Å; D145-L149 HydrophobicContact CB-CG 4.06Å; D145-L149 PolarHBondContact O-N 3.1Å; D145-L149 PolarHBondContact OD1-N 3.43Å; D145-F150 PolarHBondContact O-N 2.97Å; D145-F150 VanDerWaalsContact O-N 3.09Å; D145-L553 HydrophobicContact CB-CB 4.13Å; D145-L553 HydrophobicContact CB-CD1 4.02Å
146T83.6Confident87.8Confident44 Ų4433.8 Ų33.827%0.2717%0.171SC..Iπ-helixtrans-73.8-28.3-174.955.90000113.2L199T146-L199 HydrophobicContact CG2-CD1 3.31Å
147D81.6Confident86.1Confident112 Ų11239.4 Ų39.460%0.59920%0.202SC*.Iπ-helixtrans-81.8-26-169.7-61.2-16.2000113D145D145-D147 VanDerWaalsContact C-N 3.34Å
148C87.9Confident84.4Confident5 Ų541.6 Ų41.63%0.03422%0.218CC..Iπ-helixtrans-122.1-57.1177.3176.80000112.8D145 R152 L529 C535 V554D145-C148 WeakPolarHBondContact OD1-CA 3.49Å; D145-C148 WeakPolarHBondContact OD1-CB 3.36Å; D145-C148 PolarHBondContact OD1-N 3.02Å; C148-R152 WeakPolarHBondContact O-CB 3.16Å; C148-R152 WeakPolarHBondContact O-CD 3.44Å; C148-R152 WeakPolarHBondContact O-CG 3.48Å; C148-R152 PolarHBondContact O-N 3.36Å; C148-R152 VanDerWaalsContact O-N 3.16Å; C148-R152 PolarHBondContact SG-NE 3.4Å; C148-R152 VanDerWaalsContact SG-NE 3.38Å; C148-L529 VanDerWaalsContact SG-CD1 3.56Å; C148-C535 HydrophobicContact CB-CB 3.84Å; C148-C535 WeakPolarHBondContact CB-SG 3.36Å; C148-C535 WeakPolarHBondContact SG-CB 3.39Å; C148-C535 CovalentContact SG-SG 2.05Å; C148-C535 PolarHBondContact SG-SG 3.39Å; C148-V554 HydrophobicContact CB-CG2 4.47Å
149L90.9Very high83.1Confident0 Ų046.6 Ų46.60%025%0.25CS..Iπ-helixtrans-68.1-51.1-174.2-66.8-177.5000112.1C141 I142 D145 E151 R152 I153 L529 V554 F557C141-L149 HydrophobicContact CB-CD1 3.97Å; I142-L149 HydrophobicContact CB-CB 4.3Å; I142-L149 HydrophobicContact CG1-CB 4.17Å; I142-L149 HydrophobicContact CG2-CB 4.34Å; D145-L149 HydrophobicContact CB-CB 4.15Å; D145-L149 HydrophobicContact CB-CD1 4Å; D145-L149 HydrophobicContact CB-CG 4.06Å; D145-L149 PolarHBondContact O-N 3.1Å; D145-L149 PolarHBondContact OD1-N 3.43Å; L149-E151 PolarHBondContact O-N 3.28Å; L149-R152 PolarHBondContact O-N 2.83Å; L149-I153 HydrophobicContact CB-CD1 4.36Å; L149-I153 HydrophobicContact CD2-CD1 4.3Å; L149-I153 WeakPolarHBondContact O-CB 3.5Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 3.19Å; L149-L529 HydrophobicContact CD2-CD2 3.83Å; L149-V554 HydrophobicContact CD1-CG2 4.43Å; L149-V554 HydrophobicContact CD2-CG2 4.22Å; L149-V554 HydrophobicContact CG-CG2 4.02Å; L149-F557 HydrophobicContact CD1-CB 3.85Å; L149-F557 HydrophobicContact CD1-CD2 4.15Å; L149-F557 HydrophobicContact CD1-CG 3.95Å; L149-F557 HydrophobicContact CD2-CB 4.47Å; L149-F557 HydrophobicContact CD2-CD1 3.84Å; L149-F557 HydrophobicContact CD2-CE1 4.21Å; L149-F557 HydrophobicContact CD2-CG 4.07Å
150F90.3Very high82.6Confident10 Ų1048.5 Ų48.54%0.04426%0.26CS..Iπ-helixtrans-60.4-47.8-179-173.3-93.3000111.9I142 L143 D145 R152 I153 F154 L199 I206I142-F150 HydrophobicContact CG2-CB 4.14Å; I142-F150 HydrophobicContact CG2-CD2 4.15Å; L143-F150 HydrophobicContact CD2-CD2 3.79Å; L143-F150 HydrophobicContact CD2-CE2 3.8Å; D145-F150 PolarHBondContact O-N 2.97Å; D145-F150 VanDerWaalsContact O-N 3.09Å; F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.91Å; F150-I153 PolarHBondContact O-N 3.05Å; F150-F154 HydrophobicContact CD2-CB 4.42Å; F150-F154 AromaticContact CD2-CD2 3.98Å; F150-F154 HydrophobicContact CD2-CD2 3.98Å; F150-F154 HydrophobicContact CE2-CB 4.19Å; F150-F154 HydrophobicContact CE2-CD2 4.1Å; F150-F154 HydrophobicContact CZ-CB 4.39Å; F150-F154 PolarHBondContact O-N 3.32Å; F150-L199 HydrophobicContact CD1-CD2 3.91Å; F150-L199 HydrophobicContact CE1-CD2 3.82Å; F150-I206 HydrophobicContact CE2-CD1 3.86Å; F150-I206 HydrophobicContact CE2-CG1 4.28Å; F150-I206 HydrophobicContact CZ-CD1 3.95Å; F150-I206 HydrophobicContact CZ-CG1 4.19Å
151E85.5Confident82.5Confident117 Ų11749.7 Ų49.755%0.54727%0.265SS..Hα-helixtrans-58.5-40.6178.9-78.7-160.6169.300112.3L149 T155L149-E151 PolarHBondContact O-N 3.28Å; E151-T155 HydrophobicContact CB-CG2 4.27Å; E151-T155 HydrophobicContact CG-CG2 4.4Å; E151-T155 WeakPolarHBondContact O-CB 3.44Å; E151-T155 WeakPolarHBondContact O-CG2 3.37Å; E151-T155 PolarHBondContact O-OG1 3.48Å
152R88.6Confident82.5Confident95 Ų9549.8 Ų49.836%0.35827%0.265SS..Hα-helixtrans-77-35-177.6-71.7174.6-176.8-74.2-5.1113.8C148 L149 F150 Y161 N532C148-R152 WeakPolarHBondContact O-CB 3.16Å; C148-R152 WeakPolarHBondContact O-CD 3.44Å; C148-R152 WeakPolarHBondContact O-CG 3.48Å; C148-R152 PolarHBondContact O-N 3.36Å; C148-R152 VanDerWaalsContact O-N 3.16Å; C148-R152 PolarHBondContact SG-NE 3.4Å; C148-R152 VanDerWaalsContact SG-NE 3.38Å; L149-R152 PolarHBondContact O-N 2.83Å; F150-R152 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.91Å; R152-Y161 HydrophobicContact CB-CD2 4.27Å; R152-Y161 HydrophobicContact CB-CE2 4.29Å; R152-N532 PolarHBondContact NH2-ND2 3.3Å
153I91Very high82.5Confident14 Ų1453.3 Ų53.37%0.07228%0.281CS..Hα-helixtrans-94.7-33.8-168.8-66.3163.4000111.9I142 L149 F150 Y161 L171 F557I142-I153 HydrophobicContact CD1-CB 4.5Å; I142-I153 HydrophobicContact CD1-CD1 3.79Å; I142-I153 HydrophobicContact CD1-CG2 4Å; I142-I153 HydrophobicContact CG1-CD1 3.66Å; L149-I153 HydrophobicContact CB-CD1 4.36Å; L149-I153 HydrophobicContact CD2-CD1 4.3Å; L149-I153 WeakPolarHBondContact O-CB 3.5Å; L149-I153 WeakPolarHBondContact O-CG1 3.26Å; L149-I153 PolarHBondContact O-N 3.19Å; F150-I153 PolarHBondContact O-N 3.05Å; I153-Y161 HydrophobicContact CG1-CD1 4.17Å; I153-Y161 HydrophobicContact CG1-CG 4.1Å; I153-L171 HydrophobicContact CG2-CD1 4.29Å; I153-F557 HydrophobicContact CD1-CE1 3.97Å; I153-F557 HydrophobicContact CD1-CE2 3.92Å; I153-F557 HydrophobicContact CD1-CZ 3.4Å
154F87.9Confident82.7Confident9 Ų952.7 Ų52.74%0.03928%0.278CS..Hα-helixtrans-121.7-0.1-170.7-68.8-52.2000116.1L139 I142 F150 L171 K172 L175 Y201L139-F154 HydrophobicContact CD1-CE2 3.91Å; L139-F154 HydrophobicContact CD1-CZ 4.13Å; I142-F154 HydrophobicContact CB-CE2 4.31Å; I142-F154 HydrophobicContact CD1-CE2 3.94Å; I142-F154 HydrophobicContact CD1-CZ 4.33Å; I142-F154 HydrophobicContact CG2-CD2 3.58Å; I142-F154 HydrophobicContact CG2-CE2 3.55Å; F150-F154 HydrophobicContact CD2-CB 4.42Å; F150-F154 AromaticContact CD2-CD2 3.98Å; F150-F154 HydrophobicContact CD2-CD2 3.98Å; F150-F154 HydrophobicContact CE2-CB 4.19Å; F150-F154 HydrophobicContact CE2-CD2 4.1Å; F150-F154 HydrophobicContact CZ-CB 4.39Å; F150-F154 PolarHBondContact O-N 3.32Å; F154-L171 HydrophobicContact CE1-CB 4.2Å; F154-L171 HydrophobicContact CZ-CB 4.04Å; F154-K172 HydrophobicContact CD1-CG 4.39Å; F154-K172 HydrophobicContact CE1-CG 4.1Å; F154-L175 HydrophobicContact CB-CD2 4.24Å; F154-L175 HydrophobicContact CD1-CD2 3.74Å; F154-L175 HydrophobicContact CD2-CD2 3.65Å; F154-L175 HydrophobicContact CE1-CB 4.22Å; F154-L175 HydrophobicContact CE1-CD2 3.89Å; F154-L175 HydrophobicContact CE2-CB 4.35Å; F154-L175 HydrophobicContact CE2-CD2 3.78Å; F154-L175 HydrophobicContact CG-CD2 3.62Å; F154-L175 HydrophobicContact CZ-CB 3.93Å; F154-L175 HydrophobicContact CZ-CD2 3.9Å; F154-Y201 HydrophobicContact CB-CD2 3.96Å; F154-Y201 HydrophobicContact CB-CE2 3.92Å; F154-Y201 HydrophobicContact CD1-CE2 4.16Å; F154-Y201 HydrophobicContact CG-CE2 4.37Å; F154-Y201 WeakPolarHBondContact O-CD2 3.31Å; F154-Y201 VanDerWaalsContact O-CE2 3.31Å; F154-Y201 WeakPolarHBondContact O-CE2 3.34Å
155T75.1Confident82.8Confident58 Ų5852.1 Ų52.136%0.35628%0.275SS..  trans-70.1138.6179.355.30000112.9E151 N157 S158E151-T155 HydrophobicContact CB-CG2 4.27Å; E151-T155 HydrophobicContact CG-CG2 4.4Å; E151-T155 WeakPolarHBondContact O-CB 3.44Å; E151-T155 WeakPolarHBondContact O-CG2 3.37Å; E151-T155 PolarHBondContact O-OG1 3.48Å; T155-N157 PolarHBondContact O-N 3.15Å; T155-S158 PolarHBondContact O-N 3.47Å
156I55.6Low83Confident140 Ų14052.4 Ų52.472%0.71828%0.277SS*.THydrogen-bonded Turntrans-56.1-24.4-171-65.2167.5000113.5
157N55.5Low83.6Confident157 Ų15750.3 Ų50.384%0.8426%0.264SS*.THydrogen-bonded Turntrans-98.4-4.6-176.5-63.6-26.5000113.7T155T155-N157 PolarHBondContact O-N 3.15Å
158S57.8Low84.1Confident55 Ų5545.2 Ų45.239%0.38524%0.237SC..SBendtrans-91.5127.2177.4-169.20000109.5T155T155-S158 PolarHBondContact O-N 3.47Å
159P67.9Low84.2Confident109 Ų10945.4 Ų45.471%0.70824%0.237SC*.  trans-56.6155.4161.526.7-32.2000109.3Y161P159-Y161 PolarHBondContact O-N 3.49Å
160D85.4Confident84.3Confident40 Ų4047.3 Ų47.321%0.21425%0.246CC..  trans-32.7121.9177.3-73-46.7000111.8N168 K172 R348D160-N168 HydrophobicContact CB-CB 4.25Å; D160-K172 WeakPolarHBondContact OD1-CE 3.42Å; D160-K172 IonicContact OD1-NZ 3.32Å; D160-K172 PolarHBondContact OD1-NZ 2.82Å; D160-R348 IonicContact OD2-NH1 3.9Å
161Y91.5Very high84.5Confident28 Ų2846.9 Ų46.911%0.1124%0.244CC..SBendtrans-64.8-45.7-172.3176.9-97.9000110.9R152 I153 P159 N168 K525 I526R152-Y161 HydrophobicContact CB-CD2 4.27Å; R152-Y161 HydrophobicContact CB-CE2 4.29Å; I153-Y161 HydrophobicContact CG1-CD1 4.17Å; I153-Y161 HydrophobicContact CG1-CG 4.1Å; P159-Y161 PolarHBondContact O-N 3.49Å; Y161-N168 PolarHBondContact N-OD1 3.09Å; Y161-N168 VanDerWaalsContact N-OD1 3.14Å; Y161-K525 WeakPolarHBondContact O-CD 3.42Å; Y161-K525 WeakPolarHBondContact O-CE 3.37Å; Y161-K525 PolarHBondContact O-NZ 3.46Å; Y161-I526 HydrophobicContact CE1-CD1 4.09Å
162F94.2Very high84.8Confident2 Ų243.3 Ų43.31%0.00923%0.227CC..SBendtrans-84.4149.7172.6-60-80.7000110.3S164 I167 N168 L171 D522 I526 F557 F561 F565F162-S164 VanDerWaalsContact C-N 3.33Å; F162-I167 HydrophobicContact CB-CB 4.38Å; F162-I167 HydrophobicContact CB-CG2 4.44Å; F162-I167 HydrophobicContact CD1-CG2 4.48Å; F162-I167 HydrophobicContact CD2-CB 4.29Å; F162-I167 HydrophobicContact CD2-CG2 3.5Å; F162-I167 HydrophobicContact CE2-CG2 3.75Å; F162-I167 HydrophobicContact CG-CB 4.35Å; F162-I167 HydrophobicContact CG-CG2 3.9Å; F162-I167 HydrophobicContact CZ-CG2 4.33Å; F162-N168 PolarHBondContact N-OD1 3.41Å; F162-N168 VanDerWaalsContact N-OD1 3.08Å; F162-N168 PolarHBondContact O-ND2 3.31Å; F162-L171 HydrophobicContact CD2-CD1 4.35Å; F162-L171 HydrophobicContact CE2-CD1 3.76Å; F162-D522 WeakPolarHBondContact CA-OD1 3.47Å; F162-D522 HydrophobicContact CD1-CB 4.18Å; F162-I526 HydrophobicContact CE1-CD1 3.83Å; F162-I526 HydrophobicContact CE1-CG1 3.97Å; F162-I526 HydrophobicContact CZ-CD1 4.1Å; F162-F557 HydrophobicContact CE2-CZ 4.48Å; F162-F557 HydrophobicContact CZ-CE1 4.34Å; F162-F557 HydrophobicContact CZ-CZ 4.03Å; F162-F561 HydrophobicContact CE1-CD1 4.19Å; F162-F561 HydrophobicContact CE1-CE1 4.33Å; F162-F561 HydrophobicContact CE2-CE1 4.4Å; F162-F561 HydrophobicContact CE2-CZ 4.24Å; F162-F561 HydrophobicContact CZ-CD1 4.08Å; F162-F561 HydrophobicContact CZ-CD2 4.3Å; F162-F561 AromaticContact CZ-CE1 3.9Å; F162-F561 HydrophobicContact CZ-CE1 3.9Å; F162-F561 HydrophobicContact CZ-CE2 4.12Å; F162-F561 HydrophobicContact CZ-CG 4.28Å; F162-F561 AromaticContact CZ-CZ 3.92Å; F162-F561 HydrophobicContact CZ-CZ 3.92Å; F162-F565 HydrophobicContact CD1-CZ 4.07Å; F162-F565 AromaticContact CE1-CZ 3.85Å; F162-F565 HydrophobicContact CE1-CZ 3.85Å
163H93.5Very high84.9Confident75 Ų7542 Ų4235%0.34722%0.222SC..SBendtrans-75.1-28.8166.8-62.999000111.2N165 Q518 D521 D522 K525H163-N165 PolarHBondContact O-N 3.43Å; H163-N165 VanDerWaalsContact O-N 3.11Å; H163-N165 PolarHBondContact O-OD1 3.12Å; H163-Q518 HydrophobicContact CB-CB 4.07Å; H163-Q518 HydrophobicContact CB-CG 4.01Å; H163-Q518 PolarHBondContact O-NE2 3.48Å; H163-D521 VanDerWaalsContact CE1-CB 3.43Å; H163-D521 WeakPolarHBondContact CE1-CB 3.35Å; H163-D521 VanDerWaalsContact ND1-CB 3.35Å; H163-D521 WeakPolarHBondContact ND1-CB 3.23Å; H163-D522 IonicContact CG-OD1 3.92Å; H163-D522 PolarHBondContact N-OD1 3.01Å; H163-D522 PolarHBondContact N-OD2 3.16Å; H163-D522 IonicContact ND1-OD1 3.71Å; H163-D522 PolarHBondContact ND1-OD1 3.33Å; H163-K525 WeakPolarHBondContact CE1-CE 3.24Å; H163-K525 PolarHBondContact CE1-NZ 2.96Å; H163-K525 PolarHBondContact ND1-NZ 2.93Å; H163-K525 PolarHBondContact NE2-NZ 3.25Å
164S94.8Very high85Confident2 Ų241.4 Ų41.41%0.01422%0.219CC..  trans-68.2103.9172.4-54.20000110.7F162 D166 I167 N168 D522F162-S164 VanDerWaalsContact C-N 3.33Å; S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 2.68Å; S164-I167 PolarHBondContact O-N 2.97Å; S164-N168 PolarHBondContact O-N 2.89Å; S164-N168 PolarHBondContact O-ND2 2.6Å; S164-D522 WeakPolarHBondContact CB-OD2 3.08Å; S164-D522 PolarHBondContact N-OD2 2.88Å; S164-D522 PolarHBondContact OG-OD2 2.79Å
165N91.6Very high85.3Confident18 Ų1841 Ų4110%0.09622%0.217CC..Hα-helixtrans-55.9-43.9-176.6-6875.6000113.1H163 I167 N168 I169 S346 D439H163-N165 PolarHBondContact O-N 3.43Å; H163-N165 VanDerWaalsContact O-N 3.11Å; H163-N165 PolarHBondContact O-OD1 3.12Å; N165-I167 VanDerWaalsContact C-N 3.29Å; N165-I167 PolarHBondContact O-N 3.38Å; N165-N168 PolarHBondContact O-N 3.3Å; N165-I169 HydrophobicContact CB-CD1 4.38Å; N165-I169 WeakPolarHBondContact O-CB 3.41Å; N165-I169 VanDerWaalsContact O-CG1 3.25Å; N165-I169 WeakPolarHBondContact O-CG1 3.32Å; N165-I169 PolarHBondContact O-N 3.43Å; N165-S346 VanDerWaalsContact CB-OG 3.31Å; N165-S346 WeakPolarHBondContact CB-OG 3.4Å; N165-D439 PolarHBondContact ND2-OD2 3.45Å
166D92.8Very high86Confident10 Ų1039 Ų395%0.05320%0.204CC..Hα-helixtrans-62-34.4-177.863.7-35000112.9S164 K170 L322 T441 R568S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 PolarHBondContact O-N 2.68Å; D166-K170 VanDerWaalsContact O-CB 3.25Å; D166-K170 WeakPolarHBondContact O-CB 3.42Å; D166-K170 PolarHBondContact O-N 2.91Å; D166-L322 HydrophobicContact CB-CD2 4.4Å; D166-T441 HydrophobicContact CB-CG2 4.29Å; D166-R568 IonicContact OD1-CZ 3.59Å; D166-R568 IonicContact OD1-NH1 2.71Å; D166-R568 IonicContact OD1-NH2 2.69Å; D166-R568 PolarHBondContact OD1-NH2 2.92Å; D166-R568 IonicContact OD2-CZ 2.76Å; D166-R568 VanDerWaalsContact OD2-CZ 3.23Å; D166-R568 IonicContact OD2-NH1 3.14Å; D166-R568 PolarHBondContact OD2-NH1 2.55Å; D166-R568 IonicContact OD2-NH2 3.98Å; D166-R568 PolarHBondContact OD2-NH2 3.48Å
167I95.2Very high87.8Confident0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-63.7-49.7173.9-57.2-177.8000110.5F162 S164 N165 I169 K170 L171 L322 F561 Y564 F565F162-I167 HydrophobicContact CB-CB 4.38Å; F162-I167 HydrophobicContact CB-CG2 4.44Å; F162-I167 HydrophobicContact CD1-CG2 4.48Å; F162-I167 HydrophobicContact CD2-CB 4.29Å; F162-I167 HydrophobicContact CD2-CG2 3.5Å; F162-I167 HydrophobicContact CE2-CG2 3.75Å; F162-I167 HydrophobicContact CG-CB 4.35Å; F162-I167 HydrophobicContact CG-CG2 3.9Å; F162-I167 HydrophobicContact CZ-CG2 4.33Å; S164-I167 PolarHBondContact O-N 2.97Å; N165-I167 VanDerWaalsContact C-N 3.29Å; N165-I167 PolarHBondContact O-N 3.38Å; I167-I169 PolarHBondContact O-N 2.9Å; I167-K170 PolarHBondContact O-N 3.28Å; I167-L171 HydrophobicContact CG2-CD1 4.19Å; I167-L171 WeakPolarHBondContact O-CG 3.42Å; I167-L171 PolarHBondContact O-N 3.41Å; I167-L322 HydrophobicContact CG1-CD1 4.22Å; I167-L322 HydrophobicContact CG1-CD2 4.47Å; I167-F561 HydrophobicContact CG2-CE1 3.74Å; I167-F561 HydrophobicContact CG2-CZ 4.14Å; I167-Y564 HydrophobicContact CD1-CE1 3.78Å; I167-Y564 HydrophobicContact CG1-CE1 4.35Å; I167-F565 HydrophobicContact CD1-CE1 3.71Å; I167-F565 HydrophobicContact CD1-CZ 4.43Å
168N93Very high89.7Confident5 Ų529 Ų293%0.02715%0.146CC..Hα-helixtrans-61.9-45.8178.9-62.5-73.3000111.3D160 Y161 F162 S164 N165 K170 L171 K172D160-N168 HydrophobicContact CB-CB 4.25Å; Y161-N168 PolarHBondContact N-OD1 3.09Å; Y161-N168 VanDerWaalsContact N-OD1 3.14Å; F162-N168 PolarHBondContact N-OD1 3.41Å; F162-N168 VanDerWaalsContact N-OD1 3.08Å; F162-N168 PolarHBondContact O-ND2 3.31Å; S164-N168 PolarHBondContact O-N 2.89Å; S164-N168 PolarHBondContact O-ND2 2.6Å; N165-N168 PolarHBondContact O-N 3.3Å; N168-K170 VanDerWaalsContact C-N 3.33Å; N168-K170 PolarHBondContact O-N 3.44Å; N168-L171 PolarHBondContact O-N 3.23Å; N168-K172 WeakPolarHBondContact O-CB 3.44Å; N168-K172 VanDerWaalsContact O-CG 3.27Å; N168-K172 WeakPolarHBondContact O-CG 3.25Å; N168-K172 PolarHBondContact O-N 3.25Å
169I91.1Very high91.4Very high9 Ų926.6 Ų26.65%0.04613%0.129CC..Hα-helixtrans-59.9-45.5178.7-68.2166.9000110.1N165 I167 K172 R173 D439 T441N165-I169 HydrophobicContact CB-CD1 4.38Å; N165-I169 WeakPolarHBondContact O-CB 3.41Å; N165-I169 VanDerWaalsContact O-CG1 3.25Å; N165-I169 WeakPolarHBondContact O-CG1 3.32Å; N165-I169 PolarHBondContact O-N 3.43Å; I167-I169 PolarHBondContact O-N 2.9Å; I169-K172 PolarHBondContact O-N 2.75Å; I169-R173 HydrophobicContact CG2-CG 4.28Å; I169-R173 VanDerWaalsContact O-CB 3.3Å; I169-R173 WeakPolarHBondContact O-CB 3.26Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.49Å; I169-R173 PolarHBondContact O-N 3.21Å; I169-D439 HydrophobicContact CD1-CB 4.07Å; I169-D439 WeakPolarHBondContact CD1-O 3.42Å; I169-D439 HydrophobicContact CG1-CB 4.44Å; I169-D439 WeakPolarHBondContact CG1-O 3.4Å; I169-T441 HydrophobicContact CD1-CG2 3.86Å
170K92.9Very high92.6Very high40 Ų4025.7 Ų25.717%0.17411%0.111CC..Hα-helixtrans-61-47.8178.7-173.674.6-177.1-176.10111.5D166 I167 N168 R173 L174 L322 T326 E327D166-K170 VanDerWaalsContact O-CB 3.25Å; D166-K170 WeakPolarHBondContact O-CB 3.42Å; D166-K170 PolarHBondContact O-N 2.91Å; I167-K170 PolarHBondContact O-N 3.28Å; N168-K170 VanDerWaalsContact C-N 3.33Å; N168-K170 PolarHBondContact O-N 3.44Å; K170-R173 PolarHBondContact O-N 3.37Å; K170-L174 HydrophobicContact CG-CD1 4.21Å; K170-L174 WeakPolarHBondContact O-CB 3.47Å; K170-L174 WeakPolarHBondContact O-CG 3.48Å; K170-L174 PolarHBondContact O-N 2.86Å; K170-L322 HydrophobicContact CB-CD2 4.05Å; K170-L322 HydrophobicContact CB-CG 4.28Å; K170-L322 HydrophobicContact CG-CD2 4.35Å; K170-L322 HydrophobicContact CG-CG 4.1Å; K170-T326 WeakPolarHBondContact CE-OG1 3.48Å; K170-T326 HydrophobicContact CG-CG2 4.17Å; K170-T326 WeakPolarHBondContact CG-OG1 3.5Å; K170-E327 WeakPolarHBondContact CE-OE1 3.47Å; K170-E327 IonicContact NZ-OE1 3.89Å; K170-E327 PolarHBondContact NZ-OE1 3Å
171L94Very high93Very high1 Ų124.4 Ų24.41%0.00511%0.105CC..Hα-helixtrans-64-43.8179.3-70.1176.6000112.3P138 I142 I153 F154 F162 I167 N168 L174 L175 T326 F561P138-L171 HydrophobicContact CB-CD2 3.88Å; I142-L171 HydrophobicContact CD1-CD1 4.4Å; I142-L171 HydrophobicContact CD1-CD2 4.37Å; I153-L171 HydrophobicContact CG2-CD1 4.29Å; F154-L171 HydrophobicContact CE1-CB 4.2Å; F154-L171 HydrophobicContact CZ-CB 4.04Å; F162-L171 HydrophobicContact CD2-CD1 4.35Å; F162-L171 HydrophobicContact CE2-CD1 3.76Å; I167-L171 HydrophobicContact CG2-CD1 4.19Å; I167-L171 WeakPolarHBondContact O-CG 3.42Å; I167-L171 PolarHBondContact O-N 3.41Å; N168-L171 PolarHBondContact O-N 3.23Å; L171-L174 PolarHBondContact O-N 2.69Å; L171-L175 PolarHBondContact O-N 3.16Å; L171-T326 HydrophobicContact CD2-CG2 4.17Å; L171-F561 HydrophobicContact CD1-CZ 4.3Å
172K91.6Very high93.1Very high43 Ų4323.6 Ų23.619%0.18710%0.102CC..Hα-helixtrans-62.8-47.1176.3-72.4173176.1-179.70111.4F154 D160 N168 I169 L174 L175 T176F154-K172 HydrophobicContact CD1-CG 4.39Å; F154-K172 HydrophobicContact CE1-CG 4.1Å; D160-K172 WeakPolarHBondContact OD1-CE 3.42Å; D160-K172 IonicContact OD1-NZ 3.32Å; D160-K172 PolarHBondContact OD1-NZ 2.82Å; N168-K172 WeakPolarHBondContact O-CB 3.44Å; N168-K172 VanDerWaalsContact O-CG 3.27Å; N168-K172 WeakPolarHBondContact O-CG 3.25Å; N168-K172 PolarHBondContact O-N 3.25Å; I169-K172 PolarHBondContact O-N 2.75Å; K172-L174 VanDerWaalsContact C-N 3.29Å; K172-L174 PolarHBondContact O-N 3.35Å; K172-L175 PolarHBondContact O-N 3.12Å; K172-T176 PolarHBondContact O-N 3.37Å; K172-T176 PolarHBondContact O-OG1 2.99Å; K172-T176 VanDerWaalsContact O-OG1 3.14Å
173R90.2Very high92.9Very high67 Ų6727.8 Ų27.825%0.25312%0.124SC..Hα-helixtrans-58.9-40.1176.5-78-178.6174.5175.5-1.1112I169 K170 T176 R177 D431 T441I169-R173 HydrophobicContact CG2-CG 4.28Å; I169-R173 VanDerWaalsContact O-CB 3.3Å; I169-R173 WeakPolarHBondContact O-CB 3.26Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.49Å; I169-R173 PolarHBondContact O-N 3.21Å; K170-R173 PolarHBondContact O-N 3.37Å; R173-T176 PolarHBondContact O-N 2.81Å; R173-R177 WeakPolarHBondContact O-CB 3.19Å; R173-R177 WeakPolarHBondContact O-CG 3.39Å; R173-R177 PolarHBondContact O-N 3.09Å; R173-D431 IonicContact NH1-OD2 3.23Å; R173-T441 PolarHBondContact NH1-OG1 2.88Å; R173-T441 PolarHBondContact NH2-O 3.2Å
174L93.5Very high92.8Very high2 Ų226.8 Ų26.81%0.0113%0.125CC..Hα-helixtrans-64.9-46.4176-78.9168.2000112.5L139 K170 L171 K172 T176 R177 L178 W215 T326 E327L139-L174 HydrophobicContact CD2-CB 4.06Å; K170-L174 HydrophobicContact CG-CD1 4.21Å; K170-L174 WeakPolarHBondContact O-CB 3.47Å; K170-L174 WeakPolarHBondContact O-CG 3.48Å; K170-L174 PolarHBondContact O-N 2.86Å; L171-L174 PolarHBondContact O-N 2.69Å; K172-L174 VanDerWaalsContact C-N 3.29Å; K172-L174 PolarHBondContact O-N 3.35Å; L174-T176 PolarHBondContact O-N 3.47Å; L174-R177 PolarHBondContact O-N 3.18Å; L174-L178 PolarHBondContact O-N 2.91Å; L174-W215 HydrophobicContact CD2-CH2 3.77Å; L174-T326 VanDerWaalsContact CD1-CB 3.4Å; L174-T326 HydrophobicContact CD1-CG2 4.3Å; L174-E327 WeakPolarHBondContact CD2-OE2 3.33Å
175L93.5Very high92.7Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-59.3-47.9174.9177.858.5000110.8L139 L143 F154 L171 K172 R177 L178 L179 Y201 I206L139-L175 HydrophobicContact CD1-CB 4.1Å; L139-L175 HydrophobicContact CD1-CD1 4.27Å; L143-L175 HydrophobicContact CD1-CD1 4.39Å; L143-L175 HydrophobicContact CD2-CD1 4.08Å; F154-L175 HydrophobicContact CB-CD2 4.24Å; F154-L175 HydrophobicContact CD1-CD2 3.74Å; F154-L175 HydrophobicContact CD2-CD2 3.65Å; F154-L175 HydrophobicContact CE1-CB 4.22Å; F154-L175 HydrophobicContact CE1-CD2 3.89Å; F154-L175 HydrophobicContact CE2-CB 4.35Å; F154-L175 HydrophobicContact CE2-CD2 3.78Å; F154-L175 HydrophobicContact CG-CD2 3.62Å; F154-L175 HydrophobicContact CZ-CB 3.93Å; F154-L175 HydrophobicContact CZ-CD2 3.9Å; L171-L175 PolarHBondContact O-N 3.16Å; K172-L175 PolarHBondContact O-N 3.12Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 2.86Å; L175-L178 WeakPolarHBondContact O-CB 2.92Å; L175-L178 PolarHBondContact O-N 3.23Å; L175-L179 HydrophobicContact CD1-CD1 3.8Å; L175-L179 HydrophobicContact CD1-CD2 4.35Å; L175-L179 HydrophobicContact CD1-CG 3.93Å; L175-L179 HydrophobicContact CD2-CD1 4.44Å; L175-L179 HydrophobicContact CG-CD1 3.72Å; L175-L179 HydrophobicContact CG-CG 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 3.4Å; L175-Y201 HydrophobicContact CD2-CD1 3.59Å; L175-Y201 HydrophobicContact CD2-CD2 3.75Å; L175-Y201 HydrophobicContact CD2-CE1 3.85Å; L175-Y201 HydrophobicContact CD2-CE2 4.01Å; L175-Y201 HydrophobicContact CD2-CG 3.53Å; L175-Y201 HydrophobicContact CG-CD1 4.03Å; L175-Y201 HydrophobicContact CG-CE1 4.32Å; L175-Y201 HydrophobicContact CG-CG 4.35Å; L175-I206 HydrophobicContact CD1-CD1 4.35Å
176T91Very high92.6Very high16 Ų1628.3 Ų28.310%0.09813%0.131CC..Hα-helixtrans-59.5-42.7177.5-62.10000112.1K172 R173 L174 L179 R180K172-T176 PolarHBondContact O-N 3.37Å; K172-T176 PolarHBondContact O-OG1 2.99Å; K172-T176 VanDerWaalsContact O-OG1 3.14Å; R173-T176 PolarHBondContact O-N 2.81Å; L174-T176 PolarHBondContact O-N 3.47Å; T176-L179 PolarHBondContact O-N 2.73Å; T176-R180 HydrophobicContact CG2-CG 4.43Å; T176-R180 WeakPolarHBondContact O-CB 3.28Å; T176-R180 VanDerWaalsContact O-CG 3.29Å; T176-R180 WeakPolarHBondContact O-CG 3.33Å; T176-R180 PolarHBondContact O-N 2.95Å
177R93.8Very high92.3Very high88 Ų8830.2 Ų30.233%0.33214%0.144SC..Hα-helixtrans-59.1-48.1174.4-80.8168.556-161-8.3111.8R173 L174 L175 L179 R180 S181 W215 N219 E327R173-R177 WeakPolarHBondContact O-CB 3.19Å; R173-R177 WeakPolarHBondContact O-CG 3.39Å; R173-R177 PolarHBondContact O-N 3.09Å; L174-R177 PolarHBondContact O-N 3.18Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 2.86Å; R177-L179 VanDerWaalsContact C-N 3.34Å; R177-L179 PolarHBondContact O-N 3.13Å; R177-R180 PolarHBondContact O-N 3.25Å; R177-S181 PolarHBondContact O-N 3.1Å; R177-S181 PolarHBondContact O-OG 3.07Å; R177-W215 HydrophobicContact CB-CZ2 4.15Å; R177-N219 PolarHBondContact NH2-OD1 3.38Å; R177-E327 IonicContact CZ-OE1 3.59Å; R177-E327 IonicContact CZ-OE2 3.35Å; R177-E327 IonicContact NH1-OE1 3.36Å; R177-E327 PolarHBondContact NH1-OE1 2.82Å; R177-E327 IonicContact NH1-OE2 2.88Å; R177-E327 PolarHBondContact NH1-OE2 2.85Å; R177-E327 IonicContact NH2-OE1 2.63Å; R177-E327 IonicContact NH2-OE2 2.61Å; R177-E327 PolarHBondContact NH2-OE2 3.47Å; R177-E327 VanDerWaalsContact NH2-OE2 3.09Å
178L95.4Very high92Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-57.8-46.7176.3172.970.5000111.6L139 L143 L174 L175 S181 W182 P207 F211 L212 W215L139-L178 HydrophobicContact CD2-CB 4.45Å; L139-L178 HydrophobicContact CD2-CD2 4.16Å; L143-L178 HydrophobicContact CD1-CD2 3.29Å; L174-L178 PolarHBondContact O-N 2.91Å; L175-L178 WeakPolarHBondContact O-CB 2.92Å; L175-L178 PolarHBondContact O-N 3.23Å; L178-S181 PolarHBondContact O-N 3.43Å; L178-W182 PolarHBondContact O-N 3.39Å; L178-P207 HydrophobicContact CD1-CG 4.16Å; L178-P207 HydrophobicContact CD2-CG 3.94Å; L178-P207 HydrophobicContact CG-CG 3.97Å; L178-F211 HydrophobicContact CD1-CD1 4.04Å; L178-F211 HydrophobicContact CD1-CE1 3.85Å; L178-L212 HydrophobicContact CD1-CD1 4.39Å; L178-L212 HydrophobicContact CD2-CD1 3.93Å; L178-W215 HydrophobicContact CB-CD2 4.45Å; L178-W215 HydrophobicContact CD1-CB 3.6Å; L178-W215 HydrophobicContact CD1-CD2 3.85Å; L178-W215 HydrophobicContact CD1-CG 3.38Å
179L93.5Very high91.6Very high4 Ų432.1 Ų32.12%0.02115%0.152CC..Hα-helixtrans-67.2-37.4-177.9-65.5170.7000112.2L175 T176 R177 W182 N183 Y201 Y204 D205 I206L175-L179 HydrophobicContact CD1-CD1 3.8Å; L175-L179 HydrophobicContact CD1-CD2 4.35Å; L175-L179 HydrophobicContact CD1-CG 3.93Å; L175-L179 HydrophobicContact CD2-CD1 4.44Å; L175-L179 HydrophobicContact CG-CD1 3.72Å; L175-L179 HydrophobicContact CG-CG 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.42Å; L175-L179 PolarHBondContact O-N 3.4Å; T176-L179 PolarHBondContact O-N 2.73Å; R177-L179 VanDerWaalsContact C-N 3.34Å; R177-L179 PolarHBondContact O-N 3.13Å; L179-W182 PolarHBondContact O-N 3.04Å; L179-N183 WeakPolarHBondContact O-CB 3.36Å; L179-N183 PolarHBondContact O-N 3.44Å; L179-Y201 HydrophobicContact CD1-CD1 3.63Å; L179-Y201 HydrophobicContact CD1-CG 4.2Å; L179-Y204 HydrophobicContact CB-CG 4.31Å; L179-D205 VanDerWaalsContact CD2-O 3.3Å; L179-D205 WeakPolarHBondContact CD2-O 3.36Å; L179-I206 HydrophobicContact CD2-CD1 3.88Å
180R92.1Very high90.4Very high90 Ų9034.2 Ų34.234%0.3417%0.166SC..Hα-helixtrans-61.7-50.9172.4-75.8173.5174.1163.40.2111.4T176 R177 W182 N183 C184 N433 D434T176-R180 HydrophobicContact CG2-CG 4.43Å; T176-R180 WeakPolarHBondContact O-CB 3.28Å; T176-R180 VanDerWaalsContact O-CG 3.29Å; T176-R180 WeakPolarHBondContact O-CG 3.33Å; T176-R180 PolarHBondContact O-N 2.95Å; R177-R180 PolarHBondContact O-N 3.25Å; R180-W182 VanDerWaalsContact C-N 3.27Å; R180-W182 PolarHBondContact O-N 3Å; R180-N183 PolarHBondContact O-N 3.24Å; R180-N183 VanDerWaalsContact O-N 3.16Å; R180-C184 PolarHBondContact O-N 3.04Å; R180-C184 PolarHBondContact O-SG 2.68Å; R180-N433 PolarHBondContact NH2-O 2.85Å; R180-D434 IonicContact CZ-OD1 3.77Å; R180-D434 IonicContact CZ-OD2 3.12Å; R180-D434 IonicContact NH1-OD1 2.8Å; R180-D434 IonicContact NH1-OD2 3.8Å; R180-D434 PolarHBondContact NH1-OD2 2.89Å; R180-D434 IonicContact NH2-OD1 3.6Å; R180-D434 PolarHBondContact NH2-OD1 3.41Å; R180-D434 IonicContact NH2-OD2 3.84Å; R180-D434 PolarHBondContact NH2-OD2 3.26Å
181S94.2Very high88.7Confident12 Ų1239 Ų398%0.08419%0.193CC..Hα-helixtrans-55.5-44.9175.2-67.90000111.2D101 R177 L178 C184 I185D101-S181 WeakPolarHBondContact OD1-CA 3.46Å; D101-S181 WeakPolarHBondContact OD1-CB 3.41Å; D101-S181 PolarHBondContact OD1-OG 3.11Å; R177-S181 PolarHBondContact O-N 3.1Å; R177-S181 PolarHBondContact O-OG 3.07Å; L178-S181 PolarHBondContact O-N 3.43Å; S181-C184 PolarHBondContact O-N 3.43Å; S181-I185 WeakPolarHBondContact O-CB 3.28Å; S181-I185 WeakPolarHBondContact O-CD1 3.35Å; S181-I185 VanDerWaalsContact O-CG1 3.23Å; S181-I185 WeakPolarHBondContact O-CG1 3.5Å; S181-I185 PolarHBondContact O-N 3.23Å
182W93.5Very high86.6Confident12 Ų1243.9 Ų43.95%0.04522%0.219CC..Hα-helixtrans-61.8-46.8177.2177.1-131.4000112.1Y108 L178 L179 R180 C184 I185 K186 P207 P208 F211Y108-W182 HydrophobicContact CE1-CZ3 4.27Å; L178-W182 PolarHBondContact O-N 3.39Å; L179-W182 PolarHBondContact O-N 3.04Å; R180-W182 VanDerWaalsContact C-N 3.27Å; R180-W182 PolarHBondContact O-N 3Å; W182-C184 VanDerWaalsContact C-N 3.28Å; W182-C184 PolarHBondContact O-N 3.43Å; W182-I185 PolarHBondContact O-N 2.93Å; W182-K186 HydrophobicContact CD2-CB 3.9Å; W182-K186 HydrophobicContact CD2-CG 4.47Å; W182-K186 HydrophobicContact CE3-CB 3.97Å; W182-K186 HydrophobicContact CH2-CB 3.98Å; W182-K186 HydrophobicContact CH2-CG 3.92Å; W182-K186 HydrophobicContact CZ2-CB 3.91Å; W182-K186 HydrophobicContact CZ2-CD 3.75Å; W182-K186 HydrophobicContact CZ2-CG 3.62Å; W182-K186 HydrophobicContact CZ3-CB 4.01Å; W182-K186 HydrophobicContact CZ3-CG 4.46Å; W182-K186 WeakPolarHBondContact O-CB 3.4Å; W182-K186 PolarHBondContact O-N 2.82Å; W182-P207 HydrophobicContact CB-CB 4.05Å; W182-P207 HydrophobicContact CB-CG 4.38Å; W182-P207 HydrophobicContact CD2-CB 3.76Å; W182-P207 HydrophobicContact CE3-CB 4.29Å; W182-P207 HydrophobicContact CG-CB 3.64Å; W182-P207 HydrophobicContact CG-CG 4.39Å; W182-P208 HydrophobicContact CH2-CG 4.09Å; W182-P208 HydrophobicContact CZ2-CG 4.4Å; W182-F211 VanDerWaalsContact CA-CZ 3.48Å; W182-F211 HydrophobicContact CB-CD1 4.2Å; W182-F211 HydrophobicContact CB-CE1 3.66Å; W182-F211 HydrophobicContact CB-CZ 3.99Å; W182-F211 HydrophobicContact CD2-CD1 4.46Å; W182-F211 HydrophobicContact CD2-CG 4.45Å; W182-F211 HydrophobicContact CE3-CB 4.32Å; W182-F211 AromaticContact CE3-CD1 4Å; W182-F211 HydrophobicContact CE3-CD1 4Å; W182-F211 AromaticContact CE3-CD2 3.44Å; W182-F211 HydrophobicContact CE3-CD2 3.44Å; W182-F211 VanDerWaalsContact CE3-CD2 3.44Å; W182-F211 HydrophobicContact CE3-CE1 4.16Å; W182-F211 AromaticContact CE3-CE2 3.64Å; W182-F211 HydrophobicContact CE3-CE2 3.64Å; W182-F211 AromaticContact CE3-CG 3.63Å; W182-F211 HydrophobicContact CE3-CG 3.63Å; W182-F211 AromaticContact CE3-CZ 4Å; W182-F211 HydrophobicContact CE3-CZ 4Å; W182-F211 HydrophobicContact CG-CE1 4.44Å; W182-F211 HydrophobicContact CZ3-CB 4.34Å; W182-F211 AromaticContact CZ3-CD2 3.71Å; W182-F211 HydrophobicContact CZ3-CD2 3.71Å; W182-F211 HydrophobicContact CZ3-CE2 4.22Å; W182-F211 HydrophobicContact CZ3-CG 4.03Å
183N90.6Very high84.6Confident89 Ų8949.1 Ų49.148%0.47625%0.249SC..Hα-helixtrans-60.5-38-180-170.352.3000112.4L179 R180 P187 Y204L179-N183 WeakPolarHBondContact O-CB 3.36Å; L179-N183 PolarHBondContact O-N 3.44Å; R180-N183 PolarHBondContact O-N 3.24Å; R180-N183 VanDerWaalsContact O-N 3.16Å; N183-P187 WeakPolarHBondContact O-CD 3.4Å; N183-Y204 HydrophobicContact CB-CD1 4.28Å; N183-Y204 HydrophobicContact CB-CE1 4.3Å
184C90.8Very high82.7Confident55 Ų5551.1 Ų51.137%0.37227%0.265SS..Hα-helixtrans-71-38.2176.2-69.10000113L97 R180 S181 W182L97-C184 HydrophobicContact CD2-CB 4.02Å; R180-C184 PolarHBondContact O-N 3.04Å; R180-C184 PolarHBondContact O-SG 2.68Å; S181-C184 PolarHBondContact O-N 3.43Å; W182-C184 VanDerWaalsContact C-N 3.28Å; W182-C184 PolarHBondContact O-N 3.43Å
185I92.4Very high80.7Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-89.8-34-171.9-65.6169.3000112.7L97 D101 I104 A105 S181 W182 P187 I188 F189 F211L97-I185 HydrophobicContact CD1-CG1 4.14Å; L97-I185 HydrophobicContact CD2-CG1 3.87Å; D101-I185 HydrophobicContact CB-CD1 3.87Å; D101-I185 HydrophobicContact CB-CG1 4.15Å; D101-I185 VanDerWaalsContact O-CD1 3.23Å; D101-I185 WeakPolarHBondContact O-CD1 3.41Å; I104-I185 HydrophobicContact CB-CD1 3.89Å; I104-I185 HydrophobicContact CG2-CD1 3.77Å; A105-I185 HydrophobicContact CB-CD1 4.25Å; A105-I185 HydrophobicContact CB-CG1 4.31Å; A105-I185 HydrophobicContact CB-CG2 3.86Å; S181-I185 WeakPolarHBondContact O-CB 3.28Å; S181-I185 WeakPolarHBondContact O-CD1 3.35Å; S181-I185 VanDerWaalsContact O-CG1 3.23Å; S181-I185 WeakPolarHBondContact O-CG1 3.5Å; S181-I185 PolarHBondContact O-N 3.23Å; W182-I185 PolarHBondContact O-N 2.93Å; I185-P187 VanDerWaalsContact C-N 3.32Å; I185-P187 VanDerWaalsContact O-N 3.15Å; I185-I188 HydrophobicContact CG2-CD1 4.47Å; I185-I188 WeakPolarHBondContact O-CB 3.27Å; I185-I188 PolarHBondContact O-N 3.34Å; I185-F189 HydrophobicContact CG2-CD2 3.87Å; I185-F189 HydrophobicContact CG2-CE2 3.48Å; I185-F189 VanDerWaalsContact CG2-CE2 3.48Å; I185-F211 HydrophobicContact CB-CE2 3.97Å; I185-F211 HydrophobicContact CB-CZ 4.45Å; I185-F211 HydrophobicContact CD1-CE2 3.76Å; I185-F211 HydrophobicContact CD1-CZ 3.87Å; I185-F211 HydrophobicContact CG1-CE2 4.48Å; I185-F211 HydrophobicContact CG2-CE2 3.91Å
186K89.2Confident78.8Confident51 Ų5156.4 Ų56.422%0.22230%0.299CS..Hα-helixtrans-46.1-45.1-176.8177.1-177.4-176-170.60113.6W182 I188 F189 T190 D205W182-K186 HydrophobicContact CD2-CB 3.9Å; W182-K186 HydrophobicContact CD2-CG 4.47Å; W182-K186 HydrophobicContact CE3-CB 3.97Å; W182-K186 HydrophobicContact CH2-CB 3.98Å; W182-K186 HydrophobicContact CH2-CG 3.92Å; W182-K186 HydrophobicContact CZ2-CB 3.91Å; W182-K186 HydrophobicContact CZ2-CD 3.75Å; W182-K186 HydrophobicContact CZ2-CG 3.62Å; W182-K186 HydrophobicContact CZ3-CB 4.01Å; W182-K186 HydrophobicContact CZ3-CG 4.46Å; W182-K186 WeakPolarHBondContact O-CB 3.4Å; W182-K186 PolarHBondContact O-N 2.82Å; K186-I188 PolarHBondContact O-N 2.84Å; K186-F189 PolarHBondContact O-N 2.88Å; K186-T190 HydrophobicContact CD-CG2 4.46Å; K186-T190 HydrophobicContact CG-CG2 3.64Å; K186-T190 WeakPolarHBondContact O-CG2 3.4Å; K186-T190 PolarHBondContact O-N 3.16Å; K186-D205 IonicContact NZ-OD2 2.94Å; K186-D205 PolarHBondContact NZ-OD2 2.85Å
187P87.6Confident77Confident51 Ų5165.3 Ų65.333%0.33134%0.336SS..Hα-helixtrans-56.9-25.5-178.7-26.736.4000115.2Y93 N183 I185 F189 T190Y93-P187 WeakPolarHBondContact CB-O 3.34Å; N183-P187 WeakPolarHBondContact O-CD 3.4Å; I185-P187 VanDerWaalsContact C-N 3.32Å; I185-P187 VanDerWaalsContact O-N 3.15Å; P187-F189 VanDerWaalsContact C-N 3.26Å; P187-F189 PolarHBondContact O-N 3.49Å; P187-T190 WeakPolarHBondContact CA-OG1 3.19Å; P187-T190 PolarHBondContact O-OG1 3.03Å; P187-T190 VanDerWaalsContact O-OG1 3.06Å
188I87.7Confident75.7Confident12 Ų1263.9 Ų63.96%0.06235%0.35CS..Hα-helixtrans-66.9-31.3176.8-60.9166.6000111.2F87 A95 L97 I185 K186 V257 V258F87-I188 HydrophobicContact CD1-CG2 4.2Å; F87-I188 HydrophobicContact CE1-CG2 3.55Å; F87-I188 HydrophobicContact CZ-CG2 4.15Å; A95-I188 HydrophobicContact CB-CD1 3.74Å; A95-I188 HydrophobicContact CB-CG1 3.72Å; L97-I188 HydrophobicContact CD1-CD1 3.91Å; I185-I188 HydrophobicContact CG2-CD1 4.47Å; I185-I188 WeakPolarHBondContact O-CB 3.27Å; I185-I188 PolarHBondContact O-N 3.34Å; K186-I188 PolarHBondContact O-N 2.84Å; I188-V257 HydrophobicContact CB-CG1 4.47Å; I188-V257 HydrophobicContact CG1-CG1 4.31Å; I188-V257 HydrophobicContact CG2-CG1 3.63Å; I188-V258 HydrophobicContact CD1-CG2 3.79Å
189F84.8Confident74.7Confident32 Ų3266.3 Ų66.314%0.1436%0.362CS..Hα-helixtrans-110.3-0.7-168-60.3-78.4000114.2F87 A105 Y108 H109 I185 K186 P187 N191 N192F87-F189 HydrophobicContact CE1-CD1 4.41Å; F87-F189 HydrophobicContact CE1-CE1 4.05Å; F87-F189 AromaticContact CZ-CE1 3.87Å; F87-F189 HydrophobicContact CZ-CE1 3.87Å; F87-F189 HydrophobicContact CZ-CZ 4.34Å; A105-F189 HydrophobicContact CB-CE2 4.47Å; Y108-F189 HydrophobicContact CD1-CD1 4.34Å; Y108-F189 AromaticContact CD1-CD2 3.83Å; Y108-F189 HydrophobicContact CD1-CD2 3.83Å; Y108-F189 HydrophobicContact CD1-CE1 4.2Å; Y108-F189 AromaticContact CD1-CE2 3.68Å; Y108-F189 HydrophobicContact CD1-CE2 3.68Å; Y108-F189 HydrophobicContact CD1-CG 4.17Å; Y108-F189 AromaticContact CD1-CZ 3.87Å; Y108-F189 HydrophobicContact CD1-CZ 3.87Å; Y108-F189 HydrophobicContact CE1-CB 4.32Å; Y108-F189 HydrophobicContact CE1-CD1 4.21Å; Y108-F189 AromaticContact CE1-CD2 3.81Å; Y108-F189 HydrophobicContact CE1-CD2 3.81Å; Y108-F189 HydrophobicContact CE1-CE2 4.16Å; Y108-F189 AromaticContact CE1-CG 3.84Å; Y108-F189 HydrophobicContact CE1-CG 3.84Å; Y108-F189 HydrophobicContact CE1-CZ 4.5Å; H109-F189 HydrophobicContact CB-CE1 3.87Å; H109-F189 HydrophobicContact CB-CZ 3.96Å; H109-F189 AromaticContact ND1-CE1 3.88Å; I185-F189 HydrophobicContact CG2-CD2 3.87Å; I185-F189 HydrophobicContact CG2-CE2 3.48Å; I185-F189 VanDerWaalsContact CG2-CE2 3.48Å; K186-F189 PolarHBondContact O-N 2.88Å; P187-F189 VanDerWaalsContact C-N 3.26Å; P187-F189 PolarHBondContact O-N 3.49Å; F189-N191 PolarHBondContact O-N 2.83Å; F189-N192 PolarHBondContact O-N 3.25Å; F189-N192 VanDerWaalsContact O-N 3.14Å
190T66.2Low74.2Confident53 Ų5371 Ų7133%0.32538%0.383SS..THydrogen-bonded Turntrans-71.221.5-170.336.30000117.5K186 P187K186-T190 HydrophobicContact CD-CG2 4.46Å; K186-T190 HydrophobicContact CG-CG2 3.64Å; K186-T190 WeakPolarHBondContact O-CG2 3.4Å; K186-T190 PolarHBondContact O-N 3.16Å; P187-T190 WeakPolarHBondContact CA-OG1 3.19Å; P187-T190 PolarHBondContact O-OG1 3.03Å; P187-T190 VanDerWaalsContact O-OG1 3.06Å
191N56.6Low73.8Confident142 Ų14267.2 Ų67.276%0.75937%0.37SS*.THydrogen-bonded Turntrans-75.7-9.5153.9-79-16.3000112.1F189F189-N191 PolarHBondContact O-N 2.83Å
192N51.4Low73.1Confident103 Ų10370 Ų7055%0.55138%0.38SS*.SBendtrans-107.4116.2177-66-17.3000110.5F189 D194F189-N192 PolarHBondContact O-N 3.25Å; F189-N192 VanDerWaalsContact O-N 3.14Å; N192-D194 PolarHBondContact O-N 3.29Å
193N48.4Very low72.5Confident152 Ų15272.8 Ų72.881%0.81341%0.413SS*.  trans-69.634.3174.7-83.2-27.6000113.6C195N193-C195 PolarHBondContact O-N 2.58Å
194D50.6Low72.1Confident109 Ų10973.2 Ų73.258%0.58341%0.408SS*.  trans-97.860.1-177.9-70.3-28.5000110.7N192N192-D194 PolarHBondContact O-N 3.29Å
195C52.6Low71.9Confident49 Ų4972.6 Ų72.633%0.33140%0.402SS..SBendtrans-82.3132.314641.20000106.8N193 K197N193-C195 PolarHBondContact O-N 2.58Å; C195-K197 PolarHBondContact O-N 3.2Å
196T52.7Low71.7Confident65 Ų6573 Ų7340%0.39940%0.404SS..  trans-54.6106167.839.40000107.1G198 I206T196-G198 PolarHBondContact O-N 3.26Å; T196-I206 PolarHBondContact OG1-O 3.25Å; T196-I206 VanDerWaalsContact OG1-O 3.07Å
197K53.6Low71.8Confident202 Ų20270.9 Ų70.988%0.87840%0.395SS*.THydrogen-bonded Turntrans-59.4107.2-170.7-74.8-176.9177.2178.40109.9C195C195-K197 PolarHBondContact O-N 3.2Å
198G66Low72Confident59 Ų5968.8 Ų68.861%0.60838%0.382SS*.THydrogen-bonded Turntrans118.7-10.2156.400000117.3T196 H200T196-G198 PolarHBondContact O-N 3.26Å; G198-H200 PolarHBondContact O-CD2 2.84Å
199L74.4Confident72.1Confident51 Ų5173.9 Ų73.927%0.26740%0.403SS..  trans-97.2127.9179.6-74.9158.4000111.3T146 F150 I206T146-L199 HydrophobicContact CG2-CD1 3.31Å; F150-L199 HydrophobicContact CD1-CD2 3.91Å; F150-L199 HydrophobicContact CE1-CD2 3.82Å; L199-I206 HydrophobicContact CB-CB 4.17Å; L199-I206 HydrophobicContact CB-CG1 3.73Å; L199-I206 PolarHBondContact O-N 3.49Å; L199-I206 VanDerWaalsContact O-N 3.13Å
200H82.4Confident72.5Confident101 Ų10175.4 Ų75.447%0.46841%0.411SS..EExtended strand (participates in β ladder)trans-135.4146.9179.9-53.8-84.4000110.4G198 Y204 D205G198-H200 PolarHBondContact O-CD2 2.84Å; H200-Y204 CarbonylContact C-O 3.54Å; H200-Y204 WeakPolarHBondContact CA-O 2.86Å; H200-D205 IonicContact CE1-OD1 2.84Å; H200-D205 PolarHBondContact CE1-OD1 3.39Å; H200-D205 IonicContact ND1-OD1 2.83Å; H200-D205 PolarHBondContact ND1-OD1 3.45Å
201Y83.6Confident73.9Confident12 Ų1272.9 Ų72.95%0.04740%0.395CS..EExtended strand (participates in β ladder)trans-130.6122.7170.7179.5-98.4000109F154 L175 L179 G203 Y204F154-Y201 HydrophobicContact CB-CD2 3.96Å; F154-Y201 HydrophobicContact CB-CE2 3.92Å; F154-Y201 HydrophobicContact CD1-CE2 4.16Å; F154-Y201 HydrophobicContact CG-CE2 4.37Å; F154-Y201 WeakPolarHBondContact O-CD2 3.31Å; F154-Y201 VanDerWaalsContact O-CE2 3.31Å; F154-Y201 WeakPolarHBondContact O-CE2 3.34Å; L175-Y201 HydrophobicContact CD2-CD1 3.59Å; L175-Y201 HydrophobicContact CD2-CD2 3.75Å; L175-Y201 HydrophobicContact CD2-CE1 3.85Å; L175-Y201 HydrophobicContact CD2-CE2 4.01Å; L175-Y201 HydrophobicContact CD2-CG 3.53Å; L175-Y201 HydrophobicContact CG-CD1 4.03Å; L175-Y201 HydrophobicContact CG-CE1 4.32Å; L175-Y201 HydrophobicContact CG-CG 4.35Å; L179-Y201 HydrophobicContact CD1-CD1 3.63Å; L179-Y201 HydrophobicContact CD1-CG 4.2Å; Y201-G203 PolarHBondContact O-N 2.81Å; Y201-G203 VanDerWaalsContact O-N 3.1Å; Y201-Y204 PolarHBondContact N-O 3.13Å; Y201-Y204 WeakPolarHBondContact O-CB 3.48Å; Y201-Y204 PolarHBondContact O-N 3.36Å
202K80.8Confident75.7Confident69 Ų6966.5 Ų66.530%0.336%0.361SS..THydrogen-bonded Turntrans45.641.5-174.1-65.5-169.3170.8-168.90113.4Y204 D436 D438K202-Y204 VanDerWaalsContact C-N 3.28Å; K202-Y204 WeakPolarHBondContact O-CD2 3.47Å; K202-Y204 PolarHBondContact O-N 2.9Å; K202-D436 PolarHBondContact NZ-O 3.14Å; K202-D438 IonicContact NZ-OD1 3.83Å; K202-D438 PolarHBondContact NZ-OD1 2.99Å; K202-D438 IonicContact NZ-OD2 3.86Å; K202-D438 PolarHBondContact NZ-OD2 3.34Å
203G79.8Confident77.9Confident72 Ų7262.2 Ų62.274%0.74234%0.337SS*.THydrogen-bonded Turntrans79.8-4.7179.900000116.1Y201Y201-G203 PolarHBondContact O-N 2.81Å; Y201-G203 VanDerWaalsContact O-N 3.1Å
204Y83.3Confident80.2Confident97 Ų9755 Ų5538%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-90.2139.3174.2-66.3-88.8000111.5L179 N183 H200 Y201 K202L179-Y204 HydrophobicContact CB-CG 4.31Å; N183-Y204 HydrophobicContact CB-CD1 4.28Å; N183-Y204 HydrophobicContact CB-CE1 4.3Å; H200-Y204 CarbonylContact C-O 3.54Å; H200-Y204 WeakPolarHBondContact CA-O 2.86Å; Y201-Y204 PolarHBondContact N-O 3.13Å; Y201-Y204 WeakPolarHBondContact O-CB 3.48Å; Y201-Y204 PolarHBondContact O-N 3.36Å; K202-Y204 VanDerWaalsContact C-N 3.28Å; K202-Y204 WeakPolarHBondContact O-CD2 3.47Å; K202-Y204 PolarHBondContact O-N 2.9Å
205D85.1Confident82.5Confident43 Ų4350.3 Ų50.323%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-68.5135.5172.9-63.5-27000111L179 K186 H200L179-D205 VanDerWaalsContact CD2-O 3.3Å; L179-D205 WeakPolarHBondContact CD2-O 3.36Å; K186-D205 IonicContact NZ-OD2 2.94Å; K186-D205 PolarHBondContact NZ-OD2 2.85Å; H200-D205 IonicContact CE1-OD1 2.84Å; H200-D205 PolarHBondContact CE1-OD1 3.39Å; H200-D205 IonicContact ND1-OD1 2.83Å; H200-D205 PolarHBondContact ND1-OD1 3.45Å
206I89Confident84.6Confident8 Ų848.2 Ų48.24%0.04126%0.259CS..PPolyproline II helixtrans-66131.7167.4-59.2-51.7000109.5L143 F150 L175 L179 T196 L199L143-I206 HydrophobicContact CD2-CD1 4.24Å; L143-I206 HydrophobicContact CD2-CG2 4.08Å; F150-I206 HydrophobicContact CE2-CD1 3.86Å; F150-I206 HydrophobicContact CE2-CG1 4.28Å; F150-I206 HydrophobicContact CZ-CD1 3.95Å; F150-I206 HydrophobicContact CZ-CG1 4.19Å; L175-I206 HydrophobicContact CD1-CD1 4.35Å; L179-I206 HydrophobicContact CD2-CD1 3.88Å; T196-I206 PolarHBondContact OG1-O 3.25Å; T196-I206 VanDerWaalsContact OG1-O 3.07Å; L199-I206 HydrophobicContact CB-CB 4.17Å; L199-I206 HydrophobicContact CB-CG1 3.73Å; L199-I206 PolarHBondContact O-N 3.49Å; L199-I206 VanDerWaalsContact O-N 3.13Å
207P91.6Very high86.8Confident6 Ų645.1 Ų45.14%0.03924%0.24CC..PPolyproline II helixtrans-71.3158.9179.425.8-33.7000113L178 W182 F211L178-P207 HydrophobicContact CD1-CG 4.16Å; L178-P207 HydrophobicContact CD2-CG 3.94Å; L178-P207 HydrophobicContact CG-CG 3.97Å; W182-P207 HydrophobicContact CB-CB 4.05Å; W182-P207 HydrophobicContact CB-CG 4.38Å; W182-P207 HydrophobicContact CD2-CB 3.76Å; W182-P207 HydrophobicContact CE3-CB 4.29Å; W182-P207 HydrophobicContact CG-CB 3.64Å; W182-P207 HydrophobicContact CG-CG 4.39Å; P207-F211 HydrophobicContact CB-CB 4.01Å; P207-F211 HydrophobicContact CB-CD1 3.48Å; P207-F211 VanDerWaalsContact CB-CD1 3.48Å; P207-F211 HydrophobicContact CB-CE1 4.3Å; P207-F211 HydrophobicContact CB-CG 4Å; P207-F211 HydrophobicContact CG-CD1 3.92Å
208P90.4Very high88.9Confident8 Ų835.5 Ų35.55%0.05220%0.198CC..PPolyproline II helixtrans-62.2153.117127.7-34000111.6Y108 W182 E210 F211 L212Y108-P208 HydrophobicContact CE2-CG 4.37Å; Y108-P208 WeakPolarHBondContact OH-CG 3.25Å; W182-P208 HydrophobicContact CH2-CG 4.09Å; W182-P208 HydrophobicContact CZ2-CG 4.4Å; P208-E210 PolarHBondContact O-N 2.95Å; P208-E210 VanDerWaalsContact O-N 3.12Å; P208-F211 HydrophobicContact CG-CB 3.98Å; P208-F211 WeakPolarHBondContact O-CA 3.42Å; P208-F211 WeakPolarHBondContact O-CB 3.48Å; P208-F211 PolarHBondContact O-N 2.9Å; P208-L212 PolarHBondContact O-N 3.41Å; P208-L212 VanDerWaalsContact O-N 3.13Å
209K90.8Very high90.3Very high118 Ų11833.8 Ų33.851%0.51318%0.175SC..Hα-helixtrans-57.4-30.6-176.666.7-180-177.2179.80113.5L144 F211 L212 W213L144-K209 HydrophobicContact CD2-CB 3.99Å; K209-F211 VanDerWaalsContact C-N 3.32Å; K209-L212 WeakPolarHBondContact O-CB 3.14Å; K209-L212 PolarHBondContact O-N 3.31Å; K209-W213 WeakPolarHBondContact O-CB 3.31Å; K209-W213 PolarHBondContact O-N 3.33Å
210E92.7Very high91.2Very high65 Ų6532.1 Ų32.130%0.30417%0.168SC..Hα-helixtrans-72.3-29177.7-6476.3-169.300112Y108 C112 P208 A214Y108-E210 HydrophobicContact CD2-CB 4.35Å; Y108-E210 HydrophobicContact CE2-CB 3.97Å; C112-E210 WeakPolarHBondContact SG-CB 3.4Å; P208-E210 PolarHBondContact O-N 2.95Å; P208-E210 VanDerWaalsContact O-N 3.12Å; E210-A214 PolarHBondContact O-N 3.24Å
211F95.2Very high91.9Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-73.5-42.6172.2-178.2-87.4000110.6I104 Y108 L178 W182 I185 P207 P208 K209 W213 A214 W215I104-F211 HydrophobicContact CG2-CD2 4.41Å; I104-F211 HydrophobicContact CG2-CE2 3.7Å; I104-F211 HydrophobicContact CG2-CZ 3.77Å; Y108-F211 HydrophobicContact CD1-CD2 4.1Å; Y108-F211 VanDerWaalsContact CD2-CA 3.44Å; Y108-F211 HydrophobicContact CD2-CB 3.8Å; Y108-F211 HydrophobicContact CD2-CD2 4.11Å; Y108-F211 HydrophobicContact CD2-CG 4.45Å; Y108-F211 HydrophobicContact CE1-CD2 4.41Å; Y108-F211 HydrophobicContact CE2-CB 3.63Å; Y108-F211 HydrophobicContact CE2-CD2 4.41Å; Y108-F211 HydrophobicContact CG-CB 4.47Å; Y108-F211 AromaticContact CG-CD2 3.94Å; Y108-F211 HydrophobicContact CG-CD2 3.94Å; L178-F211 HydrophobicContact CD1-CD1 4.04Å; L178-F211 HydrophobicContact CD1-CE1 3.85Å; W182-F211 VanDerWaalsContact CA-CZ 3.48Å; W182-F211 HydrophobicContact CB-CD1 4.2Å; W182-F211 HydrophobicContact CB-CE1 3.66Å; W182-F211 HydrophobicContact CB-CZ 3.99Å; W182-F211 HydrophobicContact CD2-CD1 4.46Å; W182-F211 HydrophobicContact CD2-CG 4.45Å; W182-F211 HydrophobicContact CE3-CB 4.32Å; W182-F211 AromaticContact CE3-CD1 4Å; W182-F211 HydrophobicContact CE3-CD1 4Å; W182-F211 AromaticContact CE3-CD2 3.44Å; W182-F211 HydrophobicContact CE3-CD2 3.44Å; W182-F211 VanDerWaalsContact CE3-CD2 3.44Å; W182-F211 HydrophobicContact CE3-CE1 4.16Å; W182-F211 AromaticContact CE3-CE2 3.64Å; W182-F211 HydrophobicContact CE3-CE2 3.64Å; W182-F211 AromaticContact CE3-CG 3.63Å; W182-F211 HydrophobicContact CE3-CG 3.63Å; W182-F211 AromaticContact CE3-CZ 4Å; W182-F211 HydrophobicContact CE3-CZ 4Å; W182-F211 HydrophobicContact CG-CE1 4.44Å; W182-F211 HydrophobicContact CZ3-CB 4.34Å; W182-F211 AromaticContact CZ3-CD2 3.71Å; W182-F211 HydrophobicContact CZ3-CD2 3.71Å; W182-F211 HydrophobicContact CZ3-CE2 4.22Å; W182-F211 HydrophobicContact CZ3-CG 4.03Å; I185-F211 HydrophobicContact CB-CE2 3.97Å; I185-F211 HydrophobicContact CB-CZ 4.45Å; I185-F211 HydrophobicContact CD1-CE2 3.76Å; I185-F211 HydrophobicContact CD1-CZ 3.87Å; I185-F211 HydrophobicContact CG1-CE2 4.48Å; I185-F211 HydrophobicContact CG2-CE2 3.91Å; P207-F211 HydrophobicContact CB-CB 4.01Å; P207-F211 HydrophobicContact CB-CD1 3.48Å; P207-F211 VanDerWaalsContact CB-CD1 3.48Å; P207-F211 HydrophobicContact CB-CE1 4.3Å; P207-F211 HydrophobicContact CB-CG 4Å; P207-F211 HydrophobicContact CG-CD1 3.92Å; P208-F211 HydrophobicContact CG-CB 3.98Å; P208-F211 WeakPolarHBondContact O-CA 3.42Å; P208-F211 WeakPolarHBondContact O-CB 3.48Å; P208-F211 PolarHBondContact O-N 2.9Å; K209-F211 VanDerWaalsContact C-N 3.32Å; F211-W213 VanDerWaalsContact C-N 3.28Å; F211-W213 PolarHBondContact O-N 3.31Å; F211-A214 PolarHBondContact O-N 3.46Å; F211-A214 VanDerWaalsContact O-N 3.14Å; F211-W215 WeakPolarHBondContact O-CB 2.97Å; F211-W215 PolarHBondContact O-N 3.29Å
212L95.7Very high92.5Very high8 Ų830.9 Ų30.94%0.04216%0.164CC..Hα-helixtrans-54.9-45.9170.2172.762.6000111.1L143 L144 L178 P208 K209 A214 W215 C216L143-L212 HydrophobicContact CB-CD2 3.91Å; L143-L212 HydrophobicContact CD1-CD1 3.98Å; L143-L212 HydrophobicContact CD1-CD2 4.16Å; L144-L212 HydrophobicContact CG-CD2 4.41Å; L178-L212 HydrophobicContact CD1-CD1 4.39Å; L178-L212 HydrophobicContact CD2-CD1 3.93Å; P208-L212 PolarHBondContact O-N 3.41Å; P208-L212 VanDerWaalsContact O-N 3.13Å; K209-L212 WeakPolarHBondContact O-CB 3.14Å; K209-L212 PolarHBondContact O-N 3.31Å; L212-A214 PolarHBondContact O-N 3.13Å; L212-W215 PolarHBondContact O-N 3.41Å; L212-C216 PolarHBondContact O-N 3.33Å; L212-C216 PolarHBondContact O-SG 2.96Å; L212-C216 VanDerWaalsContact O-SG 3.35Å
213W96.4Very high93.2Very high13 Ų1328.9 Ų28.95%0.04916%0.157CC..Hα-helixtrans-57.1-46174.7175.789000112.6M107 K111 L128 L131 P132 Y135 K209 F211 W215 T217M107-W213 HydrophobicContact CE-CH2 4.03Å; M107-W213 HydrophobicContact CE-CZ3 4.37Å; K111-W213 HydrophobicContact CB-CE3 4.02Å; K111-W213 HydrophobicContact CB-CZ3 3.77Å; K111-W213 HydrophobicContact CD-CD2 4.23Å; K111-W213 HydrophobicContact CD-CE3 3.88Å; K111-W213 HydrophobicContact CD-CH2 4.04Å; K111-W213 HydrophobicContact CD-CZ2 4.32Å; K111-W213 HydrophobicContact CD-CZ3 3.79Å; K111-W213 HydrophobicContact CG-CD2 4.46Å; K111-W213 HydrophobicContact CG-CE3 3.79Å; K111-W213 HydrophobicContact CG-CZ3 3.91Å; L128-W213 HydrophobicContact CD2-CH2 3.73Å; L128-W213 HydrophobicContact CD2-CZ3 4.32Å; L131-W213 HydrophobicContact CB-CZ2 4.04Å; L131-W213 HydrophobicContact CD1-CH2 3.88Å; L131-W213 HydrophobicContact CD1-CZ2 3.94Å; P132-W213 PolarHBondContact O-NE1 3.18Å; Y135-W213 AromaticContact CD2-CD1 3.97Å; Y135-W213 AromaticContact CE2-CD1 3.87Å; Y135-W213 HydrophobicContact CE2-CG 4.5Å; Y135-W213 AromaticContact CE2-NE1 3.88Å; K209-W213 WeakPolarHBondContact O-CB 3.31Å; K209-W213 PolarHBondContact O-N 3.33Å; F211-W213 VanDerWaalsContact C-N 3.28Å; F211-W213 PolarHBondContact O-N 3.31Å; W213-W215 VanDerWaalsContact C-N 3.35Å; W213-T217 WeakPolarHBondContact O-CB 3.37Å; W213-T217 PolarHBondContact O-N 2.88Å; W213-T217 PolarHBondContact O-OG1 3.26Å
214A98Very high93.8Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-65.8-39.6178.700000111.8I104 M107 Y108 E210 F211 L212 T217 V218I104-A214 HydrophobicContact CG2-CB 4.38Å; M107-A214 HydrophobicContact CB-CB 4.03Å; Y108-A214 HydrophobicContact CD2-CB 4.5Å; E210-A214 PolarHBondContact O-N 3.24Å; F211-A214 PolarHBondContact O-N 3.46Å; F211-A214 VanDerWaalsContact O-N 3.14Å; L212-A214 PolarHBondContact O-N 3.13Å; A214-T217 WeakPolarHBondContact O-CB 2.95Å; A214-T217 PolarHBondContact O-N 2.83Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 2.9Å
215W97.9Very high94.4Very high10 Ų1024.1 Ų24.14%0.03813%0.127CC..Hα-helixtrans-61.4-52.6175.8-16897000111I104 L174 R177 L178 F211 L212 W213 T217 V218 N219I104-W215 HydrophobicContact CD1-CG 4.25Å; I104-W215 HydrophobicContact CG2-CB 4.48Å; L174-W215 HydrophobicContact CD2-CH2 3.77Å; R177-W215 HydrophobicContact CB-CZ2 4.15Å; L178-W215 HydrophobicContact CB-CD2 4.45Å; L178-W215 HydrophobicContact CD1-CB 3.6Å; L178-W215 HydrophobicContact CD1-CD2 3.85Å; L178-W215 HydrophobicContact CD1-CG 3.38Å; F211-W215 WeakPolarHBondContact O-CB 2.97Å; F211-W215 PolarHBondContact O-N 3.29Å; L212-W215 PolarHBondContact O-N 3.41Å; W213-W215 VanDerWaalsContact C-N 3.35Å; W215-T217 VanDerWaalsContact C-N 3.26Å; W215-T217 PolarHBondContact O-N 3.36Å; W215-V218 PolarHBondContact O-N 3.49Å; W215-N219 HydrophobicContact CD2-CB 4.5Å; W215-N219 HydrophobicContact CE3-CB 3.99Å; W215-N219 HydrophobicContact CH2-CB 4.09Å; W215-N219 WeakPolarHBondContact CH2-OD1 3.45Å; W215-N219 HydrophobicContact CZ3-CB 3.76Å; W215-N219 VanDerWaalsContact O-CB 3.27Å; W215-N219 WeakPolarHBondContact O-CB 3.42Å; W215-N219 PolarHBondContact O-N 2.92Å
216C97.6Very high94.8Very high5 Ų523.8 Ų23.83%0.03413%0.127CC..Hα-helixtrans-62.1-34.8177.1-64.30000112Y135 S140 L212 N219 S220Y135-C216 HydrophobicContact CD1-CB 3.86Å; Y135-C216 HydrophobicContact CD2-CB 3.53Å; Y135-C216 HydrophobicContact CE1-CB 4.29Å; Y135-C216 HydrophobicContact CE2-CB 4.03Å; Y135-C216 HydrophobicContact CG-CB 3.45Å; Y135-C216 VanDerWaalsContact CG-CB 3.45Å; S140-C216 PolarHBondContact OG-SG 2.77Å; S140-C216 VanDerWaalsContact OG-SG 3.34Å; L212-C216 PolarHBondContact O-N 3.33Å; L212-C216 PolarHBondContact O-SG 2.96Å; L212-C216 VanDerWaalsContact O-SG 3.35Å; C216-N219 PolarHBondContact O-N 3.09Å; C216-S220 WeakPolarHBondContact O-CB 3.41Å; C216-S220 PolarHBondContact O-N 2.82Å; C216-S220 PolarHBondContact O-OG 3.3Å
217T97.5Very high94.9Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-59.8-49.1174.6-59.70000111.7M107 L131 Y135 W213 A214 W215 R221M107-T217 HydrophobicContact CE-CG2 3.92Å; L131-T217 HydrophobicContact CD1-CG2 3.85Å; L131-T217 HydrophobicContact CD2-CG2 4.44Å; Y135-T217 WeakPolarHBondContact CE2-OG1 3.47Å; Y135-T217 VanDerWaalsContact OH-CA 3.27Å; Y135-T217 WeakPolarHBondContact OH-CA 3.38Å; Y135-T217 PolarHBondContact OH-OG1 2.99Å; W213-T217 WeakPolarHBondContact O-CB 3.37Å; W213-T217 PolarHBondContact O-N 2.88Å; W213-T217 PolarHBondContact O-OG1 3.26Å; A214-T217 WeakPolarHBondContact O-CB 2.95Å; A214-T217 PolarHBondContact O-N 2.83Å; W215-T217 VanDerWaalsContact C-N 3.26Å; W215-T217 PolarHBondContact O-N 3.36Å; T217-R221 WeakPolarHBondContact O-CB 3.49Å; T217-R221 WeakPolarHBondContact O-CG 3.31Å; T217-R221 PolarHBondContact O-N 3.08Å
218V97.9Very high94.7Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-69.1-45.4178.6175.90000110.9L100 L103 I104 M107 A214 W215 S220 R221 C222 L272L100-V218 HydrophobicContact CD2-CG1 3.74Å; L103-V218 HydrophobicContact CB-CG1 3.87Å; L103-V218 HydrophobicContact CB-CG2 3.82Å; L103-V218 HydrophobicContact CD1-CG1 4.2Å; I104-V218 HydrophobicContact CB-CG2 4.42Å; I104-V218 HydrophobicContact CG1-CB 3.76Å; I104-V218 HydrophobicContact CG1-CG1 4.05Å; I104-V218 HydrophobicContact CG1-CG2 3.74Å; M107-V218 HydrophobicContact CG-CG2 4.1Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 2.9Å; W215-V218 PolarHBondContact O-N 3.49Å; V218-S220 VanDerWaalsContact C-N 3.33Å; V218-S220 PolarHBondContact O-N 3.41Å; V218-R221 PolarHBondContact O-N 2.99Å; V218-C222 HydrophobicContact CG1-CB 4.25Å; V218-C222 VanDerWaalsContact O-CB 3.29Å; V218-C222 WeakPolarHBondContact O-CB 3.05Å; V218-C222 PolarHBondContact O-N 3.33Å; V218-C222 PolarHBondContact O-SG 2.83Å; V218-L272 HydrophobicContact CG2-CD1 4.08Å
219N95.5Very high94.6Very high23 Ų2330 Ų3012%0.12315%0.153CC..Hα-helixtrans-60.8-39.8-175-163.671000112.9R177 W215 C216 E327R177-N219 PolarHBondContact NH2-OD1 3.38Å; W215-N219 HydrophobicContact CD2-CB 4.5Å; W215-N219 HydrophobicContact CE3-CB 3.99Å; W215-N219 HydrophobicContact CH2-CB 4.09Å; W215-N219 WeakPolarHBondContact CH2-OD1 3.45Å; W215-N219 HydrophobicContact CZ3-CB 3.76Å; W215-N219 VanDerWaalsContact O-CB 3.27Å; W215-N219 WeakPolarHBondContact O-CB 3.42Å; W215-N219 PolarHBondContact O-N 2.92Å; C216-N219 PolarHBondContact O-N 3.09Å; N219-E327 PolarHBondContact ND2-O 3.21Å; N219-E327 PolarHBondContact ND2-OE2 3.04Å; N219-E327 PolarHBondContact OD1-OE2 3.19Å
220S95.2Very high94.5Very high17 Ų1726.5 Ų26.512%0.11914%0.143CC..Hα-helixtrans-91.6-12.3-176.861.50000114.9Y135 C216 V218Y135-S220 WeakPolarHBondContact CE1-OG 3.48Å; C216-S220 WeakPolarHBondContact O-CB 3.41Å; C216-S220 PolarHBondContact O-N 2.82Å; C216-S220 PolarHBondContact O-OG 3.3Å; V218-S220 VanDerWaalsContact C-N 3.33Å; V218-S220 PolarHBondContact O-N 3.41Å
221R96.4Very high94.4Very high50 Ų5027.6 Ų27.619%0.18915%0.151CC..Hα-helixtrans-128.6-12.3-168.9-59.7173.5169-73-22.9115.3P132 Y135 T217 V218 L272 D277P132-R221 VanDerWaalsContact CG-NH2 3.27Å; Y135-R221 PolarHBondContact OH-NE 2.97Å; Y135-R221 VanDerWaalsContact OH-NE 3.11Å; T217-R221 WeakPolarHBondContact O-CB 3.49Å; T217-R221 WeakPolarHBondContact O-CG 3.31Å; T217-R221 PolarHBondContact O-N 3.08Å; V218-R221 PolarHBondContact O-N 2.99Å; R221-L272 HydrophobicContact CB-CD2 3.78Å; R221-D277 HydrophobicContact CB-CB 4Å; R221-D277 WeakPolarHBondContact CD-OD2 3.47Å; R221-D277 HydrophobicContact CG-CB 4.31Å; R221-D277 IonicContact CZ-OD2 3.17Å; R221-D277 IonicContact NE-OD2 3.48Å; R221-D277 PolarHBondContact NH1-O 3.16Å; R221-D277 IonicContact NH1-OD2 3.92Å; R221-D277 PolarHBondContact NH1-OD2 3.36Å
222C95.6Very high94.3Very high36 Ų3631.2 Ų31.224%0.24318%0.176CC..  trans-71.6144.8177.374.60000111.1L103 V218 S271 L272L103-C222 HydrophobicContact CD1-CB 4.33Å; V218-C222 HydrophobicContact CG1-CB 4.25Å; V218-C222 VanDerWaalsContact O-CB 3.29Å; V218-C222 WeakPolarHBondContact O-CB 3.05Å; V218-C222 PolarHBondContact O-N 3.33Å; V218-C222 PolarHBondContact O-SG 2.83Å; C222-S271 CarbonylContact C-O 3.48Å; C222-S271 VanDerWaalsContact CA-O 3.29Å; C222-S271 WeakPolarHBondContact CA-O 3.11Å; C222-L272 HydrophobicContact CB-CD2 4.27Å
223V95Very high94.1Very high27 Ų2735.8 Ų35.816%0.16420%0.197CC..EExtended strand (participates in β ladder)trans-125.1140.8-178.658.80000110.5C225 I270 S271 I273 F276 L289V223-C225 PolarHBondContact O-N 2.9Å; V223-I270 CarbonylContact O-C 3.02Å; V223-I270 WeakPolarHBondContact O-CA 3.41Å; V223-S271 PolarHBondContact N-O 3.24Å; V223-S271 PolarHBondContact O-N 2.88Å; V223-I273 HydrophobicContact CG1-CD1 3.79Å; V223-I273 HydrophobicContact CG1-CG1 4.1Å; V223-F276 HydrophobicContact CB-CD1 4.45Å; V223-F276 HydrophobicContact CB-CE1 3.91Å; V223-F276 HydrophobicContact CG1-CD1 4.07Å; V223-F276 HydrophobicContact CG1-CE1 3.92Å; V223-F276 HydrophobicContact CG2-CE1 3.75Å; V223-F276 HydrophobicContact CG2-CZ 4.09Å; V223-L289 HydrophobicContact CG2-CD2 3.73Å
224S93.5Very high94Very high69 Ų6935.1 Ų35.148%0.48320%0.195SC..EExtended strand (participates in β ladder)trans-74.8120.1171.7-1750000110.3
225C94.5Very high93.7Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-108.2132.3-178.1-60.70000110.2V223 F227 H268 T269 L298V223-C225 PolarHBondContact O-N 2.9Å; C225-F227 HydrophobicContact CB-CD1 3.6Å; C225-F227 HydrophobicContact CB-CE1 3.41Å; C225-F227 VanDerWaalsContact CB-CE1 3.41Å; C225-F227 HydrophobicContact CB-CZ 4.43Å; C225-F227 PolarHBondContact O-N 2.77Å; C225-H268 CarbonylContact O-C 3.55Å; C225-H268 WeakPolarHBondContact O-CA 3.22Å; C225-H268 WeakPolarHBondContact O-CB 3.42Å; C225-T269 HydrophobicContact CB-CG2 4.1Å; C225-T269 WeakPolarHBondContact CB-O 3.2Å; C225-T269 PolarHBondContact N-O 3.22Å; C225-T269 PolarHBondContact O-N 3.36Å; C225-L298 HydrophobicContact CB-CD2 4.35Å
226P93.6Very high93.3Very high37 Ų3743.5 Ų43.524%0.2423%0.234CC..SBendtrans-82.452.5-17636.3-38.2000112.2L298P226-L298 HydrophobicContact CG-CD1 4.26Å
227F92Very high93Very high15 Ų1544 Ų447%0.06624%0.236CC..  trans-147.3160.5173.675.1-90.6000111.5L65 V71 T73 C225 E229 N267 T269 L291 L298L65-F227 HydrophobicContact CD2-CD1 4.41Å; L65-F227 HydrophobicContact CD2-CE1 3.84Å; L65-F227 HydrophobicContact CD2-CE2 4.4Å; L65-F227 HydrophobicContact CD2-CZ 3.85Å; V71-F227 HydrophobicContact CG1-CE1 4.35Å; V71-F227 HydrophobicContact CG1-CZ 3.93Å; T73-F227 HydrophobicContact CG2-CE2 4.2Å; T73-F227 HydrophobicContact CG2-CZ 3.83Å; C225-F227 HydrophobicContact CB-CD1 3.6Å; C225-F227 HydrophobicContact CB-CE1 3.41Å; C225-F227 VanDerWaalsContact CB-CE1 3.41Å; C225-F227 HydrophobicContact CB-CZ 4.43Å; C225-F227 PolarHBondContact O-N 2.77Å; F227-E229 HydrophobicContact CE2-CB 4.36Å; F227-N267 CarbonylContact C-O 3.48Å; F227-N267 PolarHBondContact N-O 3.29Å; F227-T269 HydrophobicContact CD1-CG2 4.49Å; F227-T269 HydrophobicContact CD2-CG2 4.41Å; F227-T269 HydrophobicContact CE1-CG2 4.15Å; F227-T269 HydrophobicContact CE2-CG2 4.06Å; F227-T269 HydrophobicContact CZ-CG2 3.91Å; F227-T269 WeakPolarHBondContact O-CG2 3.5Å; F227-L291 HydrophobicContact CB-CD1 3.72Å; F227-L291 HydrophobicContact CB-CD2 3.88Å; F227-L291 HydrophobicContact CB-CG 3.99Å; F227-L291 HydrophobicContact CD1-CD2 4.42Å; F227-L291 HydrophobicContact CG-CD2 4.35Å; F227-L298 HydrophobicContact CD1-CD1 4.41Å
228K86.7Confident92.6Very high113 Ų11344.5 Ų44.549%0.49124%0.238SC..  trans-124.1140.3171.6-171.5172.8-176.5176.60108.1E264K228-E264 PolarHBondContact NZ-O 3.38Å
229E88.2Confident92Very high23 Ų2349 Ų4911%0.10726%0.263CS..  trans-117.6154.2176.278.7-164.5107.600111T73 L75 R76 F227 Q233 V234T73-E229 WeakPolarHBondContact CB-OE1 3.45Å; T73-E229 WeakPolarHBondContact CG2-OE1 3.42Å; T73-E229 PolarHBondContact OG1-OE1 3.44Å; L75-E229 HydrophobicContact CB-CG 4.25Å; L75-E229 HydrophobicContact CD2-CG 3.79Å; R76-E229 VanDerWaalsContact CG-OE2 3.26Å; R76-E229 WeakPolarHBondContact CG-OE2 3.27Å; R76-E229 IonicContact CZ-OE2 2.93Å; R76-E229 IonicContact NE-OE1 3.96Å; R76-E229 IonicContact NE-OE2 3.88Å; R76-E229 PolarHBondContact NE-OE2 3.05Å; R76-E229 IonicContact NH2-OE2 3.21Å; F227-E229 HydrophobicContact CE2-CB 4.36Å; E229-Q233 VanDerWaalsContact CA-OE1 3.24Å; E229-V234 HydrophobicContact CG-CG2 4.01Å; E229-V234 WeakPolarHBondContact OE2-CG2 3.47Å
230S89.9Confident91.5Very high45 Ų4549.5 Ų49.532%0.31527%0.265SS..  trans-99.2156.717670.20000111.6S232 Q233 V234S230-S232 PolarHBondContact O-N 3.36Å; S230-S232 PolarHBondContact OG-OG 3.33Å; S230-Q233 WeakPolarHBondContact O-CB 3.04Å; S230-Q233 PolarHBondContact O-N 2.86Å; S230-Q233 WeakPolarHBondContact OG-CG 3.41Å; S230-Q233 PolarHBondContact OG-N 2.69Å; S230-Q233 PolarHBondContact OG-OE1 3.3Å; S230-V234 PolarHBondContact O-N 3.02Å; S230-V234 VanDerWaalsContact O-N 3.1Å
231L90.4Very high90.9Very high89 Ų8949.1 Ų49.147%0.46626%0.261SS..Hα-helixtrans-56.3-38.2173.1-177.563.5000111.8Y79 Q233 V234 Q235Y79-L231 HydrophobicContact CD2-CD1 3.61Å; Y79-L231 HydrophobicContact CE2-CD1 3.95Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 3.25Å; L231-V234 PolarHBondContact O-N 3.48Å; L231-Q235 HydrophobicContact CG-CG 4.48Å; L231-Q235 WeakPolarHBondContact O-CB 3.3Å; L231-Q235 VanDerWaalsContact O-CG 3.29Å; L231-Q235 WeakPolarHBondContact O-CG 3.18Å; L231-Q235 PolarHBondContact O-N 2.7Å
232S92.8Very high90.2Very high76 Ų7648.8 Ų48.853%0.53126%0.263SS..Hα-helixtrans-63.8-35.4177.1550000113.2S230 H236S230-S232 PolarHBondContact O-N 3.36Å; S230-S232 PolarHBondContact OG-OG 3.33Å; S232-H236 PolarHBondContact O-N 3.22Å; S232-H236 VanDerWaalsContact O-N 3.12Å
233Q92.4Very high89.4Confident103 Ų10349.5 Ų49.548%0.48127%0.268SS..Hα-helixtrans-66.4-48.3173-73.2167.6-30.900110.1E229 S230 L231 Q235 H236 L237E229-Q233 VanDerWaalsContact CA-OE1 3.24Å; S230-Q233 WeakPolarHBondContact O-CB 3.04Å; S230-Q233 PolarHBondContact O-N 2.86Å; S230-Q233 WeakPolarHBondContact OG-CG 3.41Å; S230-Q233 PolarHBondContact OG-N 2.69Å; S230-Q233 PolarHBondContact OG-OE1 3.3Å; L231-Q233 VanDerWaalsContact C-N 3.32Å; L231-Q233 PolarHBondContact O-N 3.25Å; Q233-Q235 VanDerWaalsContact C-N 3.34Å; Q233-Q235 PolarHBondContact O-N 3.34Å; Q233-H236 WeakPolarHBondContact O-CB 3.32Å; Q233-H236 PolarHBondContact O-N 3.36Å; Q233-L237 WeakPolarHBondContact O-CG 3.13Å; Q233-L237 PolarHBondContact O-N 2.85Å
234V93.2Very high88.3Confident0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-59.3-43.6178.5177.90000111.9L68 L75 R76 Y79 E229 S230 L231 H236 L237 Y238L68-V234 HydrophobicContact CD1-CG1 4.47Å; L75-V234 HydrophobicContact CB-CG2 4.42Å; L75-V234 HydrophobicContact CD2-CG2 3.85Å; L75-V234 HydrophobicContact CG-CG2 3.94Å; R76-V234 HydrophobicContact CG-CG1 4.25Å; R76-V234 HydrophobicContact CG-CG2 3.9Å; Y79-V234 HydrophobicContact CD1-CG1 3.99Å; Y79-V234 HydrophobicContact CD2-CG1 4.09Å; Y79-V234 HydrophobicContact CG-CG1 3.6Å; E229-V234 HydrophobicContact CG-CG2 4.01Å; E229-V234 WeakPolarHBondContact OE2-CG2 3.47Å; S230-V234 PolarHBondContact O-N 3.02Å; S230-V234 VanDerWaalsContact O-N 3.1Å; L231-V234 PolarHBondContact O-N 3.48Å; V234-H236 VanDerWaalsContact C-N 3.3Å; V234-H236 PolarHBondContact O-N 3.08Å; V234-L237 PolarHBondContact O-N 3.04Å; V234-Y238 VanDerWaalsContact O-CB 3.32Å; V234-Y238 WeakPolarHBondContact O-CB 3.41Å; V234-Y238 PolarHBondContact O-N 3.47Å
235Q91.6Very high87.1Confident73 Ų7353.8 Ų53.834%0.34128%0.28SS..Hα-helixtrans-57.2-42.7174.2-76.4174.8-24.100112.1Y79 L231 Q233 Y238 N239Y79-Q235 HydrophobicContact CD2-CG 4.46Å; Y79-Q235 HydrophobicContact CE2-CG 3.44Å; Y79-Q235 VanDerWaalsContact CE2-CG 3.44Å; Y79-Q235 WeakPolarHBondContact OH-CG 3.17Å; L231-Q235 HydrophobicContact CG-CG 4.48Å; L231-Q235 WeakPolarHBondContact O-CB 3.3Å; L231-Q235 VanDerWaalsContact O-CG 3.29Å; L231-Q235 WeakPolarHBondContact O-CG 3.18Å; L231-Q235 PolarHBondContact O-N 2.7Å; Q233-Q235 VanDerWaalsContact C-N 3.34Å; Q233-Q235 PolarHBondContact O-N 3.34Å; Q235-Y238 PolarHBondContact O-N 2.92Å; Q235-N239 PolarHBondContact O-N 2.93Å; Q235-N239 PolarHBondContact O-ND2 3.49Å
236H90.9Very high86Confident112 Ų11254.4 Ų54.452%0.51928%0.284SS..Hα-helixtrans-63.2-48.5176.8-178.863.9000111.7S232 Q233 V234 Y238 N239 L240S232-H236 PolarHBondContact O-N 3.22Å; S232-H236 VanDerWaalsContact O-N 3.12Å; Q233-H236 WeakPolarHBondContact O-CB 3.32Å; Q233-H236 PolarHBondContact O-N 3.36Å; V234-H236 VanDerWaalsContact C-N 3.3Å; V234-H236 PolarHBondContact O-N 3.08Å; H236-Y238 VanDerWaalsContact C-N 3.3Å; H236-Y238 PolarHBondContact O-N 2.8Å; H236-N239 PolarHBondContact O-N 3.25Å; H236-L240 WeakPolarHBondContact O-CG 3.3Å; H236-L240 PolarHBondContact O-N 3.06Å
237L90.3Very high84.7Confident16 Ų1660.3 Ų60.38%0.08431%0.306CS..Hα-helixtrans-61.3-39.2178.3-62.1-176.2000112.5D66 L68 Q233 V234 L240 L241D66-L237 HydrophobicContact CB-CD2 4.15Å; D66-L237 WeakPolarHBondContact O-CD2 3.38Å; L68-L237 HydrophobicContact CB-CB 4.16Å; L68-L237 HydrophobicContact CD1-CB 3.86Å; L68-L237 HydrophobicContact CD1-CD1 4.21Å; L68-L237 HydrophobicContact CG-CB 4.45Å; Q233-L237 WeakPolarHBondContact O-CG 3.13Å; Q233-L237 PolarHBondContact O-N 2.85Å; V234-L237 PolarHBondContact O-N 3.04Å; L237-L240 HydrophobicContact CD2-CD1 4.31Å; L237-L240 WeakPolarHBondContact O-CB 3.46Å; L237-L240 PolarHBondContact O-N 3.11Å; L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 PolarHBondContact O-N 3.11Å
238Y88.9Confident83.5Confident10 Ų1067.4 Ų67.44%0.03934%0.344CS..Hα-helixtrans-63.7-41.5175.6173.8-96.8000112.7L68 Y79 L80 H83 V234 Q235 H236 L240 L241 I242 F251L68-Y238 HydrophobicContact CD2-CD2 4.35Å; Y79-Y238 HydrophobicContact CD1-CD2 4.08Å; Y79-Y238 HydrophobicContact CD1-CG 4.09Å; Y79-Y238 AromaticContact CE1-CD1 3.69Å; Y79-Y238 HydrophobicContact CE1-CD1 3.69Å; Y79-Y238 AromaticContact CE1-CD2 3.83Å; Y79-Y238 HydrophobicContact CE1-CD2 3.83Å; Y79-Y238 HydrophobicContact CE1-CE1 4.13Å; Y79-Y238 HydrophobicContact CE1-CE2 4.27Å; Y79-Y238 AromaticContact CE1-CG 3.48Å; Y79-Y238 HydrophobicContact CE1-CG 3.48Å; Y79-Y238 VanDerWaalsContact CE1-CG 3.48Å; L80-Y238 HydrophobicContact CD2-CD2 4.18Å; H83-Y238 HydrophobicContact CB-CE2 3.95Å; H83-Y238 VanDerWaalsContact CB-OH 3.29Å; H83-Y238 WeakPolarHBondContact CB-OH 3.4Å; H83-Y238 AromaticContact CD2-CE1 3.91Å; H83-Y238 AromaticContact CD2-CZ 3.64Å; H83-Y238 PolarHBondContact CD2-OH 3.03Å; H83-Y238 VanDerWaalsContact CD2-OH 3.24Å; H83-Y238 AromaticContact CG-CZ 3.78Å; V234-Y238 VanDerWaalsContact O-CB 3.32Å; V234-Y238 WeakPolarHBondContact O-CB 3.41Å; V234-Y238 PolarHBondContact O-N 3.47Å; Q235-Y238 PolarHBondContact O-N 2.92Å; H236-Y238 VanDerWaalsContact C-N 3.3Å; H236-Y238 PolarHBondContact O-N 2.8Å; Y238-L240 VanDerWaalsContact C-N 3.33Å; Y238-L240 PolarHBondContact O-N 3.19Å; Y238-L241 WeakPolarHBondContact O-CB 3.44Å; Y238-L241 PolarHBondContact O-N 3.45Å; Y238-I242 HydrophobicContact CD1-CD1 3.95Å; Y238-I242 HydrophobicContact CE1-CD1 3.27Å; Y238-I242 HydrophobicContact CE1-CG1 4.3Å; Y238-I242 HydrophobicContact CE2-CD1 3.96Å; Y238-I242 HydrophobicContact CE2-CG1 4.42Å; Y238-I242 WeakPolarHBondContact O-CG1 3.4Å; Y238-I242 PolarHBondContact O-N 3.44Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.12Å; Y238-F251 AromaticContact CE2-CD1 3.69Å; Y238-F251 HydrophobicContact CE2-CD1 3.69Å; Y238-F251 AromaticContact CE2-CE1 3.71Å; Y238-F251 HydrophobicContact CE2-CE1 3.71Å; Y238-F251 HydrophobicContact CE2-CG 4.18Å; Y238-F251 HydrophobicContact CE2-CZ 4.2Å; Y238-F251 AromaticContact CZ-CD1 3.78Å; Y238-F251 AromaticContact CZ-CG 3.88Å; Y238-F251 WeakPolarHBondContact OH-CB 3.42Å; Y238-F251 WeakPolarHBondContact OH-CD1 3.36Å; Y238-F251 WeakPolarHBondContact OH-CG 3.41Å
239N86.5Confident82.4Confident96 Ų9664.5 Ų64.551%0.51333%0.334SS..Hα-helixtrans-64.8-39.1174.8-72.2-37.7000111.9Q235 H236 S243Q235-N239 PolarHBondContact O-N 2.93Å; Q235-N239 PolarHBondContact O-ND2 3.49Å; H236-N239 PolarHBondContact O-N 3.25Å; N239-S243 VanDerWaalsContact O-CB 3.27Å; N239-S243 WeakPolarHBondContact O-CB 3.43Å; N239-S243 PolarHBondContact O-N 3.39Å; N239-S243 PolarHBondContact O-OG 3.2Å
240L84.1Confident81.1Confident33 Ų3368.3 Ų68.317%0.17336%0.363CS..Hα-helixtrans-60.1-50173.3-66.7170.7000110.1L25 H236 L237 Y238 I242 S243 F244L25-L240 HydrophobicContact CD1-CB 4.31Å; L25-L240 HydrophobicContact CD1-CD1 3.83Å; L25-L240 HydrophobicContact CD1-CG 4.47Å; H236-L240 WeakPolarHBondContact O-CG 3.3Å; H236-L240 PolarHBondContact O-N 3.06Å; L237-L240 HydrophobicContact CD2-CD1 4.31Å; L237-L240 WeakPolarHBondContact O-CB 3.46Å; L237-L240 PolarHBondContact O-N 3.11Å; Y238-L240 VanDerWaalsContact C-N 3.33Å; Y238-L240 PolarHBondContact O-N 3.19Å; L240-I242 PolarHBondContact O-N 3.21Å; L240-S243 PolarHBondContact O-N 2.97Å; L240-S243 VanDerWaalsContact O-N 3.16Å; L240-S243 PolarHBondContact O-OG 2.74Å; L240-F244 HydrophobicContact CB-CD2 4.35Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 HydrophobicContact CD2-CE2 3.87Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 2.93Å
241L82.9Confident80Confident8 Ų867.6 Ų67.64%0.04235%0.354CS..Hα-helixtrans-50.6-56.9176.616853.9000112.1L68 H69 L80 I123 L237 Y238 S243 F244 D245 L246L68-L241 HydrophobicContact CD2-CB 4.37Å; L68-L241 HydrophobicContact CD2-CD2 3.76Å; H69-L241 WeakPolarHBondContact CE1-CD1 3.27Å; H69-L241 WeakPolarHBondContact NE2-CD1 3.49Å; H69-L241 WeakPolarHBondContact NE2-CD2 3.41Å; L80-L241 HydrophobicContact CD2-CD2 4.38Å; I123-L241 HydrophobicContact CD1-CD2 4.21Å; L237-L241 WeakPolarHBondContact O-CB 3.49Å; L237-L241 PolarHBondContact O-N 3.11Å; Y238-L241 WeakPolarHBondContact O-CB 3.44Å; Y238-L241 PolarHBondContact O-N 3.45Å; L241-S243 VanDerWaalsContact C-N 3.27Å; L241-S243 PolarHBondContact O-N 3.41Å; L241-F244 PolarHBondContact O-N 3.46Å; L241-D245 HydrophobicContact CD1-CB 3.93Å; L241-D245 WeakPolarHBondContact CD1-OD2 3.24Å; L241-D245 PolarHBondContact O-N 3.48Å; L241-L246 HydrophobicContact CD1-CD1 3.8Å; L241-L246 HydrophobicContact CD1-CG 4.3Å; L241-L246 HydrophobicContact CD2-CD1 4.2Å; L241-L246 HydrophobicContact CG-CD1 3.78Å
242I80.7Confident78.8Confident43 Ų4364.1 Ų64.122%0.22134%0.337CS..Hα-helixtrans-57.9-44.8-179-68.1-179.8000111.1Y238 L240 F244 L246 K247 F251Y238-I242 HydrophobicContact CD1-CD1 3.95Å; Y238-I242 HydrophobicContact CE1-CD1 3.27Å; Y238-I242 HydrophobicContact CE1-CG1 4.3Å; Y238-I242 HydrophobicContact CE2-CD1 3.96Å; Y238-I242 HydrophobicContact CE2-CG1 4.42Å; Y238-I242 WeakPolarHBondContact O-CG1 3.4Å; Y238-I242 PolarHBondContact O-N 3.44Å; Y238-I242 WeakPolarHBondContact OH-CD1 3.12Å; L240-I242 PolarHBondContact O-N 3.21Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 3.08Å; I242-L246 CarbonylContact O-C 3.38Å; I242-L246 PolarHBondContact O-N 3.43Å; I242-K247 PolarHBondContact O-N 3.41Å; I242-F251 HydrophobicContact CD1-CB 4.1Å; I242-F251 HydrophobicContact CD1-CD2 3.39Å; I242-F251 HydrophobicContact CD1-CE2 3.89Å; I242-F251 HydrophobicContact CD1-CG 3.84Å; I242-F251 HydrophobicContact CG1-CD2 3.56Å; I242-F251 HydrophobicContact CG1-CE2 3.53Å; I242-F251 HydrophobicContact CG1-CG 4.41Å; I242-F251 HydrophobicContact CG1-CZ 4.35Å
243S78.5Confident77.5Confident51 Ų5167.3 Ų67.336%0.35735%0.348SS..Hα-helixtrans-65.8-29.3-174.775.20000113.4N239 L240 L241 K247N239-S243 VanDerWaalsContact O-CB 3.27Å; N239-S243 WeakPolarHBondContact O-CB 3.43Å; N239-S243 PolarHBondContact O-N 3.39Å; N239-S243 PolarHBondContact O-OG 3.2Å; L240-S243 PolarHBondContact O-N 2.97Å; L240-S243 VanDerWaalsContact O-N 3.16Å; L240-S243 PolarHBondContact O-OG 2.74Å; L241-S243 VanDerWaalsContact C-N 3.27Å; L241-S243 PolarHBondContact O-N 3.41Å; S243-K247 WeakPolarHBondContact O-CE 3.27Å; S243-K247 VanDerWaalsContact O-CG 3.26Å; S243-K247 WeakPolarHBondContact O-CG 3.42Å
244F71.8Confident76.2Confident99 Ų9967.7 Ų67.743%0.43435%0.354SS..Hα-helixtrans-101-50.1-174.8-70.4-60.9000113L240 L241 I242L240-F244 HydrophobicContact CB-CD2 4.35Å; L240-F244 HydrophobicContact CB-CE2 4.41Å; L240-F244 HydrophobicContact CD2-CE2 3.87Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 2.93Å; L241-F244 PolarHBondContact O-N 3.46Å; I242-F244 VanDerWaalsContact C-N 3.27Å; I242-F244 PolarHBondContact O-N 3.08Å
245D68.5Low75.1Confident87 Ų8768.9 Ų68.947%0.46536%0.359SS..Hα-helixtrans-100.1-18-166.7-58.5-41.9000113H69 L241H69-D245 IonicContact CE1-OD2 2.88Å; H69-D245 PolarHBondContact CE1-OD2 3.36Å; H69-D245 IonicContact ND1-OD2 2.66Å; L241-D245 HydrophobicContact CD1-CB 3.93Å; L241-D245 WeakPolarHBondContact CD1-OD2 3.24Å; L241-D245 PolarHBondContact O-N 3.48Å
246L71.9Confident74.5Confident14 Ų1471.4 Ų71.47%0.07337%0.371CS..  trans-134.429.6-164.4-52167000112.6I119 I123 L241 I242 D248 L249 F251I119-L246 HydrophobicContact CG2-CD1 3.81Å; I119-L246 HydrophobicContact CG2-CD2 4.15Å; I123-L246 HydrophobicContact CD1-CD1 3.57Å; I123-L246 HydrophobicContact CD1-CD2 4.22Å; I123-L246 HydrophobicContact CG1-CD1 4.18Å; I123-L246 HydrophobicContact CG1-CD2 3.91Å; L241-L246 HydrophobicContact CD1-CD1 3.8Å; L241-L246 HydrophobicContact CD1-CG 4.3Å; L241-L246 HydrophobicContact CD2-CD1 4.2Å; L241-L246 HydrophobicContact CG-CD1 3.78Å; I242-L246 CarbonylContact O-C 3.38Å; I242-L246 PolarHBondContact O-N 3.43Å; L246-D248 PolarHBondContact O-N 2.87Å; L246-L249 HydrophobicContact CB-CB 4.2Å; L246-L249 HydrophobicContact CB-CD1 4.19Å; L246-L249 HydrophobicContact CD2-CD1 3.54Å; L246-L249 HydrophobicContact CG-CD1 4.4Å; L246-L249 PolarHBondContact O-N 3.45Å; L246-F251 HydrophobicContact CB-CE2 4.34Å; L246-F251 HydrophobicContact CD1-CE2 3.45Å; L246-F251 VanDerWaalsContact CD1-CE2 3.45Å; L246-F251 HydrophobicContact CD1-CZ 3.58Å
247K66.8Low74Confident161 Ų16166.1 Ų66.170%0.735%0.347SS*.THydrogen-bonded Turntrans-49.9-28.7-177.4-70-175179.3-179.40114.3I242 S243I242-K247 PolarHBondContact O-N 3.41Å; S243-K247 WeakPolarHBondContact O-CE 3.27Å; S243-K247 VanDerWaalsContact O-CG 3.26Å; S243-K247 WeakPolarHBondContact O-CG 3.42Å
248D66.1Low73.7Confident164 Ų16465.5 Ų65.588%0.87734%0.343SS*.THydrogen-bonded Turntrans-96.33.1-178.6-59.4-36.7000114L246L246-D248 PolarHBondContact O-N 2.87Å
249L64.2Low73.5Confident51 Ų5165.7 Ų65.727%0.26735%0.346SS..  trans-114.4122-177.8-67.6164.6000110.7I119 L246 F251I119-L249 HydrophobicContact CD1-CB 3.97Å; I119-L249 HydrophobicContact CG1-CB 4.23Å; I119-L249 HydrophobicContact CG1-CD1 4.34Å; I119-L249 HydrophobicContact CG1-CD2 4.36Å; I119-L249 HydrophobicContact CG2-CD1 4.08Å; L246-L249 HydrophobicContact CB-CB 4.2Å; L246-L249 HydrophobicContact CB-CD1 4.19Å; L246-L249 HydrophobicContact CD2-CD1 3.54Å; L246-L249 HydrophobicContact CG-CD1 4.4Å; L246-L249 PolarHBondContact O-N 3.45Å; L249-F251 PolarHBondContact O-N 3.37Å
250S61.7Low73.4Confident104 Ų10462.9 Ų62.973%0.72733%0.331SS*.  trans-82.7113.2173.260.20000110.1
251F66.2Low73.2Confident29 Ų2966.9 Ų66.913%0.12735%0.347CS..PPolyproline II helixtrans-76.6152.9160.2-73.2-104.4000110H83 I119 Y238 I242 L246 L249H83-F251 HydrophobicContact CB-CD1 4.04Å; H83-F251 VanDerWaalsContact O-CD1 3.31Å; H83-F251 WeakPolarHBondContact O-CD1 3.4Å; I119-F251 HydrophobicContact CB-CE1 4.2Å; I119-F251 HydrophobicContact CB-CE2 4.48Å; I119-F251 HydrophobicContact CB-CZ 4.01Å; I119-F251 HydrophobicContact CD1-CD1 3.93Å; I119-F251 HydrophobicContact CD1-CD2 3.61Å; I119-F251 HydrophobicContact CD1-CE1 4Å; I119-F251 HydrophobicContact CD1-CE2 3.68Å; I119-F251 HydrophobicContact CD1-CG 3.75Å; I119-F251 HydrophobicContact CD1-CZ 3.9Å; I119-F251 HydrophobicContact CG2-CE1 3.99Å; I119-F251 HydrophobicContact CG2-CE2 3.74Å; I119-F251 HydrophobicContact CG2-CZ 3.32Å; Y238-F251 AromaticContact CE2-CD1 3.69Å; Y238-F251 HydrophobicContact CE2-CD1 3.69Å; Y238-F251 AromaticContact CE2-CE1 3.71Å; Y238-F251 HydrophobicContact CE2-CE1 3.71Å; Y238-F251 HydrophobicContact CE2-CG 4.18Å; Y238-F251 HydrophobicContact CE2-CZ 4.2Å; Y238-F251 AromaticContact CZ-CD1 3.78Å; Y238-F251 AromaticContact CZ-CG 3.88Å; Y238-F251 WeakPolarHBondContact OH-CB 3.42Å; Y238-F251 WeakPolarHBondContact OH-CD1 3.36Å; Y238-F251 WeakPolarHBondContact OH-CG 3.41Å; I242-F251 HydrophobicContact CD1-CB 4.1Å; I242-F251 HydrophobicContact CD1-CD2 3.39Å; I242-F251 HydrophobicContact CD1-CE2 3.89Å; I242-F251 HydrophobicContact CD1-CG 3.84Å; I242-F251 HydrophobicContact CG1-CD2 3.56Å; I242-F251 HydrophobicContact CG1-CE2 3.53Å; I242-F251 HydrophobicContact CG1-CG 4.41Å; I242-F251 HydrophobicContact CG1-CZ 4.35Å; L246-F251 HydrophobicContact CB-CE2 4.34Å; L246-F251 HydrophobicContact CD1-CE2 3.45Å; L246-F251 VanDerWaalsContact CD1-CE2 3.45Å; L246-F251 HydrophobicContact CD1-CZ 3.58Å; L249-F251 PolarHBondContact O-N 3.37Å
252C65.3Low72.6Confident17 Ų1769.9 Ų69.912%0.11536%0.362CS..PPolyproline II helixtrans-87.7156.3176.755.80000111.2H83 F255H83-C252 VanDerWaalsContact C-SG 3.57Å; H83-C252 PolarHBondContact O-SG 3Å; C252-F255 HydrophobicContact CB-CD2 4.24Å; C252-F255 HydrophobicContact CB-CE2 3.44Å; C252-F255 VanDerWaalsContact CB-CE2 3.44Å; C252-F255 HydrophobicContact CB-CZ 4.21Å; C252-F255 VanDerWaalsContact SG-CD2 3.55Å; C252-F255 WeakPolarHBondContact SG-CE2 3.45Å
253N64.5Low72Confident142 Ų14270.5 Ų70.576%0.75937%0.365SS*.SBendtrans-68.1149174.9-69.2-17.8000110.9F255N253-F255 WeakPolarHBondContact O-CD2 3.42Å; N253-F255 WeakPolarHBondContact O-CE2 3.35Å; N253-F255 WeakPolarHBondContact O-CZ 3.47Å; N253-F255 PolarHBondContact O-N 3.08Å
254D64.9Low71.5Confident112 Ų11275.6 Ų75.660%0.59938%0.384SS*.  trans-29.4115.3-175.4-75.5-55.5000115.2H83H83-D254 IonicContact CE1-OD1 3.81Å; H83-D254 PolarHBondContact CE1-OD1 2.71Å; H83-D254 IonicContact ND1-OD1 3.69Å; H83-D254 IonicContact NE2-OD1 3.08Å; H83-D254 PolarHBondContact NE2-OD1 2.95Å; H83-D254 VanDerWaalsContact NE2-OD1 3.08Å
255F70.7Confident71.5Confident24 Ų2479.8 Ų79.811%0.10540%0.402CS..  trans-117.4119.2165-56.9-58000109N82 E88 K91 C252 N253 V257N82-F255 WeakPolarHBondContact CA-O 3.5Å; N82-F255 WeakPolarHBondContact CB-O 3.5Å; N82-F255 PolarHBondContact O-N 3.15Å; N82-F255 VanDerWaalsContact O-N 3.11Å; N82-F255 PolarHBondContact OD1-O 3.14Å; N82-F255 VanDerWaalsContact OD1-O 3.09Å; E88-F255 VanDerWaalsContact CA-CE2 3.43Å; E88-F255 HydrophobicContact CB-CE2 3.87Å; E88-F255 HydrophobicContact CB-CZ 4.28Å; E88-F255 HydrophobicContact CG-CE2 3.86Å; E88-F255 HydrophobicContact CG-CZ 3.79Å; K91-F255 HydrophobicContact CD-CD1 4.39Å; K91-F255 VanDerWaalsContact CE-CD1 3.42Å; K91-F255 HydrophobicContact CG-CD1 4.07Å; C252-F255 HydrophobicContact CB-CD2 4.24Å; C252-F255 HydrophobicContact CB-CE2 3.44Å; C252-F255 VanDerWaalsContact CB-CE2 3.44Å; C252-F255 HydrophobicContact CB-CZ 4.21Å; C252-F255 VanDerWaalsContact SG-CD2 3.55Å; C252-F255 WeakPolarHBondContact SG-CE2 3.45Å; N253-F255 WeakPolarHBondContact O-CD2 3.42Å; N253-F255 WeakPolarHBondContact O-CE2 3.35Å; N253-F255 WeakPolarHBondContact O-CZ 3.47Å; N253-F255 PolarHBondContact O-N 3.08Å; F255-V257 VanDerWaalsContact C-N 3.26Å; F255-V257 HydrophobicContact CB-CG2 4.02Å; F255-V257 PolarHBondContact O-N 2.75Å
256E79.3Confident71.8Confident126 Ų12679.6 Ų79.659%0.58940%0.4SS*.  trans-80.974179.6-162.9177.7-176.700110.9Q94Q94-E256 VanDerWaalsContact NE2-CD 3.27Å; Q94-E256 PolarHBondContact NE2-OE1 3.23Å; Q94-E256 VanDerWaalsContact NE2-OE1 3.14Å
257V79.6Confident72.3Confident2 Ų284.4 Ų84.41%0.01243%0.427CS..SBendtrans-80.8-40177.9-172.20000110.4N82 F87 S90 Q94 A95 I188 F255N82-V257 PolarHBondContact OD1-N 3.4Å; F87-V257 HydrophobicContact CB-CG2 3.67Å; F87-V257 HydrophobicContact CD1-CG1 4.13Å; F87-V257 HydrophobicContact CG-CG1 4.37Å; F87-V257 HydrophobicContact CG-CG2 4.16Å; S90-V257 WeakPolarHBondContact OG-CG2 3.05Å; Q94-V257 WeakPolarHBondContact CA-O 3.39Å; A95-V257 PolarHBondContact N-O 2.98Å; I188-V257 HydrophobicContact CB-CG1 4.47Å; I188-V257 HydrophobicContact CG1-CG1 4.31Å; I188-V257 HydrophobicContact CG2-CG1 3.63Å; F255-V257 VanDerWaalsContact C-N 3.26Å; F255-V257 HydrophobicContact CB-CG2 4.02Å; F255-V257 PolarHBondContact O-N 2.75Å
258V84.6Confident73.3Confident3 Ų380.9 Ų80.92%0.01841%0.412CS..EExtended strand (participates in β ladder)trans-118.6118.4177.2177.70000108.2A78 L81 N82 L97 T102 I188A78-V258 HydrophobicContact CB-CB 4.48Å; A78-V258 HydrophobicContact CB-CG1 3.97Å; L81-V258 HydrophobicContact CB-CG2 4.39Å; L81-V258 HydrophobicContact CD1-CG2 3.98Å; N82-V258 PolarHBondContact ND2-O 3.07Å; N82-V258 PolarHBondContact OD1-N 3.29Å; L97-V258 HydrophobicContact CB-CG1 4.27Å; L97-V258 HydrophobicContact CD1-CG1 3.91Å; L97-V258 HydrophobicContact CD1-CG2 4.15Å; L97-V258 HydrophobicContact CG-CG1 4.17Å; T102-V258 HydrophobicContact CG2-CG1 4.37Å; I188-V258 HydrophobicContact CD1-CG2 3.79Å
259S85.9Confident74.5Confident13 Ų1373.8 Ų73.89%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-100.5126.8162.9360000108.3Q94 A95 N96 L97Q94-S259 PolarHBondContact NE2-OG 3.37Å; Q94-S259 VanDerWaalsContact NE2-OG 3.11Å; A95-S259 PolarHBondContact O-N 3.06Å; A95-S259 PolarHBondContact O-OG 3.31Å; N96-S259 CarbonylContact C-O 3.39Å; N96-S259 WeakPolarHBondContact CA-O 3.41Å; N96-S259 WeakPolarHBondContact OD1-CB 3.32Å; N96-S259 PolarHBondContact OD1-OG 3.01Å; L97-S259 PolarHBondContact N-O 3.15Å
260L83.4Confident75.9Confident37 Ų3773.3 Ų73.319%0.19437%0.372CS..EExtended strand (participates in β ladder)trans-98.6122.7-172.5175.663.2000110.2P74 L75 A78 T102 M262P74-L260 HydrophobicContact CB-CD1 3.87Å; P74-L260 HydrophobicContact CB-CD2 3.97Å; L75-L260 HydrophobicContact CB-CD2 4.17Å; L75-L260 HydrophobicContact CD1-CD2 4Å; A78-L260 HydrophobicContact CB-CB 4.19Å; A78-L260 HydrophobicContact CB-CD2 4.24Å; T102-L260 HydrophobicContact CG2-CD1 4.27Å; T102-L260 VanDerWaalsContact OG1-CD1 3.24Å; T102-L260 WeakPolarHBondContact OG1-CD1 3.4Å; L260-M262 HydrophobicContact CD1-CE 4.17Å; L260-M262 HydrophobicContact CD2-CE 3.2Å; L260-M262 HydrophobicContact CD2-CG 4.01Å; L260-M262 HydrophobicContact CD2-SD 4.46Å; L260-M262 HydrophobicContact CG-CE 3.82Å; L260-M262 HydrophobicContact CG-CG 3.95Å; L260-M262 PolarHBondContact O-N 3.42Å
261F79Confident77.6Confident118 Ų11868.3 Ų68.352%0.51834%0.337SS..  trans-80.1111.7169.7-175.5-98.5000109.5L97L97-F261 PolarHBondContact O-N 3.12Å
262M70.5Confident79.1Confident71 Ų7167 Ų6735%0.3533%0.332SS..  trans-108.5123.5178.6-83.6-82.3160.500110.1P74 L75 L260 E264P74-M262 HydrophobicContact CB-CE 3.76Å; P74-M262 HydrophobicContact CG-CE 4.38Å; L75-M262 HydrophobicContact CB-CE 4.29Å; L260-M262 HydrophobicContact CD1-CE 4.17Å; L260-M262 HydrophobicContact CD2-CE 3.2Å; L260-M262 HydrophobicContact CD2-CG 4.01Å; L260-M262 HydrophobicContact CD2-SD 4.46Å; L260-M262 HydrophobicContact CG-CE 3.82Å; L260-M262 HydrophobicContact CG-CG 3.95Å; L260-M262 PolarHBondContact O-N 3.42Å; M262-E264 PolarHBondContact O-N 3.36Å
263N69.6Low80.6Confident55 Ų5566.2 Ų66.229%0.29433%0.326SS..  trans-74.5106.3169.1-173.7-22.2000109.2K265 N266 D429N263-K265 PolarHBondContact O-N 2.05Å; N263-K265 VanDerWaalsContact O-N 3.13Å; N263-K265 WeakPolarHBondContact OD1-CB 3.3Å; N263-K265 PolarHBondContact OD1-N 3.38Å; N263-K265 VanDerWaalsContact OD1-N 3.09Å; N263-N266 PolarHBondContact O-N 2.9Å; N263-D429 PolarHBondContact ND2-OD2 2.91Å
264E67.7Low82.1Confident159 Ų15959.5 Ų59.574%0.74329%0.29SS*.THydrogen-bonded Turntrans-61.1-25.1-175.6-68.9-164.5158.500114K228 M262 N266K228-E264 PolarHBondContact NZ-O 3.38Å; M262-E264 PolarHBondContact O-N 3.36Å; E264-N266 VanDerWaalsContact C-N 3.31Å
265K72Confident83.5Confident187 Ų18754.4 Ų54.481%0.81326%0.263SS*.THydrogen-bonded Turntrans-77.2-16.5-177.8-63.6-178.8179.8174.40113.2N263N263-K265 PolarHBondContact O-N 2.05Å; N263-K265 VanDerWaalsContact O-N 3.13Å; N263-K265 WeakPolarHBondContact OD1-CB 3.3Å; N263-K265 PolarHBondContact OD1-N 3.38Å; N263-K265 VanDerWaalsContact OD1-N 3.09Å
266N73.5Confident84.7Confident82 Ų8253.8 Ų53.844%0.43926%0.26SS..  trans-84.1121-177.5-157.8-9.1000110.7N263 E264 H268N263-N266 PolarHBondContact O-N 2.9Å; E264-N266 VanDerWaalsContact C-N 3.31Å; N266-H268 PolarHBondContact OD1-N 3.36Å
267N82.4Confident85.5Confident116 Ų11648.5 Ų48.562%0.6224%0.236SC*.SBendtrans-84.1-1173.8-71.6-22.2000112.8F227F227-N267 CarbonylContact C-O 3.48Å; F227-N267 PolarHBondContact N-O 3.29Å
268H88.8Confident86.2Confident86 Ų8648.7 Ų48.740%0.39824%0.237SC..  trans-111.1151.4175.7-63.669.8000110.4C225 N266C225-H268 CarbonylContact O-C 3.55Å; C225-H268 WeakPolarHBondContact O-CA 3.22Å; C225-H268 WeakPolarHBondContact O-CB 3.42Å; N266-H268 PolarHBondContact OD1-N 3.36Å
269T91.2Very high86.8Confident15 Ų1548.6 Ų48.69%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-125.7139.4170.7-166.70000109.2T73 C225 F227T73-T269 HydrophobicContact CG2-CG2 4.1Å; C225-T269 HydrophobicContact CB-CG2 4.1Å; C225-T269 WeakPolarHBondContact CB-O 3.2Å; C225-T269 PolarHBondContact N-O 3.22Å; C225-T269 PolarHBondContact O-N 3.36Å; F227-T269 HydrophobicContact CD1-CG2 4.49Å; F227-T269 HydrophobicContact CD2-CG2 4.41Å; F227-T269 HydrophobicContact CE1-CG2 4.15Å; F227-T269 HydrophobicContact CE2-CG2 4.06Å; F227-T269 HydrophobicContact CZ-CG2 3.91Å; F227-T269 WeakPolarHBondContact O-CG2 3.5Å
270I93.6Very high87.2Confident41 Ų4149.4 Ų49.421%0.2124%0.239CC..EExtended strand (participates in β ladder)trans-74.4150.5168.360.2169.5000109.2P74 L100 L103 V223P74-I270 WeakPolarHBondContact CD-O 3.39Å; P74-I270 HydrophobicContact CG-CD1 4.45Å; P74-I270 HydrophobicContact CG-CG1 3.85Å; L100-I270 HydrophobicContact CB-CD1 4.3Å; L100-I270 HydrophobicContact CD2-CD1 3.56Å; L100-I270 HydrophobicContact CG-CD1 3.63Å; L103-I270 HydrophobicContact CD1-CD1 3.8Å; L103-I270 HydrophobicContact CD1-CG1 3.95Å; V223-I270 CarbonylContact O-C 3.02Å; V223-I270 WeakPolarHBondContact O-CA 3.41Å
271S96.2Very high87.7Confident0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-153.3148.6179.9-58.40000112L72 T73 C222 V223L72-S271 CarbonylContact O-C 3.58Å; L72-S271 VanDerWaalsContact O-CA 3.26Å; L72-S271 WeakPolarHBondContact O-CA 3.32Å; T73-S271 WeakPolarHBondContact CG2-OG 3.5Å; C222-S271 CarbonylContact C-O 3.48Å; C222-S271 VanDerWaalsContact CA-O 3.29Å; C222-S271 WeakPolarHBondContact CA-O 3.11Å; V223-S271 PolarHBondContact N-O 3.24Å; V223-S271 PolarHBondContact O-N 2.88Å
272L97.8Very high88.3Confident1 Ų144.3 Ų44.31%0.00522%0.217CC..BIsolated β-bridgetrans-90.4128.8158.5-72171.8000108.3L72 M107 V218 R221 C222L72-L272 HydrophobicContact CB-CB 4.02Å; L72-L272 WeakPolarHBondContact CB-O 3.18Å; L72-L272 HydrophobicContact CD1-CB 4.21Å; L72-L272 PolarHBondContact N-O 2.72Å; L72-L272 PolarHBondContact O-N 3.46Å; M107-L272 HydrophobicContact CG-CD1 3.56Å; M107-L272 HydrophobicContact SD-CD1 3.69Å; V218-L272 HydrophobicContact CG2-CD1 4.08Å; R221-L272 HydrophobicContact CB-CD2 3.78Å; C222-L272 HydrophobicContact CB-CD2 4.27Å
273I97Very high89.3Confident1 Ų142.2 Ų42.21%0.00521%0.206CC..  trans-123.7100179.7-59-179.1000106.7Y61 V63 L70 V71 V223 F275 F276 D277 L298Y61-I273 HydrophobicContact CE1-CG2 4.44Å; V63-I273 HydrophobicContact CG1-CG2 4.16Å; V63-I273 HydrophobicContact CG2-CG2 4.36Å; L70-I273 WeakPolarHBondContact O-CG2 3.21Å; V71-I273 HydrophobicContact CG1-CD1 4.43Å; V71-I273 HydrophobicContact CG1-CG1 4.18Å; V71-I273 HydrophobicContact CG2-CD1 4.48Å; V71-I273 HydrophobicContact CG2-CG1 4.34Å; V223-I273 HydrophobicContact CG1-CD1 3.79Å; V223-I273 HydrophobicContact CG1-CG1 4.1Å; I273-F275 PolarHBondContact O-N 3.24Å; I273-F276 HydrophobicContact CB-CB 3.7Å; I273-F276 HydrophobicContact CB-CG 4.33Å; I273-F276 HydrophobicContact CG2-CB 3.44Å; I273-F276 VanDerWaalsContact CG2-CB 3.44Å; I273-F276 HydrophobicContact CG2-CG 4.29Å; I273-F276 WeakPolarHBondContact O-CB 3.26Å; I273-F276 PolarHBondContact O-N 3.26Å; I273-F276 VanDerWaalsContact O-N 3.12Å; I273-D277 PolarHBondContact O-N 3.28Å; I273-L298 HydrophobicContact CD1-CD2 3.47Å; I273-L298 VanDerWaalsContact CD1-CD2 3.47Å
274P95.7Very high90.1Very high0 Ų043.1 Ų43.10%021%0.211CC..THydrogen-bonded Turntrans-48.6139.6173.4-28.836.2000111F15 W18 L19 L70 Y127 F276F15-P274 HydrophobicContact CE2-CB 4.08Å; F15-P274 HydrophobicContact CZ-CB 4.08Å; W18-P274 HydrophobicContact CH2-CB 4.19Å; W18-P274 HydrophobicContact CH2-CG 3.98Å; W18-P274 HydrophobicContact CZ3-CB 3.79Å; W18-P274 HydrophobicContact CZ3-CG 4.11Å; L19-P274 HydrophobicContact CD2-CB 4.37Å; L70-P274 WeakPolarHBondContact O-CD 3.47Å; Y127-P274 HydrophobicContact CD1-CG 3.98Å; Y127-P274 HydrophobicContact CD2-CB 3.76Å; Y127-P274 HydrophobicContact CD2-CG 4.04Å; Y127-P274 HydrophobicContact CE1-CG 4.05Å; Y127-P274 HydrophobicContact CE2-CB 3.94Å; Y127-P274 HydrophobicContact CE2-CG 4.12Å; Y127-P274 HydrophobicContact CG-CB 4.1Å; Y127-P274 HydrophobicContact CG-CG 3.96Å; P274-F276 PolarHBondContact O-N 3.13Å; P274-F276 VanDerWaalsContact O-N 3.13Å
275F95Very high91.1Very high5 Ų535.6 Ų35.62%0.02218%0.176CC..THydrogen-bonded Turntrans78.5-42.3-174.7-167.1-89.3000114.3F15 L19 R32 L35 I37 L48 Y61 I273 D277 F278F15-F275 HydrophobicContact CE1-CB 4.47Å; F15-F275 HydrophobicContact CE1-CD2 4.37Å; F15-F275 HydrophobicContact CZ-CB 4.34Å; L19-F275 HydrophobicContact CD1-CB 3.88Å; L19-F275 HydrophobicContact CD1-CD2 3.61Å; L19-F275 HydrophobicContact CD1-CG 4.09Å; L19-F275 HydrophobicContact CD2-CB 4.35Å; R32-F275 HydrophobicContact CB-CD1 4.48Å; R32-F275 HydrophobicContact CB-CE1 3.89Å; R32-F275 HydrophobicContact CB-CE2 4.45Å; R32-F275 HydrophobicContact CB-CZ 3.86Å; R32-F275 HydrophobicContact CG-CD1 3.77Å; R32-F275 HydrophobicContact CG-CE1 3.66Å; R32-F275 HydrophobicContact CG-CE2 4.42Å; R32-F275 HydrophobicContact CG-CG 4.19Å; R32-F275 HydrophobicContact CG-CZ 4.01Å; L35-F275 HydrophobicContact CB-CE1 4.14Å; L35-F275 HydrophobicContact CB-CZ 4.05Å; L35-F275 HydrophobicContact CD1-CE1 4.21Å; I37-F275 HydrophobicContact CD1-CD2 4.08Å; I37-F275 HydrophobicContact CD1-CE2 4.1Å; I37-F275 HydrophobicContact CG1-CD2 4.33Å; I37-F275 HydrophobicContact CG1-CE2 3.95Å; L48-F275 HydrophobicContact CD1-CD1 4.36Å; L48-F275 HydrophobicContact CD1-CE1 4.02Å; L48-F275 HydrophobicContact CD2-CE1 4.02Å; L48-F275 HydrophobicContact CD2-CE2 4.06Å; L48-F275 HydrophobicContact CD2-CZ 3.7Å; Y61-F275 HydrophobicContact CD2-CD1 4.01Å; Y61-F275 HydrophobicContact CD2-CE1 4.1Å; Y61-F275 AromaticContact CE2-CD1 3.53Å; Y61-F275 HydrophobicContact CE2-CD1 3.53Å; Y61-F275 HydrophobicContact CE2-CE1 4.06Å; I273-F275 PolarHBondContact O-N 3.24Å; F275-D277 VanDerWaalsContact C-N 3.28Å; F275-D277 PolarHBondContact N-OD1 3.19Å; F275-D277 PolarHBondContact O-N 3.39Å; F275-F278 WeakPolarHBondContact O-CD2 3.36Å; F275-F278 PolarHBondContact O-N 2.91Å
276F96.4Very high91.9Very high11 Ų1130.2 Ų30.25%0.04816%0.16CC..G310 helixtrans-64.8-35.3175.7-178.7-83.8000111.5Y61 V223 I273 P274 F278 F279 L289 L300 I314Y61-F276 AromaticContact CD1-CD2 3.77Å; Y61-F276 HydrophobicContact CD1-CD2 3.77Å; Y61-F276 HydrophobicContact CE1-CB 3.94Å; Y61-F276 AromaticContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CD2 3.67Å; Y61-F276 HydrophobicContact CE1-CG 4.29Å; V223-F276 HydrophobicContact CB-CD1 4.45Å; V223-F276 HydrophobicContact CB-CE1 3.91Å; V223-F276 HydrophobicContact CG1-CD1 4.07Å; V223-F276 HydrophobicContact CG1-CE1 3.92Å; V223-F276 HydrophobicContact CG2-CE1 3.75Å; V223-F276 HydrophobicContact CG2-CZ 4.09Å; I273-F276 HydrophobicContact CB-CB 3.7Å; I273-F276 HydrophobicContact CB-CG 4.33Å; I273-F276 HydrophobicContact CG2-CB 3.44Å; I273-F276 VanDerWaalsContact CG2-CB 3.44Å; I273-F276 HydrophobicContact CG2-CG 4.29Å; I273-F276 WeakPolarHBondContact O-CB 3.26Å; I273-F276 PolarHBondContact O-N 3.26Å; I273-F276 VanDerWaalsContact O-N 3.12Å; P274-F276 PolarHBondContact O-N 3.13Å; P274-F276 VanDerWaalsContact O-N 3.13Å; F276-F278 PolarHBondContact O-N 2.98Å; F276-F279 AromaticContact CD2-CD2 3.96Å; F276-F279 HydrophobicContact CD2-CD2 3.96Å; F276-F279 AromaticContact CD2-CE2 3.93Å; F276-F279 HydrophobicContact CD2-CE2 3.93Å; F276-F279 HydrophobicContact CE2-CD2 4.21Å; F276-F279 HydrophobicContact CE2-CE2 4.3Å; F276-F279 HydrophobicContact CG-CD2 4.16Å; F276-F279 HydrophobicContact CG-CE2 4.45Å; F276-F279 WeakPolarHBondContact O-CD2 3.43Å; F276-F279 PolarHBondContact O-N 3.44Å; F276-L289 HydrophobicContact CE2-CD1 3.84Å; F276-L289 HydrophobicContact CE2-CD2 4.5Å; F276-L289 HydrophobicContact CZ-CD1 4.3Å; F276-L289 HydrophobicContact CZ-CD2 4.2Å; F276-L300 HydrophobicContact CE2-CB 4.36Å; F276-L300 HydrophobicContact CE2-CD1 4.26Å; F276-L300 HydrophobicContact CE2-CD2 4Å; F276-L300 HydrophobicContact CE2-CG 4.44Å; F276-I314 HydrophobicContact CE1-CD1 3.99Å; F276-I314 HydrophobicContact CZ-CD1 3.96Å
277D95.4Very high92.7Very high15 Ų1528.1 Ų28.18%0.0815%0.151CC..G310 helixtrans-68.44.7178.273.7-37000115Y127 L131 R221 I273 F275Y127-D277 PolarHBondContact OH-OD2 3.27Å; L131-D277 WeakPolarHBondContact CD2-OD2 3.11Å; R221-D277 HydrophobicContact CB-CB 4Å; R221-D277 WeakPolarHBondContact CD-OD2 3.47Å; R221-D277 HydrophobicContact CG-CB 4.31Å; R221-D277 IonicContact CZ-OD2 3.17Å; R221-D277 IonicContact NE-OD2 3.48Å; R221-D277 PolarHBondContact NH1-O 3.16Å; R221-D277 IonicContact NH1-OD2 3.92Å; R221-D277 PolarHBondContact NH1-OD2 3.36Å; I273-D277 PolarHBondContact O-N 3.28Å; F275-D277 VanDerWaalsContact C-N 3.28Å; F275-D277 PolarHBondContact N-OD1 3.19Å; F275-D277 PolarHBondContact O-N 3.39Å
278F95.3Very high93.2Very high7 Ų724.4 Ų24.43%0.03114%0.136CC..G310 helixtrans-93.5-6.8168.4-68.1-92.2000113.1F15 I37 R46 G47 L48 V130 F275 F276 N280F15-F278 AromaticContact CE1-CE2 3.67Å; F15-F278 HydrophobicContact CE1-CE2 3.67Å; F15-F278 HydrophobicContact CE1-CZ 4.13Å; F15-F278 HydrophobicContact CZ-CE2 4.03Å; I37-F278 HydrophobicContact CD1-CD1 4.45Å; I37-F278 HydrophobicContact CD1-CD2 4.43Å; I37-F278 HydrophobicContact CD1-CE1 4.37Å; I37-F278 HydrophobicContact CD1-CE2 4.32Å; I37-F278 HydrophobicContact CD1-CG 4.47Å; I37-F278 HydrophobicContact CD1-CZ 4.27Å; I37-F278 HydrophobicContact CG1-CG 4.48Å; I37-F278 HydrophobicContact CG2-CD1 4.26Å; I37-F278 HydrophobicContact CG2-CE1 4.45Å; R46-F278 HydrophobicContact CG-CD1 3.82Å; R46-F278 HydrophobicContact CG-CE1 4.01Å; G47-F278 CarbonylContact C-O 3.59Å; G47-F278 WeakPolarHBondContact CA-O 3.28Å; L48-F278 HydrophobicContact CD1-CB 4.17Å; L48-F278 HydrophobicContact CD2-CB 4.02Å; L48-F278 HydrophobicContact CG-CB 3.75Å; L48-F278 PolarHBondContact N-O 2.81Å; V130-F278 HydrophobicContact CB-CZ 4.02Å; V130-F278 HydrophobicContact CG2-CE2 4.33Å; V130-F278 HydrophobicContact CG2-CZ 3.74Å; F275-F278 WeakPolarHBondContact O-CD2 3.36Å; F275-F278 PolarHBondContact O-N 2.91Å; F276-F278 PolarHBondContact O-N 2.98Å; F278-N280 PolarHBondContact O-N 3.49Å
279F95.8Very high93.5Very high1 Ų122.2 Ų22.20%0.00413%0.127CC..PPolyproline II helixtrans-68123.5169.5-73.9-67.8000109.6L35 L48 Y61 F276 L300 V312 I314 Y316L35-F279 HydrophobicContact CD1-CE1 4.06Å; L35-F279 HydrophobicContact CD1-CE2 4.46Å; L35-F279 HydrophobicContact CD1-CZ 3.48Å; L35-F279 VanDerWaalsContact CD1-CZ 3.48Å; L35-F279 HydrophobicContact CD2-CE1 4.29Å; L48-F279 HydrophobicContact CB-CD1 4.2Å; L48-F279 HydrophobicContact CB-CE1 4.17Å; L48-F279 HydrophobicContact CD1-CD1 3.68Å; L48-F279 HydrophobicContact CD1-CD2 3.83Å; L48-F279 HydrophobicContact CD1-CE1 3.53Å; L48-F279 HydrophobicContact CD1-CE2 3.68Å; L48-F279 HydrophobicContact CD1-CG 3.82Å; L48-F279 HydrophobicContact CD1-CZ 3.54Å; L48-F279 HydrophobicContact CG-CD1 4.44Å; L48-F279 HydrophobicContact CG-CE1 4.47Å; Y61-F279 HydrophobicContact CG-CE2 4.4Å; F276-F279 AromaticContact CD2-CD2 3.96Å; F276-F279 HydrophobicContact CD2-CD2 3.96Å; F276-F279 AromaticContact CD2-CE2 3.93Å; F276-F279 HydrophobicContact CD2-CE2 3.93Å; F276-F279 HydrophobicContact CE2-CD2 4.21Å; F276-F279 HydrophobicContact CE2-CE2 4.3Å; F276-F279 HydrophobicContact CG-CD2 4.16Å; F276-F279 HydrophobicContact CG-CE2 4.45Å; F276-F279 WeakPolarHBondContact O-CD2 3.43Å; F276-F279 PolarHBondContact O-N 3.44Å; F279-L300 HydrophobicContact CD2-CD2 3.94Å; F279-L300 HydrophobicContact CE1-CD2 4.05Å; F279-L300 HydrophobicContact CE2-CD2 3.42Å; F279-L300 VanDerWaalsContact CE2-CD2 3.42Å; F279-L300 HydrophobicContact CG-CD2 4.48Å; F279-L300 HydrophobicContact CZ-CD2 3.46Å; F279-L300 VanDerWaalsContact CZ-CD2 3.46Å; F279-V312 HydrophobicContact CD1-CB 4.23Å; F279-V312 HydrophobicContact CD1-CG1 3.98Å; F279-V312 HydrophobicContact CE1-CB 3.9Å; F279-V312 HydrophobicContact CE1-CG1 3.52Å; F279-I314 HydrophobicContact CB-CB 4.37Å; F279-I314 HydrophobicContact CB-CD1 3.59Å; F279-I314 HydrophobicContact CB-CG1 3.73Å; F279-I314 HydrophobicContact CB-CG2 3.79Å; F279-I314 HydrophobicContact CD1-CG2 3.83Å; F279-I314 HydrophobicContact CD2-CG2 4.31Å; F279-I314 HydrophobicContact CG-CD1 4.29Å; F279-I314 HydrophobicContact CG-CG2 3.73Å; F279-Y316 WeakPolarHBondContact O-CE1 3.32Å; F279-Y316 PolarHBondContact O-OH 3.39Å
280N94.9Very high93.7Very high30 Ų3023.4 Ų23.416%0.1614%0.136CC..EExtended strand (participates in β ladder)trans-84.7164.6174.2-72.7-42.9000111.6R46 F278 Q311 L313 I314 Y316R46-N280 PolarHBondContact O-ND2 3.43Å; R46-N280 PolarHBondContact O-OD1 2.9Å; F278-N280 PolarHBondContact O-N 3.49Å; N280-Q311 PolarHBondContact ND2-OE1 2.9Å; N280-L313 HydrophobicContact CB-CD2 3.66Å; N280-L313 WeakPolarHBondContact O-CA 3.38Å; N280-I314 PolarHBondContact O-N 2.78Å; N280-Y316 WeakPolarHBondContact CA-OH 3.25Å
281H94.2Very high93.8Very high14 Ų1424.6 Ų24.67%0.06514%0.142CC..EExtended strand (participates in β ladder)trans-82.5139.8-176.8-175.150.8000114.1I314 Y316 F330H281-I314 CarbonylContact C-O 3.56Å; H281-I314 VanDerWaalsContact CA-O 3.26Å; H281-I314 WeakPolarHBondContact CA-O 3.25Å; H281-I314 PolarHBondContact ND1-O 3.03Å; H281-Y316 HydrophobicContact CB-CD1 4.23Å; H281-Y316 HydrophobicContact CB-CD2 3.69Å; H281-Y316 HydrophobicContact CB-CE1 4.21Å; H281-Y316 HydrophobicContact CB-CE2 3.69Å; H281-Y316 HydrophobicContact CB-CG 3.97Å; H281-Y316 PolarHBondContact CE1-N 2.95Å; H281-Y316 AromaticContact CG-CD2 4Å; H281-Y316 AromaticContact ND1-CG 3.71Å; H281-Y316 PolarHBondContact ND1-N 3.05Å; H281-Y316 VanDerWaalsContact ND1-N 3.13Å; H281-F330 HydrophobicContact CB-CE1 4.44Å; H281-F330 HydrophobicContact CB-CE2 4.15Å; H281-F330 HydrophobicContact CB-CZ 3.53Å; H281-F330 AromaticContact CD2-CZ 3.85Å
282D92.1Very high93.6Very high33 Ų3325 Ų2518%0.17615%0.145CC..  trans-144.7121.8156.6-177.7-16.7000108.9N284 V285 R304 L313 I314D282-N284 PolarHBondContact O-N 2.9Å; D282-N284 VanDerWaalsContact O-N 3.16Å; D282-N284 WeakPolarHBondContact OD1-CB 3.49Å; D282-N284 PolarHBondContact OD1-N 2.96Å; D282-V285 HydrophobicContact CB-CB 4.38Å; D282-V285 HydrophobicContact CB-CG2 3.68Å; D282-V285 PolarHBondContact O-N 2.76Å; D282-R304 IonicContact OD2-NH1 3.56Å; D282-L313 HydrophobicContact CB-CB 3.69Å; D282-L313 HydrophobicContact CB-CD1 3.72Å; D282-L313 HydrophobicContact CB-CG 4.21Å; D282-I314 PolarHBondContact N-O 3.06Å
283Q90Very high93.3Very high27 Ų2735.4 Ų35.413%0.12619%0.191CC..THydrogen-bonded Turntrans-62.7-20.9-178.864.7-166.9-300113.8N315 L332 N338 N340Q283-N315 PolarHBondContact O-ND2 2.89Å; Q283-L332 HydrophobicContact CB-CD1 4.39Å; Q283-L332 HydrophobicContact CG-CD1 4.15Å; Q283-N338 PolarHBondContact NE2-O 3.48Å; Q283-N340 WeakPolarHBondContact CB-ND2 3.41Å; Q283-N340 PolarHBondContact OE1-ND2 3.17Å
284N88Confident93Very high75 Ų7540 Ų4040%0.40122%0.219SC..THydrogen-bonded Turntrans-94.36.4-177-60-47.5000113.6D282 P286 N338D282-N284 PolarHBondContact O-N 2.9Å; D282-N284 VanDerWaalsContact O-N 3.16Å; D282-N284 WeakPolarHBondContact OD1-CB 3.49Å; D282-N284 PolarHBondContact OD1-N 2.96Å; N284-P286 WeakPolarHBondContact O-CD 3.12Å; N284-N338 WeakPolarHBondContact OD1-CB 3.49Å
285V88.7Confident92.8Very high1 Ų141.7 Ų41.71%0.00624%0.236CC..  trans-106.498.1-178.1-1730000110.4D282 T287 R304 L313 N315D282-V285 HydrophobicContact CB-CB 4.38Å; D282-V285 HydrophobicContact CB-CG2 3.68Å; D282-V285 PolarHBondContact O-N 2.76Å; V285-T287 HydrophobicContact CG1-CG2 3.84Å; V285-T287 PolarHBondContact O-N 3.29Å; V285-R304 HydrophobicContact CG1-CG 4.44Å; V285-R304 VanDerWaalsContact CG2-CZ 3.42Å; V285-R304 VanDerWaalsContact CG2-NH1 3.25Å; V285-L313 WeakPolarHBondContact CG1-O 3.43Å; V285-L313 HydrophobicContact CG2-CB 4.31Å; V285-N315 VanDerWaalsContact O-CB 3.24Å; V285-N315 WeakPolarHBondContact O-CB 3.28Å
286P87.9Confident92.6Very high73 Ų7344.6 Ų44.647%0.47425%0.251SS..  trans-65.8126.2171.516.3-16.9000109.7N284 E303N284-P286 WeakPolarHBondContact O-CD 3.12Å; P286-E303 HydrophobicContact CB-CB 3.95Å; P286-E303 HydrophobicContact CB-CG 3.96Å; P286-E303 HydrophobicContact CG-CB 3.81Å; P286-E303 HydrophobicContact CG-CG 4.36Å; P286-E303 WeakPolarHBondContact O-CB 3.27Å; P286-E303 PolarHBondContact O-N 2.81Å; P286-E303 VanDerWaalsContact O-N 3.13Å
287T91.2Very high92.5Very high39 Ų3944.4 Ų44.424%0.23925%0.251CS..EExtended strand (participates in β ladder)trans-133.1145.3179.554.20000110.1V285 Y301 L302 I314V285-T287 HydrophobicContact CG1-CG2 3.84Å; V285-T287 PolarHBondContact O-N 3.29Å; T287-Y301 WeakPolarHBondContact CA-O 3.49Å; T287-L302 HydrophobicContact CG2-CD2 3.83Å; T287-I314 HydrophobicContact CG2-CB 3.96Å; T287-I314 HydrophobicContact CG2-CG2 4.01Å
288A93.1Very high92.5Very high38 Ų3843.8 Ų43.831%0.31425%0.248SC..EExtended strand (participates in β ladder)trans-121.1120.7176.500000110L300 Y301A288-L300 WeakPolarHBondContact O-CA 3.23Å; A288-Y301 PolarHBondContact N-O 3.06Å; A288-Y301 PolarHBondContact O-N 3.37Å
289L94.8Very high92.5Very high39 Ų3944.6 Ų44.620%0.20425%0.252CS..EExtended strand (participates in β ladder)trans-99.3125.8169.3-170.364.2000107.8V223 F276 L298 E299 L300V223-L289 HydrophobicContact CG2-CD2 3.73Å; F276-L289 HydrophobicContact CE2-CD1 3.84Å; F276-L289 HydrophobicContact CE2-CD2 4.5Å; F276-L289 HydrophobicContact CZ-CD1 4.3Å; F276-L289 HydrophobicContact CZ-CD2 4.2Å; L289-L298 HydrophobicContact CD1-CD1 4.19Å; L289-L298 HydrophobicContact CD1-CD2 3.94Å; L289-L298 HydrophobicContact CD1-CG 3.72Å; L289-L298 HydrophobicContact CD2-CD2 4.05Å; L289-L298 HydrophobicContact CD2-CG 4.48Å; L289-L298 HydrophobicContact CG-CD1 3.97Å; L289-L298 HydrophobicContact CG-CD2 4.14Å; L289-L298 HydrophobicContact CG-CG 4.02Å; L289-E299 WeakPolarHBondContact CA-O 3.12Å; L289-L300 HydrophobicContact CD1-CB 4.24Å; L289-L300 HydrophobicContact CD1-CD1 4.42Å
290S95.1Very high92.6Very high40 Ų4044.7 Ų44.728%0.2825%0.252SS..EExtended strand (participates in β ladder)trans-149.2157.1-173.361.50000112.1E299 Y301S290-E299 PolarHBondContact N-O 2.94Å; S290-E299 PolarHBondContact O-N 3.12Å; S290-Y301 WeakPolarHBondContact OG-CE2 3.17Å
291L94.4Very high92.6Very high66 Ų6646.3 Ų46.335%0.34626%0.257SS..EExtended strand (participates in β ladder)trans-69.5139.8166.7-76.9173.7000110.1L65 F227L65-L291 HydrophobicContact CD1-CD2 3.45Å; L65-L291 VanDerWaalsContact CD1-CD2 3.45Å; F227-L291 HydrophobicContact CB-CD1 3.72Å; F227-L291 HydrophobicContact CB-CD2 3.88Å; F227-L291 HydrophobicContact CB-CG 3.99Å; F227-L291 HydrophobicContact CD1-CD2 4.42Å; F227-L291 HydrophobicContact CG-CD2 4.35Å
292S93.9Very high92.6Very high9 Ų945.7 Ų45.76%0.06325%0.254CS..  trans-60.6160.6168.5670000111.1T294 G295 L296 S297 E299S292-T294 PolarHBondContact O-N 3.25Å; S292-T294 PolarHBondContact OG-OG1 3.39Å; S292-G295 PolarHBondContact O-N 2.56Å; S292-L296 PolarHBondContact OG-N 2.82Å; S292-S297 WeakPolarHBondContact CB-OG 3.11Å; S292-S297 PolarHBondContact N-O 2.82Å; S292-S297 PolarHBondContact OG-N 3.21Å; S292-S297 PolarHBondContact OG-O 3.28Å; S292-S297 PolarHBondContact OG-OG 3.45Å; S292-E299 WeakPolarHBondContact CB-OE1 3.35Å
293K91.4Very high92.6Very high220 Ų22047.8 Ų47.896%0.95726%0.262SS*.THydrogen-bonded Turntrans-58.1-26-179.6-66.1-178.1-179177.10113.5
294T90.6Very high92.7Very high98 Ų9850 Ų5060%0.60127%0.27SS*.THydrogen-bonded Turntrans-85-14.7176.657.70000112.7S292 L296S292-T294 PolarHBondContact O-N 3.25Å; S292-T294 PolarHBondContact OG-OG1 3.39Å; T294-L296 PolarHBondContact O-N 3.02Å; T294-L296 PolarHBondContact OG1-N 3.31Å
295G90.6Very high93Very high34 Ų3449.5 Ų49.535%0.35127%0.272SS..SBendtrans72.313.2-17300000113.9S292S292-G295 PolarHBondContact O-N 2.56Å
296L90.9Very high93.4Very high66 Ų6649.5 Ų49.535%0.34627%0.272SS..SBendtrans-99.5-9.8-174-59.7176000113.4H26 L65 S292 T294H26-L296 VanDerWaalsContact CD2-CD1 3.43Å; H26-L296 WeakPolarHBondContact CD2-CD1 3.3Å; H26-L296 WeakPolarHBondContact NE2-CD1 3.46Å; L65-L296 PolarHBondContact N-O 3.13Å; S292-L296 PolarHBondContact OG-N 2.82Å; T294-L296 PolarHBondContact O-N 3.02Å; T294-L296 PolarHBondContact OG1-N 3.31Å
297S93.8Very high93.8Very high8 Ų849.6 Ų49.66%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-144.2152.5179.954.20000111.1S62 V63 S292S62-S297 WeakPolarHBondContact OG-CB 3.31Å; S62-S297 PolarHBondContact OG-OG 3.4Å; V63-S297 CarbonylContact O-C 3.56Å; V63-S297 WeakPolarHBondContact O-CA 3.32Å; V63-S297 VanDerWaalsContact O-CB 3.3Å; V63-S297 WeakPolarHBondContact O-CB 3.49Å; S292-S297 WeakPolarHBondContact CB-OG 3.11Å; S292-S297 PolarHBondContact N-O 2.82Å; S292-S297 PolarHBondContact OG-N 3.21Å; S292-S297 PolarHBondContact OG-O 3.28Å; S292-S297 PolarHBondContact OG-OG 3.45Å
298L95.3Very high94.1Very high1 Ų150.9 Ų50.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-99.1126.2170.4-174.974.4000108.5S62 V63 L65 C225 P226 F227 I273 L289S62-L298 CarbonylContact C-O 3.51Å; S62-L298 VanDerWaalsContact CA-O 3.31Å; S62-L298 WeakPolarHBondContact CA-O 3.44Å; V63-L298 HydrophobicContact CG1-CB 3.71Å; V63-L298 HydrophobicContact CG1-CD2 4.25Å; V63-L298 HydrophobicContact CG1-CG 4.47Å; V63-L298 PolarHBondContact N-O 3.49Å; V63-L298 PolarHBondContact O-N 3.44Å; L65-L298 HydrophobicContact CD2-CB 4.24Å; C225-L298 HydrophobicContact CB-CD2 4.35Å; P226-L298 HydrophobicContact CG-CD1 4.26Å; F227-L298 HydrophobicContact CD1-CD1 4.41Å; I273-L298 HydrophobicContact CD1-CD2 3.47Å; I273-L298 VanDerWaalsContact CD1-CD2 3.47Å; L289-L298 HydrophobicContact CD1-CD1 4.19Å; L289-L298 HydrophobicContact CD1-CD2 3.94Å; L289-L298 HydrophobicContact CD1-CG 3.72Å; L289-L298 HydrophobicContact CD2-CD2 4.05Å; L289-L298 HydrophobicContact CD2-CG 4.48Å; L289-L298 HydrophobicContact CG-CD1 3.97Å; L289-L298 HydrophobicContact CG-CD2 4.14Å; L289-L298 HydrophobicContact CG-CG 4.02Å
299E96.5Very high94.2Very high25 Ų2551.6 Ų51.612%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-122.4131.5-168.2-70.2179.1169.700111.5Y61 S62 L289 S290 S292 Y301Y61-E299 WeakPolarHBondContact O-CA 3.33Å; S62-E299 WeakPolarHBondContact OG-CG 3.3Å; L289-E299 WeakPolarHBondContact CA-O 3.12Å; S290-E299 PolarHBondContact N-O 2.94Å; S290-E299 PolarHBondContact O-N 3.12Å; S292-E299 WeakPolarHBondContact CB-OE1 3.35Å; E299-Y301 HydrophobicContact CB-CD2 4.26Å; E299-Y301 HydrophobicContact CB-CE2 3.5Å; E299-Y301 PolarHBondContact OE2-OH 3.22Å
300L97.3Very high94.2Very high2 Ų253 Ų531%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-102.5125.5176.1179.967.9000110.4C59 C60 Y61 F276 F279 A288 L289 I314C59-L300 CarbonylContact C-O 3.54Å; C59-L300 WeakPolarHBondContact CA-O 3.32Å; C60-L300 PolarHBondContact N-O 3.13Å; C60-L300 VanDerWaalsContact SG-CD2 3.59Å; C60-L300 PolarHBondContact SG-O 2.86Å; Y61-L300 HydrophobicContact CD1-CB 4.46Å; Y61-L300 PolarHBondContact O-N 2.89Å; F276-L300 HydrophobicContact CE2-CB 4.36Å; F276-L300 HydrophobicContact CE2-CD1 4.26Å; F276-L300 HydrophobicContact CE2-CD2 4Å; F276-L300 HydrophobicContact CE2-CG 4.44Å; F279-L300 HydrophobicContact CD2-CD2 3.94Å; F279-L300 HydrophobicContact CE1-CD2 4.05Å; F279-L300 HydrophobicContact CE2-CD2 3.42Å; F279-L300 VanDerWaalsContact CE2-CD2 3.42Å; F279-L300 HydrophobicContact CG-CD2 4.48Å; F279-L300 HydrophobicContact CZ-CD2 3.46Å; F279-L300 VanDerWaalsContact CZ-CD2 3.46Å; A288-L300 WeakPolarHBondContact O-CA 3.23Å; L289-L300 HydrophobicContact CD1-CB 4.24Å; L289-L300 HydrophobicContact CD1-CD1 4.42Å; L300-I314 HydrophobicContact CD1-CG2 4.47Å; L300-I314 HydrophobicContact CD2-CG2 3.88Å
301Y96Very high94.2Very high64 Ų6452.1 Ų52.125%0.25130%0.297SS..EExtended strand (participates in β ladder)trans-113.9136.1177.6-65.4-98.4000110.4C59 T287 A288 S290 E299C59-Y301 HydrophobicContact CB-CD1 4.03Å; C59-Y301 HydrophobicContact CB-CE1 3.57Å; C59-Y301 HydrophobicContact CB-CE2 4.39Å; T287-Y301 WeakPolarHBondContact CA-O 3.49Å; A288-Y301 PolarHBondContact N-O 3.06Å; A288-Y301 PolarHBondContact O-N 3.37Å; S290-Y301 WeakPolarHBondContact OG-CE2 3.17Å; E299-Y301 HydrophobicContact CB-CD2 4.26Å; E299-Y301 HydrophobicContact CB-CE2 3.5Å; E299-Y301 PolarHBondContact OE2-OH 3.22Å
302L93Very high94.3Very high1 Ų149 Ų491%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-99.2131174.4-55.3177.6000109.3I54 K57 C60 T287 R304 V306 V312I54-L302 HydrophobicContact CG2-CD1 4.02Å; K57-L302 WeakPolarHBondContact CA-O 3.42Å; K57-L302 PolarHBondContact N-O 3.04Å; C60-L302 HydrophobicContact CB-CD1 4.03Å; C60-L302 HydrophobicContact CB-CG 4.09Å; T287-L302 HydrophobicContact CG2-CD2 3.83Å; L302-R304 PolarHBondContact O-N 2.93Å; L302-V306 HydrophobicContact CD1-CG2 3.7Å; L302-V312 HydrophobicContact CD1-CG1 3.64Å; L302-V312 HydrophobicContact CD2-CG1 3.99Å; L302-V312 HydrophobicContact CG-CG1 4.43Å
303E91.6Very high94.3Very high77 Ų7749.5 Ų49.536%0.3628%0.283SS..SBendtrans-80.8-6.8176.8-68.3-63155.600112.9S56 K57 P286S56-E303 WeakPolarHBondContact CB-O 3.38Å; S56-E303 PolarHBondContact OG-O 3.48Å; K57-E303 WeakPolarHBondContact CE-OE2 3.4Å; K57-E303 WeakPolarHBondContact CG-OE2 3.46Å; P286-E303 HydrophobicContact CB-CB 3.95Å; P286-E303 HydrophobicContact CB-CG 3.96Å; P286-E303 HydrophobicContact CG-CB 3.81Å; P286-E303 HydrophobicContact CG-CG 4.36Å; P286-E303 WeakPolarHBondContact O-CB 3.27Å; P286-E303 PolarHBondContact O-N 2.81Å; P286-E303 VanDerWaalsContact O-N 3.13Å
304R92.8Very high94.5Very high74 Ų7439.5 Ų39.528%0.27924%0.24SC..SBendtrans-119.1154.5174.873.7179.5-159.1-175.93.3111.6D282 V285 L302 E310D282-R304 IonicContact OD2-NH1 3.56Å; V285-R304 HydrophobicContact CG1-CG 4.44Å; V285-R304 VanDerWaalsContact CG2-CZ 3.42Å; V285-R304 VanDerWaalsContact CG2-NH1 3.25Å; L302-R304 PolarHBondContact O-N 2.93Å; R304-E310 IonicContact NH2-OE1 2.76Å
305S95.2Very high94.6Very high64 Ų6437.2 Ų37.245%0.44822%0.224SC..  trans-74.1146.5169.3-60.20000110.6I54 S56I54-S305 CarbonylContact O-C 3.38Å; I54-S305 WeakPolarHBondContact O-CA 3.33Å; S56-S305 PolarHBondContact N-OG 2.88Å; S56-S305 VanDerWaalsContact N-OG 3.07Å
306V95.7Very high94.8Very high2 Ų238.7 Ų38.71%0.01222%0.219CC..BIsolated β-bridgetrans-126.6130.8177.4-178.30000109A50 E53 I54 L302 E310 V312A50-V306 HydrophobicContact CB-CG1 3.96Å; E53-V306 WeakPolarHBondContact CA-O 3.09Å; I54-V306 HydrophobicContact CB-CB 4.41Å; I54-V306 PolarHBondContact N-O 3.46Å; I54-V306 PolarHBondContact O-N 3.39Å; L302-V306 HydrophobicContact CD1-CG2 3.7Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 4.03Å; V306-V312 HydrophobicContact CG1-CG2 4.07Å
307S96.9Very high94.7Very high74 Ų7436.7 Ų36.752%0.51721%0.214SC..  trans-77.6153.4-178.5-60.60000111.6G309 E310S307-G309 PolarHBondContact O-N 3.28Å; S307-E310 PolarHBondContact N-OE2 3.27Å; S307-E310 WeakPolarHBondContact O-CB 3.34Å; S307-E310 PolarHBondContact O-N 3.16Å
308A97Very high94.5Very high66 Ų6640.3 Ų40.355%0.54525%0.245SC..THydrogen-bonded Turntrans-56.8131.6173.100000111.1E310A308-E310 VanDerWaalsContact C-N 3.27Å; A308-E310 PolarHBondContact O-N 3.45Å
309G95.4Very high94.4Very high53 Ų5342.4 Ų42.455%0.54626%0.255SS..THydrogen-bonded Turntrans82.7-8.1-176.500000115A50 S307A50-G309 PolarHBondContact O-N 2.83Å; S307-G309 PolarHBondContact O-N 3.28Å
310E95.3Very high94.3Very high70 Ų7041.6 Ų41.633%0.32725%0.251SS..SBendtrans-76.5147.1174.8-168.8-172159.200110.7I49 A50 R304 V306 S307 A308 V312I49-E310 CarbonylContact C-O 3.48Å; I49-E310 VanDerWaalsContact CA-O 3.26Å; I49-E310 WeakPolarHBondContact CA-O 3.13Å; A50-E310 PolarHBondContact N-O 3.03Å; R304-E310 IonicContact NH2-OE1 2.76Å; V306-E310 HydrophobicContact CG1-CB 3.71Å; V306-E310 HydrophobicContact CG1-CG 4.03Å; S307-E310 PolarHBondContact N-OE2 3.27Å; S307-E310 WeakPolarHBondContact O-CB 3.34Å; S307-E310 PolarHBondContact O-N 3.16Å; A308-E310 VanDerWaalsContact C-N 3.27Å; A308-E310 PolarHBondContact O-N 3.45Å; E310-V312 PolarHBondContact O-N 2.86Å
311Q95.3Very high94.3Very high21 Ų2141.9 Ų41.910%0.09825%0.253CS..BIsolated β-bridgetrans-67.4130.7173-177.4169.6-157.500110.3L41 F43 L48 N280 L313L41-Q311 HydrophobicContact CD2-CB 4.13Å; L41-Q311 HydrophobicContact CD2-CG 4.11Å; F43-Q311 PolarHBondContact O-NE2 2.96Å; F43-Q311 PolarHBondContact O-OE1 3.34Å; L48-Q311 CarbonylContact O-C 3.55Å; L48-Q311 WeakPolarHBondContact O-CA 3.35Å; L48-Q311 WeakPolarHBondContact O-CG 3.43Å; N280-Q311 PolarHBondContact ND2-OE1 2.9Å; Q311-L313 HydrophobicContact CG-CD2 3.74Å; Q311-L313 HydrophobicContact CG-CG 4.05Å
312V95.5Very high94.4Very high0 Ų039.1 Ų39.10%024%0.242CC..PPolyproline II helixtrans-88.8116.3171.8-173.20000107.7L35 L48 A50 I54 F279 L302 V306 E310L35-V312 HydrophobicContact CD2-CB 4.13Å; L35-V312 HydrophobicContact CD2-CG1 4.43Å; L35-V312 HydrophobicContact CD2-CG2 3.6Å; L48-V312 PolarHBondContact O-N 3.44Å; A50-V312 HydrophobicContact CB-CG2 3.94Å; I54-V312 HydrophobicContact CD1-CG2 4.13Å; F279-V312 HydrophobicContact CD1-CB 4.23Å; F279-V312 HydrophobicContact CD1-CG1 3.98Å; F279-V312 HydrophobicContact CE1-CB 3.9Å; F279-V312 HydrophobicContact CE1-CG1 3.52Å; L302-V312 HydrophobicContact CD1-CG1 3.64Å; L302-V312 HydrophobicContact CD2-CG1 3.99Å; L302-V312 HydrophobicContact CG-CG1 4.43Å; V306-V312 HydrophobicContact CG1-CG2 4.07Å; E310-V312 PolarHBondContact O-N 2.86Å
313L94.8Very high94.5Very high20 Ų2040.1 Ų40.111%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-109.6153.5-179.3-60.8166.2000109N280 D282 V285 Q311N280-L313 HydrophobicContact CB-CD2 3.66Å; N280-L313 WeakPolarHBondContact O-CA 3.38Å; D282-L313 HydrophobicContact CB-CB 3.69Å; D282-L313 HydrophobicContact CB-CD1 3.72Å; D282-L313 HydrophobicContact CB-CG 4.21Å; V285-L313 WeakPolarHBondContact CG1-O 3.43Å; V285-L313 HydrophobicContact CG2-CB 4.31Å; Q311-L313 HydrophobicContact CG-CD2 3.74Å; Q311-L313 HydrophobicContact CG-CG 4.05Å
314I95Very high94.7Very high10 Ų1036.5 Ų36.55%0.05123%0.231CC..EExtended strand (participates in β ladder)trans-128.4164.1174.270.7174.5000110.3F276 F279 N280 H281 D282 T287 L300 Y316F276-I314 HydrophobicContact CE1-CD1 3.99Å; F276-I314 HydrophobicContact CZ-CD1 3.96Å; F279-I314 HydrophobicContact CB-CB 4.37Å; F279-I314 HydrophobicContact CB-CD1 3.59Å; F279-I314 HydrophobicContact CB-CG1 3.73Å; F279-I314 HydrophobicContact CB-CG2 3.79Å; F279-I314 HydrophobicContact CD1-CG2 3.83Å; F279-I314 HydrophobicContact CD2-CG2 4.31Å; F279-I314 HydrophobicContact CG-CD1 4.29Å; F279-I314 HydrophobicContact CG-CG2 3.73Å; N280-I314 PolarHBondContact O-N 2.78Å; H281-I314 CarbonylContact C-O 3.56Å; H281-I314 VanDerWaalsContact CA-O 3.26Å; H281-I314 WeakPolarHBondContact CA-O 3.25Å; H281-I314 PolarHBondContact ND1-O 3.03Å; D282-I314 PolarHBondContact N-O 3.06Å; T287-I314 HydrophobicContact CG2-CB 3.96Å; T287-I314 HydrophobicContact CG2-CG2 4.01Å; L300-I314 HydrophobicContact CD1-CG2 4.47Å; L300-I314 HydrophobicContact CD2-CG2 3.88Å; I314-Y316 HydrophobicContact CD1-CD1 4.02Å; I314-Y316 HydrophobicContact CD1-CE1 3.82Å; I314-Y316 HydrophobicContact CG1-CD1 3.74Å; I314-Y316 HydrophobicContact CG1-CE1 3.58Å
315N93.3Very high95Very high50 Ų5033 Ų3327%0.26722%0.218SC..  trans-94.1123.5172.2-170.7-25.5000109.8Q283 V285 G317Q283-N315 PolarHBondContact O-ND2 2.89Å; V285-N315 VanDerWaalsContact O-CB 3.24Å; V285-N315 WeakPolarHBondContact O-CB 3.28Å; N315-G317 VanDerWaalsContact C-N 3.32Å; N315-G317 VanDerWaalsContact OD1-C 3.24Å; N315-G317 WeakPolarHBondContact OD1-CA 3.34Å; N315-G317 PolarHBondContact OD1-N 3.11Å; N315-G317 PolarHBondContact OD1-O 2.95Å
316Y93.6Very high95Very high64 Ų6430.1 Ų30.125%0.25120%0.198SC..  trans-81.6-16.6178.6-67.9-5.1000112.2F279 N280 H281 I314 H319 Y328 F330F279-Y316 WeakPolarHBondContact O-CE1 3.32Å; F279-Y316 PolarHBondContact O-OH 3.39Å; N280-Y316 WeakPolarHBondContact CA-OH 3.25Å; H281-Y316 HydrophobicContact CB-CD1 4.23Å; H281-Y316 HydrophobicContact CB-CD2 3.69Å; H281-Y316 HydrophobicContact CB-CE1 4.21Å; H281-Y316 HydrophobicContact CB-CE2 3.69Å; H281-Y316 HydrophobicContact CB-CG 3.97Å; H281-Y316 PolarHBondContact CE1-N 2.95Å; H281-Y316 AromaticContact CG-CD2 4Å; H281-Y316 AromaticContact ND1-CG 3.71Å; H281-Y316 PolarHBondContact ND1-N 3.05Å; H281-Y316 VanDerWaalsContact ND1-N 3.13Å; I314-Y316 HydrophobicContact CD1-CD1 4.02Å; I314-Y316 HydrophobicContact CD1-CE1 3.82Å; I314-Y316 HydrophobicContact CG1-CD1 3.74Å; I314-Y316 HydrophobicContact CG1-CE1 3.58Å; Y316-H319 PolarHBondContact O-NE2 3.01Å; Y316-Y328 AromaticContact CD2-CD1 3.71Å; Y316-Y328 HydrophobicContact CD2-CD1 3.71Å; Y316-Y328 AromaticContact CD2-CE1 3.46Å; Y316-Y328 HydrophobicContact CD2-CE1 3.46Å; Y316-Y328 VanDerWaalsContact CD2-CE1 3.46Å; Y316-Y328 HydrophobicContact CD2-CG 4.42Å; Y316-Y328 AromaticContact CD2-CZ 3.98Å; Y316-Y328 AromaticContact CE2-CD1 3.83Å; Y316-Y328 HydrophobicContact CE2-CD1 3.83Å; Y316-Y328 AromaticContact CE2-CE1 3.94Å; Y316-Y328 HydrophobicContact CE2-CE1 3.94Å; Y316-Y328 HydrophobicContact CG-CE1 4.28Å; Y316-F330 HydrophobicContact CE2-CE1 4.27Å; Y316-F330 HydrophobicContact CE2-CZ 4.47Å
317G89.9Confident95Very high24 Ų2431.1 Ų31.125%0.24720%0.203CC..  trans140.8165.1-170.100000110.3N315 H319N315-G317 VanDerWaalsContact C-N 3.32Å; N315-G317 VanDerWaalsContact OD1-C 3.24Å; N315-G317 WeakPolarHBondContact OD1-CA 3.34Å; N315-G317 PolarHBondContact OD1-N 3.11Å; N315-G317 PolarHBondContact OD1-O 2.95Å; G317-H319 VanDerWaalsContact C-N 3.25Å; G317-H319 PolarHBondContact O-N 2.65Å
318A89.9Confident94.9Very high85 Ų8530.2 Ų30.270%0.70219%0.188SC*.SBendtrans-75.680.8171.100000109.5
319H93.1Very high94.8Very high44 Ų4428.5 Ų28.520%0.20418%0.176CC..  trans-105.2132.9-178.5-63.4-47.2000111.2Y316 G317 T323 L324 Y328 N340Y316-H319 PolarHBondContact O-NE2 3.01Å; G317-H319 VanDerWaalsContact C-N 3.25Å; G317-H319 PolarHBondContact O-N 2.65Å; H319-T323 HydrophobicContact CB-CG2 4.05Å; H319-L324 HydrophobicContact CB-CD2 3.63Å; H319-L324 HydrophobicContact CB-CG 3.83Å; H319-Y328 AromaticContact CD2-CE2 3.72Å; H319-Y328 AromaticContact NE2-CE2 3.83Å; H319-Y328 AromaticContact NE2-CZ 3.88Å; H319-Y328 PolarHBondContact NE2-OH 3.34Å; H319-Y328 VanDerWaalsContact NE2-OH 3.12Å; H319-N340 WeakPolarHBondContact O-CB 3.44Å
320D94.7Very high94.8Very high9 Ų928.7 Ų28.75%0.04816%0.162CC..  trans-71.7164.4167.264.177.9000111.4L322 T323 L324 N340 V342D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 3.06Å; D320-L322 VanDerWaalsContact OD1-CA 3.31Å; D320-L322 WeakPolarHBondContact OD1-CA 3.45Å; D320-L322 WeakPolarHBondContact OD1-CB 3.14Å; D320-L322 PolarHBondContact OD1-N 2.86Å; D320-T323 PolarHBondContact O-N 3.45Å; D320-T323 PolarHBondContact OD1-N 2.86Å; D320-T323 PolarHBondContact OD1-OG1 2.61Å; D320-T323 PolarHBondContact OD2-OG1 2.93Å; D320-L324 WeakPolarHBondContact O-CG 3.47Å; D320-L324 PolarHBondContact O-N 2.87Å; D320-N340 WeakPolarHBondContact CA-O 3.37Å; D320-V342 HydrophobicContact CB-CB 4.36Å
321N96.4Very high94.8Very high7 Ų726.1 Ų26.14%0.03715%0.151CC..Hα-helixtrans-66.6-25.3-178.7-79-53.1000114.4L325 I331 L332 E341 Y564N321-L325 WeakPolarHBondContact O-CB 3.5Å; N321-L325 PolarHBondContact O-N 3.38Å; N321-I331 HydrophobicContact CB-CG2 4.21Å; N321-L332 PolarHBondContact ND2-O 3.43Å; N321-L332 PolarHBondContact OD1-N 3.18Å; N321-L332 PolarHBondContact OD1-O 2.97Å; N321-E341 WeakPolarHBondContact CB-OE2 3.42Å; N321-E341 VanDerWaalsContact CG-OE2 3.28Å; N321-E341 PolarHBondContact N-OE2 3.24Å; N321-E341 PolarHBondContact ND2-OE2 2.97Å; N321-Y564 HydrophobicContact CB-CD2 4Å; N321-Y564 HydrophobicContact CB-CE2 3.97Å
322L97.2Very high94.7Very high7 Ų726.5 Ų26.54%0.03715%0.154CC..Hα-helixtrans-66.7-43.1174.4-176.756.2000110D166 I167 K170 D320 T326 Y564D166-L322 HydrophobicContact CB-CD2 4.4Å; I167-L322 HydrophobicContact CG1-CD1 4.22Å; I167-L322 HydrophobicContact CG1-CD2 4.47Å; K170-L322 HydrophobicContact CB-CD2 4.05Å; K170-L322 HydrophobicContact CB-CG 4.28Å; K170-L322 HydrophobicContact CG-CD2 4.35Å; K170-L322 HydrophobicContact CG-CG 4.1Å; D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 3.06Å; D320-L322 VanDerWaalsContact OD1-CA 3.31Å; D320-L322 WeakPolarHBondContact OD1-CA 3.45Å; D320-L322 WeakPolarHBondContact OD1-CB 3.14Å; D320-L322 PolarHBondContact OD1-N 2.86Å; L322-T326 HydrophobicContact CD1-CG2 3.97Å; L322-T326 WeakPolarHBondContact O-CB 3.4Å; L322-T326 VanDerWaalsContact O-CG2 3.28Å; L322-T326 WeakPolarHBondContact O-CG2 3.4Å; L322-T326 PolarHBondContact O-N 2.94Å; L322-T326 PolarHBondContact O-OG1 3.5Å; L322-Y564 HydrophobicContact CB-CE2 4.14Å; L322-Y564 WeakPolarHBondContact CB-OH 3.45Å; L322-Y564 HydrophobicContact CD1-CE1 4.44Å
323T96.3Very high94.6Very high21 Ų2129.7 Ų29.713%0.12917%0.174CC..Hα-helixtrans-65.3-46.9174.3-65.10000111.1H319 D320 L325 T326 E327H319-T323 HydrophobicContact CB-CG2 4.05Å; D320-T323 PolarHBondContact O-N 3.45Å; D320-T323 PolarHBondContact OD1-N 2.86Å; D320-T323 PolarHBondContact OD1-OG1 2.61Å; D320-T323 PolarHBondContact OD2-OG1 2.93Å; T323-L325 PolarHBondContact O-N 3.47Å; T323-T326 PolarHBondContact O-N 3.38Å; T323-E327 HydrophobicContact CG2-CG 4.01Å; T323-E327 VanDerWaalsContact O-CB 3.3Å; T323-E327 WeakPolarHBondContact O-CB 3.32Å; T323-E327 WeakPolarHBondContact O-CG 3.43Å; T323-E327 PolarHBondContact O-N 3.18Å
324L96.4Very high94.6Very high1 Ų130.5 Ų30.51%0.00518%0.177CC..Iπ-helixtrans-60.9-43.8177.4-67.3177.8000112.1H319 D320 Y328 G329 F330 L332H319-L324 HydrophobicContact CB-CD2 3.63Å; H319-L324 HydrophobicContact CB-CG 3.83Å; D320-L324 WeakPolarHBondContact O-CG 3.47Å; D320-L324 PolarHBondContact O-N 2.87Å; L324-Y328 HydrophobicContact CD2-CD2 3.99Å; L324-Y328 HydrophobicContact CD2-CE2 4.33Å; L324-Y328 CarbonylContact O-C 3.53Å; L324-Y328 WeakPolarHBondContact O-CA 3.37Å; L324-Y328 WeakPolarHBondContact O-CB 3.43Å; L324-Y328 PolarHBondContact O-N 3.03Å; L324-G329 PolarHBondContact O-N 2.95Å; L324-F330 CarbonylContact C-O 3.23Å; L324-F330 HydrophobicContact CB-CE2 4.38Å; L324-F330 HydrophobicContact CB-CZ 4.49Å; L324-F330 VanDerWaalsContact CB-O 3.27Å; L324-F330 WeakPolarHBondContact CB-O 3.44Å; L324-F330 HydrophobicContact CD1-CE2 4.01Å; L324-F330 HydrophobicContact CD1-CZ 4.4Å; L324-F330 HydrophobicContact CD2-CE1 4.37Å; L324-F330 HydrophobicContact CD2-CE2 4.17Å; L324-F330 HydrophobicContact CD2-CZ 3.72Å; L324-F330 HydrophobicContact CG-CE2 4.43Å; L324-F330 HydrophobicContact CG-CZ 4.43Å; L324-F330 PolarHBondContact O-N 3.16Å; L324-L332 HydrophobicContact CD1-CD1 3.75Å; L324-L332 HydrophobicContact CD1-CG 3.79Å
325L97.4Very high94.4Very high1 Ų133.2 Ų33.21%0.00519%0.191CC..Iπ-helixtrans-63.8-47.1178.6173.257.8000111.3P138 N321 T323 G329 F330 I331 E560 F561 Y564P138-L325 VanDerWaalsContact CD-O 3.26Å; P138-L325 WeakPolarHBondContact CD-O 3.43Å; P138-L325 HydrophobicContact CG-CD1 3.85Å; P138-L325 HydrophobicContact CG-CD2 4.17Å; P138-L325 HydrophobicContact CG-CG 3.72Å; N321-L325 WeakPolarHBondContact O-CB 3.5Å; N321-L325 PolarHBondContact O-N 3.38Å; T323-L325 PolarHBondContact O-N 3.47Å; L325-G329 WeakPolarHBondContact O-CA 3.43Å; L325-G329 PolarHBondContact O-N 3.37Å; L325-G329 VanDerWaalsContact O-N 3.11Å; L325-F330 WeakPolarHBondContact CA-O 3.24Å; L325-F330 PolarHBondContact N-O 3.3Å; L325-I331 HydrophobicContact CB-CG1 3.91Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å; L325-I331 HydrophobicContact CD1-CG1 4.1Å; L325-I331 HydrophobicContact CD2-CD1 4.24Å; L325-I331 HydrophobicContact CD2-CG1 4.45Å; L325-I331 HydrophobicContact CG-CD1 4.44Å; L325-I331 HydrophobicContact CG-CG1 4.35Å; L325-E560 HydrophobicContact CD1-CB 3.93Å; L325-F561 HydrophobicContact CD2-CD1 4.39Å; L325-F561 HydrophobicContact CD2-CE1 4.19Å; L325-F561 HydrophobicContact CD2-CZ 4.34Å; L325-Y564 HydrophobicContact CD2-CD1 4.45Å; L325-Y564 HydrophobicContact CD2-CD2 4.39Å; L325-Y564 HydrophobicContact CD2-CG 4.01Å
326T96.4Very high94Very high3 Ų335.9 Ų35.92%0.01820%0.202CC..Iπ-helixtrans-87.5-27.5-168.660.50000114.3P138 K170 L171 L174 L322 T323P138-T326 HydrophobicContact CG-CG2 4.29Å; K170-T326 WeakPolarHBondContact CE-OG1 3.48Å; K170-T326 HydrophobicContact CG-CG2 4.17Å; K170-T326 WeakPolarHBondContact CG-OG1 3.5Å; L171-T326 HydrophobicContact CD2-CG2 4.17Å; L174-T326 VanDerWaalsContact CD1-CB 3.4Å; L174-T326 HydrophobicContact CD1-CG2 4.3Å; L322-T326 HydrophobicContact CD1-CG2 3.97Å; L322-T326 WeakPolarHBondContact O-CB 3.4Å; L322-T326 VanDerWaalsContact O-CG2 3.28Å; L322-T326 WeakPolarHBondContact O-CG2 3.4Å; L322-T326 PolarHBondContact O-N 2.94Å; L322-T326 PolarHBondContact O-OG1 3.5Å; T323-T326 PolarHBondContact O-N 3.38Å
327E94.8Very high93.6Very high24 Ų2440.4 Ų40.411%0.11222%0.223CC..Iπ-helixtrans-99.6-28.5179.4-52.8-88.4-175.700112.4K170 L174 R177 N219 T323K170-E327 WeakPolarHBondContact CE-OE1 3.47Å; K170-E327 IonicContact NZ-OE1 3.89Å; K170-E327 PolarHBondContact NZ-OE1 3Å; L174-E327 WeakPolarHBondContact CD2-OE2 3.33Å; R177-E327 IonicContact CZ-OE1 3.59Å; R177-E327 IonicContact CZ-OE2 3.35Å; R177-E327 IonicContact NH1-OE1 3.36Å; R177-E327 PolarHBondContact NH1-OE1 2.82Å; R177-E327 IonicContact NH1-OE2 2.88Å; R177-E327 PolarHBondContact NH1-OE2 2.85Å; R177-E327 IonicContact NH2-OE1 2.63Å; R177-E327 IonicContact NH2-OE2 2.61Å; R177-E327 PolarHBondContact NH2-OE2 3.47Å; R177-E327 VanDerWaalsContact NH2-OE2 3.09Å; N219-E327 PolarHBondContact ND2-O 3.21Å; N219-E327 PolarHBondContact ND2-OE2 3.04Å; N219-E327 PolarHBondContact OD1-OE2 3.19Å; T323-E327 HydrophobicContact CG2-CG 4.01Å; T323-E327 VanDerWaalsContact O-CB 3.3Å; T323-E327 WeakPolarHBondContact O-CB 3.32Å; T323-E327 WeakPolarHBondContact O-CG 3.43Å; T323-E327 PolarHBondContact O-N 3.18Å
328Y95.5Very high93.3Very high55 Ų5542.5 Ų42.522%0.21623%0.229CC..Iπ-helixtrans-120.3-13.6-175.4-58.7-93.1000114.7Y316 H319 L324 F330Y316-Y328 AromaticContact CD2-CD1 3.71Å; Y316-Y328 HydrophobicContact CD2-CD1 3.71Å; Y316-Y328 AromaticContact CD2-CE1 3.46Å; Y316-Y328 HydrophobicContact CD2-CE1 3.46Å; Y316-Y328 VanDerWaalsContact CD2-CE1 3.46Å; Y316-Y328 HydrophobicContact CD2-CG 4.42Å; Y316-Y328 AromaticContact CD2-CZ 3.98Å; Y316-Y328 AromaticContact CE2-CD1 3.83Å; Y316-Y328 HydrophobicContact CE2-CD1 3.83Å; Y316-Y328 AromaticContact CE2-CE1 3.94Å; Y316-Y328 HydrophobicContact CE2-CE1 3.94Å; Y316-Y328 HydrophobicContact CG-CE1 4.28Å; H319-Y328 AromaticContact CD2-CE2 3.72Å; H319-Y328 AromaticContact NE2-CE2 3.83Å; H319-Y328 AromaticContact NE2-CZ 3.88Å; H319-Y328 PolarHBondContact NE2-OH 3.34Å; H319-Y328 VanDerWaalsContact NE2-OH 3.12Å; L324-Y328 HydrophobicContact CD2-CD2 3.99Å; L324-Y328 HydrophobicContact CD2-CE2 4.33Å; L324-Y328 CarbonylContact O-C 3.53Å; L324-Y328 WeakPolarHBondContact O-CA 3.37Å; L324-Y328 WeakPolarHBondContact O-CB 3.43Å; L324-Y328 PolarHBondContact O-N 3.03Å; Y328-F330 VanDerWaalsContact CB-CE1 3.45Å; Y328-F330 HydrophobicContact CG-CE1 4.15Å
329G94.7Very high93.2Very high29 Ų2939.2 Ų39.230%0.29920%0.2SC..SBendtrans78.126.3175.600000115.2L324 L325L324-G329 PolarHBondContact O-N 2.95Å; L325-G329 WeakPolarHBondContact O-CA 3.43Å; L325-G329 PolarHBondContact O-N 3.37Å; L325-G329 VanDerWaalsContact O-N 3.11Å
330F94.5Very high93.1Very high57 Ų5739.4 Ų39.425%0.2520%0.203CC..  trans-148163.1174.772.3-89.4000112.7H281 Y316 L324 L325 Y328 L332H281-F330 HydrophobicContact CB-CE1 4.44Å; H281-F330 HydrophobicContact CB-CE2 4.15Å; H281-F330 HydrophobicContact CB-CZ 3.53Å; H281-F330 AromaticContact CD2-CZ 3.85Å; Y316-F330 HydrophobicContact CE2-CE1 4.27Å; Y316-F330 HydrophobicContact CE2-CZ 4.47Å; L324-F330 CarbonylContact C-O 3.23Å; L324-F330 HydrophobicContact CB-CE2 4.38Å; L324-F330 HydrophobicContact CB-CZ 4.49Å; L324-F330 VanDerWaalsContact CB-O 3.27Å; L324-F330 WeakPolarHBondContact CB-O 3.44Å; L324-F330 HydrophobicContact CD1-CE2 4.01Å; L324-F330 HydrophobicContact CD1-CZ 4.4Å; L324-F330 HydrophobicContact CD2-CE1 4.37Å; L324-F330 HydrophobicContact CD2-CE2 4.17Å; L324-F330 HydrophobicContact CD2-CZ 3.72Å; L324-F330 HydrophobicContact CG-CE2 4.43Å; L324-F330 HydrophobicContact CG-CZ 4.43Å; L324-F330 PolarHBondContact O-N 3.16Å; L325-F330 WeakPolarHBondContact CA-O 3.24Å; L325-F330 PolarHBondContact N-O 3.3Å; Y328-F330 VanDerWaalsContact CB-CE1 3.45Å; Y328-F330 HydrophobicContact CG-CE1 4.15Å; F330-L332 HydrophobicContact CD2-CD2 4.44Å; F330-L332 HydrophobicContact CE2-CD2 4.02Å; F330-L332 HydrophobicContact CE2-CG 4.17Å
331I95.5Very high93.1Very high16 Ų1639.2 Ų39.28%0.08220%0.201CC..  trans-126.8135.6-179.3-61.6146.1000108.9N321 L325 E560 Y563 Q567N321-I331 HydrophobicContact CB-CG2 4.21Å; L325-I331 HydrophobicContact CB-CG1 3.91Å; L325-I331 HydrophobicContact CD1-CD1 3.94Å; L325-I331 HydrophobicContact CD1-CG1 4.1Å; L325-I331 HydrophobicContact CD2-CD1 4.24Å; L325-I331 HydrophobicContact CD2-CG1 4.45Å; L325-I331 HydrophobicContact CG-CD1 4.44Å; L325-I331 HydrophobicContact CG-CG1 4.35Å; I331-E560 WeakPolarHBondContact CD1-O 3.45Å; I331-Y563 HydrophobicContact CB-CD1 3.81Å; I331-Y563 HydrophobicContact CB-CE1 3.77Å; I331-Y563 HydrophobicContact CD1-CD1 3.73Å; I331-Y563 HydrophobicContact CG1-CD1 4.42Å; I331-Y563 HydrophobicContact CG2-CD1 3.86Å; I331-Y563 HydrophobicContact CG2-CE1 3.69Å; I331-Q567 HydrophobicContact CG2-CB 4.36Å; I331-Q567 HydrophobicContact CG2-CG 3.7Å
332L93.8Very high92.9Very high30 Ų3039.9 Ų39.916%0.15721%0.206CC..PPolyproline II helixtrans-85.6141.4171.5-66.9179.4000110.8Q283 N321 L324 F330 F334Q283-L332 HydrophobicContact CB-CD1 4.39Å; Q283-L332 HydrophobicContact CG-CD1 4.15Å; N321-L332 PolarHBondContact ND2-O 3.43Å; N321-L332 PolarHBondContact OD1-N 3.18Å; N321-L332 PolarHBondContact OD1-O 2.97Å; L324-L332 HydrophobicContact CD1-CD1 3.75Å; L324-L332 HydrophobicContact CD1-CG 3.79Å; F330-L332 HydrophobicContact CD2-CD2 4.44Å; F330-L332 HydrophobicContact CE2-CD2 4.02Å; F330-L332 HydrophobicContact CE2-CG 4.17Å; L332-F334 PolarHBondContact O-N 3.49Å
333P94.2Very high92.8Very high67 Ų6739.6 Ų39.644%0.43520%0.204SC..PPolyproline II helixtrans-58.4135.3167.8-17.429.4000110.5D335P333-D335 PolarHBondContact O-N 3.28Å
334F94Very high92.7Very high37 Ų3741.8 Ų41.816%0.16221%0.21CC..PPolyproline II helixtrans-65.3128.1177.1176-103.4000111L332 E336 T339 L449 Q567 C570 F571 S574L332-F334 PolarHBondContact O-N 3.49Å; F334-E336 HydrophobicContact CE1-CB 4.09Å; F334-E336 HydrophobicContact CZ-CB 4.07Å; F334-E336 HydrophobicContact CZ-CG 4.5Å; F334-T339 HydrophobicContact CE2-CG2 3.97Å; F334-L449 HydrophobicContact CE2-CD1 3.84Å; F334-L449 HydrophobicContact CZ-CD1 3.56Å; F334-Q567 HydrophobicContact CB-CB 4.29Å; F334-C570 HydrophobicContact CB-CB 4.19Å; F334-C570 HydrophobicContact CD1-CB 3.45Å; F334-C570 VanDerWaalsContact CD1-CB 3.45Å; F334-C570 HydrophobicContact CE1-CB 4.09Å; F334-C570 HydrophobicContact CG-CB 3.98Å; F334-F571 HydrophobicContact CD2-CB 3.89Å; F334-F571 HydrophobicContact CD2-CD2 4.48Å; F334-F571 HydrophobicContact CE2-CB 3.73Å; F334-F571 AromaticContact CE2-CD2 3.68Å; F334-F571 HydrophobicContact CE2-CD2 3.68Å; F334-F571 HydrophobicContact CE2-CG 4.19Å; F334-F571 HydrophobicContact CZ-CB 4.28Å; F334-F571 HydrophobicContact CZ-CD2 4.29Å; F334-S574 VanDerWaalsContact CE1-OG 3.3Å; F334-S574 WeakPolarHBondContact CE1-OG 3.34Å; F334-S574 WeakPolarHBondContact CZ-OG 3.33Å
335D91.1Very high92.6Very high66 Ų6641.9 Ų41.935%0.35321%0.211SC..  trans-129.9111170.9176.84.1000108.7P333 K337 N338 T339P333-D335 PolarHBondContact O-N 3.28Å; D335-K337 PolarHBondContact O-N 3.01Å; D335-K337 PolarHBondContact OD1-N 3.01Å; D335-N338 CarbonylContact O-C 3.58Å; D335-N338 VanDerWaalsContact O-C 3.23Å; D335-N338 PolarHBondContact O-N 3.34Å; D335-N338 PolarHBondContact OD2-ND2 2.9Å; D335-N338 VanDerWaalsContact OD2-ND2 3.13Å; D335-T339 VanDerWaalsContact O-CB 3.25Å; D335-T339 WeakPolarHBondContact O-CB 3.14Å; D335-T339 PolarHBondContact O-N 2.9Å
336E85Confident92.3Very high107 Ų10741.9 Ų41.950%0.521%0.211SC..THydrogen-bonded Turntrans-53.7-29.9-178-169.3-178.1-177.200113.5F334 L449F334-E336 HydrophobicContact CE1-CB 4.09Å; F334-E336 HydrophobicContact CZ-CB 4.07Å; F334-E336 HydrophobicContact CZ-CG 4.5Å; E336-L449 HydrophobicContact CG-CD1 4.3Å
337K84.4Confident91.9Very high159 Ų15943.7 Ų43.769%0.69122%0.218SC*.THydrogen-bonded Turntrans-81.8-25.8-178.8-66.1-179.6-179.4176.80113.2D335 S451D335-K337 PolarHBondContact O-N 3.01Å; D335-K337 PolarHBondContact OD1-N 3.01Å; K337-S451 WeakPolarHBondContact O-CB 3.26Å; K337-S451 PolarHBondContact O-OG 2.89Å
338N83.6Confident91.5Very high68 Ų6848.5 Ų48.536%0.36424%0.235SC..SBendtrans-144.573.9-165.4-64.3-52.1000108.3Q283 N284 D335Q283-N338 PolarHBondContact NE2-O 3.48Å; N284-N338 WeakPolarHBondContact OD1-CB 3.49Å; D335-N338 CarbonylContact O-C 3.58Å; D335-N338 VanDerWaalsContact O-C 3.23Å; D335-N338 PolarHBondContact O-N 3.34Å; D335-N338 PolarHBondContact OD2-ND2 2.9Å; D335-N338 VanDerWaalsContact OD2-ND2 3.13Å
339T88.3Confident91.4Very high15 Ų1546.4 Ų46.49%0.09223%0.227CC..  trans-136.8139.9-177.2-176.40000110.9F334 D335 E341 L449F334-T339 HydrophobicContact CE2-CG2 3.97Å; D335-T339 VanDerWaalsContact O-CB 3.25Å; D335-T339 WeakPolarHBondContact O-CB 3.14Å; D335-T339 PolarHBondContact O-N 2.9Å; T339-E341 WeakPolarHBondContact OG1-CB 3.47Å; T339-E341 PolarHBondContact OG1-N 3.43Å; T339-L449 HydrophobicContact CG2-CB 4.06Å; T339-L449 HydrophobicContact CG2-CD1 4.12Å
340N91.5Very high91.2Very high49 Ų4945 Ų4526%0.26221%0.213SC..  trans-101.216.9166.6-63.5-39.3000111.4Q283 H319 D320 V342Q283-N340 WeakPolarHBondContact CB-ND2 3.41Å; Q283-N340 PolarHBondContact OE1-ND2 3.17Å; H319-N340 WeakPolarHBondContact O-CB 3.44Å; D320-N340 WeakPolarHBondContact CA-O 3.37Å; N340-V342 PolarHBondContact O-N 3.32Å
341E93.6Very high90.8Very high4 Ų443.1 Ų43.12%0.01921%0.205CC..  trans-65.7131.7-176.8-162.866.5-166.200111N321 T339 F571N321-E341 WeakPolarHBondContact CB-OE2 3.42Å; N321-E341 VanDerWaalsContact CG-OE2 3.28Å; N321-E341 PolarHBondContact N-OE2 3.24Å; N321-E341 PolarHBondContact ND2-OE2 2.97Å; T339-E341 WeakPolarHBondContact OG1-CB 3.47Å; T339-E341 PolarHBondContact OG1-N 3.43Å; E341-F571 HydrophobicContact CB-CB 4.49Å; E341-F571 HydrophobicContact CB-CD1 4.25Å; E341-F571 HydrophobicContact CB-CD2 3.76Å; E341-F571 HydrophobicContact CB-CE1 4.43Å; E341-F571 HydrophobicContact CB-CE2 3.92Å; E341-F571 HydrophobicContact CB-CG 3.91Å; E341-F571 HydrophobicContact CB-CZ 4.26Å; E341-F571 HydrophobicContact CG-CB 3.9Å; E341-F571 HydrophobicContact CG-CD1 3.49Å; E341-F571 VanDerWaalsContact CG-CD1 3.49Å; E341-F571 HydrophobicContact CG-CD2 3.87Å; E341-F571 HydrophobicContact CG-CE1 3.91Å; E341-F571 HydrophobicContact CG-CE2 4.23Å; E341-F571 HydrophobicContact CG-CG 3.46Å; E341-F571 VanDerWaalsContact CG-CG 3.46Å; E341-F571 HydrophobicContact CG-CZ 4.25Å; E341-F571 WeakPolarHBondContact O-CE2 3.31Å; E341-F571 VanDerWaalsContact O-CZ 3.31Å; E341-F571 WeakPolarHBondContact O-CZ 3.47Å
342V93.4Very high90.5Very high22 Ų2245.6 Ų45.613%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-139.5139.5-178.4178.60000108.8D320 N340 Y344 Y446 L447D320-V342 HydrophobicContact CB-CB 4.36Å; N340-V342 PolarHBondContact O-N 3.32Å; V342-Y344 HydrophobicContact CB-CE2 4.34Å; V342-Y344 HydrophobicContact CG1-CD1 4.37Å; V342-Y344 HydrophobicContact CG1-CD2 4.29Å; V342-Y344 HydrophobicContact CG1-CE1 3.97Å; V342-Y344 HydrophobicContact CG1-CE2 3.91Å; V342-Y446 HydrophobicContact CG1-CD2 3.69Å; V342-Y446 HydrophobicContact CG1-CG 3.63Å; V342-L447 CarbonylContact C-O 3.6Å; V342-L447 VanDerWaalsContact CA-O 3.29Å; V342-L447 WeakPolarHBondContact CA-O 3.32Å
343I95.5Very high90.2Very high1 Ų144.3 Ų44.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-111.6116.6167.9-69.6168.3000108.6L345 Y446 L447 L515 R568 F571 I572I343-L345 HydrophobicContact CG2-CD2 3.91Å; I343-Y446 CarbonylContact O-C 3.55Å; I343-Y446 WeakPolarHBondContact O-CA 3.48Å; I343-Y446 WeakPolarHBondContact O-CB 3.19Å; I343-L447 HydrophobicContact CB-CB 4.39Å; I343-L447 PolarHBondContact N-O 3.35Å; I343-L447 PolarHBondContact O-N 2.7Å; I343-L515 HydrophobicContact CD1-CD1 4.27Å; I343-L515 HydrophobicContact CG2-CD1 4.31Å; I343-L515 HydrophobicContact CG2-CD2 4.24Å; I343-R568 HydrophobicContact CD1-CG 4.35Å; I343-F571 HydrophobicContact CB-CE1 4.41Å; I343-F571 HydrophobicContact CD1-CD1 3.77Å; I343-F571 HydrophobicContact CD1-CE1 3.7Å; I343-F571 HydrophobicContact CG1-CD1 4.09Å; I343-F571 HydrophobicContact CG1-CE1 3.72Å; I343-I572 HydrophobicContact CD1-CD1 3.87Å; I343-I572 HydrophobicContact CD1-CG1 3.47Å; I343-I572 VanDerWaalsContact CD1-CG1 3.47Å
344Y93.6Very high89.7Confident66 Ų6641.1 Ų41.126%0.25919%0.191SC..EExtended strand (participates in β ladder)trans-83.6130173.1-63-78.3000109.9V342 W442 Y446V342-Y344 HydrophobicContact CB-CE2 4.34Å; V342-Y344 HydrophobicContact CG1-CD1 4.37Å; V342-Y344 HydrophobicContact CG1-CD2 4.29Å; V342-Y344 HydrophobicContact CG1-CE1 3.97Å; V342-Y344 HydrophobicContact CG1-CE2 3.91Å; Y344-W442 WeakPolarHBondContact CD1-O 3.45Å; Y344-Y446 HydrophobicContact CE1-CD1 4.16Å; Y344-Y446 HydrophobicContact CE1-CG 4.35Å
345L93.6Very high89.1Confident4 Ų441.9 Ų41.92%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-95.5126.9176.6-57.9-175.1000109.1I343 F349 I350 V445 L447 L462 I511 L515I343-L345 HydrophobicContact CG2-CD2 3.91Å; L345-F349 HydrophobicContact CB-CD1 4.07Å; L345-F349 HydrophobicContact CD1-CD1 4.13Å; L345-F349 HydrophobicContact CD1-CE1 3.94Å; L345-F349 HydrophobicContact CD2-CD1 3.89Å; L345-F349 HydrophobicContact CD2-CE1 3.8Å; L345-F349 HydrophobicContact CD2-CG 4.38Å; L345-F349 HydrophobicContact CD2-CZ 4.19Å; L345-F349 HydrophobicContact CG-CD1 4.25Å; L345-F349 HydrophobicContact CG-CE1 4.35Å; L345-I350 HydrophobicContact CB-CD1 4.18Å; L345-I350 HydrophobicContact CB-CG1 4.05Å; L345-V445 PolarHBondContact N-O 3.19Å; L345-L447 HydrophobicContact CD2-CD1 4.46Å; L345-L462 HydrophobicContact CD1-CD1 3.81Å; L345-L462 HydrophobicContact CD1-CD2 3.59Å; L345-L462 HydrophobicContact CD1-CG 4.38Å; L345-L462 HydrophobicContact CG-CD2 4.33Å; L345-I511 HydrophobicContact CD1-CD1 4.38Å; L345-I511 HydrophobicContact CD1-CG2 4.19Å; L345-L515 HydrophobicContact CD2-CD2 4.32Å
346S90.7Very high88.7Confident1 Ų142.3 Ų42.31%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-77.9162.4-178.375.40000112.4N165 R348 F349 I350 D439 V440N165-S346 VanDerWaalsContact CB-OG 3.31Å; N165-S346 WeakPolarHBondContact CB-OG 3.4Å; S346-R348 VanDerWaalsContact C-N 3.28Å; S346-R348 PolarHBondContact O-N 3.48Å; S346-F349 PolarHBondContact O-N 2.97Å; S346-F349 WeakPolarHBondContact OG-CB 3.48Å; S346-F349 PolarHBondContact OG-N 3.47Å; S346-F349 VanDerWaalsContact OG-N 3.08Å; S346-I350 WeakPolarHBondContact O-CG1 3.2Å; S346-I350 PolarHBondContact O-N 3.31Å; S346-D439 WeakPolarHBondContact CB-OD2 3.11Å; S346-D439 PolarHBondContact OG-OD2 3.01Å; S346-V440 CarbonylContact C-O 3.59Å; S346-V440 WeakPolarHBondContact CA-O 3.19Å; S346-V440 VanDerWaalsContact CB-O 3.28Å; S346-V440 WeakPolarHBondContact CB-O 3.26Å
347Y88.7Confident88.3Confident41 Ų4138.6 Ų38.616%0.16118%0.181CC..Hα-helixtrans-51.2-50.5171.8173.4-87.1000110.8F349 I350 M351 F409 H410 L413 L420 D439 V440 W442Y347-F349 PolarHBondContact O-N 3.48Å; Y347-I350 PolarHBondContact O-N 2.81Å; Y347-M351 HydrophobicContact CD1-CG 4.19Å; Y347-M351 HydrophobicContact CE1-CG 3.67Å; Y347-M351 HydrophobicContact CE2-CG 4.15Å; Y347-M351 WeakPolarHBondContact O-CG 3.41Å; Y347-M351 PolarHBondContact O-N 2.96Å; Y347-F409 AromaticContact CD2-CE1 3.68Å; Y347-F409 HydrophobicContact CD2-CE1 3.68Å; Y347-F409 HydrophobicContact CD2-CZ 4.48Å; Y347-F409 AromaticContact CE2-CD1 3.83Å; Y347-F409 HydrophobicContact CE2-CD1 3.83Å; Y347-F409 AromaticContact CE2-CE1 3.43Å; Y347-F409 HydrophobicContact CE2-CE1 3.43Å; Y347-F409 VanDerWaalsContact CE2-CE1 3.43Å; Y347-H410 AromaticContact CE2-CE1 3.78Å; Y347-H410 AromaticContact CZ-CE1 3.81Å; Y347-H410 PolarHBondContact OH-CE1 3.45Å; Y347-H410 PolarHBondContact OH-NE2 2.53Å; Y347-L413 HydrophobicContact CD2-CD1 3.87Å; Y347-L413 HydrophobicContact CE2-CD1 3.83Å; Y347-L420 HydrophobicContact CD2-CD1 4.02Å; Y347-L420 HydrophobicContact CD2-CD2 3.88Å; Y347-L420 HydrophobicContact CD2-CG 4.23Å; Y347-L420 HydrophobicContact CE2-CD1 3.85Å; Y347-L420 HydrophobicContact CE2-CG 4.43Å; Y347-L420 HydrophobicContact CG-CD1 4.49Å; Y347-L420 HydrophobicContact CG-CD2 4.08Å; Y347-D439 PolarHBondContact N-OD1 3.19Å; Y347-V440 PolarHBondContact N-O 2.94Å; Y347-W442 AromaticContact CD2-CH2 3.67Å; Y347-W442 HydrophobicContact CD2-CH2 3.67Å; Y347-W442 HydrophobicContact CD2-CZ2 4.04Å; Y347-W442 HydrophobicContact CG-CH2 4.08Å
348R87.4Confident87.9Confident124 Ų12431.7 Ų31.747%0.46815%0.151SC..Hα-helixtrans-62.7-43.4179.3-174.1177.3175.4169.24.2112.3D160 S346 I350 M351 D352 D439D160-R348 IonicContact OD2-NH1 3.9Å; S346-R348 VanDerWaalsContact C-N 3.28Å; S346-R348 PolarHBondContact O-N 3.48Å; R348-I350 VanDerWaalsContact C-N 3.27Å; R348-I350 PolarHBondContact O-N 3Å; R348-M351 PolarHBondContact O-N 2.63Å; R348-D352 WeakPolarHBondContact CG-OD2 3.43Å; R348-D352 IonicContact NE-OD2 2.87Å; R348-D352 WeakPolarHBondContact O-CB 3.46Å; R348-D352 VanDerWaalsContact O-CG 3.26Å; R348-D352 PolarHBondContact O-N 3.08Å; R348-D439 HydrophobicContact CB-CB 4.34Å; R348-D439 WeakPolarHBondContact CB-OD1 3.31Å; R348-D439 WeakPolarHBondContact CB-OD2 3.3Å; R348-D439 PolarHBondContact N-OD1 2.83Å
349F92Very high87.5Confident11 Ų1131.8 Ų31.85%0.04815%0.151CC..Hα-helixtrans-56.4-47.1177.7-179.9-82.7000111L345 S346 Y347 D352 L353 I511 I514 L515L345-F349 HydrophobicContact CB-CD1 4.07Å; L345-F349 HydrophobicContact CD1-CD1 4.13Å; L345-F349 HydrophobicContact CD1-CE1 3.94Å; L345-F349 HydrophobicContact CD2-CD1 3.89Å; L345-F349 HydrophobicContact CD2-CE1 3.8Å; L345-F349 HydrophobicContact CD2-CG 4.38Å; L345-F349 HydrophobicContact CD2-CZ 4.19Å; L345-F349 HydrophobicContact CG-CD1 4.25Å; L345-F349 HydrophobicContact CG-CE1 4.35Å; S346-F349 PolarHBondContact O-N 2.97Å; S346-F349 WeakPolarHBondContact OG-CB 3.48Å; S346-F349 PolarHBondContact OG-N 3.47Å; S346-F349 VanDerWaalsContact OG-N 3.08Å; Y347-F349 PolarHBondContact O-N 3.48Å; F349-D352 PolarHBondContact O-N 3.09Å; F349-L353 WeakPolarHBondContact O-CB 3.22Å; F349-L353 PolarHBondContact O-N 3.46Å; F349-I511 HydrophobicContact CE1-CG1 4.23Å; F349-I511 HydrophobicContact CE1-CG2 4.04Å; F349-I511 HydrophobicContact CZ-CG2 4.01Å; F349-I514 HydrophobicContact CE2-CG2 3.73Å; F349-I514 HydrophobicContact CZ-CB 4.48Å; F349-I514 HydrophobicContact CZ-CG2 4.03Å; F349-L515 HydrophobicContact CE2-CD2 3.93Å; F349-L515 HydrophobicContact CZ-CD2 4.13Å; F349-L515 HydrophobicContact CZ-CG 4.34Å
350I90.7Very high86.8Confident0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-64.7-47-179.8-67.2179.8000109.8L345 S346 Y347 R348 D352 L353 F354 F409 W442 V445 L462 I465L345-I350 HydrophobicContact CB-CD1 4.18Å; L345-I350 HydrophobicContact CB-CG1 4.05Å; S346-I350 WeakPolarHBondContact O-CG1 3.2Å; S346-I350 PolarHBondContact O-N 3.31Å; Y347-I350 PolarHBondContact O-N 2.81Å; R348-I350 VanDerWaalsContact C-N 3.27Å; R348-I350 PolarHBondContact O-N 3Å; I350-D352 PolarHBondContact O-N 3.4Å; I350-L353 WeakPolarHBondContact O-CB 3.33Å; I350-L353 PolarHBondContact O-N 3.01Å; I350-F354 HydrophobicContact CG2-CD2 3.68Å; I350-F354 HydrophobicContact CG2-CE2 3.27Å; I350-F354 HydrophobicContact CG2-CZ 4.39Å; I350-F354 WeakPolarHBondContact O-CD2 3.31Å; I350-F354 PolarHBondContact O-N 3.19Å; I350-F354 VanDerWaalsContact O-N 3.11Å; I350-F409 HydrophobicContact CB-CZ 4.28Å; I350-F409 HydrophobicContact CG2-CE1 4.39Å; I350-F409 HydrophobicContact CG2-CE2 3.83Å; I350-F409 HydrophobicContact CG2-CZ 3.57Å; I350-W442 HydrophobicContact CD1-CZ3 4.07Å; I350-V445 HydrophobicContact CD1-CG1 3.73Å; I350-L462 HydrophobicContact CD1-CD1 4.29Å; I350-I465 HydrophobicContact CG2-CG2 4.02Å
351M86.3Confident85.6Confident18 Ų1834.9 Ų34.99%0.08917%0.169CC..Hα-helixtrans-61.7-44.2177.4-73.8-62.8-85.200113Y347 R348 L353 F354 H355 F409Y347-M351 HydrophobicContact CD1-CG 4.19Å; Y347-M351 HydrophobicContact CE1-CG 3.67Å; Y347-M351 HydrophobicContact CE2-CG 4.15Å; Y347-M351 WeakPolarHBondContact O-CG 3.41Å; Y347-M351 PolarHBondContact O-N 2.96Å; R348-M351 PolarHBondContact O-N 2.63Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 3.01Å; M351-F354 PolarHBondContact O-N 2.6Å; M351-H355 PolarHBondContact O-CD2 3.19Å; M351-H355 PolarHBondContact O-N 2.57Å; M351-F409 HydrophobicContact CE-CD1 4.37Å; M351-F409 HydrophobicContact CG-CD1 4Å; M351-F409 HydrophobicContact CG-CE1 3.81Å; M351-F409 HydrophobicContact SD-CB 4.29Å; M351-F409 HydrophobicContact SD-CD1 3.2Å; M351-F409 WeakPolarHBondContact SD-CD1 3.27Å; M351-F409 HydrophobicContact SD-CE1 3.63Å; M351-F409 HydrophobicContact SD-CG 3.93Å
352D88.1Confident84.3Confident67 Ų6736.7 Ų36.736%0.35818%0.178SC..Hα-helixtrans-62.4-40.1177.6-73.1-15000110.9R348 F349 I350 F354 H355 N356R348-D352 WeakPolarHBondContact CG-OD2 3.43Å; R348-D352 IonicContact NE-OD2 2.87Å; R348-D352 WeakPolarHBondContact O-CB 3.46Å; R348-D352 VanDerWaalsContact O-CG 3.26Å; R348-D352 PolarHBondContact O-N 3.08Å; F349-D352 PolarHBondContact O-N 3.09Å; I350-D352 PolarHBondContact O-N 3.4Å; D352-F354 VanDerWaalsContact C-N 3.26Å; D352-F354 PolarHBondContact O-N 3.28Å; D352-H355 PolarHBondContact O-N 3.33Å; D352-N356 WeakPolarHBondContact O-CB 3.42Å; D352-N356 VanDerWaalsContact O-CG 3.26Å; D352-N356 PolarHBondContact O-N 3.05Å; D352-N356 PolarHBondContact O-ND2 3.16Å
353L89.1Confident83Confident3 Ų340.2 Ų40.22%0.01620%0.2CC..Hα-helixtrans-56.3-43.4172.1178.270.4000110.9F349 I350 M351 L357 L466 R510 I511 I514F349-L353 WeakPolarHBondContact O-CB 3.22Å; F349-L353 PolarHBondContact O-N 3.46Å; I350-L353 WeakPolarHBondContact O-CB 3.33Å; I350-L353 PolarHBondContact O-N 3.01Å; M351-L353 VanDerWaalsContact C-N 3.32Å; M351-L353 PolarHBondContact O-N 3.01Å; L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 WeakPolarHBondContact O-CD1 3.15Å; L353-L357 VanDerWaalsContact O-CG 3.27Å; L353-L357 WeakPolarHBondContact O-CG 3.31Å; L353-L357 PolarHBondContact O-N 2.82Å; L353-L357 VanDerWaalsContact O-N 3.1Å; L353-L466 HydrophobicContact CD2-CD2 3.91Å; L353-R510 HydrophobicContact CD1-CG 4.28Å; L353-I511 HydrophobicContact CD1-CG1 4.18Å; L353-I511 HydrophobicContact CD2-CD1 3.69Å; L353-I511 HydrophobicContact CD2-CG1 3.59Å; L353-I514 HydrophobicContact CD1-CD1 3.79Å
354F82.9Confident81.3Confident0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-73.3-41.3-178.6-70.9-61.1000114.5I350 M351 D352 N356 L357 I358 L405 I465 L466 M469 I473I350-F354 HydrophobicContact CG2-CD2 3.68Å; I350-F354 HydrophobicContact CG2-CE2 3.27Å; I350-F354 HydrophobicContact CG2-CZ 4.39Å; I350-F354 WeakPolarHBondContact O-CD2 3.31Å; I350-F354 PolarHBondContact O-N 3.19Å; I350-F354 VanDerWaalsContact O-N 3.11Å; M351-F354 PolarHBondContact O-N 2.6Å; D352-F354 VanDerWaalsContact C-N 3.26Å; D352-F354 PolarHBondContact O-N 3.28Å; F354-N356 VanDerWaalsContact C-N 3.27Å; F354-N356 PolarHBondContact O-N 2.82Å; F354-L357 HydrophobicContact CD1-CD1 3.81Å; F354-L357 HydrophobicContact CE1-CD1 4.09Å; F354-L357 PolarHBondContact O-N 3.31Å; F354-L357 VanDerWaalsContact O-N 3.15Å; F354-I358 PolarHBondContact O-N 2.88Å; F354-L405 HydrophobicContact CB-CD2 3.84Å; F354-I465 HydrophobicContact CE2-CG2 4.3Å; F354-L466 HydrophobicContact CZ-CD2 3.98Å; F354-M469 HydrophobicContact CB-CE 3.73Å; F354-M469 HydrophobicContact CD1-CB 3.75Å; F354-M469 HydrophobicContact CD1-CE 3.48Å; F354-M469 VanDerWaalsContact CD1-CE 3.48Å; F354-M469 HydrophobicContact CD1-CG 4.3Å; F354-M469 HydrophobicContact CD2-CE 2.95Å; F354-M469 HydrophobicContact CD2-CG 4.28Å; F354-M469 HydrophobicContact CD2-SD 4.2Å; F354-M469 HydrophobicContact CE1-CB 2.99Å; F354-M469 HydrophobicContact CE1-CE 3.81Å; F354-M469 HydrophobicContact CE1-CG 3.62Å; F354-M469 HydrophobicContact CE1-SD 4.48Å; F354-M469 HydrophobicContact CE2-CB 3.88Å; F354-M469 HydrophobicContact CE2-CE 3.2Å; F354-M469 HydrophobicContact CE2-CG 3.46Å; F354-M469 VanDerWaalsContact CE2-CG 3.46Å; F354-M469 HydrophobicContact CE2-SD 3.86Å; F354-M469 HydrophobicContact CG-CE 3.08Å; F354-M469 HydrophobicContact CZ-CB 3.07Å; F354-M469 HydrophobicContact CZ-CE 3.68Å; F354-M469 HydrophobicContact CZ-CG 3.13Å; F354-M469 HydrophobicContact CZ-SD 4.09Å; F354-I473 HydrophobicContact CD1-CD1 4.13Å
355H81.5Confident79.6Confident54 Ų5444.7 Ų44.725%0.2523%0.229CC..Hα-helixtrans-56.1-46.4171.9-73.2-62.2000110.8M351 D352 L357 I358 D359 Y402M351-H355 PolarHBondContact O-CD2 3.19Å; M351-H355 PolarHBondContact O-N 2.57Å; D352-H355 PolarHBondContact O-N 3.33Å; H355-L357 VanDerWaalsContact C-N 3.31Å; H355-L357 PolarHBondContact O-N 2.87Å; H355-I358 PolarHBondContact O-N 3.15Å; H355-D359 PolarHBondContact O-N 3.11Å; H355-Y402 HydrophobicContact CB-CE1 4.21Å; H355-Y402 AromaticContact CE1-CD1 3.37Å; H355-Y402 WeakPolarHBondContact CE1-CD1 3.42Å; H355-Y402 AromaticContact CE1-CE1 3.87Å; H355-Y402 AromaticContact CG-CE1 3.96Å; H355-Y402 AromaticContact ND1-CD1 2.95Å; H355-Y402 WeakPolarHBondContact ND1-CD1 3.43Å; H355-Y402 AromaticContact ND1-CE1 2.97Å; H355-Y402 WeakPolarHBondContact ND1-CE1 3.35Å; H355-Y402 AromaticContact ND1-CG 3.88Å; H355-Y402 AromaticContact ND1-CZ 3.86Å; H355-Y402 PolarHBondContact O-OH 2.67Å
356N82.2Confident77.8Confident74 Ų7445.6 Ų45.640%0.39624%0.236SC..Hα-helixtrans-63.1-33.5177.7-76.5-47.8000113.8D352 F354 S360D352-N356 WeakPolarHBondContact O-CB 3.42Å; D352-N356 VanDerWaalsContact O-CG 3.26Å; D352-N356 PolarHBondContact O-N 3.05Å; D352-N356 PolarHBondContact O-ND2 3.16Å; F354-N356 VanDerWaalsContact C-N 3.27Å; F354-N356 PolarHBondContact O-N 2.82Å; N356-S360 WeakPolarHBondContact O-CB 3.27Å; N356-S360 PolarHBondContact O-N 3.43Å; N356-S360 VanDerWaalsContact O-N 3.08Å; N356-S360 PolarHBondContact O-OG 3.2Å
357L77.5Confident75.8Confident30 Ų3048.6 Ų48.616%0.15726%0.257CS..Hα-helixtrans-68.5-42.2175.4-72.7162.1000111.5L353 F354 H355 F361 I473 L507L353-L357 HydrophobicContact CG-CD1 4.19Å; L353-L357 WeakPolarHBondContact O-CD1 3.15Å; L353-L357 VanDerWaalsContact O-CG 3.27Å; L353-L357 WeakPolarHBondContact O-CG 3.31Å; L353-L357 PolarHBondContact O-N 2.82Å; L353-L357 VanDerWaalsContact O-N 3.1Å; F354-L357 HydrophobicContact CD1-CD1 3.81Å; F354-L357 HydrophobicContact CE1-CD1 4.09Å; F354-L357 PolarHBondContact O-N 3.31Å; F354-L357 VanDerWaalsContact O-N 3.15Å; H355-L357 VanDerWaalsContact C-N 3.31Å; H355-L357 PolarHBondContact O-N 2.87Å; L357-F361 PolarHBondContact O-N 2.83Å; L357-F361 VanDerWaalsContact O-N 3.15Å; L357-I473 HydrophobicContact CB-CD1 4.2Å; L357-I473 HydrophobicContact CD1-CD1 4.5Å; L357-L507 HydrophobicContact CD1-CD2 3.43Å; L357-L507 VanDerWaalsContact CD1-CD2 3.43Å; L357-L507 HydrophobicContact CD2-CD2 3.56Å; L357-L507 HydrophobicContact CG-CD2 4.14Å
358I75.7Confident73.8Confident14 Ų1451.1 Ų51.17%0.07227%0.273CS..Hα-helixtrans-64.1-48.5175.5-69.3-179.5000110.7F354 H355 S360 F361 I362 Y402 L405F354-I358 PolarHBondContact O-N 2.88Å; H355-I358 PolarHBondContact O-N 3.15Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.35Å; I358-F361 WeakPolarHBondContact O-CB 3.34Å; I358-F361 PolarHBondContact O-N 2.95Å; I358-I362 HydrophobicContact CG2-CD1 3.62Å; I358-I362 HydrophobicContact CG2-CG1 4.29Å; I358-I362 WeakPolarHBondContact O-CG1 3.3Å; I358-I362 PolarHBondContact O-N 2.99Å; I358-Y402 HydrophobicContact CB-CE1 3.95Å; I358-Y402 HydrophobicContact CD1-CD1 4.13Å; I358-Y402 HydrophobicContact CD1-CE1 3.95Å; I358-Y402 HydrophobicContact CG2-CE1 3.79Å; I358-L405 HydrophobicContact CD1-CB 4.16Å; I358-L405 HydrophobicContact CD1-CD1 4.4Å; I358-L405 HydrophobicContact CD1-CD2 3.29Å; I358-L405 HydrophobicContact CD1-CG 4.11Å; I358-L405 HydrophobicContact CG1-CD2 4.34Å
359D75.2Confident71.7Confident69 Ų6948.9 Ų48.937%0.36928%0.276SS..Hα-helixtrans-60.8-40.6179.9-80.6-27.8000112.1H355 F361 I362 T363 Y402H355-D359 PolarHBondContact O-N 3.11Å; D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.47Å; D359-I362 PolarHBondContact O-N 2.71Å; D359-T363 WeakPolarHBondContact O-CB 3.46Å; D359-T363 PolarHBondContact O-N 3.13Å; D359-T363 PolarHBondContact O-OG1 3.25Å; D359-Y402 PolarHBondContact OD1-OH 3.09Å; D359-Y402 PolarHBondContact OD2-OH 3.2Å
360S73.4Confident69.4Low56 Ų5654.9 Ų54.939%0.39231%0.307SS..Hα-helixtrans-58.9-42.5174.9-58.20000111.1N356 I358 L364N356-S360 WeakPolarHBondContact O-CB 3.27Å; N356-S360 PolarHBondContact O-N 3.43Å; N356-S360 VanDerWaalsContact O-N 3.08Å; N356-S360 PolarHBondContact O-OG 3.2Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.35Å; S360-L364 PolarHBondContact O-N 2.98Å; S360-L364 VanDerWaalsContact O-N 3.13Å
361F66.3Low66.8Low73 Ų7359.3 Ų59.332%0.3234%0.338SS..Hα-helixtrans-67.2-45.6178.8172.6-99.8000112.6L357 I358 D359 T363 L364 T365 N477L357-F361 PolarHBondContact O-N 2.83Å; L357-F361 VanDerWaalsContact O-N 3.15Å; I358-F361 WeakPolarHBondContact O-CB 3.34Å; I358-F361 PolarHBondContact O-N 2.95Å; D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.47Å; F361-T363 VanDerWaalsContact C-N 3.28Å; F361-T363 PolarHBondContact O-N 3.23Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 2.8Å; F361-L364 VanDerWaalsContact O-N 3.15Å; F361-T365 HydrophobicContact CD1-CG2 4.38Å; F361-T365 HydrophobicContact CD2-CG2 4.24Å; F361-T365 HydrophobicContact CE1-CG2 3.83Å; F361-T365 HydrophobicContact CE2-CG2 3.67Å; F361-T365 HydrophobicContact CZ-CG2 3.45Å; F361-T365 VanDerWaalsContact CZ-CG2 3.45Å; F361-T365 PolarHBondContact O-N 3.04Å; F361-T365 PolarHBondContact O-OG1 3.02Å; F361-N477 HydrophobicContact CE2-CB 4.25Å; F361-N477 VanDerWaalsContact CE2-CG 3.48Å; F361-N477 WeakPolarHBondContact CE2-OD1 3.37Å; F361-N477 HydrophobicContact CZ-CB 4.38Å; F361-N477 WeakPolarHBondContact CZ-OD1 3.42Å
362I66.6Low64.3Low43 Ų4362.5 Ų62.522%0.22136%0.362CS..Hα-helixtrans-65.1-38.5-178.8-67.3176.9000110.3I358 D359 L364 T365 S366 L398I358-I362 HydrophobicContact CG2-CD1 3.62Å; I358-I362 HydrophobicContact CG2-CG1 4.29Å; I358-I362 WeakPolarHBondContact O-CG1 3.3Å; I358-I362 PolarHBondContact O-N 2.99Å; D359-I362 PolarHBondContact O-N 2.71Å; I362-L364 VanDerWaalsContact C-N 3.34Å; I362-L364 PolarHBondContact O-N 3.42Å; I362-T365 WeakPolarHBondContact CA-OG1 3.33Å; I362-T365 PolarHBondContact O-OG1 2.9Å; I362-S366 WeakPolarHBondContact O-CB 3.23Å; I362-S366 PolarHBondContact O-N 3.23Å; I362-S366 PolarHBondContact O-OG 3.18Å; I362-L398 HydrophobicContact CD1-CD1 3.06Å; I362-L398 HydrophobicContact CG1-CD1 4.5Å
363T65.7Low61.7Low96 Ų9664.5 Ų64.559%0.58938%0.38SS*.Hα-helixtrans-62.6-42.4174.5-51.80000111.3D359 F361 S366 S367D359-T363 WeakPolarHBondContact O-CB 3.46Å; D359-T363 PolarHBondContact O-N 3.13Å; D359-T363 PolarHBondContact O-OG1 3.25Å; F361-T363 VanDerWaalsContact C-N 3.28Å; F361-T363 PolarHBondContact O-N 3.23Å; T363-S366 WeakPolarHBondContact O-CB 3.3Å; T363-S366 PolarHBondContact O-N 3.12Å; T363-S367 PolarHBondContact O-N 3.31Å; T363-S367 VanDerWaalsContact O-N 3.15Å; T363-S367 PolarHBondContact O-OG 3.45Å
364L59.9Low58.7Low107 Ų10771.4 Ų71.456%0.5642%0.417SS*.Hα-helixtrans-64-49.3178.9-153.689.2000112.2S360 F361 I362 S366 S367 I368S360-L364 PolarHBondContact O-N 2.98Å; S360-L364 VanDerWaalsContact O-N 3.13Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 2.8Å; F361-L364 VanDerWaalsContact O-N 3.15Å; I362-L364 VanDerWaalsContact C-N 3.34Å; I362-L364 PolarHBondContact O-N 3.42Å; L364-S366 VanDerWaalsContact C-N 3.28Å; L364-S366 PolarHBondContact O-N 2.87Å; L364-S367 PolarHBondContact O-N 3.27Å; L364-S367 VanDerWaalsContact O-N 3.09Å; L364-S367 PolarHBondContact O-OG 2.96Å; L364-I368 HydrophobicContact CD2-CD1 4.44Å; L364-I368 HydrophobicContact CG-CD1 4.49Å; L364-I368 WeakPolarHBondContact O-CG1 2.82Å; L364-I368 PolarHBondContact O-N 3.29Å; L364-I368 VanDerWaalsContact O-N 3.12Å
365T57.9Low56.1Low53 Ų5377.4 Ų77.433%0.32546%0.459SS..Hα-helixtrans-63.5-34.4179.651.60000112.6F361 I362 S367 S369F361-T365 HydrophobicContact CD1-CG2 4.38Å; F361-T365 HydrophobicContact CD2-CG2 4.24Å; F361-T365 HydrophobicContact CE1-CG2 3.83Å; F361-T365 HydrophobicContact CE2-CG2 3.67Å; F361-T365 HydrophobicContact CZ-CG2 3.45Å; F361-T365 VanDerWaalsContact CZ-CG2 3.45Å; F361-T365 PolarHBondContact O-N 3.04Å; F361-T365 PolarHBondContact O-OG1 3.02Å; I362-T365 WeakPolarHBondContact CA-OG1 3.33Å; I362-T365 PolarHBondContact O-OG1 2.9Å; T365-S367 VanDerWaalsContact C-N 3.35Å; T365-S369 PolarHBondContact O-N 3.3Å; T365-S369 PolarHBondContact O-OG 3.04Å
366S56.2Low53.5Low23 Ų2379.1 Ų79.116%0.16148%0.482CS..Hα-helixtrans-62-40.4172.5-55.10000112.9I362 T363 L364 S369 I370 K394I362-S366 WeakPolarHBondContact O-CB 3.23Å; I362-S366 PolarHBondContact O-N 3.23Å; I362-S366 PolarHBondContact O-OG 3.18Å; T363-S366 WeakPolarHBondContact O-CB 3.3Å; T363-S366 PolarHBondContact O-N 3.12Å; L364-S366 VanDerWaalsContact C-N 3.28Å; L364-S366 PolarHBondContact O-N 2.87Å; S366-S369 PolarHBondContact O-OG 2.76Å; S366-I370 WeakPolarHBondContact O-CD1 2.85Å; S366-I370 WeakPolarHBondContact O-CG1 3.43Å; S366-K394 VanDerWaalsContact CB-NZ 3.34Å; S366-K394 WeakPolarHBondContact OG-CE 3.17Å; S366-K394 PolarHBondContact OG-NZ 3.42Å
367S47.6Very low50.9Low64 Ų6481.8 Ų81.845%0.44850%0.502SS..Hα-helixtrans-74.8-35.3-177.461.80000112.6T363 L364 T365 I370 S371T363-S367 PolarHBondContact O-N 3.31Å; T363-S367 VanDerWaalsContact O-N 3.15Å; T363-S367 PolarHBondContact O-OG 3.45Å; L364-S367 PolarHBondContact O-N 3.27Å; L364-S367 VanDerWaalsContact O-N 3.09Å; L364-S367 PolarHBondContact O-OG 2.96Å; T365-S367 VanDerWaalsContact C-N 3.35Å; S367-I370 PolarHBondContact O-N 2.9Å; S367-S371 PolarHBondContact O-N 3.38Å
368I47.2Very low48.6Very low95 Ų9587.4 Ų87.449%0.48754%0.537SS..Hα-helixtrans-64.5-43.7177.2-66.1166.1000110.7L364 I370 S371 S372L364-I368 HydrophobicContact CD2-CD1 4.44Å; L364-I368 HydrophobicContact CG-CD1 4.49Å; L364-I368 WeakPolarHBondContact O-CG1 2.82Å; L364-I368 PolarHBondContact O-N 3.29Å; L364-I368 VanDerWaalsContact O-N 3.12Å; I368-I370 PolarHBondContact O-N 2.87Å; I368-S371 PolarHBondContact O-N 3.28Å; I368-S371 VanDerWaalsContact O-N 3.08Å; I368-S371 PolarHBondContact O-OG 3.03Å; I368-S372 PolarHBondContact O-N 3.38Å
369S43.7Very low46.2Very low76 Ų7691.2 Ų91.253%0.53157%0.565SS.*Hα-helixtrans-67.2-17.5-179.534.50000114.2T365 S366T365-S369 PolarHBondContact O-N 3.3Å; T365-S369 PolarHBondContact O-OG 3.04Å; S366-S369 PolarHBondContact O-OG 2.76Å
370I43.3Very low43.8Very low138 Ų13895 Ų9571%0.70859%0.585SS**Hα-helixtrans-89.4-26.8173.2-62.5167.7000111.3S366 S367 I368S366-I370 WeakPolarHBondContact O-CD1 2.85Å; S366-I370 WeakPolarHBondContact O-CG1 3.43Å; S367-I370 PolarHBondContact O-N 2.9Å; I368-I370 PolarHBondContact O-N 2.87Å
371S36.6Very low41.5Very low93 Ų93100.5 Ų100.565%0.6561%0.609SS**Hα-helixtrans-86.2-15.5-175.672.30000115.2S367 I368 C373S367-S371 PolarHBondContact O-N 3.38Å; I368-S371 PolarHBondContact O-N 3.28Å; I368-S371 VanDerWaalsContact O-N 3.08Å; I368-S371 PolarHBondContact O-OG 3.03Å; S371-C373 PolarHBondContact O-N 2.9Å
372S34.6Very low39.7Very low85 Ų85103.2 Ų103.259%0.59463%0.631SS**THydrogen-bonded Turntrans-91.717-175.464.40000115.1I368 D374I368-S372 PolarHBondContact O-N 3.38Å; S372-D374 PolarHBondContact O-N 2.92Å
373C32.7Very low37.7Very low108 Ų108110.2 Ų110.273%0.7366%0.663SS**  trans-87.159.3168.6-79.30000110.9S371S371-C373 PolarHBondContact O-N 2.9Å
374D26.9Very low35.8Very low149 Ų149110.2 Ų110.280%0.79767%0.667SS**SBendtrans-164.2133155.1-95.3-30.5000110.9S372S372-D374 PolarHBondContact O-N 2.92Å
375S27.8Very low34.2Very low126 Ų126114 Ų11488%0.88168%0.679SS**  trans85.2133.4174.481.80000118.5
376A27.5Very low32.8Very low90 Ų90117.1 Ų117.174%0.74470%0.699SS**  trans-76.7161.2-161.300000115.4
377T27.8Very low31.6Very low130 Ų130122.5 Ų122.580%0.79873%0.725SS**  trans88.480.6155.9-70000117
378V27.2Very low30.9Very low147 Ų147127.4 Ų127.489%0.89175%0.747SS**  trans-136.7109.6143.6-178.30000108.4
379S26Very low30.3Very low95 Ų95127.8 Ų127.866%0.66475%0.746SS**  trans-84.7143.8169.336.20000109.2
380N25.4Very low30.6Very low147 Ų147129.7 Ų129.779%0.78676%0.755SS**SBendtrans82.670.4169-52.1-19.8000117
381L25.6Very low30.3Very low173 Ų173127.9 Ų127.991%0.90675%0.75SS**SBendtrans-173.648.7145-108.1150.2000112.6
382V26.7Very low30.3Very low130 Ų130130.1 Ų130.179%0.78875%0.751SS**  trans-148.485.6164.8-172.60000108.9
383E25.3Very low30.8Very low189 Ų189128.5 Ų128.588%0.88374%0.735SS**  trans-106.5128.7152.1-86.8-173166.800107.6
384S25.1Very low31.2Very low97 Ų97128 Ų12868%0.67872%0.72SS**SBendtrans70.496.8-173.974.70000115.3
385F26.7Very low32Very low185 Ų185128.3 Ų128.381%0.81172%0.715SS**  -176.4101.9121.7-89.3-66.7000107.3
386T28.2Very low33.1Very low120 Ų120129 Ų12974%0.73670%0.702SS**  trans-86.2134.1172.343.40000110.3
387D31.2Very low34.5Very low135 Ų135128.7 Ų128.772%0.72269%0.687SS**SBendtrans70.9112150.3-58.7-27.5000120.8Q389D387-Q389 PolarHBondContact O-N 2.95Å; D387-Q389 VanDerWaalsContact O-N 3.12Å
388N33.4Very low36Very low168 Ų168124.8 Ų124.890%0.89866%0.661SS**SBendtrans59.919146.7-70.2-19.1000121
389Q35.1Very low37.8Very low102 Ų102121.5 Ų121.548%0.47764%0.643SS.*  trans-100.72.9-178.9-110.2170.8-7.800116.6D387 V391 E392 D393D387-Q389 PolarHBondContact O-N 2.95Å; D387-Q389 VanDerWaalsContact O-N 3.12Å; Q389-V391 PolarHBondContact O-N 3.24Å; Q389-E392 PolarHBondContact O-N 2.96Å; Q389-D393 WeakPolarHBondContact CB-OD2 3.5Å; Q389-D393 PolarHBondContact O-N 3.46Å; Q389-D393 VanDerWaalsContact O-N 3.16Å
390T48.6Very low39.8Very low117 Ų117123.4 Ų123.472%0.71864%0.641SS**THydrogen-bonded Turntrans-71.6-17.7-160.551.10000117
391V37.9Very low41.8Very low99 Ų99119.8 Ų119.860%0.662%0.619SS**THydrogen-bonded Turntrans-94.1-36.8175.9-179.20000111.6Q389 K394 F395Q389-V391 PolarHBondContact O-N 3.24Å; V391-K394 WeakPolarHBondContact O-CB 3.27Å; V391-K394 PolarHBondContact O-N 3.4Å; V391-F395 HydrophobicContact CG1-CD2 4.45Å; V391-F395 HydrophobicContact CG1-CE2 4.29Å; V391-F395 WeakPolarHBondContact O-CD2 3.43Å; V391-F395 PolarHBondContact O-N 3.06Å
392E37.5Very low43.9Very low141 Ų141113.7 Ų113.766%0.65958%0.584SS**Hα-helixtrans-75.9-34.6-176.7-140.4172.9-161.300112Q389 K394 F395 K396Q389-E392 PolarHBondContact O-N 2.96Å; E392-K394 VanDerWaalsContact C-N 3.34Å; E392-F395 PolarHBondContact O-N 3.4Å; E392-K396 PolarHBondContact O-N 3.15Å
393D44.7Very low46.1Very low51 Ų51115.1 Ų115.127%0.27358%0.576SS.*Hα-helixtrans-71.1-30.7173.3-72.8-24.6000112.2Q389 F395 K396 I397Q389-D393 WeakPolarHBondContact CB-OD2 3.5Å; Q389-D393 PolarHBondContact O-N 3.46Å; Q389-D393 VanDerWaalsContact O-N 3.16Å; D393-F395 VanDerWaalsContact C-N 3.29Å; D393-F395 PolarHBondContact O-N 2.91Å; D393-K396 PolarHBondContact O-N 3.36Å; D393-K396 VanDerWaalsContact O-N 3.08Å; D393-I397 HydrophobicContact CB-CD1 4.31Å; D393-I397 WeakPolarHBondContact O-CB 3.18Å; D393-I397 WeakPolarHBondContact O-CD1 3.41Å; D393-I397 VanDerWaalsContact O-CG1 3.22Å; D393-I397 WeakPolarHBondContact O-CG1 3.49Å; D393-I397 PolarHBondContact O-N 2.9Å
394K40.8Very low48.4Very low96 Ų96107.7 Ų107.742%0.41755%0.545SS..Hα-helixtrans-57.2-42.1173-117.4176.7177.4177.90112.1S366 V391 E392 K396 L398S366-K394 VanDerWaalsContact CB-NZ 3.34Å; S366-K394 WeakPolarHBondContact OG-CE 3.17Å; S366-K394 PolarHBondContact OG-NZ 3.42Å; V391-K394 WeakPolarHBondContact O-CB 3.27Å; V391-K394 PolarHBondContact O-N 3.4Å; E392-K394 VanDerWaalsContact C-N 3.34Å; K394-K396 VanDerWaalsContact C-N 3.31Å; K394-K396 PolarHBondContact O-N 2.87Å; K394-L398 WeakPolarHBondContact O-CB 3.31Å; K394-L398 PolarHBondContact O-N 2.64Å
395F42.6Very low50.8Low156 Ų156103.1 Ų103.168%0.68451%0.513SS*.Hα-helixtrans-72.8-19.3177.9-84.6-78.3000113.8V391 E392 D393 P399V391-F395 HydrophobicContact CG1-CD2 4.45Å; V391-F395 HydrophobicContact CG1-CE2 4.29Å; V391-F395 WeakPolarHBondContact O-CD2 3.43Å; V391-F395 PolarHBondContact O-N 3.06Å; E392-F395 PolarHBondContact O-N 3.4Å; D393-F395 VanDerWaalsContact C-N 3.29Å; D393-F395 PolarHBondContact O-N 2.91Å; F395-P399 WeakPolarHBondContact O-CD 3.28Å; F395-P399 WeakPolarHBondContact O-CG 3.37Å
396K51.4Low53.3Low140 Ų14094.8 Ų94.861%0.60948%0.479SS*.Hα-helixtrans-88.3-34.9174.1-75.5179.4-179.6167.30113.2E392 D393 K394E392-K396 PolarHBondContact O-N 3.15Å; D393-K396 PolarHBondContact O-N 3.36Å; D393-K396 VanDerWaalsContact O-N 3.08Å; K394-K396 VanDerWaalsContact C-N 3.31Å; K394-K396 PolarHBondContact O-N 2.87Å
397I57.4Low55.8Low84 Ų8492.7 Ų92.743%0.43146%0.463SS..Hα-helixtrans-74.6-40-177.3-69.1166.2000110.8D393 Q400 F401D393-I397 HydrophobicContact CB-CD1 4.31Å; D393-I397 WeakPolarHBondContact O-CB 3.18Å; D393-I397 WeakPolarHBondContact O-CD1 3.41Å; D393-I397 VanDerWaalsContact O-CG1 3.22Å; D393-I397 WeakPolarHBondContact O-CG1 3.49Å; D393-I397 PolarHBondContact O-N 2.9Å; I397-Q400 PolarHBondContact O-N 3.11Å; I397-F401 HydrophobicContact CG2-CD2 3.39Å; I397-F401 HydrophobicContact CG2-CE2 3.41Å; I397-F401 VanDerWaalsContact CG2-CE2 3.41Å; I397-F401 WeakPolarHBondContact O-CD2 3.42Å; I397-F401 PolarHBondContact O-N 3.27Å
398L59.7Low58.2Low48 Ų4886.2 Ų86.225%0.25143%0.429SS..Hα-helixtrans-60.1-47.5-176.3-175.875.3000114I362 K394 Q400 F401 Y402I362-L398 HydrophobicContact CD1-CD1 3.06Å; I362-L398 HydrophobicContact CG1-CD1 4.5Å; K394-L398 WeakPolarHBondContact O-CB 3.31Å; K394-L398 PolarHBondContact O-N 2.64Å; L398-Q400 VanDerWaalsContact C-N 3.32Å; L398-Q400 PolarHBondContact O-N 3Å; L398-F401 WeakPolarHBondContact O-CB 3.46Å; L398-F401 PolarHBondContact O-N 3.48Å; L398-Y402 HydrophobicContact CD1-CD2 4.16Å; L398-Y402 HydrophobicContact CD1-CE2 3.54Å; L398-Y402 HydrophobicContact CD2-CE2 4.05Å; L398-Y402 HydrophobicContact CG-CD2 3.9Å; L398-Y402 HydrophobicContact CG-CE2 3.55Å; L398-Y402 VanDerWaalsContact O-CD2 3.31Å; L398-Y402 WeakPolarHBondContact O-CD2 3.29Å; L398-Y402 PolarHBondContact O-N 2.74Å
399P65.4Low60.6Low78 Ų7878.2 Ų78.251%0.50639%0.386SS..Hα-helixtrans-61.8-37.8174.5-23.134.2000113.2F395 F401 Y402 Y403F395-P399 WeakPolarHBondContact O-CD 3.28Å; F395-P399 WeakPolarHBondContact O-CG 3.37Å; P399-F401 VanDerWaalsContact C-N 3.32Å; P399-F401 PolarHBondContact O-N 3.19Å; P399-Y402 PolarHBondContact O-N 3.32Å; P399-Y403 VanDerWaalsContact O-CB 3.3Å; P399-Y403 WeakPolarHBondContact O-CB 3.39Å; P399-Y403 PolarHBondContact O-N 2.78Å
400Q67Low62.9Low135 Ų13577.1 Ų77.163%0.63138%0.381SS*.Hα-helixtrans-66.1-35.4176.3-77.7-179.1-16.300112I397 L398 S404I397-Q400 PolarHBondContact O-N 3.11Å; L398-Q400 VanDerWaalsContact C-N 3.32Å; L398-Q400 PolarHBondContact O-N 3Å; Q400-S404 WeakPolarHBondContact O-CB 3.45Å; Q400-S404 PolarHBondContact O-N 3.45Å; Q400-S404 PolarHBondContact O-OG 3.14Å
401F67.4Low64.7Low72 Ų7275 Ų7532%0.31636%0.363SS..Hα-helixtrans-65-49.5173.8-98.1-75.3000112.1I397 L398 P399 Y403 S404 L405 I476I397-F401 HydrophobicContact CG2-CD2 3.39Å; I397-F401 HydrophobicContact CG2-CE2 3.41Å; I397-F401 VanDerWaalsContact CG2-CE2 3.41Å; I397-F401 WeakPolarHBondContact O-CD2 3.42Å; I397-F401 PolarHBondContact O-N 3.27Å; L398-F401 WeakPolarHBondContact O-CB 3.46Å; L398-F401 PolarHBondContact O-N 3.48Å; P399-F401 VanDerWaalsContact C-N 3.32Å; P399-F401 PolarHBondContact O-N 3.19Å; F401-Y403 VanDerWaalsContact C-N 3.27Å; F401-Y403 PolarHBondContact O-N 2.99Å; F401-S404 PolarHBondContact O-N 3.23Å; F401-L405 WeakPolarHBondContact O-CB 3.29Å; F401-L405 PolarHBondContact O-N 2.9Å; F401-I476 HydrophobicContact CD1-CD1 4.44Å; F401-I476 HydrophobicContact CE1-CD1 3.99Å; F401-I476 HydrophobicContact CE1-CG1 4.38Å; F401-I476 HydrophobicContact CE1-CG2 3.49Å; F401-I476 VanDerWaalsContact CE1-CG2 3.49Å; F401-I476 HydrophobicContact CZ-CG2 3.94Å
402Y69.7Low67Low45 Ų4570.3 Ų70.318%0.17633%0.334CS..Hα-helixtrans-60.7-40177.6-76-50.9000112.3H355 I358 D359 L398 P399 G406H355-Y402 HydrophobicContact CB-CE1 4.21Å; H355-Y402 AromaticContact CE1-CD1 3.37Å; H355-Y402 WeakPolarHBondContact CE1-CD1 3.42Å; H355-Y402 AromaticContact CE1-CE1 3.87Å; H355-Y402 AromaticContact CG-CE1 3.96Å; H355-Y402 AromaticContact ND1-CD1 2.95Å; H355-Y402 WeakPolarHBondContact ND1-CD1 3.43Å; H355-Y402 AromaticContact ND1-CE1 2.97Å; H355-Y402 WeakPolarHBondContact ND1-CE1 3.35Å; H355-Y402 AromaticContact ND1-CG 3.88Å; H355-Y402 AromaticContact ND1-CZ 3.86Å; H355-Y402 PolarHBondContact O-OH 2.67Å; I358-Y402 HydrophobicContact CB-CE1 3.95Å; I358-Y402 HydrophobicContact CD1-CD1 4.13Å; I358-Y402 HydrophobicContact CD1-CE1 3.95Å; I358-Y402 HydrophobicContact CG2-CE1 3.79Å; D359-Y402 PolarHBondContact OD1-OH 3.09Å; D359-Y402 PolarHBondContact OD2-OH 3.2Å; L398-Y402 HydrophobicContact CD1-CD2 4.16Å; L398-Y402 HydrophobicContact CD1-CE2 3.54Å; L398-Y402 HydrophobicContact CD2-CE2 4.05Å; L398-Y402 HydrophobicContact CG-CD2 3.9Å; L398-Y402 HydrophobicContact CG-CE2 3.55Å; L398-Y402 VanDerWaalsContact O-CD2 3.31Å; L398-Y402 WeakPolarHBondContact O-CD2 3.29Å; L398-Y402 PolarHBondContact O-N 2.74Å; P399-Y402 PolarHBondContact O-N 3.32Å; Y402-G406 PolarHBondContact O-N 3.41Å
403Y72.6Confident69.4Low160 Ų16063.7 Ų63.763%0.62730%0.303SS*.Hα-helixtrans-61.7-46.9174-177.4-104.3000112.3P399 F401 G406 L407P399-Y403 VanDerWaalsContact O-CB 3.3Å; P399-Y403 WeakPolarHBondContact O-CB 3.39Å; P399-Y403 PolarHBondContact O-N 2.78Å; F401-Y403 VanDerWaalsContact C-N 3.27Å; F401-Y403 PolarHBondContact O-N 2.99Å; Y403-G406 PolarHBondContact O-N 3.42Å; Y403-L407 HydrophobicContact CD1-CD1 3.82Å; Y403-L407 HydrophobicContact CE1-CD1 3.28Å; Y403-L407 HydrophobicContact CE1-CG 4.14Å; Y403-L407 HydrophobicContact CE2-CD1 4.41Å; Y403-L407 HydrophobicContact CE2-CG 4.47Å; Y403-L407 WeakPolarHBondContact O-CG 3.29Å; Y403-L407 PolarHBondContact O-N 2.74Å
404S75Confident71.4Confident33 Ų3367.5 Ų67.523%0.23132%0.32CS..Hα-helixtrans-65.9-39.9179.9-56.70000112.2Q400 F401 Y408Q400-S404 WeakPolarHBondContact O-CB 3.45Å; Q400-S404 PolarHBondContact O-N 3.45Å; Q400-S404 PolarHBondContact O-OG 3.14Å; F401-S404 PolarHBondContact O-N 3.23Å; S404-Y408 WeakPolarHBondContact O-CB 3.39Å; S404-Y408 PolarHBondContact O-N 3.34Å
405L75Confident73.6Confident0 Ų068 Ų680%032%0.321CS..Hα-helixtrans-63.7-47.3174.2-178.375.5000110.8F354 I358 F401 L407 Y408 F409 M469 F472F354-L405 HydrophobicContact CB-CD2 3.84Å; I358-L405 HydrophobicContact CD1-CB 4.16Å; I358-L405 HydrophobicContact CD1-CD1 4.4Å; I358-L405 HydrophobicContact CD1-CD2 3.29Å; I358-L405 HydrophobicContact CD1-CG 4.11Å; I358-L405 HydrophobicContact CG1-CD2 4.34Å; F401-L405 WeakPolarHBondContact O-CB 3.29Å; F401-L405 PolarHBondContact O-N 2.9Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.28Å; L405-Y408 WeakPolarHBondContact O-CB 3.45Å; L405-Y408 PolarHBondContact O-N 3.35Å; L405-Y408 VanDerWaalsContact O-N 3.16Å; L405-F409 WeakPolarHBondContact O-CB 3.49Å; L405-F409 PolarHBondContact O-N 3Å; L405-M469 HydrophobicContact CD1-CE 3.79Å; L405-M469 HydrophobicContact CD2-CE 4.21Å; L405-M469 HydrophobicContact CG-CE 4.07Å; L405-F472 HydrophobicContact CB-CE1 4.2Å; L405-F472 HydrophobicContact CD1-CD1 3.49Å; L405-F472 VanDerWaalsContact CD1-CD1 3.49Å; L405-F472 HydrophobicContact CD1-CE1 3.6Å
406G77.7Confident75.7Confident10 Ų1060.8 Ų60.810%0.10329%0.29CS..Hα-helixtrans-57.7-46.9178.100000111.5Y402 Y403 Y408 F409 H410Y402-G406 PolarHBondContact O-N 3.41Å; Y403-G406 PolarHBondContact O-N 3.42Å; G406-Y408 PolarHBondContact O-N 2.58Å; G406-F409 PolarHBondContact O-N 3.35Å; G406-H410 PolarHBondContact O-CD2 3.14Å; G406-H410 PolarHBondContact O-N 2.87Å
407L81Confident77.3Confident76 Ų7661.2 Ų61.240%0.39830%0.299SS..Hα-helixtrans-58.9-44.8174.1-75.5176.3000112.5Y403 L405 F409 H410 Q411Y403-L407 HydrophobicContact CD1-CD1 3.82Å; Y403-L407 HydrophobicContact CE1-CD1 3.28Å; Y403-L407 HydrophobicContact CE1-CG 4.14Å; Y403-L407 HydrophobicContact CE2-CD1 4.41Å; Y403-L407 HydrophobicContact CE2-CG 4.47Å; Y403-L407 WeakPolarHBondContact O-CG 3.29Å; Y403-L407 PolarHBondContact O-N 2.74Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.28Å; L407-F409 VanDerWaalsContact C-N 3.35Å; L407-H410 PolarHBondContact O-N 2.87Å; L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.49Å
408Y81.8Confident78.5Confident0 Ų057.9 Ų57.90%028%0.282CS..Hα-helixtrans-61.8-44.1177.6-173.6-104.8000111.4S404 L405 G406 Q411 I412 L468 F472 C485 Y486 L489S404-Y408 WeakPolarHBondContact O-CB 3.39Å; S404-Y408 PolarHBondContact O-N 3.34Å; L405-Y408 WeakPolarHBondContact O-CB 3.45Å; L405-Y408 PolarHBondContact O-N 3.35Å; L405-Y408 VanDerWaalsContact O-N 3.16Å; G406-Y408 PolarHBondContact O-N 2.58Å; Y408-Q411 WeakPolarHBondContact O-CB 3.34Å; Y408-Q411 PolarHBondContact O-N 3.47Å; Y408-I412 HydrophobicContact CD1-CD1 3.9Å; Y408-I412 HydrophobicContact CD1-CG1 4.45Å; Y408-I412 HydrophobicContact CE1-CD1 3.67Å; Y408-I412 HydrophobicContact CE1-CG1 4.23Å; Y408-I412 WeakPolarHBondContact O-CG1 3.42Å; Y408-I412 PolarHBondContact O-N 2.91Å; Y408-L468 HydrophobicContact CE1-CB 4.38Å; Y408-F472 HydrophobicContact CD1-CB 3.89Å; Y408-F472 HydrophobicContact CD1-CD1 4.26Å; Y408-F472 AromaticContact CD1-CD2 3.69Å; Y408-F472 HydrophobicContact CD1-CD2 3.69Å; Y408-F472 HydrophobicContact CD1-CE2 4.25Å; Y408-F472 AromaticContact CD1-CG 3.69Å; Y408-F472 HydrophobicContact CD1-CG 3.69Å; Y408-F472 AromaticContact CD2-CD2 3.79Å; Y408-F472 HydrophobicContact CD2-CD2 3.79Å; Y408-F472 AromaticContact CD2-CE2 3.91Å; Y408-F472 HydrophobicContact CD2-CE2 3.91Å; Y408-F472 HydrophobicContact CE1-CB 3.57Å; Y408-F472 AromaticContact CE1-CD2 3.84Å; Y408-F472 HydrophobicContact CE1-CD2 3.84Å; Y408-F472 AromaticContact CE1-CG 3.85Å; Y408-F472 HydrophobicContact CE1-CG 3.85Å; Y408-F472 AromaticContact CE2-CD2 3.93Å; Y408-F472 HydrophobicContact CE2-CD2 3.93Å; Y408-F472 HydrophobicContact CE2-CE2 4.43Å; Y408-F472 AromaticContact CG-CD2 3.67Å; Y408-F472 HydrophobicContact CG-CD2 3.67Å; Y408-F472 AromaticContact CG-CE2 3.81Å; Y408-F472 HydrophobicContact CG-CE2 3.81Å; Y408-F472 HydrophobicContact CG-CG 4.11Å; Y408-F472 HydrophobicContact CG-CZ 4.34Å; Y408-F472 AromaticContact CZ-CD2 3.99Å; Y408-C485 HydrophobicContact CE2-CB 3.92Å; Y408-C485 WeakPolarHBondContact CE2-O 3.45Å; Y408-C485 PolarHBondContact OH-O 3.22Å; Y408-Y486 HydrophobicContact CD2-CD1 4.17Å; Y408-Y486 AromaticContact CD2-CE1 3.74Å; Y408-Y486 HydrophobicContact CD2-CE1 3.74Å; Y408-Y486 HydrophobicContact CE2-CD1 4.18Å; Y408-Y486 HydrophobicContact CE2-CE1 4.21Å; Y408-L489 HydrophobicContact CD2-CD1 3.97Å; Y408-L489 HydrophobicContact CE2-CD1 3.24Å; Y408-L489 HydrophobicContact CE2-CG 4.45Å
409F83.6Confident79Confident0 Ų059 Ų590%029%0.294CS..Hα-helixtrans-62.3-45.3176.9-177.7-125000112Y347 I350 M351 L405 G406 L407 Q411 I412 L413 W442 I465 M469Y347-F409 AromaticContact CD2-CE1 3.68Å; Y347-F409 HydrophobicContact CD2-CE1 3.68Å; Y347-F409 HydrophobicContact CD2-CZ 4.48Å; Y347-F409 AromaticContact CE2-CD1 3.83Å; Y347-F409 HydrophobicContact CE2-CD1 3.83Å; Y347-F409 AromaticContact CE2-CE1 3.43Å; Y347-F409 HydrophobicContact CE2-CE1 3.43Å; Y347-F409 VanDerWaalsContact CE2-CE1 3.43Å; I350-F409 HydrophobicContact CB-CZ 4.28Å; I350-F409 HydrophobicContact CG2-CE1 4.39Å; I350-F409 HydrophobicContact CG2-CE2 3.83Å; I350-F409 HydrophobicContact CG2-CZ 3.57Å; M351-F409 HydrophobicContact CE-CD1 4.37Å; M351-F409 HydrophobicContact CG-CD1 4Å; M351-F409 HydrophobicContact CG-CE1 3.81Å; M351-F409 HydrophobicContact SD-CB 4.29Å; M351-F409 HydrophobicContact SD-CD1 3.2Å; M351-F409 WeakPolarHBondContact SD-CD1 3.27Å; M351-F409 HydrophobicContact SD-CE1 3.63Å; M351-F409 HydrophobicContact SD-CG 3.93Å; L405-F409 WeakPolarHBondContact O-CB 3.49Å; L405-F409 PolarHBondContact O-N 3Å; G406-F409 PolarHBondContact O-N 3.35Å; L407-F409 VanDerWaalsContact C-N 3.35Å; F409-Q411 VanDerWaalsContact C-N 3.26Å; F409-Q411 PolarHBondContact O-N 3.36Å; F409-I412 WeakPolarHBondContact O-CA 3.49Å; F409-I412 WeakPolarHBondContact O-CB 3.47Å; F409-I412 PolarHBondContact O-N 2.98Å; F409-L413 HydrophobicContact CD1-CD1 4.03Å; F409-L413 HydrophobicContact CD1-CG 4.49Å; F409-L413 HydrophobicContact CD2-CG 4.45Å; F409-L413 HydrophobicContact CE1-CD1 3.68Å; F409-L413 HydrophobicContact CE1-CD2 4.5Å; F409-L413 HydrophobicContact CE1-CG 4.24Å; F409-L413 HydrophobicContact CE2-CD1 4.44Å; F409-L413 HydrophobicContact CE2-CD2 3.96Å; F409-L413 HydrophobicContact CE2-CG 4.12Å; F409-L413 HydrophobicContact CZ-CD1 3.9Å; F409-L413 HydrophobicContact CZ-CD2 3.86Å; F409-L413 HydrophobicContact CZ-CG 4.03Å; F409-L413 WeakPolarHBondContact O-CG 3.5Å; F409-L413 PolarHBondContact O-N 3.41Å; F409-W442 HydrophobicContact CZ-CH2 4.41Å; F409-I465 HydrophobicContact CD2-CG2 4.43Å; F409-I465 HydrophobicContact CE2-CG2 3.68Å; F409-M469 HydrophobicContact CB-CE 4.06Å; F409-M469 HydrophobicContact CB-SD 3.84Å; F409-M469 HydrophobicContact CD2-CE 4.06Å; F409-M469 HydrophobicContact CD2-CG 4.47Å; F409-M469 HydrophobicContact CD2-SD 3.48Å; F409-M469 WeakPolarHBondContact CD2-SD 3.29Å; F409-M469 HydrophobicContact CE2-SD 4.4Å; F409-M469 HydrophobicContact CG-CE 4.19Å; F409-M469 HydrophobicContact CG-SD 4Å
410H84.2Confident79Confident78 Ų7857.9 Ų57.936%0.36128%0.283SS..Hα-helixtrans-59.2-37175.3-75.3-60.3000112.7Y347 G406 L407 L413 E414Y347-H410 AromaticContact CE2-CE1 3.78Å; Y347-H410 AromaticContact CZ-CE1 3.81Å; Y347-H410 PolarHBondContact OH-CE1 3.45Å; Y347-H410 PolarHBondContact OH-NE2 2.53Å; G406-H410 PolarHBondContact O-CD2 3.14Å; G406-H410 PolarHBondContact O-N 2.87Å; L407-H410 PolarHBondContact O-N 2.87Å; H410-L413 PolarHBondContact O-N 2.92Å; H410-E414 WeakPolarHBondContact O-CB 3.43Å; H410-E414 PolarHBondContact O-N 3.17Å
411Q85.6Confident78.1Confident73 Ų7354.4 Ų54.434%0.34127%0.272SS..Hα-helixtrans-67.2-35174.1-71.6176.7-6.500112.9L407 Y408 F409 K415 L489L407-Q411 WeakPolarHBondContact O-CG 3.35Å; L407-Q411 PolarHBondContact O-N 3.49Å; Y408-Q411 WeakPolarHBondContact O-CB 3.34Å; Y408-Q411 PolarHBondContact O-N 3.47Å; F409-Q411 VanDerWaalsContact C-N 3.26Å; F409-Q411 PolarHBondContact O-N 3.36Å; Q411-K415 WeakPolarHBondContact O-CB 3.47Å; Q411-K415 VanDerWaalsContact O-CG 3.24Å; Q411-K415 WeakPolarHBondContact O-CG 3.21Å; Q411-K415 PolarHBondContact O-N 3Å; Q411-L489 HydrophobicContact CB-CD2 4.27Å
412I87.1Confident76.8Confident0 Ų056.9 Ų56.90%029%0.289CS..Hα-helixtrans-60.8-49.9171-63.2169.3000109.3Y408 F409 E414 K415 L416 I465 L468 M469 L489Y408-I412 HydrophobicContact CD1-CD1 3.9Å; Y408-I412 HydrophobicContact CD1-CG1 4.45Å; Y408-I412 HydrophobicContact CE1-CD1 3.67Å; Y408-I412 HydrophobicContact CE1-CG1 4.23Å; Y408-I412 WeakPolarHBondContact O-CG1 3.42Å; Y408-I412 PolarHBondContact O-N 2.91Å; F409-I412 WeakPolarHBondContact O-CA 3.49Å; F409-I412 WeakPolarHBondContact O-CB 3.47Å; F409-I412 PolarHBondContact O-N 2.98Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 2.97Å; I412-K415 PolarHBondContact O-N 3.37Å; I412-L416 HydrophobicContact CG2-CD1 3.68Å; I412-L416 HydrophobicContact CG2-CG 4.21Å; I412-L416 WeakPolarHBondContact O-CB 3.49Å; I412-L416 VanDerWaalsContact O-CG 3.3Å; I412-L416 WeakPolarHBondContact O-CG 3.46Å; I412-L416 PolarHBondContact O-N 2.88Å; I412-I465 HydrophobicContact CG2-CG1 3.98Å; I412-L468 HydrophobicContact CD1-CB 3.65Å; I412-L468 HydrophobicContact CD1-CD1 3.97Å; I412-L468 HydrophobicContact CG1-CB 4.37Å; I412-L468 HydrophobicContact CG1-CD1 3.78Å; I412-L468 HydrophobicContact CG2-CD1 4.15Å; I412-M469 HydrophobicContact CD1-CG 4.06Å; I412-M469 HydrophobicContact CD1-SD 3.84Å; I412-L489 HydrophobicContact CB-CD2 4.37Å; I412-L489 HydrophobicContact CG1-CD2 3.86Å
413L87.5Confident75Confident2 Ų262 Ų621%0.0131%0.314CS..Hα-helixtrans-59.4-44.6-179.5-64.4179.2000111.4Y347 F409 H410 K415 L416 D417 L418 W442 I465Y347-L413 HydrophobicContact CD2-CD1 3.87Å; Y347-L413 HydrophobicContact CE2-CD1 3.83Å; F409-L413 HydrophobicContact CD1-CD1 4.03Å; F409-L413 HydrophobicContact CD1-CG 4.49Å; F409-L413 HydrophobicContact CD2-CG 4.45Å; F409-L413 HydrophobicContact CE1-CD1 3.68Å; F409-L413 HydrophobicContact CE1-CD2 4.5Å; F409-L413 HydrophobicContact CE1-CG 4.24Å; F409-L413 HydrophobicContact CE2-CD1 4.44Å; F409-L413 HydrophobicContact CE2-CD2 3.96Å; F409-L413 HydrophobicContact CE2-CG 4.12Å; F409-L413 HydrophobicContact CZ-CD1 3.9Å; F409-L413 HydrophobicContact CZ-CD2 3.86Å; F409-L413 HydrophobicContact CZ-CG 4.03Å; F409-L413 WeakPolarHBondContact O-CG 3.5Å; F409-L413 PolarHBondContact O-N 3.41Å; H410-L413 PolarHBondContact O-N 2.92Å; L413-K415 PolarHBondContact O-N 3.05Å; L413-L416 CarbonylContact O-C 3.56Å; L413-L416 PolarHBondContact O-N 3.39Å; L413-D417 PolarHBondContact O-N 2.79Å; L413-D417 VanDerWaalsContact O-N 3.11Å; L413-L418 HydrophobicContact CB-CB 4.28Å; L413-L418 HydrophobicContact CD2-CB 3.91Å; L413-L418 HydrophobicContact CD2-CD1 4.3Å; L413-L418 PolarHBondContact O-N 3.47Å; L413-W442 HydrophobicContact CD1-CH2 4.04Å; L413-W442 HydrophobicContact CD1-CZ2 3.84Å; L413-W442 HydrophobicContact CD2-CH2 3.83Å; L413-W442 HydrophobicContact CD2-CZ2 3.79Å; L413-W442 HydrophobicContact CG-CZ2 4.44Å; L413-I465 HydrophobicContact CD2-CD1 4.29Å
414E86.9Confident72.8Confident132 Ų13258.8 Ų58.862%0.61731%0.314SS*.Hα-helixtrans-59.6-45.5176-172-176-18000112.3H410 I412 L416 D417 C419H410-E414 WeakPolarHBondContact O-CB 3.43Å; H410-E414 PolarHBondContact O-N 3.17Å; I412-E414 VanDerWaalsContact C-N 3.33Å; I412-E414 PolarHBondContact O-N 2.97Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.03Å; E414-D417 PolarHBondContact O-N 2.74Å; E414-D417 VanDerWaalsContact O-N 3.15Å; E414-C419 VanDerWaalsContact CA-SG 3.5Å
415K86.4Confident70.4Confident105 Ų10563 Ų6346%0.45734%0.339SS..Hα-helixtrans-67.1-26.6177.9-71.5-76-167.2161.30113.5Q411 I412 L413 D417 L489 D490 L492Q411-K415 WeakPolarHBondContact O-CB 3.47Å; Q411-K415 VanDerWaalsContact O-CG 3.24Å; Q411-K415 WeakPolarHBondContact O-CG 3.21Å; Q411-K415 PolarHBondContact O-N 3Å; I412-K415 PolarHBondContact O-N 3.37Å; L413-K415 PolarHBondContact O-N 3.05Å; K415-D417 VanDerWaalsContact C-N 3.34Å; K415-L489 HydrophobicContact CB-CD2 4.33Å; K415-L489 HydrophobicContact CG-CD2 3.86Å; K415-D490 IonicContact NZ-OD1 3.64Å; K415-D490 PolarHBondContact NZ-OD1 2.9Å; K415-L492 HydrophobicContact CB-CD1 3.68Å; K415-L492 HydrophobicContact CG-CD1 4.44Å
416L86.6Confident68.1Low6 Ų669.2 Ų69.23%0.03137%0.372CS..THydrogen-bonded Turntrans-89.70.8176.8-67.4-178.7000113.1I412 L413 E414 L418 L464 I465 L492I412-L416 HydrophobicContact CG2-CD1 3.68Å; I412-L416 HydrophobicContact CG2-CG 4.21Å; I412-L416 WeakPolarHBondContact O-CB 3.49Å; I412-L416 VanDerWaalsContact O-CG 3.3Å; I412-L416 WeakPolarHBondContact O-CG 3.46Å; I412-L416 PolarHBondContact O-N 2.88Å; L413-L416 CarbonylContact O-C 3.56Å; L413-L416 PolarHBondContact O-N 3.39Å; E414-L416 VanDerWaalsContact C-N 3.26Å; E414-L416 PolarHBondContact O-N 3.03Å; L416-L418 HydrophobicContact CB-CB 4.43Å; L416-L418 HydrophobicContact CB-CD1 3.79Å; L416-L418 HydrophobicContact CB-CG 3.79Å; L416-L418 HydrophobicContact CD1-CD1 4.04Å; L416-L418 PolarHBondContact O-N 2.91Å; L416-L464 HydrophobicContact CD2-CD1 4.14Å; L416-I465 HydrophobicContact CD1-CD1 4.2Å; L416-I465 HydrophobicContact CD1-CG1 3.77Å; L416-L492 HydrophobicContact CD2-CD1 4.3Å; L416-L492 HydrophobicContact CD2-CD2 4.18Å
417D85.8Confident65.6Low149 Ų14974.7 Ų74.780%0.79740%0.399SS*.THydrogen-bonded Turntrans58.138.7-173.6-154.424.8000112.3L413 E414 K415L413-D417 PolarHBondContact O-N 2.79Å; L413-D417 VanDerWaalsContact O-N 3.11Å; E414-D417 PolarHBondContact O-N 2.74Å; E414-D417 VanDerWaalsContact O-N 3.15Å; K415-D417 VanDerWaalsContact C-N 3.34Å
418L82.7Confident63.1Low13 Ų1376.7 Ų76.77%0.06841%0.411CS..  trans-113.926.3179.7-59.1179.7000111.9L413 L416 W442 S444 V445 I465L413-L418 HydrophobicContact CB-CB 4.28Å; L413-L418 HydrophobicContact CD2-CB 3.91Å; L413-L418 HydrophobicContact CD2-CD1 4.3Å; L413-L418 PolarHBondContact O-N 3.47Å; L416-L418 HydrophobicContact CB-CB 4.43Å; L416-L418 HydrophobicContact CB-CD1 3.79Å; L416-L418 HydrophobicContact CB-CG 3.79Å; L416-L418 HydrophobicContact CD1-CD1 4.04Å; L416-L418 PolarHBondContact O-N 2.91Å; L418-W442 HydrophobicContact CB-CG 4.37Å; L418-W442 HydrophobicContact CD2-CB 4.09Å; L418-W442 HydrophobicContact CD2-CG 3.99Å; L418-W442 PolarHBondContact O-NE1 3.36Å; L418-S444 VanDerWaalsContact CD2-OG 3.27Å; L418-S444 WeakPolarHBondContact CD2-OG 3.43Å; L418-V445 HydrophobicContact CD1-CG2 3.63Å; L418-I465 HydrophobicContact CD1-CD1 4.18Å
419C70.7Confident60.6Low73 Ų7382.4 Ų82.449%0.49344%0.441SS..  trans-54.7142.2178.9-72.40000111.6E414E414-C419 VanDerWaalsContact CA-SG 3.5Å
420L64.5Low58Low53 Ų5385.4 Ų85.428%0.27747%0.472SS..  trans-62.7141.7169.2-66172.3000108.5Y347 D422 V440 W442Y347-L420 HydrophobicContact CD2-CD1 4.02Å; Y347-L420 HydrophobicContact CD2-CD2 3.88Å; Y347-L420 HydrophobicContact CD2-CG 4.23Å; Y347-L420 HydrophobicContact CE2-CD1 3.85Å; Y347-L420 HydrophobicContact CE2-CG 4.43Å; Y347-L420 HydrophobicContact CG-CD1 4.49Å; Y347-L420 HydrophobicContact CG-CD2 4.08Å; L420-D422 VanDerWaalsContact C-N 3.33Å; L420-D422 PolarHBondContact O-N 3.03Å; L420-V440 HydrophobicContact CD2-CG2 3.32Å; L420-W442 HydrophobicContact CD2-CZ2 4.28Å
421P48.1Very low55.6Low63 Ų6388 Ų8841%0.40949%0.489SS..  trans-69.489.7-178.526.7-31.5000110.3
422D40.1Very low53Low124 Ų12486.8 Ų86.866%0.66350%0.495SS*.  trans-102.8125.9167.1-85.2-27.7000110L420 S424L420-D422 VanDerWaalsContact C-N 3.33Å; L420-D422 PolarHBondContact O-N 3.03Å; D422-S424 PolarHBondContact O-N 2.74Å
423H31.9Very low50.2Low152 Ų15291.5 Ų91.570%0.70452%0.52SS*.SBendtrans14.262.3166.9-56-63.8000118.5D435H423-D435 IonicContact CE1-OD1 3.44Å; H423-D435 PolarHBondContact CE1-OD1 2.89Å; H423-D435 IonicContact CE1-OD2 2.94Å; H423-D435 PolarHBondContact CE1-OD2 2.82Å; H423-D435 IonicContact ND1-OD1 2.7Å; H423-D435 IonicContact ND1-OD2 3.73Å; H423-D435 PolarHBondContact ND1-OD2 3.29Å; H423-D435 IonicContact NE2-OD1 3.7Å
424S26.5Very low48.1Very low92 Ų9294.5 Ų94.564%0.64354%0.537SS*.  trans-126.4105.7164.250.80000110.5D422 D426D422-S424 PolarHBondContact O-N 2.74Å; S424-D426 PolarHBondContact O-N 3.16Å
425T24.8Very low45.7Very low122 Ų12292.8 Ų92.875%0.74853%0.531SS*.  trans-52.5111.4161.547.60000109
426D26.2Very low43.6Very low130 Ų13093.1 Ų93.170%0.69554%0.538SS*.  179.3118.9122.2-92.6-37.4000112.3S424S424-D426 PolarHBondContact O-N 3.16Å
427N26.4Very low41.9Very low125 Ų12597.1 Ų97.167%0.66858%0.581SS**  trans25.5103.4131.6-58.7-56.5000116.5
428N27.6Very low40.8Very low119 Ų11992.8 Ų92.864%0.63656%0.558SS**SBend169.5111.4111.5-82.6-45.6000108.8G430N428-G430 PolarHBondContact O-N 3.07Å
429D29.2Very low40.4Very low119 Ų11993.5 Ų93.564%0.63656%0.562SS**SBendtrans43.764154.8-56.4-23.5000116.2N263N263-D429 PolarHBondContact ND2-OD2 2.91Å
430G28.4Very low41Very low63 Ų6391 Ų9165%0.64955%0.545SS*.SBendtrans169.4120.5174.500000111.2N428 G432N428-G430 PolarHBondContact O-N 3.07Å; G430-G432 PolarHBondContact O-N 3.42Å
431D34.9Very low41.8Very low134 Ų13489.4 Ų89.472%0.71754%0.537SS*.SBendtrans21.588.6149.7-137.714.3000116R173R173-D431 IonicContact NH1-OD2 3.23Å
432G30.4Very low43.6Very low46 Ų4687.5 Ų87.547%0.47452%0.521SS..  trans165.180.4178.300000114.3G430G430-G432 PolarHBondContact O-N 3.42Å
433N29.6Very low45.8Very low99 Ų9986.4 Ų86.453%0.52952%0.523SS..  trans179.866.9149-90.5-27.1000106.8R180R180-N433 PolarHBondContact NH2-O 2.85Å
434D42.3Very low48.4Very low66 Ų6680.3 Ų80.335%0.35350%0.498SS..  trans-11677.5165.2-82.4-60.9000107.3R180 D436R180-D434 IonicContact CZ-OD1 3.77Å; R180-D434 IonicContact CZ-OD2 3.12Å; R180-D434 IonicContact NH1-OD1 2.8Å; R180-D434 IonicContact NH1-OD2 3.8Å; R180-D434 PolarHBondContact NH1-OD2 2.89Å; R180-D434 IonicContact NH2-OD1 3.6Å; R180-D434 PolarHBondContact NH2-OD1 3.41Å; R180-D434 IonicContact NH2-OD2 3.84Å; R180-D434 PolarHBondContact NH2-OD2 3.26Å; D434-D436 VanDerWaalsContact C-N 3.27Å; D434-D436 PolarHBondContact O-N 2.84Å; D434-D436 VanDerWaalsContact O-N 3.14Å
435D35.9Very low51.5Low95 Ų9576 Ų7651%0.50847%0.467SS..  trans-7577.9168.8-167.413.3000107.3H423H423-D435 IonicContact CE1-OD1 3.44Å; H423-D435 PolarHBondContact CE1-OD1 2.89Å; H423-D435 IonicContact CE1-OD2 2.94Å; H423-D435 PolarHBondContact CE1-OD2 2.82Å; H423-D435 IonicContact ND1-OD1 2.7Å; H423-D435 IonicContact ND1-OD2 3.73Å; H423-D435 PolarHBondContact ND1-OD2 3.29Å; H423-D435 IonicContact NE2-OD1 3.7Å
436D42.4Very low54.8Low112 Ų11273.5 Ų73.560%0.59945%0.445SS*.SBendtrans-178.377.4165.4-97.7-21.5000110.9K202 D434 D438K202-D436 PolarHBondContact NZ-O 3.14Å; D434-D436 VanDerWaalsContact C-N 3.27Å; D434-D436 PolarHBondContact O-N 2.84Å; D434-D436 VanDerWaalsContact O-N 3.14Å; D436-D438 PolarHBondContact O-N 3.33Å
437G51.5Low58.1Low91 Ų9167.3 Ų67.394%0.93841%0.412SS*.SBendtrans54.26.2153.500000120
438D62.5Low61.2Low57 Ų5762.3 Ų62.331%0.30539%0.386SS..  trans-86.1135.9-177.8-75-20.1000110.3K202 D436K202-D438 IonicContact NZ-OD1 3.83Å; K202-D438 PolarHBondContact NZ-OD1 2.99Å; K202-D438 IonicContact NZ-OD2 3.86Å; K202-D438 PolarHBondContact NZ-OD2 3.34Å; D436-D438 PolarHBondContact O-N 3.33Å
439D74.8Confident64Low29 Ų2957.5 Ų57.516%0.15536%0.361CS..  trans-58.2150.5175.4-172.825.8000111.6N165 I169 S346 Y347 R348N165-D439 PolarHBondContact ND2-OD2 3.45Å; I169-D439 HydrophobicContact CD1-CB 4.07Å; I169-D439 WeakPolarHBondContact CD1-O 3.42Å; I169-D439 HydrophobicContact CG1-CB 4.44Å; I169-D439 WeakPolarHBondContact CG1-O 3.4Å; S346-D439 WeakPolarHBondContact CB-OD2 3.11Å; S346-D439 PolarHBondContact OG-OD2 3.01Å; Y347-D439 PolarHBondContact N-OD1 3.19Å; R348-D439 HydrophobicContact CB-CB 4.34Å; R348-D439 WeakPolarHBondContact CB-OD1 3.31Å; R348-D439 WeakPolarHBondContact CB-OD2 3.3Å; R348-D439 PolarHBondContact N-OD1 2.83Å
440V82.9Confident65.9Low21 Ų2155 Ų5513%0.12735%0.347CS..  trans-125.9149.3-172.5-60.30000112.7S346 Y347 L420 W442S346-V440 CarbonylContact C-O 3.59Å; S346-V440 WeakPolarHBondContact CA-O 3.19Å; S346-V440 VanDerWaalsContact CB-O 3.28Å; S346-V440 WeakPolarHBondContact CB-O 3.26Å; Y347-V440 PolarHBondContact N-O 2.94Å; L420-V440 HydrophobicContact CD2-CG2 3.32Å; V440-W442 HydrophobicContact CG2-CZ2 4.29Å
441T80.8Confident67.1Low18 Ų1855 Ų5511%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-112.5143.2166.446.10000110D166 I169 R173D166-T441 HydrophobicContact CB-CG2 4.29Å; I169-T441 HydrophobicContact CD1-CG2 3.86Å; R173-T441 PolarHBondContact NH1-OG1 2.88Å; R173-T441 PolarHBondContact NH2-O 3.2Å
442W87.7Confident67.9Low24 Ų2455.3 Ų55.39%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-103.5135173.7-54.9-87.2000110.7Y344 Y347 I350 F409 L413 L418 L420 V440 S444 V445Y344-W442 WeakPolarHBondContact CD1-O 3.45Å; Y347-W442 AromaticContact CD2-CH2 3.67Å; Y347-W442 HydrophobicContact CD2-CH2 3.67Å; Y347-W442 HydrophobicContact CD2-CZ2 4.04Å; Y347-W442 HydrophobicContact CG-CH2 4.08Å; I350-W442 HydrophobicContact CD1-CZ3 4.07Å; F409-W442 HydrophobicContact CZ-CH2 4.41Å; L413-W442 HydrophobicContact CD1-CH2 4.04Å; L413-W442 HydrophobicContact CD1-CZ2 3.84Å; L413-W442 HydrophobicContact CD2-CH2 3.83Å; L413-W442 HydrophobicContact CD2-CZ2 3.79Å; L413-W442 HydrophobicContact CG-CZ2 4.44Å; L418-W442 HydrophobicContact CB-CG 4.37Å; L418-W442 HydrophobicContact CD2-CB 4.09Å; L418-W442 HydrophobicContact CD2-CG 3.99Å; L418-W442 PolarHBondContact O-NE1 3.36Å; L420-W442 HydrophobicContact CD2-CZ2 4.28Å; V440-W442 HydrophobicContact CG2-CZ2 4.29Å; W442-S444 PolarHBondContact O-N 3.23Å; W442-S444 VanDerWaalsContact O-N 3.13Å; W442-V445 HydrophobicContact CB-CB 4.1Å; W442-V445 HydrophobicContact CB-CG2 3.89Å; W442-V445 HydrophobicContact CD2-CG2 4.36Å; W442-V445 HydrophobicContact CE3-CB 4.11Å; W442-V445 HydrophobicContact CE3-CG1 4.36Å; W442-V445 HydrophobicContact CE3-CG2 4.01Å; W442-V445 HydrophobicContact CG-CG2 4.37Å; W442-V445 PolarHBondContact O-N 3.05Å
443S85.3Confident68.8Low100 Ų10059 Ų5970%0.69935%0.348SS*.EExtended strand (participates in β ladder)trans-62.7-20.4179.659.20000113.8Y446S443-Y446 VanDerWaalsContact O-CD1 3.24Å; S443-Y446 WeakPolarHBondContact O-CD1 2.98Å; S443-Y446 WeakPolarHBondContact O-CE1 3.39Å
444S86.8Confident69.8Low25 Ų2561.8 Ų61.818%0.17536%0.363CS..EExtended strand (participates in β ladder)trans-92.3-9.2177.761.20000113.9L418 W442 S459L418-S444 VanDerWaalsContact CD2-OG 3.27Å; L418-S444 WeakPolarHBondContact CD2-OG 3.43Å; W442-S444 PolarHBondContact O-N 3.23Å; W442-S444 VanDerWaalsContact O-N 3.13Å; S444-S459 VanDerWaalsContact O-CB 3.25Å; S444-S459 WeakPolarHBondContact O-CB 3.33Å; S444-S459 PolarHBondContact O-OG 3.14Å
445V92.4Very high70.6Confident0 Ų061.6 Ų61.60%036%0.362CS..EExtended strand (participates in β ladder)trans-112.197.2-175.3-178.80000109.6L345 I350 L418 W442 H461 L462 I465L345-V445 PolarHBondContact N-O 3.19Å; I350-V445 HydrophobicContact CD1-CG1 3.73Å; L418-V445 HydrophobicContact CD1-CG2 3.63Å; W442-V445 HydrophobicContact CB-CB 4.1Å; W442-V445 HydrophobicContact CB-CG2 3.89Å; W442-V445 HydrophobicContact CD2-CG2 4.36Å; W442-V445 HydrophobicContact CE3-CB 4.11Å; W442-V445 HydrophobicContact CE3-CG1 4.36Å; W442-V445 HydrophobicContact CE3-CG2 4.01Å; W442-V445 HydrophobicContact CG-CG2 4.37Å; W442-V445 PolarHBondContact O-N 3.05Å; V445-H461 HydrophobicContact CG2-CB 4.14Å; V445-L462 HydrophobicContact CG1-CB 3.99Å; V445-L462 HydrophobicContact CG1-CD1 3.87Å; V445-L462 HydrophobicContact CG1-CG 4.42Å; V445-I465 HydrophobicContact CG1-CD1 4.31Å; V445-I465 HydrophobicContact CG2-CD1 3.91Å
446Y93.5Very high72.5Confident71 Ų7159 Ų5928%0.27835%0.351SS..EExtended strand (participates in β ladder)trans-156.9166.9-170.862-97.6000114.4V342 I343 Y344 S443 P458 S459 L462V342-Y446 HydrophobicContact CG1-CD2 3.69Å; V342-Y446 HydrophobicContact CG1-CG 3.63Å; I343-Y446 CarbonylContact O-C 3.55Å; I343-Y446 WeakPolarHBondContact O-CA 3.48Å; I343-Y446 WeakPolarHBondContact O-CB 3.19Å; Y344-Y446 HydrophobicContact CE1-CD1 4.16Å; Y344-Y446 HydrophobicContact CE1-CG 4.35Å; S443-Y446 VanDerWaalsContact O-CD1 3.24Å; S443-Y446 WeakPolarHBondContact O-CD1 2.98Å; S443-Y446 WeakPolarHBondContact O-CE1 3.39Å; Y446-P458 WeakPolarHBondContact O-CA 3.04Å; Y446-S459 PolarHBondContact N-OG 3.07Å; Y446-S459 PolarHBondContact O-N 3.03Å; Y446-L462 WeakPolarHBondContact O-CD2 3.43Å
447L94.3Very high74.5Confident0 Ų053.7 Ų53.70%032%0.323CS..EExtended strand (participates in β ladder)trans-108135.4167.1-63.8168.4000109.6V342 I343 L345 G457 P458 L462 L508 I511 Y512 L515 L575V342-L447 CarbonylContact C-O 3.6Å; V342-L447 VanDerWaalsContact CA-O 3.29Å; V342-L447 WeakPolarHBondContact CA-O 3.32Å; I343-L447 HydrophobicContact CB-CB 4.39Å; I343-L447 PolarHBondContact N-O 3.35Å; I343-L447 PolarHBondContact O-N 2.7Å; L345-L447 HydrophobicContact CD2-CD1 4.46Å; L447-G457 WeakPolarHBondContact CA-O 3.34Å; L447-P458 HydrophobicContact CD2-CB 4.11Å; L447-L462 HydrophobicContact CD2-CD2 3.8Å; L447-L462 HydrophobicContact CG-CD2 4.04Å; L447-L508 HydrophobicContact CD2-CD2 4.19Å; L447-I511 HydrophobicContact CD1-CG2 3.96Å; L447-Y512 HydrophobicContact CD1-CD1 4.24Å; L447-Y512 HydrophobicContact CD1-CE1 3.9Å; L447-Y512 HydrophobicContact CD2-CE1 3.94Å; L447-L515 HydrophobicContact CD1-CD1 3.61Å; L447-L575 HydrophobicContact CB-CD1 3.99Å; L447-L575 HydrophobicContact CD1-CD1 4.43Å
448S92.4Very high76.5Confident19 Ų1950 Ų5013%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-147157.7-179.567.20000111.9G457 L575S448-G457 PolarHBondContact N-O 3.14Å; S448-G457 PolarHBondContact O-N 3.35Å; S448-L575 WeakPolarHBondContact O-CD2 3.35Å
449L87.1Confident77.9Confident19 Ų1947.7 Ų47.710%0.09927%0.271CS..  trans-95.6120.5163.6-75.4165000108.1F334 E336 T339 F571 L575F334-L449 HydrophobicContact CE2-CD1 3.84Å; F334-L449 HydrophobicContact CZ-CD1 3.56Å; E336-L449 HydrophobicContact CG-CD1 4.3Å; T339-L449 HydrophobicContact CG2-CB 4.06Å; T339-L449 HydrophobicContact CG2-CD1 4.12Å; L449-F571 HydrophobicContact CB-CE2 4.14Å; L449-F571 HydrophobicContact CD1-CD2 3.6Å; L449-F571 HydrophobicContact CD1-CE2 3.76Å; L449-F571 HydrophobicContact CG-CD2 4.05Å; L449-F571 HydrophobicContact CG-CE2 3.68Å; L449-L575 HydrophobicContact CD2-CD2 3.85Å; L449-L575 HydrophobicContact CG-CD2 3.87Å
450N68.3Low78.6Confident65 Ų6548.8 Ų48.835%0.34827%0.273SS..  trans-102.398.6177.1-155.6-22000110N452 N455N450-N452 PolarHBondContact O-N 3.31Å; N450-N452 PolarHBondContact OD1-N 2.88Å; N450-N455 WeakPolarHBondContact CB-O 3.36Å
451S53.8Low79Confident64 Ų6449.9 Ų49.945%0.44828%0.277SS..THydrogen-bonded Turntrans-67.4-2017958.60000113.4K337K337-S451 WeakPolarHBondContact O-CB 3.26Å; K337-S451 PolarHBondContact O-OG 2.89Å
452N52.4Low79.6Confident141 Ų14149 Ų4975%0.75427%0.272SS*.THydrogen-bonded Turntrans-101.6-18.8-172.1-72.6-29.5000115N450N450-N452 PolarHBondContact O-N 3.31Å; N450-N452 PolarHBondContact OD1-N 2.88Å
453N48.5Very low79.8Confident122 Ų12247.9 Ų47.965%0.65227%0.267SS*.THydrogen-bonded Turntrans-128.617.5-170.3-86.5-6.7000115.8N455N453-N455 PolarHBondContact O-N 2.87Å
454N50.6Low80.1Confident158 Ų15843.1 Ų43.185%0.84523%0.234SC*.SBendtrans56.8-4.1-179.5-76.8-4.3000116.9S456N454-S456 PolarHBondContact O-N 2.88Å
455N57.9Low80.3Confident62 Ų6242 Ų4233%0.33223%0.226SC..  trans-100.377.9175.5-80.4-1.1000109.9N450 N453 E497N450-N455 WeakPolarHBondContact CB-O 3.36Å; N453-N455 PolarHBondContact O-N 2.87Å; N455-E497 PolarHBondContact ND2-OE2 2.91Å
456S77.3Confident80.2Confident40 Ų4042 Ų4228%0.2823%0.226SC..  trans-70.1147.1157.645.50000110N454 S578N454-S456 PolarHBondContact O-N 2.88Å; S456-S578 WeakPolarHBondContact CB-OG 3.33Å; S456-S578 WeakPolarHBondContact OG-CB 3.46Å; S456-S578 PolarHBondContact OG-OG 2.86Å
457G84.3Confident80.1Confident2 Ų239.9 Ų39.92%0.02122%0.218CC..EExtended strand (participates in β ladder)trans116.2-141177.300000113.2L447 S448L447-G457 WeakPolarHBondContact CA-O 3.34Å; S448-G457 PolarHBondContact N-O 3.14Å; S448-G457 PolarHBondContact O-N 3.35Å
458P92.3Very high79.8Confident12 Ų1239.9 Ų39.98%0.07822%0.218CC..EExtended strand (participates in β ladder)trans-75.4143.1-170.232.1-37.2000112.7Y446 L447 L462 Y501 I504 L508Y446-P458 WeakPolarHBondContact O-CA 3.04Å; L447-P458 HydrophobicContact CD2-CB 4.11Å; P458-L462 HydrophobicContact CB-CB 4.05Å; P458-L462 HydrophobicContact CB-CD2 3.73Å; P458-L462 HydrophobicContact CB-CG 3.86Å; P458-Y501 HydrophobicContact CG-CD1 4.08Å; P458-Y501 HydrophobicContact CG-CE1 3.75Å; P458-Y501 PolarHBondContact O-OH 3.09Å; P458-I504 HydrophobicContact CG-CD1 4.06Å; P458-L508 HydrophobicContact CB-CD2 4.04Å; P458-L508 HydrophobicContact CG-CD1 3.89Å; P458-L508 HydrophobicContact CG-CD2 3.84Å; P458-L508 HydrophobicContact CG-CG 4.48Å
459S92.1Very high79.5Confident9 Ų939 Ų396%0.06321%0.212CC..  trans-54.915616475.80000110.5S444 Y446 H461 L462 G463S444-S459 VanDerWaalsContact O-CB 3.25Å; S444-S459 WeakPolarHBondContact O-CB 3.33Å; S444-S459 PolarHBondContact O-OG 3.14Å; Y446-S459 PolarHBondContact N-OG 3.07Å; Y446-S459 PolarHBondContact O-N 3.03Å; S459-H461 VanDerWaalsContact C-N 3.27Å; S459-H461 PolarHBondContact O-N 3.23Å; S459-L462 PolarHBondContact O-N 2.84Å; S459-L462 VanDerWaalsContact O-N 3.13Å; S459-L462 WeakPolarHBondContact OG-CB 3.24Å; S459-L462 PolarHBondContact OG-N 3.4Å; S459-G463 PolarHBondContact O-N 3.41Å
460Y90.2Very high79.3Confident52 Ų5242.7 Ų42.720%0.20423%0.225CC..Hα-helixtrans-56.4-41.2179.9-174.9-107.8000112.6G463 L464 Y493 I495 E497 I500Y460-G463 PolarHBondContact O-N 2.97Å; Y460-L464 HydrophobicContact CD1-CD1 3.63Å; Y460-L464 HydrophobicContact CD1-CG 4.3Å; Y460-L464 HydrophobicContact CE1-CD1 3.16Å; Y460-L464 HydrophobicContact CE1-CD2 4.45Å; Y460-L464 HydrophobicContact CE1-CG 3.9Å; Y460-L464 HydrophobicContact CE2-CD1 4.5Å; Y460-L464 HydrophobicContact CE2-CG 4.39Å; Y460-L464 HydrophobicContact CG-CD1 4.47Å; Y460-L464 WeakPolarHBondContact O-CG 3.44Å; Y460-L464 PolarHBondContact O-N 3.39Å; Y460-Y493 AromaticContact CE1-CD1 3.86Å; Y460-Y493 HydrophobicContact CE1-CD1 3.86Å; Y460-Y493 HydrophobicContact CE1-CE1 4.19Å; Y460-I495 PolarHBondContact OH-O 2.9Å; Y460-E497 HydrophobicContact CD2-CG 3.78Å; Y460-E497 HydrophobicContact CE2-CG 3.82Å; Y460-I500 HydrophobicContact CD2-CD1 4.46Å; Y460-I500 HydrophobicContact CE2-CD1 3.74Å
461H91.2Very high79.9Confident45 Ų4541 Ų4121%0.20822%0.217CC..Hα-helixtrans-65-43.8177-7078.4000112.1V445 S459 G463 L464 I465V445-H461 HydrophobicContact CG2-CB 4.14Å; S459-H461 VanDerWaalsContact C-N 3.27Å; S459-H461 PolarHBondContact O-N 3.23Å; H461-G463 VanDerWaalsContact C-N 3.32Å; H461-G463 PolarHBondContact O-N 3.21Å; H461-L464 PolarHBondContact O-N 2.91Å; H461-I465 VanDerWaalsContact O-CG1 3.32Å; H461-I465 WeakPolarHBondContact O-CG1 3.47Å; H461-I465 PolarHBondContact O-N 2.88Å
462L92.7Very high81.2Confident0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-62.4-43.5175177.357.7000110.8L345 I350 V445 Y446 L447 P458 S459 L464 I465 L466L345-L462 HydrophobicContact CD1-CD1 3.81Å; L345-L462 HydrophobicContact CD1-CD2 3.59Å; L345-L462 HydrophobicContact CD1-CG 4.38Å; L345-L462 HydrophobicContact CG-CD2 4.33Å; I350-L462 HydrophobicContact CD1-CD1 4.29Å; V445-L462 HydrophobicContact CG1-CB 3.99Å; V445-L462 HydrophobicContact CG1-CD1 3.87Å; V445-L462 HydrophobicContact CG1-CG 4.42Å; Y446-L462 WeakPolarHBondContact O-CD2 3.43Å; L447-L462 HydrophobicContact CD2-CD2 3.8Å; L447-L462 HydrophobicContact CG-CD2 4.04Å; P458-L462 HydrophobicContact CB-CB 4.05Å; P458-L462 HydrophobicContact CB-CD2 3.73Å; P458-L462 HydrophobicContact CB-CG 3.86Å; S459-L462 PolarHBondContact O-N 2.84Å; S459-L462 VanDerWaalsContact O-N 3.13Å; S459-L462 WeakPolarHBondContact OG-CB 3.24Å; S459-L462 PolarHBondContact OG-N 3.4Å; L462-L464 PolarHBondContact O-N 3.49Å; L462-I465 PolarHBondContact O-N 2.91Å; L462-L466 HydrophobicContact CD1-CD1 3.89Å; L462-L466 HydrophobicContact CD1-CD2 4.33Å; L462-L466 HydrophobicContact CD1-CG 3.86Å; L462-L466 HydrophobicContact CG-CD1 3.92Å; L462-L466 HydrophobicContact CG-CG 4.31Å; L462-L466 WeakPolarHBondContact O-CB 3.13Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.29Å; L462-L466 PolarHBondContact O-N 2.88Å
463G92.5Very high82.3Confident0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-56.6-48.417600000112.2S459 Y460 H461 L466 F467 I500S459-G463 PolarHBondContact O-N 3.41Å; Y460-G463 PolarHBondContact O-N 2.97Å; H461-G463 VanDerWaalsContact C-N 3.32Å; H461-G463 PolarHBondContact O-N 3.21Å; G463-L466 PolarHBondContact O-N 3.3Å; G463-F467 WeakPolarHBondContact O-CB 3.5Å; G463-F467 PolarHBondContact O-N 3.49Å; G463-I500 VanDerWaalsContact C-CG2 3.41Å; G463-I500 WeakPolarHBondContact O-CG2 3.02Å
464L91.1Very high83.6Confident0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-61.3-46.1176.8-76.4172.3000112.6L416 Y460 H461 L462 F467 L468 L492 I495 I500L416-L464 HydrophobicContact CD2-CD1 4.14Å; Y460-L464 HydrophobicContact CD1-CD1 3.63Å; Y460-L464 HydrophobicContact CD1-CG 4.3Å; Y460-L464 HydrophobicContact CE1-CD1 3.16Å; Y460-L464 HydrophobicContact CE1-CD2 4.45Å; Y460-L464 HydrophobicContact CE1-CG 3.9Å; Y460-L464 HydrophobicContact CE2-CD1 4.5Å; Y460-L464 HydrophobicContact CE2-CG 4.39Å; Y460-L464 HydrophobicContact CG-CD1 4.47Å; Y460-L464 WeakPolarHBondContact O-CG 3.44Å; Y460-L464 PolarHBondContact O-N 3.39Å; H461-L464 PolarHBondContact O-N 2.91Å; L462-L464 PolarHBondContact O-N 3.49Å; L464-F467 PolarHBondContact O-N 3.29Å; L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 WeakPolarHBondContact O-CG 3.23Å; L464-L468 PolarHBondContact O-N 3.18Å; L464-L492 HydrophobicContact CB-CD2 4.01Å; L464-L492 HydrophobicContact CD1-CD2 3.89Å; L464-L492 HydrophobicContact CD2-CD2 3.82Å; L464-L492 WeakPolarHBondContact CD2-O 3.32Å; L464-L492 HydrophobicContact CG-CD2 4.13Å; L464-I495 HydrophobicContact CD2-CB 4.36Å; L464-I495 HydrophobicContact CD2-CD1 4.15Å; L464-I500 HydrophobicContact CD2-CD1 3.45Å; L464-I500 VanDerWaalsContact CD2-CD1 3.45Å; L464-I500 HydrophobicContact CD2-CG1 4.36Å; L464-I500 HydrophobicContact CG-CD1 4.04Å
465I91.4Very high84.7Confident0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-55.6-55.3175.6-73165.6000109.4I350 F354 F409 I412 L413 L416 L418 V445 H461 L462 F467 L468 M469I350-I465 HydrophobicContact CG2-CG2 4.02Å; F354-I465 HydrophobicContact CE2-CG2 4.3Å; F409-I465 HydrophobicContact CD2-CG2 4.43Å; F409-I465 HydrophobicContact CE2-CG2 3.68Å; I412-I465 HydrophobicContact CG2-CG1 3.98Å; L413-I465 HydrophobicContact CD2-CD1 4.29Å; L416-I465 HydrophobicContact CD1-CD1 4.2Å; L416-I465 HydrophobicContact CD1-CG1 3.77Å; L418-I465 HydrophobicContact CD1-CD1 4.18Å; V445-I465 HydrophobicContact CG1-CD1 4.31Å; V445-I465 HydrophobicContact CG2-CD1 3.91Å; H461-I465 VanDerWaalsContact O-CG1 3.32Å; H461-I465 WeakPolarHBondContact O-CG1 3.47Å; H461-I465 PolarHBondContact O-N 2.88Å; L462-I465 PolarHBondContact O-N 2.91Å; I465-F467 VanDerWaalsContact C-N 3.3Å; I465-F467 PolarHBondContact O-N 3.12Å; I465-L468 PolarHBondContact O-N 3.44Å; I465-M469 HydrophobicContact CG2-CG 4.26Å; I465-M469 WeakPolarHBondContact O-CB 3.29Å; I465-M469 WeakPolarHBondContact O-CG 3.26Å; I465-M469 PolarHBondContact O-N 2.61Å
466L91.3Very high85.2Confident1 Ų120.6 Ų20.61%0.00510%0.104CC..Hα-helixtrans-61.1-39.9-178.1-65.3176.4000112L353 F354 L462 G463 Y470 I504 L507 L508 I511L353-L466 HydrophobicContact CD2-CD2 3.91Å; F354-L466 HydrophobicContact CZ-CD2 3.98Å; L462-L466 HydrophobicContact CD1-CD1 3.89Å; L462-L466 HydrophobicContact CD1-CD2 4.33Å; L462-L466 HydrophobicContact CD1-CG 3.86Å; L462-L466 HydrophobicContact CG-CD1 3.92Å; L462-L466 HydrophobicContact CG-CG 4.31Å; L462-L466 WeakPolarHBondContact O-CB 3.13Å; L462-L466 VanDerWaalsContact O-CG 3.27Å; L462-L466 WeakPolarHBondContact O-CG 3.29Å; L462-L466 PolarHBondContact O-N 2.88Å; G463-L466 PolarHBondContact O-N 3.3Å; L466-Y470 VanDerWaalsContact O-CB 3.25Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 2.69Å; L466-I504 HydrophobicContact CB-CB 4.21Å; L466-I504 HydrophobicContact CB-CD1 4.2Å; L466-I504 HydrophobicContact CB-CG2 3.86Å; L466-I504 HydrophobicContact CD1-CD1 4.21Å; L466-L507 HydrophobicContact CB-CD1 4.46Å; L466-L508 HydrophobicContact CD1-CD2 3.83Å; L466-I511 HydrophobicContact CD1-CD1 3.67Å; L466-I511 HydrophobicContact CD2-CD1 3.9Å; L466-I511 HydrophobicContact CG-CD1 4.45Å
467F90.7Very high84.5Confident26 Ų2621.8 Ų21.811%0.11411%0.108CC..Hα-helixtrans-66-49.3180173.9-96.1000112.3G463 L464 I465 M469 Y470 T471 I495 T499 I500 T503 I504G463-F467 WeakPolarHBondContact O-CB 3.5Å; G463-F467 PolarHBondContact O-N 3.49Å; L464-F467 PolarHBondContact O-N 3.29Å; I465-F467 VanDerWaalsContact C-N 3.3Å; I465-F467 PolarHBondContact O-N 3.12Å; F467-M469 VanDerWaalsContact C-N 3.31Å; F467-M469 PolarHBondContact O-N 3.43Å; F467-Y470 PolarHBondContact O-N 3.13Å; F467-T471 WeakPolarHBondContact O-CB 3.3Å; F467-T471 PolarHBondContact O-N 2.94Å; F467-T471 PolarHBondContact O-OG1 3.3Å; F467-I495 HydrophobicContact CD1-CD1 4.11Å; F467-I495 HydrophobicContact CD1-CG2 4.42Å; F467-I495 HydrophobicContact CE1-CD1 3.9Å; F467-I495 HydrophobicContact CE1-CG2 4.06Å; F467-I495 HydrophobicContact CZ-CG2 4.36Å; F467-T499 HydrophobicContact CE2-CG2 4.23Å; F467-T499 HydrophobicContact CZ-CG2 4.43Å; F467-I500 HydrophobicContact CB-CG1 4.36Å; F467-I500 HydrophobicContact CB-CG2 4.06Å; F467-I500 HydrophobicContact CD2-CG1 4.49Å; F467-I500 HydrophobicContact CG-CG1 4.22Å; F467-T503 HydrophobicContact CD2-CG2 3.86Å; F467-T503 HydrophobicContact CE2-CG2 3.96Å; F467-I504 HydrophobicContact CB-CG2 3.89Å
468L88.2Confident83.5Confident0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-64.8-40.4-179.5-74.3-175.3000111.3Y408 I412 L464 I465 T471 F472 S488 L489 L492 I495Y408-L468 HydrophobicContact CE1-CB 4.38Å; I412-L468 HydrophobicContact CD1-CB 3.65Å; I412-L468 HydrophobicContact CD1-CD1 3.97Å; I412-L468 HydrophobicContact CG1-CB 4.37Å; I412-L468 HydrophobicContact CG1-CD1 3.78Å; I412-L468 HydrophobicContact CG2-CD1 4.15Å; L464-L468 WeakPolarHBondContact O-CB 3.34Å; L464-L468 WeakPolarHBondContact O-CG 3.23Å; L464-L468 PolarHBondContact O-N 3.18Å; I465-L468 PolarHBondContact O-N 3.44Å; L468-T471 PolarHBondContact O-N 2.89Å; L468-F472 WeakPolarHBondContact O-CB 3.42Å; L468-F472 PolarHBondContact O-N 2.84Å; L468-S488 WeakPolarHBondContact CD2-OG 3.36Å; L468-L489 HydrophobicContact CD1-CG 4.48Å; L468-L492 HydrophobicContact CD1-CD1 4.12Å; L468-L492 HydrophobicContact CD1-CD2 3.39Å; L468-L492 HydrophobicContact CD1-CG 3.84Å; L468-L492 HydrophobicContact CG-CD2 4.22Å; L468-I495 HydrophobicContact CD2-CD1 4.33Å
469M85Confident82Confident0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-68-41.3178.2-58.7-83.6-59.900111.3F354 L405 F409 I412 I465 F467 T471 F472 I473F354-M469 HydrophobicContact CB-CE 3.73Å; F354-M469 HydrophobicContact CD1-CB 3.75Å; F354-M469 HydrophobicContact CD1-CE 3.48Å; F354-M469 VanDerWaalsContact CD1-CE 3.48Å; F354-M469 HydrophobicContact CD1-CG 4.3Å; F354-M469 HydrophobicContact CD2-CE 2.95Å; F354-M469 HydrophobicContact CD2-CG 4.28Å; F354-M469 HydrophobicContact CD2-SD 4.2Å; F354-M469 HydrophobicContact CE1-CB 2.99Å; F354-M469 HydrophobicContact CE1-CE 3.81Å; F354-M469 HydrophobicContact CE1-CG 3.62Å; F354-M469 HydrophobicContact CE1-SD 4.48Å; F354-M469 HydrophobicContact CE2-CB 3.88Å; F354-M469 HydrophobicContact CE2-CE 3.2Å; F354-M469 HydrophobicContact CE2-CG 3.46Å; F354-M469 VanDerWaalsContact CE2-CG 3.46Å; F354-M469 HydrophobicContact CE2-SD 3.86Å; F354-M469 HydrophobicContact CG-CE 3.08Å; F354-M469 HydrophobicContact CZ-CB 3.07Å; F354-M469 HydrophobicContact CZ-CE 3.68Å; F354-M469 HydrophobicContact CZ-CG 3.13Å; F354-M469 HydrophobicContact CZ-SD 4.09Å; L405-M469 HydrophobicContact CD1-CE 3.79Å; L405-M469 HydrophobicContact CD2-CE 4.21Å; L405-M469 HydrophobicContact CG-CE 4.07Å; F409-M469 HydrophobicContact CB-CE 4.06Å; F409-M469 HydrophobicContact CB-SD 3.84Å; F409-M469 HydrophobicContact CD2-CE 4.06Å; F409-M469 HydrophobicContact CD2-CG 4.47Å; F409-M469 HydrophobicContact CD2-SD 3.48Å; F409-M469 WeakPolarHBondContact CD2-SD 3.29Å; F409-M469 HydrophobicContact CE2-SD 4.4Å; F409-M469 HydrophobicContact CG-CE 4.19Å; F409-M469 HydrophobicContact CG-SD 4Å; I412-M469 HydrophobicContact CD1-CG 4.06Å; I412-M469 HydrophobicContact CD1-SD 3.84Å; I465-M469 HydrophobicContact CG2-CG 4.26Å; I465-M469 WeakPolarHBondContact O-CB 3.29Å; I465-M469 WeakPolarHBondContact O-CG 3.26Å; I465-M469 PolarHBondContact O-N 2.61Å; F467-M469 VanDerWaalsContact C-N 3.31Å; F467-M469 PolarHBondContact O-N 3.43Å; M469-T471 VanDerWaalsContact C-N 3.33Å; M469-T471 PolarHBondContact O-N 3.2Å; M469-F472 PolarHBondContact O-N 2.86Å; M469-I473 VanDerWaalsContact O-CG1 3.28Å; M469-I473 WeakPolarHBondContact O-CG1 3.44Å; M469-I473 PolarHBondContact O-N 3.34Å
470Y83.8Confident80.1Confident98 Ų9837 Ų3738%0.38419%0.187SC..Hα-helixtrans-59.5-44.4172.4179.2-94.6000111.9L466 F467 I473 S474 T503 L507L466-Y470 VanDerWaalsContact O-CB 3.25Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 PolarHBondContact O-N 2.69Å; F467-Y470 PolarHBondContact O-N 3.13Å; Y470-I473 PolarHBondContact O-N 3.06Å; Y470-S474 WeakPolarHBondContact CE1-OG 3.39Å; Y470-S474 VanDerWaalsContact O-CB 3.29Å; Y470-S474 WeakPolarHBondContact O-CB 3.49Å; Y470-S474 PolarHBondContact O-N 3.42Å; Y470-S474 PolarHBondContact O-OG 3.15Å; Y470-T503 HydrophobicContact CD1-CG2 3.3Å; Y470-T503 HydrophobicContact CE1-CG2 3.49Å; Y470-T503 VanDerWaalsContact CE1-CG2 3.49Å; Y470-T503 HydrophobicContact CG-CG2 4.16Å; Y470-L507 HydrophobicContact CD2-CD1 4.08Å; Y470-L507 HydrophobicContact CD2-CG 4.4Å; Y470-L507 HydrophobicContact CG-CD1 4.4Å
471T81.6Confident78.5Confident29 Ų2937.8 Ų37.818%0.17820%0.204CC..Hα-helixtrans-65.5-42179.7-55.10000110.9F467 L468 M469 S474 N475F467-T471 WeakPolarHBondContact O-CB 3.3Å; F467-T471 PolarHBondContact O-N 2.94Å; F467-T471 PolarHBondContact O-OG1 3.3Å; L468-T471 PolarHBondContact O-N 2.89Å; M469-T471 VanDerWaalsContact C-N 3.33Å; M469-T471 PolarHBondContact O-N 3.2Å; T471-S474 PolarHBondContact O-N 2.91Å; T471-N475 WeakPolarHBondContact O-CB 3.2Å; T471-N475 PolarHBondContact O-N 3.42Å
472F80.5Confident76.9Confident3 Ų340.4 Ų40.41%0.01322%0.216CC..Hα-helixtrans-59.4-49.7175.4-178.5-99.1000111.5L405 Y408 L468 M469 S474 N475 I476 C485L405-F472 HydrophobicContact CB-CE1 4.2Å; L405-F472 HydrophobicContact CD1-CD1 3.49Å; L405-F472 VanDerWaalsContact CD1-CD1 3.49Å; L405-F472 HydrophobicContact CD1-CE1 3.6Å; Y408-F472 HydrophobicContact CD1-CB 3.89Å; Y408-F472 HydrophobicContact CD1-CD1 4.26Å; Y408-F472 AromaticContact CD1-CD2 3.69Å; Y408-F472 HydrophobicContact CD1-CD2 3.69Å; Y408-F472 HydrophobicContact CD1-CE2 4.25Å; Y408-F472 AromaticContact CD1-CG 3.69Å; Y408-F472 HydrophobicContact CD1-CG 3.69Å; Y408-F472 AromaticContact CD2-CD2 3.79Å; Y408-F472 HydrophobicContact CD2-CD2 3.79Å; Y408-F472 AromaticContact CD2-CE2 3.91Å; Y408-F472 HydrophobicContact CD2-CE2 3.91Å; Y408-F472 HydrophobicContact CE1-CB 3.57Å; Y408-F472 AromaticContact CE1-CD2 3.84Å; Y408-F472 HydrophobicContact CE1-CD2 3.84Å; Y408-F472 AromaticContact CE1-CG 3.85Å; Y408-F472 HydrophobicContact CE1-CG 3.85Å; Y408-F472 AromaticContact CE2-CD2 3.93Å; Y408-F472 HydrophobicContact CE2-CD2 3.93Å; Y408-F472 HydrophobicContact CE2-CE2 4.43Å; Y408-F472 AromaticContact CG-CD2 3.67Å; Y408-F472 HydrophobicContact CG-CD2 3.67Å; Y408-F472 AromaticContact CG-CE2 3.81Å; Y408-F472 HydrophobicContact CG-CE2 3.81Å; Y408-F472 HydrophobicContact CG-CG 4.11Å; Y408-F472 HydrophobicContact CG-CZ 4.34Å; Y408-F472 AromaticContact CZ-CD2 3.99Å; L468-F472 WeakPolarHBondContact O-CB 3.42Å; L468-F472 PolarHBondContact O-N 2.84Å; M469-F472 PolarHBondContact O-N 2.86Å; F472-S474 VanDerWaalsContact C-N 3.32Å; F472-S474 PolarHBondContact O-N 3.46Å; F472-N475 PolarHBondContact O-N 2.77Å; F472-I476 HydrophobicContact CD1-CD1 3.59Å; F472-I476 HydrophobicContact CD2-CD1 4.41Å; F472-I476 HydrophobicContact CE1-CD1 3.26Å; F472-I476 HydrophobicContact CE2-CD1 4.14Å; F472-I476 HydrophobicContact CG-CD1 4.17Å; F472-I476 HydrophobicContact CZ-CD1 3.57Å; F472-I476 WeakPolarHBondContact O-CB 3.36Å; F472-I476 WeakPolarHBondContact O-CD1 3.18Å; F472-I476 VanDerWaalsContact O-CG1 3.28Å; F472-I476 WeakPolarHBondContact O-CG1 3.47Å; F472-I476 PolarHBondContact O-N 2.94Å; F472-I476 VanDerWaalsContact O-N 3.14Å; F472-C485 HydrophobicContact CD2-CB 3.86Å
473I76.2Confident75.4Confident25 Ų2547.7 Ų47.713%0.12825%0.25CS..Hα-helixtrans-61.4-42.4176.4-65.9166.5000110.5F354 L357 M469 Y470 N477F354-I473 HydrophobicContact CD1-CD1 4.13Å; L357-I473 HydrophobicContact CB-CD1 4.2Å; L357-I473 HydrophobicContact CD1-CD1 4.5Å; M469-I473 VanDerWaalsContact O-CG1 3.28Å; M469-I473 WeakPolarHBondContact O-CG1 3.44Å; M469-I473 PolarHBondContact O-N 3.34Å; Y470-I473 PolarHBondContact O-N 3.06Å; I473-N477 PolarHBondContact O-N 3.13Å; I473-N477 PolarHBondContact O-ND2 2.87Å; I473-N477 PolarHBondContact O-OD1 2.89Å; I473-N477 VanDerWaalsContact O-OD1 3.06Å
474S75.9Confident74Confident24 Ų2452.9 Ų52.917%0.16828%0.275CS..Hα-helixtrans-68.7-39.7-178.4-61.10000113.6Y470 T471 F472 N477 N478Y470-S474 WeakPolarHBondContact CE1-OG 3.39Å; Y470-S474 VanDerWaalsContact O-CB 3.29Å; Y470-S474 WeakPolarHBondContact O-CB 3.49Å; Y470-S474 PolarHBondContact O-N 3.42Å; Y470-S474 PolarHBondContact O-OG 3.15Å; T471-S474 PolarHBondContact O-N 2.91Å; F472-S474 VanDerWaalsContact C-N 3.32Å; F472-S474 PolarHBondContact O-N 3.46Å; S474-N477 VanDerWaalsContact O-CB 3.27Å; S474-N477 WeakPolarHBondContact O-CB 3.43Å; S474-N477 PolarHBondContact O-N 3.05Å; S474-N477 VanDerWaalsContact O-N 3.15Å; S474-N478 PolarHBondContact O-N 2.94Å
475N73.5Confident72.7Confident28 Ų2853 Ų5315%0.1528%0.276CS..Hα-helixtrans-70.3-36.2178.6-74.4-12.7000111.8T471 F472 N477 N478 N479 D480 C485T471-N475 WeakPolarHBondContact O-CB 3.2Å; T471-N475 PolarHBondContact O-N 3.42Å; F472-N475 PolarHBondContact O-N 2.77Å; N475-N477 PolarHBondContact O-N 2.83Å; N475-N478 PolarHBondContact O-N 3.23Å; N475-N478 VanDerWaalsContact O-N 3.09Å; N475-N479 PolarHBondContact O-N 2.81Å; N475-D480 PolarHBondContact O-N 3.01Å; N475-C485 PolarHBondContact ND2-SG 3.22Å
476I67.7Low71.5Confident38 Ų3856.8 Ų56.820%0.19529%0.29CS..Hα-helixtrans-57.1-41.1169.6-74.4166000110.3F401 F472 N478 N479F401-I476 HydrophobicContact CD1-CD1 4.44Å; F401-I476 HydrophobicContact CE1-CD1 3.99Å; F401-I476 HydrophobicContact CE1-CG1 4.38Å; F401-I476 HydrophobicContact CE1-CG2 3.49Å; F401-I476 VanDerWaalsContact CE1-CG2 3.49Å; F401-I476 HydrophobicContact CZ-CG2 3.94Å; F472-I476 HydrophobicContact CD1-CD1 3.59Å; F472-I476 HydrophobicContact CD2-CD1 4.41Å; F472-I476 HydrophobicContact CE1-CD1 3.26Å; F472-I476 HydrophobicContact CE2-CD1 4.14Å; F472-I476 HydrophobicContact CG-CD1 4.17Å; F472-I476 HydrophobicContact CZ-CD1 3.57Å; F472-I476 WeakPolarHBondContact O-CB 3.36Å; F472-I476 WeakPolarHBondContact O-CD1 3.18Å; F472-I476 VanDerWaalsContact O-CG1 3.28Å; F472-I476 WeakPolarHBondContact O-CG1 3.47Å; F472-I476 PolarHBondContact O-N 2.94Å; F472-I476 VanDerWaalsContact O-N 3.14Å; I476-N478 PolarHBondContact O-N 3.48Å; I476-N479 PolarHBondContact O-N 3.29Å
477N62.6Low70.4Confident66 Ų6663 Ų6335%0.35332%0.319SS..Hα-helixtrans-61.8-28.3178-58.5-22000113.1F361 I473 S474 N475F361-N477 HydrophobicContact CE2-CB 4.25Å; F361-N477 VanDerWaalsContact CE2-CG 3.48Å; F361-N477 WeakPolarHBondContact CE2-OD1 3.37Å; F361-N477 HydrophobicContact CZ-CB 4.38Å; F361-N477 WeakPolarHBondContact CZ-OD1 3.42Å; I473-N477 PolarHBondContact O-N 3.13Å; I473-N477 PolarHBondContact O-ND2 2.87Å; I473-N477 PolarHBondContact O-OD1 2.89Å; I473-N477 VanDerWaalsContact O-OD1 3.06Å; S474-N477 VanDerWaalsContact O-CB 3.27Å; S474-N477 WeakPolarHBondContact O-CB 3.43Å; S474-N477 PolarHBondContact O-N 3.05Å; S474-N477 VanDerWaalsContact O-N 3.15Å; N475-N477 PolarHBondContact O-N 2.83Å
478N63.6Low69.5Low108 Ų10863.1 Ų63.158%0.57832%0.323SS*.THydrogen-bonded Turntrans-92.92.4-176.3-67.6-22.9000113.9S474 N475 I476 D480S474-N478 PolarHBondContact O-N 2.94Å; N475-N478 PolarHBondContact O-N 3.23Å; N475-N478 VanDerWaalsContact O-N 3.09Å; I476-N478 PolarHBondContact O-N 3.48Å; N478-D480 WeakPolarHBondContact CB-OD2 3.45Å; N478-D480 PolarHBondContact O-N 3.29Å
479N60.4Low69.1Low158 Ų15863.5 Ų63.585%0.84533%0.325SS*.THydrogen-bonded Turntrans55.323.6-168.3-77.9-31.4000113.6N475 I476N475-N479 PolarHBondContact O-N 2.81Å; I476-N479 PolarHBondContact O-N 3.29Å
480D53.3Low68.8Low77 Ų7768.7 Ų68.741%0.41235%0.353SS..  trans-75.6135174.5-77.6-43.5000109.6N475 N478 Q482N475-D480 PolarHBondContact O-N 3.01Å; N478-D480 WeakPolarHBondContact CB-OD2 3.45Å; N478-D480 PolarHBondContact O-N 3.29Å; D480-Q482 PolarHBondContact O-N 3.06Å
481A54.7Low68.6Low67 Ų6768.4 Ų68.455%0.55436%0.358SS*.  trans-57.3129.7-173.800000110.9Q483 Q484A481-Q483 PolarHBondContact O-N 2.91Å; A481-Q484 PolarHBondContact O-N 3.5Å; A481-Q484 VanDerWaalsContact O-N 3.09Å
482Q58.5Low68.5Low100 Ų10067.2 Ų67.247%0.46735%0.351SS..THydrogen-bonded Turntrans-43-25.7178.9-69.4176.7-33.900114.4D480 Q484 C485 Y486D480-Q482 PolarHBondContact O-N 3.06Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 3.28Å; Q482-C485 PolarHBondContact O-N 2.94Å; Q482-C485 VanDerWaalsContact O-N 3.13Å; Q482-Y486 HydrophobicContact CB-CD2 4.49Å; Q482-Y486 HydrophobicContact CB-CE2 4Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.45Å; Q482-Y486 PolarHBondContact O-N 2.59Å
483Q60.6Low68.6Low153 Ų15373.3 Ų73.372%0.71538%0.375SS*.Hα-helixtrans-50.2-38.3174.8-84.2-176.3-20.700115A481 C485 Y486 Q487A481-Q483 PolarHBondContact O-N 2.91Å; Q483-C485 VanDerWaalsContact C-N 3.33Å; Q483-C485 PolarHBondContact O-N 3.3Å; Q483-Y486 PolarHBondContact O-N 3.27Å; Q483-Q487 PolarHBondContact O-N 2.71Å
484Q63.2Low69Low110 Ų11078.2 Ų78.251%0.51440%0.401SS..Hα-helixtrans-66.3-36.1179.6-86.6-173.8-6.100112.5A481 Q482 Y486 Q487 S488A481-Q484 PolarHBondContact O-N 3.5Å; A481-Q484 VanDerWaalsContact O-N 3.09Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 3.28Å; Q484-Y486 VanDerWaalsContact C-N 3.27Å; Q484-Y486 PolarHBondContact O-N 2.97Å; Q484-Q487 PolarHBondContact O-N 3.32Å; Q484-S488 PolarHBondContact O-N 3.36Å
485C64Low69.3Low2 Ų278.6 Ų78.61%0.01440%0.401CS..Hα-helixtrans-67.8-29177.5-600000112.4Y408 F472 N475 Q482 Q483 S488Y408-C485 HydrophobicContact CE2-CB 3.92Å; Y408-C485 WeakPolarHBondContact CE2-O 3.45Å; Y408-C485 PolarHBondContact OH-O 3.22Å; F472-C485 HydrophobicContact CD2-CB 3.86Å; N475-C485 PolarHBondContact ND2-SG 3.22Å; Q482-C485 PolarHBondContact O-N 2.94Å; Q482-C485 VanDerWaalsContact O-N 3.13Å; Q483-C485 VanDerWaalsContact C-N 3.33Å; Q483-C485 PolarHBondContact O-N 3.3Å; C485-S488 PolarHBondContact O-OG 2.83Å
486Y66.9Low69.9Low80 Ų8080 Ų8031%0.31441%0.413SS..Hα-helixtrans-77.6-30.5175.9-66.1-67.8000112.2Y408 Q482 Q483 Q484 S488 L489Y408-Y486 HydrophobicContact CD2-CD1 4.17Å; Y408-Y486 AromaticContact CD2-CE1 3.74Å; Y408-Y486 HydrophobicContact CD2-CE1 3.74Å; Y408-Y486 HydrophobicContact CE2-CD1 4.18Å; Y408-Y486 HydrophobicContact CE2-CE1 4.21Å; Q482-Y486 HydrophobicContact CB-CD2 4.49Å; Q482-Y486 HydrophobicContact CB-CE2 4Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.45Å; Q482-Y486 PolarHBondContact O-N 2.59Å; Q483-Y486 PolarHBondContact O-N 3.27Å; Q484-Y486 VanDerWaalsContact C-N 3.27Å; Q484-Y486 PolarHBondContact O-N 2.97Å; Y486-S488 VanDerWaalsContact C-N 3.3Å; Y486-S488 PolarHBondContact O-N 3.32Å; Y486-L489 HydrophobicContact CD1-CD1 4.11Å; Y486-L489 WeakPolarHBondContact O-CB 2.93Å; Y486-L489 PolarHBondContact O-N 3.38Å
487Q67.8Low70.8Confident131 Ų13182.1 Ų82.161%0.61242%0.422SS*.Hα-helixtrans-65.2-30.6175.5-76.1-177.2-14.700113.5Q483 Q484 L489 D490Q483-Q487 PolarHBondContact O-N 2.71Å; Q484-Q487 PolarHBondContact O-N 3.32Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; Q487-D490 PolarHBondContact O-N 2.97Å
488S72.4Confident71.9Confident28 Ų2885.1 Ų85.120%0.19644%0.438CS..Hα-helixtrans-69.6-28.9177.456.50000112.8L468 Q484 C485 Y486 D490 N491 L492L468-S488 WeakPolarHBondContact CD2-OG 3.36Å; Q484-S488 PolarHBondContact O-N 3.36Å; C485-S488 PolarHBondContact O-OG 2.83Å; Y486-S488 VanDerWaalsContact C-N 3.3Å; Y486-S488 PolarHBondContact O-N 3.32Å; S488-D490 VanDerWaalsContact C-N 3.31Å; S488-D490 PolarHBondContact O-N 3.33Å; S488-N491 CarbonylContact O-C 3.46Å; S488-N491 PolarHBondContact O-N 3.34Å; S488-L492 PolarHBondContact O-N 3.02Å
489L78.5Confident72.9Confident8 Ų883.1 Ų83.14%0.04243%0.43CS..Hα-helixtrans-63.9-34.2175.1-83.5132.5000112.7Y408 Q411 I412 K415 L468 Y486 Q487 N491 L492Y408-L489 HydrophobicContact CD2-CD1 3.97Å; Y408-L489 HydrophobicContact CE2-CD1 3.24Å; Y408-L489 HydrophobicContact CE2-CG 4.45Å; Q411-L489 HydrophobicContact CB-CD2 4.27Å; I412-L489 HydrophobicContact CB-CD2 4.37Å; I412-L489 HydrophobicContact CG1-CD2 3.86Å; K415-L489 HydrophobicContact CB-CD2 4.33Å; K415-L489 HydrophobicContact CG-CD2 3.86Å; L468-L489 HydrophobicContact CD1-CG 4.48Å; Y486-L489 HydrophobicContact CD1-CD1 4.11Å; Y486-L489 WeakPolarHBondContact O-CB 2.93Å; Y486-L489 PolarHBondContact O-N 3.38Å; Q487-L489 VanDerWaalsContact C-N 3.32Å; L489-N491 PolarHBondContact O-N 3.38Å; L489-L492 HydrophobicContact CD2-CD1 4.19Å
490D78.2Confident74.2Confident110 Ų11075.6 Ų75.659%0.58839%0.389SS*.Hα-helixtrans-73-18180-70.8-30.3000113.1K415 Q487 S488K415-D490 IonicContact NZ-OD1 3.64Å; K415-D490 PolarHBondContact NZ-OD1 2.9Å; Q487-D490 PolarHBondContact O-N 2.97Å; S488-D490 VanDerWaalsContact C-N 3.31Å; S488-D490 PolarHBondContact O-N 3.33Å
491N80.4Confident75.8Confident91 Ų9173.8 Ų73.849%0.48738%0.377SS..THydrogen-bonded Turntrans-123.228.4-178.8-69.2-62.3000112.7S488 L489 Y493 N494S488-N491 CarbonylContact O-C 3.46Å; S488-N491 PolarHBondContact O-N 3.34Å; L489-N491 PolarHBondContact O-N 3.38Å; N491-Y493 VanDerWaalsContact C-N 3.29Å; N491-Y493 PolarHBondContact O-N 2.87Å; N491-Y493 VanDerWaalsContact O-N 3.16Å; N491-N494 HydrophobicContact CB-CB 4.35Å; N491-N494 WeakPolarHBondContact O-CB 3.01Å; N491-N494 PolarHBondContact O-N 3.45Å; N491-N494 PolarHBondContact OD1-ND2 3.38Å
492L80.3Confident77.2Confident5 Ų575 Ų753%0.02638%0.381CS..G310 helixtrans-46.8-46.4-175.1-110.6158.6000113.6K415 L416 L464 L468 S488 L489 N494 I495K415-L492 HydrophobicContact CB-CD1 3.68Å; K415-L492 HydrophobicContact CG-CD1 4.44Å; L416-L492 HydrophobicContact CD2-CD1 4.3Å; L416-L492 HydrophobicContact CD2-CD2 4.18Å; L464-L492 HydrophobicContact CB-CD2 4.01Å; L464-L492 HydrophobicContact CD1-CD2 3.89Å; L464-L492 HydrophobicContact CD2-CD2 3.82Å; L464-L492 WeakPolarHBondContact CD2-O 3.32Å; L464-L492 HydrophobicContact CG-CD2 4.13Å; L468-L492 HydrophobicContact CD1-CD1 4.12Å; L468-L492 HydrophobicContact CD1-CD2 3.39Å; L468-L492 HydrophobicContact CD1-CG 3.84Å; L468-L492 HydrophobicContact CG-CD2 4.22Å; S488-L492 PolarHBondContact O-N 3.02Å; L489-L492 HydrophobicContact CD2-CD1 4.19Å; L492-N494 VanDerWaalsContact C-N 3.3Å; L492-N494 PolarHBondContact O-N 3.32Å; L492-I495 WeakPolarHBondContact O-CG1 3.39Å
493Y82.6Confident78.5Confident131 Ų13172 Ų7251%0.51437%0.371SS..G310 helixtrans-80.6-3.8-178-64.9-77.6000114.9Y460 N491Y460-Y493 AromaticContact CE1-CD1 3.86Å; Y460-Y493 HydrophobicContact CE1-CD1 3.86Å; Y460-Y493 HydrophobicContact CE1-CE1 4.19Å; N491-Y493 VanDerWaalsContact C-N 3.29Å; N491-Y493 PolarHBondContact O-N 2.87Å; N491-Y493 VanDerWaalsContact O-N 3.16Å
494N84.5Confident79.9Confident128 Ų12864.8 Ų64.868%0.68434%0.337SS*.G310 helixtrans-90.4-5.8175.9-65.4-26.1000112.6N491 L492N491-N494 HydrophobicContact CB-CB 4.35Å; N491-N494 WeakPolarHBondContact O-CB 3.01Å; N491-N494 PolarHBondContact O-N 3.45Å; N491-N494 PolarHBondContact OD1-ND2 3.38Å; L492-N494 VanDerWaalsContact C-N 3.3Å; L492-N494 PolarHBondContact O-N 3.32Å
495I82.1Confident81.1Confident32 Ų3263.1 Ų63.116%0.16433%0.329CS..SBendtrans-78.6125-178.9-51.8172.6000108.8Y460 L464 F467 L468 L492 I500Y460-I495 PolarHBondContact OH-O 2.9Å; L464-I495 HydrophobicContact CD2-CB 4.36Å; L464-I495 HydrophobicContact CD2-CD1 4.15Å; F467-I495 HydrophobicContact CD1-CD1 4.11Å; F467-I495 HydrophobicContact CD1-CG2 4.42Å; F467-I495 HydrophobicContact CE1-CD1 3.9Å; F467-I495 HydrophobicContact CE1-CG2 4.06Å; F467-I495 HydrophobicContact CZ-CG2 4.36Å; L468-I495 HydrophobicContact CD2-CD1 4.33Å; L492-I495 WeakPolarHBondContact O-CG1 3.39Å; I495-I500 HydrophobicContact CB-CD1 4.21Å; I495-I500 HydrophobicContact CB-CG1 4.4Å; I495-I500 HydrophobicContact CG2-CD1 3.95Å; I495-I500 HydrophobicContact CG2-CG1 3.6Å
496S85.9Confident82.1Confident57 Ų5768.4 Ų68.440%0.39936%0.361SS..  trans-70.9141.1-178.687.30000112.2N498 T499 I500S496-N498 VanDerWaalsContact C-N 3.26Å; S496-N498 PolarHBondContact O-N 3.1Å; S496-T499 WeakPolarHBondContact O-CB 3.27Å; S496-T499 PolarHBondContact O-N 3.07Å; S496-T499 PolarHBondContact OG-N 2.63Å; S496-T499 PolarHBondContact OG-OG1 2.91Å; S496-I500 WeakPolarHBondContact O-CG1 3.42Å; S496-I500 PolarHBondContact O-N 3.47Å; S496-I500 VanDerWaalsContact O-N 3.09Å
497E85.7Confident83.2Confident82 Ų8264.9 Ų64.938%0.38335%0.348SS..Hα-helixtrans-53.2-41.6176.7-75.1-176.1-171.600112.7N455 Y460 T499 I500 Y501N455-E497 PolarHBondContact ND2-OE2 2.91Å; Y460-E497 HydrophobicContact CD2-CG 3.78Å; Y460-E497 HydrophobicContact CE2-CG 3.82Å; E497-T499 VanDerWaalsContact C-N 3.3Å; E497-T499 PolarHBondContact O-N 3.12Å; E497-I500 WeakPolarHBondContact O-CB 3.49Å; E497-I500 PolarHBondContact O-N 2.91Å; E497-I500 VanDerWaalsContact O-N 3.14Å; E497-Y501 HydrophobicContact CB-CD2 4.09Å; E497-Y501 HydrophobicContact CB-CE2 3.76Å; E497-Y501 HydrophobicContact CG-CE2 4.14Å; E497-Y501 WeakPolarHBondContact O-CB 3.09Å; E497-Y501 VanDerWaalsContact O-CD2 3.3Å; E497-Y501 WeakPolarHBondContact O-CD2 3.42Å; E497-Y501 VanDerWaalsContact O-CG 3.3Å; E497-Y501 PolarHBondContact O-N 3.45Å
498N85.4Confident84.3Confident129 Ų12958.8 Ų58.869%0.6932%0.319SS*.Hα-helixtrans-59.7-40.9178-70.1-27.9000112.2S496 S502S496-N498 VanDerWaalsContact C-N 3.26Å; S496-N498 PolarHBondContact O-N 3.1Å; N498-S502 VanDerWaalsContact O-CB 3.3Å; N498-S502 WeakPolarHBondContact O-CB 2.94Å; N498-S502 PolarHBondContact O-N 3.44Å; N498-S502 VanDerWaalsContact O-N 3.13Å; N498-S502 PolarHBondContact O-OG 3.32Å
499T85.6Confident85.2Confident66 Ų6661 Ų6141%0.40533%0.329SS..Hα-helixtrans-65.2-44.9175.9-53.40000110.7F467 S496 E497 S502 T503F467-T499 HydrophobicContact CE2-CG2 4.23Å; F467-T499 HydrophobicContact CZ-CG2 4.43Å; S496-T499 WeakPolarHBondContact O-CB 3.27Å; S496-T499 PolarHBondContact O-N 3.07Å; S496-T499 PolarHBondContact OG-N 2.63Å; S496-T499 PolarHBondContact OG-OG1 2.91Å; E497-T499 VanDerWaalsContact C-N 3.3Å; E497-T499 PolarHBondContact O-N 3.12Å; T499-S502 PolarHBondContact O-OG 2.47Å; T499-T503 WeakPolarHBondContact O-CB 3.32Å; T499-T503 PolarHBondContact O-N 3.13Å; T499-T503 PolarHBondContact O-OG1 2.85Å
500I87.9Confident85.8Confident0 Ų064.6 Ų64.60%034%0.342CS..Hα-helixtrans-59-57.7179.3-67.1166.8000109.8Y460 G463 L464 F467 I495 S496 E497 S502 T503 I504Y460-I500 HydrophobicContact CD2-CD1 4.46Å; Y460-I500 HydrophobicContact CE2-CD1 3.74Å; G463-I500 VanDerWaalsContact C-CG2 3.41Å; G463-I500 WeakPolarHBondContact O-CG2 3.02Å; L464-I500 HydrophobicContact CD2-CD1 3.45Å; L464-I500 VanDerWaalsContact CD2-CD1 3.45Å; L464-I500 HydrophobicContact CD2-CG1 4.36Å; L464-I500 HydrophobicContact CG-CD1 4.04Å; F467-I500 HydrophobicContact CB-CG1 4.36Å; F467-I500 HydrophobicContact CB-CG2 4.06Å; F467-I500 HydrophobicContact CD2-CG1 4.49Å; F467-I500 HydrophobicContact CG-CG1 4.22Å; I495-I500 HydrophobicContact CB-CD1 4.21Å; I495-I500 HydrophobicContact CB-CG1 4.4Å; I495-I500 HydrophobicContact CG2-CD1 3.95Å; I495-I500 HydrophobicContact CG2-CG1 3.6Å; S496-I500 WeakPolarHBondContact O-CG1 3.42Å; S496-I500 PolarHBondContact O-N 3.47Å; S496-I500 VanDerWaalsContact O-N 3.09Å; E497-I500 WeakPolarHBondContact O-CB 3.49Å; E497-I500 PolarHBondContact O-N 2.91Å; E497-I500 VanDerWaalsContact O-N 3.14Å; I500-S502 PolarHBondContact O-N 2.75Å; I500-T503 PolarHBondContact O-N 3.17Å; I500-T503 VanDerWaalsContact O-N 3.13Å; I500-I504 HydrophobicContact CG2-CD1 4.03Å; I500-I504 WeakPolarHBondContact O-CG1 3.24Å; I500-I504 PolarHBondContact O-N 2.77Å; I500-I504 VanDerWaalsContact O-N 3.1Å
501Y86.1Confident86.6Confident39 Ų3959.4 Ų59.415%0.15331%0.314CS..Hα-helixtrans-67.4-39.7-171.1-60.6-31.5000113.1P458 E497 T503 I504 Q505P458-Y501 HydrophobicContact CG-CD1 4.08Å; P458-Y501 HydrophobicContact CG-CE1 3.75Å; P458-Y501 PolarHBondContact O-OH 3.09Å; E497-Y501 HydrophobicContact CB-CD2 4.09Å; E497-Y501 HydrophobicContact CB-CE2 3.76Å; E497-Y501 HydrophobicContact CG-CE2 4.14Å; E497-Y501 WeakPolarHBondContact O-CB 3.09Å; E497-Y501 VanDerWaalsContact O-CD2 3.3Å; E497-Y501 WeakPolarHBondContact O-CD2 3.42Å; E497-Y501 VanDerWaalsContact O-CG 3.3Å; E497-Y501 PolarHBondContact O-N 3.45Å; Y501-T503 PolarHBondContact O-N 3.08Å; Y501-I504 HydrophobicContact CD1-CD1 4.08Å; Y501-I504 PolarHBondContact O-N 3.13Å; Y501-Q505 PolarHBondContact O-N 2.52Å
502S84.6Confident87.3Confident92 Ų9255.2 Ų55.264%0.64329%0.291SS*.Hα-helixtrans-62.3-29.6174.459.10000113.5N498 T499 I500N498-S502 VanDerWaalsContact O-CB 3.3Å; N498-S502 WeakPolarHBondContact O-CB 2.94Å; N498-S502 PolarHBondContact O-N 3.44Å; N498-S502 VanDerWaalsContact O-N 3.13Å; N498-S502 PolarHBondContact O-OG 3.32Å; T499-S502 PolarHBondContact O-OG 2.47Å; I500-S502 PolarHBondContact O-N 2.75Å
503T85.9Confident87.9Confident39 Ų3958.5 Ų58.524%0.23931%0.312CS..Hα-helixtrans-81.5-38.9-179.3-560000112F467 Y470 T499 I500 Y501F467-T503 HydrophobicContact CD2-CG2 3.86Å; F467-T503 HydrophobicContact CE2-CG2 3.96Å; Y470-T503 HydrophobicContact CD1-CG2 3.3Å; Y470-T503 HydrophobicContact CE1-CG2 3.49Å; Y470-T503 VanDerWaalsContact CE1-CG2 3.49Å; Y470-T503 HydrophobicContact CG-CG2 4.16Å; T499-T503 WeakPolarHBondContact O-CB 3.32Å; T499-T503 PolarHBondContact O-N 3.13Å; T499-T503 PolarHBondContact O-OG1 2.85Å; I500-T503 PolarHBondContact O-N 3.17Å; I500-T503 VanDerWaalsContact O-N 3.13Å; Y501-T503 PolarHBondContact O-N 3.08Å
504I90.1Very high88.6Confident0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-91.1-0.5-170.969177.8000114.3P458 L466 F467 I500 Y501 T506 L507 L508P458-I504 HydrophobicContact CG-CD1 4.06Å; L466-I504 HydrophobicContact CB-CB 4.21Å; L466-I504 HydrophobicContact CB-CD1 4.2Å; L466-I504 HydrophobicContact CB-CG2 3.86Å; L466-I504 HydrophobicContact CD1-CD1 4.21Å; F467-I504 HydrophobicContact CB-CG2 3.89Å; I500-I504 HydrophobicContact CG2-CD1 4.03Å; I500-I504 WeakPolarHBondContact O-CG1 3.24Å; I500-I504 PolarHBondContact O-N 2.77Å; I500-I504 VanDerWaalsContact O-N 3.1Å; Y501-I504 HydrophobicContact CD1-CD1 4.08Å; Y501-I504 PolarHBondContact O-N 3.13Å; I504-T506 VanDerWaalsContact C-N 3.26Å; I504-T506 PolarHBondContact O-N 3.01Å; I504-T506 VanDerWaalsContact O-N 3.16Å; I504-L507 CarbonylContact O-C 3.46Å; I504-L507 WeakPolarHBondContact O-CA 2.99Å; I504-L507 WeakPolarHBondContact O-CB 2.92Å; I504-L507 PolarHBondContact O-N 2.75Å; I504-L508 HydrophobicContact CD1-CD1 4.1Å; I504-L508 HydrophobicContact CD1-CG 4.27Å; I504-L508 HydrophobicContact CG1-CD1 3.91Å; I504-L508 HydrophobicContact CG1-CG 4.11Å; I504-L508 PolarHBondContact O-N 2.93Å
505Q87.8Confident89.1Confident75 Ų7548 Ų4835%0.3527%0.265SS..Hα-helixtrans-54.4-40.7-174.4-167.264.132.100113.3Y501 L507 L508 N509Y501-Q505 PolarHBondContact O-N 2.52Å; Q505-L507 VanDerWaalsContact C-N 3.32Å; Q505-L507 PolarHBondContact O-N 2.84Å; Q505-L508 PolarHBondContact O-N 2.9Å; Q505-N509 PolarHBondContact O-N 3.46Å
506T85.3Confident89.8Confident113 Ų11349 Ų4969%0.69327%0.27SS*.Hα-helixtrans-64.3-37.5176.8-53.90000112I504 R510I504-T506 VanDerWaalsContact C-N 3.26Å; I504-T506 PolarHBondContact O-N 3.01Å; I504-T506 VanDerWaalsContact O-N 3.16Å; T506-R510 PolarHBondContact O-N 2.86Å
507L89.3Confident90.4Very high7 Ų751.7 Ų51.74%0.03728%0.276CS..Hα-helixtrans-69.5-41.3175.5-68.4-177.5000111.5L357 L466 Y470 I504 Q505 N509 R510 I511L357-L507 HydrophobicContact CD1-CD2 3.43Å; L357-L507 VanDerWaalsContact CD1-CD2 3.43Å; L357-L507 HydrophobicContact CD2-CD2 3.56Å; L357-L507 HydrophobicContact CG-CD2 4.14Å; L466-L507 HydrophobicContact CB-CD1 4.46Å; Y470-L507 HydrophobicContact CD2-CD1 4.08Å; Y470-L507 HydrophobicContact CD2-CG 4.4Å; Y470-L507 HydrophobicContact CG-CD1 4.4Å; I504-L507 CarbonylContact O-C 3.46Å; I504-L507 WeakPolarHBondContact O-CA 2.99Å; I504-L507 WeakPolarHBondContact O-CB 2.92Å; I504-L507 PolarHBondContact O-N 2.75Å; Q505-L507 VanDerWaalsContact C-N 3.32Å; Q505-L507 PolarHBondContact O-N 2.84Å; L507-N509 PolarHBondContact O-N 3.29Å; L507-R510 WeakPolarHBondContact O-CB 3.47Å; L507-R510 PolarHBondContact O-N 3.44Å; L507-R510 VanDerWaalsContact O-N 3.15Å; L507-I511 WeakPolarHBondContact O-CG1 3.24Å; L507-I511 PolarHBondContact O-N 3.4Å
508L91.8Very high90.8Very high3 Ų349.1 Ų49.12%0.01626%0.264CS..Hα-helixtrans-59.9-46.7175.5-70174.1000111.6L447 P458 L466 I504 Q505 R510 I511 Y512L447-L508 HydrophobicContact CD2-CD2 4.19Å; P458-L508 HydrophobicContact CB-CD2 4.04Å; P458-L508 HydrophobicContact CG-CD1 3.89Å; P458-L508 HydrophobicContact CG-CD2 3.84Å; P458-L508 HydrophobicContact CG-CG 4.48Å; L466-L508 HydrophobicContact CD1-CD2 3.83Å; I504-L508 HydrophobicContact CD1-CD1 4.1Å; I504-L508 HydrophobicContact CD1-CG 4.27Å; I504-L508 HydrophobicContact CG1-CD1 3.91Å; I504-L508 HydrophobicContact CG1-CG 4.11Å; I504-L508 PolarHBondContact O-N 2.93Å; Q505-L508 PolarHBondContact O-N 2.9Å; L508-R510 PolarHBondContact O-N 3.4Å; L508-I511 HydrophobicContact CD2-CD1 4.45Å; L508-I511 WeakPolarHBondContact O-CA 3.35Å; L508-I511 WeakPolarHBondContact O-CB 3.43Å; L508-I511 PolarHBondContact O-N 3.49Å; L508-Y512 HydrophobicContact CB-CE2 4.07Å; L508-Y512 WeakPolarHBondContact O-CD1 3.49Å; L508-Y512 VanDerWaalsContact O-CD2 3.31Å; L508-Y512 WeakPolarHBondContact O-CD2 3.31Å; L508-Y512 PolarHBondContact O-N 3.06Å
509N90.5Very high91.4Very high74 Ų7443 Ų4340%0.39623%0.232SC..Hα-helixtrans-58.9-37.7175.6-71.7-18.2000112.2Q505 L507 Y512 T513Q505-N509 PolarHBondContact O-N 3.46Å; L507-N509 PolarHBondContact O-N 3.29Å; N509-Y512 PolarHBondContact O-N 3.15Å; N509-T513 PolarHBondContact O-N 3.24Å; N509-T513 VanDerWaalsContact O-N 3.11Å; N509-T513 PolarHBondContact O-OG1 3.3Å; N509-T513 VanDerWaalsContact O-OG1 3.11Å
510R91.5Very high92Very high84 Ų8445.8 Ų45.832%0.31724%0.238SC..Hα-helixtrans-66.2-43.1174.3-172.4173.2-177.91582.2111.6L353 T506 L507 L508 Y512 T513 I514L353-R510 HydrophobicContact CD1-CG 4.28Å; T506-R510 PolarHBondContact O-N 2.86Å; L507-R510 WeakPolarHBondContact O-CB 3.47Å; L507-R510 PolarHBondContact O-N 3.44Å; L507-R510 VanDerWaalsContact O-N 3.15Å; L508-R510 PolarHBondContact O-N 3.4Å; R510-Y512 VanDerWaalsContact C-N 3.35Å; R510-Y512 PolarHBondContact O-N 2.85Å; R510-T513 PolarHBondContact O-N 2.76Å; R510-I514 HydrophobicContact CG-CD1 4.07Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.36Å; R510-I514 PolarHBondContact O-N 3.06Å
511I94.8Very high92.4Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-58.5-47.3175-70166.8000110.2L345 F349 L353 L447 L466 L507 L508 T513 I514 L515L345-I511 HydrophobicContact CD1-CD1 4.38Å; L345-I511 HydrophobicContact CD1-CG2 4.19Å; F349-I511 HydrophobicContact CE1-CG1 4.23Å; F349-I511 HydrophobicContact CE1-CG2 4.04Å; F349-I511 HydrophobicContact CZ-CG2 4.01Å; L353-I511 HydrophobicContact CD1-CG1 4.18Å; L353-I511 HydrophobicContact CD2-CD1 3.69Å; L353-I511 HydrophobicContact CD2-CG1 3.59Å; L447-I511 HydrophobicContact CD1-CG2 3.96Å; L466-I511 HydrophobicContact CD1-CD1 3.67Å; L466-I511 HydrophobicContact CD2-CD1 3.9Å; L466-I511 HydrophobicContact CG-CD1 4.45Å; L507-I511 WeakPolarHBondContact O-CG1 3.24Å; L507-I511 PolarHBondContact O-N 3.4Å; L508-I511 HydrophobicContact CD2-CD1 4.45Å; L508-I511 WeakPolarHBondContact O-CA 3.35Å; L508-I511 WeakPolarHBondContact O-CB 3.43Å; L508-I511 PolarHBondContact O-N 3.49Å; I511-T513 VanDerWaalsContact C-N 3.34Å; I511-T513 PolarHBondContact O-N 3.04Å; I511-I514 PolarHBondContact O-N 3.39Å; I511-L515 HydrophobicContact CG2-CD1 3.81Å; I511-L515 HydrophobicContact CG2-CG 4.23Å; I511-L515 VanDerWaalsContact O-CG 3.3Å; I511-L515 WeakPolarHBondContact O-CG 3.38Å; I511-L515 PolarHBondContact O-N 2.77Å
512Y94.7Very high92.9Very high3 Ų347 Ų471%0.01225%0.247CC..Hα-helixtrans-61-41.8179.9-55.9-28.6000112.4L447 L508 N509 R510 L515 L516 L575 T576L447-Y512 HydrophobicContact CD1-CD1 4.24Å; L447-Y512 HydrophobicContact CD1-CE1 3.9Å; L447-Y512 HydrophobicContact CD2-CE1 3.94Å; L508-Y512 HydrophobicContact CB-CE2 4.07Å; L508-Y512 WeakPolarHBondContact O-CD1 3.49Å; L508-Y512 VanDerWaalsContact O-CD2 3.31Å; L508-Y512 WeakPolarHBondContact O-CD2 3.31Å; L508-Y512 PolarHBondContact O-N 3.06Å; N509-Y512 PolarHBondContact O-N 3.15Å; R510-Y512 VanDerWaalsContact C-N 3.35Å; R510-Y512 PolarHBondContact O-N 2.85Å; Y512-L515 PolarHBondContact O-N 3.22Å; Y512-L516 WeakPolarHBondContact O-CG 3.26Å; Y512-L516 PolarHBondContact O-N 3.35Å; Y512-L575 HydrophobicContact CE1-CB 4.06Å; Y512-L575 HydrophobicContact CE1-CD1 4.18Å; Y512-L575 HydrophobicContact CE2-CB 4.37Å; Y512-L575 WeakPolarHBondContact CE2-O 3.33Å; Y512-T576 HydrophobicContact CD2-CG2 3.61Å; Y512-T576 HydrophobicContact CG-CG2 3.91Å
513T94.7Very high93.5Very high74 Ų7444.4 Ų44.445%0.45422%0.223SC..Hα-helixtrans-61.2-46.7174.2-60.20000111.5N509 R510 I511 L515 L516 E517N509-T513 PolarHBondContact O-N 3.24Å; N509-T513 VanDerWaalsContact O-N 3.11Å; N509-T513 PolarHBondContact O-OG1 3.3Å; N509-T513 VanDerWaalsContact O-OG1 3.11Å; R510-T513 PolarHBondContact O-N 2.76Å; I511-T513 VanDerWaalsContact C-N 3.34Å; I511-T513 PolarHBondContact O-N 3.04Å; T513-L515 VanDerWaalsContact C-N 3.32Å; T513-L515 PolarHBondContact O-N 3.19Å; T513-L516 PolarHBondContact O-N 3.1Å; T513-E517 WeakPolarHBondContact O-CG 3.23Å; T513-E517 PolarHBondContact O-N 3.17Å
514I95.5Very high94.1Very high34 Ų3447.9 Ų47.917%0.17424%0.237CC..Hα-helixtrans-59.7-44.7177.7-67.8164.7000110.5F349 L353 R510 I511 L516 E517 Q518F349-I514 HydrophobicContact CE2-CG2 3.73Å; F349-I514 HydrophobicContact CZ-CB 4.48Å; F349-I514 HydrophobicContact CZ-CG2 4.03Å; L353-I514 HydrophobicContact CD1-CD1 3.79Å; R510-I514 HydrophobicContact CG-CD1 4.07Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.36Å; R510-I514 PolarHBondContact O-N 3.06Å; I511-I514 PolarHBondContact O-N 3.39Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.35Å; I514-E517 PolarHBondContact O-N 3.04Å; I514-Q518 HydrophobicContact CG2-CG 4.3Å; I514-Q518 WeakPolarHBondContact O-CG 3.43Å; I514-Q518 PolarHBondContact O-N 3.22Å
515L96.6Very high94.3Very high6 Ų650.9 Ų50.93%0.03125%0.25CC..Hα-helixtrans-63.5-38.6179.2-68.3172.2000112.1I343 L345 F349 L447 I511 Y512 T513 L519 I572I343-L515 HydrophobicContact CD1-CD1 4.27Å; I343-L515 HydrophobicContact CG2-CD1 4.31Å; I343-L515 HydrophobicContact CG2-CD2 4.24Å; L345-L515 HydrophobicContact CD2-CD2 4.32Å; F349-L515 HydrophobicContact CE2-CD2 3.93Å; F349-L515 HydrophobicContact CZ-CD2 4.13Å; F349-L515 HydrophobicContact CZ-CG 4.34Å; L447-L515 HydrophobicContact CD1-CD1 3.61Å; I511-L515 HydrophobicContact CG2-CD1 3.81Å; I511-L515 HydrophobicContact CG2-CG 4.23Å; I511-L515 VanDerWaalsContact O-CG 3.3Å; I511-L515 WeakPolarHBondContact O-CG 3.38Å; I511-L515 PolarHBondContact O-N 2.77Å; Y512-L515 PolarHBondContact O-N 3.22Å; T513-L515 VanDerWaalsContact C-N 3.32Å; T513-L515 PolarHBondContact O-N 3.19Å; L515-L519 VanDerWaalsContact O-CB 3.31Å; L515-L519 WeakPolarHBondContact O-CB 3.14Å; L515-L519 PolarHBondContact O-N 2.98Å; L515-I572 HydrophobicContact CB-CD1 3.97Å; L515-I572 HydrophobicContact CB-CG2 4.41Å
516L97.1Very high94.6Very high52 Ų5247.3 Ų47.327%0.27223%0.233SC..Hα-helixtrans-67.7-37.4175-71.8171.6000112.2Y512 T513 I514 K520 E569 I572 K573Y512-L516 WeakPolarHBondContact O-CG 3.26Å; Y512-L516 PolarHBondContact O-N 3.35Å; T513-L516 PolarHBondContact O-N 3.1Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.35Å; L516-K520 PolarHBondContact O-N 2.92Å; L516-E569 HydrophobicContact CD2-CG 4.16Å; L516-I572 HydrophobicContact CD1-CG2 4.35Å; L516-I572 HydrophobicContact CD2-CB 4.07Å; L516-I572 HydrophobicContact CD2-CG2 3.77Å; L516-I572 HydrophobicContact CG-CG2 3.71Å; L516-K573 HydrophobicContact CD2-CG 4.33Å
517E96.7Very high95.2Very high114 Ų11444.8 Ų44.853%0.53322%0.217SC..Hα-helixtrans-65.9-48.6174.6-73.7174178.400111.3T513 I514 L519 K520 D521T513-E517 WeakPolarHBondContact O-CG 3.23Å; T513-E517 PolarHBondContact O-N 3.17Å; I514-E517 PolarHBondContact O-N 3.04Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 2.95Å; E517-K520 WeakPolarHBondContact O-CB 3.48Å; E517-K520 PolarHBondContact O-N 2.92Å; E517-K520 VanDerWaalsContact O-N 3.11Å; E517-D521 PolarHBondContact O-N 2.83Å
518Q96Very high95.4Very high27 Ų2750.6 Ų50.613%0.12624%0.244CC..Hα-helixtrans-55-44.8174.5-72.9179.9-27.100111.5H163 I514 K520 D521 D522H163-Q518 HydrophobicContact CB-CB 4.07Å; H163-Q518 HydrophobicContact CB-CG 4.01Å; H163-Q518 PolarHBondContact O-NE2 3.48Å; I514-Q518 HydrophobicContact CG2-CG 4.3Å; I514-Q518 WeakPolarHBondContact O-CG 3.43Å; I514-Q518 PolarHBondContact O-N 3.22Å; Q518-K520 VanDerWaalsContact C-N 3.33Å; Q518-K520 PolarHBondContact O-N 3Å; Q518-D521 PolarHBondContact O-N 3.03Å; Q518-D522 WeakPolarHBondContact O-CB 3.07Å; Q518-D522 VanDerWaalsContact O-CG 3.22Å; Q518-D522 PolarHBondContact O-N 3.39Å
519L96.9Very high95.4Very high2 Ų250.6 Ų50.61%0.0124%0.244CC..Hα-helixtrans-63.7-39.1179.5-17065.8000112.3L515 E517 R523 F565 E569 I572L515-L519 VanDerWaalsContact O-CB 3.31Å; L515-L519 WeakPolarHBondContact O-CB 3.14Å; L515-L519 PolarHBondContact O-N 2.98Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 2.95Å; L519-R523 WeakPolarHBondContact O-CB 3.38Å; L519-R523 VanDerWaalsContact O-CG 3.27Å; L519-R523 WeakPolarHBondContact O-CG 3.46Å; L519-R523 PolarHBondContact O-N 3.41Å; L519-F565 HydrophobicContact CD1-CB 3.68Å; L519-F565 HydrophobicContact CD1-CD1 3.35Å; L519-F565 HydrophobicContact CD1-CE1 4.13Å; L519-F565 HydrophobicContact CD1-CG 3.67Å; L519-F565 HydrophobicContact CG-CB 4.33Å; L519-E569 HydrophobicContact CD2-CB 3.51Å; L519-E569 HydrophobicContact CD2-CG 4.04Å; L519-I572 HydrophobicContact CD2-CD1 4.34Å
520K97.6Very high95.5Very high124 Ų12449.2 Ų49.254%0.53924%0.235SC..Hα-helixtrans-63.1-47.3175.9-175-170170.5-157.60110.8L516 E517 Q518 D522 R523 E524L516-K520 PolarHBondContact O-N 2.92Å; E517-K520 WeakPolarHBondContact O-CB 3.48Å; E517-K520 PolarHBondContact O-N 2.92Å; E517-K520 VanDerWaalsContact O-N 3.11Å; Q518-K520 VanDerWaalsContact C-N 3.33Å; Q518-K520 PolarHBondContact O-N 3Å; K520-D522 VanDerWaalsContact C-N 3.33Å; K520-D522 PolarHBondContact O-N 3.2Å; K520-R523 WeakPolarHBondContact O-CB 3.32Å; K520-R523 PolarHBondContact O-N 3.05Å; K520-E524 WeakPolarHBondContact CE-OE1 3.36Å; K520-E524 IonicContact NZ-OE1 2.88Å; K520-E524 WeakPolarHBondContact O-CG 3.34Å; K520-E524 PolarHBondContact O-N 2.94Å
521D96.9Very high95.5Very high63 Ų6350.5 Ų50.534%0.33725%0.249SC..Hα-helixtrans-66.2-37.5-179.5-65.3-18.3000111.7H163 E517 Q518 E524 K525H163-D521 VanDerWaalsContact CE1-CB 3.43Å; H163-D521 WeakPolarHBondContact CE1-CB 3.35Å; H163-D521 VanDerWaalsContact ND1-CB 3.35Å; H163-D521 WeakPolarHBondContact ND1-CB 3.23Å; E517-D521 PolarHBondContact O-N 2.83Å; Q518-D521 PolarHBondContact O-N 3.03Å; D521-E524 PolarHBondContact O-N 2.94Å; D521-K525 WeakPolarHBondContact O-CG 3.4Å; D521-K525 PolarHBondContact O-N 3.44Å
522D97.4Very high95.2Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-65.9-39.6175.6-73.5-17.9000112.3F162 H163 S164 Q518 K520 K525 I526 F565F162-D522 WeakPolarHBondContact CA-OD1 3.47Å; F162-D522 HydrophobicContact CD1-CB 4.18Å; H163-D522 IonicContact CG-OD1 3.92Å; H163-D522 PolarHBondContact N-OD1 3.01Å; H163-D522 PolarHBondContact N-OD2 3.16Å; H163-D522 IonicContact ND1-OD1 3.71Å; H163-D522 PolarHBondContact ND1-OD1 3.33Å; S164-D522 WeakPolarHBondContact CB-OD2 3.08Å; S164-D522 PolarHBondContact N-OD2 2.88Å; S164-D522 PolarHBondContact OG-OD2 2.79Å; Q518-D522 WeakPolarHBondContact O-CB 3.07Å; Q518-D522 VanDerWaalsContact O-CG 3.22Å; Q518-D522 PolarHBondContact O-N 3.39Å; K520-D522 VanDerWaalsContact C-N 3.33Å; K520-D522 PolarHBondContact O-N 3.2Å; D522-K525 PolarHBondContact O-N 3.38Å; D522-I526 WeakPolarHBondContact O-CG1 3.13Å; D522-I526 PolarHBondContact O-N 3.07Å; D522-F565 HydrophobicContact CB-CE1 4.36Å; D522-F565 HydrophobicContact CB-CE2 4.04Å; D522-F565 HydrophobicContact CB-CZ 3.78Å
523R97.7Very high94.7Very high39 Ų3956.6 Ų56.615%0.14729%0.287CS..Hα-helixtrans-60.5-46.5170.9-75.8171.4179.3-8323111.5L519 K520 K525 I526 V527 L562 F565 D566 E569L519-R523 WeakPolarHBondContact O-CB 3.38Å; L519-R523 VanDerWaalsContact O-CG 3.27Å; L519-R523 WeakPolarHBondContact O-CG 3.46Å; L519-R523 PolarHBondContact O-N 3.41Å; K520-R523 WeakPolarHBondContact O-CB 3.32Å; K520-R523 PolarHBondContact O-N 3.05Å; R523-K525 VanDerWaalsContact C-N 3.33Å; R523-K525 PolarHBondContact O-N 2.79Å; R523-I526 PolarHBondContact O-N 3.33Å; R523-V527 WeakPolarHBondContact O-CB 3.43Å; R523-V527 VanDerWaalsContact O-CG2 3.32Å; R523-V527 WeakPolarHBondContact O-CG2 3.11Å; R523-V527 PolarHBondContact O-N 2.66Å; R523-L562 PolarHBondContact NH1-O 3.4Å; R523-F565 HydrophobicContact CB-CD2 4.38Å; R523-F565 HydrophobicContact CG-CB 3.81Å; R523-F565 HydrophobicContact CG-CD2 3.52Å; R523-F565 HydrophobicContact CG-CE2 4.39Å; R523-F565 HydrophobicContact CG-CG 4Å; R523-F565 PolarHBondContact NH2-O 3.49Å; R523-D566 IonicContact CZ-OD1 2.99Å; R523-D566 IonicContact NH1-OD1 3.33Å; R523-D566 PolarHBondContact NH1-OD1 3.21Å; R523-D566 VanDerWaalsContact NH2-N 3.18Å; R523-D566 IonicContact NH2-OD1 2.71Å; R523-D566 PolarHBondContact NH2-OD1 3.23Å; R523-E569 IonicContact CZ-OE2 3.03Å; R523-E569 IonicContact NE-OE2 2.63Å; R523-E569 IonicContact NH2-OE2 3.75Å; R523-E569 PolarHBondContact NH2-OE2 3.05Å
524E96.8Very high94.1Very high112 Ų11257.2 Ų57.252%0.52329%0.291SS..Hα-helixtrans-60.5-43.3179.1-72.9-177.9-169.200111.4K520 D521 V527 H528K520-E524 WeakPolarHBondContact CE-OE1 3.36Å; K520-E524 IonicContact NZ-OE1 2.88Å; K520-E524 WeakPolarHBondContact O-CG 3.34Å; K520-E524 PolarHBondContact O-N 2.94Å; D521-E524 PolarHBondContact O-N 2.94Å; E524-V527 PolarHBondContact O-N 3.37Å; E524-H528 WeakPolarHBondContact O-CB 3.38Å; E524-H528 PolarHBondContact O-N 3.06Å
525K94.2Very high93.4Very high63 Ų6355.7 Ų55.727%0.27428%0.283SS..Hα-helixtrans-58.4-47.5173.7-78.6175.8171.5173.10112.4Y161 H163 D521 D522 R523 H528 L529Y161-K525 WeakPolarHBondContact O-CD 3.42Å; Y161-K525 WeakPolarHBondContact O-CE 3.37Å; Y161-K525 PolarHBondContact O-NZ 3.46Å; H163-K525 WeakPolarHBondContact CE1-CE 3.24Å; H163-K525 PolarHBondContact CE1-NZ 2.96Å; H163-K525 PolarHBondContact ND1-NZ 2.93Å; H163-K525 PolarHBondContact NE2-NZ 3.25Å; D521-K525 WeakPolarHBondContact O-CG 3.4Å; D521-K525 PolarHBondContact O-N 3.44Å; D522-K525 PolarHBondContact O-N 3.38Å; R523-K525 VanDerWaalsContact C-N 3.33Å; R523-K525 PolarHBondContact O-N 2.79Å; K525-H528 PolarHBondContact O-N 3.25Å; K525-L529 WeakPolarHBondContact O-CB 3.45Å; K525-L529 PolarHBondContact O-N 3.18Å
526I95.6Very high92.3Very high0 Ų058.6 Ų58.60%030%0.297CS..Hα-helixtrans-67.7-40.6179.7-70.3-62.6000111.9Y161 F162 D522 R523 H528 L529 M530 F557 C558 F561 L562 F565Y161-I526 HydrophobicContact CE1-CD1 4.09Å; F162-I526 HydrophobicContact CE1-CD1 3.83Å; F162-I526 HydrophobicContact CE1-CG1 3.97Å; F162-I526 HydrophobicContact CZ-CD1 4.1Å; D522-I526 WeakPolarHBondContact O-CG1 3.13Å; D522-I526 PolarHBondContact O-N 3.07Å; R523-I526 PolarHBondContact O-N 3.33Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.84Å; I526-L529 HydrophobicContact CD1-CD2 4.34Å; I526-L529 WeakPolarHBondContact O-CB 3.31Å; I526-L529 PolarHBondContact O-N 3.33Å; I526-M530 WeakPolarHBondContact O-CB 3.41Å; I526-M530 PolarHBondContact O-N 3.26Å; I526-F557 HydrophobicContact CD1-CD1 4.3Å; I526-F557 HydrophobicContact CD1-CE1 3.71Å; I526-C558 HydrophobicContact CG2-CB 3.68Å; I526-F561 HydrophobicContact CD1-CB 4.38Å; I526-F561 HydrophobicContact CG1-CB 4.29Å; I526-L562 HydrophobicContact CB-CD2 4.39Å; I526-L562 HydrophobicContact CG2-CD1 4.24Å; I526-L562 HydrophobicContact CG2-CD2 3.93Å; I526-L562 HydrophobicContact CG2-CG 3.69Å; I526-F565 HydrophobicContact CB-CE2 4.36Å; I526-F565 HydrophobicContact CG1-CE2 3.78Å; I526-F565 HydrophobicContact CG1-CZ 4.36Å
527V96.3Very high90.7Very high60 Ų6060.1 Ų60.136%0.36430%0.303SS..Hα-helixtrans-63.2-41174.9171.60000110.8R523 E524 M530 N531 L562R523-V527 WeakPolarHBondContact O-CB 3.43Å; R523-V527 VanDerWaalsContact O-CG2 3.32Å; R523-V527 WeakPolarHBondContact O-CG2 3.11Å; R523-V527 PolarHBondContact O-N 2.66Å; E524-V527 PolarHBondContact O-N 3.37Å; V527-M530 PolarHBondContact O-N 3.1Å; V527-N531 WeakPolarHBondContact CG1-ND2 3.33Å; V527-N531 WeakPolarHBondContact O-CB 3.26Å; V527-N531 PolarHBondContact O-N 3.25Å; V527-N531 PolarHBondContact O-ND2 2.88Å; V527-L562 HydrophobicContact CG2-CD1 4.42Å; V527-L562 HydrophobicContact CG2-CD2 3.88Å
528H93.8Very high88.7Confident129 Ų12959.2 Ų59.260%0.59730%0.301SS*.Hα-helixtrans-63.3-43.3174.9-179.3-78.7000111.4E524 K525 I526 N531 N532E524-H528 WeakPolarHBondContact O-CB 3.38Å; E524-H528 PolarHBondContact O-N 3.06Å; K525-H528 PolarHBondContact O-N 3.25Å; I526-H528 VanDerWaalsContact C-N 3.32Å; I526-H528 PolarHBondContact O-N 2.84Å; H528-N531 PolarHBondContact O-N 3.05Å; H528-N532 WeakPolarHBondContact O-CB 3.28Å; H528-N532 PolarHBondContact O-N 3.41Å; H528-N532 VanDerWaalsContact O-N 3.07Å
529L93.2Very high86.5Confident3 Ų360.4 Ų60.42%0.01631%0.308CS..Hα-helixtrans-60.1-48.6176.1179.661.8000111.6C148 L149 K525 I526 N531 N532 C535 V554 F557C148-L529 VanDerWaalsContact SG-CD1 3.56Å; L149-L529 HydrophobicContact CD2-CD2 3.83Å; K525-L529 WeakPolarHBondContact O-CB 3.45Å; K525-L529 PolarHBondContact O-N 3.18Å; I526-L529 HydrophobicContact CD1-CD2 4.34Å; I526-L529 WeakPolarHBondContact O-CB 3.31Å; I526-L529 PolarHBondContact O-N 3.33Å; L529-N531 PolarHBondContact O-N 3.3Å; L529-N532 WeakPolarHBondContact O-CB 3.44Å; L529-N532 PolarHBondContact O-N 2.74Å; L529-N532 VanDerWaalsContact O-N 3.11Å; L529-C535 HydrophobicContact CD1-CB 4.28Å; L529-V554 HydrophobicContact CD1-CG1 4.21Å; L529-V554 HydrophobicContact CD2-CG1 4.46Å; L529-V554 HydrophobicContact CG-CG1 3.91Å; L529-F557 HydrophobicContact CD2-CD1 4.35Å; L529-F557 HydrophobicContact CD2-CE1 4.35Å
530M91.9Very high83.9Confident44 Ų4465.2 Ų65.222%0.21734%0.342CS..Hα-helixtrans-59.7-35.2178.1-168.7172.363.500112I526 V527 Q536 C558 L562I526-M530 WeakPolarHBondContact O-CB 3.41Å; I526-M530 PolarHBondContact O-N 3.26Å; V527-M530 PolarHBondContact O-N 3.1Å; M530-Q536 PolarHBondContact O-NE2 3.44Å; M530-C558 HydrophobicContact CB-CB 3.78Å; M530-C558 HydrophobicContact CG-CB 3.98Å; M530-C558 HydrophobicContact SD-CB 4.04Å; M530-L562 HydrophobicContact CE-CD1 3.92Å; M530-L562 HydrophobicContact SD-CD1 4.13Å
531N91.6Very high81.2Confident111 Ų11164 Ų6459%0.59435%0.345SS*.THydrogen-bonded Turntrans-90.1-0.3179.6-68.1-55.5000114.1V527 H528 L529 P533V527-N531 WeakPolarHBondContact CG1-ND2 3.33Å; V527-N531 WeakPolarHBondContact O-CB 3.26Å; V527-N531 PolarHBondContact O-N 3.25Å; V527-N531 PolarHBondContact O-ND2 2.88Å; H528-N531 PolarHBondContact O-N 3.05Å; L529-N531 PolarHBondContact O-N 3.3Å; N531-P533 WeakPolarHBondContact O-CD 3.2Å
532N88.9Confident78.7Confident24 Ų2464.4 Ų64.413%0.12835%0.347CS..  trans-78.5112.2-176.8-175.7-4.8000111.2R152 H528 L529 T534 C535 Q536R152-N532 PolarHBondContact NH2-ND2 3.3Å; H528-N532 WeakPolarHBondContact O-CB 3.28Å; H528-N532 PolarHBondContact O-N 3.41Å; H528-N532 VanDerWaalsContact O-N 3.07Å; L529-N532 WeakPolarHBondContact O-CB 3.44Å; L529-N532 PolarHBondContact O-N 2.74Å; L529-N532 VanDerWaalsContact O-N 3.11Å; N532-T534 PolarHBondContact ND2-OG1 3.02Å; N532-T534 VanDerWaalsContact ND2-OG1 3.13Å; N532-T534 PolarHBondContact O-N 3.16Å; N532-T534 VanDerWaalsContact O-N 3.1Å; N532-T534 PolarHBondContact OD1-N 2.95Å; N532-T534 PolarHBondContact OD1-OG1 3.41Å; N532-C535 HydrophobicContact CB-CB 4.38Å; N532-C535 PolarHBondContact O-N 3.5Å; N532-Q536 WeakPolarHBondContact O-CG 3.32Å; N532-Q536 PolarHBondContact O-N 2.87Å
533P84.3Confident75.5Confident107 Ų10772.2 Ų72.270%0.69539%0.385SS*.G310 helixtrans-60.6-26.3-178.1-20.733.4000113.6N531 C535 Q536N531-P533 WeakPolarHBondContact O-CD 3.2Å; P533-C535 PolarHBondContact O-N 3.4Å; P533-Q536 PolarHBondContact O-N 2.85Å
534T82.3Confident72.6Confident87 Ų8773.1 Ų73.153%0.53440%0.397SS..G310 helixtrans-74.4-13.417874.30000112.9N532 H537N532-T534 PolarHBondContact ND2-OG1 3.02Å; N532-T534 VanDerWaalsContact ND2-OG1 3.13Å; N532-T534 PolarHBondContact O-N 3.16Å; N532-T534 VanDerWaalsContact O-N 3.1Å; N532-T534 PolarHBondContact OD1-N 2.95Å; N532-T534 PolarHBondContact OD1-OG1 3.41Å; T534-H537 PolarHBondContact O-CE1 2.98Å; T534-H537 PolarHBondContact O-NE2 3.33Å
535C80.5Confident69.8Low2 Ų271.6 Ų71.61%0.01440%0.399CS..G310 helixtrans-104.7-2.3176.4-69.50000111.8C148 L529 N532 P533 H537 V554C148-C535 HydrophobicContact CB-CB 3.84Å; C148-C535 WeakPolarHBondContact CB-SG 3.36Å; C148-C535 WeakPolarHBondContact SG-CB 3.39Å; C148-C535 CovalentContact SG-SG 2.05Å; C148-C535 PolarHBondContact SG-SG 3.39Å; L529-C535 HydrophobicContact CD1-CB 4.28Å; N532-C535 HydrophobicContact CB-CB 4.38Å; N532-C535 PolarHBondContact O-N 3.5Å; P533-C535 PolarHBondContact O-N 3.4Å; C535-H537 PolarHBondContact O-N 3.28Å; C535-V554 HydrophobicContact CB-CG1 4.15Å; C535-V554 HydrophobicContact CB-CG2 4.23Å; C535-V554 VanDerWaalsContact O-CG2 3.3Å; C535-V554 WeakPolarHBondContact O-CG2 3.48Å
536Q72.9Confident67.2Low67 Ų6771.4 Ų71.431%0.31341%0.41SS..  trans-82.558.1177.7-67.8-60.9-27.100110.7M530 N532 P533 C552 D555M530-Q536 PolarHBondContact O-NE2 3.44Å; N532-Q536 WeakPolarHBondContact O-CG 3.32Å; N532-Q536 PolarHBondContact O-N 2.87Å; P533-Q536 PolarHBondContact O-N 2.85Å; Q536-C552 PolarHBondContact OE1-SG 2.93Å; Q536-D555 PolarHBondContact NE2-OD1 3.24Å; Q536-D555 PolarHBondContact OE1-OD1 3.28Å
537H63.2Low64.4Low85 Ų8575.5 Ų75.539%0.39444%0.438SS..  trans-89.7108.5173.5-62.2-42.3000108.9T534 C535 L539T534-H537 PolarHBondContact O-CE1 2.98Å; T534-H537 PolarHBondContact O-NE2 3.33Å; C535-H537 PolarHBondContact O-N 3.28Å; H537-L539 PolarHBondContact O-N 3.42Å; H537-L539 VanDerWaalsContact O-N 3.12Å
538N54.4Low61.7Low94 Ų9481.5 Ų81.550%0.50347%0.467SS..  trans-68.8110.4164.3-77-37.9000107.4S540N538-S540 VanDerWaalsContact C-N 3.31Å; N538-S540 PolarHBondContact O-N 2.87Å
539L51Low59.5Low53 Ų5380 Ų8028%0.27747%0.467SS..  trans-63.997.2171.7-149.788.4000107.7H537 T541 L542 L553H537-L539 PolarHBondContact O-N 3.42Å; H537-L539 VanDerWaalsContact O-N 3.12Å; L539-T541 PolarHBondContact O-N 2.92Å; L539-L542 HydrophobicContact CD2-CD1 4.1Å; L539-L553 HydrophobicContact CD2-CD1 4.27Å
540S42.3Very low57.8Low102 Ų10283.3 Ų83.371%0.71349%0.49SS*.THydrogen-bonded Turntrans-68.32.5178.7570000113.2N538N538-S540 VanDerWaalsContact C-N 3.31Å; N538-S540 PolarHBondContact O-N 2.87Å
541T40.5Very low56.8Low98 Ų9884.5 Ų84.560%0.60150%0.497SS*.THydrogen-bonded Turntrans-121.19.4-170.4-2.60000115.1L539 M543L539-T541 PolarHBondContact O-N 2.92Å; T541-M543 PolarHBondContact O-N 3.11Å
542L43.7Very low56.5Low72 Ų7279.6 Ų79.638%0.37747%0.471SS..  trans-80.864.3157.8-132.387.3000108.8V134 L539 S544V134-L542 HydrophobicContact CB-CD2 3.95Å; V134-L542 HydrophobicContact CG1-CD2 3.77Å; V134-L542 HydrophobicContact CG2-CD1 4.49Å; V134-L542 HydrophobicContact CG2-CD2 3.94Å; L539-L542 HydrophobicContact CD2-CD1 4.1Å; L542-S544 PolarHBondContact O-N 2.93Å; L542-S544 VanDerWaalsContact O-N 3.08Å
543M30.4Very low56.6Low165 Ų16578.7 Ų78.781%0.81347%0.467SS*.  trans-71.899.3171.9-81.9-79.8166.200107.9T541T541-M543 PolarHBondContact O-N 3.11Å
544S37.7Very low56.9Low57 Ų5773.6 Ų73.640%0.39943%0.434SS..  trans-139.2153.1147.1860000112.1E133 L542E133-S544 WeakPolarHBondContact OE1-CB 3.43Å; E133-S544 PolarHBondContact OE1-OG 3.43Å; E133-S544 WeakPolarHBondContact OE2-CB 3.35Å; E133-S544 PolarHBondContact OE2-OG 3.12Å; L542-S544 PolarHBondContact O-N 2.93Å; L542-S544 VanDerWaalsContact O-N 3.08Å
545S37.2Very low57.4Low81 Ų8171.4 Ų71.457%0.56642%0.418SS*.SBendtrans-62129.5-155.946.30000116
546A38.8Very low58Low59 Ų5973.3 Ų73.349%0.48843%0.427SS..SBendtrans94.121.414000000121.6
547S37.9Very low59Low85 Ų8570.2 Ų70.259%0.59441%0.413SS*.  trans-152126.8136.157.10000109.6T549S547-T549 PolarHBondContact O-N 3.32Å
548L40.1Very low60.6Low186 Ų18666.2 Ų66.297%0.97439%0.394SS*.  trans-63.480.9166.5-90.5126.3000109
549T47.4Very low62.5Low99 Ų9967 Ų6761%0.60739%0.393SS*.  trans-106.591.9151.943.80000104.2S547 I551S547-T549 PolarHBondContact O-N 3.32Å; T549-I551 PolarHBondContact O-N 3.27Å
550S57.4Low64.7Low71 Ų7166.7 Ų66.750%0.49739%0.39SS..  trans-56.2109.6163.752.50000106.5
551I70.8Confident67.3Low69 Ų6961.9 Ų61.935%0.35436%0.356SS..  trans-83.8116.2172.6-63.1172.8000105.5L136 T549 L553 Q556L136-I551 HydrophobicContact CD1-CD1 4.14Å; T549-I551 PolarHBondContact O-N 3.27Å; I551-L553 PolarHBondContact O-N 2.86Å; I551-Q556 HydrophobicContact CG2-CB 4.13Å
552C85.8Confident70.1Confident9 Ų958.7 Ų58.76%0.06134%0.336CS..  trans-72.4111.3165.9175.40000107Q536 V554 D555 Q556Q536-C552 PolarHBondContact OE1-SG 2.93Å; C552-V554 PolarHBondContact O-N 2.97Å; C552-D555 HydrophobicContact CB-CB 3.83Å; C552-D555 WeakPolarHBondContact O-CB 3.17Å; C552-D555 PolarHBondContact O-N 3.41Å; C552-D555 VanDerWaalsContact O-N 3.15Å; C552-D555 PolarHBondContact SG-N 3.07Å; C552-D555 VanDerWaalsContact SG-N 3.42Å; C552-Q556 PolarHBondContact O-N 3.01Å
553L89.8Confident72.6Confident5 Ų559.3 Ų59.33%0.02633%0.333CS..Hα-helixtrans-61.2-36.1-178.3-68173000111.2L136 L144 D145 L539 I551 Q556 F557L136-L553 HydrophobicContact CD2-CD2 3.98Å; L144-L553 HydrophobicContact CB-CD1 3.49Å; L144-L553 VanDerWaalsContact CB-CD1 3.49Å; D145-L553 HydrophobicContact CB-CB 4.13Å; D145-L553 HydrophobicContact CB-CD1 4.02Å; L539-L553 HydrophobicContact CD2-CD1 4.27Å; I551-L553 PolarHBondContact O-N 2.86Å; L553-Q556 PolarHBondContact O-N 3.39Å; L553-F557 VanDerWaalsContact O-CB 3.27Å; L553-F557 WeakPolarHBondContact O-CB 3.27Å; L553-F557 PolarHBondContact O-N 3.04Å
554V91.9Very high75.9Confident0 Ų051.4 Ų51.40%030%0.295CS..Hα-helixtrans-62.4-46.7173.9179.50000110.9C148 L149 L529 C535 C552 Q556 F557 C558C148-V554 HydrophobicContact CB-CG2 4.47Å; L149-V554 HydrophobicContact CD1-CG2 4.43Å; L149-V554 HydrophobicContact CD2-CG2 4.22Å; L149-V554 HydrophobicContact CG-CG2 4.02Å; L529-V554 HydrophobicContact CD1-CG1 4.21Å; L529-V554 HydrophobicContact CD2-CG1 4.46Å; L529-V554 HydrophobicContact CG-CG1 3.91Å; C535-V554 HydrophobicContact CB-CG1 4.15Å; C535-V554 HydrophobicContact CB-CG2 4.23Å; C535-V554 VanDerWaalsContact O-CG2 3.3Å; C535-V554 WeakPolarHBondContact O-CG2 3.48Å; C552-V554 PolarHBondContact O-N 2.97Å; V554-Q556 VanDerWaalsContact C-N 3.33Å; V554-Q556 PolarHBondContact O-N 3.28Å; V554-F557 PolarHBondContact O-N 3.19Å; V554-C558 WeakPolarHBondContact O-CB 3.12Å; V554-C558 PolarHBondContact O-N 3.15Å; V554-C558 PolarHBondContact O-SG 2.87Å
555D91.8Very high78.8Confident40 Ų4048.7 Ų48.721%0.21428%0.276CS..Hα-helixtrans-62.7-41.6176.9-81.85.9000111.9Q536 C552 C558 K559Q536-D555 PolarHBondContact NE2-OD1 3.24Å; Q536-D555 PolarHBondContact OE1-OD1 3.28Å; C552-D555 HydrophobicContact CB-CB 3.83Å; C552-D555 WeakPolarHBondContact O-CB 3.17Å; C552-D555 PolarHBondContact O-N 3.41Å; C552-D555 VanDerWaalsContact O-N 3.15Å; C552-D555 PolarHBondContact SG-N 3.07Å; C552-D555 VanDerWaalsContact SG-N 3.42Å; D555-C558 PolarHBondContact O-N 3.33Å; D555-K559 WeakPolarHBondContact O-CB 3.45Å; D555-K559 WeakPolarHBondContact O-CD 3.37Å; D555-K559 WeakPolarHBondContact O-CG 3.41Å; D555-K559 PolarHBondContact O-N 3.06Å
556Q92.1Very high81.6Confident42 Ų4248.1 Ų48.120%0.19627%0.266CS..Hα-helixtrans-62.7-51.1178.2-178.457.528.100110.4L136 I551 C552 L553 V554 C558 K559 E560L136-Q556 HydrophobicContact CB-CG 4.07Å; L136-Q556 HydrophobicContact CD1-CG 4.23Å; I551-Q556 HydrophobicContact CG2-CB 4.13Å; C552-Q556 PolarHBondContact O-N 3.01Å; L553-Q556 PolarHBondContact O-N 3.39Å; V554-Q556 VanDerWaalsContact C-N 3.33Å; V554-Q556 PolarHBondContact O-N 3.28Å; Q556-C558 VanDerWaalsContact C-N 3.32Å; Q556-C558 PolarHBondContact O-N 3.14Å; Q556-K559 PolarHBondContact O-N 3.3Å; Q556-E560 PolarHBondContact NE2-OE1 2.88Å; Q556-E560 WeakPolarHBondContact O-CG 3.49Å; Q556-E560 PolarHBondContact O-N 3.43Å; Q556-E560 VanDerWaalsContact O-N 3.09Å
557F94.8Very high84.4Confident3 Ų346.4 Ų46.41%0.01325%0.248CC..Hα-helixtrans-53.5-48.7174.7178.5-89.6000111.9P138 C141 I142 L149 I153 F162 I526 L529 L553 V554 F561P138-F557 HydrophobicContact CB-CD2 4.31Å; P138-F557 HydrophobicContact CB-CE2 4.05Å; C141-F557 HydrophobicContact CB-CB 4.06Å; C141-F557 HydrophobicContact CB-CD2 4.17Å; I142-F557 HydrophobicContact CD1-CE2 3.79Å; I142-F557 HydrophobicContact CD1-CZ 4.48Å; I142-F557 HydrophobicContact CG1-CD2 4.18Å; I142-F557 HydrophobicContact CG1-CE2 3.74Å; L149-F557 HydrophobicContact CD1-CB 3.85Å; L149-F557 HydrophobicContact CD1-CD2 4.15Å; L149-F557 HydrophobicContact CD1-CG 3.95Å; L149-F557 HydrophobicContact CD2-CB 4.47Å; L149-F557 HydrophobicContact CD2-CD1 3.84Å; L149-F557 HydrophobicContact CD2-CE1 4.21Å; L149-F557 HydrophobicContact CD2-CG 4.07Å; I153-F557 HydrophobicContact CD1-CE1 3.97Å; I153-F557 HydrophobicContact CD1-CE2 3.92Å; I153-F557 HydrophobicContact CD1-CZ 3.4Å; F162-F557 HydrophobicContact CE2-CZ 4.48Å; F162-F557 HydrophobicContact CZ-CE1 4.34Å; F162-F557 HydrophobicContact CZ-CZ 4.03Å; I526-F557 HydrophobicContact CD1-CD1 4.3Å; I526-F557 HydrophobicContact CD1-CE1 3.71Å; L529-F557 HydrophobicContact CD2-CD1 4.35Å; L529-F557 HydrophobicContact CD2-CE1 4.35Å; L553-F557 VanDerWaalsContact O-CB 3.27Å; L553-F557 WeakPolarHBondContact O-CB 3.27Å; L553-F557 PolarHBondContact O-N 3.04Å; V554-F557 PolarHBondContact O-N 3.19Å; F557-F561 HydrophobicContact CD1-CD2 4.1Å; F557-F561 HydrophobicContact CD2-CD2 4.13Å; F557-F561 AromaticContact CD2-CE2 4Å; F557-F561 HydrophobicContact CD2-CE2 4Å; F557-F561 AromaticContact CE1-CD2 3.72Å; F557-F561 HydrophobicContact CE1-CD2 3.72Å; F557-F561 HydrophobicContact CE1-CE2 4.01Å; F557-F561 AromaticContact CE2-CD2 3.78Å; F557-F561 HydrophobicContact CE2-CD2 3.78Å; F557-F561 AromaticContact CE2-CE2 3.33Å; F557-F561 HydrophobicContact CE2-CE2 3.33Å; F557-F561 HydrophobicContact CE2-CZ 4.42Å; F557-F561 HydrophobicContact CG-CD2 4.28Å; F557-F561 AromaticContact CZ-CD2 3.54Å; F557-F561 HydrophobicContact CZ-CD2 3.54Å; F557-F561 AromaticContact CZ-CE2 3.32Å; F557-F561 HydrophobicContact CZ-CE2 3.32Å; F557-F561 HydrophobicContact CZ-CZ 4.3Å; F557-F561 WeakPolarHBondContact O-CD2 3.47Å; F557-F561 PolarHBondContact O-N 2.78Å; F557-F561 VanDerWaalsContact O-N 3.12Å
558C96Very high87.2Confident0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-65.1-42.5-178.7-67.60000112.2I526 M530 V554 D555 Q556 F561 L562I526-C558 HydrophobicContact CG2-CB 3.68Å; M530-C558 HydrophobicContact CB-CB 3.78Å; M530-C558 HydrophobicContact CG-CB 3.98Å; M530-C558 HydrophobicContact SD-CB 4.04Å; V554-C558 WeakPolarHBondContact O-CB 3.12Å; V554-C558 PolarHBondContact O-N 3.15Å; V554-C558 PolarHBondContact O-SG 2.87Å; D555-C558 PolarHBondContact O-N 3.33Å; Q556-C558 VanDerWaalsContact C-N 3.32Å; Q556-C558 PolarHBondContact O-N 3.14Å; C558-F561 PolarHBondContact O-N 3.2Å; C558-L562 WeakPolarHBondContact O-CB 2.81Å; C558-L562 VanDerWaalsContact O-CG 3.22Å; C558-L562 WeakPolarHBondContact O-CG 3.26Å; C558-L562 PolarHBondContact O-N 3.2Å
559K95.5Very high89.9Confident110 Ų11036.3 Ų36.348%0.47819%0.186SC..Hα-helixtrans-63.1-44.6179.6-76.7167.4-173.31620112.2D555 Q556 L562 Y563D555-K559 WeakPolarHBondContact O-CB 3.45Å; D555-K559 WeakPolarHBondContact O-CD 3.37Å; D555-K559 WeakPolarHBondContact O-CG 3.41Å; D555-K559 PolarHBondContact O-N 3.06Å; Q556-K559 PolarHBondContact O-N 3.3Å; K559-L562 PolarHBondContact O-N 2.93Å; K559-Y563 PolarHBondContact O-N 3.04Å
560E96.1Very high92.2Very high48 Ų4834.5 Ų34.522%0.22418%0.177CC..Hα-helixtrans-63.8-45178.2-63.6-57.3149.400111L325 I331 Q556 L562 Y563 Y564L325-E560 HydrophobicContact CD1-CB 3.93Å; I331-E560 WeakPolarHBondContact CD1-O 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 2.88Å; Q556-E560 WeakPolarHBondContact O-CG 3.49Å; Q556-E560 PolarHBondContact O-N 3.43Å; Q556-E560 VanDerWaalsContact O-N 3.09Å; E560-L562 PolarHBondContact O-N 3.07Å; E560-Y563 PolarHBondContact O-N 3.38Å; E560-Y564 WeakPolarHBondContact O-CB 3.27Å; E560-Y564 PolarHBondContact O-N 2.88Å
561F98.1Very high94Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-65.3-39.3176.5-91.4-73.4000113.4P138 F162 I167 L171 L325 I526 F557 C558 Y563 Y564 F565P138-F561 HydrophobicContact CB-CE2 3.85Å; P138-F561 HydrophobicContact CB-CZ 4.27Å; P138-F561 HydrophobicContact CG-CE2 3.86Å; P138-F561 HydrophobicContact CG-CZ 4.2Å; F162-F561 HydrophobicContact CE1-CD1 4.19Å; F162-F561 HydrophobicContact CE1-CE1 4.33Å; F162-F561 HydrophobicContact CE2-CE1 4.4Å; F162-F561 HydrophobicContact CE2-CZ 4.24Å; F162-F561 HydrophobicContact CZ-CD1 4.08Å; F162-F561 HydrophobicContact CZ-CD2 4.3Å; F162-F561 AromaticContact CZ-CE1 3.9Å; F162-F561 HydrophobicContact CZ-CE1 3.9Å; F162-F561 HydrophobicContact CZ-CE2 4.12Å; F162-F561 HydrophobicContact CZ-CG 4.28Å; F162-F561 AromaticContact CZ-CZ 3.92Å; F162-F561 HydrophobicContact CZ-CZ 3.92Å; I167-F561 HydrophobicContact CG2-CE1 3.74Å; I167-F561 HydrophobicContact CG2-CZ 4.14Å; L171-F561 HydrophobicContact CD1-CZ 4.3Å; L325-F561 HydrophobicContact CD2-CD1 4.39Å; L325-F561 HydrophobicContact CD2-CE1 4.19Å; L325-F561 HydrophobicContact CD2-CZ 4.34Å; I526-F561 HydrophobicContact CD1-CB 4.38Å; I526-F561 HydrophobicContact CG1-CB 4.29Å; F557-F561 HydrophobicContact CD1-CD2 4.1Å; F557-F561 HydrophobicContact CD2-CD2 4.13Å; F557-F561 AromaticContact CD2-CE2 4Å; F557-F561 HydrophobicContact CD2-CE2 4Å; F557-F561 AromaticContact CE1-CD2 3.72Å; F557-F561 HydrophobicContact CE1-CD2 3.72Å; F557-F561 HydrophobicContact CE1-CE2 4.01Å; F557-F561 AromaticContact CE2-CD2 3.78Å; F557-F561 HydrophobicContact CE2-CD2 3.78Å; F557-F561 AromaticContact CE2-CE2 3.33Å; F557-F561 HydrophobicContact CE2-CE2 3.33Å; F557-F561 HydrophobicContact CE2-CZ 4.42Å; F557-F561 HydrophobicContact CG-CD2 4.28Å; F557-F561 AromaticContact CZ-CD2 3.54Å; F557-F561 HydrophobicContact CZ-CD2 3.54Å; F557-F561 AromaticContact CZ-CE2 3.32Å; F557-F561 HydrophobicContact CZ-CE2 3.32Å; F557-F561 HydrophobicContact CZ-CZ 4.3Å; F557-F561 WeakPolarHBondContact O-CD2 3.47Å; F557-F561 PolarHBondContact O-N 2.78Å; F557-F561 VanDerWaalsContact O-N 3.12Å; C558-F561 PolarHBondContact O-N 3.2Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 3.12Å; F561-Y564 HydrophobicContact CD1-CD1 4.09Å; F561-Y564 HydrophobicContact CE1-CD1 4.43Å; F561-Y564 WeakPolarHBondContact O-CB 3.48Å; F561-Y564 PolarHBondContact O-N 3.26Å; F561-F565 HydrophobicContact CB-CE2 4.17Å; F561-F565 HydrophobicContact CB-CZ 4.25Å; F561-F565 AromaticContact CD1-CE1 3.95Å; F561-F565 HydrophobicContact CD1-CE1 3.95Å; F561-F565 AromaticContact CD1-CZ 3.81Å; F561-F565 HydrophobicContact CD1-CZ 3.81Å; F561-F565 HydrophobicContact CG-CZ 4.42Å; F561-F565 WeakPolarHBondContact O-CB 3.44Å; F561-F565 WeakPolarHBondContact O-CD2 3.29Å; F561-F565 WeakPolarHBondContact O-CG 3.37Å; F561-F565 PolarHBondContact O-N 3.3Å
562L98.2Very high95.2Very high32 Ų3227.9 Ų27.917%0.16814%0.137CC..Hα-helixtrans-61.9-43.1175.7-73.1171000111.6R523 I526 V527 M530 C558 K559 E560 F565 D566R523-L562 PolarHBondContact NH1-O 3.4Å; I526-L562 HydrophobicContact CB-CD2 4.39Å; I526-L562 HydrophobicContact CG2-CD1 4.24Å; I526-L562 HydrophobicContact CG2-CD2 3.93Å; I526-L562 HydrophobicContact CG2-CG 3.69Å; V527-L562 HydrophobicContact CG2-CD1 4.42Å; V527-L562 HydrophobicContact CG2-CD2 3.88Å; M530-L562 HydrophobicContact CE-CD1 3.92Å; M530-L562 HydrophobicContact SD-CD1 4.13Å; C558-L562 WeakPolarHBondContact O-CB 2.81Å; C558-L562 VanDerWaalsContact O-CG 3.22Å; C558-L562 WeakPolarHBondContact O-CG 3.26Å; C558-L562 PolarHBondContact O-N 3.2Å; K559-L562 PolarHBondContact O-N 2.93Å; E560-L562 PolarHBondContact O-N 3.07Å; L562-F565 PolarHBondContact O-N 3.04Å; L562-D566 PolarHBondContact O-N 2.99Å
563Y97.7Very high95.5Very high84 Ų8432.2 Ų32.233%0.32916%0.155SC..Hα-helixtrans-66.6-40.3176.6-177.8-116.9000111.9I331 K559 E560 F561 F565 D566 Q567I331-Y563 HydrophobicContact CB-CD1 3.81Å; I331-Y563 HydrophobicContact CB-CE1 3.77Å; I331-Y563 HydrophobicContact CD1-CD1 3.73Å; I331-Y563 HydrophobicContact CG1-CD1 4.42Å; I331-Y563 HydrophobicContact CG2-CD1 3.86Å; I331-Y563 HydrophobicContact CG2-CE1 3.69Å; K559-Y563 PolarHBondContact O-N 3.04Å; E560-Y563 PolarHBondContact O-N 3.38Å; F561-Y563 VanDerWaalsContact C-N 3.33Å; F561-Y563 PolarHBondContact O-N 3.12Å; Y563-F565 VanDerWaalsContact C-N 3.32Å; Y563-F565 PolarHBondContact O-N 3.43Å; Y563-D566 WeakPolarHBondContact O-CB 3.05Å; Y563-D566 PolarHBondContact O-N 3.06Å; Y563-Q567 HydrophobicContact CE1-CG 4.35Å; Y563-Q567 WeakPolarHBondContact O-CG 2.99Å; Y563-Q567 PolarHBondContact O-N 3.36Å; Y563-Q567 VanDerWaalsContact O-N 3.17Å
564Y98.1Very high95.7Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-58.9-43.8173167.9-109.1000111.7I167 N321 L322 L325 E560 F561 D566 Q567 R568I167-Y564 HydrophobicContact CD1-CE1 3.78Å; I167-Y564 HydrophobicContact CG1-CE1 4.35Å; N321-Y564 HydrophobicContact CB-CD2 4Å; N321-Y564 HydrophobicContact CB-CE2 3.97Å; L322-Y564 HydrophobicContact CB-CE2 4.14Å; L322-Y564 WeakPolarHBondContact CB-OH 3.45Å; L322-Y564 HydrophobicContact CD1-CE1 4.44Å; L325-Y564 HydrophobicContact CD2-CD1 4.45Å; L325-Y564 HydrophobicContact CD2-CD2 4.39Å; L325-Y564 HydrophobicContact CD2-CG 4.01Å; E560-Y564 WeakPolarHBondContact O-CB 3.27Å; E560-Y564 PolarHBondContact O-N 2.88Å; F561-Y564 HydrophobicContact CD1-CD1 4.09Å; F561-Y564 HydrophobicContact CE1-CD1 4.43Å; F561-Y564 WeakPolarHBondContact O-CB 3.48Å; F561-Y564 PolarHBondContact O-N 3.26Å; Y564-D566 VanDerWaalsContact C-N 3.3Å; Y564-D566 PolarHBondContact O-N 3.06Å; Y564-Q567 PolarHBondContact O-N 3.24Å; Y564-Q567 VanDerWaalsContact O-N 3.16Å; Y564-R568 WeakPolarHBondContact O-CB 3.32Å; Y564-R568 PolarHBondContact O-N 3.36Å; Y564-R568 WeakPolarHBondContact OH-CD 3.29Å; Y564-R568 PolarHBondContact OH-NH1 2.83Å
565F98.4Very high95.6Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-63.1-35.4176.6-61.7-28.9000112.3F162 I167 L519 D522 R523 I526 F561 L562 Y563 R568 E569F162-F565 HydrophobicContact CD1-CZ 4.07Å; F162-F565 AromaticContact CE1-CZ 3.85Å; F162-F565 HydrophobicContact CE1-CZ 3.85Å; I167-F565 HydrophobicContact CD1-CE1 3.71Å; I167-F565 HydrophobicContact CD1-CZ 4.43Å; L519-F565 HydrophobicContact CD1-CB 3.68Å; L519-F565 HydrophobicContact CD1-CD1 3.35Å; L519-F565 HydrophobicContact CD1-CE1 4.13Å; L519-F565 HydrophobicContact CD1-CG 3.67Å; L519-F565 HydrophobicContact CG-CB 4.33Å; D522-F565 HydrophobicContact CB-CE1 4.36Å; D522-F565 HydrophobicContact CB-CE2 4.04Å; D522-F565 HydrophobicContact CB-CZ 3.78Å; R523-F565 HydrophobicContact CB-CD2 4.38Å; R523-F565 HydrophobicContact CG-CB 3.81Å; R523-F565 HydrophobicContact CG-CD2 3.52Å; R523-F565 HydrophobicContact CG-CE2 4.39Å; R523-F565 HydrophobicContact CG-CG 4Å; R523-F565 PolarHBondContact NH2-O 3.49Å; I526-F565 HydrophobicContact CB-CE2 4.36Å; I526-F565 HydrophobicContact CG1-CE2 3.78Å; I526-F565 HydrophobicContact CG1-CZ 4.36Å; F561-F565 HydrophobicContact CB-CE2 4.17Å; F561-F565 HydrophobicContact CB-CZ 4.25Å; F561-F565 AromaticContact CD1-CE1 3.95Å; F561-F565 HydrophobicContact CD1-CE1 3.95Å; F561-F565 AromaticContact CD1-CZ 3.81Å; F561-F565 HydrophobicContact CD1-CZ 3.81Å; F561-F565 HydrophobicContact CG-CZ 4.42Å; F561-F565 WeakPolarHBondContact O-CB 3.44Å; F561-F565 WeakPolarHBondContact O-CD2 3.29Å; F561-F565 WeakPolarHBondContact O-CG 3.37Å; F561-F565 PolarHBondContact O-N 3.3Å; L562-F565 PolarHBondContact O-N 3.04Å; Y563-F565 VanDerWaalsContact C-N 3.32Å; Y563-F565 PolarHBondContact O-N 3.43Å; F565-R568 PolarHBondContact O-N 2.9Å; F565-E569 WeakPolarHBondContact O-CB 3.24Å; F565-E569 PolarHBondContact O-N 3.19Å
566D97.7Very high95Very high69 Ų6933.7 Ų33.737%0.36917%0.166SC..Hα-helixtrans-60.7-43.5172.7-66.5-25.3000112.3R523 L562 Y563 Y564 C570R523-D566 IonicContact CZ-OD1 2.99Å; R523-D566 IonicContact NH1-OD1 3.33Å; R523-D566 PolarHBondContact NH1-OD1 3.21Å; R523-D566 VanDerWaalsContact NH2-N 3.18Å; R523-D566 IonicContact NH2-OD1 2.71Å; R523-D566 PolarHBondContact NH2-OD1 3.23Å; L562-D566 PolarHBondContact O-N 2.99Å; Y563-D566 WeakPolarHBondContact O-CB 3.05Å; Y563-D566 PolarHBondContact O-N 3.06Å; Y564-D566 VanDerWaalsContact C-N 3.3Å; Y564-D566 PolarHBondContact O-N 3.06Å; D566-C570 PolarHBondContact O-N 3.13Å; D566-C570 PolarHBondContact O-SG 3.11Å
567Q97.2Very high93.8Very high23 Ų2337.6 Ų37.611%0.10719%0.193CC..Hα-helixtrans-70.2-43179-54.8-39-59.400111.4I331 F334 Y563 Y564 E569 C570 F571I331-Q567 HydrophobicContact CG2-CB 4.36Å; I331-Q567 HydrophobicContact CG2-CG 3.7Å; F334-Q567 HydrophobicContact CB-CB 4.29Å; Y563-Q567 HydrophobicContact CE1-CG 4.35Å; Y563-Q567 WeakPolarHBondContact O-CG 2.99Å; Y563-Q567 PolarHBondContact O-N 3.36Å; Y563-Q567 VanDerWaalsContact O-N 3.17Å; Y564-Q567 PolarHBondContact O-N 3.24Å; Y564-Q567 VanDerWaalsContact O-N 3.16Å; Q567-E569 VanDerWaalsContact C-N 3.34Å; Q567-E569 PolarHBondContact O-N 2.83Å; Q567-C570 WeakPolarHBondContact O-CB 3.41Å; Q567-C570 PolarHBondContact O-N 2.81Å; Q567-F571 PolarHBondContact O-N 3.24Å
568R97Very high92Very high2 Ų241.2 Ų41.21%0.00822%0.218CC..Hα-helixtrans-65.2-36178.7-173.3164174136-11.1112.5D166 I343 Y564 F565 F571 I572D166-R568 IonicContact OD1-CZ 3.59Å; D166-R568 IonicContact OD1-NH1 2.71Å; D166-R568 IonicContact OD1-NH2 2.69Å; D166-R568 PolarHBondContact OD1-NH2 2.92Å; D166-R568 IonicContact OD2-CZ 2.76Å; D166-R568 VanDerWaalsContact OD2-CZ 3.23Å; D166-R568 IonicContact OD2-NH1 3.14Å; D166-R568 PolarHBondContact OD2-NH1 2.55Å; D166-R568 IonicContact OD2-NH2 3.98Å; D166-R568 PolarHBondContact OD2-NH2 3.48Å; I343-R568 HydrophobicContact CD1-CG 4.35Å; Y564-R568 WeakPolarHBondContact O-CB 3.32Å; Y564-R568 PolarHBondContact O-N 3.36Å; Y564-R568 WeakPolarHBondContact OH-CD 3.29Å; Y564-R568 PolarHBondContact OH-NH1 2.83Å; F565-R568 PolarHBondContact O-N 2.9Å; R568-F571 WeakPolarHBondContact O-CB 3.36Å; R568-F571 PolarHBondContact O-N 2.86Å; R568-I572 HydrophobicContact CG-CD1 3.95Å; R568-I572 HydrophobicContact CG-CG1 4.48Å; R568-I572 VanDerWaalsContact O-CG1 3.31Å; R568-I572 WeakPolarHBondContact O-CG1 2.9Å; R568-I572 PolarHBondContact O-N 3.11Å
569E97Very high91.8Very high56 Ų5643.3 Ų43.326%0.26223%0.229SC..Hα-helixtrans-63.6-44.8174.4-167.5175.9165.600111.6L516 L519 R523 F565 Q567 F571 I572 K573L516-E569 HydrophobicContact CD2-CG 4.16Å; L519-E569 HydrophobicContact CD2-CB 3.51Å; L519-E569 HydrophobicContact CD2-CG 4.04Å; R523-E569 IonicContact CZ-OE2 3.03Å; R523-E569 IonicContact NE-OE2 2.63Å; R523-E569 IonicContact NH2-OE2 3.75Å; R523-E569 PolarHBondContact NH2-OE2 3.05Å; F565-E569 WeakPolarHBondContact O-CB 3.24Å; F565-E569 PolarHBondContact O-N 3.19Å; Q567-E569 VanDerWaalsContact C-N 3.34Å; Q567-E569 PolarHBondContact O-N 2.83Å; E569-F571 VanDerWaalsContact C-N 3.28Å; E569-F571 PolarHBondContact O-N 2.91Å; E569-I572 PolarHBondContact O-N 2.95Å; E569-K573 HydrophobicContact CG-CD 4.24Å; E569-K573 WeakPolarHBondContact O-CB 3.2Å; E569-K573 WeakPolarHBondContact O-CG 3.2Å; E569-K573 PolarHBondContact O-N 2.94Å; E569-K573 VanDerWaalsContact OE1-CE 3.22Å; E569-K573 WeakPolarHBondContact OE1-CE 3.01Å; E569-K573 IonicContact OE1-NZ 2.62Å; E569-K573 PolarHBondContact OE1-NZ 3.36Å
570C95.8Very high91.6Very high61 Ų6139.8 Ų39.841%0.41222%0.216SC..Hα-helixtrans-59.7-42.1175.7-65.70000111.3F334 D566 Q567 S574F334-C570 HydrophobicContact CB-CB 4.19Å; F334-C570 HydrophobicContact CD1-CB 3.45Å; F334-C570 VanDerWaalsContact CD1-CB 3.45Å; F334-C570 HydrophobicContact CE1-CB 4.09Å; F334-C570 HydrophobicContact CG-CB 3.98Å; D566-C570 PolarHBondContact O-N 3.13Å; D566-C570 PolarHBondContact O-SG 3.11Å; Q567-C570 WeakPolarHBondContact O-CB 3.41Å; Q567-C570 PolarHBondContact O-N 2.81Å; C570-S574 PolarHBondContact O-N 3.14Å; C570-S574 VanDerWaalsContact O-N 3.08Å; C570-S574 PolarHBondContact O-OG 3.08Å
571F95.2Very high91.4Very high0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-61.3-53.1175.5172.4-117.8000112.5F334 E341 I343 L449 Q567 R568 E569 K573 S574 L575F334-F571 HydrophobicContact CD2-CB 3.89Å; F334-F571 HydrophobicContact CD2-CD2 4.48Å; F334-F571 HydrophobicContact CE2-CB 3.73Å; F334-F571 AromaticContact CE2-CD2 3.68Å; F334-F571 HydrophobicContact CE2-CD2 3.68Å; F334-F571 HydrophobicContact CE2-CG 4.19Å; F334-F571 HydrophobicContact CZ-CB 4.28Å; F334-F571 HydrophobicContact CZ-CD2 4.29Å; E341-F571 HydrophobicContact CB-CB 4.49Å; E341-F571 HydrophobicContact CB-CD1 4.25Å; E341-F571 HydrophobicContact CB-CD2 3.76Å; E341-F571 HydrophobicContact CB-CE1 4.43Å; E341-F571 HydrophobicContact CB-CE2 3.92Å; E341-F571 HydrophobicContact CB-CG 3.91Å; E341-F571 HydrophobicContact CB-CZ 4.26Å; E341-F571 HydrophobicContact CG-CB 3.9Å; E341-F571 HydrophobicContact CG-CD1 3.49Å; E341-F571 VanDerWaalsContact CG-CD1 3.49Å; E341-F571 HydrophobicContact CG-CD2 3.87Å; E341-F571 HydrophobicContact CG-CE1 3.91Å; E341-F571 HydrophobicContact CG-CE2 4.23Å; E341-F571 HydrophobicContact CG-CG 3.46Å; E341-F571 VanDerWaalsContact CG-CG 3.46Å; E341-F571 HydrophobicContact CG-CZ 4.25Å; E341-F571 WeakPolarHBondContact O-CE2 3.31Å; E341-F571 VanDerWaalsContact O-CZ 3.31Å; E341-F571 WeakPolarHBondContact O-CZ 3.47Å; I343-F571 HydrophobicContact CB-CE1 4.41Å; I343-F571 HydrophobicContact CD1-CD1 3.77Å; I343-F571 HydrophobicContact CD1-CE1 3.7Å; I343-F571 HydrophobicContact CG1-CD1 4.09Å; I343-F571 HydrophobicContact CG1-CE1 3.72Å; L449-F571 HydrophobicContact CB-CE2 4.14Å; L449-F571 HydrophobicContact CD1-CD2 3.6Å; L449-F571 HydrophobicContact CD1-CE2 3.76Å; L449-F571 HydrophobicContact CG-CD2 4.05Å; L449-F571 HydrophobicContact CG-CE2 3.68Å; Q567-F571 PolarHBondContact O-N 3.24Å; R568-F571 WeakPolarHBondContact O-CB 3.36Å; R568-F571 PolarHBondContact O-N 2.86Å; E569-F571 VanDerWaalsContact C-N 3.28Å; E569-F571 PolarHBondContact O-N 2.91Å; F571-K573 VanDerWaalsContact C-N 3.29Å; F571-K573 PolarHBondContact O-N 2.98Å; F571-S574 WeakPolarHBondContact O-CB 3.4Å; F571-S574 PolarHBondContact O-N 2.97Å; F571-L575 HydrophobicContact CD1-CD1 4.45Å; F571-L575 HydrophobicContact CE1-CD1 3.86Å; F571-L575 HydrophobicContact CE2-CD1 4.35Å; F571-L575 HydrophobicContact CE2-CD2 4.25Å; F571-L575 HydrophobicContact CE2-CG 4.27Å; F571-L575 HydrophobicContact CZ-CD1 3.82Å; F571-L575 HydrophobicContact CZ-CD2 4.27Å; F571-L575 HydrophobicContact CZ-CG 4.22Å; F571-L575 PolarHBondContact O-N 3.09Å
572I94.7Very high91Very high1 Ų141.6 Ų41.61%0.00523%0.229CC..Hα-helixtrans-60.2-40.5-179.1-64.2160.6000111I343 L515 L516 L519 R568 E569 S574 L575 T576I343-I572 HydrophobicContact CD1-CD1 3.87Å; I343-I572 HydrophobicContact CD1-CG1 3.47Å; I343-I572 VanDerWaalsContact CD1-CG1 3.47Å; L515-I572 HydrophobicContact CB-CD1 3.97Å; L515-I572 HydrophobicContact CB-CG2 4.41Å; L516-I572 HydrophobicContact CD1-CG2 4.35Å; L516-I572 HydrophobicContact CD2-CB 4.07Å; L516-I572 HydrophobicContact CD2-CG2 3.77Å; L516-I572 HydrophobicContact CG-CG2 3.71Å; L519-I572 HydrophobicContact CD2-CD1 4.34Å; R568-I572 HydrophobicContact CG-CD1 3.95Å; R568-I572 HydrophobicContact CG-CG1 4.48Å; R568-I572 VanDerWaalsContact O-CG1 3.31Å; R568-I572 WeakPolarHBondContact O-CG1 2.9Å; R568-I572 PolarHBondContact O-N 3.11Å; E569-I572 PolarHBondContact O-N 2.95Å; I572-S574 VanDerWaalsContact C-N 3.26Å; I572-S574 PolarHBondContact O-N 2.9Å; I572-L575 WeakPolarHBondContact O-CB 3.36Å; I572-L575 PolarHBondContact O-N 3.14Å; I572-T576 PolarHBondContact O-N 3.32Å
573K93.6Very high90.5Very high100 Ų10042.3 Ų42.344%0.43523%0.232SC..Hα-helixtrans-66.1-26.5175.7-73.7177.4-177.6169.40113.5L516 E569 F571 T576 V577L516-K573 HydrophobicContact CD2-CG 4.33Å; E569-K573 HydrophobicContact CG-CD 4.24Å; E569-K573 WeakPolarHBondContact O-CB 3.2Å; E569-K573 WeakPolarHBondContact O-CG 3.2Å; E569-K573 PolarHBondContact O-N 2.94Å; E569-K573 VanDerWaalsContact OE1-CE 3.22Å; E569-K573 WeakPolarHBondContact OE1-CE 3.01Å; E569-K573 IonicContact OE1-NZ 2.62Å; E569-K573 PolarHBondContact OE1-NZ 3.36Å; F571-K573 VanDerWaalsContact C-N 3.29Å; F571-K573 PolarHBondContact O-N 2.98Å; K573-T576 PolarHBondContact O-OG1 2.92Å; K573-V577 WeakPolarHBondContact O-CG2 3.36Å
574S92.1Very high90Very high16 Ų1639.5 Ų39.511%0.11223%0.226CC..Hα-helixtrans-75.6-31.4176.3-56.20000111.1F334 C570 F571 I572 T576 V577F334-S574 VanDerWaalsContact CE1-OG 3.3Å; F334-S574 WeakPolarHBondContact CE1-OG 3.34Å; F334-S574 WeakPolarHBondContact CZ-OG 3.33Å; C570-S574 PolarHBondContact O-N 3.14Å; C570-S574 VanDerWaalsContact O-N 3.08Å; C570-S574 PolarHBondContact O-OG 3.08Å; F571-S574 WeakPolarHBondContact O-CB 3.4Å; F571-S574 PolarHBondContact O-N 2.97Å; I572-S574 VanDerWaalsContact C-N 3.26Å; I572-S574 PolarHBondContact O-N 2.9Å; S574-T576 VanDerWaalsContact C-N 3.28Å; S574-T576 PolarHBondContact O-N 2.99Å; S574-V577 PolarHBondContact O-N 3.44Å
575L89.6Confident89.5Confident0 Ų042.3 Ų42.30%024%0.242CC..Hα-helixtrans-66.4-24.6173.2-64.8173000113.8L447 S448 L449 Y512 F571 I572 S578L447-L575 HydrophobicContact CB-CD1 3.99Å; L447-L575 HydrophobicContact CD1-CD1 4.43Å; S448-L575 WeakPolarHBondContact O-CD2 3.35Å; L449-L575 HydrophobicContact CD2-CD2 3.85Å; L449-L575 HydrophobicContact CG-CD2 3.87Å; Y512-L575 HydrophobicContact CE1-CB 4.06Å; Y512-L575 HydrophobicContact CE1-CD1 4.18Å; Y512-L575 HydrophobicContact CE2-CB 4.37Å; Y512-L575 WeakPolarHBondContact CE2-O 3.33Å; F571-L575 HydrophobicContact CD1-CD1 4.45Å; F571-L575 HydrophobicContact CE1-CD1 3.86Å; F571-L575 HydrophobicContact CE2-CD1 4.35Å; F571-L575 HydrophobicContact CE2-CD2 4.25Å; F571-L575 HydrophobicContact CE2-CG 4.27Å; F571-L575 HydrophobicContact CZ-CD1 3.82Å; F571-L575 HydrophobicContact CZ-CD2 4.27Å; F571-L575 HydrophobicContact CZ-CG 4.22Å; F571-L575 PolarHBondContact O-N 3.09Å; I572-L575 WeakPolarHBondContact O-CB 3.36Å; I572-L575 PolarHBondContact O-N 3.14Å; L575-S578 PolarHBondContact O-OG 2.72Å
576T80.4Confident88.8Confident61 Ų6145.5 Ų45.537%0.37426%0.261SS..THydrogen-bonded Turntrans-83.2-19.8-179.760.30000113.3Y512 I572 K573 S574Y512-T576 HydrophobicContact CD2-CG2 3.61Å; Y512-T576 HydrophobicContact CG-CG2 3.91Å; I572-T576 PolarHBondContact O-N 3.32Å; K573-T576 PolarHBondContact O-OG1 2.92Å; S574-T576 VanDerWaalsContact C-N 3.28Å; S574-T576 PolarHBondContact O-N 2.99Å
577V66.6Low88Confident124 Ų12443.6 Ų43.675%0.75225%0.252SS*.THydrogen-bonded Turntrans-90.3-22-178178.20000111.5K573 S574K573-V577 WeakPolarHBondContact O-CG2 3.36Å; S574-V577 PolarHBondContact O-N 3.44Å
578S57.2Low87.2Confident79 Ų7945.5 Ų45.555%0.55227%0.265SS*.  trans-84.80175.673.30000112.5S456 L575S456-S578 WeakPolarHBondContact CB-OG 3.33Å; S456-S578 WeakPolarHBondContact OG-CB 3.46Å; S456-S578 PolarHBondContact OG-OG 2.86Å; L575-S578 PolarHBondContact O-OG 2.72Å

Retrieved 578 of 578 residues in 485 ms (Link to these results)

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