A0A077Z6U3_TRITR Loading...

Actin-related protein 2

AlphaFold DB , UniProt , Accession A0A077Z6U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 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
1M84Confident91.3Very high142 Ų14246.5 Ų46.570%0.728%0.276SS*.  0153.80-71.2168.9174.300108.3R6 R7 R366M1-R6 CarbonylContact C-O 3.57Å; M1-R6 WeakPolarHBondContact CA-O 3.48Å; M1-R6 WeakPolarHBondContact CB-O 3.46Å; M1-R7 HydrophobicContact CE-CG 4.18Å; M1-R7 HydrophobicContact CG-CG 4.41Å; M1-R366 WeakPolarHBondContact O-CD 3.25Å
2D85.5Confident91.7Very high8 Ų843.3 Ų43.34%0.04326%0.257CS..  trans-80.1178.8167.979.4-5.3000111.6A4 G5 R6 V8 K106 R366D2-A4 PolarHBondContact O-N 3.04Å; D2-A4 WeakPolarHBondContact OD1-CA 3.44Å; D2-A4 PolarHBondContact OD1-N 3.18Å; D2-G5 PolarHBondContact O-N 3.03Å; D2-G5 PolarHBondContact OD1-N 3Å; D2-R6 PolarHBondContact N-O 3.09Å; D2-R6 VanDerWaalsContact OD1-CB 3.32Å; D2-R6 WeakPolarHBondContact OD1-CB 3.42Å; D2-R6 PolarHBondContact OD1-N 2.99Å; D2-R6 IonicContact OD1-NE 2.65Å; D2-R6 PolarHBondContact OD1-NE 3.48Å; D2-R6 IonicContact OD2-CZ 3.23Å; D2-R6 IonicContact OD2-NE 2.96Å; D2-R6 PolarHBondContact OD2-NE 3.09Å; D2-R6 IonicContact OD2-NH2 2.73Å; D2-R6 PolarHBondContact OD2-NH2 3.07Å; D2-V8 HydrophobicContact CB-CG2 4.49Å; D2-K106 VanDerWaalsContact OD2-CE 3.25Å; D2-K106 WeakPolarHBondContact OD2-CE 3.46Å; D2-K106 IonicContact OD2-NZ 3.86Å; D2-K106 PolarHBondContact OD2-NZ 3.08Å; D2-R366 HydrophobicContact CB-CB 4.11Å; D2-R366 HydrophobicContact CB-CG 4.4Å
3S85.3Confident91.9Very high103 Ų10340.8 Ų40.872%0.7224%0.241SC*.THydrogen-bonded Turntrans-59.3-21.5179.448.30000114.3G5 D367S3-G5 VanDerWaalsContact C-N 3.34Å; S3-D367 WeakPolarHBondContact CB-OD1 3.48Å; S3-D367 PolarHBondContact N-OD1 2.74Å; S3-D367 PolarHBondContact OG-OD1 3.47Å
4A84.9Confident92Very high67 Ų6738.5 Ų38.555%0.55423%0.231SC*.THydrogen-bonded Turntrans-93.28.3175.100000112.7D2 R6D2-A4 PolarHBondContact O-N 3.04Å; D2-A4 WeakPolarHBondContact OD1-CA 3.44Å; D2-A4 PolarHBondContact OD1-N 3.18Å; A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 HydrophobicContact CB-CG 4.37Å; A4-R6 PolarHBondContact O-N 3.47Å
5G88.2Confident92.1Very high44 Ų4436.6 Ų36.645%0.45422%0.219SC..SBendtrans79.44.7-178.800000114.4D2 S3D2-G5 PolarHBondContact O-N 3.03Å; D2-G5 PolarHBondContact OD1-N 3Å; S3-G5 VanDerWaalsContact C-N 3.34Å
6R89.7Confident92.2Very high53 Ų5334.8 Ų34.820%0.221%0.21CC..  trans-74.1139.1-177.2-61.3173.5-71.8-156-8.2110.5M1 D2 A4 E104M1-R6 CarbonylContact C-O 3.57Å; M1-R6 WeakPolarHBondContact CA-O 3.48Å; M1-R6 WeakPolarHBondContact CB-O 3.46Å; D2-R6 PolarHBondContact N-O 3.09Å; D2-R6 VanDerWaalsContact OD1-CB 3.32Å; D2-R6 WeakPolarHBondContact OD1-CB 3.42Å; D2-R6 PolarHBondContact OD1-N 2.99Å; D2-R6 IonicContact OD1-NE 2.65Å; D2-R6 PolarHBondContact OD1-NE 3.48Å; D2-R6 IonicContact OD2-CZ 3.23Å; D2-R6 IonicContact OD2-NE 2.96Å; D2-R6 PolarHBondContact OD2-NE 3.09Å; D2-R6 IonicContact OD2-NH2 2.73Å; D2-R6 PolarHBondContact OD2-NH2 3.07Å; A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 HydrophobicContact CB-CG 4.37Å; A4-R6 PolarHBondContact O-N 3.47Å; R6-E104 WeakPolarHBondContact CB-O 3.26Å
7R94.7Very high92.4Very high90 Ų9035.6 Ų35.634%0.3421%0.21SC..EExtended strand (participates in β ladder)trans-72.5141.1169.9-66.4174.775.9177.97.7108.9M1 F22 C105 K106M1-R7 HydrophobicContact CE-CG 4.18Å; M1-R7 HydrophobicContact CG-CG 4.41Å; R7-F22 HydrophobicContact CB-CD1 4.31Å; R7-F22 HydrophobicContact CB-CE1 4.3Å; R7-F22 VanDerWaalsContact CZ-CE1 3.44Å; R7-F22 VanDerWaalsContact NE-CE1 3.27Å; R7-F22 VanDerWaalsContact NH2-CE1 3.28Å; R7-C105 WeakPolarHBondContact O-CA 3.39Å; R7-K106 PolarHBondContact O-N 3.13Å
8V97.3Very high92.6Very high5 Ų533.6 Ų33.63%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-110.7111.5176.8-173.40000107.4D2 F22 A23 K106 A362 R366 W372D2-V8 HydrophobicContact CB-CG2 4.49Å; V8-F22 CarbonylContact O-C 3.59Å; V8-F22 WeakPolarHBondContact O-CA 3.33Å; V8-A23 HydrophobicContact CB-CB 3.72Å; V8-A23 HydrophobicContact CG1-CB 3.91Å; V8-A23 PolarHBondContact O-N 2.75Å; V8-K106 HydrophobicContact CG1-CB 4.34Å; V8-K106 HydrophobicContact CG2-CB 4.34Å; V8-A362 HydrophobicContact CG1-CB 3.84Å; V8-R366 HydrophobicContact CG2-CB 4.04Å; V8-W372 HydrophobicContact CG1-CH2 3.51Å; V8-W372 HydrophobicContact CG1-CZ2 3.83Å
9V98.1Very high92.9Very high0 Ų033.3 Ų33.30%020%0.195CC..EExtended strand (participates in β ladder)trans-94.9142.5-173.9-174.80000108.9V11 F22 L98 I100 C105 K106 L107 L108V9-V11 HydrophobicContact CG1-CG2 4.03Å; V9-F22 HydrophobicContact CG2-CD1 4.27Å; V9-F22 HydrophobicContact CG2-CE1 3.91Å; V9-L98 HydrophobicContact CG1-CD1 3.66Å; V9-I100 HydrophobicContact CG1-CD1 4.35Å; V9-I100 HydrophobicContact CG2-CD1 3.62Å; V9-C105 HydrophobicContact CG2-CB 4.03Å; V9-K106 PolarHBondContact N-O 3.49Å; V9-L107 HydrophobicContact CB-CD1 3.98Å; V9-L107 HydrophobicContact CG1-CD1 3.91Å; V9-L107 WeakPolarHBondContact O-CA 3.35Å; V9-L108 PolarHBondContact O-N 3.12Å
10V98.2Very high93.2Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-122.8129.9174.3-178.60000108.9C20 G21 L108 F355 A362V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.35Å; V10-G21 PolarHBondContact N-O 3.49Å; V10-G21 PolarHBondContact O-N 3.4Å; V10-G21 VanDerWaalsContact O-N 3.11Å; V10-L108 WeakPolarHBondContact CA-O 3.24Å; V10-L108 HydrophobicContact CG1-CD2 4.19Å; V10-L108 HydrophobicContact CG2-CB 4.36Å; V10-F355 HydrophobicContact CB-CD2 4.38Å; V10-F355 HydrophobicContact CB-CE2 3.85Å; V10-F355 HydrophobicContact CB-CZ 4.48Å; V10-F355 HydrophobicContact CG1-CD2 3.91Å; V10-F355 HydrophobicContact CG1-CE2 3.9Å; V10-A362 HydrophobicContact CG2-CB 3.77Å
11V98Very high93.4Very high0 Ų030.1 Ų30.10%018%0.176CC..EExtended strand (participates in β ladder)trans-132.1114.7179.2-178.20000110.1V9 N13 V18 C20 T92 F93 L107 L108 L109 T110V9-V11 HydrophobicContact CG1-CG2 4.03Å; V11-N13 WeakPolarHBondContact CG1-OD1 3.21Å; V11-V18 HydrophobicContact CG1-CG1 4.08Å; V11-C20 HydrophobicContact CG2-CB 3.99Å; V11-T92 HydrophobicContact CG1-CG2 4.43Å; V11-T92 HydrophobicContact CG2-CG2 4.2Å; V11-F93 HydrophobicContact CG2-CE1 3.94Å; V11-F93 HydrophobicContact CG2-CZ 4.5Å; V11-L107 HydrophobicContact CB-CD1 4.27Å; V11-L107 HydrophobicContact CG2-CD1 3.69Å; V11-L108 PolarHBondContact N-O 3Å; V11-L109 HydrophobicContact CB-CD2 3.98Å; V11-L109 HydrophobicContact CG1-CD2 4.26Å; V11-T110 PolarHBondContact O-N 3.37Å; V11-T110 VanDerWaalsContact O-N 3.13Å
12D96.7Very high94Very high8 Ų824.3 Ų24.34%0.04315%0.147CC..EExtended strand (participates in β ladder)trans-93.5106.7167.6175.842.6000110.7G14 V18 K19 T110 Q141 V354 F355D12-G14 PolarHBondContact O-N 2.96Å; D12-G14 VanDerWaalsContact O-N 3.12Å; D12-V18 WeakPolarHBondContact O-CA 3.45Å; D12-K19 HydrophobicContact CB-CB 4.38Å; D12-K19 HydrophobicContact CB-CD 4.13Å; D12-K19 PolarHBondContact N-O 3.48Å; D12-K19 PolarHBondContact O-N 3.1Å; D12-K19 WeakPolarHBondContact OD2-CD 3.47Å; D12-K19 IonicContact OD2-NZ 3.74Å; D12-K19 PolarHBondContact OD2-NZ 3.2Å; D12-T110 WeakPolarHBondContact CA-OG1 3.32Å; D12-T110 HydrophobicContact CB-CG2 4.11Å; D12-T110 PolarHBondContact OD1-OG1 2.94Å; D12-Q141 PolarHBondContact OD1-NE2 3.41Å; D12-V354 HydrophobicContact CB-CG1 4.22Å; D12-V354 WeakPolarHBondContact OD1-CG1 3.38Å; D12-F355 HydrophobicContact CB-CB 4.44Å
13N94.6Very high94.5Very high10 Ų1024.8 Ų24.85%0.05315%0.152CC..EExtended strand (participates in β ladder)trans-83.880.8179.1-61.1-58.9000110.3V11 M74 M85 W89 L109V11-N13 WeakPolarHBondContact CG1-OD1 3.21Å; N13-M74 HydrophobicContact CB-CE 4.31Å; N13-M74 HydrophobicContact CB-SD 4.01Å; N13-M85 HydrophobicContact CB-CE 3.97Å; N13-M85 WeakPolarHBondContact OD1-CE 3.37Å; N13-W89 PolarHBondContact OD1-NE1 2.9Å; N13-L109 VanDerWaalsContact ND2-CD2 3.3Å; N13-L109 WeakPolarHBondContact ND2-CD2 3.27Å
14G93.2Very high94.9Very high9 Ų921.9 Ų21.99%0.09314%0.138CC..  trans-83.2145.4176.200000112.5D12 G16 F17 S34 M74D12-G14 PolarHBondContact O-N 2.96Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.24Å; G14-F17 WeakPolarHBondContact CA-O 3.33Å; G14-F17 PolarHBondContact N-O 3.09Å; G14-F17 CarbonylContact O-C 3.56Å; G14-F17 PolarHBondContact O-N 2.99Å; G14-S34 WeakPolarHBondContact O-CB 3.44Å; G14-S34 PolarHBondContact O-OG 3.2Å; G14-M74 WeakPolarHBondContact O-CE 3.34Å
15T93Very high95.3Very high10 Ų1019.9 Ų19.96%0.06112%0.12CC..SBendtrans-54.2-39.5178.9-49.20000114M74 G77T15-M74 HydrophobicContact CG2-CB 4.42Å; T15-G77 VanDerWaalsContact OG1-CA 3.26Å; T15-G77 WeakPolarHBondContact OG1-CA 3.47Å; T15-G77 PolarHBondContact OG1-N 2.72Å
16G93.1Very high95.3Very high7 Ų724.1 Ų24.17%0.07213%0.132CC..SBendtrans-93-36.5177.500000113.6G14 P33 S34 D161G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.24Å; G16-P33 CarbonylContact O-C 3.51Å; G16-P33 WeakPolarHBondContact O-CA 3.3Å; G16-S34 PolarHBondContact O-N 3.13Å; G16-D161 VanDerWaalsContact CA-OD2 3.25Å; G16-D161 WeakPolarHBondContact CA-OD2 3.48Å
17F95.7Very high95.4Very high49 Ų4928.2 Ų28.222%0.21515%0.152CC..EExtended strand (participates in β ladder)trans-143.8134-172.8-62.8-90.9000111.6G14 K19 I31 F32 P33 S34G14-F17 WeakPolarHBondContact CA-O 3.33Å; G14-F17 PolarHBondContact N-O 3.09Å; G14-F17 CarbonylContact O-C 3.56Å; G14-F17 PolarHBondContact O-N 2.99Å; F17-K19 VanDerWaalsContact O-CE 3.22Å; F17-K19 WeakPolarHBondContact O-CE 3.37Å; F17-K19 PolarHBondContact O-NZ 3.05Å; F17-I31 HydrophobicContact CB-CG2 4.26Å; F17-I31 HydrophobicContact CD1-CG2 4.2Å; F17-F32 CarbonylContact C-O 3.39Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.33Å; F17-P33 HydrophobicContact CD1-CG 4.43Å; F17-P33 HydrophobicContact CE1-CB 4.47Å; F17-P33 HydrophobicContact CE1-CG 4.12Å; F17-S34 VanDerWaalsContact C-OG 3.22Å; F17-S34 WeakPolarHBondContact CA-OG 3.28Å; F17-S34 PolarHBondContact N-OG 2.77Å
18V97.2Very high95.5Very high0 Ų024.7 Ų24.70%014%0.141CC..EExtended strand (participates in β ladder)trans-80.6138.8164.1-1780000108.3V11 D12 I31 F32 S34 L88 T92V11-V18 HydrophobicContact CG1-CG1 4.08Å; D12-V18 WeakPolarHBondContact O-CA 3.45Å; V18-I31 WeakPolarHBondContact O-CA 3.3Å; V18-F32 HydrophobicContact CB-CD2 4.07Å; V18-F32 HydrophobicContact CB-CE1 4.22Å; V18-F32 HydrophobicContact CB-CE2 3.53Å; V18-F32 HydrophobicContact CB-CZ 3.6Å; V18-F32 HydrophobicContact CG1-CE1 4.18Å; V18-F32 HydrophobicContact CG1-CE2 4.04Å; V18-F32 HydrophobicContact CG1-CZ 3.61Å; V18-F32 HydrophobicContact CG2-CD2 4.3Å; V18-F32 HydrophobicContact CG2-CE2 3.64Å; V18-F32 HydrophobicContact CG2-CZ 4.1Å; V18-F32 PolarHBondContact N-O 3.43Å; V18-F32 PolarHBondContact O-N 3.15Å; V18-S34 WeakPolarHBondContact CG2-OG 3.33Å; V18-S34 PolarHBondContact N-OG 2.85Å; V18-L88 HydrophobicContact CG2-CD1 4.22Å; V18-L88 HydrophobicContact CG2-CD2 3.62Å; V18-L88 HydrophobicContact CG2-CG 3.97Å; V18-T92 HydrophobicContact CG1-CG2 4.49Å
19K97.6Very high95.5Very high28 Ų2828.5 Ų28.512%0.12216%0.158CC..EExtended strand (participates in β ladder)trans-126.3123.2168.8-4994.3-171.3169.20108.1D12 F17 P28 R30 I31 F355D12-K19 HydrophobicContact CB-CB 4.38Å; D12-K19 HydrophobicContact CB-CD 4.13Å; D12-K19 PolarHBondContact N-O 3.48Å; D12-K19 PolarHBondContact O-N 3.1Å; D12-K19 WeakPolarHBondContact OD2-CD 3.47Å; D12-K19 IonicContact OD2-NZ 3.74Å; D12-K19 PolarHBondContact OD2-NZ 3.2Å; F17-K19 VanDerWaalsContact O-CE 3.22Å; F17-K19 WeakPolarHBondContact O-CE 3.37Å; F17-K19 PolarHBondContact O-NZ 3.05Å; K19-P28 HydrophobicContact CB-CB 3.8Å; K19-P28 HydrophobicContact CB-CG 3.75Å; K19-P28 HydrophobicContact CG-CG 4.26Å; K19-R30 WeakPolarHBondContact CA-O 3.4Å; K19-I31 HydrophobicContact CB-CG1 4.37Å; K19-I31 HydrophobicContact CG-CG1 4.07Å; K19-I31 HydrophobicContact CG-CG2 4.25Å; K19-F355 HydrophobicContact CB-CB 4.39Å; K19-F355 HydrophobicContact CB-CD2 4.37Å
20C98Very high95.4Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-138161.2-177.764.50000112.2V10 V11 P28 E29 R30 T92 L98V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.35Å; V11-C20 HydrophobicContact CG2-CB 3.99Å; C20-P28 CarbonylContact O-C 3.18Å; C20-E29 PolarHBondContact O-N 2.98Å; C20-R30 PolarHBondContact N-O 2.84Å; C20-R30 PolarHBondContact O-N 2.85Å; C20-R30 VanDerWaalsContact O-N 3.1Å; C20-T92 HydrophobicContact CB-CG2 3.96Å; C20-L98 HydrophobicContact CB-CD1 4.07Å; C20-L98 HydrophobicContact CB-CD2 4.47Å
21G97.8Very high95.3Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans168.5-152-17700000110.1V10V10-G21 PolarHBondContact N-O 3.49Å; V10-G21 PolarHBondContact O-N 3.4Å; V10-G21 VanDerWaalsContact O-N 3.11Å
22F97.5Very high95.2Very high20 Ų2037 Ų379%0.08820%0.195CC..EExtended strand (participates in β ladder)trans-118.6159.7-173.9-60.1-81.1000112.3R7 V8 V9 G24 S25 E29 L98 I100R7-F22 HydrophobicContact CB-CD1 4.31Å; R7-F22 HydrophobicContact CB-CE1 4.3Å; R7-F22 VanDerWaalsContact CZ-CE1 3.44Å; R7-F22 VanDerWaalsContact NE-CE1 3.27Å; R7-F22 VanDerWaalsContact NH2-CE1 3.28Å; V8-F22 CarbonylContact O-C 3.59Å; V8-F22 WeakPolarHBondContact O-CA 3.33Å; V9-F22 HydrophobicContact CG2-CD1 4.27Å; V9-F22 HydrophobicContact CG2-CE1 3.91Å; F22-G24 PolarHBondContact O-N 2.88Å; F22-S25 VanDerWaalsContact O-CB 3.3Å; F22-S25 WeakPolarHBondContact O-CB 3.42Å; F22-S25 PolarHBondContact O-N 3.43Å; F22-S25 PolarHBondContact O-OG 2.92Å; F22-S25 VanDerWaalsContact O-OG 3.09Å; F22-E29 VanDerWaalsContact CD2-CD 3.45Å; F22-E29 HydrophobicContact CD2-CG 4.43Å; F22-E29 VanDerWaalsContact CD2-OE1 3.28Å; F22-E29 WeakPolarHBondContact CD2-OE1 3.33Å; F22-E29 WeakPolarHBondContact CD2-OE2 3.27Å; F22-E29 WeakPolarHBondContact CE2-OE2 3.19Å; F22-L98 HydrophobicContact CE2-CD2 3.93Å; F22-L98 HydrophobicContact CZ-CB 4.36Å; F22-L98 HydrophobicContact CZ-CD2 3.98Å; F22-I100 HydrophobicContact CE1-CG2 4.09Å; F22-I100 HydrophobicContact CZ-CG2 3.97Å
23A96.3Very high95.2Very high17 Ų1737.2 Ų37.214%0.1420%0.196CC..THydrogen-bonded Turntrans-54.6136.217000000110.8V8 S25 A362 Q363V8-A23 HydrophobicContact CB-CB 3.72Å; V8-A23 HydrophobicContact CG1-CB 3.91Å; V8-A23 PolarHBondContact O-N 2.75Å; A23-S25 VanDerWaalsContact C-N 3.3Å; A23-S25 PolarHBondContact O-N 3.36Å; A23-A362 HydrophobicContact CB-CB 3.75Å; A23-Q363 HydrophobicContact CB-CB 4.12Å
24G92.3Very high95.2Very high43 Ų4336.7 Ų36.744%0.44319%0.194SC..THydrogen-bonded Turntrans82.9-4.2-177.700000115.1F22 A359F22-G24 PolarHBondContact O-N 2.88Å; G24-A359 PolarHBondContact N-O 3.05Å
25S93Very high95.3Very high25 Ų2536.4 Ų36.418%0.17519%0.19CC..  trans-70.9133.4174.8-60.90000111.6F22 A23 F27 A359F22-S25 VanDerWaalsContact O-CB 3.3Å; F22-S25 WeakPolarHBondContact O-CB 3.42Å; F22-S25 PolarHBondContact O-N 3.43Å; F22-S25 PolarHBondContact O-OG 2.92Å; F22-S25 VanDerWaalsContact O-OG 3.09Å; A23-S25 VanDerWaalsContact C-N 3.3Å; A23-S25 PolarHBondContact O-N 3.36Å; S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 WeakPolarHBondContact CB-O 3.4Å; S25-A359 WeakPolarHBondContact O-CB 3.41Å
26N89.7Confident95.4Very high132 Ų13235.9 Ų35.971%0.70619%0.187SC*.SBendtrans-74.7-25.7176.6-70.7-34.3000113C356N26-C356 PolarHBondContact O-SG 3.05Å
27F92.1Very high95.5Very high139 Ų13935.6 Ų35.661%0.6118%0.183SC*.SBendtrans-136.4154.1178.4-59.6-79.3000109.4S25 E29 F355S25-F27 VanDerWaalsContact C-N 3.34Å; S25-F27 WeakPolarHBondContact CB-O 3.4Å; F27-E29 PolarHBondContact O-N 3.32Å; F27-F355 VanDerWaalsContact C-CE1 3.48Å
28P95.9Very high95.4Very high16 Ų1637.3 Ų37.310%0.10419%0.189CC..  trans-58.3135.9170.1-15.726.5000110.6K19 C20 R30 I31 H352 F355K19-P28 HydrophobicContact CB-CB 3.8Å; K19-P28 HydrophobicContact CB-CG 3.75Å; K19-P28 HydrophobicContact CG-CG 4.26Å; C20-P28 CarbonylContact O-C 3.18Å; P28-R30 VanDerWaalsContact C-N 3.31Å; P28-I31 HydrophobicContact CB-CD1 4.26Å; P28-I31 HydrophobicContact CB-CG1 3.83Å; P28-I31 HydrophobicContact CG-CD1 4.13Å; P28-I31 HydrophobicContact CG-CG1 4.16Å; P28-H352 HydrophobicContact CG-CB 4.16Å; P28-F355 VanDerWaalsContact CA-CE1 3.41Å; P28-F355 HydrophobicContact CB-CD1 4.03Å; P28-F355 HydrophobicContact CB-CD2 4.32Å; P28-F355 HydrophobicContact CB-CE1 4.1Å; P28-F355 HydrophobicContact CB-CE2 4.37Å; P28-F355 HydrophobicContact CB-CG 4.16Å; P28-F355 HydrophobicContact CB-CZ 4.27Å; P28-F355 HydrophobicContact CG-CB 4.14Å; P28-F355 HydrophobicContact CG-CD1 3.54Å; P28-F355 HydrophobicContact CG-CD2 4.34Å; P28-F355 HydrophobicContact CG-CE1 4.07Å; P28-F355 HydrophobicContact CG-CG 3.72Å; P28-F355 VanDerWaalsContact N-CE1 3.33Å
29E96.4Very high95Very high85 Ų8538.9 Ų38.940%0.39720%0.199SC..SBendtrans-72.7-31.3176.1-67.2-162.4174.100112C20 F22 F27C20-E29 PolarHBondContact O-N 2.98Å; F22-E29 VanDerWaalsContact CD2-CD 3.45Å; F22-E29 HydrophobicContact CD2-CG 4.43Å; F22-E29 VanDerWaalsContact CD2-OE1 3.28Å; F22-E29 WeakPolarHBondContact CD2-OE1 3.33Å; F22-E29 WeakPolarHBondContact CD2-OE2 3.27Å; F22-E29 WeakPolarHBondContact CE2-OE2 3.19Å; F27-E29 PolarHBondContact O-N 3.32Å
30R97.3Very high94.4Very high111 Ų11142.8 Ų42.842%0.41922%0.22SC..EExtended strand (participates in β ladder)trans-134.7140.3177.1-61.6-67.1-178.7-91.2-4110.1K19 C20 P28 F32 N97K19-R30 WeakPolarHBondContact CA-O 3.4Å; C20-R30 PolarHBondContact N-O 2.84Å; C20-R30 PolarHBondContact O-N 2.85Å; C20-R30 VanDerWaalsContact O-N 3.1Å; P28-R30 VanDerWaalsContact C-N 3.31Å; R30-F32 HydrophobicContact CB-CD1 4.38Å; R30-F32 HydrophobicContact CB-CE1 4.46Å; R30-N97 HydrophobicContact CG-CB 4.13Å; R30-N97 PolarHBondContact NE-O 3.22Å
31I96.6Very high93.5Very high68 Ų6849.5 Ų49.535%0.34926%0.255SS..EExtended strand (participates in β ladder)trans-136125.3172.4-56.1171.3000106.6F17 V18 K19 P28 H352F17-I31 HydrophobicContact CB-CG2 4.26Å; F17-I31 HydrophobicContact CD1-CG2 4.2Å; V18-I31 WeakPolarHBondContact O-CA 3.3Å; K19-I31 HydrophobicContact CB-CG1 4.37Å; K19-I31 HydrophobicContact CG-CG1 4.07Å; K19-I31 HydrophobicContact CG-CG2 4.25Å; P28-I31 HydrophobicContact CB-CD1 4.26Å; P28-I31 HydrophobicContact CB-CG1 3.83Å; P28-I31 HydrophobicContact CG-CD1 4.13Å; P28-I31 HydrophobicContact CG-CG1 4.16Å; I31-H352 VanDerWaalsContact CD1-CE1 3.46Å; I31-H352 WeakPolarHBondContact CD1-CE1 3.44Å
32F96.1Very high92.1Very high1 Ų161.7 Ų61.70%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-147155.6178.252.6-93.2000111F17 V18 R30 L88 Y91 T92 N97F17-F32 CarbonylContact C-O 3.39Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.33Å; V18-F32 HydrophobicContact CB-CD2 4.07Å; V18-F32 HydrophobicContact CB-CE1 4.22Å; V18-F32 HydrophobicContact CB-CE2 3.53Å; V18-F32 HydrophobicContact CB-CZ 3.6Å; V18-F32 HydrophobicContact CG1-CE1 4.18Å; V18-F32 HydrophobicContact CG1-CE2 4.04Å; V18-F32 HydrophobicContact CG1-CZ 3.61Å; V18-F32 HydrophobicContact CG2-CD2 4.3Å; V18-F32 HydrophobicContact CG2-CE2 3.64Å; V18-F32 HydrophobicContact CG2-CZ 4.1Å; V18-F32 PolarHBondContact N-O 3.43Å; V18-F32 PolarHBondContact O-N 3.15Å; R30-F32 HydrophobicContact CB-CD1 4.38Å; R30-F32 HydrophobicContact CB-CE1 4.46Å; F32-L88 HydrophobicContact CD2-CD1 4.25Å; F32-L88 HydrophobicContact CE2-CD1 3.7Å; F32-L88 HydrophobicContact CE2-CG 4.38Å; F32-Y91 HydrophobicContact CB-CE1 4.33Å; F32-Y91 HydrophobicContact CD1-CE1 4.14Å; F32-Y91 AromaticContact CD2-CD1 3.87Å; F32-Y91 HydrophobicContact CD2-CD1 3.87Å; F32-Y91 AromaticContact CD2-CE1 3.75Å; F32-Y91 HydrophobicContact CD2-CE1 3.75Å; F32-Y91 HydrophobicContact CE1-CD1 4.4Å; F32-Y91 HydrophobicContact CE1-CE1 4.4Å; F32-Y91 AromaticContact CE2-CD1 3.67Å; F32-Y91 HydrophobicContact CE2-CD1 3.67Å; F32-Y91 HydrophobicContact CE2-CE1 4.03Å; F32-Y91 HydrophobicContact CG-CD1 4.31Å; F32-Y91 AromaticContact CG-CE1 3.81Å; F32-Y91 HydrophobicContact CG-CE1 3.81Å; F32-Y91 AromaticContact CZ-CD1 3.96Å; F32-Y91 HydrophobicContact CZ-CD1 3.96Å; F32-Y91 HydrophobicContact CZ-CE1 4.35Å; F32-T92 HydrophobicContact CZ-CG2 4.29Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.44Å; F32-N97 WeakPolarHBondContact CD1-OD1 3.44Å; F32-N97 HydrophobicContact CE1-CB 4.48Å; F32-N97 WeakPolarHBondContact CE1-OD1 3.34Å
33P95Very high90.3Very high11 Ų1162.8 Ų62.87%0.07131%0.311CS..EExtended strand (participates in β ladder)trans-62.3140.1178.8-20.131.7000112G16 F17 I35 G58 N59G16-P33 CarbonylContact O-C 3.51Å; G16-P33 WeakPolarHBondContact O-CA 3.3Å; F17-P33 HydrophobicContact CD1-CG 4.43Å; F17-P33 HydrophobicContact CE1-CB 4.47Å; F17-P33 HydrophobicContact CE1-CG 4.12Å; P33-I35 HydrophobicContact CB-CD1 3.86Å; P33-I35 HydrophobicContact CB-CG1 3.96Å; P33-I35 HydrophobicContact CB-CG2 4.28Å; P33-I35 HydrophobicContact CG-CD1 4.47Å; P33-I35 PolarHBondContact O-N 3.28Å; P33-G58 VanDerWaalsContact O-CA 3.31Å; P33-G58 WeakPolarHBondContact O-CA 3.31Å; P33-N59 WeakPolarHBondContact CD-OD1 3.44Å
34S96Very high88.5Confident0 Ų071.8 Ų71.80%034%0.341CS..SBendtrans-80.567.8176.7-56.20000110.7G14 G16 F17 V18 P73G14-S34 WeakPolarHBondContact O-CB 3.44Å; G14-S34 PolarHBondContact O-OG 3.2Å; G16-S34 PolarHBondContact O-N 3.13Å; F17-S34 VanDerWaalsContact C-OG 3.22Å; F17-S34 WeakPolarHBondContact CA-OG 3.28Å; F17-S34 PolarHBondContact N-OG 2.77Å; V18-S34 WeakPolarHBondContact CG2-OG 3.33Å; V18-S34 PolarHBondContact N-OG 2.85Å; S34-P73 WeakPolarHBondContact O-CD 3.42Å
35I94.8Very high87.1Confident2 Ų274.8 Ų74.81%0.0135%0.347CS..  trans-135.7150.4-174.266.1-174.9000112.3P33 G58 C61 V70 S71 Y72P33-I35 HydrophobicContact CB-CD1 3.86Å; P33-I35 HydrophobicContact CB-CG1 3.96Å; P33-I35 HydrophobicContact CB-CG2 4.28Å; P33-I35 HydrophobicContact CG-CD1 4.47Å; P33-I35 PolarHBondContact O-N 3.28Å; I35-G58 PolarHBondContact O-N 2.92Å; I35-C61 HydrophobicContact CD1-CB 3.62Å; I35-C61 HydrophobicContact CG1-CB 4.15Å; I35-V70 HydrophobicContact CB-CG1 3.8Å; I35-V70 HydrophobicContact CD1-CG1 4.33Å; I35-V70 HydrophobicContact CG2-CG1 4.01Å; I35-S71 WeakPolarHBondContact CA-O 3.49Å; I35-Y72 HydrophobicContact CG2-CD1 3.62Å; I35-Y72 HydrophobicContact CG2-CE1 3.3Å
36V95.5Very high85.6Confident0 Ų083 Ų830%037%0.374CS..EExtended strand (participates in β ladder)trans-124.8123.8171.3-179.30000108.1V55 V70 S71 D84 L87V36-V55 HydrophobicContact CG1-CG1 3.76Å; V36-V70 WeakPolarHBondContact O-CA 3.41Å; V36-S71 PolarHBondContact N-O 3.06Å; V36-S71 PolarHBondContact O-N 3.4Å; V36-S71 PolarHBondContact O-OG 2.86Å; V36-D84 HydrophobicContact CB-CB 4.43Å; V36-D84 HydrophobicContact CG2-CB 3.91Å; V36-L87 HydrophobicContact CG1-CD1 4.05Å; V36-L87 HydrophobicContact CG2-CB 4.43Å
37G93.9Very high84.2Confident0 Ų079.4 Ų79.40%036%0.355CS..EExtended strand (participates in β ladder)trans-108.3133179.700000111.3M56 C61G37-M56 PolarHBondContact N-O 3.43Å; G37-M56 PolarHBondContact O-N 3.47Å; G37-C61 PolarHBondContact N-SG 3.46Å
38R93.4Very high82.8Confident85 Ų8577.5 Ų77.532%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-119.4128.8174.6-66.7173173.589.2-2109.5I40 L68 H69 S71 D84R38-I40 PolarHBondContact O-N 2.64Å; R38-L68 CarbonylContact O-C 3.44Å; R38-L68 WeakPolarHBondContact O-CA 3.36Å; R38-H69 PolarHBondContact N-O 2.93Å; R38-H69 PolarHBondContact O-N 3.39Å; R38-S71 PolarHBondContact NH1-OG 2.69Å; R38-S71 VanDerWaalsContact NH1-OG 3.14Å; R38-D84 IonicContact CZ-OD1 2.75Å; R38-D84 VanDerWaalsContact CZ-OD1 3.3Å; R38-D84 IonicContact NH1-OD1 2.91Å; R38-D84 PolarHBondContact NH1-OD1 2.95Å; R38-D84 VanDerWaalsContact NH1-OD1 3.07Å; R38-D84 IonicContact NH1-OD2 2.8Å; R38-D84 PolarHBondContact NH1-OD2 2.95Å; R38-D84 IonicContact NH2-OD1 2.76Å; R38-D84 PolarHBondContact NH2-OD1 2.89Å
39P89.4Confident81.3Confident33 Ų3380.3 Ų80.321%0.21440%0.396CS..EExtended strand (participates in β ladder)trans-57.1131.7-178.8-24.834.6000112.8L41 V52 K53 D54 L68P39-L41 VanDerWaalsContact C-N 3.35Å; P39-L41 WeakPolarHBondContact CB-O 3.49Å; P39-V52 HydrophobicContact CB-CG1 4.02Å; P39-V52 HydrophobicContact CG-CG1 3.45Å; P39-V52 VanDerWaalsContact CG-CG1 3.45Å; P39-K53 VanDerWaalsContact CG-O 3.29Å; P39-K53 WeakPolarHBondContact CG-O 3.38Å; P39-D54 WeakPolarHBondContact CD-O 3.37Å; P39-L68 HydrophobicContact CB-CD2 4.42Å; P39-L68 HydrophobicContact CG-CD2 4.07Å
40I85.5Confident79.8Confident111 Ų11179.3 Ų79.357%0.56940%0.398SS*.SBendtrans-68.6-39.9176.8-61.5169.1000110R38 M67 H69R38-I40 PolarHBondContact O-N 2.64Å; I40-M67 WeakPolarHBondContact CG1-O 3.49Å; I40-M67 PolarHBondContact N-O 3.43Å; I40-H69 HydrophobicContact CG1-CB 4.4Å
41L80Confident78.7Confident140 Ų14079.5 Ų79.573%0.73340%0.404SS*.SBendtrans-111.2131.2175.7-69.1166.6000108.7P39 S43P39-L41 VanDerWaalsContact C-N 3.35Å; P39-L41 WeakPolarHBondContact CB-O 3.49Å; L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.37Å
42R66.7Low77.8Confident257 Ų25777.3 Ų77.397%0.9739%0.394SS*.  trans-76.286.1170.9-67.8-176179.2172-0.5108.7
43S60.3Low77.3Confident42 Ų4281.7 Ų81.729%0.29441%0.413SS..  trans-128.7134.5166.7137.70000107.3L41 D45L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.37Å; S43-D45 PolarHBondContact O-N 2.88Å; S43-D45 VanDerWaalsContact OG-CB 3.31Å; S43-D45 WeakPolarHBondContact OG-CB 3.42Å; S43-D45 PolarHBondContact OG-N 3.29Å; S43-D45 VanDerWaalsContact OG-N 3.14Å; S43-D45 PolarHBondContact OG-OD2 3.45Å
44R58.8Low77Confident206 Ų20687.2 Ų87.278%0.77744%0.442SS*.  trans-8918.2175.6-71.2-173.5174.7179.2-2.6112R46R44-R46 PolarHBondContact O-N 2.93Å
45D62.3Low76.8Confident107 Ų10789.4 Ų89.457%0.57246%0.455SS*.  trans-67.4136.8-177.1-62.5-42000109.6S43 I47S43-D45 PolarHBondContact O-N 2.88Å; S43-D45 VanDerWaalsContact OG-CB 3.31Å; S43-D45 WeakPolarHBondContact OG-CB 3.42Å; S43-D45 PolarHBondContact OG-N 3.29Å; S43-D45 VanDerWaalsContact OG-N 3.14Å; S43-D45 PolarHBondContact OG-OD2 3.45Å; D45-I47 HydrophobicContact CB-CG1 4.33Å; D45-I47 PolarHBondContact O-N 2.93Å
46R63.1Low76.7Confident197 Ų19789.6 Ų89.674%0.74346%0.456SS*.EExtended strand (participates in β ladder)trans-70.8114170.1-72.5-177172.6-173.3-3.1107.9R44R44-R46 PolarHBondContact O-N 2.93Å
47I60.4Low76.7Confident57 Ų5790 Ų9029%0.29246%0.459SS..EExtended strand (participates in β ladder)trans-116.4129.5179.7-59.4175.2000107.7D45 G49 S50 L64 M67D45-I47 HydrophobicContact CB-CG1 4.33Å; D45-I47 PolarHBondContact O-N 2.93Å; I47-G49 PolarHBondContact O-N 2.94Å; I47-S50 PolarHBondContact N-O 3.44Å; I47-S50 PolarHBondContact O-N 3.32Å; I47-L64 HydrophobicContact CB-CD2 4.36Å; I47-L64 HydrophobicContact CG2-CD2 4.2Å; I47-M67 HydrophobicContact CD1-CE 4.16Å; I47-M67 HydrophobicContact CD1-SD 3.57Å; I47-M67 VanDerWaalsContact CD1-SD 3.57Å; I47-M67 HydrophobicContact CG2-CE 3.89Å; I47-M67 HydrophobicContact CG2-SD 4.03Å
48A61.3Low76.7Confident99 Ų9990 Ų9082%0.81846%0.459SS*.THydrogen-bonded Turntrans55.429.3-177.200000114.8S50A48-S50 VanDerWaalsContact C-N 3.31Å; A48-S50 PolarHBondContact O-N 2.83Å
49G64Low76.7Confident74 Ų7489.1 Ų89.176%0.76346%0.46SS*.THydrogen-bonded Turntrans84.2-4.6177.700000115.2I47I47-G49 PolarHBondContact O-N 2.94Å
50S65.3Low76.8Confident64 Ų6489.6 Ų89.645%0.44846%0.46SS..EExtended strand (participates in β ladder)trans-106.3141.1175.7-600000111.2I47 A48I47-S50 PolarHBondContact N-O 3.44Å; I47-S50 PolarHBondContact O-N 3.32Å; A48-S50 VanDerWaalsContact C-N 3.31Å; A48-S50 PolarHBondContact O-N 2.83Å
51E74.9Confident77Confident116 Ų11684.3 Ų84.354%0.54243%0.432SS..EExtended strand (participates in β ladder)trans-76.6126.8170-174.1172172.600109.1K53E51-K53 PolarHBondContact O-N 2.7Å
52V77.2Confident77.1Confident22 Ų2280.8 Ų80.813%0.13341%0.414CS..  trans-76.2104.4177.9-178.30000108.4P39 L64P39-V52 HydrophobicContact CB-CG1 4.02Å; P39-V52 HydrophobicContact CG-CG1 3.45Å; P39-V52 VanDerWaalsContact CG-CG1 3.45Å; V52-L64 HydrophobicContact CG2-CD1 4.42Å
53K85.7Confident77.6Confident93 Ų9372.5 Ų72.540%0.40441%0.409SS..  trans-73.5158.4173.1-57.4173.7-178.2172.70110.1P39 E51 V55 M56 E60 E96P39-K53 VanDerWaalsContact CG-O 3.29Å; P39-K53 WeakPolarHBondContact CG-O 3.38Å; E51-K53 PolarHBondContact O-N 2.7Å; K53-V55 WeakPolarHBondContact CB-O 3.47Å; K53-V55 PolarHBondContact O-N 3.22Å; K53-M56 HydrophobicContact CB-SD 3.63Å; K53-M56 HydrophobicContact CD-SD 4.2Å; K53-M56 HydrophobicContact CG-SD 3.94Å; K53-M56 PolarHBondContact N-SD 2.72Å; K53-E60 IonicContact NZ-OE1 3.59Å; K53-E60 PolarHBondContact NZ-OE1 2.96Å; K53-E96 IonicContact NZ-OE1 3.48Å
54D87.8Confident78.7Confident126 Ų12671 Ų7167%0.67440%0.398SS*.SBendtrans-59.8-28.9174.9-71.1-35.4000112.5P39P39-D54 WeakPolarHBondContact CD-O 3.37Å
55V92.7Very high79.8Confident46 Ų4664.3 Ų64.328%0.27937%0.373SS..SBendtrans-135.2127.9174.6179.40000108V36 K53 V57 L87V36-V55 HydrophobicContact CG1-CG1 3.76Å; K53-V55 WeakPolarHBondContact CB-O 3.47Å; K53-V55 PolarHBondContact O-N 3.22Å; V55-V57 HydrophobicContact CG1-CG2 4.02Å; V55-L87 HydrophobicContact CG1-CD1 3.83Å; V55-L87 HydrophobicContact CG1-CD2 4.31Å
56M93Very high80.6Confident6 Ų667.6 Ų67.63%0.0339%0.385CS..EExtended strand (participates in β ladder)trans-115.1137.7176.1-58.6-71.3-88.300108G37 K53 E60 C61 L64 L68G37-M56 PolarHBondContact N-O 3.43Å; G37-M56 PolarHBondContact O-N 3.47Å; K53-M56 HydrophobicContact CB-SD 3.63Å; K53-M56 HydrophobicContact CD-SD 4.2Å; K53-M56 HydrophobicContact CG-SD 3.94Å; K53-M56 PolarHBondContact N-SD 2.72Å; M56-E60 HydrophobicContact CB-CB 4.14Å; M56-E60 HydrophobicContact CE-CB 3.94Å; M56-E60 WeakPolarHBondContact CE-O 3.45Å; M56-E60 HydrophobicContact SD-CB 4.31Å; M56-C61 PolarHBondContact O-SG 2.88Å; M56-L64 HydrophobicContact CE-CD1 3.55Å; M56-L68 HydrophobicContact CB-CD1 4.24Å; M56-L68 HydrophobicContact CG-CD1 4.4Å; M56-L68 HydrophobicContact CG-CD2 4.24Å
57V95.3Very high81.7Confident9 Ų962.6 Ų62.66%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-127141.1-175.9-173.60000111.3V55 N59 E60 L87 L88 Y91V55-V57 HydrophobicContact CG1-CG2 4.02Å; V57-N59 PolarHBondContact O-N 3.12Å; V57-N59 VanDerWaalsContact O-N 3.14Å; V57-E60 PolarHBondContact N-OE2 2.9Å; V57-E60 WeakPolarHBondContact O-CB 3.33Å; V57-E60 WeakPolarHBondContact O-CG 3.47Å; V57-E60 PolarHBondContact O-N 3.23Å; V57-E60 VanDerWaalsContact O-N 3.07Å; V57-L87 HydrophobicContact CG2-CB 4.32Å; V57-L88 HydrophobicContact CG1-CD1 3.67Å; V57-Y91 HydrophobicContact CB-CD1 4.26Å; V57-Y91 HydrophobicContact CB-CD2 3.98Å; V57-Y91 HydrophobicContact CB-CG 3.77Å; V57-Y91 VanDerWaalsContact CG1-CB 3.47Å; V57-Y91 HydrophobicContact CG1-CD1 3.79Å; V57-Y91 HydrophobicContact CG1-CD2 4.35Å; V57-Y91 HydrophobicContact CG1-CG 3.62Å
58G94.7Very high83Confident0 Ų060.4 Ų60.40%036%0.359CS..G310 helixtrans56.3-118.1173.300000113.5P33 I35 E60 C61P33-G58 VanDerWaalsContact O-CA 3.31Å; P33-G58 WeakPolarHBondContact O-CA 3.31Å; I35-G58 PolarHBondContact O-N 2.92Å; G58-E60 VanDerWaalsContact C-N 3.25Å; G58-E60 PolarHBondContact O-N 3.38Å; G58-C61 WeakPolarHBondContact O-CB 3.37Å; G58-C61 PolarHBondContact O-N 3.4Å
59N93.1Very high84.3Confident67 Ų6761.6 Ų61.636%0.35835%0.348SS..G310 helixtrans-70.3-20.2-176.5-73-29.7000113.4P33 V57 C61 N62 Y91P33-N59 WeakPolarHBondContact CD-OD1 3.44Å; V57-N59 PolarHBondContact O-N 3.12Å; V57-N59 VanDerWaalsContact O-N 3.14Å; N59-C61 PolarHBondContact O-N 3.37Å; N59-N62 VanDerWaalsContact O-CB 3.23Å; N59-N62 WeakPolarHBondContact O-CB 3.2Å; N59-N62 PolarHBondContact O-N 3.3Å; N59-N62 PolarHBondContact OD1-ND2 3.14Å; N59-Y91 PolarHBondContact N-OH 3.29Å
60E91.2Very high85.6Confident42 Ų4259.9 Ų59.920%0.19632%0.322CS..G310 helixtrans-63.3-26.8174.4-59.1-177.9142.800111.8K53 M56 V57 G58 N62 Y91K53-E60 IonicContact NZ-OE1 3.59Å; K53-E60 PolarHBondContact NZ-OE1 2.96Å; M56-E60 HydrophobicContact CB-CB 4.14Å; M56-E60 HydrophobicContact CE-CB 3.94Å; M56-E60 WeakPolarHBondContact CE-O 3.45Å; M56-E60 HydrophobicContact SD-CB 4.31Å; V57-E60 PolarHBondContact N-OE2 2.9Å; V57-E60 WeakPolarHBondContact O-CB 3.33Å; V57-E60 WeakPolarHBondContact O-CG 3.47Å; V57-E60 PolarHBondContact O-N 3.23Å; V57-E60 VanDerWaalsContact O-N 3.07Å; G58-E60 VanDerWaalsContact C-N 3.25Å; G58-E60 PolarHBondContact O-N 3.38Å; E60-N62 PolarHBondContact O-N 2.85Å; E60-Y91 HydrophobicContact CG-CE2 3.89Å
61C89Confident86.8Confident0 Ų057.7 Ų57.70%031%0.307CS..G310 helixtrans-73.7-17.7175.3-63.20000112.7I35 G37 M56 G58 N59 L64 R65 L68I35-C61 HydrophobicContact CD1-CB 3.62Å; I35-C61 HydrophobicContact CG1-CB 4.15Å; G37-C61 PolarHBondContact N-SG 3.46Å; M56-C61 PolarHBondContact O-SG 2.88Å; G58-C61 WeakPolarHBondContact O-CB 3.37Å; G58-C61 PolarHBondContact O-N 3.4Å; N59-C61 PolarHBondContact O-N 3.37Å; C61-L64 PolarHBondContact O-N 3.22Å; C61-R65 WeakPolarHBondContact O-CG 3.28Å; C61-R65 PolarHBondContact O-N 3.02Å; C61-R65 VanDerWaalsContact O-N 3.12Å; C61-L68 HydrophobicContact CB-CD1 3.99Å
62N83.1Confident87.7Confident66 Ų6656 Ų5635%0.35330%0.296SS..THydrogen-bonded Turntrans-66.8137.4-178.7-64.6-25000109.8N59 E60 L64 R65N59-N62 VanDerWaalsContact O-CB 3.23Å; N59-N62 WeakPolarHBondContact O-CB 3.2Å; N59-N62 PolarHBondContact O-N 3.3Å; N59-N62 PolarHBondContact OD1-ND2 3.14Å; E60-N62 PolarHBondContact O-N 2.85Å; N62-L64 PolarHBondContact O-N 3.08Å; N62-L64 VanDerWaalsContact O-N 3.15Å; N62-R65 PolarHBondContact OD1-NH2 3.25Å
63G77.3Confident88.5Confident84 Ų8454.9 Ų54.987%0.86629%0.29SS*.THydrogen-bonded Turntrans79.6-23.8-175.400000114.7
64L83.7Confident88.9Confident9 Ų950.7 Ų50.75%0.04727%0.272CS..THydrogen-bonded Turntrans-107.1-0.3179.8-63.6174.3000113.9I47 V52 M56 C61 N62 Q66 M67 L68I47-L64 HydrophobicContact CB-CD2 4.36Å; I47-L64 HydrophobicContact CG2-CD2 4.2Å; V52-L64 HydrophobicContact CG2-CD1 4.42Å; M56-L64 HydrophobicContact CE-CD1 3.55Å; C61-L64 PolarHBondContact O-N 3.22Å; N62-L64 PolarHBondContact O-N 3.08Å; N62-L64 VanDerWaalsContact O-N 3.15Å; L64-Q66 PolarHBondContact O-N 3.01Å; L64-M67 HydrophobicContact CD2-SD 4.42Å; L64-M67 PolarHBondContact O-N 3.04Å; L64-L68 HydrophobicContact CB-CD1 3.95Å; L64-L68 HydrophobicContact CB-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.49Å
65R80.6Confident89.1Confident67 Ų6748 Ų4825%0.25326%0.258SS..G310 helixtrans-48.6-36.7-175.7-71.7-163.2173.5116.32.8114.8C61 N62 M67 L68 E211C61-R65 WeakPolarHBondContact O-CG 3.28Å; C61-R65 PolarHBondContact O-N 3.02Å; C61-R65 VanDerWaalsContact O-N 3.12Å; N62-R65 PolarHBondContact OD1-NH2 3.25Å; R65-M67 PolarHBondContact O-N 2.97Å; R65-L68 PolarHBondContact O-N 3.26Å; R65-L68 VanDerWaalsContact O-O 3.13Å; R65-E211 VanDerWaalsContact NH1-CD 3.29Å; R65-E211 IonicContact NH1-OE1 2.8Å; R65-E211 IonicContact NH1-OE2 3.97Å
66Q80.3Confident89Confident176 Ų17647.2 Ų47.282%0.82225%0.251SS*.G310 helixtrans-66-19.4-179.9-65.3-178.9-500113.5L64L64-Q66 PolarHBondContact O-N 3.01Å
67M84.3Confident88.7Confident92 Ų9247.4 Ų47.445%0.45326%0.255SS..G310 helixtrans-104.1-1.8-179.1-57179.8-178.700112.4I40 I47 L64 R65I40-M67 WeakPolarHBondContact CG1-O 3.49Å; I40-M67 PolarHBondContact N-O 3.43Å; I47-M67 HydrophobicContact CD1-CE 4.16Å; I47-M67 HydrophobicContact CD1-SD 3.57Å; I47-M67 VanDerWaalsContact CD1-SD 3.57Å; I47-M67 HydrophobicContact CG2-CE 3.89Å; I47-M67 HydrophobicContact CG2-SD 4.03Å; L64-M67 HydrophobicContact CD2-SD 4.42Å; L64-M67 PolarHBondContact O-N 3.04Å; R65-M67 PolarHBondContact O-N 2.97Å
68L87.7Confident88.5Confident10 Ų1047.9 Ų47.95%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-114.9134.4-174.3-59.8173.4000109.9R38 P39 M56 C61 L64 R65 V70R38-L68 CarbonylContact O-C 3.44Å; R38-L68 WeakPolarHBondContact O-CA 3.36Å; P39-L68 HydrophobicContact CB-CD2 4.42Å; P39-L68 HydrophobicContact CG-CD2 4.07Å; M56-L68 HydrophobicContact CB-CD1 4.24Å; M56-L68 HydrophobicContact CG-CD1 4.4Å; M56-L68 HydrophobicContact CG-CD2 4.24Å; C61-L68 HydrophobicContact CB-CD1 3.99Å; L64-L68 HydrophobicContact CB-CD1 3.95Å; L64-L68 HydrophobicContact CB-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.49Å; R65-L68 PolarHBondContact O-N 3.26Å; R65-L68 VanDerWaalsContact O-O 3.13Å; L68-V70 HydrophobicContact CB-CG2 4.07Å; L68-V70 PolarHBondContact O-N 3.23Å
69H89.9Confident88.5Confident125 Ų12548.6 Ų48.658%0.57926%0.262SS*.EExtended strand (participates in β ladder)trans-75.1104.5157.3-177.1-81.4000108.1R38 I40R38-H69 PolarHBondContact N-O 2.93Å; R38-H69 PolarHBondContact O-N 3.39Å; I40-H69 HydrophobicContact CG1-CB 4.4Å
70V89.9Confident88.5Confident37 Ų3752.1 Ų52.122%0.22427%0.27CS..EExtended strand (participates in β ladder)trans-90.8124.5-177-178.60000110.6I35 V36 L68 Y72I35-V70 HydrophobicContact CB-CG1 3.8Å; I35-V70 HydrophobicContact CD1-CG1 4.33Å; I35-V70 HydrophobicContact CG2-CG1 4.01Å; V36-V70 WeakPolarHBondContact O-CA 3.41Å; L68-V70 HydrophobicContact CB-CG2 4.07Å; L68-V70 PolarHBondContact O-N 3.23Å; V70-Y72 HydrophobicContact CG1-CE2 4.49Å
71S92.2Very high88.7Confident19 Ų1955.2 Ų55.213%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-110.7157.717154.60000111.7I35 V36 R38 D84I35-S71 WeakPolarHBondContact CA-O 3.49Å; V36-S71 PolarHBondContact N-O 3.06Å; V36-S71 PolarHBondContact O-N 3.4Å; V36-S71 PolarHBondContact O-OG 2.86Å; R38-S71 PolarHBondContact NH1-OG 2.69Å; R38-S71 VanDerWaalsContact NH1-OG 3.14Å; S71-D84 WeakPolarHBondContact CB-OD2 3.43Å; S71-D84 PolarHBondContact OG-OD2 3.18Å
72Y93.3Very high89Confident79 Ų7957.8 Ų57.831%0.3129%0.294SS..  trans-116.7119.6176.3-62.8-93000108.3I35 V70 M74 R187I35-Y72 HydrophobicContact CG2-CD1 3.62Å; I35-Y72 HydrophobicContact CG2-CE1 3.3Å; V70-Y72 HydrophobicContact CG1-CE2 4.49Å; Y72-M74 PolarHBondContact O-N 3.39Å; Y72-R187 VanDerWaalsContact CD1-NH2 3.25Å
73P94.8Very high89.6Confident0 Ų060.9 Ų60.90%031%0.31CS..SBendtrans-67.9-23179.523.8-30.4000113.1S34 R80 H81 D84 M85 L88S34-P73 WeakPolarHBondContact O-CD 3.42Å; P73-R80 PolarHBondContact O-N 3.16Å; P73-H81 PolarHBondContact O-N 2.84Å; P73-D84 HydrophobicContact CB-CB 3.78Å; P73-M85 HydrophobicContact CB-CB 4.02Å; P73-M85 HydrophobicContact CB-SD 4.04Å; P73-M85 HydrophobicContact CG-SD 4.16Å; P73-L88 HydrophobicContact CG-CD2 3.83Å
74M93.7Very high90.5Very high4 Ų457.4 Ų57.42%0.0227%0.272CS..EExtended strand (participates in β ladder)trans-116.3142-178.8-68.6178.8-7800111.5N13 G14 T15 Y72 I78 V79 M85 L88N13-M74 HydrophobicContact CB-CE 4.31Å; N13-M74 HydrophobicContact CB-SD 4.01Å; G14-M74 WeakPolarHBondContact O-CE 3.34Å; T15-M74 HydrophobicContact CG2-CB 4.42Å; Y72-M74 PolarHBondContact O-N 3.39Å; M74-I78 CarbonylContact C-O 3.54Å; M74-I78 VanDerWaalsContact CA-O 3.29Å; M74-I78 WeakPolarHBondContact CA-O 3.34Å; M74-V79 HydrophobicContact CG-CG2 4Å; M74-M85 HydrophobicContact CE-CE 4.28Å; M74-M85 HydrophobicContact CE-SD 4.27Å; M74-M85 HydrophobicContact CG-SD 4.08Å; M74-M85 HydrophobicContact SD-CE 4.31Å; M74-M85 HydrophobicContact SD-SD 4.3Å; M74-L88 HydrophobicContact CE-CD2 4.29Å
75D91.3Very high91.2Very high71 Ų7157 Ų5738%0.3827%0.27SS..EExtended strand (participates in β ladder)trans-131.6123.7174.4-177.233.3000109.2G77 I78 R80D75-G77 VanDerWaalsContact C-N 3.26Å; D75-G77 PolarHBondContact O-N 3.01Å; D75-G77 VanDerWaalsContact O-N 3.17Å; D75-I78 PolarHBondContact N-O 2.77Å; D75-I78 PolarHBondContact O-N 3.2Å; D75-R80 HydrophobicContact CB-CG 3.64Å
76N90.5Very high92Very high28 Ų2855 Ų5515%0.1527%0.265CS..THydrogen-bonded Turntrans43.549-176.8-58.8-7.9000113.9I78 G162 V163 R181 D183N76-I78 VanDerWaalsContact C-N 3.28Å; N76-I78 PolarHBondContact O-N 3.43Å; N76-G162 VanDerWaalsContact CG-O 3.23Å; N76-G162 PolarHBondContact OD1-O 3.12Å; N76-V163 HydrophobicContact CB-CB 4.29Å; N76-R181 PolarHBondContact O-NH1 3.17Å; N76-D183 PolarHBondContact ND2-OD2 3.26Å; N76-D183 VanDerWaalsContact ND2-OD2 3.15Å
77G87.5Confident92.8Very high10 Ų1049 Ų4910%0.10324%0.238CC..THydrogen-bonded Turntrans82.3-10.5-179.900000115.6T15 D75 P112T15-G77 VanDerWaalsContact OG1-CA 3.26Å; T15-G77 WeakPolarHBondContact OG1-CA 3.47Å; T15-G77 PolarHBondContact OG1-N 2.72Å; D75-G77 VanDerWaalsContact C-N 3.26Å; D75-G77 PolarHBondContact O-N 3.01Å; D75-G77 VanDerWaalsContact O-N 3.17Å; G77-P112 WeakPolarHBondContact O-CG 3.32Å
78I90.8Very high93.4Very high20 Ų2044.6 Ų44.610%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-103.6131.9-173.4-66.9175.9000110.2M74 D75 N76 R80 N119M74-I78 CarbonylContact C-O 3.54Å; M74-I78 VanDerWaalsContact CA-O 3.29Å; M74-I78 WeakPolarHBondContact CA-O 3.34Å; D75-I78 PolarHBondContact N-O 2.77Å; D75-I78 PolarHBondContact O-N 3.2Å; N76-I78 VanDerWaalsContact C-N 3.28Å; N76-I78 PolarHBondContact O-N 3.43Å; I78-R80 PolarHBondContact O-N 3.23Å; I78-N119 WeakPolarHBondContact CG2-ND2 3.38Å
79V93.6Very high93.9Very high15 Ų1544.1 Ų44.19%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-66.9122.7172.2-176.80000109.6M74 W82 M85M74-V79 HydrophobicContact CG-CG2 4Å; V79-W82 HydrophobicContact CB-CH2 4.32Å; V79-W82 HydrophobicContact CB-CZ2 4.14Å; V79-W82 HydrophobicContact CG1-CD2 3.82Å; V79-W82 HydrophobicContact CG1-CE3 4.03Å; V79-W82 HydrophobicContact CG1-CG 4.28Å; V79-W82 HydrophobicContact CG1-CH2 4.37Å; V79-W82 HydrophobicContact CG1-CZ2 4.17Å; V79-W82 HydrophobicContact CG1-CZ3 4.32Å; V79-M85 HydrophobicContact CG1-CB 3.85Å; V79-M85 HydrophobicContact CG1-CG 3.98Å; V79-M85 HydrophobicContact CG1-SD 4.5Å; V79-M85 HydrophobicContact CG2-CG 4.2Å; V79-M85 HydrophobicContact CG2-SD 4.11Å
80R93.5Very high94.2Very high140 Ų14041.2 Ų41.253%0.52820%0.203SC..  trans-107.7-34.5177.4-62.7-58.8-170.1176.22.4112.6P73 D75 I78P73-R80 PolarHBondContact O-N 3.16Å; D75-R80 HydrophobicContact CB-CG 3.64Å; I78-R80 PolarHBondContact O-N 3.23Å
81H95.1Very high94.6Very high107 Ų10740.4 Ų40.450%0.49520%0.196SC..  trans-12197.6-177.9-57.8-72.4000109.8P73 D83 D84 M85P73-H81 PolarHBondContact O-N 2.84Å; H81-D83 VanDerWaalsContact C-N 3.32Å; H81-D83 PolarHBondContact O-N 3.37Å; H81-D84 HydrophobicContact CB-CB 4.04Å; H81-D84 PolarHBondContact O-N 2.88Å; H81-M85 WeakPolarHBondContact O-CB 3.38Å; H81-M85 PolarHBondContact O-N 3.47Å
82W95.4Very high94.8Very high55 Ų5539.5 Ų39.521%0.20819%0.19CC..Hα-helixtrans-66.9-31.9-176.2-71.896.4000113.3V79 M85 T86 W89 N119 R122 M123V79-W82 HydrophobicContact CB-CH2 4.32Å; V79-W82 HydrophobicContact CB-CZ2 4.14Å; V79-W82 HydrophobicContact CG1-CD2 3.82Å; V79-W82 HydrophobicContact CG1-CE3 4.03Å; V79-W82 HydrophobicContact CG1-CG 4.28Å; V79-W82 HydrophobicContact CG1-CH2 4.37Å; V79-W82 HydrophobicContact CG1-CZ2 4.17Å; V79-W82 HydrophobicContact CG1-CZ3 4.32Å; W82-M85 PolarHBondContact O-N 3.46Å; W82-T86 VanDerWaalsContact O-CB 3.3Å; W82-T86 WeakPolarHBondContact O-CB 3.27Å; W82-T86 PolarHBondContact O-N 3.22Å; W82-T86 PolarHBondContact O-OG1 3.44Å; W82-W89 HydrophobicContact CE3-CH2 4.33Å; W82-W89 HydrophobicContact CE3-CZ3 4.43Å; W82-W89 AromaticContact CZ3-CH2 3.9Å; W82-W89 HydrophobicContact CZ3-CH2 3.9Å; W82-W89 HydrophobicContact CZ3-CZ3 4.38Å; W82-N119 HydrophobicContact CH2-CB 4.43Å; W82-N119 WeakPolarHBondContact CH2-O 3.46Å; W82-N119 HydrophobicContact CZ2-CB 4.16Å; W82-R122 HydrophobicContact CD2-CG 3.68Å; W82-R122 HydrophobicContact CE3-CG 3.56Å; W82-R122 HydrophobicContact CH2-CB 3.53Å; W82-R122 HydrophobicContact CH2-CG 3.49Å; W82-R122 VanDerWaalsContact CH2-CG 3.49Å; W82-R122 HydrophobicContact CZ2-CB 3.71Å; W82-R122 HydrophobicContact CZ2-CG 3.61Å; W82-R122 HydrophobicContact CZ3-CB 3.95Å; W82-R122 HydrophobicContact CZ3-CG 3.44Å; W82-R122 VanDerWaalsContact CZ3-CG 3.44Å; W82-M123 HydrophobicContact CH2-CG 3.88Å; W82-M123 HydrophobicContact CZ3-CG 4.03Å
83D96.4Very high95.1Very high131 Ų13136.1 Ų36.170%0.70118%0.176SC*.Hα-helixtrans-65.7-45.9176.4-59.3-25.5000110.9H81 M85 T86 L87H81-D83 VanDerWaalsContact C-N 3.32Å; H81-D83 PolarHBondContact O-N 3.37Å; D83-M85 VanDerWaalsContact C-N 3.33Å; D83-M85 PolarHBondContact O-N 3.32Å; D83-T86 WeakPolarHBondContact O-CB 3.42Å; D83-T86 PolarHBondContact O-N 2.91Å; D83-L87 WeakPolarHBondContact O-CG 3.29Å; D83-L87 PolarHBondContact O-N 3.41Å
84D96.9Very high95.2Very high10 Ų1036.9 Ų36.95%0.05318%0.184CC..Hα-helixtrans-66.6-36.1175.3-76.37.3000111.8V36 R38 S71 P73 H81 T86 L87 L88V36-D84 HydrophobicContact CB-CB 4.43Å; V36-D84 HydrophobicContact CG2-CB 3.91Å; R38-D84 IonicContact CZ-OD1 2.75Å; R38-D84 VanDerWaalsContact CZ-OD1 3.3Å; R38-D84 IonicContact NH1-OD1 2.91Å; R38-D84 PolarHBondContact NH1-OD1 2.95Å; R38-D84 VanDerWaalsContact NH1-OD1 3.07Å; R38-D84 IonicContact NH1-OD2 2.8Å; R38-D84 PolarHBondContact NH1-OD2 2.95Å; R38-D84 IonicContact NH2-OD1 2.76Å; R38-D84 PolarHBondContact NH2-OD1 2.89Å; S71-D84 WeakPolarHBondContact CB-OD2 3.43Å; S71-D84 PolarHBondContact OG-OD2 3.18Å; P73-D84 HydrophobicContact CB-CB 3.78Å; H81-D84 HydrophobicContact CB-CB 4.04Å; H81-D84 PolarHBondContact O-N 2.88Å; D84-T86 VanDerWaalsContact C-N 3.27Å; D84-T86 PolarHBondContact O-N 3.39Å; D84-L87 PolarHBondContact O-N 3.05Å; D84-L88 WeakPolarHBondContact O-CB 3.41Å; D84-L88 PolarHBondContact O-N 3.46Å
85M97.1Very high95.2Very high1 Ų141.2 Ų41.21%0.00521%0.213CC..Hα-helixtrans-64.4-37.5175.2-166.167.5-163.500111.2N13 P73 M74 V79 H81 W82 D83 L88 W89N13-M85 HydrophobicContact CB-CE 3.97Å; N13-M85 WeakPolarHBondContact OD1-CE 3.37Å; P73-M85 HydrophobicContact CB-CB 4.02Å; P73-M85 HydrophobicContact CB-SD 4.04Å; P73-M85 HydrophobicContact CG-SD 4.16Å; M74-M85 HydrophobicContact CE-CE 4.28Å; M74-M85 HydrophobicContact CE-SD 4.27Å; M74-M85 HydrophobicContact CG-SD 4.08Å; M74-M85 HydrophobicContact SD-CE 4.31Å; M74-M85 HydrophobicContact SD-SD 4.3Å; V79-M85 HydrophobicContact CG1-CB 3.85Å; V79-M85 HydrophobicContact CG1-CG 3.98Å; V79-M85 HydrophobicContact CG1-SD 4.5Å; V79-M85 HydrophobicContact CG2-CG 4.2Å; V79-M85 HydrophobicContact CG2-SD 4.11Å; H81-M85 WeakPolarHBondContact O-CB 3.38Å; H81-M85 PolarHBondContact O-N 3.47Å; W82-M85 PolarHBondContact O-N 3.46Å; D83-M85 VanDerWaalsContact C-N 3.33Å; D83-M85 PolarHBondContact O-N 3.32Å; M85-L88 HydrophobicContact CE-CD2 4.32Å; M85-L88 WeakPolarHBondContact O-CB 3.35Å; M85-L88 PolarHBondContact O-N 3.35Å; M85-L88 HydrophobicContact SD-CD2 4.12Å; M85-W89 HydrophobicContact CB-CZ3 4.36Å; M85-W89 HydrophobicContact CE-CD2 4.31Å; M85-W89 VanDerWaalsContact CE-CE2 3.42Å; M85-W89 HydrophobicContact CE-CH2 4.39Å; M85-W89 HydrophobicContact CE-CZ2 3.48Å; M85-W89 VanDerWaalsContact CE-CZ2 3.48Å; M85-W89 HydrophobicContact CG-CD2 4.08Å; M85-W89 HydrophobicContact CG-CE3 4.04Å; M85-W89 HydrophobicContact CG-CH2 3.53Å; M85-W89 HydrophobicContact CG-CZ2 3.58Å; M85-W89 HydrophobicContact CG-CZ3 3.76Å; M85-W89 PolarHBondContact O-N 2.74Å; M85-W89 HydrophobicContact SD-CZ2 4.41Å
86T97.1Very high95.3Very high26 Ų2642 Ų4216%0.1621%0.214CC..Hα-helixtrans-65.4-42.6176.9-640000111.5W82 D83 D84 L88 W89 D90 K130 Y131W82-T86 VanDerWaalsContact O-CB 3.3Å; W82-T86 WeakPolarHBondContact O-CB 3.27Å; W82-T86 PolarHBondContact O-N 3.22Å; W82-T86 PolarHBondContact O-OG1 3.44Å; D83-T86 WeakPolarHBondContact O-CB 3.42Å; D83-T86 PolarHBondContact O-N 2.91Å; D84-T86 VanDerWaalsContact C-N 3.27Å; D84-T86 PolarHBondContact O-N 3.39Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 3.26Å; T86-W89 PolarHBondContact O-N 2.53Å; T86-D90 PolarHBondContact O-N 2.97Å; T86-K130 HydrophobicContact CG2-CD 3.65Å; T86-Y131 PolarHBondContact O-OH 3.47Å; T86-Y131 VanDerWaalsContact O-OH 3.05Å
87L97.2Very high95.5Very high49 Ų4941.1 Ų41.126%0.25721%0.209SC..Hα-helixtrans-62-38.3171.9-67.5166.5000111.9V36 V55 V57 D83 D84 D90 Y91V36-L87 HydrophobicContact CG1-CD1 4.05Å; V36-L87 HydrophobicContact CG2-CB 4.43Å; V55-L87 HydrophobicContact CG1-CD1 3.83Å; V55-L87 HydrophobicContact CG1-CD2 4.31Å; V57-L87 HydrophobicContact CG2-CB 4.32Å; D83-L87 WeakPolarHBondContact O-CG 3.29Å; D83-L87 PolarHBondContact O-N 3.41Å; D84-L87 PolarHBondContact O-N 3.05Å; L87-D90 PolarHBondContact O-N 2.99Å; L87-Y91 PolarHBondContact O-N 3.4Å
88L97.2Very high95.9Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-64.3-40.3175.8-168.465.8000112.1V18 F32 V57 P73 M74 D84 M85 T86 Y91 T92V18-L88 HydrophobicContact CG2-CD1 4.22Å; V18-L88 HydrophobicContact CG2-CD2 3.62Å; V18-L88 HydrophobicContact CG2-CG 3.97Å; F32-L88 HydrophobicContact CD2-CD1 4.25Å; F32-L88 HydrophobicContact CE2-CD1 3.7Å; F32-L88 HydrophobicContact CE2-CG 4.38Å; V57-L88 HydrophobicContact CG1-CD1 3.67Å; P73-L88 HydrophobicContact CG-CD2 3.83Å; M74-L88 HydrophobicContact CE-CD2 4.29Å; D84-L88 WeakPolarHBondContact O-CB 3.41Å; D84-L88 PolarHBondContact O-N 3.46Å; M85-L88 HydrophobicContact CE-CD2 4.32Å; M85-L88 WeakPolarHBondContact O-CB 3.35Å; M85-L88 PolarHBondContact O-N 3.35Å; M85-L88 HydrophobicContact SD-CD2 4.12Å; T86-L88 VanDerWaalsContact C-N 3.29Å; T86-L88 PolarHBondContact O-N 3.26Å; L88-Y91 PolarHBondContact O-N 2.7Å; L88-T92 WeakPolarHBondContact O-CB 3.06Å; L88-T92 PolarHBondContact O-N 2.75Å; L88-T92 PolarHBondContact O-OG1 3.47Å
89W97.9Very high96.2Very high0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-70.1-38.9174.5-73-38.1000112.9N13 W82 M85 T86 Y91 T92 F93 M123 V126 M127 Y131N13-W89 PolarHBondContact OD1-NE1 2.9Å; W82-W89 HydrophobicContact CE3-CH2 4.33Å; W82-W89 HydrophobicContact CE3-CZ3 4.43Å; W82-W89 AromaticContact CZ3-CH2 3.9Å; W82-W89 HydrophobicContact CZ3-CH2 3.9Å; W82-W89 HydrophobicContact CZ3-CZ3 4.38Å; M85-W89 HydrophobicContact CB-CZ3 4.36Å; M85-W89 HydrophobicContact CE-CD2 4.31Å; M85-W89 VanDerWaalsContact CE-CE2 3.42Å; M85-W89 HydrophobicContact CE-CH2 4.39Å; M85-W89 HydrophobicContact CE-CZ2 3.48Å; M85-W89 VanDerWaalsContact CE-CZ2 3.48Å; M85-W89 HydrophobicContact CG-CD2 4.08Å; M85-W89 HydrophobicContact CG-CE3 4.04Å; M85-W89 HydrophobicContact CG-CH2 3.53Å; M85-W89 HydrophobicContact CG-CZ2 3.58Å; M85-W89 HydrophobicContact CG-CZ3 3.76Å; M85-W89 PolarHBondContact O-N 2.74Å; M85-W89 HydrophobicContact SD-CZ2 4.41Å; T86-W89 PolarHBondContact O-N 2.53Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.91Å; W89-T92 WeakPolarHBondContact O-CB 3.37Å; W89-T92 PolarHBondContact O-N 2.92Å; W89-F93 HydrophobicContact CB-CD2 4.31Å; W89-F93 HydrophobicContact CB-CE2 3.9Å; W89-F93 HydrophobicContact CG-CE2 4.31Å; W89-F93 WeakPolarHBondContact O-CD2 3.27Å; W89-F93 WeakPolarHBondContact O-CG 2.95Å; W89-F93 PolarHBondContact O-N 3.43Å; W89-M123 HydrophobicContact CH2-CG 4.24Å; W89-M123 HydrophobicContact CZ2-CG 4.44Å; W89-V126 HydrophobicContact CE3-CG1 3.98Å; W89-V126 HydrophobicContact CZ3-CB 4.28Å; W89-V126 HydrophobicContact CZ3-CG1 3.76Å; W89-M127 HydrophobicContact CD2-CE 3.47Å; W89-M127 VanDerWaalsContact CD2-CE 3.47Å; W89-M127 VanDerWaalsContact CE2-CE 3.4Å; W89-M127 HydrophobicContact CE3-CE 3.7Å; W89-M127 HydrophobicContact CG-CE 4.06Å; W89-M127 HydrophobicContact CH2-CE 3.84Å; W89-M127 HydrophobicContact CZ2-CE 3.6Å; W89-M127 HydrophobicContact CZ3-CE 3.89Å; W89-Y131 HydrophobicContact CB-CE2 4Å; W89-Y131 WeakPolarHBondContact CB-OH 3.45Å; W89-Y131 HydrophobicContact CE3-CE2 4.23Å
90D97.4Very high96.4Very high63 Ų6345.7 Ų45.734%0.33723%0.231SC..Hα-helixtrans-57-45.7172.5-67.4-16.2000110.3T86 L87 T92 G94 K130 Y131T86-D90 PolarHBondContact O-N 2.97Å; L87-D90 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact C-N 3.35Å; D90-T92 PolarHBondContact O-N 3.49Å; D90-G94 WeakPolarHBondContact O-CA 3.39Å; D90-G94 PolarHBondContact O-N 2.73Å; D90-K130 IonicContact OD1-NZ 2.66Å; D90-K130 PolarHBondContact OD1-NZ 2.88Å; D90-K130 IonicContact OD2-NZ 3.17Å; D90-K130 PolarHBondContact OD2-NZ 2.76Å; D90-Y131 PolarHBondContact N-OH 3.28Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.44Å; D90-Y131 VanDerWaalsContact OD1-CZ 3.28Å; D90-Y131 PolarHBondContact OD1-OH 3.11Å
91Y97Very high96.5Very high21 Ų2142.4 Ų42.48%0.08222%0.224CC..Hα-helixtrans-62.9-39173.3-175.3-109.5000112.6F32 V57 N59 E60 L87 L88 W89 E96 N97F32-Y91 HydrophobicContact CB-CE1 4.33Å; F32-Y91 HydrophobicContact CD1-CE1 4.14Å; F32-Y91 AromaticContact CD2-CD1 3.87Å; F32-Y91 HydrophobicContact CD2-CD1 3.87Å; F32-Y91 AromaticContact CD2-CE1 3.75Å; F32-Y91 HydrophobicContact CD2-CE1 3.75Å; F32-Y91 HydrophobicContact CE1-CD1 4.4Å; F32-Y91 HydrophobicContact CE1-CE1 4.4Å; F32-Y91 AromaticContact CE2-CD1 3.67Å; F32-Y91 HydrophobicContact CE2-CD1 3.67Å; F32-Y91 HydrophobicContact CE2-CE1 4.03Å; F32-Y91 HydrophobicContact CG-CD1 4.31Å; F32-Y91 AromaticContact CG-CE1 3.81Å; F32-Y91 HydrophobicContact CG-CE1 3.81Å; F32-Y91 AromaticContact CZ-CD1 3.96Å; F32-Y91 HydrophobicContact CZ-CD1 3.96Å; F32-Y91 HydrophobicContact CZ-CE1 4.35Å; V57-Y91 HydrophobicContact CB-CD1 4.26Å; V57-Y91 HydrophobicContact CB-CD2 3.98Å; V57-Y91 HydrophobicContact CB-CG 3.77Å; V57-Y91 VanDerWaalsContact CG1-CB 3.47Å; V57-Y91 HydrophobicContact CG1-CD1 3.79Å; V57-Y91 HydrophobicContact CG1-CD2 4.35Å; V57-Y91 HydrophobicContact CG1-CG 3.62Å; N59-Y91 PolarHBondContact N-OH 3.29Å; E60-Y91 HydrophobicContact CG-CE2 3.89Å; L87-Y91 PolarHBondContact O-N 3.4Å; L88-Y91 PolarHBondContact O-N 2.7Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.91Å; Y91-E96 HydrophobicContact CD2-CB 4.25Å; Y91-E96 HydrophobicContact CE2-CB 3.75Å; Y91-E96 HydrophobicContact CE2-CG 4.16Å; Y91-N97 WeakPolarHBondContact CD1-ND2 3.29Å; Y91-N97 WeakPolarHBondContact CE1-ND2 3.39Å; Y91-N97 VanDerWaalsContact CZ-ND2 3.3Å; Y91-N97 WeakPolarHBondContact O-CB 3.35Å; Y91-N97 PolarHBondContact O-ND2 3.06Å
92T98Very high96.6Very high0 Ų038.2 Ų38.20%021%0.206CC..Hα-helixtrans-62.8-46.8180-55.40000111.9V11 V18 C20 F32 L88 W89 D90 N97 L98V11-T92 HydrophobicContact CG1-CG2 4.43Å; V11-T92 HydrophobicContact CG2-CG2 4.2Å; V18-T92 HydrophobicContact CG1-CG2 4.49Å; C20-T92 HydrophobicContact CB-CG2 3.96Å; F32-T92 HydrophobicContact CZ-CG2 4.29Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.44Å; L88-T92 WeakPolarHBondContact O-CB 3.06Å; L88-T92 PolarHBondContact O-N 2.75Å; L88-T92 PolarHBondContact O-OG1 3.47Å; W89-T92 WeakPolarHBondContact O-CB 3.37Å; W89-T92 PolarHBondContact O-N 2.92Å; D90-T92 VanDerWaalsContact C-N 3.35Å; D90-T92 PolarHBondContact O-N 3.49Å; T92-N97 WeakPolarHBondContact O-CB 3.31Å; T92-L98 HydrophobicContact CG2-CD1 4.28Å; T92-L98 WeakPolarHBondContact O-CB 3.44Å; T92-L98 WeakPolarHBondContact O-CG 3.43Å; T92-L98 PolarHBondContact O-N 3.11Å
93F98Very high96.6Very high7 Ų737.7 Ų37.73%0.03121%0.211CC..Hα-helixtrans-88.9-21.1-174.9-54.3-43000113.1V11 W89 L98 I100 P102 L107 M127 Y131 F133V11-F93 HydrophobicContact CG2-CE1 3.94Å; V11-F93 HydrophobicContact CG2-CZ 4.5Å; W89-F93 HydrophobicContact CB-CD2 4.31Å; W89-F93 HydrophobicContact CB-CE2 3.9Å; W89-F93 HydrophobicContact CG-CE2 4.31Å; W89-F93 WeakPolarHBondContact O-CD2 3.27Å; W89-F93 WeakPolarHBondContact O-CG 2.95Å; W89-F93 PolarHBondContact O-N 3.43Å; F93-L98 HydrophobicContact CD1-CD1 4.31Å; F93-I100 HydrophobicContact CB-CD1 4.33Å; F93-I100 HydrophobicContact CB-CG1 4.03Å; F93-I100 HydrophobicContact CD1-CD1 3.82Å; F93-I100 HydrophobicContact CD1-CG1 4.42Å; F93-I100 HydrophobicContact CG-CD1 4.36Å; F93-I100 PolarHBondContact O-N 3.14Å; F93-I100 VanDerWaalsContact O-N 3.15Å; F93-P102 HydrophobicContact CB-CG 4.18Å; F93-P102 HydrophobicContact CD2-CG 4.4Å; F93-P102 HydrophobicContact CG-CG 4.38Å; F93-L107 HydrophobicContact CE1-CD1 4.36Å; F93-L107 HydrophobicContact CZ-CD1 4.48Å; F93-L107 HydrophobicContact CZ-CD2 4.17Å; F93-M127 HydrophobicContact CE2-SD 4.31Å; F93-M127 HydrophobicContact CZ-SD 4.35Å; F93-Y131 AromaticContact CD2-CD1 3.85Å; F93-Y131 HydrophobicContact CD2-CD1 3.85Å; F93-Y131 AromaticContact CD2-CE1 3.78Å; F93-Y131 HydrophobicContact CD2-CE1 3.78Å; F93-Y131 HydrophobicContact CD2-CG 4.34Å; F93-Y131 HydrophobicContact CE2-CD1 4.21Å; F93-Y131 HydrophobicContact CE2-CD2 4.28Å; F93-Y131 HydrophobicContact CE2-CE1 4.21Å; F93-Y131 HydrophobicContact CE2-CE2 4.27Å; F93-Y131 HydrophobicContact CE2-CG 4.26Å; F93-F133 HydrophobicContact CD1-CZ 4.19Å; F93-F133 HydrophobicContact CD2-CE2 4.35Å; F93-F133 HydrophobicContact CD2-CZ 4.27Å; F93-F133 HydrophobicContact CE1-CE2 4.42Å; F93-F133 AromaticContact CE1-CZ 3.79Å; F93-F133 HydrophobicContact CE1-CZ 3.79Å; F93-F133 AromaticContact CE2-CE2 3.75Å; F93-F133 HydrophobicContact CE2-CE2 3.75Å; F93-F133 AromaticContact CE2-CZ 3.88Å; F93-F133 HydrophobicContact CE2-CZ 3.88Å; F93-F133 HydrophobicContact CG-CZ 4.42Å; F93-F133 AromaticContact CZ-CE2 3.8Å; F93-F133 HydrophobicContact CZ-CE2 3.8Å; F93-F133 AromaticContact CZ-CZ 3.63Å; F93-F133 HydrophobicContact CZ-CZ 3.63Å
94G96.8Very high96.6Very high16 Ų1637.5 Ų37.517%0.16521%0.206CC..SBendtrans-68.4178.2-17900000115.1D90 E96 N97 L98 D99D90-G94 WeakPolarHBondContact O-CA 3.39Å; D90-G94 PolarHBondContact O-N 2.73Å; G94-E96 PolarHBondContact O-N 2.9Å; G94-N97 PolarHBondContact O-N 3.49Å; G94-N97 VanDerWaalsContact O-N 3.16Å; G94-L98 PolarHBondContact O-N 3.49Å; G94-D99 PolarHBondContact O-N 3.11Å
95P95Very high96.6Very high95 Ų9537.2 Ų37.262%0.61720%0.204SC*.THydrogen-bonded Turntrans-65.2-24-171.225.8-34.2000113.6N97P95-N97 VanDerWaalsContact C-N 3.25Å; P95-N97 PolarHBondContact O-N 3.09Å
96E92Very high96.6Very high89 Ų8937.2 Ų37.242%0.41620%0.204SC..THydrogen-bonded Turntrans-70.1-19.9178.1-6584.8174.700113.4K53 Y91 G94K53-E96 IonicContact NZ-OE1 3.48Å; Y91-E96 HydrophobicContact CD2-CB 4.25Å; Y91-E96 HydrophobicContact CE2-CB 3.75Å; Y91-E96 HydrophobicContact CE2-CG 4.16Å; G94-E96 PolarHBondContact O-N 2.9Å
97N95.7Very high96.6Very high9 Ų936 Ų365%0.04820%0.197CC..THydrogen-bonded Turntrans-124.4-88.3-176.2-72.7-75.3000113.5R30 F32 Y91 T92 G94 P95R30-N97 HydrophobicContact CG-CB 4.13Å; R30-N97 PolarHBondContact NE-O 3.22Å; F32-N97 WeakPolarHBondContact CD1-OD1 3.44Å; F32-N97 HydrophobicContact CE1-CB 4.48Å; F32-N97 WeakPolarHBondContact CE1-OD1 3.34Å; Y91-N97 WeakPolarHBondContact CD1-ND2 3.29Å; Y91-N97 WeakPolarHBondContact CE1-ND2 3.39Å; Y91-N97 VanDerWaalsContact CZ-ND2 3.3Å; Y91-N97 WeakPolarHBondContact O-CB 3.35Å; Y91-N97 PolarHBondContact O-ND2 3.06Å; T92-N97 WeakPolarHBondContact O-CB 3.31Å; G94-N97 PolarHBondContact O-N 3.49Å; G94-N97 VanDerWaalsContact O-N 3.16Å; P95-N97 VanDerWaalsContact C-N 3.25Å; P95-N97 PolarHBondContact O-N 3.09Å
98L96.5Very high96.6Very high8 Ų833.6 Ų33.64%0.04219%0.185CC..THydrogen-bonded Turntrans-89.3-23.1-172.5-67-179.3000113.4V9 C20 F22 T92 F93 G94 I100V9-L98 HydrophobicContact CG1-CD1 3.66Å; C20-L98 HydrophobicContact CB-CD1 4.07Å; C20-L98 HydrophobicContact CB-CD2 4.47Å; F22-L98 HydrophobicContact CE2-CD2 3.93Å; F22-L98 HydrophobicContact CZ-CB 4.36Å; F22-L98 HydrophobicContact CZ-CD2 3.98Å; T92-L98 HydrophobicContact CG2-CD1 4.28Å; T92-L98 WeakPolarHBondContact O-CB 3.44Å; T92-L98 WeakPolarHBondContact O-CG 3.43Å; T92-L98 PolarHBondContact O-N 3.11Å; F93-L98 HydrophobicContact CD1-CD1 4.31Å; G94-L98 PolarHBondContact O-N 3.49Å; L98-I100 HydrophobicContact CB-CG1 4.35Å; L98-I100 HydrophobicContact CB-CG2 4.07Å; L98-I100 HydrophobicContact CD1-CD1 4.44Å; L98-I100 WeakPolarHBondContact O-CG2 3.42Å
99D96.9Very high96.6Very high111 Ų11133.6 Ų33.659%0.59419%0.185SC*.  trans47.665.1-177.8-167.531000111.8G94G94-D99 PolarHBondContact O-N 3.11Å
100I96.5Very high96.5Very high22 Ų2233.8 Ų33.811%0.11319%0.185CC..  trans-123.6153.6-177.862.2171.9000111.4V9 F22 F93 L98 P102V9-I100 HydrophobicContact CG1-CD1 4.35Å; V9-I100 HydrophobicContact CG2-CD1 3.62Å; F22-I100 HydrophobicContact CE1-CG2 4.09Å; F22-I100 HydrophobicContact CZ-CG2 3.97Å; F93-I100 HydrophobicContact CB-CD1 4.33Å; F93-I100 HydrophobicContact CB-CG1 4.03Å; F93-I100 HydrophobicContact CD1-CD1 3.82Å; F93-I100 HydrophobicContact CD1-CG1 4.42Å; F93-I100 HydrophobicContact CG-CD1 4.36Å; F93-I100 PolarHBondContact O-N 3.14Å; F93-I100 VanDerWaalsContact O-N 3.15Å; L98-I100 HydrophobicContact CB-CG1 4.35Å; L98-I100 HydrophobicContact CB-CG2 4.07Å; L98-I100 HydrophobicContact CD1-CD1 4.44Å; L98-I100 WeakPolarHBondContact O-CG2 3.42Å; I100-P102 WeakPolarHBondContact O-CD 3.5Å
101N96.6Very high96.2Very high71 Ų7131.2 Ų31.238%0.3817%0.171SC..  trans-89.5108.1157.4-177.2-0.3000108.6S103 E104 C105N101-S103 VanDerWaalsContact CG-OG 3.24Å; N101-S103 PolarHBondContact ND2-OG 3.09Å; N101-S103 VanDerWaalsContact ND2-OG 3.15Å; N101-S103 PolarHBondContact O-N 3.19Å; N101-S103 PolarHBondContact OD1-N 3.41Å; N101-S103 PolarHBondContact OD1-OG 2.94Å; N101-E104 HydrophobicContact CB-CG 4.38Å; N101-E104 PolarHBondContact ND2-OE1 2.67Å; N101-E104 PolarHBondContact O-N 3.29Å; N101-E104 VanDerWaalsContact O-N 3.11Å; N101-C105 PolarHBondContact O-SG 3.15Å
102P96.8Very high95.9Very high19 Ų1930.7 Ų30.712%0.12317%0.171CC..G310 helixtrans-55.4-34-179.6-29.839.5000113.7F93 I100 E104 C105 Y131 F133F93-P102 HydrophobicContact CB-CG 4.18Å; F93-P102 HydrophobicContact CD2-CG 4.4Å; F93-P102 HydrophobicContact CG-CG 4.38Å; I100-P102 WeakPolarHBondContact O-CD 3.5Å; P102-E104 PolarHBondContact O-N 3.26Å; P102-E104 VanDerWaalsContact O-N 3.12Å; P102-C105 PolarHBondContact O-N 3.49Å; P102-Y131 WeakPolarHBondContact CB-O 3.1Å; P102-Y131 HydrophobicContact CG-CD1 4.24Å; P102-F133 HydrophobicContact CB-CD1 4.14Å; P102-F133 HydrophobicContact CB-CD2 4.1Å; P102-F133 HydrophobicContact CB-CE1 3.8Å; P102-F133 HydrophobicContact CB-CE2 3.75Å; P102-F133 HydrophobicContact CB-CG 4.29Å; P102-F133 HydrophobicContact CB-CZ 3.59Å; P102-F133 HydrophobicContact CG-CE2 4.49Å; P102-F133 HydrophobicContact CG-CZ 4.22Å; P102-F133 WeakPolarHBondContact O-CA 3.36Å; P102-F133 VanDerWaalsContact O-CD1 3.25Å; P102-F133 WeakPolarHBondContact O-CD1 3.15Å
103S95.5Very high95.3Very high44 Ų4431.2 Ų31.231%0.30817%0.174SC..G310 helixtrans-67.9-9.7-178.868.80000115N101 G132 Q134N101-S103 VanDerWaalsContact CG-OG 3.24Å; N101-S103 PolarHBondContact ND2-OG 3.09Å; N101-S103 VanDerWaalsContact ND2-OG 3.15Å; N101-S103 PolarHBondContact O-N 3.19Å; N101-S103 PolarHBondContact OD1-N 3.41Å; N101-S103 PolarHBondContact OD1-OG 2.94Å; S103-G132 WeakPolarHBondContact CA-O 3.46Å; S103-Q134 WeakPolarHBondContact O-CG 3.48Å; S103-Q134 PolarHBondContact O-NE2 3.23Å
104E95.5Very high94.7Very high126 Ų12635.5 Ų35.559%0.58920%0.197SC*.G310 helixtrans-107.25.6175.7-66.4170.8-156.200112.3R6 N101 P102R6-E104 WeakPolarHBondContact CB-O 3.26Å; N101-E104 HydrophobicContact CB-CG 4.38Å; N101-E104 PolarHBondContact ND2-OE1 2.67Å; N101-E104 PolarHBondContact O-N 3.29Å; N101-E104 VanDerWaalsContact O-N 3.11Å; P102-E104 PolarHBondContact O-N 3.26Å; P102-E104 VanDerWaalsContact O-N 3.12Å
105C97.2Very high94.2Very high4 Ų435.3 Ų35.33%0.02719%0.192CC..EExtended strand (participates in β ladder)trans-119.3159.3-171.2-63.50000112.9R7 V9 N101 P102 F133 Q134R7-C105 WeakPolarHBondContact O-CA 3.39Å; V9-C105 HydrophobicContact CG2-CB 4.03Å; N101-C105 PolarHBondContact O-SG 3.15Å; P102-C105 PolarHBondContact O-N 3.49Å; C105-F133 HydrophobicContact CB-CD1 4.01Å; C105-F133 HydrophobicContact CB-CE1 3.92Å; C105-Q134 WeakPolarHBondContact O-CB 3.27Å; C105-Q134 PolarHBondContact O-N 3.03Å
106K97.4Very high93.9Very high1 Ų133.5 Ų33.50%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-101.1150.5158.5-69.6175.5167.3166.10109.4D2 R7 V8 V9 G135 R366 W372 Y374D2-K106 VanDerWaalsContact OD2-CE 3.25Å; D2-K106 WeakPolarHBondContact OD2-CE 3.46Å; D2-K106 IonicContact OD2-NZ 3.86Å; D2-K106 PolarHBondContact OD2-NZ 3.08Å; R7-K106 PolarHBondContact O-N 3.13Å; V8-K106 HydrophobicContact CG1-CB 4.34Å; V8-K106 HydrophobicContact CG2-CB 4.34Å; V9-K106 PolarHBondContact N-O 3.49Å; K106-G135 CarbonylContact C-O 3.57Å; K106-G135 VanDerWaalsContact CA-O 3.25Å; K106-G135 WeakPolarHBondContact CA-O 3.45Å; K106-R366 PolarHBondContact NZ-O 2.92Å; K106-W372 HydrophobicContact CB-CE3 4.21Å; K106-W372 HydrophobicContact CB-CH2 4.31Å; K106-W372 HydrophobicContact CB-CZ3 4.08Å; K106-W372 HydrophobicContact CD-CD2 4.01Å; K106-W372 HydrophobicContact CD-CE3 4.47Å; K106-W372 HydrophobicContact CD-CG 4.27Å; K106-W372 HydrophobicContact CD-CZ2 4.44Å; K106-Y374 PolarHBondContact NZ-OH 2.75Å
107L98.1Very high93.8Very high0 Ų033.5 Ų33.50%018%0.183CC..EExtended strand (participates in β ladder)trans-131124.2-176.717666.4000111.9V9 V11 F93 L109 M127 F133 G135 V136 H137 W372V9-L107 HydrophobicContact CB-CD1 3.98Å; V9-L107 HydrophobicContact CG1-CD1 3.91Å; V9-L107 WeakPolarHBondContact O-CA 3.35Å; V11-L107 HydrophobicContact CB-CD1 4.27Å; V11-L107 HydrophobicContact CG2-CD1 3.69Å; F93-L107 HydrophobicContact CE1-CD1 4.36Å; F93-L107 HydrophobicContact CZ-CD1 4.48Å; F93-L107 HydrophobicContact CZ-CD2 4.17Å; L107-L109 HydrophobicContact CD1-CG 4.42Å; L107-L109 HydrophobicContact CD2-CD1 3.79Å; L107-L109 HydrophobicContact CD2-CD2 4.1Å; L107-L109 HydrophobicContact CD2-CG 3.73Å; L107-L109 HydrophobicContact CG-CD1 4.41Å; L107-L109 HydrophobicContact CG-CD2 4.47Å; L107-L109 HydrophobicContact CG-CG 3.93Å; L107-M127 HydrophobicContact CD2-CG 3.83Å; L107-M127 HydrophobicContact CD2-SD 3.38Å; L107-M127 WeakPolarHBondContact CD2-SD 3.11Å; L107-F133 HydrophobicContact CB-CD1 3.69Å; L107-F133 HydrophobicContact CB-CD2 4.4Å; L107-F133 HydrophobicContact CB-CE1 3.74Å; L107-F133 HydrophobicContact CB-CE2 4.45Å; L107-F133 HydrophobicContact CB-CG 4.04Å; L107-F133 HydrophobicContact CB-CZ 4.13Å; L107-F133 HydrophobicContact CD1-CZ 4.44Å; L107-F133 HydrophobicContact CD2-CD2 3.95Å; L107-F133 HydrophobicContact CD2-CE1 4.31Å; L107-F133 HydrophobicContact CD2-CE2 3.64Å; L107-F133 HydrophobicContact CD2-CG 4.42Å; L107-F133 HydrophobicContact CD2-CZ 3.83Å; L107-F133 HydrophobicContact CG-CE1 4.43Å; L107-F133 HydrophobicContact CG-CZ 4.36Å; L107-G135 PolarHBondContact N-O 3.32Å; L107-V136 CarbonylContact O-C 3.47Å; L107-V136 VanDerWaalsContact O-CA 3.32Å; L107-V136 WeakPolarHBondContact O-CA 3.37Å; L107-H137 PolarHBondContact O-N 3.15Å; L107-W372 WeakPolarHBondContact O-CZ3 3.33Å
108L97.7Very high93.7Very high0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-100.2117.4163.5-171.9153000109.3V9 V10 V11 T110 H137 A139 L144 L361 A362 F371 W372V9-L108 PolarHBondContact O-N 3.12Å; V10-L108 WeakPolarHBondContact CA-O 3.24Å; V10-L108 HydrophobicContact CG1-CD2 4.19Å; V10-L108 HydrophobicContact CG2-CB 4.36Å; V11-L108 PolarHBondContact N-O 3Å; L108-T110 HydrophobicContact CD2-CG2 4.42Å; L108-H137 WeakPolarHBondContact CA-O 3.37Å; L108-A139 HydrophobicContact CD2-CB 4.3Å; L108-L144 HydrophobicContact CD2-CD1 4.34Å; L108-L361 HydrophobicContact CD1-CD2 4.22Å; L108-L361 HydrophobicContact CD1-CG 4.41Å; L108-A362 HydrophobicContact CB-CB 4.31Å; L108-A362 HydrophobicContact CD1-CB 3.99Å; L108-F371 HydrophobicContact CD1-CE1 4.32Å; L108-F371 HydrophobicContact CD1-CZ 4.1Å; L108-W372 HydrophobicContact CB-CH2 4.26Å; L108-W372 HydrophobicContact CB-CZ3 4.35Å
109L96.9Very high93.5Very high0 Ų041.5 Ų41.50%022%0.218CC..EExtended strand (participates in β ladder)trans-98.8150.9171.9-73.8161000110.4V11 N13 L107 M127 V136 H137 V138 A139V11-L109 HydrophobicContact CB-CD2 3.98Å; V11-L109 HydrophobicContact CG1-CD2 4.26Å; N13-L109 VanDerWaalsContact ND2-CD2 3.3Å; N13-L109 WeakPolarHBondContact ND2-CD2 3.27Å; L107-L109 HydrophobicContact CD1-CG 4.42Å; L107-L109 HydrophobicContact CD2-CD1 3.79Å; L107-L109 HydrophobicContact CD2-CD2 4.1Å; L107-L109 HydrophobicContact CD2-CG 3.73Å; L107-L109 HydrophobicContact CG-CD1 4.41Å; L107-L109 HydrophobicContact CG-CD2 4.47Å; L107-L109 HydrophobicContact CG-CG 3.93Å; L109-M127 HydrophobicContact CD1-CE 4.09Å; L109-M127 HydrophobicContact CD1-CG 3.69Å; L109-M127 HydrophobicContact CD1-SD 4.19Å; L109-V136 HydrophobicContact CD1-CG1 4.46Å; L109-H137 PolarHBondContact N-O 3.02Å; L109-V138 HydrophobicContact CB-CG2 4.38Å; L109-V138 WeakPolarHBondContact O-CA 3.46Å; L109-A139 PolarHBondContact O-N 2.88Å
110T94.6Very high93.3Very high3 Ų337.4 Ų37.42%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-102.8152.2168.977.30000111V11 D12 L108 A139 Q141 L144 V354V11-T110 PolarHBondContact O-N 3.37Å; V11-T110 VanDerWaalsContact O-N 3.13Å; D12-T110 WeakPolarHBondContact CA-OG1 3.32Å; D12-T110 HydrophobicContact CB-CG2 4.11Å; D12-T110 PolarHBondContact OD1-OG1 2.94Å; L108-T110 HydrophobicContact CD2-CG2 4.42Å; T110-A139 CarbonylContact C-O 3.55Å; T110-A139 VanDerWaalsContact CA-O 3.29Å; T110-A139 WeakPolarHBondContact CA-O 3.17Å; T110-Q141 PolarHBondContact OG1-NE2 3.16Å; T110-L144 HydrophobicContact CG2-CD1 3.57Å; T110-V354 HydrophobicContact CG2-CG1 3.81Å
111E91.6Very high93.2Very high9 Ų939.8 Ų39.84%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-135.6148.1169.166173.3-17100111.7N115 R120 M123 V138 A139 Q141E111-N115 HydrophobicContact CB-CB 4.23Å; E111-N115 HydrophobicContact CG-CB 4.48Å; E111-N115 PolarHBondContact OE2-ND2 2.81Å; E111-R120 VanDerWaalsContact CD-NH2 3.27Å; E111-R120 IonicContact OE1-CZ 2.75Å; E111-R120 IonicContact OE1-NE 2.82Å; E111-R120 PolarHBondContact OE1-NE 3.11Å; E111-R120 IonicContact OE1-NH2 3.47Å; E111-R120 PolarHBondContact OE1-NH2 3.26Å; E111-R120 IonicContact OE2-CZ 2.86Å; E111-R120 IonicContact OE2-NE 3.8Å; E111-R120 PolarHBondContact OE2-NE 3.38Å; E111-R120 IonicContact OE2-NH2 3.94Å; E111-R120 PolarHBondContact OE2-NH2 3.29Å; E111-R120 VanDerWaalsContact OE2-NH2 3.15Å; E111-M123 HydrophobicContact CB-CE 4.28Å; E111-V138 HydrophobicContact CB-CG1 4.01Å; E111-V138 HydrophobicContact CG-CG1 3.74Å; E111-A139 PolarHBondContact N-O 2.97Å; E111-Q141 VanDerWaalsContact O-CG 3.24Å; E111-Q141 WeakPolarHBondContact O-CG 3.23Å; E111-Q141 PolarHBondContact O-N 3.02Å
112P89.9Confident93.1Very high11 Ų1141 Ų417%0.07120%0.204CC..  trans-67157.8174.830.9-37.2000111.2G77 N115G77-P112 WeakPolarHBondContact O-CG 3.32Å; P112-N115 HydrophobicContact CG-CB 4.29Å; P112-N115 WeakPolarHBondContact O-CB 3.43Å; P112-N115 PolarHBondContact O-N 3.33Å
113P86.3Confident93Very high10 Ų1040.5 Ų40.57%0.06520%0.2CC..THydrogen-bonded Turntrans-53.2146167.4-22.133.3000111.3N115 V140 A142 H165 C167 T179P113-N115 PolarHBondContact O-N 3.03Å; P113-V140 HydrophobicContact CG-CG1 4.36Å; P113-A142 HydrophobicContact CG-CB 4.44Å; P113-H165 HydrophobicContact CG-CB 3.98Å; P113-C167 HydrophobicContact CG-CB 4.36Å; P113-T179 HydrophobicContact CB-CG2 3.69Å
114L85Confident93Very high98 Ų9838.4 Ų38.451%0.51319%0.186SC..THydrogen-bonded Turntrans61.623178.9-49.6175.1000114.8P176 T179L114-P176 HydrophobicContact CD2-CB 4.37Å; L114-T179 HydrophobicContact CD1-CG2 4.08Å; L114-T179 HydrophobicContact CG-CG2 4.04Å
115N87.6Confident93Very high12 Ų1234.9 Ų34.96%0.06417%0.169CC..  trans-60.4128.3171.7-173.533.2000110.8E111 P112 P113 N117 N119 R120E111-N115 HydrophobicContact CB-CB 4.23Å; E111-N115 HydrophobicContact CG-CB 4.48Å; E111-N115 PolarHBondContact OE2-ND2 2.81Å; P112-N115 HydrophobicContact CG-CB 4.29Å; P112-N115 WeakPolarHBondContact O-CB 3.43Å; P112-N115 PolarHBondContact O-N 3.33Å; P113-N115 PolarHBondContact O-N 3.03Å; N115-N117 PolarHBondContact O-N 3.21Å; N115-N119 WeakPolarHBondContact OD1-CB 3.33Å; N115-N119 PolarHBondContact OD1-ND2 3.47Å; N115-R120 PolarHBondContact O-NH2 3.07Å
116P88.5Confident93Very high57 Ų5735.1 Ų35.137%0.3717%0.17SC..  trans-55.7137.2177.7-27.935.2000112.7K118 N119 R120P116-K118 PolarHBondContact O-N 2.82Å; P116-N119 WeakPolarHBondContact O-CB 3.24Å; P116-N119 PolarHBondContact O-N 3.03Å; P116-R120 PolarHBondContact O-N 3.14Å
117N90Very high93Very high88 Ų8835 Ų3547%0.47117%0.17SC..Hα-helixtrans-55-40.1179.9-69.4-12000112.6N115 N119 R120 E121N115-N117 PolarHBondContact O-N 3.21Å; N117-N119 PolarHBondContact O-N 3.34Å; N117-R120 WeakPolarHBondContact O-CB 3.4Å; N117-R120 PolarHBondContact O-N 2.71Å; N117-R120 PolarHBondContact OD1-NH1 2.8Å; N117-E121 WeakPolarHBondContact O-CG 3.33Å; N117-E121 PolarHBondContact O-N 3.16Å
118K92Very high92.9Very high163 Ų16335.3 Ų35.371%0.70917%0.171SC*.Hα-helixtrans-57.9-35176.1-171.9175.9-178177.80113.1P116 R122P116-K118 PolarHBondContact O-N 2.82Å; K118-R122 WeakPolarHBondContact O-CB 3.43Å; K118-R122 PolarHBondContact O-N 3.44Å
119N92.6Very high92.9Very high23 Ų2341.1 Ų41.112%0.12320%0.199CC..Hα-helixtrans-72.7-41.5176.3-69.1-6.1000110.9I78 W82 N115 P116 N117 E121 R122 M123I78-N119 WeakPolarHBondContact CG2-ND2 3.38Å; W82-N119 HydrophobicContact CH2-CB 4.43Å; W82-N119 WeakPolarHBondContact CH2-O 3.46Å; W82-N119 HydrophobicContact CZ2-CB 4.16Å; N115-N119 WeakPolarHBondContact OD1-CB 3.33Å; N115-N119 PolarHBondContact OD1-ND2 3.47Å; P116-N119 WeakPolarHBondContact O-CB 3.24Å; P116-N119 PolarHBondContact O-N 3.03Å; N117-N119 PolarHBondContact O-N 3.34Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-R122 PolarHBondContact O-N 2.97Å; N119-M123 WeakPolarHBondContact O-CG 3.31Å; N119-M123 PolarHBondContact O-N 3.41Å
120R93.4Very high92.9Very high24 Ų2446 Ų469%0.09122%0.22CC..Hα-helixtrans-59.7-45.7175-170.9-179.4-52.694.47.3111.4E111 N115 P116 N117 M123 V124 V138 M387 L390E111-R120 VanDerWaalsContact CD-NH2 3.27Å; E111-R120 IonicContact OE1-CZ 2.75Å; E111-R120 IonicContact OE1-NE 2.82Å; E111-R120 PolarHBondContact OE1-NE 3.11Å; E111-R120 IonicContact OE1-NH2 3.47Å; E111-R120 PolarHBondContact OE1-NH2 3.26Å; E111-R120 IonicContact OE2-CZ 2.86Å; E111-R120 IonicContact OE2-NE 3.8Å; E111-R120 PolarHBondContact OE2-NE 3.38Å; E111-R120 IonicContact OE2-NH2 3.94Å; E111-R120 PolarHBondContact OE2-NH2 3.29Å; E111-R120 VanDerWaalsContact OE2-NH2 3.15Å; N115-R120 PolarHBondContact O-NH2 3.07Å; P116-R120 PolarHBondContact O-N 3.14Å; N117-R120 WeakPolarHBondContact O-CB 3.4Å; N117-R120 PolarHBondContact O-N 2.71Å; N117-R120 PolarHBondContact OD1-NH1 2.8Å; R120-M123 HydrophobicContact CB-CE 4.43Å; R120-M123 HydrophobicContact CG-CE 4.5Å; R120-M123 PolarHBondContact O-N 2.95Å; R120-V124 WeakPolarHBondContact O-CG2 3.45Å; R120-V124 PolarHBondContact O-N 3.18Å; R120-V124 VanDerWaalsContact O-N 3.1Å; R120-V138 HydrophobicContact CG-CG1 4.31Å; R120-M387 HydrophobicContact CB-CE 4.04Å; R120-M387 HydrophobicContact CG-CE 3.87Å; R120-M387 HydrophobicContact CG-SD 4.12Å; R120-L390 HydrophobicContact CG-CD1 4.26Å
121E94.4Very high93Very high73 Ų7347.1 Ų47.134%0.34122%0.224SC..Hα-helixtrans-55.8-52.3174.1-74.7168.4-167.700111.2N117 N119 M123 V124 E125 I383 M387N117-E121 WeakPolarHBondContact O-CG 3.33Å; N117-E121 PolarHBondContact O-N 3.16Å; N119-E121 VanDerWaalsContact C-N 3.33Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 2.77Å; E121-V124 PolarHBondContact O-N 3.25Å; E121-V124 VanDerWaalsContact O-N 3.16Å; E121-E125 WeakPolarHBondContact O-CB 3.47Å; E121-E125 PolarHBondContact O-N 2.96Å; E121-I383 HydrophobicContact CB-CD1 4.25Å; E121-I383 HydrophobicContact CB-CG1 3.84Å; E121-I383 HydrophobicContact CG-CD1 4.5Å; E121-I383 HydrophobicContact CG-CG1 3.84Å; E121-I383 WeakPolarHBondContact O-CD1 3.33Å; E121-M387 HydrophobicContact CG-CE 3.85Å; E121-M387 HydrophobicContact CG-CG 3.71Å; E121-M387 HydrophobicContact CG-SD 3.8Å
122R94.7Very high93.3Very high96 Ų9647.1 Ų47.136%0.36223%0.226SC..Hα-helixtrans-63.4-36.3-179.2-176.358.7177.7173.65.3113W82 K118 N119 E125 V126W82-R122 HydrophobicContact CD2-CG 3.68Å; W82-R122 HydrophobicContact CE3-CG 3.56Å; W82-R122 HydrophobicContact CH2-CB 3.53Å; W82-R122 HydrophobicContact CH2-CG 3.49Å; W82-R122 VanDerWaalsContact CH2-CG 3.49Å; W82-R122 HydrophobicContact CZ2-CB 3.71Å; W82-R122 HydrophobicContact CZ2-CG 3.61Å; W82-R122 HydrophobicContact CZ3-CB 3.95Å; W82-R122 HydrophobicContact CZ3-CG 3.44Å; W82-R122 VanDerWaalsContact CZ3-CG 3.44Å; K118-R122 WeakPolarHBondContact O-CB 3.43Å; K118-R122 PolarHBondContact O-N 3.44Å; N119-R122 PolarHBondContact O-N 2.97Å; R122-E125 WeakPolarHBondContact CD-OE2 3.36Å; R122-E125 IonicContact CZ-OE2 3.12Å; R122-E125 IonicContact NE-OE2 3.47Å; R122-E125 IonicContact NH1-OE1 2.74Å; R122-E125 PolarHBondContact NH1-OE1 2.92Å; R122-E125 IonicContact NH1-OE2 2.74Å; R122-E125 PolarHBondContact NH1-OE2 2.94Å; R122-V126 VanDerWaalsContact O-CG2 3.25Å; R122-V126 WeakPolarHBondContact O-CG2 3.41Å; R122-V126 PolarHBondContact O-N 2.96Å
123M94.4Very high93.6Very high8 Ų846.6 Ų46.64%0.03922%0.223CC..Hα-helixtrans-60.3-50.7173.1-73.5-169.9-60.300110.6W82 W89 E111 N119 R120 E121 E125 V126 M127 V138W82-M123 HydrophobicContact CH2-CG 3.88Å; W82-M123 HydrophobicContact CZ3-CG 4.03Å; W89-M123 HydrophobicContact CH2-CG 4.24Å; W89-M123 HydrophobicContact CZ2-CG 4.44Å; E111-M123 HydrophobicContact CB-CE 4.28Å; N119-M123 WeakPolarHBondContact O-CG 3.31Å; N119-M123 PolarHBondContact O-N 3.41Å; R120-M123 HydrophobicContact CB-CE 4.43Å; R120-M123 HydrophobicContact CG-CE 4.5Å; R120-M123 PolarHBondContact O-N 2.95Å; E121-M123 VanDerWaalsContact C-N 3.33Å; E121-M123 PolarHBondContact O-N 2.77Å; M123-E125 PolarHBondContact O-N 2.93Å; M123-V126 PolarHBondContact O-N 3.2Å; M123-M127 VanDerWaalsContact O-CG 3.26Å; M123-M127 WeakPolarHBondContact O-CG 3.45Å; M123-M127 PolarHBondContact O-N 2.89Å; M123-V138 HydrophobicContact CE-CG1 4.12Å
124V95.5Very high94.1Very high0 Ų049.4 Ų49.40%024%0.235CC..Hα-helixtrans-62.3-45.3-178.6173.20000111.3R120 E121 V126 M127 F128 V138 I373 I383 A386 L390R120-V124 WeakPolarHBondContact O-CG2 3.45Å; R120-V124 PolarHBondContact O-N 3.18Å; R120-V124 VanDerWaalsContact O-N 3.1Å; E121-V124 PolarHBondContact O-N 3.25Å; E121-V124 VanDerWaalsContact O-N 3.16Å; V124-V126 PolarHBondContact O-N 2.85Å; V124-M127 PolarHBondContact O-N 3.39Å; V124-F128 HydrophobicContact CG1-CD2 3.67Å; V124-F128 HydrophobicContact CG1-CE2 3.52Å; V124-F128 WeakPolarHBondContact O-CD2 3.36Å; V124-F128 PolarHBondContact O-N 3.37Å; V124-F128 VanDerWaalsContact O-N 3.11Å; V124-V138 HydrophobicContact CG2-CG2 3.98Å; V124-I373 HydrophobicContact CG1-CD1 4.49Å; V124-I383 HydrophobicContact CB-CD1 3.91Å; V124-I383 HydrophobicContact CG1-CD1 3.86Å; V124-A386 HydrophobicContact CG1-CB 4.28Å; V124-L390 HydrophobicContact CG2-CD1 4.26Å
125E95.5Very high94.6Very high53 Ų5344.8 Ų44.825%0.24821%0.211CC..Hα-helixtrans-53.7-52.5174.8-177.3-170.1175.200111.1E121 R122 M123 M127 F128 E129 Y378E121-E125 WeakPolarHBondContact O-CB 3.47Å; E121-E125 PolarHBondContact O-N 2.96Å; R122-E125 WeakPolarHBondContact CD-OE2 3.36Å; R122-E125 IonicContact CZ-OE2 3.12Å; R122-E125 IonicContact NE-OE2 3.47Å; R122-E125 IonicContact NH1-OE1 2.74Å; R122-E125 PolarHBondContact NH1-OE1 2.92Å; R122-E125 IonicContact NH1-OE2 2.74Å; R122-E125 PolarHBondContact NH1-OE2 2.94Å; M123-E125 PolarHBondContact O-N 2.93Å; E125-M127 VanDerWaalsContact C-N 3.32Å; E125-M127 PolarHBondContact O-N 2.88Å; E125-F128 PolarHBondContact O-N 3.18Å; E125-E129 HydrophobicContact CG-CG 4.3Å; E125-E129 WeakPolarHBondContact O-CB 3.44Å; E125-E129 WeakPolarHBondContact O-CG 3.43Å; E125-E129 PolarHBondContact O-N 2.88Å; E125-Y378 WeakPolarHBondContact CG-OH 3.44Å
126V96.6Very high95.1Very high8 Ų844.2 Ų44.25%0.04821%0.208CC..Hα-helixtrans-61.4-39.3179.9172.10000111.8W89 R122 M123 V124 F128 K130 Y131W89-V126 HydrophobicContact CE3-CG1 3.98Å; W89-V126 HydrophobicContact CZ3-CB 4.28Å; W89-V126 HydrophobicContact CZ3-CG1 3.76Å; R122-V126 VanDerWaalsContact O-CG2 3.25Å; R122-V126 WeakPolarHBondContact O-CG2 3.41Å; R122-V126 PolarHBondContact O-N 2.96Å; M123-V126 PolarHBondContact O-N 3.2Å; V124-V126 PolarHBondContact O-N 2.85Å; V126-F128 VanDerWaalsContact C-N 3.34Å; V126-F128 PolarHBondContact O-N 3.47Å; V126-K130 HydrophobicContact CG1-CB 4.24Å; V126-K130 WeakPolarHBondContact O-CB 3.29Å; V126-K130 PolarHBondContact O-N 3.02Å; V126-Y131 HydrophobicContact CG1-CD2 4.08Å; V126-Y131 HydrophobicContact CG1-CE2 3.76Å; V126-Y131 PolarHBondContact O-N 2.75Å
127M97.5Very high95.4Very high0 Ų042.4 Ų42.40%019%0.194CC..Hα-helixtrans-65.4-35.4179.5-66.1-54.3141.900113W89 F93 L107 L109 M123 V124 E125 Y131 G132 F133 V136W89-M127 HydrophobicContact CD2-CE 3.47Å; W89-M127 VanDerWaalsContact CD2-CE 3.47Å; W89-M127 VanDerWaalsContact CE2-CE 3.4Å; W89-M127 HydrophobicContact CE3-CE 3.7Å; W89-M127 HydrophobicContact CG-CE 4.06Å; W89-M127 HydrophobicContact CH2-CE 3.84Å; W89-M127 HydrophobicContact CZ2-CE 3.6Å; W89-M127 HydrophobicContact CZ3-CE 3.89Å; F93-M127 HydrophobicContact CE2-SD 4.31Å; F93-M127 HydrophobicContact CZ-SD 4.35Å; L107-M127 HydrophobicContact CD2-CG 3.83Å; L107-M127 HydrophobicContact CD2-SD 3.38Å; L107-M127 WeakPolarHBondContact CD2-SD 3.11Å; L109-M127 HydrophobicContact CD1-CE 4.09Å; L109-M127 HydrophobicContact CD1-CG 3.69Å; L109-M127 HydrophobicContact CD1-SD 4.19Å; M123-M127 VanDerWaalsContact O-CG 3.26Å; M123-M127 WeakPolarHBondContact O-CG 3.45Å; M123-M127 PolarHBondContact O-N 2.89Å; V124-M127 PolarHBondContact O-N 3.39Å; E125-M127 VanDerWaalsContact C-N 3.32Å; E125-M127 PolarHBondContact O-N 2.88Å; M127-Y131 HydrophobicContact CE-CD2 4.47Å; M127-Y131 HydrophobicContact CE-CE2 4.45Å; M127-Y131 HydrophobicContact SD-CD2 3.96Å; M127-Y131 HydrophobicContact SD-CE2 4.49Å; M127-G132 PolarHBondContact O-N 3.33Å; M127-F133 HydrophobicContact CB-CD2 4.08Å; M127-F133 PolarHBondContact O-N 2.81Å; M127-F133 HydrophobicContact SD-CD2 4.05Å; M127-F133 HydrophobicContact SD-CE2 3.82Å; M127-V136 HydrophobicContact CB-CG1 4.48Å; M127-V136 HydrophobicContact CB-CG2 3.8Å
128F97.2Very high95.6Very high5 Ų538.7 Ų38.72%0.02218%0.175CC..Hα-helixtrans-84.4-45.6177.1-71.8-55.7000112.9V124 E125 V126 G132 F133 V136 I373 K375 Y378V124-F128 HydrophobicContact CG1-CD2 3.67Å; V124-F128 HydrophobicContact CG1-CE2 3.52Å; V124-F128 WeakPolarHBondContact O-CD2 3.36Å; V124-F128 PolarHBondContact O-N 3.37Å; V124-F128 VanDerWaalsContact O-N 3.11Å; E125-F128 PolarHBondContact O-N 3.18Å; V126-F128 VanDerWaalsContact C-N 3.34Å; V126-F128 PolarHBondContact O-N 3.47Å; F128-G132 WeakPolarHBondContact O-CA 3.37Å; F128-G132 PolarHBondContact O-N 3.44Å; F128-G132 VanDerWaalsContact O-N 3.15Å; F128-F133 VanDerWaalsContact CD1-O 3.31Å; F128-F133 WeakPolarHBondContact CD1-O 3.43Å; F128-F133 WeakPolarHBondContact CE1-O 3.19Å; F128-V136 HydrophobicContact CD1-CG2 4.29Å; F128-V136 HydrophobicContact CE1-CB 4.31Å; F128-V136 HydrophobicContact CE1-CG2 3.74Å; F128-V136 HydrophobicContact CE2-CB 4.19Å; F128-V136 HydrophobicContact CE2-CG2 4.2Å; F128-V136 HydrophobicContact CZ-CB 3.78Å; F128-V136 HydrophobicContact CZ-CG2 3.69Å; F128-I373 HydrophobicContact CE2-CB 4.4Å; F128-I373 HydrophobicContact CE2-CG2 3.84Å; F128-I373 HydrophobicContact CZ-CB 4.14Å; F128-I373 HydrophobicContact CZ-CG2 3.84Å; F128-I373 WeakPolarHBondContact CZ-O 3.34Å; F128-K375 HydrophobicContact CD1-CB 3.95Å; F128-K375 HydrophobicContact CD1-CG 4Å; F128-K375 HydrophobicContact CE1-CB 4Å; F128-Y378 HydrophobicContact CB-CD1 3.65Å; F128-Y378 HydrophobicContact CB-CE1 3.86Å; F128-Y378 HydrophobicContact CB-CG 4.13Å; F128-Y378 AromaticContact CD2-CD1 3.94Å; F128-Y378 HydrophobicContact CD2-CD1 3.94Å; F128-Y378 AromaticContact CD2-CD2 3.68Å; F128-Y378 HydrophobicContact CD2-CD2 3.68Å; F128-Y378 HydrophobicContact CD2-CE2 4.27Å; F128-Y378 AromaticContact CD2-CG 3.48Å; F128-Y378 HydrophobicContact CD2-CG 3.48Å; F128-Y378 VanDerWaalsContact CD2-CG 3.48Å; F128-Y378 HydrophobicContact CE2-CD2 4.18Å; F128-Y378 HydrophobicContact CE2-CG 4.05Å; F128-Y378 AromaticContact CG-CD1 3.95Å; F128-Y378 HydrophobicContact CG-CD1 3.95Å; F128-Y378 HydrophobicContact CG-CD2 4.5Å; F128-Y378 AromaticContact CG-CG 3.94Å; F128-Y378 HydrophobicContact CG-CG 3.94Å
129E96.7Very high95.7Very high123 Ų12331.2 Ų31.258%0.57514%0.143SC*.Hα-helixtrans-80.2-43-171.4-65.2-174.3-17600113E125 Y378E125-E129 HydrophobicContact CG-CG 4.3Å; E125-E129 WeakPolarHBondContact O-CB 3.44Å; E125-E129 WeakPolarHBondContact O-CG 3.43Å; E125-E129 PolarHBondContact O-N 2.88Å; E129-Y378 HydrophobicContact CG-CE1 3.95Å; E129-Y378 PolarHBondContact OE1-OH 3.48Å
130K96.8Very high95.6Very high102 Ų10231.7 Ų31.744%0.44315%0.147SC..THydrogen-bonded Turntrans-84.9-48.5179.8-171.3-175.5178.1-159.80111.7T86 D90 V126T86-K130 HydrophobicContact CG2-CD 3.65Å; D90-K130 IonicContact OD1-NZ 2.66Å; D90-K130 PolarHBondContact OD1-NZ 2.88Å; D90-K130 IonicContact OD2-NZ 3.17Å; D90-K130 PolarHBondContact OD2-NZ 2.76Å; V126-K130 HydrophobicContact CG1-CB 4.24Å; V126-K130 WeakPolarHBondContact O-CB 3.29Å; V126-K130 PolarHBondContact O-N 3.02Å
131Y97.5Very high95.6Very high26 Ų2631.5 Ų31.510%0.10215%0.147CC..SBendtrans-95.5-24.2-171.4-63.9-71.5000113.5T86 W89 D90 F93 P102 V126 M127 F133T86-Y131 PolarHBondContact O-OH 3.47Å; T86-Y131 VanDerWaalsContact O-OH 3.05Å; W89-Y131 HydrophobicContact CB-CE2 4Å; W89-Y131 WeakPolarHBondContact CB-OH 3.45Å; W89-Y131 HydrophobicContact CE3-CE2 4.23Å; D90-Y131 PolarHBondContact N-OH 3.28Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.44Å; D90-Y131 VanDerWaalsContact OD1-CZ 3.28Å; D90-Y131 PolarHBondContact OD1-OH 3.11Å; F93-Y131 AromaticContact CD2-CD1 3.85Å; F93-Y131 HydrophobicContact CD2-CD1 3.85Å; F93-Y131 AromaticContact CD2-CE1 3.78Å; F93-Y131 HydrophobicContact CD2-CE1 3.78Å; F93-Y131 HydrophobicContact CD2-CG 4.34Å; F93-Y131 HydrophobicContact CE2-CD1 4.21Å; F93-Y131 HydrophobicContact CE2-CD2 4.28Å; F93-Y131 HydrophobicContact CE2-CE1 4.21Å; F93-Y131 HydrophobicContact CE2-CE2 4.27Å; F93-Y131 HydrophobicContact CE2-CG 4.26Å; P102-Y131 WeakPolarHBondContact CB-O 3.1Å; P102-Y131 HydrophobicContact CG-CD1 4.24Å; V126-Y131 HydrophobicContact CG1-CD2 4.08Å; V126-Y131 HydrophobicContact CG1-CE2 3.76Å; V126-Y131 PolarHBondContact O-N 2.75Å; M127-Y131 HydrophobicContact CE-CD2 4.47Å; M127-Y131 HydrophobicContact CE-CE2 4.45Å; M127-Y131 HydrophobicContact SD-CD2 3.96Å; M127-Y131 HydrophobicContact SD-CE2 4.49Å; Y131-F133 HydrophobicContact CG-CE2 4.18Å; Y131-F133 PolarHBondContact O-N 2.67Å
132G96.8Very high95.5Very high9 Ų928.1 Ų28.19%0.09313%0.132CC..  trans71.824.7176.300000114.9S103 M127 F128S103-G132 WeakPolarHBondContact CA-O 3.46Å; M127-G132 PolarHBondContact O-N 3.33Å; F128-G132 WeakPolarHBondContact O-CA 3.37Å; F128-G132 PolarHBondContact O-N 3.44Å; F128-G132 VanDerWaalsContact O-N 3.15Å
133F97.8Very high95.4Very high0 Ų025.1 Ų25.10%012%0.123CC..  trans-52.4140.9178.5-80.6-79.6000112.1F93 P102 C105 L107 M127 F128 Y131 V136F93-F133 HydrophobicContact CD1-CZ 4.19Å; F93-F133 HydrophobicContact CD2-CE2 4.35Å; F93-F133 HydrophobicContact CD2-CZ 4.27Å; F93-F133 HydrophobicContact CE1-CE2 4.42Å; F93-F133 AromaticContact CE1-CZ 3.79Å; F93-F133 HydrophobicContact CE1-CZ 3.79Å; F93-F133 AromaticContact CE2-CE2 3.75Å; F93-F133 HydrophobicContact CE2-CE2 3.75Å; F93-F133 AromaticContact CE2-CZ 3.88Å; F93-F133 HydrophobicContact CE2-CZ 3.88Å; F93-F133 HydrophobicContact CG-CZ 4.42Å; F93-F133 AromaticContact CZ-CE2 3.8Å; F93-F133 HydrophobicContact CZ-CE2 3.8Å; F93-F133 AromaticContact CZ-CZ 3.63Å; F93-F133 HydrophobicContact CZ-CZ 3.63Å; P102-F133 HydrophobicContact CB-CD1 4.14Å; P102-F133 HydrophobicContact CB-CD2 4.1Å; P102-F133 HydrophobicContact CB-CE1 3.8Å; P102-F133 HydrophobicContact CB-CE2 3.75Å; P102-F133 HydrophobicContact CB-CG 4.29Å; P102-F133 HydrophobicContact CB-CZ 3.59Å; P102-F133 HydrophobicContact CG-CE2 4.49Å; P102-F133 HydrophobicContact CG-CZ 4.22Å; P102-F133 WeakPolarHBondContact O-CA 3.36Å; P102-F133 VanDerWaalsContact O-CD1 3.25Å; P102-F133 WeakPolarHBondContact O-CD1 3.15Å; C105-F133 HydrophobicContact CB-CD1 4.01Å; C105-F133 HydrophobicContact CB-CE1 3.92Å; L107-F133 HydrophobicContact CB-CD1 3.69Å; L107-F133 HydrophobicContact CB-CD2 4.4Å; L107-F133 HydrophobicContact CB-CE1 3.74Å; L107-F133 HydrophobicContact CB-CE2 4.45Å; L107-F133 HydrophobicContact CB-CG 4.04Å; L107-F133 HydrophobicContact CB-CZ 4.13Å; L107-F133 HydrophobicContact CD1-CZ 4.44Å; L107-F133 HydrophobicContact CD2-CD2 3.95Å; L107-F133 HydrophobicContact CD2-CE1 4.31Å; L107-F133 HydrophobicContact CD2-CE2 3.64Å; L107-F133 HydrophobicContact CD2-CG 4.42Å; L107-F133 HydrophobicContact CD2-CZ 3.83Å; L107-F133 HydrophobicContact CG-CE1 4.43Å; L107-F133 HydrophobicContact CG-CZ 4.36Å; M127-F133 HydrophobicContact CB-CD2 4.08Å; M127-F133 PolarHBondContact O-N 2.81Å; M127-F133 HydrophobicContact SD-CD2 4.05Å; M127-F133 HydrophobicContact SD-CE2 3.82Å; F128-F133 VanDerWaalsContact CD1-O 3.31Å; F128-F133 WeakPolarHBondContact CD1-O 3.43Å; F128-F133 WeakPolarHBondContact CE1-O 3.19Å; Y131-F133 HydrophobicContact CG-CE2 4.18Å; Y131-F133 PolarHBondContact O-N 2.67Å; F133-V136 HydrophobicContact CB-CG2 3.85Å
134Q96.1Very high95.3Very high70 Ų7024.8 Ų24.833%0.32712%0.121SC..SBendtrans-70.8-37.3-179.4-69.2-64.3-30.600112.2S103 C105 Y374 K375S103-Q134 WeakPolarHBondContact O-CG 3.48Å; S103-Q134 PolarHBondContact O-NE2 3.23Å; C105-Q134 WeakPolarHBondContact O-CB 3.27Å; C105-Q134 PolarHBondContact O-N 3.03Å; Q134-Y374 WeakPolarHBondContact O-CA 3.32Å; Q134-Y374 WeakPolarHBondContact O-CD1 3.26Å; Q134-K375 PolarHBondContact O-N 2.76Å
135G95.9Very high95.2Very high0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-146.9139.3177.200000111.8K106 L107 I373K106-G135 CarbonylContact C-O 3.57Å; K106-G135 VanDerWaalsContact CA-O 3.25Å; K106-G135 WeakPolarHBondContact CA-O 3.45Å; L107-G135 PolarHBondContact N-O 3.32Å; G135-I373 CarbonylContact C-O 3.56Å; G135-I373 WeakPolarHBondContact CA-O 3.25Å
136V96.9Very high95.1Very high0 Ų022.3 Ų22.30%011%0.109CC..EExtended strand (participates in β ladder)trans-127140.4-178.7178.90000109.6L107 L109 M127 F128 F133 I373L107-V136 CarbonylContact O-C 3.47Å; L107-V136 VanDerWaalsContact O-CA 3.32Å; L107-V136 WeakPolarHBondContact O-CA 3.37Å; L109-V136 HydrophobicContact CD1-CG1 4.46Å; M127-V136 HydrophobicContact CB-CG1 4.48Å; M127-V136 HydrophobicContact CB-CG2 3.8Å; F128-V136 HydrophobicContact CD1-CG2 4.29Å; F128-V136 HydrophobicContact CE1-CB 4.31Å; F128-V136 HydrophobicContact CE1-CG2 3.74Å; F128-V136 HydrophobicContact CE2-CB 4.19Å; F128-V136 HydrophobicContact CE2-CG2 4.2Å; F128-V136 HydrophobicContact CZ-CB 3.78Å; F128-V136 HydrophobicContact CZ-CG2 3.69Å; F133-V136 HydrophobicContact CB-CG2 3.85Å; V136-I373 PolarHBondContact N-O 3.28Å; V136-I373 WeakPolarHBondContact O-CB 3.43Å; V136-I373 PolarHBondContact O-N 2.94Å
137H95.5Very high94.6Very high19 Ų1925.3 Ų25.39%0.08812%0.12CC..EExtended strand (participates in β ladder)trans-135.4145.3167.7-170.981.4000109.7L107 L108 L109 F371 W372L107-H137 PolarHBondContact O-N 3.15Å; L108-H137 WeakPolarHBondContact CA-O 3.37Å; L109-H137 PolarHBondContact N-O 3.02Å; H137-F371 HydrophobicContact CB-CD1 4.36Å; H137-F371 HydrophobicContact CB-CE1 3.82Å; H137-F371 HydrophobicContact CB-CZ 4.26Å; H137-F371 AromaticContact CD2-CE1 3.74Å; H137-F371 AromaticContact CD2-CE2 3.79Å; H137-F371 AromaticContact CD2-CZ 3.24Å; H137-F371 WeakPolarHBondContact CD2-CZ 3.37Å; H137-F371 AromaticContact CE1-CD2 3.9Å; H137-F371 AromaticContact CE1-CE2 3.52Å; H137-F371 AromaticContact CE1-CZ 3.75Å; H137-F371 AromaticContact CG-CE1 3.53Å; H137-F371 AromaticContact CG-CZ 3.51Å; H137-F371 AromaticContact ND1-CE1 3.9Å; H137-F371 AromaticContact ND1-CE2 3.92Å; H137-F371 AromaticContact ND1-CZ 3.81Å; H137-F371 PolarHBondContact ND1-O 3.36Å; H137-F371 AromaticContact NE2-CE2 3.41Å; H137-F371 WeakPolarHBondContact NE2-CE2 3.46Å; H137-F371 AromaticContact NE2-CZ 3.4Å; H137-F371 WeakPolarHBondContact NE2-CZ 3.4Å; H137-W372 HydrophobicContact CB-CE3 3.86Å; H137-W372 HydrophobicContact CB-CZ3 3.9Å
138V94.9Very high94.2Very high10 Ų1026.9 Ų26.96%0.06113%0.133CC..EExtended strand (participates in β ladder)trans-121.1119.4176.5-176.20000108.4L109 E111 R120 M123 V124 L390L109-V138 HydrophobicContact CB-CG2 4.38Å; L109-V138 WeakPolarHBondContact O-CA 3.46Å; E111-V138 HydrophobicContact CB-CG1 4.01Å; E111-V138 HydrophobicContact CG-CG1 3.74Å; R120-V138 HydrophobicContact CG-CG1 4.31Å; M123-V138 HydrophobicContact CE-CG1 4.12Å; V124-V138 HydrophobicContact CG2-CG2 3.98Å; V138-L390 HydrophobicContact CB-CD1 4.2Å; V138-L390 HydrophobicContact CB-CD2 4.37Å; V138-L390 HydrophobicContact CG2-CD1 4.21Å
139A92.9Very high93.9Very high6 Ų629.8 Ų29.85%0.0515%0.147CC..EExtended strand (participates in β ladder)trans-115.8141.9-177.400000112.1L108 L109 T110 E111 Q141 L144L108-A139 HydrophobicContact CD2-CB 4.3Å; L109-A139 PolarHBondContact O-N 2.88Å; T110-A139 CarbonylContact C-O 3.55Å; T110-A139 VanDerWaalsContact CA-O 3.29Å; T110-A139 WeakPolarHBondContact CA-O 3.17Å; E111-A139 PolarHBondContact N-O 2.97Å; A139-Q141 PolarHBondContact O-N 3.49Å; A139-L144 HydrophobicContact CB-CD1 3.94Å; A139-L144 HydrophobicContact CB-CD2 3.75Å; A139-L144 HydrophobicContact CB-CG 3.95Å
140V91.8Very high93.4Very high34 Ų3427.2 Ų27.221%0.20615%0.153CC..EExtended strand (participates in β ladder)trans-71.9127.6176.8-178.30000110P113 A142 M143 L144P113-V140 HydrophobicContact CG-CG1 4.36Å; V140-A142 VanDerWaalsContact C-N 3.29Å; V140-A142 HydrophobicContact CG1-CB 4.46Å; V140-A142 PolarHBondContact O-N 2.88Å; V140-M143 HydrophobicContact CB-CB 4.45Å; V140-M143 WeakPolarHBondContact O-CB 3.29Å; V140-M143 PolarHBondContact O-N 3.31Å; V140-L144 PolarHBondContact O-N 3.14Å
141Q93Very high93.2Very high19 Ų1924 Ų249%0.08914%0.141CC..Hα-helixtrans-51.7-42.5-175.9-72.5172.7-1100113.9D12 T110 E111 A139 M143 L144 T145 V354D12-Q141 PolarHBondContact OD1-NE2 3.41Å; T110-Q141 PolarHBondContact OG1-NE2 3.16Å; E111-Q141 VanDerWaalsContact O-CG 3.24Å; E111-Q141 WeakPolarHBondContact O-CG 3.23Å; E111-Q141 PolarHBondContact O-N 3.02Å; A139-Q141 PolarHBondContact O-N 3.49Å; Q141-M143 VanDerWaalsContact C-N 3.34Å; Q141-M143 PolarHBondContact O-N 3.42Å; Q141-L144 PolarHBondContact O-N 2.82Å; Q141-T145 PolarHBondContact O-N 2.99Å; Q141-T145 VanDerWaalsContact O-N 3.11Å; Q141-T145 PolarHBondContact O-OG1 3.02Å; Q141-V354 HydrophobicContact CB-CG1 4.02Å; Q141-V354 HydrophobicContact CB-CG2 3.91Å; Q141-V354 HydrophobicContact CG-CG1 3.68Å; Q141-V354 HydrophobicContact CG-CG2 4.31Å
142A92.2Very high93Very high2 Ų226.6 Ų26.62%0.01716%0.159CC..Hα-helixtrans-63.9-37.9178.900000112.6P113 V140 T145 L146 V156 C167 I169P113-A142 HydrophobicContact CG-CB 4.44Å; V140-A142 VanDerWaalsContact C-N 3.29Å; V140-A142 HydrophobicContact CG1-CB 4.46Å; V140-A142 PolarHBondContact O-N 2.88Å; A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.27Å; A142-L146 PolarHBondContact O-N 2.72Å; A142-V156 HydrophobicContact CB-CB 4Å; A142-V156 HydrophobicContact CB-CG1 4.22Å; A142-V156 HydrophobicContact CB-CG2 4.29Å; A142-V156 WeakPolarHBondContact O-CG2 3.49Å; A142-C167 HydrophobicContact CB-CB 3.52Å; A142-I169 HydrophobicContact CB-CD1 4.03Å; A142-I169 WeakPolarHBondContact O-CD1 3.29Å
143M91.8Very high92.9Very high34 Ų3427 Ų2717%0.16716%0.16CC..Hα-helixtrans-66.8-44179.4-171-174.9-66.600111.2V140 Q141 T145 L146 Y147 I169 G172V140-M143 HydrophobicContact CB-CB 4.45Å; V140-M143 WeakPolarHBondContact O-CB 3.29Å; V140-M143 PolarHBondContact O-N 3.31Å; Q141-M143 VanDerWaalsContact C-N 3.34Å; Q141-M143 PolarHBondContact O-N 3.42Å; M143-T145 PolarHBondContact O-N 3.11Å; M143-L146 PolarHBondContact O-N 2.93Å; M143-Y147 HydrophobicContact CG-CD2 4.04Å; M143-Y147 HydrophobicContact CG-CE1 4.2Å; M143-Y147 HydrophobicContact CG-CE2 3.42Å; M143-Y147 VanDerWaalsContact CG-CE2 3.42Å; M143-Y147 PolarHBondContact O-N 2.92Å; M143-Y147 HydrophobicContact SD-CE2 3.63Å; M143-Y147 PolarHBondContact SD-OH 3.44Å; M143-Y147 VanDerWaalsContact SD-OH 3.39Å; M143-I169 HydrophobicContact CB-CD1 4.17Å; M143-G172 WeakPolarHBondContact CE-O 3.44Å
144L93.2Very high92.9Very high0 Ų027 Ų270%016%0.16CC..Hα-helixtrans-58.3-38.6174.8-61.1-179.2000111.7L108 T110 A139 V140 Q141 Y147 A148 V354 G357 L361L108-L144 HydrophobicContact CD2-CD1 4.34Å; T110-L144 HydrophobicContact CG2-CD1 3.57Å; A139-L144 HydrophobicContact CB-CD1 3.94Å; A139-L144 HydrophobicContact CB-CD2 3.75Å; A139-L144 HydrophobicContact CB-CG 3.95Å; V140-L144 PolarHBondContact O-N 3.14Å; Q141-L144 PolarHBondContact O-N 2.82Å; L144-Y147 PolarHBondContact O-N 2.82Å; L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 2.9Å; L144-V354 HydrophobicContact CD1-CG1 4.38Å; L144-G357 WeakPolarHBondContact O-CA 3.44Å; L144-L361 HydrophobicContact CD2-CB 4.21Å; L144-L361 HydrophobicContact CD2-CD2 3.51Å
145T93.7Very high93Very high0 Ų023.7 Ų23.70%015%0.145CC..Hα-helixtrans-61.4-45.7178.6-62.60000112.3Q141 A142 M143 A148 V156 V302 M353Q141-T145 PolarHBondContact O-N 2.99Å; Q141-T145 VanDerWaalsContact O-N 3.11Å; Q141-T145 PolarHBondContact O-OG1 3.02Å; A142-T145 WeakPolarHBondContact O-CB 3.49Å; A142-T145 PolarHBondContact O-N 3.27Å; M143-T145 PolarHBondContact O-N 3.11Å; T145-A148 WeakPolarHBondContact O-CB 3.44Å; T145-A148 PolarHBondContact O-N 2.96Å; T145-V156 HydrophobicContact CG2-CG1 3.77Å; T145-V156 HydrophobicContact CG2-CG2 4.06Å; T145-V302 HydrophobicContact CG2-CG1 3.83Å; T145-M353 HydrophobicContact CG2-CB 4.34Å; T145-M353 HydrophobicContact CG2-CG 3.91Å; T145-M353 HydrophobicContact CG2-SD 3.55Å; T145-M353 VanDerWaalsContact CG2-SD 3.55Å
146L92Very high93Very high1 Ų123.8 Ų23.81%0.00515%0.145CC..Hα-helixtrans-67.6-41.5176.2-71-170.6000112.2A142 M143 A148 Q149 G150 L151 V156 I169 V302A142-L146 PolarHBondContact O-N 2.72Å; M143-L146 PolarHBondContact O-N 2.93Å; L146-A148 PolarHBondContact O-N 3.37Å; L146-Q149 CarbonylContact O-C 3.58Å; L146-Q149 WeakPolarHBondContact O-CA 3.48Å; L146-Q149 PolarHBondContact O-N 3.38Å; L146-G150 PolarHBondContact O-N 2.94Å; L146-L151 CarbonylContact C-O 3.56Å; L146-L151 HydrophobicContact CB-CB 4.27Å; L146-L151 WeakPolarHBondContact CB-O 3.48Å; L146-L151 HydrophobicContact CD2-CB 4.29Å; L146-L151 HydrophobicContact CD2-CD1 4.36Å; L146-L151 PolarHBondContact O-N 3.39Å; L146-V156 HydrophobicContact CD1-CG2 4.34Å; L146-V156 HydrophobicContact CD2-CG2 3.6Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; L146-I169 HydrophobicContact CD1-CB 3.54Å; L146-I169 HydrophobicContact CD1-CD1 3.67Å; L146-I169 HydrophobicContact CD1-CG1 3.99Å; L146-I169 HydrophobicContact CD1-CG2 3.94Å; L146-I169 HydrophobicContact CG-CD1 4.11Å; L146-V302 HydrophobicContact CD2-CB 4Å; L146-V302 HydrophobicContact CD2-CG2 3.52Å
147Y87.5Confident93.1Very high71 Ų7123.8 Ų23.828%0.27815%0.145SC..Hα-helixtrans-61.5-35177.3-67.4-17.4000112.3M143 L144 Q149 G150 V152 L361M143-Y147 HydrophobicContact CG-CD2 4.04Å; M143-Y147 HydrophobicContact CG-CE1 4.2Å; M143-Y147 HydrophobicContact CG-CE2 3.42Å; M143-Y147 VanDerWaalsContact CG-CE2 3.42Å; M143-Y147 PolarHBondContact O-N 2.92Å; M143-Y147 HydrophobicContact SD-CE2 3.63Å; M143-Y147 PolarHBondContact SD-OH 3.44Å; M143-Y147 VanDerWaalsContact SD-OH 3.39Å; L144-Y147 PolarHBondContact O-N 2.82Å; Y147-Q149 PolarHBondContact O-N 3.33Å; Y147-G150 PolarHBondContact O-N 2.93Å; Y147-V152 HydrophobicContact CE1-CG1 4.43Å; Y147-L361 HydrophobicContact CD2-CD1 4.43Å; Y147-L361 HydrophobicContact CD2-CD2 4.46Å
148A88.9Confident93.1Very high33 Ų3323.6 Ų23.627%0.27315%0.145SC..Hα-helixtrans-61.1-23.8173.200000113.3L144 T145 L146 M353L144-A148 WeakPolarHBondContact O-CB 3.32Å; L144-A148 PolarHBondContact O-N 2.9Å; T145-A148 WeakPolarHBondContact O-CB 3.44Å; T145-A148 PolarHBondContact O-N 2.96Å; L146-A148 PolarHBondContact O-N 3.37Å; A148-M353 HydrophobicContact CB-CG 3.76Å
149Q89.3Confident93.2Very high67 Ų6723.1 Ų23.131%0.31314%0.142SC..THydrogen-bonded Turntrans-98.63175.3-63.1-53.5-66.500113.4L146 Y147 L151 V302 P347 M353L146-Q149 CarbonylContact O-C 3.58Å; L146-Q149 WeakPolarHBondContact O-CA 3.48Å; L146-Q149 PolarHBondContact O-N 3.38Å; Y147-Q149 PolarHBondContact O-N 3.33Å; Q149-L151 VanDerWaalsContact C-N 3.25Å; Q149-L151 HydrophobicContact CB-CD1 4.15Å; Q149-L151 HydrophobicContact CB-CG 4.11Å; Q149-L151 PolarHBondContact O-N 2.89Å; Q149-V302 HydrophobicContact CG-CG1 4.01Å; Q149-P347 HydrophobicContact CG-CG 4.42Å; Q149-M353 HydrophobicContact CG-SD 4.13Å
150G88Confident93.4Very high69 Ų6923.8 Ų23.871%0.71115%0.15SC*.THydrogen-bonded Turntrans68.324.4-17500000113.5L146 Y147L146-G150 PolarHBondContact O-N 2.94Å; Y147-G150 PolarHBondContact O-N 2.93Å
151L92Very high93.5Very high33 Ų3323.3 Ų23.317%0.17315%0.146CC..  trans-105145178.7-61.5177.2000110.7L146 Q149 V302L146-L151 CarbonylContact C-O 3.56Å; L146-L151 HydrophobicContact CB-CB 4.27Å; L146-L151 WeakPolarHBondContact CB-O 3.48Å; L146-L151 HydrophobicContact CD2-CB 4.29Å; L146-L151 HydrophobicContact CD2-CD1 4.36Å; L146-L151 PolarHBondContact O-N 3.39Å; Q149-L151 VanDerWaalsContact C-N 3.25Å; Q149-L151 HydrophobicContact CB-CD1 4.15Å; Q149-L151 HydrophobicContact CB-CG 4.11Å; Q149-L151 PolarHBondContact O-N 2.89Å; L151-V302 HydrophobicContact CD1-CG2 3.83Å
152V92.1Very high93.5Very high82 Ų8222.4 Ų22.450%0.49714%0.141SC..SBendtrans-114.4-12.7172.5-62.50000112.9Y147 Q171 G172Y147-V152 HydrophobicContact CE1-CG1 4.43Å; V152-Q171 PolarHBondContact O-N 3.18Å; V152-Q171 VanDerWaalsContact O-N 3.12Å; V152-G172 PolarHBondContact O-N 2.94Å
153T95.4Very high93.6Very high18 Ų1822.8 Ų22.811%0.1114%0.144CC..SBendtrans-134.8127.8177.9-61.30000109.5I169 Y170 Q171 V296 F297 N300T153-I169 CarbonylContact C-O 3.53Å; T153-I169 VanDerWaalsContact CA-O 3.26Å; T153-I169 WeakPolarHBondContact CA-O 3.33Å; T153-Y170 HydrophobicContact CG2-CD2 3.75Å; T153-Y170 HydrophobicContact CG2-CE2 4.36Å; T153-Q171 PolarHBondContact OG1-N 3.35Å; T153-V296 HydrophobicContact CG2-CG1 3.68Å; T153-F297 HydrophobicContact CG2-CD1 4.27Å; T153-F297 HydrophobicContact CG2-CE1 3.88Å; T153-N300 WeakPolarHBondContact O-CB 3.41Å; T153-N300 PolarHBondContact O-ND2 2.89Å
154G97.1Very high93.8Very high0 Ų021.1 Ų21.10%014%0.136CC..EExtended strand (participates in β ladder)trans172.4-177.7-179.600000112.4I169 N300G154-I169 PolarHBondContact N-O 2.85Å; G154-I169 PolarHBondContact O-N 2.83Å; G154-N300 CarbonylContact C-O 3.39Å; G154-N300 WeakPolarHBondContact CA-O 3.34Å
155V98.1Very high93.9Very high0 Ų021.3 Ų21.30%014%0.136CC..EExtended strand (participates in β ladder)trans-120.1120.1173.4-176.50000108.6I166 P168 L282 I286 F297 N300 I301 V302V155-I166 HydrophobicContact CG1-CG2 3.52Å; V155-P168 HydrophobicContact CG1-CG 4.43Å; V155-P168 HydrophobicContact CG2-CB 4.19Å; V155-P168 HydrophobicContact CG2-CG 4.36Å; V155-L282 HydrophobicContact CB-CD1 4.45Å; V155-L282 HydrophobicContact CG1-CD1 3.6Å; V155-I286 HydrophobicContact CG2-CD1 4.44Å; V155-I286 HydrophobicContact CG2-CG1 4.08Å; V155-F297 HydrophobicContact CG2-CB 3.57Å; V155-F297 HydrophobicContact CG2-CD1 3.71Å; V155-F297 HydrophobicContact CG2-CD2 4.16Å; V155-F297 HydrophobicContact CG2-CE1 4.44Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; V155-N300 PolarHBondContact N-O 2.82Å; V155-I301 CarbonylContact O-C 3.26Å; V155-I301 WeakPolarHBondContact O-CA 3.39Å; V155-V302 PolarHBondContact O-N 3.05Å
156V97.6Very high94.1Very high1 Ų121.3 Ų21.31%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-91.4128.2176.3177.40000109.6A142 T145 L146 D158 I166 C167 V302A142-V156 HydrophobicContact CB-CB 4Å; A142-V156 HydrophobicContact CB-CG1 4.22Å; A142-V156 HydrophobicContact CB-CG2 4.29Å; A142-V156 WeakPolarHBondContact O-CG2 3.49Å; T145-V156 HydrophobicContact CG2-CG1 3.77Å; T145-V156 HydrophobicContact CG2-CG2 4.06Å; L146-V156 HydrophobicContact CD1-CG2 4.34Å; L146-V156 HydrophobicContact CD2-CG2 3.6Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; V156-D158 HydrophobicContact CG1-CB 4.19Å; V156-I166 WeakPolarHBondContact O-CA 3.23Å; V156-C167 PolarHBondContact N-O 2.91Å; V156-C167 PolarHBondContact O-N 2.96Å; V156-V302 WeakPolarHBondContact CA-O 3.22Å
157V97.9Very high94.4Very high0 Ų021.3 Ų21.30%014%0.137CC..EExtended strand (participates in β ladder)trans-10598.3167.2-175.50000106.9H165 I166 L278 L282 I301 V302 L303 S304V157-H165 WeakPolarHBondContact CA-O 3.43Å; V157-I166 HydrophobicContact CG1-CG1 4.48Å; V157-I166 HydrophobicContact CG2-CG1 4.4Å; V157-L278 HydrophobicContact CG1-CD1 3.87Å; V157-L278 HydrophobicContact CG1-CD2 4.11Å; V157-L278 HydrophobicContact CG1-CG 4.34Å; V157-L282 HydrophobicContact CG2-CD1 4.07Å; V157-L282 HydrophobicContact CG2-CD2 3.74Å; V157-I301 HydrophobicContact CG2-CG2 4.02Å; V157-V302 PolarHBondContact N-O 3.33Å; V157-L303 HydrophobicContact CB-CD2 3.75Å; V157-L303 HydrophobicContact CG1-CD2 4.29Å; V157-L303 HydrophobicContact CG2-CD2 4.15Å; V157-S304 PolarHBondContact O-N 3.5Å
158D96.6Very high94.8Very high15 Ų1518 Ų188%0.0812%0.123CC..EExtended strand (participates in β ladder)trans-101114177.7-163.1-53.5000109.5V156 T164 H165 S304 V354V156-D158 HydrophobicContact CG1-CB 4.19Å; D158-T164 CarbonylContact O-C 3.59Å; D158-T164 VanDerWaalsContact O-CA 3.23Å; D158-T164 WeakPolarHBondContact O-CA 3.2Å; D158-H165 PolarHBondContact N-O 2.78Å; D158-H165 PolarHBondContact O-N 2.92Å; D158-S304 WeakPolarHBondContact CA-O 3.47Å; D158-S304 WeakPolarHBondContact OD2-CB 3.46Å; D158-S304 PolarHBondContact OD2-OG 3.4Å; D158-V354 WeakPolarHBondContact OD2-CG2 3.5Å
159S97.1Very high95.1Very high0 Ų016.4 Ų16.40%011%0.111CC..EExtended strand (participates in β ladder)trans-119104.3176.5-168.50000110.5T164 S304 G305 G306 S307S159-T164 WeakPolarHBondContact CB-OG1 3.45Å; S159-T164 PolarHBondContact OG-OG1 2.71Å; S159-S304 PolarHBondContact N-O 3.33Å; S159-G305 CarbonylContact O-C 3.45Å; S159-G305 WeakPolarHBondContact O-CA 3.37Å; S159-G306 PolarHBondContact O-N 3.23Å; S159-S307 WeakPolarHBondContact O-CB 3.45Å; S159-S307 PolarHBondContact O-N 3.03Å; S159-S307 VanDerWaalsContact OG-CB 3.3Å; S159-S307 WeakPolarHBondContact OG-CB 3.42Å
160G95.3Very high95.4Very high21 Ų2117.6 Ų17.622%0.21611%0.113CC..  trans-94.9-144.1-174.400000114V163 A185 G186 S307G160-V163 PolarHBondContact N-O 3.21Å; G160-A185 WeakPolarHBondContact O-CB 3.23Å; G160-G186 PolarHBondContact O-N 3.33Å; G160-S307 PolarHBondContact O-OG 3.35Å
161D95.2Very high95.5Very high23 Ų2320.2 Ų20.212%0.12311%0.106CC..SBendtrans-85.9-44.9174.4-174.561.9000112.3G16 A185 G186 R187G16-D161 VanDerWaalsContact CA-OD2 3.25Å; G16-D161 WeakPolarHBondContact CA-OD2 3.48Å; D161-A185 WeakPolarHBondContact O-CB 3.45Å; D161-G186 PolarHBondContact O-N 3.1Å; D161-G186 VanDerWaalsContact O-N 3.09Å; D161-R187 WeakPolarHBondContact O-CB 3.42Å; D161-R187 PolarHBondContact O-N 2.91Å; D161-R187 IonicContact OD2-CZ 3.55Å; D161-R187 IonicContact OD2-NE 2.72Å; D161-R187 PolarHBondContact OD2-NE 2.96Å; D161-R187 IonicContact OD2-NH2 3.58Å; D161-R187 PolarHBondContact OD2-NH2 2.65Å
162G93.2Very high95.3Very high0 Ų019.1 Ų19.10%010%0.104CC..SBendtrans-109.1-13.1-175.500000115.5N76N76-G162 VanDerWaalsContact CG-O 3.23Å; N76-G162 PolarHBondContact OD1-O 3.12Å
163V94.2Very high95.1Very high10 Ų1021.1 Ų21.16%0.06111%0.106CC..  trans-153.8148.4-173.863.40000111.6N76 G160 H165 R181N76-V163 HydrophobicContact CB-CB 4.29Å; G160-V163 PolarHBondContact N-O 3.21Å; V163-H165 VanDerWaalsContact CG1-CE1 3.44Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.43Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.32Å; V163-R181 HydrophobicContact CG2-CG 3.54Å
164T96.3Very high94.8Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-114.6129.7169.9-58.60000110.1D158 S159 R181 L182 I184 L278D158-T164 CarbonylContact O-C 3.59Å; D158-T164 VanDerWaalsContact O-CA 3.23Å; D158-T164 WeakPolarHBondContact O-CA 3.2Å; S159-T164 WeakPolarHBondContact CB-OG1 3.45Å; S159-T164 PolarHBondContact OG-OG1 2.71Å; T164-R181 WeakPolarHBondContact O-CA 3.29Å; T164-L182 PolarHBondContact N-O 3.48Å; T164-L182 PolarHBondContact O-N 2.98Å; T164-I184 WeakPolarHBondContact CB-O 3.39Å; T164-I184 PolarHBondContact OG1-O 2.94Å; T164-L278 HydrophobicContact CG2-CD1 3.56Å
165H95.5Very high94.6Very high3 Ų323.2 Ų23.21%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-119.3143.1177.5-67.8100.5000111.4P113 V157 D158 V163 R180P113-H165 HydrophobicContact CG-CB 3.98Å; V157-H165 WeakPolarHBondContact CA-O 3.43Å; D158-H165 PolarHBondContact N-O 2.78Å; D158-H165 PolarHBondContact O-N 2.92Å; V163-H165 VanDerWaalsContact CG1-CE1 3.44Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.43Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.32Å; H165-R180 WeakPolarHBondContact CA-O 3.45Å
166I97.6Very high94.2Very high0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-116.3114.7165.8-61.9179.4000107.3V155 V156 V157 T179 R180 L278 M281 L282 V285V155-I166 HydrophobicContact CG1-CG2 3.52Å; V156-I166 WeakPolarHBondContact O-CA 3.23Å; V157-I166 HydrophobicContact CG1-CG1 4.48Å; V157-I166 HydrophobicContact CG2-CG1 4.4Å; I166-T179 VanDerWaalsContact O-CA 3.32Å; I166-T179 WeakPolarHBondContact O-CA 3.33Å; I166-R180 PolarHBondContact N-O 2.87Å; I166-R180 PolarHBondContact O-N 3.06Å; I166-L278 HydrophobicContact CD1-CD1 4.09Å; I166-L278 HydrophobicContact CG1-CD1 4.39Å; I166-M281 HydrophobicContact CB-CE 4.46Å; I166-M281 HydrophobicContact CD1-CB 4.05Å; I166-M281 HydrophobicContact CD1-CE 3.4Å; I166-M281 VanDerWaalsContact CD1-CE 3.4Å; I166-M281 HydrophobicContact CD1-CG 3.97Å; I166-M281 HydrophobicContact CG1-CE 3.66Å; I166-L282 VanDerWaalsContact CD1-CA 3.41Å; I166-L282 HydrophobicContact CD1-CB 3.59Å; I166-L282 HydrophobicContact CD1-CD1 4.2Å; I166-L282 HydrophobicContact CD1-CG 4.43Å; I166-L282 VanDerWaalsContact CD1-N 3.32Å; I166-L282 HydrophobicContact CG2-CD1 3.66Å; I166-V285 HydrophobicContact CB-CG2 4.42Å; I166-V285 HydrophobicContact CG2-CB 4.04Å; I166-V285 HydrophobicContact CG2-CG1 3.86Å; I166-V285 HydrophobicContact CG2-CG2 4.04Å
167C96.7Very high94Very high2 Ų233.4 Ų33.41%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-126.5104-172.9-171.40000110.3P113 A142 V156 T179P113-C167 HydrophobicContact CG-CB 4.36Å; A142-C167 HydrophobicContact CB-CB 3.52Å; V156-C167 PolarHBondContact N-O 2.91Å; V156-C167 PolarHBondContact O-N 2.96Å; C167-T179 HydrophobicContact CB-CG2 4.39Å
168P97.2Very high93.9Very high0 Ų033.9 Ų33.90%018%0.177CC..EExtended strand (participates in β ladder)trans-70.8137168.4-20.235.5000111.2V155 L175 L178 V285 F297V155-P168 HydrophobicContact CG1-CG 4.43Å; V155-P168 HydrophobicContact CG2-CB 4.19Å; V155-P168 HydrophobicContact CG2-CG 4.36Å; P168-L175 HydrophobicContact CB-CB 4.45Å; P168-L175 HydrophobicContact CB-CD1 4.19Å; P168-L175 PolarHBondContact O-N 2.96Å; P168-L178 HydrophobicContact CG-CB 3.87Å; P168-L178 HydrophobicContact CG-CD1 4.49Å; P168-V285 HydrophobicContact CG-CG1 3.21Å; P168-F297 HydrophobicContact CB-CE1 4.45Å; P168-F297 HydrophobicContact CB-CE2 4.15Å; P168-F297 HydrophobicContact CB-CZ 4Å
169I95.1Very high93.8Very high1 Ų133.4 Ų33.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-130.9131.1178-56.6-179.3000107.5A142 M143 L146 T153 G154 F173 A174 F297A142-I169 HydrophobicContact CB-CD1 4.03Å; A142-I169 WeakPolarHBondContact O-CD1 3.29Å; M143-I169 HydrophobicContact CB-CD1 4.17Å; L146-I169 HydrophobicContact CD1-CB 3.54Å; L146-I169 HydrophobicContact CD1-CD1 3.67Å; L146-I169 HydrophobicContact CD1-CG1 3.99Å; L146-I169 HydrophobicContact CD1-CG2 3.94Å; L146-I169 HydrophobicContact CG-CD1 4.11Å; T153-I169 CarbonylContact C-O 3.53Å; T153-I169 VanDerWaalsContact CA-O 3.26Å; T153-I169 WeakPolarHBondContact CA-O 3.33Å; G154-I169 PolarHBondContact N-O 2.85Å; G154-I169 PolarHBondContact O-N 2.83Å; I169-F173 CarbonylContact C-O 3.53Å; I169-F173 VanDerWaalsContact CA-O 3.3Å; I169-F173 WeakPolarHBondContact CA-O 3.24Å; I169-A174 HydrophobicContact CG1-CB 4.43Å; I169-F297 WeakPolarHBondContact O-CE1 3.4Å
170Y94.5Very high93.8Very high92 Ų9238.4 Ų38.436%0.36119%0.194SC..EExtended strand (participates in β ladder)trans-126.9120179.8-175.4-99.3000110.1T153 G172 F173 T293T153-Y170 HydrophobicContact CG2-CD2 3.75Å; T153-Y170 HydrophobicContact CG2-CE2 4.36Å; Y170-G172 PolarHBondContact O-N 2.95Å; Y170-F173 PolarHBondContact N-O 3.38Å; Y170-F173 PolarHBondContact O-N 3.24Å; Y170-T293 HydrophobicContact CD2-CG2 3.94Å; Y170-T293 HydrophobicContact CE2-CG2 3.76Å
171Q91.7Very high93.7Very high123 Ų12341.2 Ų41.258%0.57520%0.198SC*.THydrogen-bonded Turntrans50.840179.4-62.4-174.8-19.100113.7V152 T153 F173V152-Q171 PolarHBondContact O-N 3.18Å; V152-Q171 VanDerWaalsContact O-N 3.12Å; T153-Q171 PolarHBondContact OG1-N 3.35Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 WeakPolarHBondContact O-CD2 3.23Å
172G86.6Confident93.7Very high11 Ų1140.4 Ų40.411%0.11319%0.193CC..THydrogen-bonded Turntrans87-7.5-179.700000114.9M143 V152 Y170M143-G172 WeakPolarHBondContact CE-O 3.44Å; V152-G172 PolarHBondContact O-N 2.94Å; Y170-G172 PolarHBondContact O-N 2.95Å
173F87.6Confident93.6Very high123 Ų12343.8 Ų43.854%0.53921%0.211SC..EExtended strand (participates in β ladder)trans-99122178.1-59.5-79.4000110.7I169 Y170 Q171 R393I169-F173 CarbonylContact C-O 3.53Å; I169-F173 VanDerWaalsContact CA-O 3.3Å; I169-F173 WeakPolarHBondContact CA-O 3.24Å; Y170-F173 PolarHBondContact N-O 3.38Å; Y170-F173 PolarHBondContact O-N 3.24Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 WeakPolarHBondContact O-CD2 3.23Å; F173-R393 VanDerWaalsContact CD1-O 3.28Å; F173-R393 WeakPolarHBondContact CD1-O 3.12Å; F173-R393 VanDerWaalsContact CE1-O 3.28Å; F173-R393 WeakPolarHBondContact CE1-O 3.31Å
174A90.6Very high93.7Very high28 Ų2843.3 Ų43.323%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-63.8149.6167.100000109.5I169 P176I169-A174 HydrophobicContact CG1-CB 4.43Å; A174-P176 WeakPolarHBondContact O-CD 3.3Å
175L92.2Very high93.7Very high35 Ų3543.3 Ų43.318%0.18321%0.209CC..  trans-11082.9179.1-58-179.2000110.2P168 H177 L178 T179 F297P168-L175 HydrophobicContact CB-CB 4.45Å; P168-L175 HydrophobicContact CB-CD1 4.19Å; P168-L175 PolarHBondContact O-N 2.96Å; L175-H177 PolarHBondContact O-N 2.92Å; L175-H177 VanDerWaalsContact O-N 3.11Å; L175-L178 HydrophobicContact CB-CB 4.26Å; L175-L178 HydrophobicContact CB-CD1 4.21Å; L175-L178 HydrophobicContact CB-CG 4.37Å; L175-L178 HydrophobicContact CD1-CD1 3.77Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 VanDerWaalsContact O-N 3.11Å; L175-T179 PolarHBondContact O-OG1 2.85Å; L175-F297 HydrophobicContact CD1-CZ 4.1Å
176P90.3Very high93.8Very high83 Ų8343.2 Ų43.254%0.53921%0.208SC..THydrogen-bonded Turntrans-57.2-33.3-171.3-25.733.6000114.4L114 A174 L178 T179L114-P176 HydrophobicContact CD2-CB 4.37Å; A174-P176 WeakPolarHBondContact O-CD 3.3Å; P176-L178 PolarHBondContact O-N 2.84Å; P176-T179 PolarHBondContact O-N 3.46Å
177H92.5Very high93.7Very high132 Ų13244.3 Ų44.361%0.61121%0.212SC*.THydrogen-bonded Turntrans-67.8-23.517963-81.3000113.1L175 R180L175-H177 PolarHBondContact O-N 2.92Å; L175-H177 VanDerWaalsContact O-N 3.11Å; H177-R180 PolarHBondContact O-NH1 3.29Å
178L95.6Very high93.7Very high9 Ų945.9 Ų45.95%0.04722%0.221CC..THydrogen-bonded Turntrans-97.4-16.8174.9-60.8-179.6000113.1P168 L175 P176 R180 A289P168-L178 HydrophobicContact CG-CB 3.87Å; P168-L178 HydrophobicContact CG-CD1 4.49Å; L175-L178 HydrophobicContact CB-CB 4.26Å; L175-L178 HydrophobicContact CB-CD1 4.21Å; L175-L178 HydrophobicContact CB-CG 4.37Å; L175-L178 HydrophobicContact CD1-CD1 3.77Å; L175-L178 PolarHBondContact O-N 2.89Å; P176-L178 PolarHBondContact O-N 2.84Å; L178-R180 PolarHBondContact O-N 3.12Å; L178-A289 HydrophobicContact CD1-CB 3.74Å
179T95.7Very high93.7Very high6 Ų645.9 Ų45.94%0.03722%0.221CC..  trans-60.1132.7177.5-59.80000110.5P113 L114 I166 C167 L175 P176P113-T179 HydrophobicContact CB-CG2 3.69Å; L114-T179 HydrophobicContact CD1-CG2 4.08Å; L114-T179 HydrophobicContact CG-CG2 4.04Å; I166-T179 VanDerWaalsContact O-CA 3.32Å; I166-T179 WeakPolarHBondContact O-CA 3.33Å; C167-T179 HydrophobicContact CB-CG2 4.39Å; L175-T179 PolarHBondContact O-N 2.92Å; L175-T179 VanDerWaalsContact O-N 3.11Å; L175-T179 PolarHBondContact O-OG1 2.85Å; P176-T179 PolarHBondContact O-N 3.46Å
180R95.8Very high93.9Very high105 Ų10545.9 Ų45.940%0.39622%0.221SC..EExtended strand (participates in β ladder)trans-124.2150.8175-64.8-65.6178.9-90.5-1.3110.3H165 I166 H177 L178 M281 V285H165-R180 WeakPolarHBondContact CA-O 3.45Å; I166-R180 PolarHBondContact N-O 2.87Å; I166-R180 PolarHBondContact O-N 3.06Å; H177-R180 PolarHBondContact O-NH1 3.29Å; L178-R180 PolarHBondContact O-N 3.12Å; R180-M281 HydrophobicContact CB-CG 3.94Å; R180-M281 HydrophobicContact CB-SD 3.84Å; R180-M281 HydrophobicContact CG-CG 4.49Å; R180-V285 HydrophobicContact CB-CG2 3.85Å; R180-V285 HydrophobicContact CG-CG2 3.35Å
181R93.7Very high94Very high80 Ų8048 Ų4830%0.30223%0.228SC..EExtended strand (participates in β ladder)trans-128.2133.1-176175.9175156165.1-7.4108.4N76 V163 T164 D183N76-R181 PolarHBondContact O-NH1 3.17Å; V163-R181 HydrophobicContact CG2-CG 3.54Å; T164-R181 WeakPolarHBondContact O-CA 3.29Å; R181-D183 IonicContact CZ-OD1 2.66Å; R181-D183 VanDerWaalsContact CZ-OD1 3.23Å; R181-D183 IonicContact CZ-OD2 3.65Å; R181-D183 IonicContact NE-OD1 2.91Å; R181-D183 PolarHBondContact NE-OD1 2.94Å; R181-D183 IonicContact NE-OD2 3.79Å; R181-D183 VanDerWaalsContact NH2-CG 3.33Å; R181-D183 IonicContact NH2-OD1 3.17Å; R181-D183 PolarHBondContact NH2-OD1 3Å; R181-D183 IonicContact NH2-OD2 3.72Å; R181-D183 PolarHBondContact NH2-OD2 3.43Å
182L94.1Very high94.2Very high6 Ų643.6 Ų43.63%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-119120.9172177.468.8000107.8T164 I184 P268 A275 M281T164-L182 PolarHBondContact N-O 3.48Å; T164-L182 PolarHBondContact O-N 2.98Å; L182-I184 HydrophobicContact CD1-CB 4.48Å; L182-I184 HydrophobicContact CD1-CD1 4.05Å; L182-I184 HydrophobicContact CD1-CG1 4.09Å; L182-I184 HydrophobicContact CD2-CB 4.12Å; L182-I184 HydrophobicContact CG-CB 3.93Å; L182-I184 HydrophobicContact CG-CD1 4.38Å; L182-I184 HydrophobicContact CG-CG1 4.08Å; L182-I184 PolarHBondContact O-N 3.33Å; L182-P268 HydrophobicContact CD1-CG 4.32Å; L182-A275 HydrophobicContact CD1-CB 3.78Å; L182-M281 HydrophobicContact CB-CE 3.71Å; L182-M281 HydrophobicContact CB-SD 4.01Å
183D93.1Very high94.8Very high71 Ų7143 Ų4338%0.3820%0.201SC..SBendtrans-81.647.2178.3-7813.8000110.9N76 R181N76-D183 PolarHBondContact ND2-OD2 3.26Å; N76-D183 VanDerWaalsContact ND2-OD2 3.15Å; R181-D183 IonicContact CZ-OD1 2.66Å; R181-D183 VanDerWaalsContact CZ-OD1 3.23Å; R181-D183 IonicContact CZ-OD2 3.65Å; R181-D183 IonicContact NE-OD1 2.91Å; R181-D183 PolarHBondContact NE-OD1 2.94Å; R181-D183 IonicContact NE-OD2 3.79Å; R181-D183 VanDerWaalsContact NH2-CG 3.33Å; R181-D183 IonicContact NH2-OD1 3.17Å; R181-D183 PolarHBondContact NH2-OD1 3Å; R181-D183 IonicContact NH2-OD2 3.72Å; R181-D183 PolarHBondContact NH2-OD2 3.43Å
184I95.7Very high95.3Very high0 Ų037.2 Ų37.20%018%0.175CC..  trans-137.2123.2173.1-54.3-179.7000107.2T164 L182 D188 V264 L265 P268 I271 V273T164-I184 WeakPolarHBondContact CB-O 3.39Å; T164-I184 PolarHBondContact OG1-O 2.94Å; L182-I184 HydrophobicContact CD1-CB 4.48Å; L182-I184 HydrophobicContact CD1-CD1 4.05Å; L182-I184 HydrophobicContact CD1-CG1 4.09Å; L182-I184 HydrophobicContact CD2-CB 4.12Å; L182-I184 HydrophobicContact CG-CB 3.93Å; L182-I184 HydrophobicContact CG-CD1 4.38Å; L182-I184 HydrophobicContact CG-CG1 4.08Å; L182-I184 PolarHBondContact O-N 3.33Å; I184-D188 WeakPolarHBondContact CA-OD2 3.3Å; I184-D188 HydrophobicContact CG2-CB 4.05Å; I184-V264 HydrophobicContact CG2-CB 4.41Å; I184-V264 HydrophobicContact CG2-CG2 3.9Å; I184-L265 HydrophobicContact CG2-CD2 4.02Å; I184-P268 HydrophobicContact CD1-CB 3.46Å; I184-P268 VanDerWaalsContact CD1-CB 3.46Å; I184-P268 HydrophobicContact CD1-CG 3.84Å; I184-I271 HydrophobicContact CD1-CD1 3.88Å; I184-I271 HydrophobicContact CD1-CG1 4.31Å; I184-I271 HydrophobicContact CG1-CD1 4.03Å; I184-I271 HydrophobicContact CG2-CD1 4.11Å; I184-V273 HydrophobicContact CD1-CB 3.99Å; I184-V273 HydrophobicContact CD1-CG1 3.97Å; I184-V273 HydrophobicContact CD1-CG2 4.23Å; I184-V273 HydrophobicContact CG1-CG1 4.41Å; I184-V273 HydrophobicContact CG1-CG2 4.47Å
185A96.9Very high95.5Very high0 Ų040.2 Ų40.20%018%0.183CC..SBendtrans-154.6-151.6176.600000111.6G160 D161 R187 D188 I189G160-A185 WeakPolarHBondContact O-CB 3.23Å; D161-A185 WeakPolarHBondContact O-CB 3.45Å; A185-R187 VanDerWaalsContact C-N 3.27Å; A185-R187 PolarHBondContact O-N 2.98Å; A185-D188 PolarHBondContact N-OD2 3.21Å; A185-D188 PolarHBondContact O-N 3.31Å; A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.09Å; A185-I189 PolarHBondContact O-N 3.27Å; A185-I189 VanDerWaalsContact O-N 3.12Å
186G97.1Very high95.8Very high1 Ų139.2 Ų39.21%0.0118%0.178CC..Hα-helixtrans-58.1-34.9-171.900000114.7G160 D161 T190 K217 S307G160-G186 PolarHBondContact O-N 3.33Å; D161-G186 PolarHBondContact O-N 3.1Å; D161-G186 VanDerWaalsContact O-N 3.09Å; G186-T190 PolarHBondContact O-N 3.32Å; G186-T190 VanDerWaalsContact O-N 3.09Å; G186-T190 PolarHBondContact O-OG1 2.86Å; G186-K217 PolarHBondContact O-NZ 3.15Å; G186-S307 WeakPolarHBondContact CA-OG 3.08Å; G186-S307 PolarHBondContact N-OG 3.23Å; G186-S307 VanDerWaalsContact N-OG 3.1Å
187R95.1Very high96.1Very high23 Ų2335.3 Ų35.39%0.08715%0.152CC..Hα-helixtrans-69.4-43.6-179.4-178.1170.5-62.8-149.4-0.3111.2Y72 D161 A185 T190 R191 F210Y72-R187 VanDerWaalsContact CD1-NH2 3.25Å; D161-R187 WeakPolarHBondContact O-CB 3.42Å; D161-R187 PolarHBondContact O-N 2.91Å; D161-R187 IonicContact OD2-CZ 3.55Å; D161-R187 IonicContact OD2-NE 2.72Å; D161-R187 PolarHBondContact OD2-NE 2.96Å; D161-R187 IonicContact OD2-NH2 3.58Å; D161-R187 PolarHBondContact OD2-NH2 2.65Å; A185-R187 VanDerWaalsContact C-N 3.27Å; A185-R187 PolarHBondContact O-N 2.98Å; R187-T190 WeakPolarHBondContact O-CB 3.35Å; R187-T190 PolarHBondContact O-N 3.24Å; R187-R191 WeakPolarHBondContact O-CG 3.47Å; R187-R191 PolarHBondContact O-N 2.94Å; R187-F210 HydrophobicContact CB-CZ 4.45Å; R187-F210 HydrophobicContact CG-CE2 4.31Å; R187-F210 HydrophobicContact CG-CZ 3.87Å
188D96.6Very high96.3Very high35 Ų3531.3 Ų31.319%0.18714%0.139CC..Hα-helixtrans-67.4-41.2179.7-48.7-67.1000110.8I184 A185 T190 R191 Y192 I271I184-D188 WeakPolarHBondContact CA-OD2 3.3Å; I184-D188 HydrophobicContact CG2-CB 4.05Å; A185-D188 PolarHBondContact N-OD2 3.21Å; A185-D188 PolarHBondContact O-N 3.31Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.41Å; D188-R191 PolarHBondContact O-N 3.45Å; D188-R191 VanDerWaalsContact O-N 3.16Å; D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 2.94Å; D188-I271 HydrophobicContact CB-CD1 4.1Å
189I98.1Very high96.3Very high0 Ų037.3 Ų37.30%017%0.17CC..Hα-helixtrans-59-44.2172.6-60.8165000110.6A185 Y192 L193 K217 A261 P262 V264 L265 F310A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.09Å; A185-I189 PolarHBondContact O-N 3.27Å; A185-I189 VanDerWaalsContact O-N 3.12Å; I189-Y192 PolarHBondContact O-N 3.02Å; I189-L193 WeakPolarHBondContact O-CB 3.48Å; I189-L193 PolarHBondContact O-N 3.09Å; I189-K217 HydrophobicContact CB-CD 4.05Å; I189-K217 HydrophobicContact CG2-CD 3.56Å; I189-K217 HydrophobicContact CG2-CG 4.03Å; I189-A261 HydrophobicContact CG2-CB 4.16Å; I189-P262 HydrophobicContact CG2-CG 4.43Å; I189-V264 HydrophobicContact CG1-CG2 3.6Å; I189-L265 HydrophobicContact CD1-CD1 3.75Å; I189-L265 HydrophobicContact CD1-CD2 4.21Å; I189-L265 HydrophobicContact CD1-CG 3.84Å; I189-L265 HydrophobicContact CG1-CG 4.44Å; I189-F310 HydrophobicContact CD1-CE2 3.67Å; I189-F310 HydrophobicContact CD1-CZ 4.08Å; I189-F310 HydrophobicContact CG2-CZ 4.15Å
190T97.6Very high96.2Very high0 Ų041.9 Ų41.90%019%0.187CC..Hα-helixtrans-62.7-43.9176.3-58.40000111.1G186 R187 D188 Y192 L193 I194 F210 V213 R214 K217G186-T190 PolarHBondContact O-N 3.32Å; G186-T190 VanDerWaalsContact O-N 3.09Å; G186-T190 PolarHBondContact O-OG1 2.86Å; R187-T190 WeakPolarHBondContact O-CB 3.35Å; R187-T190 PolarHBondContact O-N 3.24Å; D188-T190 VanDerWaalsContact C-N 3.32Å; D188-T190 PolarHBondContact O-N 3.41Å; T190-Y192 VanDerWaalsContact C-N 3.35Å; T190-Y192 PolarHBondContact O-N 3.06Å; T190-L193 PolarHBondContact O-N 2.76Å; T190-I194 WeakPolarHBondContact O-CG1 3.41Å; T190-I194 PolarHBondContact O-N 2.74Å; T190-F210 HydrophobicContact CG2-CD1 4.34Å; T190-F210 HydrophobicContact CG2-CD2 3.79Å; T190-F210 HydrophobicContact CG2-CE1 4.07Å; T190-F210 HydrophobicContact CG2-CE2 3.47Å; T190-F210 VanDerWaalsContact CG2-CE2 3.47Å; T190-F210 HydrophobicContact CG2-CG 4.21Å; T190-F210 HydrophobicContact CG2-CZ 3.62Å; T190-F210 WeakPolarHBondContact CG2-O 3.4Å; T190-V213 HydrophobicContact CG2-CB 4.33Å; T190-V213 HydrophobicContact CG2-CG1 4.26Å; T190-R214 HydrophobicContact CG2-CB 4.04Å; T190-K217 WeakPolarHBondContact OG1-CE 3.41Å; T190-K217 PolarHBondContact OG1-NZ 3.26Å
191R96.3Very high96.1Very high138 Ų13839.7 Ų39.752%0.52120%0.197SC..Hα-helixtrans-63.1-41.4177.9-70.4-176.6-178.4-147.70.2112R187 D188 I194 K195 F210R187-R191 WeakPolarHBondContact O-CG 3.47Å; R187-R191 PolarHBondContact O-N 2.94Å; D188-R191 PolarHBondContact O-N 3.45Å; D188-R191 VanDerWaalsContact O-N 3.16Å; R191-I194 WeakPolarHBondContact O-CB 3.49Å; R191-I194 PolarHBondContact O-N 3.05Å; R191-K195 PolarHBondContact O-N 3.09Å; R191-K195 VanDerWaalsContact O-N 3.14Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.87Å
192Y97.6Very high96.1Very high29 Ų2938.9 Ų38.911%0.11420%0.195CC..Hα-helixtrans-67.6-40177.7-174.5-128.6000111.6D188 I189 T190 I194 K195 L196 E260 A261 V264 L270 I271D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 2.94Å; I189-Y192 PolarHBondContact O-N 3.02Å; T190-Y192 VanDerWaalsContact C-N 3.35Å; T190-Y192 PolarHBondContact O-N 3.06Å; Y192-I194 VanDerWaalsContact C-N 3.29Å; Y192-I194 PolarHBondContact O-N 3.24Å; Y192-K195 HydrophobicContact CD2-CB 4.47Å; Y192-K195 HydrophobicContact CD2-CD 4.2Å; Y192-K195 HydrophobicContact CE2-CD 4.36Å; Y192-K195 WeakPolarHBondContact O-CA 3.43Å; Y192-K195 VanDerWaalsContact O-CB 3.32Å; Y192-K195 WeakPolarHBondContact O-CB 3.38Å; Y192-K195 PolarHBondContact O-N 3.05Å; Y192-L196 HydrophobicContact CD1-CD1 3.99Å; Y192-L196 HydrophobicContact CD1-CG 4.4Å; Y192-L196 HydrophobicContact CD2-CG 4.49Å; Y192-L196 HydrophobicContact CE1-CD1 3.72Å; Y192-L196 HydrophobicContact CE1-CD2 4.31Å; Y192-L196 HydrophobicContact CE1-CG 4.13Å; Y192-L196 HydrophobicContact CE2-CD2 4.11Å; Y192-L196 HydrophobicContact CE2-CG 4.21Å; Y192-L196 WeakPolarHBondContact O-CG 3.18Å; Y192-L196 PolarHBondContact O-N 2.72Å; Y192-E260 WeakPolarHBondContact CE1-O 3.32Å; Y192-A261 HydrophobicContact CD1-CB 4.5Å; Y192-V264 HydrophobicContact CD1-CG1 3.17Å; Y192-V264 HydrophobicContact CE1-CG1 3.53Å; Y192-V264 HydrophobicContact CG-CG1 3.77Å; Y192-L270 HydrophobicContact CE1-CB 4.49Å; Y192-I271 HydrophobicContact CD1-CG2 4.39Å; Y192-I271 HydrophobicContact CD2-CG2 3.55Å; Y192-I271 HydrophobicContact CE2-CG2 4.2Å; Y192-I271 HydrophobicContact CG-CG2 3.68Å
193L98.1Very high96.1Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-60.3-38.1173.4-174.955.1000112.3I189 T190 L196 L197 V213 L216 K217 E257 A261I189-L193 WeakPolarHBondContact O-CB 3.48Å; I189-L193 PolarHBondContact O-N 3.09Å; T190-L193 PolarHBondContact O-N 2.76Å; L193-L196 PolarHBondContact O-N 3.05Å; L193-L197 HydrophobicContact CD1-CD1 4.3Å; L193-L197 HydrophobicContact CD1-CG 4.21Å; L193-L197 HydrophobicContact CG-CD1 4.09Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.39Å; L193-V213 HydrophobicContact CB-CG1 3.96Å; L193-V213 HydrophobicContact CD2-CG1 3.75Å; L193-V213 HydrophobicContact CG-CG1 3.68Å; L193-L216 HydrophobicContact CD1-CD2 4.48Å; L193-L216 HydrophobicContact CD2-CD2 3.67Å; L193-L216 HydrophobicContact CG-CD2 4.39Å; L193-K217 HydrophobicContact CD2-CB 3.68Å; L193-K217 HydrophobicContact CD2-CG 4.33Å; L193-E257 HydrophobicContact CD1-CB 3.82Å; L193-A261 HydrophobicContact CB-CB 3.82Å; L193-A261 HydrophobicContact CD1-CB 3.86Å; L193-A261 HydrophobicContact CG-CB 4.28Å
194I97.4Very high96Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-59.1-47.9171.4-64.6167.3000110.2T190 R191 Y192 L196 L197 C198 F204 F210 V213T190-I194 WeakPolarHBondContact O-CG1 3.41Å; T190-I194 PolarHBondContact O-N 2.74Å; R191-I194 WeakPolarHBondContact O-CB 3.49Å; R191-I194 PolarHBondContact O-N 3.05Å; Y192-I194 VanDerWaalsContact C-N 3.29Å; Y192-I194 PolarHBondContact O-N 3.24Å; I194-L196 PolarHBondContact O-N 3.18Å; I194-L197 PolarHBondContact O-N 2.83Å; I194-C198 WeakPolarHBondContact O-CB 3.41Å; I194-C198 PolarHBondContact O-N 3.5Å; I194-C198 PolarHBondContact O-SG 3.49Å; I194-F204 HydrophobicContact CG2-CB 4Å; I194-F210 HydrophobicContact CD1-CD2 4.01Å; I194-V213 HydrophobicContact CD1-CB 4.44Å; I194-V213 HydrophobicContact CG1-CB 3.82Å; I194-V213 HydrophobicContact CG1-CG1 3.71Å; I194-V213 HydrophobicContact CG1-CG2 3.87Å
195K96.8Very high95.5Very high92 Ų9246.3 Ų46.340%0.424%0.243SC..Hα-helixtrans-57.4-47177.6-175.7-177.6177.8-176.10111.3R191 Y192 C198 L199R191-K195 PolarHBondContact O-N 3.09Å; R191-K195 VanDerWaalsContact O-N 3.14Å; Y192-K195 HydrophobicContact CD2-CB 4.47Å; Y192-K195 HydrophobicContact CD2-CD 4.2Å; Y192-K195 HydrophobicContact CE2-CD 4.36Å; Y192-K195 WeakPolarHBondContact O-CA 3.43Å; Y192-K195 VanDerWaalsContact O-CB 3.32Å; Y192-K195 WeakPolarHBondContact O-CB 3.38Å; Y192-K195 PolarHBondContact O-N 3.05Å; K195-C198 WeakPolarHBondContact O-CB 3.43Å; K195-C198 PolarHBondContact O-N 3.1Å; K195-L199 WeakPolarHBondContact O-CG 3.5Å; K195-L199 PolarHBondContact O-N 3.33Å
196L97.4Very high94.9Very high14 Ų1451.4 Ų51.47%0.07327%0.266CS..Hα-helixtrans-62.5-45.8178.4-66.6176.2000112.3Y192 L193 I194 C198 L199 R200 E257 E260 A261Y192-L196 HydrophobicContact CD1-CD1 3.99Å; Y192-L196 HydrophobicContact CD1-CG 4.4Å; Y192-L196 HydrophobicContact CD2-CG 4.49Å; Y192-L196 HydrophobicContact CE1-CD1 3.72Å; Y192-L196 HydrophobicContact CE1-CD2 4.31Å; Y192-L196 HydrophobicContact CE1-CG 4.13Å; Y192-L196 HydrophobicContact CE2-CD2 4.11Å; Y192-L196 HydrophobicContact CE2-CG 4.21Å; Y192-L196 WeakPolarHBondContact O-CG 3.18Å; Y192-L196 PolarHBondContact O-N 2.72Å; L193-L196 PolarHBondContact O-N 3.05Å; I194-L196 PolarHBondContact O-N 3.18Å; L196-C198 VanDerWaalsContact C-N 3.29Å; L196-C198 PolarHBondContact O-N 3.02Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-L199 VanDerWaalsContact O-N 3.15Å; L196-R200 PolarHBondContact O-N 2.79Å; L196-E257 HydrophobicContact CB-CB 4.1Å; L196-E257 HydrophobicContact CB-CG 3.7Å; L196-E257 HydrophobicContact CD1-CB 4.13Å; L196-E257 HydrophobicContact CD1-CG 4.42Å; L196-E260 HydrophobicContact CD1-CB 3.74Å; L196-A261 HydrophobicContact CD1-CB 4.1Å
197L97.2Very high94Very high0 Ų056.3 Ų56.30%030%0.301CS..Hα-helixtrans-63.5-35.8177.4-68.9170.6000112.1L193 I194 R200 G201 Y202 F204 V213 L216 I252 V254L193-L197 HydrophobicContact CD1-CD1 4.3Å; L193-L197 HydrophobicContact CD1-CG 4.21Å; L193-L197 HydrophobicContact CG-CD1 4.09Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.39Å; I194-L197 PolarHBondContact O-N 2.83Å; L197-R200 WeakPolarHBondContact O-CB 3.35Å; L197-R200 PolarHBondContact O-N 2.96Å; L197-G201 PolarHBondContact O-N 3.27Å; L197-Y202 HydrophobicContact CB-CD2 4.42Å; L197-Y202 HydrophobicContact CD2-CD2 4.07Å; L197-Y202 WeakPolarHBondContact O-CB 3.24Å; L197-Y202 PolarHBondContact O-N 3.11Å; L197-F204 HydrophobicContact CB-CD2 3.76Å; L197-F204 HydrophobicContact CB-CE2 4Å; L197-F204 HydrophobicContact CD1-CD2 4.06Å; L197-F204 HydrophobicContact CD1-CE2 3.83Å; L197-F204 HydrophobicContact CG-CE2 4.42Å; L197-V213 HydrophobicContact CD1-CG1 4.09Å; L197-V213 HydrophobicContact CD1-CG2 4.24Å; L197-L216 HydrophobicContact CD1-CD1 4.19Å; L197-I252 HydrophobicContact CD2-CD1 4.44Å; L197-V254 HydrophobicContact CD2-CG1 4.26Å; L197-V254 HydrophobicContact CD2-CG2 4.4Å
198C96Very high93.4Very high49 Ų4958.2 Ų58.233%0.33132%0.321SS..Hα-helixtrans-64.3-42.1172.6-71.70000112.4I194 K195 L196 R200 G201 Y202 F204I194-C198 WeakPolarHBondContact O-CB 3.41Å; I194-C198 PolarHBondContact O-N 3.5Å; I194-C198 PolarHBondContact O-SG 3.49Å; K195-C198 WeakPolarHBondContact O-CB 3.43Å; K195-C198 PolarHBondContact O-N 3.1Å; L196-C198 VanDerWaalsContact C-N 3.29Å; L196-C198 PolarHBondContact O-N 3.02Å; C198-R200 PolarHBondContact O-N 3.23Å; C198-G201 WeakPolarHBondContact O-CA 3.37Å; C198-G201 PolarHBondContact O-N 2.84Å; C198-Y202 VanDerWaalsContact CA-O 3.29Å; C198-Y202 WeakPolarHBondContact CA-O 3.45Å; C198-Y202 PolarHBondContact SG-O 3.33Å; C198-F204 PolarHBondContact SG-O 3.41Å; C198-F204 VanDerWaalsContact SG-O 3.41Å
199L95.4Very high93Very high135 Ų13558.7 Ų58.771%0.70732%0.324SS*.Hα-helixtrans-63-31.3174.6-68.3172000112.1K195 L196 G201K195-L199 WeakPolarHBondContact O-CG 3.5Å; K195-L199 PolarHBondContact O-N 3.33Å; L196-L199 WeakPolarHBondContact O-CB 3.44Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-L199 VanDerWaalsContact O-N 3.15Å; L199-G201 PolarHBondContact O-N 3.23Å
200R93.2Very high92.6Very high101 Ų10159.8 Ų59.838%0.38133%0.329SS..THydrogen-bonded Turntrans-72.1-8.9172.6-148.6-160179100.2-1.1113.8L196 L197 C198 Y202 R253 G255 E257L196-R200 PolarHBondContact O-N 2.79Å; L197-R200 WeakPolarHBondContact O-CB 3.35Å; L197-R200 PolarHBondContact O-N 2.96Å; C198-R200 PolarHBondContact O-N 3.23Å; R200-Y202 HydrophobicContact CB-CD2 4.43Å; R200-R253 PolarHBondContact NE-O 2.8Å; R200-G255 VanDerWaalsContact NH1-N 3.19Å; R200-E257 WeakPolarHBondContact CD-OE1 3.35Å; R200-E257 WeakPolarHBondContact CG-OE1 3.41Å; R200-E257 IonicContact CZ-OE1 2.87Å; R200-E257 IonicContact CZ-OE2 2.7Å; R200-E257 IonicContact NE-OE1 2.88Å; R200-E257 IonicContact NH1-OE1 3.3Å; R200-E257 PolarHBondContact NH1-OE1 2.98Å; R200-E257 IonicContact NH1-OE2 3.14Å; R200-E257 PolarHBondContact NH1-OE2 2.98Å
201G94.7Very high92.2Very high60 Ų6061.8 Ų61.862%0.61934%0.338SS*.THydrogen-bonded Turntrans100.28.7178.900000115.4L197 C198 L199L197-G201 PolarHBondContact O-N 3.27Å; C198-G201 WeakPolarHBondContact O-CA 3.37Å; C198-G201 PolarHBondContact O-N 2.84Å; L199-G201 PolarHBondContact O-N 3.23Å
202Y94.5Very high92Very high63 Ų6356.2 Ų56.225%0.24732%0.319CS..  trans-88123.9173.6-61.9-55000111.5L197 C198 R200 F204 I252 R253L197-Y202 HydrophobicContact CB-CD2 4.42Å; L197-Y202 HydrophobicContact CD2-CD2 4.07Å; L197-Y202 WeakPolarHBondContact O-CB 3.24Å; L197-Y202 PolarHBondContact O-N 3.11Å; C198-Y202 VanDerWaalsContact CA-O 3.29Å; C198-Y202 WeakPolarHBondContact CA-O 3.45Å; C198-Y202 PolarHBondContact SG-O 3.33Å; R200-Y202 HydrophobicContact CB-CD2 4.43Å; Y202-F204 HydrophobicContact CD2-CE2 4.5Å; Y202-F204 HydrophobicContact CG-CE2 4.22Å; Y202-F204 PolarHBondContact O-N 3.24Å; Y202-I252 HydrophobicContact CD1-CB 4.35Å; Y202-I252 HydrophobicContact CD1-CG2 3.73Å; Y202-I252 HydrophobicContact CD2-CB 4.36Å; Y202-I252 HydrophobicContact CD2-CG2 4.45Å; Y202-I252 HydrophobicContact CE1-CB 3.88Å; Y202-I252 HydrophobicContact CE1-CG2 3.57Å; Y202-I252 HydrophobicContact CE2-CB 3.84Å; Y202-I252 HydrophobicContact CE2-CG2 4.28Å; Y202-I252 HydrophobicContact CG-CG2 4.2Å; Y202-R253 PolarHBondContact OH-N 3.31Å
203S92.2Very high91.9Very high124 Ų12454.8 Ų54.887%0.86731%0.314SS*.  trans-79.476.6-178.2-51.50000112.6
204F91Very high91.8Very high23 Ų2356 Ų5610%0.10132%0.318CS..  trans-94142.3172.9-72.7-68.5000112.2I194 L197 C198 Y202 D209 V213 L246 I252I194-F204 HydrophobicContact CG2-CB 4Å; L197-F204 HydrophobicContact CB-CD2 3.76Å; L197-F204 HydrophobicContact CB-CE2 4Å; L197-F204 HydrophobicContact CD1-CD2 4.06Å; L197-F204 HydrophobicContact CD1-CE2 3.83Å; L197-F204 HydrophobicContact CG-CE2 4.42Å; C198-F204 PolarHBondContact SG-O 3.41Å; C198-F204 VanDerWaalsContact SG-O 3.41Å; Y202-F204 HydrophobicContact CD2-CE2 4.5Å; Y202-F204 HydrophobicContact CG-CE2 4.22Å; Y202-F204 PolarHBondContact O-N 3.24Å; F204-D209 WeakPolarHBondContact CA-OD2 3.48Å; F204-D209 HydrophobicContact CB-CB 4.33Å; F204-D209 HydrophobicContact CD1-CB 3.56Å; F204-D209 HydrophobicContact CE1-CB 4.35Å; F204-D209 HydrophobicContact CG-CB 4.4Å; F204-V213 HydrophobicContact CD1-CG2 4.1Å; F204-V213 HydrophobicContact CE1-CG2 4.24Å; F204-V213 HydrophobicContact CG-CG2 4.28Å; F204-L246 HydrophobicContact CE1-CD1 4.16Å; F204-L246 HydrophobicContact CE1-CD2 3.97Å; F204-L246 HydrophobicContact CZ-CD1 3.97Å; F204-L246 HydrophobicContact CZ-CD2 3.77Å; F204-I252 HydrophobicContact CE2-CD1 3.98Å; F204-I252 HydrophobicContact CZ-CD1 3.83Å
205N87Confident91.7Very high86 Ų8660.4 Ų60.446%0.4634%0.339SS..  trans-98.1135.5172-177.1-78.5000110.8S207 A208 D209N205-S207 PolarHBondContact O-N 3.05Å; N205-S207 VanDerWaalsContact O-N 3.13Å; N205-S207 PolarHBondContact OD1-N 3.25Å; N205-A208 HydrophobicContact CB-CB 4.11Å; N205-A208 PolarHBondContact OD1-N 3.44Å; N205-A208 VanDerWaalsContact OD1-N 3.07Å; N205-D209 PolarHBondContact N-OD2 3.5Å; N205-D209 WeakPolarHBondContact O-CB 3.48Å; N205-D209 PolarHBondContact O-N 3.39Å; N205-D209 VanDerWaalsContact O-N 3.16Å
206H83.4Confident91.7Very high106 Ų10656.1 Ų56.149%0.49132%0.32SS..THydrogen-bonded Turntrans-58.7-26.9-177.9-72-72000115.1F210H206-F210 WeakPolarHBondContact O-CB 3.48Å
207S79Confident91.8Very high105 Ų10555.8 Ų55.873%0.73432%0.318SS*.THydrogen-bonded Turntrans-101.2-51.6-178.8-60.10000111.7N205 D209N205-S207 PolarHBondContact O-N 3.05Å; N205-S207 VanDerWaalsContact O-N 3.13Å; N205-S207 PolarHBondContact OD1-N 3.25Å; S207-D209 PolarHBondContact O-N 2.88Å
208A81.6Confident91.7Very high62 Ų6260.6 Ų60.651%0.51234%0.341SS..THydrogen-bonded Turntrans-69.3-36-172.700000112.8N205N205-A208 HydrophobicContact CB-CB 4.11Å; N205-A208 PolarHBondContact OD1-N 3.44Å; N205-A208 VanDerWaalsContact OD1-N 3.07Å
209D88.3Confident91.8Very high45 Ų4565.6 Ų65.624%0.24136%0.357CS..SBendtrans-101.22.3-174.8-58.2-58.3000113.5F204 N205 S207 E211 T212 V213F204-D209 WeakPolarHBondContact CA-OD2 3.48Å; F204-D209 HydrophobicContact CB-CB 4.33Å; F204-D209 HydrophobicContact CD1-CB 3.56Å; F204-D209 HydrophobicContact CE1-CB 4.35Å; F204-D209 HydrophobicContact CG-CB 4.4Å; N205-D209 PolarHBondContact N-OD2 3.5Å; N205-D209 WeakPolarHBondContact O-CB 3.48Å; N205-D209 PolarHBondContact O-N 3.39Å; N205-D209 VanDerWaalsContact O-N 3.16Å; S207-D209 PolarHBondContact O-N 2.88Å; D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 2.79Å; D209-T212 WeakPolarHBondContact O-CB 3.19Å; D209-T212 PolarHBondContact O-N 3.24Å; D209-T212 VanDerWaalsContact O-N 3.08Å; D209-V213 PolarHBondContact O-N 3.01Å
210F90.6Very high92Very high24 Ų2460 Ų6011%0.10533%0.328CS..Hα-helixtrans-53-44.5-174.8-173.1-91000112.5R187 T190 R191 I194 H206 V213 R214R187-F210 HydrophobicContact CB-CZ 4.45Å; R187-F210 HydrophobicContact CG-CE2 4.31Å; R187-F210 HydrophobicContact CG-CZ 3.87Å; T190-F210 HydrophobicContact CG2-CD1 4.34Å; T190-F210 HydrophobicContact CG2-CD2 3.79Å; T190-F210 HydrophobicContact CG2-CE1 4.07Å; T190-F210 HydrophobicContact CG2-CE2 3.47Å; T190-F210 VanDerWaalsContact CG2-CE2 3.47Å; T190-F210 HydrophobicContact CG2-CG 4.21Å; T190-F210 HydrophobicContact CG2-CZ 3.62Å; T190-F210 WeakPolarHBondContact CG2-O 3.4Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.87Å; I194-F210 HydrophobicContact CD1-CD2 4.01Å; H206-F210 WeakPolarHBondContact O-CB 3.48Å; F210-V213 PolarHBondContact O-N 2.95Å; F210-R214 WeakPolarHBondContact O-CB 3.44Å; F210-R214 PolarHBondContact O-N 3.38Å
211E88.6Confident92.2Very high41 Ų4155.4 Ų55.419%0.19231%0.311CS..Hα-helixtrans-68.6-41.6-179.2-178.167.3-179.500112.3R65 D209 V213 R214 Q215R65-E211 VanDerWaalsContact NH1-CD 3.29Å; R65-E211 IonicContact NH1-OE1 2.8Å; R65-E211 IonicContact NH1-OE2 3.97Å; D209-E211 VanDerWaalsContact C-N 3.26Å; D209-E211 PolarHBondContact O-N 2.79Å; E211-V213 VanDerWaalsContact C-N 3.31Å; E211-V213 PolarHBondContact O-N 3.14Å; E211-R214 VanDerWaalsContact CD-NE 3.33Å; E211-R214 WeakPolarHBondContact O-CB 3.28Å; E211-R214 PolarHBondContact O-N 2.81Å; E211-R214 IonicContact OE1-CZ 3.09Å; E211-R214 IonicContact OE1-NE 2.71Å; E211-R214 PolarHBondContact OE1-NE 3.46Å; E211-R214 IonicContact OE1-NH2 2.63Å; E211-R214 PolarHBondContact OE1-NH2 3.38Å; E211-R214 IonicContact OE2-CZ 2.87Å; E211-R214 IonicContact OE2-NE 3.6Å; E211-R214 PolarHBondContact OE2-NE 3.43Å; E211-R214 IonicContact OE2-NH2 3.3Å; E211-Q215 WeakPolarHBondContact O-CG 3.14Å; E211-Q215 PolarHBondContact O-N 2.93Å
212T92.1Very high92.4Very high21 Ų2153.7 Ų53.713%0.12929%0.286CS..Hα-helixtrans-60.6-45.1176.9-58.60000110.1D209 Q215 L216 F244 L246 P247D209-T212 WeakPolarHBondContact O-CB 3.19Å; D209-T212 PolarHBondContact O-N 3.24Å; D209-T212 VanDerWaalsContact O-N 3.08Å; T212-Q215 PolarHBondContact O-N 3.36Å; T212-L216 PolarHBondContact O-N 2.66Å; T212-F244 HydrophobicContact CG2-CE1 4.31Å; T212-L246 HydrophobicContact CG2-CD2 3.78Å; T212-P247 HydrophobicContact CG2-CG 4.07Å
213V96.1Very high92.6Very high0 Ų050.8 Ų50.80%028%0.275CS..Hα-helixtrans-71.5-31178.3-178.70000111.7T190 L193 I194 L197 F204 D209 F210 E211 Q215 L216 K217T190-V213 HydrophobicContact CG2-CB 4.33Å; T190-V213 HydrophobicContact CG2-CG1 4.26Å; L193-V213 HydrophobicContact CB-CG1 3.96Å; L193-V213 HydrophobicContact CD2-CG1 3.75Å; L193-V213 HydrophobicContact CG-CG1 3.68Å; I194-V213 HydrophobicContact CD1-CB 4.44Å; I194-V213 HydrophobicContact CG1-CB 3.82Å; I194-V213 HydrophobicContact CG1-CG1 3.71Å; I194-V213 HydrophobicContact CG1-CG2 3.87Å; L197-V213 HydrophobicContact CD1-CG1 4.09Å; L197-V213 HydrophobicContact CD1-CG2 4.24Å; F204-V213 HydrophobicContact CD1-CG2 4.1Å; F204-V213 HydrophobicContact CE1-CG2 4.24Å; F204-V213 HydrophobicContact CG-CG2 4.28Å; D209-V213 PolarHBondContact O-N 3.01Å; F210-V213 PolarHBondContact O-N 2.95Å; E211-V213 VanDerWaalsContact C-N 3.31Å; E211-V213 PolarHBondContact O-N 3.14Å; V213-Q215 PolarHBondContact O-N 3.01Å; V213-L216 WeakPolarHBondContact O-CB 3.46Å; V213-L216 PolarHBondContact O-N 3.23Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å; V213-K217 PolarHBondContact O-N 2.89Å
214R95.4Very high92.9Very high24 Ų2444.9 Ų44.99%0.09123%0.234CC..Hα-helixtrans-61-43170.5-172.2-165.666.769.54.7111.5T190 F210 E211 K217 E218T190-R214 HydrophobicContact CG2-CB 4.04Å; F210-R214 WeakPolarHBondContact O-CB 3.44Å; F210-R214 PolarHBondContact O-N 3.38Å; E211-R214 VanDerWaalsContact CD-NE 3.33Å; E211-R214 WeakPolarHBondContact O-CB 3.28Å; E211-R214 PolarHBondContact O-N 2.81Å; E211-R214 IonicContact OE1-CZ 3.09Å; E211-R214 IonicContact OE1-NE 2.71Å; E211-R214 PolarHBondContact OE1-NE 3.46Å; E211-R214 IonicContact OE1-NH2 2.63Å; E211-R214 PolarHBondContact OE1-NH2 3.38Å; E211-R214 IonicContact OE2-CZ 2.87Å; E211-R214 IonicContact OE2-NE 3.6Å; E211-R214 PolarHBondContact OE2-NE 3.43Å; E211-R214 IonicContact OE2-NH2 3.3Å; R214-K217 WeakPolarHBondContact O-CB 3.36Å; R214-K217 PolarHBondContact O-N 3.17Å; R214-E218 IonicContact CZ-OE1 3.58Å; R214-E218 IonicContact NH1-OE1 2.8Å; R214-E218 PolarHBondContact NH1-OE1 3.28Å; R214-E218 IonicContact NH1-OE2 3.07Å; R214-E218 PolarHBondContact NH1-OE2 2.77Å; R214-E218 WeakPolarHBondContact O-CG 3.28Å; R214-E218 PolarHBondContact O-N 3.29Å
215Q94.7Very high93.2Very high94 Ų9449.7 Ų49.744%0.43925%0.252SS..Hα-helixtrans-67.2-40.7176.4-68.4177.111.100111.8E211 T212 V213 K217 E218 K219E211-Q215 WeakPolarHBondContact O-CG 3.14Å; E211-Q215 PolarHBondContact O-N 2.93Å; T212-Q215 PolarHBondContact O-N 3.36Å; V213-Q215 PolarHBondContact O-N 3.01Å; Q215-K217 VanDerWaalsContact C-N 3.34Å; Q215-K217 PolarHBondContact O-N 3.47Å; Q215-E218 PolarHBondContact O-N 3.2Å; Q215-K219 WeakPolarHBondContact O-CB 3.12Å; Q215-K219 PolarHBondContact O-N 2.88Å
216L97.4Very high93.6Very high1 Ų147.3 Ų47.31%0.00524%0.239CC..Hα-helixtrans-58.1-47.3172.7-173.8159.6000111L193 L197 T212 V213 E218 K219 L220 F244 I252 V254L193-L216 HydrophobicContact CD1-CD2 4.48Å; L193-L216 HydrophobicContact CD2-CD2 3.67Å; L193-L216 HydrophobicContact CG-CD2 4.39Å; L197-L216 HydrophobicContact CD1-CD1 4.19Å; T212-L216 PolarHBondContact O-N 2.66Å; V213-L216 WeakPolarHBondContact O-CB 3.46Å; V213-L216 PolarHBondContact O-N 3.23Å; L216-E218 PolarHBondContact O-N 3Å; L216-K219 PolarHBondContact O-N 3.13Å; L216-L220 HydrophobicContact CG-CD1 4.32Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.07Å; L216-F244 HydrophobicContact CB-CD1 4.28Å; L216-F244 HydrophobicContact CB-CD2 4.2Å; L216-F244 HydrophobicContact CB-CE1 4.01Å; L216-F244 HydrophobicContact CB-CE2 3.93Å; L216-F244 HydrophobicContact CB-CG 4.37Å; L216-F244 HydrophobicContact CB-CZ 3.83Å; L216-F244 HydrophobicContact CD1-CB 4.17Å; L216-F244 HydrophobicContact CD1-CD1 3.71Å; L216-F244 HydrophobicContact CD1-CD2 4.42Å; L216-F244 HydrophobicContact CD1-CE1 4.17Å; L216-F244 HydrophobicContact CD1-CG 3.84Å; L216-F244 HydrophobicContact CG-CB 4.46Å; L216-F244 HydrophobicContact CG-CD1 4.14Å; L216-F244 HydrophobicContact CG-CD2 4.01Å; L216-F244 HydrophobicContact CG-CE1 4.38Å; L216-F244 HydrophobicContact CG-CE2 4.27Å; L216-F244 HydrophobicContact CG-CG 3.94Å; L216-F244 HydrophobicContact CG-CZ 4.44Å; L216-I252 HydrophobicContact CD1-CD1 3.57Å; L216-I252 HydrophobicContact CD1-CG1 4.49Å; L216-V254 HydrophobicContact CD1-CG2 3.92Å; L216-V254 HydrophobicContact CD2-CG1 4.27Å; L216-V254 HydrophobicContact CD2-CG2 4.15Å; L216-V254 HydrophobicContact CG-CG2 4.34Å
217K98.3Very high94.2Very high7 Ų743.4 Ų43.43%0.0322%0.222CC..Hα-helixtrans-54.4-54.3175.7179.4-165.270.4176.40111.2G186 I189 T190 L193 V213 R214 Q215 K219 C221 F310G186-K217 PolarHBondContact O-NZ 3.15Å; I189-K217 HydrophobicContact CB-CD 4.05Å; I189-K217 HydrophobicContact CG2-CD 3.56Å; I189-K217 HydrophobicContact CG2-CG 4.03Å; T190-K217 WeakPolarHBondContact OG1-CE 3.41Å; T190-K217 PolarHBondContact OG1-NZ 3.26Å; L193-K217 HydrophobicContact CD2-CB 3.68Å; L193-K217 HydrophobicContact CD2-CG 4.33Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å; V213-K217 PolarHBondContact O-N 2.89Å; R214-K217 WeakPolarHBondContact O-CB 3.36Å; R214-K217 PolarHBondContact O-N 3.17Å; Q215-K217 VanDerWaalsContact C-N 3.34Å; Q215-K217 PolarHBondContact O-N 3.47Å; K217-K219 PolarHBondContact O-N 3.49Å; K217-C221 HydrophobicContact CG-CB 4.32Å; K217-C221 VanDerWaalsContact O-CB 3.23Å; K217-C221 WeakPolarHBondContact O-CB 3.48Å; K217-C221 PolarHBondContact O-N 3.36Å; K217-F310 HydrophobicContact CD-CE1 4.46Å; K217-F310 HydrophobicContact CD-CZ 3.98Å; K217-F310 HydrophobicContact CG-CE1 3.87Å; K217-F310 HydrophobicContact CG-CZ 3.89Å
218E97.2Very high94.9Very high101 Ų10145.2 Ų45.247%0.47222%0.219SC..Hα-helixtrans-63.4-29.5-178.2-73.4178.9-173.900113.1R214 Q215 L216R214-E218 IonicContact CZ-OE1 3.58Å; R214-E218 IonicContact NH1-OE1 2.8Å; R214-E218 PolarHBondContact NH1-OE1 3.28Å; R214-E218 IonicContact NH1-OE2 3.07Å; R214-E218 PolarHBondContact NH1-OE2 2.77Å; R214-E218 WeakPolarHBondContact O-CG 3.28Å; R214-E218 PolarHBondContact O-N 3.29Å; Q215-E218 PolarHBondContact O-N 3.2Å; L216-E218 PolarHBondContact O-N 3Å
219K97.7Very high95.6Very high154 Ų15447.1 Ų47.167%0.6722%0.218SC*.Hα-helixtrans-85.5-40.3-178.4-171.7177.6-179.4179.90113.6Q215 L216 K217 F244Q215-K219 WeakPolarHBondContact O-CB 3.12Å; Q215-K219 PolarHBondContact O-N 2.88Å; L216-K219 PolarHBondContact O-N 3.13Å; K217-K219 PolarHBondContact O-N 3.49Å; K219-F244 HydrophobicContact CD-CD2 4.21Å; K219-F244 HydrophobicContact CD-CE2 3.95Å
220L98.2Very high96Very high18 Ų1846.8 Ų46.89%0.09422%0.215CC..Hα-helixtrans-115.7-24.1-165.3-62.8-172.6000115L216 Q242 F244 V254 R258L216-L220 HydrophobicContact CG-CD1 4.32Å; L216-L220 WeakPolarHBondContact O-CB 3.48Å; L216-L220 PolarHBondContact O-N 3.07Å; L220-Q242 HydrophobicContact CD1-CB 4.34Å; L220-Q242 HydrophobicContact CD2-CB 4.24Å; L220-F244 HydrophobicContact CD1-CB 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.95Å; L220-F244 HydrophobicContact CD1-CG 4.3Å; L220-F244 HydrophobicContact CG-CD2 4.33Å; L220-V254 HydrophobicContact CD1-CB 4.3Å; L220-V254 HydrophobicContact CD1-CG2 4.03Å; L220-R258 HydrophobicContact CB-CG 4.34Å; L220-R258 PolarHBondContact O-NE 2.89Å; L220-R258 PolarHBondContact O-NH2 3.17Å
221C98.6Very high96.2Very high4 Ų450 Ų503%0.02723%0.23CC..  trans-78.1153.5-175.7-65.70000112.2K217 R258 P262 F310K217-C221 HydrophobicContact CG-CB 4.32Å; K217-C221 VanDerWaalsContact O-CB 3.23Å; K217-C221 WeakPolarHBondContact O-CB 3.48Å; K217-C221 PolarHBondContact O-N 3.36Å; C221-R258 CarbonylContact C-O 3.58Å; C221-R258 WeakPolarHBondContact CA-O 3.22Å; C221-R258 WeakPolarHBondContact CB-O 3.41Å; C221-P262 HydrophobicContact CB-CG 3.81Å; C221-F310 HydrophobicContact CB-CD1 4.03Å; C221-F310 HydrophobicContact CB-CE1 3.71Å
222Y98.6Very high96.6Very high24 Ų2454.7 Ų54.79%0.09425%0.246CC..  trans-151.2165.6178.964.1-82000109.9E230 L240 R258 F259 P262Y222-E230 PolarHBondContact OH-OE2 3.08Å; Y222-L240 WeakPolarHBondContact OH-CD2 3.26Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.68Å; Y222-R258 PolarHBondContact N-O 2.8Å; Y222-F259 HydrophobicContact CD2-CB 4.22Å; Y222-F259 HydrophobicContact CE1-CB 4.19Å; Y222-F259 HydrophobicContact CE2-CB 3.78Å; Y222-F259 WeakPolarHBondContact O-CA 3.47Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.48Å; Y222-P262 WeakPolarHBondContact O-CG 3.29Å
223V98.6Very high96.8Very high3 Ų356.3 Ų56.32%0.01825%0.254CS..  trans-98.1121.5174.1171.80000108.5P262 F266 F310 P311 F313 R316V223-P262 HydrophobicContact CG2-CB 3.87Å; V223-F266 HydrophobicContact CB-CE2 4.47Å; V223-F266 HydrophobicContact CG1-CD2 4.33Å; V223-F266 HydrophobicContact CG1-CE2 3.55Å; V223-F266 HydrophobicContact CG1-CZ 4Å; V223-F266 HydrophobicContact CG2-CE2 4.01Å; V223-F310 HydrophobicContact CG2-CB 3.76Å; V223-F310 HydrophobicContact CG2-CD2 4.4Å; V223-F310 HydrophobicContact CG2-CG 4.31Å; V223-P311 PolarHBondContact N-O 2.86Å; V223-F313 HydrophobicContact CB-CB 4.43Å; V223-F313 HydrophobicContact CG2-CB 4.13Å; V223-F313 HydrophobicContact CG2-CD2 3.98Å; V223-F313 HydrophobicContact CG2-CG 4.5Å; V223-R316 HydrophobicContact CG1-CB 3.51Å; V223-R316 HydrophobicContact CG1-CG 3.61Å
224A97.8Very high96.7Very high0 Ų057.8 Ų57.80%027%0.266CS..  trans-60.9131.6173.600000111V227 E230 F259 R316A224-V227 HydrophobicContact CB-CG2 4.21Å; A224-E230 HydrophobicContact CB-CB 4.19Å; A224-E230 HydrophobicContact CB-CG 3.7Å; A224-F259 HydrophobicContact CB-CB 4.13Å; A224-F259 HydrophobicContact CB-CD2 4.06Å; A224-F259 HydrophobicContact CB-CG 4.31Å; A224-R316 WeakPolarHBondContact O-CD 3.36Å; A224-R316 PolarHBondContact O-NH1 3.36Å
225Y97.3Very high96.7Very high124 Ų12464 Ų6449%0.48630%0.3SS..SBendtrans-72.1-37170.2-178.1-101.1000111.5S315 R319Y225-S315 WeakPolarHBondContact CE2-O 3.39Å; Y225-R319 HydrophobicContact CD2-CB 4.44Å; Y225-R319 HydrophobicContact CE2-CB 3.66Å; Y225-R319 HydrophobicContact CE2-CG 4.23Å; Y225-R319 VanDerWaalsContact CZ-CD 3.48Å; Y225-R319 WeakPolarHBondContact O-CD 3.47Å; Y225-R319 PolarHBondContact O-NE 3.22Å; Y225-R319 PolarHBondContact O-NH1 2.63Å
226D96Very high96.7Very high35 Ų3566.7 Ų66.719%0.18731%0.313CS..SBendtrans-135.4108.3176.4-163.4-55.6000108.7E228 Q229 E230 R319D226-E228 PolarHBondContact OD1-N 2.82Å; D226-Q229 HydrophobicContact CB-CB 3.82Å; D226-Q229 PolarHBondContact O-N 2.78Å; D226-Q229 PolarHBondContact OD1-N 3.06Å; D226-Q229 VanDerWaalsContact OD1-N 3.13Å; D226-E230 VanDerWaalsContact O-CG 3.31Å; D226-E230 WeakPolarHBondContact O-CG 3.37Å; D226-E230 PolarHBondContact O-N 3.35Å; D226-E230 VanDerWaalsContact O-N 3.08Å; D226-R319 IonicContact OD2-CZ 2.88Å; D226-R319 VanDerWaalsContact OD2-CZ 3.28Å; D226-R319 IonicContact OD2-NH1 3.15Å; D226-R319 PolarHBondContact OD2-NH1 2.88Å; D226-R319 IonicContact OD2-NH2 3.33Å; D226-R319 PolarHBondContact OD2-NH2 3.15Å
227V95.4Very high96.6Very high24 Ų2469.3 Ų69.315%0.14533%0.329CS..Hα-helixtrans-65.9-44.3-174.3-176.40000110.7A224 Q229 E230 E231 F259A224-V227 HydrophobicContact CB-CG2 4.21Å; V227-Q229 VanDerWaalsContact C-N 3.28Å; V227-Q229 PolarHBondContact O-N 3.28Å; V227-E230 PolarHBondContact O-N 3.15Å; V227-E230 VanDerWaalsContact O-N 3.14Å; V227-E231 HydrophobicContact CG1-CG 4.26Å; V227-E231 WeakPolarHBondContact O-CB 3.42Å; V227-E231 WeakPolarHBondContact O-CG 3.46Å; V227-E231 PolarHBondContact O-N 3.19Å; V227-F259 HydrophobicContact CG1-CE2 4.38Å
228E95.6Very high96.3Very high143 Ų14374.7 Ų74.767%0.66836%0.362SS*.Hα-helixtrans-63.3-34.9-179.7-61.7177.2-172.700112.1D226 R232D226-E228 PolarHBondContact OD1-N 2.82Å; E228-R232 WeakPolarHBondContact O-CG 3.49Å; E228-R232 PolarHBondContact O-N 2.7Å; E228-R232 PolarHBondContact O-NE 3.21Å
229Q95.7Very high96.2Very high102 Ų10277.4 Ų77.448%0.47737%0.372SS..Hα-helixtrans-69.6-43.8173.9-169.9179.31.900112.1D226 V227 R232 L233D226-Q229 HydrophobicContact CB-CB 3.82Å; D226-Q229 PolarHBondContact O-N 2.78Å; D226-Q229 PolarHBondContact OD1-N 3.06Å; D226-Q229 VanDerWaalsContact OD1-N 3.13Å; V227-Q229 VanDerWaalsContact C-N 3.28Å; V227-Q229 PolarHBondContact O-N 3.28Å; Q229-R232 PolarHBondContact O-N 2.89Å; Q229-L233 HydrophobicContact CG-CD1 4.5Å; Q229-L233 WeakPolarHBondContact O-CG 3.3Å; Q229-L233 PolarHBondContact O-N 3.49Å
230E96.2Very high96Very high38 Ų3870.5 Ų70.518%0.17834%0.343CS..Hα-helixtrans-66.5-38179.1-70.6-80.9177.200111.7Y222 A224 D226 V227 L233 A234 L240 F259Y222-E230 PolarHBondContact OH-OE2 3.08Å; A224-E230 HydrophobicContact CB-CB 4.19Å; A224-E230 HydrophobicContact CB-CG 3.7Å; D226-E230 VanDerWaalsContact O-CG 3.31Å; D226-E230 WeakPolarHBondContact O-CG 3.37Å; D226-E230 PolarHBondContact O-N 3.35Å; D226-E230 VanDerWaalsContact O-N 3.08Å; V227-E230 PolarHBondContact O-N 3.15Å; V227-E230 VanDerWaalsContact O-N 3.14Å; E230-L233 PolarHBondContact O-N 2.75Å; E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 2.93Å; E230-L240 WeakPolarHBondContact OE2-CD1 3.5Å; E230-F259 HydrophobicContact CB-CD1 4.07Å; E230-F259 HydrophobicContact CB-CD2 4.12Å; E230-F259 HydrophobicContact CB-CE1 3.85Å; E230-F259 HydrophobicContact CB-CE2 3.93Å; E230-F259 HydrophobicContact CB-CG 4.21Å; E230-F259 HydrophobicContact CB-CZ 3.79Å
231E95.7Very high95.9Very high92 Ų9271.7 Ų71.743%0.4335%0.351SS..Hα-helixtrans-60.3-46.8172.4-75.2175.9175.100111.9V227 L233 A234 L235 F259V227-E231 HydrophobicContact CG1-CG 4.26Å; V227-E231 WeakPolarHBondContact O-CB 3.42Å; V227-E231 WeakPolarHBondContact O-CG 3.46Å; V227-E231 PolarHBondContact O-N 3.19Å; E231-L233 PolarHBondContact O-N 3.16Å; E231-A234 WeakPolarHBondContact O-CB 3.48Å; E231-A234 PolarHBondContact O-N 3.49Å; E231-L235 WeakPolarHBondContact O-CG 3.48Å; E231-L235 PolarHBondContact O-N 3.47Å; E231-F259 HydrophobicContact CG-CE2 4.08Å; E231-F259 HydrophobicContact CG-CZ 4.06Å
232R96.5Very high95.9Very high139 Ų13975.2 Ų75.253%0.52537%0.367SS..Hα-helixtrans-59.9-45.2174.4-75.9-176.8-66.1177.20.1111.8E228 Q229 A234 L235 E236E228-R232 WeakPolarHBondContact O-CG 3.49Å; E228-R232 PolarHBondContact O-N 2.7Å; E228-R232 PolarHBondContact O-NE 3.21Å; Q229-R232 PolarHBondContact O-N 2.89Å; R232-A234 VanDerWaalsContact C-N 3.3Å; R232-A234 PolarHBondContact O-N 3.31Å; R232-L235 PolarHBondContact O-N 2.97Å; R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.49Å; R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 3.27Å
233L95.6Very high95.8Very high56 Ų5677.9 Ų77.929%0.29339%0.387SS..Hα-helixtrans-61.2-38.4176.8-73.8172000112.3Q229 E230 E231 T237 L240Q229-L233 HydrophobicContact CG-CD1 4.5Å; Q229-L233 WeakPolarHBondContact O-CG 3.3Å; Q229-L233 PolarHBondContact O-N 3.49Å; E230-L233 PolarHBondContact O-N 2.75Å; E231-L233 PolarHBondContact O-N 3.16Å; L233-T237 WeakPolarHBondContact O-CA 3.49Å; L233-T237 WeakPolarHBondContact O-CB 3.32Å; L233-T237 PolarHBondContact O-N 2.99Å; L233-T237 PolarHBondContact O-OG1 2.98Å; L233-L240 HydrophobicContact CB-CD1 4.17Å; L233-L240 HydrophobicContact CB-CG 4.5Å
234A94.9Very high95.7Very high31 Ų3178.5 Ų78.526%0.25639%0.39SS..Hα-helixtrans-67-36.8175.800000113.3E230 E231 R232 L240 F259E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 2.93Å; E231-A234 WeakPolarHBondContact O-CB 3.48Å; E231-A234 PolarHBondContact O-N 3.49Å; R232-A234 VanDerWaalsContact C-N 3.3Å; R232-A234 PolarHBondContact O-N 3.31Å; A234-L240 HydrophobicContact CB-CD1 3.96Å; A234-F259 HydrophobicContact CB-CE1 4.25Å
235L94.8Very high95.7Very high154 Ų15482.8 Ų82.881%0.80642%0.416SS*.Hα-helixtrans-80-39.8-179.9-70.7172.3000112.6E231 R232E231-L235 WeakPolarHBondContact O-CG 3.48Å; E231-L235 PolarHBondContact O-N 3.47Å; R232-L235 PolarHBondContact O-N 2.97Å
236E95.6Very high95.5Very high150 Ų15077.9 Ų77.970%0.70140%0.398SS*.Hα-helixtrans-90.5-18.8-172.5-64.1175.2-172.200113R232R232-E236 VanDerWaalsContact O-CB 3.27Å; R232-E236 WeakPolarHBondContact O-CB 3.49Å; R232-E236 WeakPolarHBondContact O-CG 3.35Å; R232-E236 PolarHBondContact O-N 3.27Å
237T94Very high95.1Very high56 Ų5681.4 Ų81.434%0.34442%0.423SS..  trans-139.4167.1-17485.20000112.9L233 F239L233-T237 WeakPolarHBondContact O-CA 3.49Å; L233-T237 WeakPolarHBondContact O-CB 3.32Å; L233-T237 PolarHBondContact O-N 2.99Å; L233-T237 PolarHBondContact O-OG1 2.98Å; T237-F239 WeakPolarHBondContact OG1-CB 3.35Å; T237-F239 PolarHBondContact OG1-N 3.1Å
238V93Very high94.8Very high121 Ų12184.9 Ų84.973%0.73344%0.44SS*.SBendtrans-99.89.3170-62.70000112.8L240 V241V238-L240 PolarHBondContact O-N 3.46Å; V238-V241 HydrophobicContact CB-CG2 4.25Å; V238-V241 WeakPolarHBondContact O-CB 3.47Å; V238-V241 PolarHBondContact O-N 2.99Å
239F93.7Very high94.7Very high157 Ų15780.4 Ų80.469%0.68943%0.433SS*.THydrogen-bonded Turntrans-59.4-35.1-172.9177.7-104.8000112.8T237 V241T237-F239 WeakPolarHBondContact OG1-CB 3.35Å; T237-F239 PolarHBondContact OG1-N 3.1Å; F239-V241 VanDerWaalsContact C-N 3.3Å; F239-V241 PolarHBondContact O-N 3Å
240L94.1Very high94.6Very high10 Ų1084 Ų845%0.05244%0.442CS..THydrogen-bonded Turntrans-79.2-11180-59-176000113.5Y222 E230 L233 A234 V238 Q242 R258 F259Y222-L240 WeakPolarHBondContact OH-CD2 3.26Å; E230-L240 WeakPolarHBondContact OE2-CD1 3.5Å; L233-L240 HydrophobicContact CB-CD1 4.17Å; L233-L240 HydrophobicContact CB-CG 4.5Å; A234-L240 HydrophobicContact CB-CD1 3.96Å; V238-L240 PolarHBondContact O-N 3.46Å; L240-Q242 PolarHBondContact O-N 3.46Å; L240-R258 WeakPolarHBondContact O-CD 3.34Å; L240-R258 PolarHBondContact O-NH1 3.28Å; L240-F259 HydrophobicContact CD1-CD1 4.22Å; L240-F259 HydrophobicContact CD1-CE1 3.85Å
241V96.6Very high94.6Very high43 Ų4386.4 Ų86.426%0.26146%0.46SS..  trans-76.2121.5-175.6-176.90000110.6V238 F239 R253 V254V238-V241 HydrophobicContact CB-CG2 4.25Å; V238-V241 WeakPolarHBondContact O-CB 3.47Å; V238-V241 PolarHBondContact O-N 2.99Å; F239-V241 VanDerWaalsContact C-N 3.3Å; F239-V241 PolarHBondContact O-N 3Å; V241-R253 HydrophobicContact CG1-CB 3.78Å; V241-R253 HydrophobicContact CG1-CG 4.21Å; V241-V254 CarbonylContact C-O 3.5Å; V241-V254 WeakPolarHBondContact CA-O 3.39Å
242Q97.3Very high94.6Very high78 Ų7882.4 Ų82.436%0.36444%0.441SS..EExtended strand (participates in β ladder)trans-122.9139.2177.5-68.6-66-41.300111.3L220 L240 V254 R258L220-Q242 HydrophobicContact CD1-CB 4.34Å; L220-Q242 HydrophobicContact CD2-CB 4.24Å; L240-Q242 PolarHBondContact O-N 3.46Å; Q242-V254 PolarHBondContact N-O 3Å; Q242-V254 PolarHBondContact O-N 2.85Å; Q242-R258 VanDerWaalsContact CG-NH1 3.28Å
243P97.2Very high94.6Very high80 Ų8083.9 Ų83.952%0.51945%0.446SS..EExtended strand (participates in β ladder)trans-76.6143.3174.231.7-33.2000111.4V251 I252P243-V251 HydrophobicContact CB-CG1 3.75Å; P243-I252 CarbonylContact C-O 3.58Å; P243-I252 WeakPolarHBondContact CA-O 3.29Å
244F97.2Very high94.7Very high15 Ų1581.2 Ų81.27%0.06643%0.432CS..EExtended strand (participates in β ladder)trans-133.3126.6169.9-172.3-93000110.3T212 L216 K219 L220 L246 V251 I252 V254T212-F244 HydrophobicContact CG2-CE1 4.31Å; L216-F244 HydrophobicContact CB-CD1 4.28Å; L216-F244 HydrophobicContact CB-CD2 4.2Å; L216-F244 HydrophobicContact CB-CE1 4.01Å; L216-F244 HydrophobicContact CB-CE2 3.93Å; L216-F244 HydrophobicContact CB-CG 4.37Å; L216-F244 HydrophobicContact CB-CZ 3.83Å; L216-F244 HydrophobicContact CD1-CB 4.17Å; L216-F244 HydrophobicContact CD1-CD1 3.71Å; L216-F244 HydrophobicContact CD1-CD2 4.42Å; L216-F244 HydrophobicContact CD1-CE1 4.17Å; L216-F244 HydrophobicContact CD1-CG 3.84Å; L216-F244 HydrophobicContact CG-CB 4.46Å; L216-F244 HydrophobicContact CG-CD1 4.14Å; L216-F244 HydrophobicContact CG-CD2 4.01Å; L216-F244 HydrophobicContact CG-CE1 4.38Å; L216-F244 HydrophobicContact CG-CE2 4.27Å; L216-F244 HydrophobicContact CG-CG 3.94Å; L216-F244 HydrophobicContact CG-CZ 4.44Å; K219-F244 HydrophobicContact CD-CD2 4.21Å; K219-F244 HydrophobicContact CD-CE2 3.95Å; L220-F244 HydrophobicContact CD1-CB 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.95Å; L220-F244 HydrophobicContact CD1-CG 4.3Å; L220-F244 HydrophobicContact CG-CD2 4.33Å; F244-L246 HydrophobicContact CD1-CD2 3.95Å; F244-L246 HydrophobicContact CE1-CD2 4.08Å; F244-V251 WeakPolarHBondContact O-CA 3.44Å; F244-I252 HydrophobicContact CB-CG1 4.02Å; F244-I252 HydrophobicContact CD1-CG1 4.45Å; F244-I252 PolarHBondContact N-O 3.15Å; F244-I252 WeakPolarHBondContact O-CG1 3.09Å; F244-I252 PolarHBondContact O-N 3.48Å; F244-V254 HydrophobicContact CB-CG2 4.4Å
245T96.4Very high94.8Very high90 Ų9079.9 Ų79.955%0.55242%0.422SS*.EExtended strand (participates in β ladder)trans-88.7121.8177.7-49.10000110R250 V251T245-R250 WeakPolarHBondContact CA-O 3.49Å; T245-V251 HydrophobicContact CG2-CG2 4.36Å
246L93.7Very high95Very high22 Ų2273.8 Ų73.812%0.11539%0.392CS..  trans-76.2162.6175.5-61.3-178.6000111.5F204 T212 F244 D248 G249 R250 I252F204-L246 HydrophobicContact CE1-CD1 4.16Å; F204-L246 HydrophobicContact CE1-CD2 3.97Å; F204-L246 HydrophobicContact CZ-CD1 3.97Å; F204-L246 HydrophobicContact CZ-CD2 3.77Å; T212-L246 HydrophobicContact CG2-CD2 3.78Å; F244-L246 HydrophobicContact CD1-CD2 3.95Å; F244-L246 HydrophobicContact CE1-CD2 4.08Å; L246-D248 VanDerWaalsContact CB-OD1 3.28Å; L246-D248 WeakPolarHBondContact CB-OD1 3.06Å; L246-D248 PolarHBondContact O-N 2.87Å; L246-D248 VanDerWaalsContact O-N 3.15Å; L246-G249 PolarHBondContact O-N 3.3Å; L246-R250 WeakPolarHBondContact CB-O 3.25Å; L246-R250 HydrophobicContact CD1-CB 4.25Å; L246-R250 PolarHBondContact N-O 3.01Å; L246-I252 HydrophobicContact CD1-CG2 3.8Å; L246-I252 HydrophobicContact CD2-CD1 4.12Å; L246-I252 HydrophobicContact CD2-CG1 4.28Å; L246-I252 HydrophobicContact CG-CG1 4.45Å; L246-I252 HydrophobicContact CG-CG2 4.22Å
247P88.7Confident95Very high109 Ų10967.1 Ų67.171%0.70836%0.361SS*.THydrogen-bonded Turntrans-58.6-26.3179.6-26.135.2000114.6T212 G249T212-P247 HydrophobicContact CG2-CG 4.07Å; P247-G249 VanDerWaalsContact C-N 3.25Å; P247-G249 PolarHBondContact O-N 2.88Å
248D89.2Confident95.2Very high96 Ų9666.3 Ų66.351%0.51335%0.351SS..THydrogen-bonded Turntrans-83.12.2176.271.4-12.7000113.6L246 R250L246-D248 VanDerWaalsContact CB-OD1 3.28Å; L246-D248 WeakPolarHBondContact CB-OD1 3.06Å; L246-D248 PolarHBondContact O-N 2.87Å; L246-D248 VanDerWaalsContact O-N 3.15Å; D248-R250 WeakPolarHBondContact OD1-CB 3.48Å; D248-R250 WeakPolarHBondContact OD1-CG 3.21Å; D248-R250 PolarHBondContact OD1-N 2.88Å; D248-R250 WeakPolarHBondContact OD2-CD 3.24Å; D248-R250 WeakPolarHBondContact OD2-CG 3.42Å; D248-R250 IonicContact OD2-CZ 3.52Å; D248-R250 IonicContact OD2-NE 2.74Å; D248-R250 PolarHBondContact OD2-NE 2.92Å; D248-R250 VanDerWaalsContact OD2-NE 3.1Å
249G93Very high95.5Very high50 Ų5060.6 Ų60.652%0.51532%0.317SS..SBendtrans87.5-6.9-179.400000114.9L246 P247L246-G249 PolarHBondContact O-N 3.3Å; P247-G249 VanDerWaalsContact C-N 3.25Å; P247-G249 PolarHBondContact O-N 2.88Å
250R93.6Very high95.7Very high177 Ų17755.6 Ų55.667%0.66830%0.296SS*.  trans-67.6141176.5-65.4179.1-172.2178.32.1110.4T245 L246 D248T245-R250 WeakPolarHBondContact CA-O 3.49Å; L246-R250 WeakPolarHBondContact CB-O 3.25Å; L246-R250 HydrophobicContact CD1-CB 4.25Å; L246-R250 PolarHBondContact N-O 3.01Å; D248-R250 WeakPolarHBondContact OD1-CB 3.48Å; D248-R250 WeakPolarHBondContact OD1-CG 3.21Å; D248-R250 PolarHBondContact OD1-N 2.88Å; D248-R250 WeakPolarHBondContact OD2-CD 3.24Å; D248-R250 WeakPolarHBondContact OD2-CG 3.42Å; D248-R250 IonicContact OD2-CZ 3.52Å; D248-R250 IonicContact OD2-NE 2.74Å; D248-R250 PolarHBondContact OD2-NE 2.92Å; D248-R250 VanDerWaalsContact OD2-NE 3.1Å
251V96Very high95.9Very high89 Ų8955.1 Ų55.154%0.53929%0.293SS..EExtended strand (participates in β ladder)trans-104.1119.4176-178.20000109.5P243 F244 T245P243-V251 HydrophobicContact CB-CG1 3.75Å; F244-V251 WeakPolarHBondContact O-CA 3.44Å; T245-V251 HydrophobicContact CG2-CG2 4.36Å
252I96.4Very high96Very high7 Ų753.1 Ų53.14%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-100.4158.1172.163.2162.8000110.6L197 Y202 F204 L216 P243 F244 L246 V254L197-I252 HydrophobicContact CD2-CD1 4.44Å; Y202-I252 HydrophobicContact CD1-CB 4.35Å; Y202-I252 HydrophobicContact CD1-CG2 3.73Å; Y202-I252 HydrophobicContact CD2-CB 4.36Å; Y202-I252 HydrophobicContact CD2-CG2 4.45Å; Y202-I252 HydrophobicContact CE1-CB 3.88Å; Y202-I252 HydrophobicContact CE1-CG2 3.57Å; Y202-I252 HydrophobicContact CE2-CB 3.84Å; Y202-I252 HydrophobicContact CE2-CG2 4.28Å; Y202-I252 HydrophobicContact CG-CG2 4.2Å; F204-I252 HydrophobicContact CE2-CD1 3.98Å; F204-I252 HydrophobicContact CZ-CD1 3.83Å; L216-I252 HydrophobicContact CD1-CD1 3.57Å; L216-I252 HydrophobicContact CD1-CG1 4.49Å; P243-I252 CarbonylContact C-O 3.58Å; P243-I252 WeakPolarHBondContact CA-O 3.29Å; F244-I252 HydrophobicContact CB-CG1 4.02Å; F244-I252 HydrophobicContact CD1-CG1 4.45Å; F244-I252 PolarHBondContact N-O 3.15Å; F244-I252 WeakPolarHBondContact O-CG1 3.09Å; F244-I252 PolarHBondContact O-N 3.48Å; L246-I252 HydrophobicContact CD1-CG2 3.8Å; L246-I252 HydrophobicContact CD2-CD1 4.12Å; L246-I252 HydrophobicContact CD2-CG1 4.28Å; L246-I252 HydrophobicContact CG-CG1 4.45Å; L246-I252 HydrophobicContact CG-CG2 4.22Å; I252-V254 HydrophobicContact CD1-CG2 4.19Å; I252-V254 HydrophobicContact CG1-CG2 4.42Å
253R96.7Very high96Very high170 Ų17049.6 Ų49.664%0.64227%0.265SS*.EExtended strand (participates in β ladder)trans-113.7121.4178.5-70.4-175.8178.2-174.9-0.6109.1R200 Y202 V241R200-R253 PolarHBondContact NE-O 2.8Å; Y202-R253 PolarHBondContact OH-N 3.31Å; V241-R253 HydrophobicContact CG1-CB 3.78Å; V241-R253 HydrophobicContact CG1-CG 4.21Å
254V97.3Very high96.1Very high0 Ų045.8 Ų45.80%024%0.24CC..EExtended strand (participates in β ladder)trans-112.9123.2-177.9-162.30000108.5L197 L216 L220 V241 Q242 F244 I252 E257 R258L197-V254 HydrophobicContact CD2-CG1 4.26Å; L197-V254 HydrophobicContact CD2-CG2 4.4Å; L216-V254 HydrophobicContact CD1-CG2 3.92Å; L216-V254 HydrophobicContact CD2-CG1 4.27Å; L216-V254 HydrophobicContact CD2-CG2 4.15Å; L216-V254 HydrophobicContact CG-CG2 4.34Å; L220-V254 HydrophobicContact CD1-CB 4.3Å; L220-V254 HydrophobicContact CD1-CG2 4.03Å; V241-V254 CarbonylContact C-O 3.5Å; V241-V254 WeakPolarHBondContact CA-O 3.39Å; Q242-V254 PolarHBondContact N-O 3Å; Q242-V254 PolarHBondContact O-N 2.85Å; F244-V254 HydrophobicContact CB-CG2 4.4Å; I252-V254 HydrophobicContact CD1-CG2 4.19Å; I252-V254 HydrophobicContact CG1-CG2 4.42Å; V254-E257 HydrophobicContact CG1-CB 4.06Å; V254-R258 HydrophobicContact CB-CG 4.14Å; V254-R258 HydrophobicContact CG1-CG 3.64Å; V254-R258 WeakPolarHBondContact O-CD 3.28Å
255G97.1Very high96.1Very high3 Ų345.1 Ų45.13%0.03124%0.237CC..  trans-114.1-110.7-176.100000111.3R200 E257 R258R200-G255 VanDerWaalsContact NH1-N 3.19Å; G255-E257 WeakPolarHBondContact CA-OE2 3.42Å; G255-E257 PolarHBondContact N-OE2 3.12Å; G255-E257 PolarHBondContact O-N 3.34Å; G255-R258 VanDerWaalsContact O-CB 3.29Å; G255-R258 WeakPolarHBondContact O-CB 3.39Å; G255-R258 WeakPolarHBondContact O-CD 3.46Å; G255-R258 WeakPolarHBondContact O-CG 3.44Å; G255-R258 PolarHBondContact O-N 2.97Å
256S97.3Very high96.2Very high26 Ų2641.5 Ų41.518%0.18221%0.213CC..THydrogen-bonded Turntrans-62.4-25.2-177.660.60000113.6R258 F259 E260S256-R258 PolarHBondContact O-N 3.38Å; S256-F259 VanDerWaalsContact O-CD1 3.27Å; S256-F259 WeakPolarHBondContact O-CD1 3.48Å; S256-F259 PolarHBondContact O-N 3.43Å; S256-E260 WeakPolarHBondContact CB-OE1 3.5Å; S256-E260 WeakPolarHBondContact O-CG 3.37Å; S256-E260 PolarHBondContact O-N 3.24Å; S256-E260 PolarHBondContact OG-OE1 3.19Å
257E97.6Very high96.4Very high11 Ų1143.3 Ų43.35%0.05122%0.221CC..Hα-helixtrans-57-23.6177.7-51.884.8170.100112.2L193 L196 R200 V254 G255 F259 A261L193-E257 HydrophobicContact CD1-CB 3.82Å; L196-E257 HydrophobicContact CB-CB 4.1Å; L196-E257 HydrophobicContact CB-CG 3.7Å; L196-E257 HydrophobicContact CD1-CB 4.13Å; L196-E257 HydrophobicContact CD1-CG 4.42Å; R200-E257 WeakPolarHBondContact CD-OE1 3.35Å; R200-E257 WeakPolarHBondContact CG-OE1 3.41Å; R200-E257 IonicContact CZ-OE1 2.87Å; R200-E257 IonicContact CZ-OE2 2.7Å; R200-E257 IonicContact NE-OE1 2.88Å; R200-E257 IonicContact NH1-OE1 3.3Å; R200-E257 PolarHBondContact NH1-OE1 2.98Å; R200-E257 IonicContact NH1-OE2 3.14Å; R200-E257 PolarHBondContact NH1-OE2 2.98Å; V254-E257 HydrophobicContact CG1-CB 4.06Å; G255-E257 WeakPolarHBondContact CA-OE2 3.42Å; G255-E257 PolarHBondContact N-OE2 3.12Å; G255-E257 PolarHBondContact O-N 3.34Å; E257-F259 VanDerWaalsContact C-N 3.31Å; E257-F259 PolarHBondContact O-N 3.43Å; E257-A261 VanDerWaalsContact O-CB 3.24Å; E257-A261 WeakPolarHBondContact O-CB 3.38Å; E257-A261 PolarHBondContact O-N 2.98Å; E257-A261 VanDerWaalsContact O-N 3.07Å
258R98.3Very high96.8Very high38 Ų3838.3 Ų38.314%0.14319%0.189CC..Hα-helixtrans-61.6-35.8177.1-64.2172.462-150.3-6.9112.8L220 C221 Y222 L240 Q242 V254 G255 S256 P262L220-R258 HydrophobicContact CB-CG 4.34Å; L220-R258 PolarHBondContact O-NE 2.89Å; L220-R258 PolarHBondContact O-NH2 3.17Å; C221-R258 CarbonylContact C-O 3.58Å; C221-R258 WeakPolarHBondContact CA-O 3.22Å; C221-R258 WeakPolarHBondContact CB-O 3.41Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.68Å; Y222-R258 PolarHBondContact N-O 2.8Å; L240-R258 WeakPolarHBondContact O-CD 3.34Å; L240-R258 PolarHBondContact O-NH1 3.28Å; Q242-R258 VanDerWaalsContact CG-NH1 3.28Å; V254-R258 HydrophobicContact CB-CG 4.14Å; V254-R258 HydrophobicContact CG1-CG 3.64Å; V254-R258 WeakPolarHBondContact O-CD 3.28Å; G255-R258 VanDerWaalsContact O-CB 3.29Å; G255-R258 WeakPolarHBondContact O-CB 3.39Å; G255-R258 WeakPolarHBondContact O-CD 3.46Å; G255-R258 WeakPolarHBondContact O-CG 3.44Å; G255-R258 PolarHBondContact O-N 2.97Å; S256-R258 PolarHBondContact O-N 3.38Å; R258-P262 WeakPolarHBondContact O-CD 3.05Å
259F98.2Very high97.2Very high1 Ų138.8 Ų38.80%0.00419%0.188CC..Hα-helixtrans-106.4-27.6177.972.6-96.9000112.9Y222 A224 V227 E230 E231 A234 L240 S256 E257 A261 P262 E263Y222-F259 HydrophobicContact CD2-CB 4.22Å; Y222-F259 HydrophobicContact CE1-CB 4.19Å; Y222-F259 HydrophobicContact CE2-CB 3.78Å; Y222-F259 WeakPolarHBondContact O-CA 3.47Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.48Å; A224-F259 HydrophobicContact CB-CB 4.13Å; A224-F259 HydrophobicContact CB-CD2 4.06Å; A224-F259 HydrophobicContact CB-CG 4.31Å; V227-F259 HydrophobicContact CG1-CE2 4.38Å; E230-F259 HydrophobicContact CB-CD1 4.07Å; E230-F259 HydrophobicContact CB-CD2 4.12Å; E230-F259 HydrophobicContact CB-CE1 3.85Å; E230-F259 HydrophobicContact CB-CE2 3.93Å; E230-F259 HydrophobicContact CB-CG 4.21Å; E230-F259 HydrophobicContact CB-CZ 3.79Å; E231-F259 HydrophobicContact CG-CE2 4.08Å; E231-F259 HydrophobicContact CG-CZ 4.06Å; A234-F259 HydrophobicContact CB-CE1 4.25Å; L240-F259 HydrophobicContact CD1-CD1 4.22Å; L240-F259 HydrophobicContact CD1-CE1 3.85Å; S256-F259 VanDerWaalsContact O-CD1 3.27Å; S256-F259 WeakPolarHBondContact O-CD1 3.48Å; S256-F259 PolarHBondContact O-N 3.43Å; E257-F259 VanDerWaalsContact C-N 3.31Å; E257-F259 PolarHBondContact O-N 3.43Å; F259-A261 VanDerWaalsContact C-N 3.31Å; F259-A261 PolarHBondContact O-N 3.34Å; F259-P262 WeakPolarHBondContact O-CD 3.46Å; F259-E263 PolarHBondContact O-N 2.86Å
260E98.1Very high97.3Very high53 Ų5338.7 Ų38.725%0.24818%0.175CC..Hα-helixtrans-63-38.8173.9-69.2169.1-170.300111.3Y192 L196 S256 E263Y192-E260 WeakPolarHBondContact CE1-O 3.32Å; L196-E260 HydrophobicContact CD1-CB 3.74Å; S256-E260 WeakPolarHBondContact CB-OE1 3.5Å; S256-E260 WeakPolarHBondContact O-CG 3.37Å; S256-E260 PolarHBondContact O-N 3.24Å; S256-E260 PolarHBondContact OG-OE1 3.19Å; E260-E263 VanDerWaalsContact O-CB 3.29Å; E260-E263 WeakPolarHBondContact O-CB 3.39Å; E260-E263 PolarHBondContact O-N 2.99Å
261A98.4Very high97.4Very high0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-63.5-49.7-176.200000113.3I189 Y192 L193 L196 E257 F259 E263 V264I189-A261 HydrophobicContact CG2-CB 4.16Å; Y192-A261 HydrophobicContact CD1-CB 4.5Å; L193-A261 HydrophobicContact CB-CB 3.82Å; L193-A261 HydrophobicContact CD1-CB 3.86Å; L193-A261 HydrophobicContact CG-CB 4.28Å; L196-A261 HydrophobicContact CD1-CB 4.1Å; E257-A261 VanDerWaalsContact O-CB 3.24Å; E257-A261 WeakPolarHBondContact O-CB 3.38Å; E257-A261 PolarHBondContact O-N 2.98Å; E257-A261 VanDerWaalsContact O-N 3.07Å; F259-A261 VanDerWaalsContact C-N 3.31Å; F259-A261 PolarHBondContact O-N 3.34Å; A261-E263 PolarHBondContact O-N 3.21Å; A261-V264 WeakPolarHBondContact O-CG2 3.38Å
262P98.4Very high97.4Very high0 Ų034.2 Ų34.20%016%0.161CC..Hα-helixtrans-69.5-15.1175.6-23.237.4000114.6I189 C221 Y222 V223 R258 F259 V264 L265 F310I189-P262 HydrophobicContact CG2-CG 4.43Å; C221-P262 HydrophobicContact CB-CG 3.81Å; Y222-P262 WeakPolarHBondContact O-CG 3.29Å; V223-P262 HydrophobicContact CG2-CB 3.87Å; R258-P262 WeakPolarHBondContact O-CD 3.05Å; F259-P262 WeakPolarHBondContact O-CD 3.46Å; P262-V264 PolarHBondContact O-N 3.36Å; P262-V264 VanDerWaalsContact O-N 3.16Å; P262-L265 PolarHBondContact O-N 2.83Å; P262-L265 VanDerWaalsContact O-N 3.14Å; P262-F310 HydrophobicContact CB-CD2 4.09Å; P262-F310 HydrophobicContact CB-CE2 4.15Å; P262-F310 HydrophobicContact CB-CG 4.32Å; P262-F310 HydrophobicContact CB-CZ 4.39Å; P262-F310 HydrophobicContact CG-CD1 3.97Å; P262-F310 HydrophobicContact CG-CD2 4.34Å; P262-F310 HydrophobicContact CG-CE1 3.87Å; P262-F310 HydrophobicContact CG-CE2 4.27Å; P262-F310 HydrophobicContact CG-CG 4.22Å; P262-F310 HydrophobicContact CG-CZ 4.03Å
263E98.3Very high97.3Very high5 Ų536.1 Ų36.12%0.02317%0.173CC..Hα-helixtrans-60.8-24.1-179.2-170.459.2-160.300112.2F259 E260 A261 L265 F266 Q267 L270 R316F259-E263 PolarHBondContact O-N 2.86Å; E260-E263 VanDerWaalsContact O-CB 3.29Å; E260-E263 WeakPolarHBondContact O-CB 3.39Å; E260-E263 PolarHBondContact O-N 2.99Å; A261-E263 PolarHBondContact O-N 3.21Å; E263-L265 PolarHBondContact O-N 3.07Å; E263-F266 CarbonylContact O-C 3.59Å; E263-F266 WeakPolarHBondContact O-CA 3.49Å; E263-F266 PolarHBondContact O-N 2.92Å; E263-Q267 HydrophobicContact CG-CB 4.3Å; E263-Q267 HydrophobicContact CG-CG 4.19Å; E263-Q267 PolarHBondContact O-N 3.31Å; E263-Q267 WeakPolarHBondContact OE1-CG 3.03Å; E263-Q267 PolarHBondContact OE1-NE2 3.42Å; E263-L270 HydrophobicContact CB-CD1 4.01Å; E263-L270 HydrophobicContact CG-CD1 3.85Å; E263-R316 IonicContact OE1-CZ 3.75Å; E263-R316 IonicContact OE1-NH1 3.38Å; E263-R316 IonicContact OE1-NH2 3.88Å; E263-R316 PolarHBondContact OE1-NH2 3.25Å; E263-R316 IonicContact OE2-CZ 2.89Å; E263-R316 IonicContact OE2-NH1 3.63Å; E263-R316 PolarHBondContact OE2-NH1 3.19Å; E263-R316 IonicContact OE2-NH2 3.1Å; E263-R316 PolarHBondContact OE2-NH2 2.85Å
264V97.9Very high97.2Very high0 Ų037 Ų370%018%0.184CC..THydrogen-bonded Turntrans-56.3-23.5175.2-55.90000113.8I184 I189 Y192 A261 P262 F266 Q267 P268 L270 I271I184-V264 HydrophobicContact CG2-CB 4.41Å; I184-V264 HydrophobicContact CG2-CG2 3.9Å; I189-V264 HydrophobicContact CG1-CG2 3.6Å; Y192-V264 HydrophobicContact CD1-CG1 3.17Å; Y192-V264 HydrophobicContact CE1-CG1 3.53Å; Y192-V264 HydrophobicContact CG-CG1 3.77Å; A261-V264 WeakPolarHBondContact O-CG2 3.38Å; P262-V264 PolarHBondContact O-N 3.36Å; P262-V264 VanDerWaalsContact O-N 3.16Å; V264-F266 VanDerWaalsContact C-N 3.31Å; V264-Q267 CarbonylContact O-C 3.58Å; V264-P268 WeakPolarHBondContact O-CA 3.42Å; V264-L270 HydrophobicContact CG1-CB 4.09Å; V264-L270 HydrophobicContact CG1-CD1 4.48Å; V264-I271 HydrophobicContact CB-CD1 4.46Å; V264-I271 HydrophobicContact CB-CG1 4.46Å; V264-I271 HydrophobicContact CB-CG2 4.46Å; V264-I271 HydrophobicContact CG1-CG2 3.71Å
265L98Very high97Very high0 Ų039.1 Ų39.10%020%0.202CC..THydrogen-bonded Turntrans-69.6-31.7173.6-68.5176.6000112I184 I189 P262 E263 L278 F313I184-L265 HydrophobicContact CG2-CD2 4.02Å; I189-L265 HydrophobicContact CD1-CD1 3.75Å; I189-L265 HydrophobicContact CD1-CD2 4.21Å; I189-L265 HydrophobicContact CD1-CG 3.84Å; I189-L265 HydrophobicContact CG1-CG 4.44Å; P262-L265 PolarHBondContact O-N 2.83Å; P262-L265 VanDerWaalsContact O-N 3.14Å; E263-L265 PolarHBondContact O-N 3.07Å; L265-L278 VanDerWaalsContact O-CB 3.29Å; L265-L278 WeakPolarHBondContact O-CB 3.44Å; L265-L278 PolarHBondContact O-N 2.88Å; L265-F313 HydrophobicContact CD1-CE2 3.83Å
266F98.1Very high97Very high14 Ų1442.5 Ų42.56%0.06122%0.219CC..THydrogen-bonded Turntrans-98-23.7-179.7-59.8-84.8000112V223 E263 V264 G277 S279 F313 R316 L317 E320V223-F266 HydrophobicContact CB-CE2 4.47Å; V223-F266 HydrophobicContact CG1-CD2 4.33Å; V223-F266 HydrophobicContact CG1-CE2 3.55Å; V223-F266 HydrophobicContact CG1-CZ 4Å; V223-F266 HydrophobicContact CG2-CE2 4.01Å; E263-F266 CarbonylContact O-C 3.59Å; E263-F266 WeakPolarHBondContact O-CA 3.49Å; E263-F266 PolarHBondContact O-N 2.92Å; V264-F266 VanDerWaalsContact C-N 3.31Å; F266-G277 VanDerWaalsContact O-CA 3.29Å; F266-G277 WeakPolarHBondContact O-CA 3.49Å; F266-S279 WeakPolarHBondContact CD1-OG 3.16Å; F266-S279 WeakPolarHBondContact CE1-OG 3.35Å; F266-F313 HydrophobicContact CZ-CD2 4.42Å; F266-F313 HydrophobicContact CZ-CE2 4.4Å; F266-R316 HydrophobicContact CD1-CG 4.21Å; F266-R316 HydrophobicContact CE1-CG 3.79Å; F266-R316 HydrophobicContact CE2-CG 4.22Å; F266-R316 HydrophobicContact CZ-CB 4.39Å; F266-R316 HydrophobicContact CZ-CG 3.8Å; F266-L317 HydrophobicContact CE1-CD1 4.4Å; F266-E320 WeakPolarHBondContact CD1-OE2 3.45Å
267Q97.4Very high96.9Very high61 Ų6141.5 Ų41.529%0.28521%0.213SC..  trans-132.775.3179.4-65-171.925.400111.1E263 V264 H269 L270E263-Q267 HydrophobicContact CG-CB 4.3Å; E263-Q267 HydrophobicContact CG-CG 4.19Å; E263-Q267 PolarHBondContact O-N 3.31Å; E263-Q267 WeakPolarHBondContact OE1-CG 3.03Å; E263-Q267 PolarHBondContact OE1-NE2 3.42Å; V264-Q267 CarbonylContact O-C 3.58Å; Q267-H269 PolarHBondContact O-N 3.17Å; Q267-H269 VanDerWaalsContact O-N 3.08Å; Q267-H269 PolarHBondContact OE1-CE1 3.33Å; Q267-L270 HydrophobicContact CB-CD1 3.81Å; Q267-L270 HydrophobicContact CB-CG 3.95Å; Q267-L270 WeakPolarHBondContact O-CB 3.35Å; Q267-L270 WeakPolarHBondContact O-CG 3.3Å; Q267-L270 PolarHBondContact O-N 3.24Å; Q267-L270 VanDerWaalsContact O-N 3.11Å
268P97.5Very high96.9Very high3 Ų341 Ų412%0.01921%0.211CC..G310 helixtrans-52-31.1-179.4-3542.3000115.4L182 I184 V264 L270 I271 V273 A275L182-P268 HydrophobicContact CD1-CG 4.32Å; I184-P268 HydrophobicContact CD1-CB 3.46Å; I184-P268 VanDerWaalsContact CD1-CB 3.46Å; I184-P268 HydrophobicContact CD1-CG 3.84Å; V264-P268 WeakPolarHBondContact O-CA 3.42Å; P268-L270 PolarHBondContact O-N 3.31Å; P268-L270 VanDerWaalsContact O-N 3.12Å; P268-I271 VanDerWaalsContact O-CG1 3.24Å; P268-I271 WeakPolarHBondContact O-CG1 3.43Å; P268-I271 PolarHBondContact O-N 2.89Å; P268-I271 VanDerWaalsContact O-N 3.13Å; P268-V273 CarbonylContact C-O 3.54Å; P268-V273 VanDerWaalsContact C-O 3.26Å; P268-V273 HydrophobicContact CB-CB 4.1Å; P268-V273 HydrophobicContact CB-CG1 4.17Å; P268-V273 VanDerWaalsContact CB-O 3.31Å; P268-V273 WeakPolarHBondContact CB-O 3.39Å; P268-V273 PolarHBondContact O-N 3.35Å; P268-A275 HydrophobicContact CB-CB 4.26Å; P268-A275 WeakPolarHBondContact CB-O 3.44Å; P268-A275 HydrophobicContact CG-CB 4.4Å; P268-A275 WeakPolarHBondContact CG-O 3.4Å
269H96.7Very high96.9Very high106 Ų10639.2 Ų39.249%0.49120%0.204SC..G310 helixtrans-61.7-19.9-179.767.5-92.6000113.9Q267 I271 D272 V273Q267-H269 PolarHBondContact O-N 3.17Å; Q267-H269 VanDerWaalsContact O-N 3.08Å; Q267-H269 PolarHBondContact OE1-CE1 3.33Å; H269-I271 PolarHBondContact O-N 2.66Å; H269-I271 VanDerWaalsContact O-N 3.15Å; H269-D272 PolarHBondContact O-N 3.17Å; H269-V273 PolarHBondContact N-O 3.36Å
270L96.4Very high96.9Very high48 Ų4842.9 Ų42.925%0.25122%0.221SC..G310 helixtrans-62-19.9175.5-66.7176.7000113.4Y192 E263 V264 Q267 P268Y192-L270 HydrophobicContact CE1-CB 4.49Å; E263-L270 HydrophobicContact CB-CD1 4.01Å; E263-L270 HydrophobicContact CG-CD1 3.85Å; V264-L270 HydrophobicContact CG1-CB 4.09Å; V264-L270 HydrophobicContact CG1-CD1 4.48Å; Q267-L270 HydrophobicContact CB-CD1 3.81Å; Q267-L270 HydrophobicContact CB-CG 3.95Å; Q267-L270 WeakPolarHBondContact O-CB 3.35Å; Q267-L270 WeakPolarHBondContact O-CG 3.3Å; Q267-L270 PolarHBondContact O-N 3.24Å; Q267-L270 VanDerWaalsContact O-N 3.11Å; P268-L270 PolarHBondContact O-N 3.31Å; P268-L270 VanDerWaalsContact O-N 3.12Å
271I96.2Very high96.9Very high37 Ų3741.2 Ų41.219%0.1921%0.214CC..G310 helixtrans-119.628.4174.757.8164.9000111.9I184 D188 Y192 V264 P268 H269 V273I184-I271 HydrophobicContact CD1-CD1 3.88Å; I184-I271 HydrophobicContact CD1-CG1 4.31Å; I184-I271 HydrophobicContact CG1-CD1 4.03Å; I184-I271 HydrophobicContact CG2-CD1 4.11Å; D188-I271 HydrophobicContact CB-CD1 4.1Å; Y192-I271 HydrophobicContact CD1-CG2 4.39Å; Y192-I271 HydrophobicContact CD2-CG2 3.55Å; Y192-I271 HydrophobicContact CE2-CG2 4.2Å; Y192-I271 HydrophobicContact CG-CG2 3.68Å; V264-I271 HydrophobicContact CB-CD1 4.46Å; V264-I271 HydrophobicContact CB-CG1 4.46Å; V264-I271 HydrophobicContact CB-CG2 4.46Å; V264-I271 HydrophobicContact CG1-CG2 3.71Å; P268-I271 VanDerWaalsContact O-CG1 3.24Å; P268-I271 WeakPolarHBondContact O-CG1 3.43Å; P268-I271 PolarHBondContact O-N 2.89Å; P268-I271 VanDerWaalsContact O-N 3.13Å; H269-I271 PolarHBondContact O-N 2.66Å; H269-I271 VanDerWaalsContact O-N 3.15Å; I271-V273 HydrophobicContact CD1-CG2 4.02Å; I271-V273 HydrophobicContact CG1-CB 4.41Å; I271-V273 HydrophobicContact CG1-CG2 3.92Å; I271-V273 PolarHBondContact O-N 3.34Å
272D95.3Very high96.9Very high136 Ų13641.2 Ų41.273%0.72721%0.214SC*.THydrogen-bonded Turntrans60.629.5176.9-50.3-57.5000113.4H269H269-D272 PolarHBondContact O-N 3.17Å
273V94.5Very high96.9Very high47 Ų4741.7 Ų41.729%0.28522%0.216SC..  trans-102.3114.7175.1177.40000110.1I184 P268 H269 I271 A275I184-V273 HydrophobicContact CD1-CB 3.99Å; I184-V273 HydrophobicContact CD1-CG1 3.97Å; I184-V273 HydrophobicContact CD1-CG2 4.23Å; I184-V273 HydrophobicContact CG1-CG1 4.41Å; I184-V273 HydrophobicContact CG1-CG2 4.47Å; P268-V273 CarbonylContact C-O 3.54Å; P268-V273 VanDerWaalsContact C-O 3.26Å; P268-V273 HydrophobicContact CB-CB 4.1Å; P268-V273 HydrophobicContact CB-CG1 4.17Å; P268-V273 VanDerWaalsContact CB-O 3.31Å; P268-V273 WeakPolarHBondContact CB-O 3.39Å; P268-V273 PolarHBondContact O-N 3.35Å; H269-V273 PolarHBondContact N-O 3.36Å; I271-V273 HydrophobicContact CD1-CG2 4.02Å; I271-V273 HydrophobicContact CG1-CB 4.41Å; I271-V273 HydrophobicContact CG1-CG2 3.92Å; I271-V273 PolarHBondContact O-N 3.34Å; V273-A275 VanDerWaalsContact C-N 3.34Å; V273-A275 HydrophobicContact CG1-CB 3.98Å; V273-A275 PolarHBondContact O-N 3.2Å
274E94.1Very high96.9Very high187 Ų18744.2 Ų44.287%0.87423%0.23SC*.  trans-77.180.3174.2-64.1-62.2152.700110.7
275A94Very high96.9Very high45 Ų4544.3 Ų44.337%0.37223%0.23SC..SBendtrans-148.3156.9175.400000111.4L182 P268 V273L182-A275 HydrophobicContact CD1-CB 3.78Å; P268-A275 HydrophobicContact CB-CB 4.26Å; P268-A275 WeakPolarHBondContact CB-O 3.44Å; P268-A275 HydrophobicContact CG-CB 4.4Å; P268-A275 WeakPolarHBondContact CG-O 3.4Å; V273-A275 VanDerWaalsContact C-N 3.34Å; V273-A275 HydrophobicContact CG1-CB 3.98Å; V273-A275 PolarHBondContact O-N 3.2Å
276N95.5Very high96.9Very high74 Ų7444.3 Ų44.340%0.39623%0.23SC..  trans-67.7141.4171.2-65.42.1000110E280 N284N276-E280 HydrophobicContact CB-CB 4.2Å; N276-E280 HydrophobicContact CB-CG 4.01Å; N276-N284 PolarHBondContact ND2-ND2 3.12Å
277G96.5Very high96.9Very high6 Ų645.5 Ų45.56%0.06224%0.236CC..  trans-61.7163.6172.100000113F266 S279 E280 M281F266-G277 VanDerWaalsContact O-CA 3.29Å; F266-G277 WeakPolarHBondContact O-CA 3.49Å; G277-S279 VanDerWaalsContact C-N 3.33Å; G277-S279 PolarHBondContact O-N 2.68Å; G277-E280 PolarHBondContact O-N 2.84Å; G277-E280 VanDerWaalsContact O-N 3.16Å; G277-M281 WeakPolarHBondContact O-CB 3.41Å; G277-M281 PolarHBondContact O-N 3.13Å
278L97.7Very high96.8Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-52.6-46.3-173.9-175.466.1000113.4V157 T164 I166 L265 M281 L282 F313V157-L278 HydrophobicContact CG1-CD1 3.87Å; V157-L278 HydrophobicContact CG1-CD2 4.11Å; V157-L278 HydrophobicContact CG1-CG 4.34Å; T164-L278 HydrophobicContact CG2-CD1 3.56Å; I166-L278 HydrophobicContact CD1-CD1 4.09Å; I166-L278 HydrophobicContact CG1-CD1 4.39Å; L265-L278 VanDerWaalsContact O-CB 3.29Å; L265-L278 WeakPolarHBondContact O-CB 3.44Å; L265-L278 PolarHBondContact O-N 2.88Å; L278-M281 HydrophobicContact CD1-CE 4.19Å; L278-M281 PolarHBondContact O-N 3.04Å; L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.05Å; L278-L282 PolarHBondContact O-N 3.05Å; L278-F313 HydrophobicContact CD2-CE1 4.12Å; L278-F313 HydrophobicContact CD2-CE2 4.04Å; L278-F313 HydrophobicContact CD2-CZ 3.33Å
279S98Very high96.8Very high0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-67.4-40.9-178.2-52.90000112.6F266 G277 L282 F283 L317 E320 L321F266-S279 WeakPolarHBondContact CD1-OG 3.16Å; F266-S279 WeakPolarHBondContact CE1-OG 3.35Å; G277-S279 VanDerWaalsContact C-N 3.33Å; G277-S279 PolarHBondContact O-N 2.68Å; S279-L282 PolarHBondContact O-N 2.93Å; S279-F283 WeakPolarHBondContact O-CB 3.44Å; S279-F283 PolarHBondContact O-N 3.22Å; S279-L317 VanDerWaalsContact OG-CD1 3.27Å; S279-L317 WeakPolarHBondContact OG-CD1 3.28Å; S279-E320 WeakPolarHBondContact CB-OE2 3.43Å; S279-E320 PolarHBondContact OG-OE2 2.81Å; S279-L321 WeakPolarHBondContact O-CD2 3.17Å
280E97.8Very high96.8Very high78 Ų7846.8 Ų46.836%0.36425%0.254SS..Hα-helixtrans-69.2-41.8176.7179.4171.4-158.300111.1N276 G277 L282 F283 N284 L324N276-E280 HydrophobicContact CB-CB 4.2Å; N276-E280 HydrophobicContact CB-CG 4.01Å; G277-E280 PolarHBondContact O-N 2.84Å; G277-E280 VanDerWaalsContact O-N 3.16Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.04Å; E280-F283 PolarHBondContact O-N 2.84Å; E280-N284 WeakPolarHBondContact O-CB 3.34Å; E280-N284 PolarHBondContact O-N 2.99Å; E280-N284 PolarHBondContact O-ND2 2.82Å; E280-L324 HydrophobicContact CB-CD1 4.37Å
281M97.9Very high96.7Very high19 Ų1950.6 Ų50.69%0.09427%0.273CS..Hα-helixtrans-58.5-45.9173.7-169.2173.968.600110.9I166 R180 L182 G277 L278 N284 V285I166-M281 HydrophobicContact CB-CE 4.46Å; I166-M281 HydrophobicContact CD1-CB 4.05Å; I166-M281 HydrophobicContact CD1-CE 3.4Å; I166-M281 VanDerWaalsContact CD1-CE 3.4Å; I166-M281 HydrophobicContact CD1-CG 3.97Å; I166-M281 HydrophobicContact CG1-CE 3.66Å; R180-M281 HydrophobicContact CB-CG 3.94Å; R180-M281 HydrophobicContact CB-SD 3.84Å; R180-M281 HydrophobicContact CG-CG 4.49Å; L182-M281 HydrophobicContact CB-CE 3.71Å; L182-M281 HydrophobicContact CB-SD 4.01Å; G277-M281 WeakPolarHBondContact O-CB 3.41Å; G277-M281 PolarHBondContact O-N 3.13Å; L278-M281 HydrophobicContact CD1-CE 4.19Å; L278-M281 PolarHBondContact O-N 3.04Å; M281-N284 PolarHBondContact O-N 3.03Å; M281-V285 VanDerWaalsContact O-CG2 3.27Å; M281-V285 WeakPolarHBondContact O-CG2 3.37Å; M281-V285 PolarHBondContact O-N 2.66Å
282L98.4Very high96.7Very high0 Ų055.8 Ų55.80%030%0.302CS..Hα-helixtrans-62.3-46.3176.8-17851000112.5V155 V157 I166 L278 S279 E280 N284 V285 I286 I301 L317 L321V155-L282 HydrophobicContact CB-CD1 4.45Å; V155-L282 HydrophobicContact CG1-CD1 3.6Å; V157-L282 HydrophobicContact CG2-CD1 4.07Å; V157-L282 HydrophobicContact CG2-CD2 3.74Å; I166-L282 VanDerWaalsContact CD1-CA 3.41Å; I166-L282 HydrophobicContact CD1-CB 3.59Å; I166-L282 HydrophobicContact CD1-CD1 4.2Å; I166-L282 HydrophobicContact CD1-CG 4.43Å; I166-L282 VanDerWaalsContact CD1-N 3.32Å; I166-L282 HydrophobicContact CG2-CD1 3.66Å; L278-L282 VanDerWaalsContact O-CB 3.31Å; L278-L282 WeakPolarHBondContact O-CB 3.05Å; L278-L282 PolarHBondContact O-N 3.05Å; S279-L282 PolarHBondContact O-N 2.93Å; E280-L282 VanDerWaalsContact C-N 3.33Å; E280-L282 PolarHBondContact O-N 3.04Å; L282-N284 VanDerWaalsContact C-N 3.34Å; L282-N284 PolarHBondContact O-N 3.29Å; L282-V285 PolarHBondContact O-N 3.48Å; L282-I286 HydrophobicContact CD1-CD1 3.92Å; L282-I286 HydrophobicContact CD1-CG1 4.27Å; L282-I286 HydrophobicContact CG-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CG1 3.11Å; L282-I286 PolarHBondContact O-N 2.8Å; L282-I301 HydrophobicContact CD2-CD1 4.26Å; L282-I301 HydrophobicContact CD2-CG2 4.13Å; L282-L317 HydrophobicContact CD2-CD1 4.01Å; L282-L317 HydrophobicContact CD2-CD2 3.99Å; L282-L317 HydrophobicContact CD2-CG 4.23Å; L282-L321 HydrophobicContact CB-CD2 4.22Å; L282-L321 HydrophobicContact CD2-CD1 3.73Å; L282-L321 HydrophobicContact CD2-CD2 4.28Å; L282-L321 HydrophobicContact CD2-CG 4.48Å; L282-L321 HydrophobicContact CG-CD1 4.28Å; L282-L321 HydrophobicContact CG-CD2 4.08Å
283F98.4Very high96.7Very high10 Ų1050 Ų504%0.04427%0.271CS..Hα-helixtrans-57.4-48.7176175.7-95000111.1S279 E280 V285 I286 Q287 Y298 L321 L324 Y325 N328 V329S279-F283 WeakPolarHBondContact O-CB 3.44Å; S279-F283 PolarHBondContact O-N 3.22Å; E280-F283 PolarHBondContact O-N 2.84Å; F283-V285 PolarHBondContact O-N 2.83Å; F283-I286 PolarHBondContact O-N 2.94Å; F283-Q287 HydrophobicContact CD1-CG 4.16Å; F283-Q287 HydrophobicContact CD2-CG 4.32Å; F283-Q287 HydrophobicContact CE1-CG 3.7Å; F283-Q287 HydrophobicContact CE2-CG 3.87Å; F283-Q287 HydrophobicContact CG-CG 4.44Å; F283-Q287 HydrophobicContact CZ-CG 3.53Å; F283-Q287 WeakPolarHBondContact O-CB 3.31Å; F283-Q287 WeakPolarHBondContact O-CG 3.48Å; F283-Q287 PolarHBondContact O-N 3.3Å; F283-Y298 VanDerWaalsContact CD2-OH 3.28Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.41Å; F283-Y298 WeakPolarHBondContact CE2-OH 3.24Å; F283-L321 HydrophobicContact CB-CD2 3.92Å; F283-L324 HydrophobicContact CB-CB 4.4Å; F283-L324 HydrophobicContact CB-CD1 3.65Å; F283-L324 HydrophobicContact CD1-CB 4.37Å; F283-L324 HydrophobicContact CD2-CB 3.66Å; F283-L324 HydrophobicContact CD2-CD1 4.48Å; F283-L324 HydrophobicContact CE2-CB 4.01Å; F283-L324 HydrophobicContact CG-CB 3.88Å; F283-L324 HydrophobicContact CG-CD1 3.98Å; F283-L324 HydrophobicContact CG-CG 4.5Å; F283-L324 HydrophobicContact CZ-CB 4.49Å; F283-Y325 HydrophobicContact CE2-CD2 4.39Å; F283-N328 HydrophobicContact CE1-CB 4.18Å; F283-N328 HydrophobicContact CZ-CB 3.84Å; F283-V329 HydrophobicContact CE2-CG2 3.94Å; F283-V329 HydrophobicContact CZ-CG2 3.76Å
284N98Very high96.8Very high57 Ų5750.7 Ų50.731%0.30527%0.269SS..Hα-helixtrans-64.5-38.7-179.3-69.6-21.1000112.2N276 E280 M281 L282 Q287 S288N276-N284 PolarHBondContact ND2-ND2 3.12Å; E280-N284 WeakPolarHBondContact O-CB 3.34Å; E280-N284 PolarHBondContact O-N 2.99Å; E280-N284 PolarHBondContact O-ND2 2.82Å; M281-N284 PolarHBondContact O-N 3.03Å; L282-N284 VanDerWaalsContact C-N 3.34Å; L282-N284 PolarHBondContact O-N 3.29Å; N284-Q287 PolarHBondContact O-N 2.92Å; N284-S288 WeakPolarHBondContact O-CB 3.36Å; N284-S288 PolarHBondContact O-N 2.91Å; N284-S288 PolarHBondContact O-OG 3.44Å
285V97.8Very high96.9Very high3 Ų346 Ų462%0.01825%0.249CC..Hα-helixtrans-60.6-49.2174.6167.90000110.9I166 P168 R180 M281 L282 F283 Q287 S288 A289I166-V285 HydrophobicContact CB-CG2 4.42Å; I166-V285 HydrophobicContact CG2-CB 4.04Å; I166-V285 HydrophobicContact CG2-CG1 3.86Å; I166-V285 HydrophobicContact CG2-CG2 4.04Å; P168-V285 HydrophobicContact CG-CG1 3.21Å; R180-V285 HydrophobicContact CB-CG2 3.85Å; R180-V285 HydrophobicContact CG-CG2 3.35Å; M281-V285 VanDerWaalsContact O-CG2 3.27Å; M281-V285 WeakPolarHBondContact O-CG2 3.37Å; M281-V285 PolarHBondContact O-N 2.66Å; L282-V285 PolarHBondContact O-N 3.48Å; F283-V285 PolarHBondContact O-N 2.83Å; V285-Q287 VanDerWaalsContact C-N 3.35Å; V285-Q287 PolarHBondContact O-N 3Å; V285-S288 PolarHBondContact O-N 3.24Å; V285-A289 PolarHBondContact O-N 3.01Å
286I98.2Very high97Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-65.3-40179.3-64172.1000110.8V155 L282 F283 S288 A289 R294 F297 Y298 I301V155-I286 HydrophobicContact CG2-CD1 4.44Å; V155-I286 HydrophobicContact CG2-CG1 4.08Å; L282-I286 HydrophobicContact CD1-CD1 3.92Å; L282-I286 HydrophobicContact CD1-CG1 4.27Å; L282-I286 HydrophobicContact CG-CD1 4.23Å; L282-I286 WeakPolarHBondContact O-CG1 3.11Å; L282-I286 PolarHBondContact O-N 2.8Å; F283-I286 PolarHBondContact O-N 2.94Å; I286-S288 VanDerWaalsContact C-N 3.26Å; I286-S288 PolarHBondContact O-N 3.34Å; I286-A289 WeakPolarHBondContact O-CB 3.47Å; I286-A289 PolarHBondContact O-N 3.18Å; I286-R294 HydrophobicContact CG2-CB 4.07Å; I286-R294 WeakPolarHBondContact O-CG 3.48Å; I286-F297 HydrophobicContact CD1-CB 4.44Å; I286-F297 HydrophobicContact CG1-CB 4.19Å; I286-F297 HydrophobicContact CG2-CB 4.06Å; I286-Y298 HydrophobicContact CB-CE1 4.33Å; I286-Y298 HydrophobicContact CB-CE2 4.39Å; I286-Y298 HydrophobicContact CD1-CD1 3.74Å; I286-Y298 HydrophobicContact CD1-CE1 3.67Å; I286-Y298 HydrophobicContact CD1-CG 4.37Å; I286-Y298 HydrophobicContact CG2-CD1 4.37Å; I286-Y298 HydrophobicContact CG2-CD2 3.77Å; I286-Y298 HydrophobicContact CG2-CE1 4.04Å; I286-Y298 HydrophobicContact CG2-CE2 3.39Å; I286-Y298 HydrophobicContact CG2-CG 4.23Å; I286-I301 HydrophobicContact CD1-CD1 4.1Å; I286-I301 HydrophobicContact CD1-CG1 4.42Å
287Q97.6Very high97.1Very high39 Ų3943.1 Ų43.118%0.18223%0.229CC..Hα-helixtrans-70.5-20.1177.5-70.4-56-37.500114F283 N284 V285 A289 R294 Y298F283-Q287 HydrophobicContact CD1-CG 4.16Å; F283-Q287 HydrophobicContact CD2-CG 4.32Å; F283-Q287 HydrophobicContact CE1-CG 3.7Å; F283-Q287 HydrophobicContact CE2-CG 3.87Å; F283-Q287 HydrophobicContact CG-CG 4.44Å; F283-Q287 HydrophobicContact CZ-CG 3.53Å; F283-Q287 WeakPolarHBondContact O-CB 3.31Å; F283-Q287 WeakPolarHBondContact O-CG 3.48Å; F283-Q287 PolarHBondContact O-N 3.3Å; N284-Q287 PolarHBondContact O-N 2.92Å; V285-Q287 VanDerWaalsContact C-N 3.35Å; V285-Q287 PolarHBondContact O-N 3Å; Q287-A289 VanDerWaalsContact C-N 3.34Å; Q287-R294 PolarHBondContact O-NE 2.88Å; Q287-R294 PolarHBondContact O-NH1 3.16Å; Q287-R294 PolarHBondContact O-NH2 3.37Å; Q287-Y298 PolarHBondContact NE2-OH 2.57Å
288S97.3Very high97.1Very high70 Ų7042.8 Ų42.849%0.4923%0.226SC..Hα-helixtrans-83.3-12.5175.1-58.60000112.9N284 V285 I286N284-S288 WeakPolarHBondContact O-CB 3.36Å; N284-S288 PolarHBondContact O-N 2.91Å; N284-S288 PolarHBondContact O-OG 3.44Å; V285-S288 PolarHBondContact O-N 3.24Å; I286-S288 VanDerWaalsContact C-N 3.26Å; I286-S288 PolarHBondContact O-N 3.34Å
289A97.2Very high97.1Very high3 Ų347.3 Ų47.33%0.02525%0.246CC..SBendtrans-75.4167.1175.500000112.6L178 V285 I286 Q287 R294 F297L178-A289 HydrophobicContact CD1-CB 3.74Å; V285-A289 PolarHBondContact O-N 3.01Å; I286-A289 WeakPolarHBondContact O-CB 3.47Å; I286-A289 PolarHBondContact O-N 3.18Å; Q287-A289 VanDerWaalsContact C-N 3.34Å; A289-R294 PolarHBondContact O-NE 2.9Å; A289-R294 PolarHBondContact O-NH2 3.24Å; A289-F297 HydrophobicContact CB-CD2 3.94Å; A289-F297 HydrophobicContact CB-CE2 3.63Å
290D95.8Very high97Very high124 Ų12448.9 Ų48.966%0.66325%0.254SS*.  trans-57.5137.8173.8-64.4-26.2000111D292 T293 R294D290-D292 PolarHBondContact O-N 3.09Å; D290-D292 VanDerWaalsContact O-N 3.12Å; D290-T293 HydrophobicContact CB-CG2 4.18Å; D290-T293 PolarHBondContact O-N 3.46Å; D290-T293 PolarHBondContact O-OG1 3.44Å; D290-R294 WeakPolarHBondContact O-CG 3.41Å; D290-R294 PolarHBondContact O-N 2.94Å
291I95.1Very high97.1Very high127 Ų12745.2 Ų45.265%0.65124%0.237SC*.Hα-helixtrans-51.3-42.6-172.5-65.6172.4000111.7T293 R294I291-T293 PolarHBondContact O-N 3.5Å; I291-R294 PolarHBondContact O-N 3.38Å
292D94.7Very high97Very high147 Ų14744.3 Ų44.379%0.78623%0.233SC*.Hα-helixtrans-68.8-21.4-177-60.6-28.3000113.3D290D290-D292 PolarHBondContact O-N 3.09Å; D290-D292 VanDerWaalsContact O-N 3.12Å
293T95.3Very high97Very high14 Ų1444.3 Ų44.39%0.08623%0.233CC..Hα-helixtrans-90.7-24.8-178.968.40000113.1Y170 D290 I291 L295 V296 F297Y170-T293 HydrophobicContact CD2-CG2 3.94Å; Y170-T293 HydrophobicContact CE2-CG2 3.76Å; D290-T293 HydrophobicContact CB-CG2 4.18Å; D290-T293 PolarHBondContact O-N 3.46Å; D290-T293 PolarHBondContact O-OG1 3.44Å; I291-T293 PolarHBondContact O-N 3.5Å; T293-L295 PolarHBondContact O-N 3.08Å; T293-V296 WeakPolarHBondContact O-CA 3.42Å; T293-V296 WeakPolarHBondContact O-CB 3.42Å; T293-V296 PolarHBondContact O-N 2.97Å; T293-F297 PolarHBondContact O-N 2.77Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.46Å
294R97.2Very high96.9Very high62 Ų6243.9 Ų43.923%0.23423%0.231CC..Hα-helixtrans-58.1-44.9-169.9-55.7-170.5-176.2165.77.3113.3I286 Q287 A289 D290 I291 V296 F297 Y298I286-R294 HydrophobicContact CG2-CB 4.07Å; I286-R294 WeakPolarHBondContact O-CG 3.48Å; Q287-R294 PolarHBondContact O-NE 2.88Å; Q287-R294 PolarHBondContact O-NH1 3.16Å; Q287-R294 PolarHBondContact O-NH2 3.37Å; A289-R294 PolarHBondContact O-NE 2.9Å; A289-R294 PolarHBondContact O-NH2 3.24Å; D290-R294 WeakPolarHBondContact O-CG 3.41Å; D290-R294 PolarHBondContact O-N 2.94Å; I291-R294 PolarHBondContact O-N 3.38Å; R294-V296 VanDerWaalsContact C-N 3.26Å; R294-V296 PolarHBondContact O-N 3.19Å; R294-F297 WeakPolarHBondContact O-CB 3.36Å; R294-F297 PolarHBondContact O-N 3.32Å; R294-Y298 WeakPolarHBondContact O-CD2 3.34Å; R294-Y298 PolarHBondContact O-N 3.02Å
295L95.6Very high96.8Very high88 Ų8841.5 Ų41.546%0.46122%0.22SC..Hα-helixtrans-67.6-28.8179.8-67.9-179.6000112.5T293 K299T293-L295 PolarHBondContact O-N 3.08Å; L295-K299 WeakPolarHBondContact O-CD 3.27Å; L295-K299 VanDerWaalsContact O-CG 3.28Å; L295-K299 WeakPolarHBondContact O-CG 3.3Å; L295-K299 PolarHBondContact O-N 2.94Å
296V96.1Very high96.7Very high58 Ų5843 Ų4335%0.35224%0.236SC..Hα-helixtrans-71.3-43.9173.4-176.90000109.5T153 T293 R294 Y298 K299 N300T153-V296 HydrophobicContact CG2-CG1 3.68Å; T293-V296 WeakPolarHBondContact O-CA 3.42Å; T293-V296 WeakPolarHBondContact O-CB 3.42Å; T293-V296 PolarHBondContact O-N 2.97Å; R294-V296 VanDerWaalsContact C-N 3.26Å; R294-V296 PolarHBondContact O-N 3.19Å; V296-Y298 PolarHBondContact O-N 3.23Å; V296-K299 PolarHBondContact O-N 3.01Å; V296-K299 VanDerWaalsContact O-N 3.11Å; V296-N300 PolarHBondContact O-N 3.32Å; V296-N300 VanDerWaalsContact O-N 3.14Å
297F97.8Very high96.7Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-59.7-45.2175.5-71.2-25.3000113.3T153 V155 P168 I169 L175 I286 A289 T293 R294 K299 N300 I301T153-F297 HydrophobicContact CG2-CD1 4.27Å; T153-F297 HydrophobicContact CG2-CE1 3.88Å; V155-F297 HydrophobicContact CG2-CB 3.57Å; V155-F297 HydrophobicContact CG2-CD1 3.71Å; V155-F297 HydrophobicContact CG2-CD2 4.16Å; V155-F297 HydrophobicContact CG2-CE1 4.44Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; P168-F297 HydrophobicContact CB-CE1 4.45Å; P168-F297 HydrophobicContact CB-CE2 4.15Å; P168-F297 HydrophobicContact CB-CZ 4Å; I169-F297 WeakPolarHBondContact O-CE1 3.4Å; L175-F297 HydrophobicContact CD1-CZ 4.1Å; I286-F297 HydrophobicContact CD1-CB 4.44Å; I286-F297 HydrophobicContact CG1-CB 4.19Å; I286-F297 HydrophobicContact CG2-CB 4.06Å; A289-F297 HydrophobicContact CB-CD2 3.94Å; A289-F297 HydrophobicContact CB-CE2 3.63Å; T293-F297 PolarHBondContact O-N 2.77Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.46Å; R294-F297 WeakPolarHBondContact O-CB 3.36Å; R294-F297 PolarHBondContact O-N 3.32Å; F297-K299 PolarHBondContact O-N 3.42Å; F297-N300 CarbonylContact O-C 3.51Å; F297-N300 PolarHBondContact O-N 3.26Å; F297-N300 VanDerWaalsContact O-N 3.09Å; F297-I301 WeakPolarHBondContact O-CG1 3.44Å; F297-I301 PolarHBondContact O-N 3.27Å
298Y97.8Very high96.8Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-61.4-27.4175.1-77.9-60.7000113.7F283 I286 Q287 R294 V296 I301 Y325 F340 I342 R343F283-Y298 VanDerWaalsContact CD2-OH 3.28Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.41Å; F283-Y298 WeakPolarHBondContact CE2-OH 3.24Å; I286-Y298 HydrophobicContact CB-CE1 4.33Å; I286-Y298 HydrophobicContact CB-CE2 4.39Å; I286-Y298 HydrophobicContact CD1-CD1 3.74Å; I286-Y298 HydrophobicContact CD1-CE1 3.67Å; I286-Y298 HydrophobicContact CD1-CG 4.37Å; I286-Y298 HydrophobicContact CG2-CD1 4.37Å; I286-Y298 HydrophobicContact CG2-CD2 3.77Å; I286-Y298 HydrophobicContact CG2-CE1 4.04Å; I286-Y298 HydrophobicContact CG2-CE2 3.39Å; I286-Y298 HydrophobicContact CG2-CG 4.23Å; Q287-Y298 PolarHBondContact NE2-OH 2.57Å; R294-Y298 WeakPolarHBondContact O-CD2 3.34Å; R294-Y298 PolarHBondContact O-N 3.02Å; V296-Y298 PolarHBondContact O-N 3.23Å; Y298-I301 HydrophobicContact CD1-CD1 4.45Å; Y298-Y325 HydrophobicContact CD2-CE2 4.43Å; Y298-Y325 AromaticContact CE2-CD2 3.87Å; Y298-Y325 HydrophobicContact CE2-CD2 3.87Å; Y298-Y325 AromaticContact CE2-CE2 3.82Å; Y298-Y325 HydrophobicContact CE2-CE2 3.82Å; Y298-Y325 AromaticContact CZ-CD2 3.9Å; Y298-F340 HydrophobicContact CD1-CE2 4.41Å; Y298-F340 AromaticContact CD1-CZ 3.88Å; Y298-F340 HydrophobicContact CD1-CZ 3.88Å; Y298-F340 AromaticContact CD2-CE2 3.86Å; Y298-F340 HydrophobicContact CD2-CE2 3.86Å; Y298-F340 HydrophobicContact CD2-CZ 4.12Å; Y298-F340 HydrophobicContact CE1-CZ 4.24Å; Y298-F340 HydrophobicContact CE2-CE2 4.36Å; Y298-F340 HydrophobicContact CE2-CZ 4.45Å; Y298-F340 AromaticContact CG-CE2 3.9Å; Y298-F340 HydrophobicContact CG-CE2 3.9Å; Y298-F340 AromaticContact CG-CZ 3.82Å; Y298-F340 HydrophobicContact CG-CZ 3.82Å; Y298-I342 HydrophobicContact CD1-CD1 4.46Å; Y298-I342 CarbonylContact O-C 3.5Å; Y298-I342 VanDerWaalsContact O-CA 3.32Å; Y298-I342 WeakPolarHBondContact O-CA 3.44Å; Y298-I342 WeakPolarHBondContact O-CG1 3.35Å; Y298-R343 PolarHBondContact O-N 3.14Å
299K96.8Very high96.8Very high95 Ų9541.3 Ų41.341%0.41322%0.222SC..Hα-helixtrans-85.7-11.9177.7-70.6172.3-175.1172.80113.6L295 V296 F297 K341 R343L295-K299 WeakPolarHBondContact O-CD 3.27Å; L295-K299 VanDerWaalsContact O-CG 3.28Å; L295-K299 WeakPolarHBondContact O-CG 3.3Å; L295-K299 PolarHBondContact O-N 2.94Å; V296-K299 PolarHBondContact O-N 3.01Å; V296-K299 VanDerWaalsContact O-N 3.11Å; F297-K299 PolarHBondContact O-N 3.42Å; K299-K341 HydrophobicContact CG-CB 4.46Å; K299-R343 WeakPolarHBondContact O-CB 3.3Å
300N96.8Very high96.8Very high33 Ų3341.8 Ų41.818%0.17622%0.223CC..  trans-134.253.1-173.5-64.9-14.1000110.5T153 G154 V155 V296 F297T153-N300 WeakPolarHBondContact O-CB 3.41Å; T153-N300 PolarHBondContact O-ND2 2.89Å; G154-N300 CarbonylContact C-O 3.39Å; G154-N300 WeakPolarHBondContact CA-O 3.34Å; V155-N300 PolarHBondContact N-O 2.82Å; V296-N300 PolarHBondContact O-N 3.32Å; V296-N300 VanDerWaalsContact O-N 3.14Å; F297-N300 CarbonylContact O-C 3.51Å; F297-N300 PolarHBondContact O-N 3.26Å; F297-N300 VanDerWaalsContact O-N 3.09Å
301I98.2Very high96.9Very high0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-87123.7170.9-58173.9000107.4V155 V157 L282 I286 F297 Y298 L321 I342 R343 I344 E345V155-I301 CarbonylContact O-C 3.26Å; V155-I301 WeakPolarHBondContact O-CA 3.39Å; V157-I301 HydrophobicContact CG2-CG2 4.02Å; L282-I301 HydrophobicContact CD2-CD1 4.26Å; L282-I301 HydrophobicContact CD2-CG2 4.13Å; I286-I301 HydrophobicContact CD1-CD1 4.1Å; I286-I301 HydrophobicContact CD1-CG1 4.42Å; F297-I301 WeakPolarHBondContact O-CG1 3.44Å; F297-I301 PolarHBondContact O-N 3.27Å; Y298-I301 HydrophobicContact CD1-CD1 4.45Å; I301-L321 HydrophobicContact CD1-CD1 3.69Å; I301-I342 HydrophobicContact CD1-CD1 4.2Å; I301-I342 HydrophobicContact CD1-CG1 4.29Å; I301-R343 PolarHBondContact N-O 3.17Å; I301-I344 HydrophobicContact CB-CG1 4.19Å; I301-I344 HydrophobicContact CD1-CG1 4.25Å; I301-I344 HydrophobicContact CG2-CG1 4.32Å; I301-I344 HydrophobicContact CG2-CG2 4.32Å; I301-I344 CarbonylContact O-C 3.59Å; I301-I344 WeakPolarHBondContact O-CA 3.5Å; I301-E345 PolarHBondContact O-N 2.82Å
302V97.8Very high97.1Very high0 Ų035.3 Ų35.30%020%0.201CC..EExtended strand (participates in β ladder)trans-118.4127.1-178.6-175.90000109.8T145 L146 Q149 L151 V155 V156 V157 E345 M353T145-V302 HydrophobicContact CG2-CG1 3.83Å; L146-V302 HydrophobicContact CD2-CB 4Å; L146-V302 HydrophobicContact CD2-CG2 3.52Å; Q149-V302 HydrophobicContact CG-CG1 4.01Å; L151-V302 HydrophobicContact CD1-CG2 3.83Å; V155-V302 PolarHBondContact O-N 3.05Å; V156-V302 WeakPolarHBondContact CA-O 3.22Å; V157-V302 PolarHBondContact N-O 3.33Å; V302-E345 HydrophobicContact CG2-CB 4.33Å; V302-M353 HydrophobicContact CG1-SD 3.97Å
303L98Very high97.2Very high0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-90.6134.8176.9-55.5-171.5000110.9V157 T308 F313 P314 L317 I344 E345 A346 R350V157-L303 HydrophobicContact CB-CD2 3.75Å; V157-L303 HydrophobicContact CG1-CD2 4.29Å; V157-L303 HydrophobicContact CG2-CD2 4.15Å; L303-T308 HydrophobicContact CB-CG2 4.31Å; L303-F313 HydrophobicContact CD1-CD1 3.65Å; L303-F313 HydrophobicContact CD1-CE1 3.81Å; L303-F313 HydrophobicContact CD2-CE1 4.11Å; L303-P314 HydrophobicContact CD1-CB 4.17Å; L303-P314 HydrophobicContact CD1-CG 3.95Å; L303-L317 HydrophobicContact CD2-CD2 3.81Å; L303-I344 HydrophobicContact CD1-CG2 3.79Å; L303-I344 HydrophobicContact CD2-CG2 3.9Å; L303-I344 HydrophobicContact CG-CG2 3.65Å; L303-E345 PolarHBondContact N-O 3.5Å; L303-A346 HydrophobicContact CD1-CB 3.89Å; L303-A346 HydrophobicContact CG-CB 4.41Å; L303-R350 WeakPolarHBondContact O-CB 3.25Å
304S96.8Very high97.4Very high1 Ų129 Ų291%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-137.7157175.2175.10000111.1V157 D158 S159 T308V157-S304 PolarHBondContact O-N 3.5Å; D158-S304 WeakPolarHBondContact CA-O 3.47Å; D158-S304 WeakPolarHBondContact OD2-CB 3.46Å; D158-S304 PolarHBondContact OD2-OG 3.4Å; S159-S304 PolarHBondContact N-O 3.33Å; S304-T308 WeakPolarHBondContact O-CG2 3.38Å; S304-T308 PolarHBondContact O-OG1 3.1Å
305G95.5Very high97.4Very high7 Ų729 Ų297%0.07218%0.178CC..SBendtrans93.6157.4172.700000113.7S159 S307 T308 R350S159-G305 CarbonylContact O-C 3.45Å; S159-G305 WeakPolarHBondContact O-CA 3.37Å; G305-S307 VanDerWaalsContact C-N 3.31Å; G305-S307 PolarHBondContact O-N 2.94Å; G305-T308 PolarHBondContact O-N 3.32Å; G305-T308 PolarHBondContact O-OG1 3.22Å; G305-R350 PolarHBondContact N-O 3.01Å
306G96Very high97.5Very high34 Ų3425.2 Ų25.235%0.35116%0.157SC..G310 helixtrans-64-31.4-171.200000114.4S159 T308 M309S159-G306 PolarHBondContact O-N 3.23Å; G306-T308 VanDerWaalsContact C-N 3.25Å; G306-T308 PolarHBondContact O-N 2.89Å; G306-M309 WeakPolarHBondContact O-CB 3.26Å; G306-M309 VanDerWaalsContact O-CG 3.3Å; G306-M309 WeakPolarHBondContact O-CG 3.42Å; G306-M309 PolarHBondContact O-N 2.91Å
307S97.8Very high97.6Very high5 Ų522.4 Ų22.44%0.03514%0.141CC..G310 helixtrans-79.8-7.2-178.5-61.90000113.1S159 G160 G186 G305 M309 F310S159-S307 WeakPolarHBondContact O-CB 3.45Å; S159-S307 PolarHBondContact O-N 3.03Å; S159-S307 VanDerWaalsContact OG-CB 3.3Å; S159-S307 WeakPolarHBondContact OG-CB 3.42Å; G160-S307 PolarHBondContact O-OG 3.35Å; G186-S307 WeakPolarHBondContact CA-OG 3.08Å; G186-S307 PolarHBondContact N-OG 3.23Å; G186-S307 VanDerWaalsContact N-OG 3.1Å; G305-S307 VanDerWaalsContact C-N 3.31Å; G305-S307 PolarHBondContact O-N 2.94Å; S307-M309 VanDerWaalsContact C-N 3.27Å; S307-F310 WeakPolarHBondContact O-CD2 3.46Å; S307-F310 WeakPolarHBondContact O-CE2 3.2Å
308T98.3Very high97.6Very high0 Ų025.4 Ų25.40%016%0.155CC..G310 helixtrans-85.91.1167.971.90000112.8L303 S304 G305 G306 F310 F313 R350L303-T308 HydrophobicContact CB-CG2 4.31Å; S304-T308 WeakPolarHBondContact O-CG2 3.38Å; S304-T308 PolarHBondContact O-OG1 3.1Å; G305-T308 PolarHBondContact O-N 3.32Å; G305-T308 PolarHBondContact O-OG1 3.22Å; G306-T308 VanDerWaalsContact C-N 3.25Å; G306-T308 PolarHBondContact O-N 2.89Å; T308-F310 VanDerWaalsContact C-N 3.34Å; T308-F313 HydrophobicContact CG2-CE1 4.01Å; T308-F313 HydrophobicContact CG2-CE2 4.45Å; T308-F313 HydrophobicContact CG2-CZ 3.84Å; T308-R350 PolarHBondContact O-NE 2.85Å; T308-R350 PolarHBondContact O-NH2 3Å; T308-R350 WeakPolarHBondContact OG1-CD 3.33Å; T308-R350 PolarHBondContact OG1-NE 3.45Å
309M97.9Very high97.6Very high70 Ų7028 Ų2835%0.34516%0.164SC..G310 helixtrans-81.2-10.3-178.3-64.6-63.8-65.200113.8G306 S307 R350 K351G306-M309 WeakPolarHBondContact O-CB 3.26Å; G306-M309 VanDerWaalsContact O-CG 3.3Å; G306-M309 WeakPolarHBondContact O-CG 3.42Å; G306-M309 PolarHBondContact O-N 2.91Å; S307-M309 VanDerWaalsContact C-N 3.27Å; M309-R350 HydrophobicContact SD-CG 3.38Å; M309-R350 WeakPolarHBondContact SD-CG 3.34Å; M309-R350 VanDerWaalsContact SD-CZ 3.58Å; M309-K351 HydrophobicContact CG-CB 4.05Å; M309-K351 HydrophobicContact SD-CB 4.03Å
310F98.2Very high97.7Very high12 Ų1225.3 Ų25.35%0.05315%0.153CC..SBendtrans-56.8132.1178.1-67.4-65.2000111.3I189 K217 C221 V223 P262 S307 T308 G312 F313I189-F310 HydrophobicContact CD1-CE2 3.67Å; I189-F310 HydrophobicContact CD1-CZ 4.08Å; I189-F310 HydrophobicContact CG2-CZ 4.15Å; K217-F310 HydrophobicContact CD-CE1 4.46Å; K217-F310 HydrophobicContact CD-CZ 3.98Å; K217-F310 HydrophobicContact CG-CE1 3.87Å; K217-F310 HydrophobicContact CG-CZ 3.89Å; C221-F310 HydrophobicContact CB-CD1 4.03Å; C221-F310 HydrophobicContact CB-CE1 3.71Å; V223-F310 HydrophobicContact CG2-CB 3.76Å; V223-F310 HydrophobicContact CG2-CD2 4.4Å; V223-F310 HydrophobicContact CG2-CG 4.31Å; P262-F310 HydrophobicContact CB-CD2 4.09Å; P262-F310 HydrophobicContact CB-CE2 4.15Å; P262-F310 HydrophobicContact CB-CG 4.32Å; P262-F310 HydrophobicContact CB-CZ 4.39Å; P262-F310 HydrophobicContact CG-CD1 3.97Å; P262-F310 HydrophobicContact CG-CD2 4.34Å; P262-F310 HydrophobicContact CG-CE1 3.87Å; P262-F310 HydrophobicContact CG-CE2 4.27Å; P262-F310 HydrophobicContact CG-CG 4.22Å; P262-F310 HydrophobicContact CG-CZ 4.03Å; S307-F310 WeakPolarHBondContact O-CD2 3.46Å; S307-F310 WeakPolarHBondContact O-CE2 3.2Å; T308-F310 VanDerWaalsContact C-N 3.34Å; F310-G312 PolarHBondContact O-N 2.83Å; F310-F313 HydrophobicContact CB-CB 4.37Å; F310-F313 VanDerWaalsContact O-CB 3.23Å; F310-F313 WeakPolarHBondContact O-CB 3.38Å; F310-F313 PolarHBondContact O-N 2.8Å
311P98.2Very high97.7Very high88 Ų8823.8 Ų23.857%0.57115%0.145SC*.THydrogen-bonded Turntrans-54138.5169.9-24.534000110.5V223 F313V223-P311 PolarHBondContact N-O 2.86Å; P311-F313 VanDerWaalsContact C-N 3.28Å; P311-F313 PolarHBondContact O-N 2.66Å
312G97.8Very high97.7Very high28 Ų2826.9 Ų26.929%0.28916%0.159SC..THydrogen-bonded Turntrans84.2-13.3-178.600000115.6F310 S315 R316F310-G312 PolarHBondContact O-N 2.83Å; G312-S315 PolarHBondContact O-N 2.91Å; G312-R316 PolarHBondContact O-N 2.83Å
313F98.5Very high97.6Very high0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-54.8-50.8-177.5-173.4-71.2000113.6V223 L265 F266 L278 L303 T308 F310 P311 S315 R316 L317V223-F313 HydrophobicContact CB-CB 4.43Å; V223-F313 HydrophobicContact CG2-CB 4.13Å; V223-F313 HydrophobicContact CG2-CD2 3.98Å; V223-F313 HydrophobicContact CG2-CG 4.5Å; L265-F313 HydrophobicContact CD1-CE2 3.83Å; F266-F313 HydrophobicContact CZ-CD2 4.42Å; F266-F313 HydrophobicContact CZ-CE2 4.4Å; L278-F313 HydrophobicContact CD2-CE1 4.12Å; L278-F313 HydrophobicContact CD2-CE2 4.04Å; L278-F313 HydrophobicContact CD2-CZ 3.33Å; L303-F313 HydrophobicContact CD1-CD1 3.65Å; L303-F313 HydrophobicContact CD1-CE1 3.81Å; L303-F313 HydrophobicContact CD2-CE1 4.11Å; T308-F313 HydrophobicContact CG2-CE1 4.01Å; T308-F313 HydrophobicContact CG2-CE2 4.45Å; T308-F313 HydrophobicContact CG2-CZ 3.84Å; F310-F313 HydrophobicContact CB-CB 4.37Å; F310-F313 VanDerWaalsContact O-CB 3.23Å; F310-F313 WeakPolarHBondContact O-CB 3.38Å; F310-F313 PolarHBondContact O-N 2.8Å; P311-F313 VanDerWaalsContact C-N 3.28Å; P311-F313 PolarHBondContact O-N 2.66Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 2.93Å; F313-R316 PolarHBondContact O-N 3.12Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 2.99Å; F313-L317 VanDerWaalsContact O-N 3.11Å
314P98.1Very high97.6Very high29 Ų2932.3 Ų32.319%0.18818%0.184CC..Hα-helixtrans-64.1-39.4-179.8-19.233000112.2L303 L317 E318 I344 A346L303-P314 HydrophobicContact CD1-CB 4.17Å; L303-P314 HydrophobicContact CD1-CG 3.95Å; P314-L317 PolarHBondContact O-N 3.27Å; P314-E318 WeakPolarHBondContact O-CB 3.32Å; P314-E318 PolarHBondContact O-N 3.24Å; P314-I344 HydrophobicContact CB-CG2 4.43Å; P314-A346 HydrophobicContact CB-CB 4.06Å; P314-A346 HydrophobicContact CG-CB 3.49Å; P314-A346 VanDerWaalsContact CG-CB 3.49Å
315S97.9Very high97.7Very high60 Ų6033.7 Ų33.742%0.4219%0.19SC..Hα-helixtrans-66.6-42.5-178.5-50.50000112.3Y225 G312 F313 E318 R319Y225-S315 WeakPolarHBondContact CE2-O 3.39Å; G312-S315 PolarHBondContact O-N 2.91Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 2.93Å; S315-E318 PolarHBondContact O-N 3.36Å; S315-R319 WeakPolarHBondContact O-CB 3.4Å; S315-R319 PolarHBondContact O-N 3.49Å
316R98.1Very high97.8Very high9 Ų936.5 Ų36.53%0.03420%0.2CC..Hα-helixtrans-62.7-47.9175173.560.1175.5-69.9-8.4111V223 A224 E263 F266 G312 F313 E318 R319 E320V223-R316 HydrophobicContact CG1-CB 3.51Å; V223-R316 HydrophobicContact CG1-CG 3.61Å; A224-R316 WeakPolarHBondContact O-CD 3.36Å; A224-R316 PolarHBondContact O-NH1 3.36Å; E263-R316 IonicContact OE1-CZ 3.75Å; E263-R316 IonicContact OE1-NH1 3.38Å; E263-R316 IonicContact OE1-NH2 3.88Å; E263-R316 PolarHBondContact OE1-NH2 3.25Å; E263-R316 IonicContact OE2-CZ 2.89Å; E263-R316 IonicContact OE2-NH1 3.63Å; E263-R316 PolarHBondContact OE2-NH1 3.19Å; E263-R316 IonicContact OE2-NH2 3.1Å; E263-R316 PolarHBondContact OE2-NH2 2.85Å; F266-R316 HydrophobicContact CD1-CG 4.21Å; F266-R316 HydrophobicContact CE1-CG 3.79Å; F266-R316 HydrophobicContact CE2-CG 4.22Å; F266-R316 HydrophobicContact CZ-CB 4.39Å; F266-R316 HydrophobicContact CZ-CG 3.8Å; G312-R316 PolarHBondContact O-N 2.83Å; F313-R316 PolarHBondContact O-N 3.12Å; R316-E318 VanDerWaalsContact C-N 3.34Å; R316-E318 PolarHBondContact O-N 3.43Å; R316-R319 PolarHBondContact O-N 2.83Å; R316-E320 IonicContact CZ-OE1 2.7Å; R316-E320 VanDerWaalsContact NE-CD 3.27Å; R316-E320 IonicContact NE-OE1 2.78Å; R316-E320 PolarHBondContact NE-OE1 3.1Å; R316-E320 IonicContact NH2-OE1 3.14Å; R316-E320 PolarHBondContact NH2-OE1 2.88Å; R316-E320 PolarHBondContact O-N 3.06Å
317L98.2Very high97.8Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-61.2-42.3178.8-171.462000111.6F266 S279 L282 L303 F313 P314 L321 I344F266-L317 HydrophobicContact CE1-CD1 4.4Å; S279-L317 VanDerWaalsContact OG-CD1 3.27Å; S279-L317 WeakPolarHBondContact OG-CD1 3.28Å; L282-L317 HydrophobicContact CD2-CD1 4.01Å; L282-L317 HydrophobicContact CD2-CD2 3.99Å; L282-L317 HydrophobicContact CD2-CG 4.23Å; L303-L317 HydrophobicContact CD2-CD2 3.81Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 WeakPolarHBondContact O-CB 3.33Å; F313-L317 PolarHBondContact O-N 2.99Å; F313-L317 VanDerWaalsContact O-N 3.11Å; P314-L317 PolarHBondContact O-N 3.27Å; L317-L321 HydrophobicContact CD1-CD1 4.41Å; L317-L321 HydrophobicContact CD1-CG 4.46Å; L317-L321 HydrophobicContact CG-CD1 4.14Å; L317-L321 WeakPolarHBondContact O-CB 3.31Å; L317-L321 VanDerWaalsContact O-CG 3.24Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 2.87Å; L317-I344 HydrophobicContact CB-CD1 3.93Å; L317-I344 HydrophobicContact CD2-CD1 3.98Å; L317-I344 HydrophobicContact CG-CD1 3.79Å
318E97.9Very high97.8Very high63 Ų6345.9 Ų45.929%0.29423%0.23SC..Hα-helixtrans-63.1-43.9176.4-168.1-176.7160.400112P314 S315 R316 K322 I342 I344P314-E318 WeakPolarHBondContact O-CB 3.32Å; P314-E318 PolarHBondContact O-N 3.24Å; S315-E318 PolarHBondContact O-N 3.36Å; R316-E318 VanDerWaalsContact C-N 3.34Å; R316-E318 PolarHBondContact O-N 3.43Å; E318-K322 HydrophobicContact CG-CD 4.42Å; E318-K322 WeakPolarHBondContact O-CB 3.4Å; E318-K322 WeakPolarHBondContact O-CG 3.46Å; E318-K322 PolarHBondContact O-N 3.14Å; E318-K322 WeakPolarHBondContact OE1-CE 3.5Å; E318-K322 IonicContact OE1-NZ 3.28Å; E318-K322 PolarHBondContact OE1-NZ 2.82Å; E318-I342 HydrophobicContact CG-CD1 4.44Å; E318-I342 HydrophobicContact CG-CG2 3.85Å; E318-I344 HydrophobicContact CB-CD1 3.81Å; E318-I344 HydrophobicContact CG-CD1 4.49Å
319R97.4Very high97.7Very high54 Ų5448.4 Ų48.420%0.20425%0.245CC..Hα-helixtrans-59.1-53.2176.6170.1-177.3162.4157.11.1111.2Y225 D226 S315 R316 L321 K322 Q323Y225-R319 HydrophobicContact CD2-CB 4.44Å; Y225-R319 HydrophobicContact CE2-CB 3.66Å; Y225-R319 HydrophobicContact CE2-CG 4.23Å; Y225-R319 VanDerWaalsContact CZ-CD 3.48Å; Y225-R319 WeakPolarHBondContact O-CD 3.47Å; Y225-R319 PolarHBondContact O-NE 3.22Å; Y225-R319 PolarHBondContact O-NH1 2.63Å; D226-R319 IonicContact OD2-CZ 2.88Å; D226-R319 VanDerWaalsContact OD2-CZ 3.28Å; D226-R319 IonicContact OD2-NH1 3.15Å; D226-R319 PolarHBondContact OD2-NH1 2.88Å; D226-R319 IonicContact OD2-NH2 3.33Å; D226-R319 PolarHBondContact OD2-NH2 3.15Å; S315-R319 WeakPolarHBondContact O-CB 3.4Å; S315-R319 PolarHBondContact O-N 3.49Å; R316-R319 PolarHBondContact O-N 2.83Å; R319-L321 PolarHBondContact O-N 3.45Å; R319-K322 PolarHBondContact O-N 2.8Å; R319-Q323 WeakPolarHBondContact O-CG 3.48Å; R319-Q323 PolarHBondContact O-N 2.73Å
320E97.8Very high97.6Very high39 Ų3946.5 Ų46.518%0.18224%0.236CC..Hα-helixtrans-65.7-40.5-176.2-73-165.5165.700112.1F266 S279 R316 K322 Q323 L324F266-E320 WeakPolarHBondContact CD1-OE2 3.45Å; S279-E320 WeakPolarHBondContact CB-OE2 3.43Å; S279-E320 PolarHBondContact OG-OE2 2.81Å; R316-E320 IonicContact CZ-OE1 2.7Å; R316-E320 VanDerWaalsContact NE-CD 3.27Å; R316-E320 IonicContact NE-OE1 2.78Å; R316-E320 PolarHBondContact NE-OE1 3.1Å; R316-E320 IonicContact NH2-OE1 3.14Å; R316-E320 PolarHBondContact NH2-OE1 2.88Å; R316-E320 PolarHBondContact O-N 3.06Å; E320-K322 VanDerWaalsContact C-N 3.33Å; E320-K322 PolarHBondContact O-N 3.11Å; E320-Q323 PolarHBondContact O-N 2.9Å; E320-L324 WeakPolarHBondContact O-CB 3.15Å; E320-L324 VanDerWaalsContact O-CG 3.3Å; E320-L324 WeakPolarHBondContact O-CG 3.23Å; E320-L324 PolarHBondContact O-N 2.82Å
321L98Very high97.5Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-62.3-40.5175.1-72.9174.6000112.3S279 L282 F283 I301 L317 R319 Y325 I342 I344S279-L321 WeakPolarHBondContact O-CD2 3.17Å; L282-L321 HydrophobicContact CB-CD2 4.22Å; L282-L321 HydrophobicContact CD2-CD1 3.73Å; L282-L321 HydrophobicContact CD2-CD2 4.28Å; L282-L321 HydrophobicContact CD2-CG 4.48Å; L282-L321 HydrophobicContact CG-CD1 4.28Å; L282-L321 HydrophobicContact CG-CD2 4.08Å; F283-L321 HydrophobicContact CB-CD2 3.92Å; I301-L321 HydrophobicContact CD1-CD1 3.69Å; L317-L321 HydrophobicContact CD1-CD1 4.41Å; L317-L321 HydrophobicContact CD1-CG 4.46Å; L317-L321 HydrophobicContact CG-CD1 4.14Å; L317-L321 WeakPolarHBondContact O-CB 3.31Å; L317-L321 VanDerWaalsContact O-CG 3.24Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 2.87Å; R319-L321 PolarHBondContact O-N 3.45Å; L321-Y325 VanDerWaalsContact O-CB 3.3Å; L321-Y325 WeakPolarHBondContact O-CB 3.34Å; L321-Y325 PolarHBondContact O-N 2.66Å; L321-I342 HydrophobicContact CB-CD1 3.6Å; L321-I342 HydrophobicContact CD1-CD1 3.54Å; L321-I342 HydrophobicContact CG-CD1 4.26Å; L321-I344 HydrophobicContact CD1-CD1 4.16Å
322K97.3Very high97.4Very high66 Ų6652.2 Ų52.229%0.28726%0.262SS..Hα-helixtrans-62.6-43.5174-79.6-179.8-175170.90111.6E318 R319 E320 Y325 F326 F337 F340 I342E318-K322 HydrophobicContact CG-CD 4.42Å; E318-K322 WeakPolarHBondContact O-CB 3.4Å; E318-K322 WeakPolarHBondContact O-CG 3.46Å; E318-K322 PolarHBondContact O-N 3.14Å; E318-K322 WeakPolarHBondContact OE1-CE 3.5Å; E318-K322 IonicContact OE1-NZ 3.28Å; E318-K322 PolarHBondContact OE1-NZ 2.82Å; R319-K322 PolarHBondContact O-N 2.8Å; E320-K322 VanDerWaalsContact C-N 3.33Å; E320-K322 PolarHBondContact O-N 3.11Å; K322-Y325 PolarHBondContact O-N 3.33Å; K322-F326 VanDerWaalsContact O-CB 3.27Å; K322-F326 WeakPolarHBondContact O-CB 3.17Å; K322-F326 PolarHBondContact O-N 2.81Å; K322-F337 HydrophobicContact CB-CE2 3.93Å; K322-F337 HydrophobicContact CB-CZ 3.94Å; K322-F337 HydrophobicContact CD-CZ 4.24Å; K322-F337 HydrophobicContact CG-CE2 4.27Å; K322-F337 HydrophobicContact CG-CZ 4.28Å; K322-F340 HydrophobicContact CG-CE1 4.35Å; K322-I342 HydrophobicContact CD-CG2 4.24Å; K322-I342 HydrophobicContact CG-CG2 3.98Å
323Q96.9Very high97.3Very high96 Ų9654.8 Ų54.845%0.44927%0.27SS..Hα-helixtrans-63.2-46.4177.4-72.8175.6-25.700111.8R319 E320 Y325 F326 R327R319-Q323 WeakPolarHBondContact O-CG 3.48Å; R319-Q323 PolarHBondContact O-N 2.73Å; E320-Q323 PolarHBondContact O-N 2.9Å; Q323-Y325 PolarHBondContact O-N 2.74Å; Q323-F326 PolarHBondContact O-N 2.86Å; Q323-R327 WeakPolarHBondContact O-CB 3.46Å; Q323-R327 PolarHBondContact O-N 2.93Å
324L97.7Very high97.1Very high18 Ų1860.6 Ų60.69%0.09430%0.297CS..Hα-helixtrans-60.8-44.9176.1-71.3172000111.5E280 F283 E320 R327 N328E280-L324 HydrophobicContact CB-CD1 4.37Å; F283-L324 HydrophobicContact CB-CB 4.4Å; F283-L324 HydrophobicContact CB-CD1 3.65Å; F283-L324 HydrophobicContact CD1-CB 4.37Å; F283-L324 HydrophobicContact CD2-CB 3.66Å; F283-L324 HydrophobicContact CD2-CD1 4.48Å; F283-L324 HydrophobicContact CE2-CB 4.01Å; F283-L324 HydrophobicContact CG-CB 3.88Å; F283-L324 HydrophobicContact CG-CD1 3.98Å; F283-L324 HydrophobicContact CG-CG 4.5Å; F283-L324 HydrophobicContact CZ-CB 4.49Å; E320-L324 WeakPolarHBondContact O-CB 3.15Å; E320-L324 VanDerWaalsContact O-CG 3.3Å; E320-L324 WeakPolarHBondContact O-CG 3.23Å; E320-L324 PolarHBondContact O-N 2.82Å; L324-R327 VanDerWaalsContact CD2-NH2 3.35Å; L324-N328 WeakPolarHBondContact O-CB 3.28Å; L324-N328 PolarHBondContact O-N 2.75Å
325Y97.6Very high97Very high29 Ų2965 Ų6511%0.11432%0.315CS..Hα-helixtrans-65.4-44.3178.1-167.1-91000112.2F283 Y298 L321 K322 Q323 R327 V329 L330 F340F283-Y325 HydrophobicContact CE2-CD2 4.39Å; Y298-Y325 HydrophobicContact CD2-CE2 4.43Å; Y298-Y325 AromaticContact CE2-CD2 3.87Å; Y298-Y325 HydrophobicContact CE2-CD2 3.87Å; Y298-Y325 AromaticContact CE2-CE2 3.82Å; Y298-Y325 HydrophobicContact CE2-CE2 3.82Å; Y298-Y325 AromaticContact CZ-CD2 3.9Å; L321-Y325 VanDerWaalsContact O-CB 3.3Å; L321-Y325 WeakPolarHBondContact O-CB 3.34Å; L321-Y325 PolarHBondContact O-N 2.66Å; K322-Y325 PolarHBondContact O-N 3.33Å; Q323-Y325 PolarHBondContact O-N 2.74Å; Y325-R327 PolarHBondContact O-N 3.39Å; Y325-V329 HydrophobicContact CD1-CB 4.39Å; Y325-V329 HydrophobicContact CD2-CB 3.96Å; Y325-V329 HydrophobicContact CD2-CG1 4.34Å; Y325-V329 HydrophobicContact CD2-CG2 3.69Å; Y325-V329 HydrophobicContact CE1-CB 4.36Å; Y325-V329 HydrophobicContact CE1-CG1 4.3Å; Y325-V329 HydrophobicContact CE2-CB 3.93Å; Y325-V329 HydrophobicContact CE2-CG1 3.78Å; Y325-V329 HydrophobicContact CE2-CG2 3.89Å; Y325-V329 HydrophobicContact CG-CB 4.19Å; Y325-V329 HydrophobicContact CG-CG2 4.24Å; Y325-V329 WeakPolarHBondContact O-CA 3.23Å; Y325-V329 WeakPolarHBondContact O-CB 3.36Å; Y325-V329 PolarHBondContact O-N 3.01Å; Y325-L330 HydrophobicContact CD1-CD1 3.75Å; Y325-L330 HydrophobicContact CD1-CD2 4.38Å; Y325-L330 HydrophobicContact CD1-CG 3.69Å; Y325-L330 HydrophobicContact CE1-CD1 3.7Å; Y325-L330 HydrophobicContact CE1-CD2 3.66Å; Y325-L330 HydrophobicContact CE1-CG 3.48Å; Y325-L330 VanDerWaalsContact CE1-CG 3.48Å; Y325-L330 PolarHBondContact O-N 3.07Å; Y325-F340 HydrophobicContact CD1-CB 4.39Å; Y325-F340 AromaticContact CD1-CD1 3.78Å; Y325-F340 HydrophobicContact CD1-CD1 3.78Å; Y325-F340 AromaticContact CD1-CD2 3.84Å; Y325-F340 HydrophobicContact CD1-CD2 3.84Å; Y325-F340 AromaticContact CD1-CE1 3.93Å; Y325-F340 HydrophobicContact CD1-CE1 3.93Å; Y325-F340 AromaticContact CD1-CE2 4Å; Y325-F340 HydrophobicContact CD1-CE2 4Å; Y325-F340 AromaticContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CZ 4.04Å; Y325-F340 HydrophobicContact CD2-CD2 4.44Å; Y325-F340 HydrophobicContact CD2-CE1 4.38Å; Y325-F340 AromaticContact CD2-CE2 3.84Å; Y325-F340 HydrophobicContact CD2-CE2 3.84Å; Y325-F340 AromaticContact CD2-CZ 3.8Å; Y325-F340 HydrophobicContact CD2-CZ 3.8Å; Y325-F340 HydrophobicContact CE1-CB 4.15Å; Y325-F340 HydrophobicContact CE1-CD1 4.23Å; Y325-F340 AromaticContact CE1-CD2 3.48Å; Y325-F340 HydrophobicContact CE1-CD2 3.48Å; Y325-F340 VanDerWaalsContact CE1-CD2 3.48Å; Y325-F340 AromaticContact CE1-CE2 3.88Å; Y325-F340 HydrophobicContact CE1-CE2 3.88Å; Y325-F340 AromaticContact CE1-CG 3.69Å; Y325-F340 HydrophobicContact CE1-CG 3.69Å; Y325-F340 HydrophobicContact CE1-CZ 4.39Å; Y325-F340 HydrophobicContact CE2-CD2 4.14Å; Y325-F340 AromaticContact CE2-CE2 3.72Å; Y325-F340 HydrophobicContact CE2-CE2 3.72Å; Y325-F340 HydrophobicContact CE2-CZ 4.18Å; Y325-F340 HydrophobicContact CG-CD1 4.18Å; Y325-F340 HydrophobicContact CG-CD2 4.3Å; Y325-F340 AromaticContact CG-CE1 3.84Å; Y325-F340 HydrophobicContact CG-CE1 3.84Å; Y325-F340 AromaticContact CG-CE2 3.98Å; Y325-F340 HydrophobicContact CG-CE2 3.98Å; Y325-F340 HydrophobicContact CG-CG 4.4Å; Y325-F340 AromaticContact CG-CZ 3.73Å; Y325-F340 HydrophobicContact CG-CZ 3.73Å; Y325-F340 AromaticContact CZ-CD2 3.67Å; Y325-F340 AromaticContact CZ-CE2 3.75Å
326F97.7Very high96.8Very high66 Ų6663.7 Ų63.729%0.28931%0.307SS..Hα-helixtrans-59.9-46.3177.4-178.8-114000112.1K322 Q323 L330 K331 G332 E334 F337K322-F326 VanDerWaalsContact O-CB 3.27Å; K322-F326 WeakPolarHBondContact O-CB 3.17Å; K322-F326 PolarHBondContact O-N 2.81Å; Q323-F326 PolarHBondContact O-N 2.86Å; F326-L330 CarbonylContact O-C 3.57Å; F326-K331 PolarHBondContact O-N 3.03Å; F326-K331 VanDerWaalsContact O-N 3.09Å; F326-G332 WeakPolarHBondContact CE2-O 3.42Å; F326-G332 VanDerWaalsContact CZ-CA 3.47Å; F326-G332 WeakPolarHBondContact CZ-O 3.19Å; F326-G332 PolarHBondContact O-N 2.63Å; F326-E334 HydrophobicContact CE2-CG 4.36Å; F326-E334 HydrophobicContact CZ-CG 4.38Å; F326-F337 HydrophobicContact CB-CD2 3.93Å; F326-F337 HydrophobicContact CB-CE2 3.98Å; F326-F337 HydrophobicContact CD2-CB 3.86Å; F326-F337 HydrophobicContact CD2-CD1 4.48Å; F326-F337 AromaticContact CD2-CD2 3.88Å; F326-F337 HydrophobicContact CD2-CD2 3.88Å; F326-F337 AromaticContact CD2-CG 3.82Å; F326-F337 HydrophobicContact CD2-CG 3.82Å; F326-F337 HydrophobicContact CE2-CB 4.21Å; F326-F337 HydrophobicContact CE2-CG 4.42Å; F326-F337 HydrophobicContact CG-CD2 4.28Å
327R97.1Very high96.7Very high160 Ų16066.5 Ų66.560%0.60432%0.32SS*.Hα-helixtrans-71.5-51.9-179.4-174.1179.366.4-173.3-1.7112.3Q323 L324 Y325Q323-R327 WeakPolarHBondContact O-CB 3.46Å; Q323-R327 PolarHBondContact O-N 2.93Å; L324-R327 VanDerWaalsContact CD2-NH2 3.35Å; Y325-R327 PolarHBondContact O-N 3.39Å
328N96.7Very high96.5Very high76 Ų7676.1 Ų76.141%0.40636%0.356SS..Hα-helixtrans-93.1-30.4-165-61.4-1.4000113.3F283 L324F283-N328 HydrophobicContact CE1-CB 4.18Å; F283-N328 HydrophobicContact CZ-CB 3.84Å; L324-N328 WeakPolarHBondContact O-CB 3.28Å; L324-N328 PolarHBondContact O-N 2.75Å
329V96Very high96.3Very high54 Ų5479.9 Ų79.933%0.32737%0.372SS..THydrogen-bonded Turntrans-101.1-51.9-177.6-174.70000110.9F283 Y325F283-V329 HydrophobicContact CE2-CG2 3.94Å; F283-V329 HydrophobicContact CZ-CG2 3.76Å; Y325-V329 HydrophobicContact CD1-CB 4.39Å; Y325-V329 HydrophobicContact CD2-CB 3.96Å; Y325-V329 HydrophobicContact CD2-CG1 4.34Å; Y325-V329 HydrophobicContact CD2-CG2 3.69Å; Y325-V329 HydrophobicContact CE1-CB 4.36Å; Y325-V329 HydrophobicContact CE1-CG1 4.3Å; Y325-V329 HydrophobicContact CE2-CB 3.93Å; Y325-V329 HydrophobicContact CE2-CG1 3.78Å; Y325-V329 HydrophobicContact CE2-CG2 3.89Å; Y325-V329 HydrophobicContact CG-CB 4.19Å; Y325-V329 HydrophobicContact CG-CG2 4.24Å; Y325-V329 WeakPolarHBondContact O-CA 3.23Å; Y325-V329 WeakPolarHBondContact O-CB 3.36Å; Y325-V329 PolarHBondContact O-N 3.01Å
330L96.2Very high96.1Very high30 Ų3078.4 Ų78.416%0.15737%0.367CS..SBendtrans-84.2-12.1-176.4-60.8-176.8000113.7Y325 F326 G332 N333 A336 F337Y325-L330 HydrophobicContact CD1-CD1 3.75Å; Y325-L330 HydrophobicContact CD1-CD2 4.38Å; Y325-L330 HydrophobicContact CD1-CG 3.69Å; Y325-L330 HydrophobicContact CE1-CD1 3.7Å; Y325-L330 HydrophobicContact CE1-CD2 3.66Å; Y325-L330 HydrophobicContact CE1-CG 3.48Å; Y325-L330 VanDerWaalsContact CE1-CG 3.48Å; Y325-L330 PolarHBondContact O-N 3.07Å; F326-L330 CarbonylContact O-C 3.57Å; L330-G332 PolarHBondContact O-N 3.36Å; L330-N333 HydrophobicContact CB-CB 4.34Å; L330-N333 VanDerWaalsContact O-CB 3.26Å; L330-N333 WeakPolarHBondContact O-CB 3.17Å; L330-N333 PolarHBondContact O-N 3.46Å; L330-A336 HydrophobicContact CD1-CB 4.12Å; L330-A336 HydrophobicContact CD2-CB 3.7Å; L330-A336 HydrophobicContact CG-CB 4.45Å; L330-F337 VanDerWaalsContact CD1-CA 3.44Å; L330-F337 HydrophobicContact CD1-CB 3.7Å; L330-F337 HydrophobicContact CD1-CD2 4.04Å; L330-F337 HydrophobicContact CD1-CG 4.39Å
331K96.3Very high96Very high182 Ų18283.6 Ų83.679%0.79139%0.389SS*.THydrogen-bonded Turntrans49.840.8-179.5-56.7-177.8179.9-179.10112.5F326F326-K331 PolarHBondContact O-N 3.03Å; F326-K331 VanDerWaalsContact O-N 3.09Å
332G95.4Very high95.9Very high37 Ų3784.6 Ų84.638%0.38139%0.394SS..THydrogen-bonded Turntrans86.14.8179.800000116.1F326 L330 E334F326-G332 WeakPolarHBondContact CE2-O 3.42Å; F326-G332 VanDerWaalsContact CZ-CA 3.47Å; F326-G332 WeakPolarHBondContact CZ-O 3.19Å; F326-G332 PolarHBondContact O-N 2.63Å; L330-G332 PolarHBondContact O-N 3.36Å; G332-E334 PolarHBondContact O-N 3.06Å
333N96.1Very high95.9Very high82 Ų8288.3 Ų88.344%0.43941%0.406SS..  trans-70.6101.2178.9-174.6-31.6000112.1L330 E335 A336 F337L330-N333 HydrophobicContact CB-CB 4.34Å; L330-N333 VanDerWaalsContact O-CB 3.26Å; L330-N333 WeakPolarHBondContact O-CB 3.17Å; L330-N333 PolarHBondContact O-N 3.46Å; N333-E335 PolarHBondContact O-N 3.49Å; N333-E335 PolarHBondContact OD1-N 3.37Å; N333-A336 HydrophobicContact CB-CB 4.2Å; N333-A336 PolarHBondContact OD1-N 2.74Å; N333-F337 WeakPolarHBondContact O-CB 3.5Å; N333-F337 PolarHBondContact O-N 3.23Å; N333-F337 VanDerWaalsContact O-N 3.09Å
334E95.4Very high95.9Very high123 Ų12384.8 Ų84.858%0.57539%0.39SS*.Hα-helixtrans-64.2-35.9-179.7-65.8-169.2179.800114F326 G332 F337 R338F326-E334 HydrophobicContact CE2-CG 4.36Å; F326-E334 HydrophobicContact CZ-CG 4.38Å; G332-E334 PolarHBondContact O-N 3.06Å; E334-F337 WeakPolarHBondContact O-CB 3.47Å; E334-F337 PolarHBondContact O-N 3.38Å; E334-R338 WeakPolarHBondContact O-CG 3.1Å; E334-R338 PolarHBondContact O-N 2.89Å; E334-R338 VanDerWaalsContact O-N 3.09Å; E334-R338 IonicContact OE2-NH2 3.8Å
335E95Very high95.9Very high122 Ų12285 Ų8557%0.5739%0.391SS*.Hα-helixtrans-67.6-43.2-177.6-162.3-155.9141.300110.9N333 F337 R338 K339N333-E335 PolarHBondContact O-N 3.49Å; N333-E335 PolarHBondContact OD1-N 3.37Å; E335-F337 VanDerWaalsContact C-N 3.3Å; E335-R338 PolarHBondContact O-N 2.97Å; E335-K339 IonicContact OE1-NZ 2.75Å; E335-K339 PolarHBondContact OE1-NZ 3.47Å
336A94.1Very high95.8Very high31 Ų3185.1 Ų85.126%0.25640%0.398SS..Hα-helixtrans-66.1-34.8173.900000111.5L330 N333 R338 K339 F340L330-A336 HydrophobicContact CD1-CB 4.12Å; L330-A336 HydrophobicContact CD2-CB 3.7Å; L330-A336 HydrophobicContact CG-CB 4.45Å; N333-A336 HydrophobicContact CB-CB 4.2Å; N333-A336 PolarHBondContact OD1-N 2.74Å; A336-R338 PolarHBondContact O-N 3.34Å; A336-K339 PolarHBondContact O-N 3.23Å; A336-K339 VanDerWaalsContact O-N 3.1Å; A336-F340 PolarHBondContact O-N 3.02Å; A336-F340 VanDerWaalsContact O-N 3.15Å
337F95.6Very high95.7Very high69 Ų6982.8 Ų82.830%0.30339%0.389SS..Hα-helixtrans-64.2-39.6178.9-175-111.7000112.3K322 F326 L330 N333 E334 E335 K339 F340K322-F337 HydrophobicContact CB-CE2 3.93Å; K322-F337 HydrophobicContact CB-CZ 3.94Å; K322-F337 HydrophobicContact CD-CZ 4.24Å; K322-F337 HydrophobicContact CG-CE2 4.27Å; K322-F337 HydrophobicContact CG-CZ 4.28Å; F326-F337 HydrophobicContact CB-CD2 3.93Å; F326-F337 HydrophobicContact CB-CE2 3.98Å; F326-F337 HydrophobicContact CD2-CB 3.86Å; F326-F337 HydrophobicContact CD2-CD1 4.48Å; F326-F337 AromaticContact CD2-CD2 3.88Å; F326-F337 HydrophobicContact CD2-CD2 3.88Å; F326-F337 AromaticContact CD2-CG 3.82Å; F326-F337 HydrophobicContact CD2-CG 3.82Å; F326-F337 HydrophobicContact CE2-CB 4.21Å; F326-F337 HydrophobicContact CE2-CG 4.42Å; F326-F337 HydrophobicContact CG-CD2 4.28Å; L330-F337 VanDerWaalsContact CD1-CA 3.44Å; L330-F337 HydrophobicContact CD1-CB 3.7Å; L330-F337 HydrophobicContact CD1-CD2 4.04Å; L330-F337 HydrophobicContact CD1-CG 4.39Å; N333-F337 WeakPolarHBondContact O-CB 3.5Å; N333-F337 PolarHBondContact O-N 3.23Å; N333-F337 VanDerWaalsContact O-N 3.09Å; E334-F337 WeakPolarHBondContact O-CB 3.47Å; E334-F337 PolarHBondContact O-N 3.38Å; E335-F337 VanDerWaalsContact C-N 3.3Å; F337-K339 PolarHBondContact O-N 3.04Å; F337-F340 WeakPolarHBondContact O-CB 3.38Å; F337-F340 PolarHBondContact O-N 3.45Å
338R93.9Very high95.5Very high201 Ų20180.7 Ų80.776%0.75840%0.396SS*.Hα-helixtrans-61-26.1174.2-67.6176.2-165.1168.97.2113.1E334 E335 A336E334-R338 WeakPolarHBondContact O-CG 3.1Å; E334-R338 PolarHBondContact O-N 2.89Å; E334-R338 VanDerWaalsContact O-N 3.09Å; E334-R338 IonicContact OE2-NH2 3.8Å; E335-R338 PolarHBondContact O-N 2.97Å; A336-R338 PolarHBondContact O-N 3.34Å
339K93.2Very high95.2Very high143 Ų14379.3 Ų79.362%0.62239%0.392SS*.Hα-helixtrans-88.3-15.3177.7-61.2174.3-168.9166.30112.6E335 A336 F337 K341E335-K339 IonicContact OE1-NZ 2.75Å; E335-K339 PolarHBondContact OE1-NZ 3.47Å; A336-K339 PolarHBondContact O-N 3.23Å; A336-K339 VanDerWaalsContact O-N 3.1Å; F337-K339 PolarHBondContact O-N 3.04Å; K339-K341 PolarHBondContact O-N 3.23Å
340F94.2Very high95.2Very high23 Ų2378 Ų7810%0.10138%0.382CS..  trans-70.9120.9-179.7178.2-121.7000110.8Y298 K322 Y325 A336 F337 I342Y298-F340 HydrophobicContact CD1-CE2 4.41Å; Y298-F340 AromaticContact CD1-CZ 3.88Å; Y298-F340 HydrophobicContact CD1-CZ 3.88Å; Y298-F340 AromaticContact CD2-CE2 3.86Å; Y298-F340 HydrophobicContact CD2-CE2 3.86Å; Y298-F340 HydrophobicContact CD2-CZ 4.12Å; Y298-F340 HydrophobicContact CE1-CZ 4.24Å; Y298-F340 HydrophobicContact CE2-CE2 4.36Å; Y298-F340 HydrophobicContact CE2-CZ 4.45Å; Y298-F340 AromaticContact CG-CE2 3.9Å; Y298-F340 HydrophobicContact CG-CE2 3.9Å; Y298-F340 AromaticContact CG-CZ 3.82Å; Y298-F340 HydrophobicContact CG-CZ 3.82Å; K322-F340 HydrophobicContact CG-CE1 4.35Å; Y325-F340 HydrophobicContact CD1-CB 4.39Å; Y325-F340 AromaticContact CD1-CD1 3.78Å; Y325-F340 HydrophobicContact CD1-CD1 3.78Å; Y325-F340 AromaticContact CD1-CD2 3.84Å; Y325-F340 HydrophobicContact CD1-CD2 3.84Å; Y325-F340 AromaticContact CD1-CE1 3.93Å; Y325-F340 HydrophobicContact CD1-CE1 3.93Å; Y325-F340 AromaticContact CD1-CE2 4Å; Y325-F340 HydrophobicContact CD1-CE2 4Å; Y325-F340 AromaticContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CZ 4.04Å; Y325-F340 HydrophobicContact CD2-CD2 4.44Å; Y325-F340 HydrophobicContact CD2-CE1 4.38Å; Y325-F340 AromaticContact CD2-CE2 3.84Å; Y325-F340 HydrophobicContact CD2-CE2 3.84Å; Y325-F340 AromaticContact CD2-CZ 3.8Å; Y325-F340 HydrophobicContact CD2-CZ 3.8Å; Y325-F340 HydrophobicContact CE1-CB 4.15Å; Y325-F340 HydrophobicContact CE1-CD1 4.23Å; Y325-F340 AromaticContact CE1-CD2 3.48Å; Y325-F340 HydrophobicContact CE1-CD2 3.48Å; Y325-F340 VanDerWaalsContact CE1-CD2 3.48Å; Y325-F340 AromaticContact CE1-CE2 3.88Å; Y325-F340 HydrophobicContact CE1-CE2 3.88Å; Y325-F340 AromaticContact CE1-CG 3.69Å; Y325-F340 HydrophobicContact CE1-CG 3.69Å; Y325-F340 HydrophobicContact CE1-CZ 4.39Å; Y325-F340 HydrophobicContact CE2-CD2 4.14Å; Y325-F340 AromaticContact CE2-CE2 3.72Å; Y325-F340 HydrophobicContact CE2-CE2 3.72Å; Y325-F340 HydrophobicContact CE2-CZ 4.18Å; Y325-F340 HydrophobicContact CG-CD1 4.18Å; Y325-F340 HydrophobicContact CG-CD2 4.3Å; Y325-F340 AromaticContact CG-CE1 3.84Å; Y325-F340 HydrophobicContact CG-CE1 3.84Å; Y325-F340 AromaticContact CG-CE2 3.98Å; Y325-F340 HydrophobicContact CG-CE2 3.98Å; Y325-F340 HydrophobicContact CG-CG 4.4Å; Y325-F340 AromaticContact CG-CZ 3.73Å; Y325-F340 HydrophobicContact CG-CZ 3.73Å; Y325-F340 AromaticContact CZ-CD2 3.67Å; Y325-F340 AromaticContact CZ-CE2 3.75Å; A336-F340 PolarHBondContact O-N 3.02Å; A336-F340 VanDerWaalsContact O-N 3.15Å; F337-F340 WeakPolarHBondContact O-CB 3.38Å; F337-F340 PolarHBondContact O-N 3.45Å; F340-I342 HydrophobicContact CE1-CB 4.12Å; F340-I342 HydrophobicContact CE1-CG2 4.37Å; F340-I342 HydrophobicContact CZ-CB 4.23Å
341K94.9Very high95.1Very high148 Ų14880.8 Ų80.864%0.64339%0.393SS*.  trans-109.1123.6177.8-64.6-172.9179.9-175.20109.5K299 K339K299-K341 HydrophobicContact CG-CB 4.46Å; K339-K341 PolarHBondContact O-N 3.23Å
342I96.7Very high94.9Very high21 Ų2173.6 Ų73.611%0.10836%0.362CS..  trans-121.1143.2170.5-178.4169.9000108.2Y298 I301 E318 L321 K322 F340 I344Y298-I342 HydrophobicContact CD1-CD1 4.46Å; Y298-I342 CarbonylContact O-C 3.5Å; Y298-I342 VanDerWaalsContact O-CA 3.32Å; Y298-I342 WeakPolarHBondContact O-CA 3.44Å; Y298-I342 WeakPolarHBondContact O-CG1 3.35Å; I301-I342 HydrophobicContact CD1-CD1 4.2Å; I301-I342 HydrophobicContact CD1-CG1 4.29Å; E318-I342 HydrophobicContact CG-CD1 4.44Å; E318-I342 HydrophobicContact CG-CG2 3.85Å; L321-I342 HydrophobicContact CB-CD1 3.6Å; L321-I342 HydrophobicContact CD1-CD1 3.54Å; L321-I342 HydrophobicContact CG-CD1 4.26Å; K322-I342 HydrophobicContact CD-CG2 4.24Å; K322-I342 HydrophobicContact CG-CG2 3.98Å; F340-I342 HydrophobicContact CE1-CB 4.12Å; F340-I342 HydrophobicContact CE1-CG2 4.37Å; F340-I342 HydrophobicContact CZ-CB 4.23Å; I342-I344 HydrophobicContact CD1-CD1 4.42Å; I342-I344 HydrophobicContact CD1-CG1 4.42Å; I342-I344 HydrophobicContact CG1-CG1 4.34Å
343R97.2Very high94.8Very high143 Ų14372 Ų7254%0.5434%0.344SS..  trans-140.7123173172.2-175.2-173.9-175-2.4108.9Y298 K299 I301 E345Y298-R343 PolarHBondContact O-N 3.14Å; K299-R343 WeakPolarHBondContact O-CB 3.3Å; I301-R343 PolarHBondContact N-O 3.17Å; R343-E345 HydrophobicContact CG-CG 4.23Å; R343-E345 IonicContact CZ-OE1 2.77Å; R343-E345 IonicContact NE-OE1 2.85Å; R343-E345 PolarHBondContact NE-OE1 3.11Å; R343-E345 VanDerWaalsContact NE-OE1 3.09Å; R343-E345 IonicContact NH1-OE1 2.64Å; R343-E345 IonicContact NH2-OE1 2.85Å; R343-E345 PolarHBondContact NH2-OE1 3.43Å
344I97.6Very high94.7Very high22 Ų2268.4 Ų68.411%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-110.6111.7174.7-56.1-176.8000107.1I301 L303 P314 L317 E318 L321 I342I301-I344 HydrophobicContact CB-CG1 4.19Å; I301-I344 HydrophobicContact CD1-CG1 4.25Å; I301-I344 HydrophobicContact CG2-CG1 4.32Å; I301-I344 HydrophobicContact CG2-CG2 4.32Å; I301-I344 CarbonylContact O-C 3.59Å; I301-I344 WeakPolarHBondContact O-CA 3.5Å; L303-I344 HydrophobicContact CD1-CG2 3.79Å; L303-I344 HydrophobicContact CD2-CG2 3.9Å; L303-I344 HydrophobicContact CG-CG2 3.65Å; P314-I344 HydrophobicContact CB-CG2 4.43Å; L317-I344 HydrophobicContact CB-CD1 3.93Å; L317-I344 HydrophobicContact CD2-CD1 3.98Å; L317-I344 HydrophobicContact CG-CD1 3.79Å; E318-I344 HydrophobicContact CB-CD1 3.81Å; E318-I344 HydrophobicContact CG-CD1 4.49Å; L321-I344 HydrophobicContact CD1-CD1 4.16Å; I342-I344 HydrophobicContact CD1-CD1 4.42Å; I342-I344 HydrophobicContact CD1-CG1 4.42Å; I342-I344 HydrophobicContact CG1-CG1 4.34Å
345E96.3Very high94.8Very high23 Ų2362.5 Ų62.511%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-85.1118.4175.1-59.2-163.8155.300109.4I301 V302 L303 R343 P347I301-E345 PolarHBondContact O-N 2.82Å; V302-E345 HydrophobicContact CG2-CB 4.33Å; L303-E345 PolarHBondContact N-O 3.5Å; R343-E345 HydrophobicContact CG-CG 4.23Å; R343-E345 IonicContact CZ-OE1 2.77Å; R343-E345 IonicContact NE-OE1 2.85Å; R343-E345 PolarHBondContact NE-OE1 3.11Å; R343-E345 VanDerWaalsContact NE-OE1 3.09Å; R343-E345 IonicContact NH1-OE1 2.64Å; R343-E345 IonicContact NH2-OE1 2.85Å; R343-E345 PolarHBondContact NH2-OE1 3.43Å; E345-P347 VanDerWaalsContact C-CD 3.44Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å
346A96.3Very high94.7Very high32 Ų3257.6 Ų57.626%0.26428%0.277SS..  trans-12370.4176.800000111L303 P314 R350L303-A346 HydrophobicContact CD1-CB 3.89Å; L303-A346 HydrophobicContact CG-CB 4.41Å; P314-A346 HydrophobicContact CB-CB 4.06Å; P314-A346 HydrophobicContact CG-CB 3.49Å; P314-A346 VanDerWaalsContact CG-CB 3.49Å; A346-R350 PolarHBondContact O-NH1 3.28Å
347P94.3Very high94.7Very high16 Ų1656.1 Ų56.110%0.10427%0.265CS..  trans-56.7149.7-177.2-25.736.8000112.1Q149 E345 S349 R350 M353Q149-P347 HydrophobicContact CG-CG 4.42Å; E345-P347 VanDerWaalsContact C-CD 3.44Å; E345-P347 WeakPolarHBondContact O-CD 3.48Å; P347-S349 PolarHBondContact O-N 3.22Å; P347-R350 VanDerWaalsContact O-CB 3.24Å; P347-R350 WeakPolarHBondContact O-CB 3.32Å; P347-R350 WeakPolarHBondContact O-CD 3.45Å; P347-R350 WeakPolarHBondContact O-CG 3.41Å; P347-R350 PolarHBondContact O-N 3.09Å; P347-R350 VanDerWaalsContact O-N 3.1Å; P347-R350 PolarHBondContact O-NH1 3.49Å; P347-M353 HydrophobicContact CB-CE 3.43Å; P347-M353 VanDerWaalsContact CB-CE 3.43Å; P347-M353 HydrophobicContact CG-CE 3.32Å; P347-M353 HydrophobicContact CG-SD 4.43Å
348P93.4Very high94.7Very high117 Ų11752.9 Ų52.976%0.7625%0.25SS*.THydrogen-bonded Turntrans-63-28.2-178.324.1-33.6000112.7R350P348-R350 VanDerWaalsContact C-N 3.34Å
349S91.1Very high94.8Very high46 Ų4643.3 Ų43.332%0.32221%0.214SC..THydrogen-bonded Turntrans-88.19.6177.854.80000114.2P347 K351 H352P347-S349 PolarHBondContact O-N 3.22Å; S349-K351 PolarHBondContact O-N 2.78Å; S349-H352 PolarHBondContact O-N 2.88Å
350R95Very high94.8Very high27 Ų2739.7 Ų39.710%0.10220%0.204CC..G310 helixtrans-58.2-22.1-172.968.2-172.2175.7-78.61.6115.9L303 G305 T308 M309 A346 P347 P348 H352 M353L303-R350 WeakPolarHBondContact O-CB 3.25Å; G305-R350 PolarHBondContact N-O 3.01Å; T308-R350 PolarHBondContact O-NE 2.85Å; T308-R350 PolarHBondContact O-NH2 3Å; T308-R350 WeakPolarHBondContact OG1-CD 3.33Å; T308-R350 PolarHBondContact OG1-NE 3.45Å; M309-R350 HydrophobicContact SD-CG 3.38Å; M309-R350 WeakPolarHBondContact SD-CG 3.34Å; M309-R350 VanDerWaalsContact SD-CZ 3.58Å; A346-R350 PolarHBondContact O-NH1 3.28Å; P347-R350 VanDerWaalsContact O-CB 3.24Å; P347-R350 WeakPolarHBondContact O-CB 3.32Å; P347-R350 WeakPolarHBondContact O-CD 3.45Å; P347-R350 WeakPolarHBondContact O-CG 3.41Å; P347-R350 PolarHBondContact O-N 3.09Å; P347-R350 VanDerWaalsContact O-N 3.1Å; P347-R350 PolarHBondContact O-NH1 3.49Å; P348-R350 VanDerWaalsContact C-N 3.34Å; R350-H352 PolarHBondContact O-N 3.41Å; R350-H352 VanDerWaalsContact O-N 3.14Å; R350-M353 HydrophobicContact CB-CE 3.77Å; R350-M353 PolarHBondContact O-N 3.28Å
351K94Very high94.7Very high89 Ų8939.7 Ų39.739%0.38721%0.205SC..G310 helixtrans-54.9-29.1171.4-172177.3177.4174.70113.1M309 S349M309-K351 HydrophobicContact CG-CB 4.05Å; M309-K351 HydrophobicContact SD-CB 4.03Å; S349-K351 PolarHBondContact O-N 2.78Å
352H92.9Very high94.8Very high31 Ų3132.7 Ų32.714%0.14417%0.174CC..G310 helixtrans-124.315.5-173.9-54.5-53.9000113P28 I31 S349 R350 V354 F355 C356P28-H352 HydrophobicContact CG-CB 4.16Å; I31-H352 VanDerWaalsContact CD1-CE1 3.46Å; I31-H352 WeakPolarHBondContact CD1-CE1 3.44Å; S349-H352 PolarHBondContact O-N 2.88Å; R350-H352 PolarHBondContact O-N 3.41Å; R350-H352 VanDerWaalsContact O-N 3.14Å; H352-V354 VanDerWaalsContact C-N 3.28Å; H352-V354 PolarHBondContact O-N 2.68Å; H352-F355 WeakPolarHBondContact O-CB 3.21Å; H352-F355 PolarHBondContact O-N 3.45Å; H352-C356 PolarHBondContact O-N 2.9Å; H352-C356 PolarHBondContact O-SG 3.38Å; H352-C356 VanDerWaalsContact O-SG 3.34Å
353M93.3Very high94.6Very high2 Ų234.6 Ų34.61%0.0118%0.183CC..Hα-helixtrans-59.5-38.9-169.9-159.4160.1-73.600113.5T145 A148 Q149 V302 P347 R350 F355 C356 G357T145-M353 HydrophobicContact CG2-CB 4.34Å; T145-M353 HydrophobicContact CG2-CG 3.91Å; T145-M353 HydrophobicContact CG2-SD 3.55Å; T145-M353 VanDerWaalsContact CG2-SD 3.55Å; A148-M353 HydrophobicContact CB-CG 3.76Å; Q149-M353 HydrophobicContact CG-SD 4.13Å; V302-M353 HydrophobicContact CG1-SD 3.97Å; P347-M353 HydrophobicContact CB-CE 3.43Å; P347-M353 VanDerWaalsContact CB-CE 3.43Å; P347-M353 HydrophobicContact CG-CE 3.32Å; P347-M353 HydrophobicContact CG-SD 4.43Å; R350-M353 HydrophobicContact CB-CE 3.77Å; R350-M353 PolarHBondContact O-N 3.28Å; M353-F355 VanDerWaalsContact C-N 3.34Å; M353-F355 PolarHBondContact O-N 2.92Å; M353-C356 PolarHBondContact O-N 2.91Å; M353-G357 PolarHBondContact O-N 3.47Å
354V95.1Very high94.4Very high7 Ų733.6 Ų33.64%0.04219%0.188CC..Hα-helixtrans-54.3-50.2173.7170.30000111.2D12 T110 Q141 L144 D158 H352 G358D12-V354 HydrophobicContact CB-CG1 4.22Å; D12-V354 WeakPolarHBondContact OD1-CG1 3.38Å; T110-V354 HydrophobicContact CG2-CG1 3.81Å; Q141-V354 HydrophobicContact CB-CG1 4.02Å; Q141-V354 HydrophobicContact CB-CG2 3.91Å; Q141-V354 HydrophobicContact CG-CG1 3.68Å; Q141-V354 HydrophobicContact CG-CG2 4.31Å; L144-V354 HydrophobicContact CD1-CG1 4.38Å; D158-V354 WeakPolarHBondContact OD2-CG2 3.5Å; H352-V354 VanDerWaalsContact C-N 3.28Å; H352-V354 PolarHBondContact O-N 2.68Å; V354-G358 PolarHBondContact O-N 3.05Å
355F96.2Very high94.3Very high0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-64.3-47.9177.6173.9-87.4000111.1V10 D12 K19 F27 P28 H352 M353 G357 G358 A359V10-F355 HydrophobicContact CB-CD2 4.38Å; V10-F355 HydrophobicContact CB-CE2 3.85Å; V10-F355 HydrophobicContact CB-CZ 4.48Å; V10-F355 HydrophobicContact CG1-CD2 3.91Å; V10-F355 HydrophobicContact CG1-CE2 3.9Å; D12-F355 HydrophobicContact CB-CB 4.44Å; K19-F355 HydrophobicContact CB-CB 4.39Å; K19-F355 HydrophobicContact CB-CD2 4.37Å; F27-F355 VanDerWaalsContact C-CE1 3.48Å; P28-F355 VanDerWaalsContact CA-CE1 3.41Å; P28-F355 HydrophobicContact CB-CD1 4.03Å; P28-F355 HydrophobicContact CB-CD2 4.32Å; P28-F355 HydrophobicContact CB-CE1 4.1Å; P28-F355 HydrophobicContact CB-CE2 4.37Å; P28-F355 HydrophobicContact CB-CG 4.16Å; P28-F355 HydrophobicContact CB-CZ 4.27Å; P28-F355 HydrophobicContact CG-CB 4.14Å; P28-F355 HydrophobicContact CG-CD1 3.54Å; P28-F355 HydrophobicContact CG-CD2 4.34Å; P28-F355 HydrophobicContact CG-CE1 4.07Å; P28-F355 HydrophobicContact CG-CG 3.72Å; P28-F355 VanDerWaalsContact N-CE1 3.33Å; H352-F355 WeakPolarHBondContact O-CB 3.21Å; H352-F355 PolarHBondContact O-N 3.45Å; M353-F355 VanDerWaalsContact C-N 3.34Å; M353-F355 PolarHBondContact O-N 2.92Å; F355-G357 VanDerWaalsContact C-N 3.31Å; F355-G357 PolarHBondContact O-N 2.6Å; F355-G358 CarbonylContact O-C 3.46Å; F355-G358 WeakPolarHBondContact O-CA 3.4Å; F355-G358 PolarHBondContact O-N 2.99Å; F355-G358 VanDerWaalsContact O-N 3.12Å; F355-A359 HydrophobicContact CE1-CB 4.16Å; F355-A359 HydrophobicContact CZ-CB 4.46Å; F355-A359 WeakPolarHBondContact O-CB 3.38Å; F355-A359 PolarHBondContact O-N 3.22Å
356C93.7Very high94.2Very high19 Ų1937.3 Ų37.313%0.12820%0.202CC..Hα-helixtrans-59.4-43.1-179.4-61.30000111.4N26 H352 M353 A359 V360N26-C356 PolarHBondContact O-SG 3.05Å; H352-C356 PolarHBondContact O-N 2.9Å; H352-C356 PolarHBondContact O-SG 3.38Å; H352-C356 VanDerWaalsContact O-SG 3.34Å; M353-C356 PolarHBondContact O-N 2.91Å; C356-A359 PolarHBondContact O-N 3.27Å; C356-V360 WeakPolarHBondContact O-CG2 3.31Å; C356-V360 PolarHBondContact O-N 2.99Å
357G93.8Very high94.1Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-62.9-41.7174.400000112.7L144 M353 F355 V360 L361L144-G357 WeakPolarHBondContact O-CA 3.44Å; M353-G357 PolarHBondContact O-N 3.47Å; F355-G357 VanDerWaalsContact C-N 3.31Å; F355-G357 PolarHBondContact O-N 2.6Å; G357-V360 PolarHBondContact O-N 3.18Å; G357-L361 VanDerWaalsContact O-CB 3.32Å; G357-L361 WeakPolarHBondContact O-CB 3.47Å; G357-L361 PolarHBondContact O-N 3.07Å
358G95.6Very high94.1Very high0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-60.7-43.3172.300000112.8V354 F355 L361 A362V354-G358 PolarHBondContact O-N 3.05Å; F355-G358 CarbonylContact O-C 3.46Å; F355-G358 WeakPolarHBondContact O-CA 3.4Å; F355-G358 PolarHBondContact O-N 2.99Å; F355-G358 VanDerWaalsContact O-N 3.12Å; G358-L361 PolarHBondContact O-N 3.47Å; G358-A362 WeakPolarHBondContact O-CB 3.35Å; G358-A362 PolarHBondContact O-N 3.41Å
359A95.4Very high93.9Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-63.8-41.3177.700000112.3G24 S25 F355 C356 Q363G24-A359 PolarHBondContact N-O 3.05Å; S25-A359 WeakPolarHBondContact O-CB 3.41Å; F355-A359 HydrophobicContact CE1-CB 4.16Å; F355-A359 HydrophobicContact CZ-CB 4.46Å; F355-A359 WeakPolarHBondContact O-CB 3.38Å; F355-A359 PolarHBondContact O-N 3.22Å; C356-A359 PolarHBondContact O-N 3.27Å; A359-Q363 VanDerWaalsContact O-CB 3.27Å; A359-Q363 WeakPolarHBondContact O-CB 3.13Å; A359-Q363 PolarHBondContact O-N 2.97Å; A359-Q363 VanDerWaalsContact O-N 3.08Å
360V93.3Very high93.8Very high68 Ų6850 Ų5041%0.41224%0.237SC..Hα-helixtrans-66.8-49.6174.7172.50000110.8C356 G357 A362 Q363 L364C356-V360 WeakPolarHBondContact O-CG2 3.31Å; C356-V360 PolarHBondContact O-N 2.99Å; G357-V360 PolarHBondContact O-N 3.18Å; V360-A362 PolarHBondContact O-N 2.93Å; V360-Q363 WeakPolarHBondContact O-CB 3.14Å; V360-Q363 PolarHBondContact O-N 3.15Å; V360-L364 HydrophobicContact CG1-CD1 3.91Å; V360-L364 HydrophobicContact CG1-CG 4.47Å; V360-L364 WeakPolarHBondContact O-CG 3.37Å; V360-L364 PolarHBondContact O-N 3.27Å
361L93.4Very high93.6Very high23 Ų2349.1 Ų49.112%0.1223%0.234CC..Hα-helixtrans-60.9-47.8-179.8-17963.8000111.4L108 L144 Y147 G357 G358 Q363 L364 M365 F371L108-L361 HydrophobicContact CD1-CD2 4.22Å; L108-L361 HydrophobicContact CD1-CG 4.41Å; L144-L361 HydrophobicContact CD2-CB 4.21Å; L144-L361 HydrophobicContact CD2-CD2 3.51Å; Y147-L361 HydrophobicContact CD2-CD1 4.43Å; Y147-L361 HydrophobicContact CD2-CD2 4.46Å; G357-L361 VanDerWaalsContact O-CB 3.32Å; G357-L361 WeakPolarHBondContact O-CB 3.47Å; G357-L361 PolarHBondContact O-N 3.07Å; G358-L361 PolarHBondContact O-N 3.47Å; L361-Q363 VanDerWaalsContact C-N 3.26Å; L361-Q363 PolarHBondContact O-N 3.05Å; L361-L364 PolarHBondContact O-N 2.76Å; L361-M365 HydrophobicContact CD1-CG 3.75Å; L361-M365 HydrophobicContact CG-CG 4.34Å; L361-M365 WeakPolarHBondContact O-CB 3.46Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.25Å; L361-M365 PolarHBondContact O-N 3.06Å; L361-F371 HydrophobicContact CD1-CE2 4.22Å; L361-F371 HydrophobicContact CD1-CZ 4.39Å; L361-F371 HydrophobicContact CD2-CE2 4.04Å; L361-F371 HydrophobicContact CD2-CZ 3.82Å; L361-F371 HydrophobicContact CG-CE2 4.13Å; L361-F371 HydrophobicContact CG-CZ 3.84Å
362A95.2Very high93.6Very high0 Ų044.9 Ų44.90%022%0.216CC..Hα-helixtrans-59.2-38.317700000111.8V8 V10 A23 L108 G358 V360 R366 W372V8-A362 HydrophobicContact CG1-CB 3.84Å; V10-A362 HydrophobicContact CG2-CB 3.77Å; A23-A362 HydrophobicContact CB-CB 3.75Å; L108-A362 HydrophobicContact CB-CB 4.31Å; L108-A362 HydrophobicContact CD1-CB 3.99Å; G358-A362 WeakPolarHBondContact O-CB 3.35Å; G358-A362 PolarHBondContact O-N 3.41Å; V360-A362 PolarHBondContact O-N 2.93Å; A362-R366 WeakPolarHBondContact O-CA 3.36Å; A362-R366 WeakPolarHBondContact O-CB 3Å; A362-R366 PolarHBondContact O-N 3.16Å; A362-W372 HydrophobicContact CB-CH2 4.44Å
363Q94.4Very high93.7Very high62 Ų6243.5 Ų43.529%0.2921%0.209SC..Hα-helixtrans-67.9-42.6178.1-179.260.716.700112A23 A359 V360 L361 R366A23-Q363 HydrophobicContact CB-CB 4.12Å; A359-Q363 VanDerWaalsContact O-CB 3.27Å; A359-Q363 WeakPolarHBondContact O-CB 3.13Å; A359-Q363 PolarHBondContact O-N 2.97Å; A359-Q363 VanDerWaalsContact O-N 3.08Å; V360-Q363 WeakPolarHBondContact O-CB 3.14Å; V360-Q363 PolarHBondContact O-N 3.15Å; L361-Q363 VanDerWaalsContact C-N 3.26Å; L361-Q363 PolarHBondContact O-N 3.05Å; Q363-R366 VanDerWaalsContact NE2-NH1 3.12Å; Q363-R366 WeakPolarHBondContact O-CD 3.2Å; Q363-R366 WeakPolarHBondContact O-CG 3.47Å; Q363-R366 PolarHBondContact O-NH1 2.8Å
364L93Very high93.8Very high121 Ų12144.9 Ų44.963%0.63422%0.215SC*.Hα-helixtrans-69.3-36.7178.8-69.4172000112V360 L361V360-L364 HydrophobicContact CG1-CD1 3.91Å; V360-L364 HydrophobicContact CG1-CG 4.47Å; V360-L364 WeakPolarHBondContact O-CG 3.37Å; V360-L364 PolarHBondContact O-N 3.27Å; L361-L364 PolarHBondContact O-N 2.76Å
365M94.3Very high93.8Very high47 Ų4747.4 Ų47.423%0.23223%0.225CC..Hα-helixtrans-96.50.8-173.8-58.3-59.2-108.300114.1L361 D367 R368 F371 W372L361-M365 HydrophobicContact CD1-CG 3.75Å; L361-M365 HydrophobicContact CG-CG 4.34Å; L361-M365 WeakPolarHBondContact O-CB 3.46Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.25Å; L361-M365 PolarHBondContact O-N 3.06Å; M365-D367 PolarHBondContact O-N 3.43Å; M365-R368 HydrophobicContact CB-CB 4.47Å; M365-R368 WeakPolarHBondContact O-CB 3.36Å; M365-R368 PolarHBondContact O-N 3.34Å; M365-R368 HydrophobicContact SD-CB 4.38Å; M365-R368 HydrophobicContact SD-CG 3.91Å; M365-F371 HydrophobicContact CB-CB 4.15Å; M365-F371 HydrophobicContact CB-CD1 3.47Å; M365-F371 VanDerWaalsContact CB-CD1 3.47Å; M365-F371 HydrophobicContact CB-CD2 3.99Å; M365-F371 HydrophobicContact CB-CE1 3.75Å; M365-F371 HydrophobicContact CB-CE2 4.25Å; M365-F371 HydrophobicContact CB-CG 3.6Å; M365-F371 HydrophobicContact CB-CZ 4.13Å; M365-F371 HydrophobicContact CE-CB 4.15Å; M365-F371 HydrophobicContact CE-CD2 3.5Å; M365-F371 VanDerWaalsContact CE-CD2 3.5Å; M365-F371 HydrophobicContact CE-CE2 4.19Å; M365-F371 HydrophobicContact CE-CG 4.04Å; M365-F371 HydrophobicContact CG-CD1 4.2Å; M365-F371 HydrophobicContact CG-CD2 3.8Å; M365-F371 HydrophobicContact CG-CE1 4.29Å; M365-F371 HydrophobicContact CG-CE2 3.92Å; M365-F371 HydrophobicContact CG-CG 3.95Å; M365-F371 HydrophobicContact CG-CZ 4.16Å; M365-F371 HydrophobicContact SD-CD2 4.48Å; M365-W372 PolarHBondContact O-NE1 3.37Å
366R94.8Very high93.6Very high77 Ų7750.4 Ų50.429%0.29125%0.246SC..THydrogen-bonded Turntrans-49.2-35.6-174.669.1-172-175.1-100.51.8114.6M1 D2 V8 K106 A362 Q363 W372M1-R366 WeakPolarHBondContact O-CD 3.25Å; D2-R366 HydrophobicContact CB-CB 4.11Å; D2-R366 HydrophobicContact CB-CG 4.4Å; V8-R366 HydrophobicContact CG2-CB 4.04Å; K106-R366 PolarHBondContact NZ-O 2.92Å; A362-R366 WeakPolarHBondContact O-CA 3.36Å; A362-R366 WeakPolarHBondContact O-CB 3Å; A362-R366 PolarHBondContact O-N 3.16Å; Q363-R366 VanDerWaalsContact NE2-NH1 3.12Å; Q363-R366 WeakPolarHBondContact O-CD 3.2Å; Q363-R366 WeakPolarHBondContact O-CG 3.47Å; Q363-R366 PolarHBondContact O-NH1 2.8Å; R366-W372 PolarHBondContact O-NE1 3Å
367D94Very high93.6Very high62 Ų6252.8 Ų52.833%0.33226%0.255SS..THydrogen-bonded Turntrans-106.412.1-177-62.5-50.5000113.1S3 M365S3-D367 WeakPolarHBondContact CB-OD1 3.48Å; S3-D367 PolarHBondContact N-OD1 2.74Å; S3-D367 PolarHBondContact OG-OD1 3.47Å; M365-D367 PolarHBondContact O-N 3.43Å
368R93.2Very high93.6Very high165 Ų16553.9 Ų53.962%0.62326%0.26SS*.  trans-98.599.9-179.9-65.9-65.3-169-171.31.2110.8M365 E370 F371 W372M365-R368 HydrophobicContact CB-CB 4.47Å; M365-R368 WeakPolarHBondContact O-CB 3.36Å; M365-R368 PolarHBondContact O-N 3.34Å; M365-R368 HydrophobicContact SD-CB 4.38Å; M365-R368 HydrophobicContact SD-CG 3.91Å; R368-E370 VanDerWaalsContact C-N 3.26Å; R368-E370 PolarHBondContact O-N 3.43Å; R368-F371 HydrophobicContact CB-CB 4.06Å; R368-F371 WeakPolarHBondContact O-CB 3.34Å; R368-F371 PolarHBondContact O-N 2.88Å; R368-W372 VanDerWaalsContact O-CD1 3.3Å
369D89.4Confident93.5Very high101 Ų10160.2 Ų60.254%0.5429%0.289SS..THydrogen-bonded Turntrans-61.8-30.8-174.7-66.6-33.8000114.4F371 Y374 K389D369-F371 PolarHBondContact O-N 3.26Å; D369-Y374 HydrophobicContact CB-CE2 4.04Å; D369-Y374 PolarHBondContact OD1-OH 2.74Å; D369-K389 PolarHBondContact O-NZ 3.15Å
370E89.3Confident93.4Very high149 Ų14968.4 Ų68.470%0.69633%0.327SS*.THydrogen-bonded Turntrans-69.8-17.8176.5-61.5175.5-174.300113.3R368 K389 R393R368-E370 VanDerWaalsContact C-N 3.26Å; R368-E370 PolarHBondContact O-N 3.43Å; E370-K389 VanDerWaalsContact C-CE 3.46Å; E370-K389 WeakPolarHBondContact O-CE 3.35Å; E370-R393 PolarHBondContact O-NH2 2.91Å
371F91.5Very high93.2Very high9 Ų966.9 Ų66.94%0.03933%0.326CS..THydrogen-bonded Turntrans-84.2-37-178.5179.2-96.9000112.5L108 H137 L361 M365 R368 D369L108-F371 HydrophobicContact CD1-CE1 4.32Å; L108-F371 HydrophobicContact CD1-CZ 4.1Å; H137-F371 HydrophobicContact CB-CD1 4.36Å; H137-F371 HydrophobicContact CB-CE1 3.82Å; H137-F371 HydrophobicContact CB-CZ 4.26Å; H137-F371 AromaticContact CD2-CE1 3.74Å; H137-F371 AromaticContact CD2-CE2 3.79Å; H137-F371 AromaticContact CD2-CZ 3.24Å; H137-F371 WeakPolarHBondContact CD2-CZ 3.37Å; H137-F371 AromaticContact CE1-CD2 3.9Å; H137-F371 AromaticContact CE1-CE2 3.52Å; H137-F371 AromaticContact CE1-CZ 3.75Å; H137-F371 AromaticContact CG-CE1 3.53Å; H137-F371 AromaticContact CG-CZ 3.51Å; H137-F371 AromaticContact ND1-CE1 3.9Å; H137-F371 AromaticContact ND1-CE2 3.92Å; H137-F371 AromaticContact ND1-CZ 3.81Å; H137-F371 PolarHBondContact ND1-O 3.36Å; H137-F371 AromaticContact NE2-CE2 3.41Å; H137-F371 WeakPolarHBondContact NE2-CE2 3.46Å; H137-F371 AromaticContact NE2-CZ 3.4Å; H137-F371 WeakPolarHBondContact NE2-CZ 3.4Å; L361-F371 HydrophobicContact CD1-CE2 4.22Å; L361-F371 HydrophobicContact CD1-CZ 4.39Å; L361-F371 HydrophobicContact CD2-CE2 4.04Å; L361-F371 HydrophobicContact CD2-CZ 3.82Å; L361-F371 HydrophobicContact CG-CE2 4.13Å; L361-F371 HydrophobicContact CG-CZ 3.84Å; M365-F371 HydrophobicContact CB-CB 4.15Å; M365-F371 HydrophobicContact CB-CD1 3.47Å; M365-F371 VanDerWaalsContact CB-CD1 3.47Å; M365-F371 HydrophobicContact CB-CD2 3.99Å; M365-F371 HydrophobicContact CB-CE1 3.75Å; M365-F371 HydrophobicContact CB-CE2 4.25Å; M365-F371 HydrophobicContact CB-CG 3.6Å; M365-F371 HydrophobicContact CB-CZ 4.13Å; M365-F371 HydrophobicContact CE-CB 4.15Å; M365-F371 HydrophobicContact CE-CD2 3.5Å; M365-F371 VanDerWaalsContact CE-CD2 3.5Å; M365-F371 HydrophobicContact CE-CE2 4.19Å; M365-F371 HydrophobicContact CE-CG 4.04Å; M365-F371 HydrophobicContact CG-CD1 4.2Å; M365-F371 HydrophobicContact CG-CD2 3.8Å; M365-F371 HydrophobicContact CG-CE1 4.29Å; M365-F371 HydrophobicContact CG-CE2 3.92Å; M365-F371 HydrophobicContact CG-CG 3.95Å; M365-F371 HydrophobicContact CG-CZ 4.16Å; M365-F371 HydrophobicContact SD-CD2 4.48Å; R368-F371 HydrophobicContact CB-CB 4.06Å; R368-F371 WeakPolarHBondContact O-CB 3.34Å; R368-F371 PolarHBondContact O-N 2.88Å; D369-F371 PolarHBondContact O-N 3.26Å
372W94.2Very high93.2Very high0 Ų067.2 Ų67.20%033%0.334CS..SBendtrans-92.5136.6-175.6-59.797.3000110.9V8 K106 L107 L108 H137 A362 M365 R366 R368 Y374 K389V8-W372 HydrophobicContact CG1-CH2 3.51Å; V8-W372 HydrophobicContact CG1-CZ2 3.83Å; K106-W372 HydrophobicContact CB-CE3 4.21Å; K106-W372 HydrophobicContact CB-CH2 4.31Å; K106-W372 HydrophobicContact CB-CZ3 4.08Å; K106-W372 HydrophobicContact CD-CD2 4.01Å; K106-W372 HydrophobicContact CD-CE3 4.47Å; K106-W372 HydrophobicContact CD-CG 4.27Å; K106-W372 HydrophobicContact CD-CZ2 4.44Å; L107-W372 WeakPolarHBondContact O-CZ3 3.33Å; L108-W372 HydrophobicContact CB-CH2 4.26Å; L108-W372 HydrophobicContact CB-CZ3 4.35Å; H137-W372 HydrophobicContact CB-CE3 3.86Å; H137-W372 HydrophobicContact CB-CZ3 3.9Å; A362-W372 HydrophobicContact CB-CH2 4.44Å; M365-W372 PolarHBondContact O-NE1 3.37Å; R366-W372 PolarHBondContact O-NE1 3Å; R368-W372 VanDerWaalsContact O-CD1 3.3Å; W372-Y374 HydrophobicContact CB-CE1 4.48Å; W372-Y374 HydrophobicContact CB-CE2 4.15Å; W372-K389 WeakPolarHBondContact O-CE 3.33Å; W372-K389 PolarHBondContact O-NZ 3.28Å
373I94.7Very high93Very high1 Ų169.3 Ų69.31%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-78.8121.2161.5-51.9165.9000106.2V124 F128 G135 V136 E377 A386 K389 L390V124-I373 HydrophobicContact CG1-CD1 4.49Å; F128-I373 HydrophobicContact CE2-CB 4.4Å; F128-I373 HydrophobicContact CE2-CG2 3.84Å; F128-I373 HydrophobicContact CZ-CB 4.14Å; F128-I373 HydrophobicContact CZ-CG2 3.84Å; F128-I373 WeakPolarHBondContact CZ-O 3.34Å; G135-I373 CarbonylContact C-O 3.56Å; G135-I373 WeakPolarHBondContact CA-O 3.25Å; V136-I373 PolarHBondContact N-O 3.28Å; V136-I373 WeakPolarHBondContact O-CB 3.43Å; V136-I373 PolarHBondContact O-N 2.94Å; I373-E377 WeakPolarHBondContact CA-OE2 3.43Å; I373-A386 HydrophobicContact CD1-CB 4.13Å; I373-A386 WeakPolarHBondContact CD1-O 3.29Å; I373-A386 HydrophobicContact CG2-CB 3.66Å; I373-K389 HydrophobicContact CG1-CB 4.31Å; I373-K389 HydrophobicContact CG1-CD 4.32Å; I373-L390 HydrophobicContact CD1-CD1 3.74Å; I373-L390 HydrophobicContact CD1-CD2 4Å; I373-L390 HydrophobicContact CD1-CG 3.67Å; I373-L390 HydrophobicContact CG1-CG 4.48Å
374Y94.9Very high92.7Very high31 Ų3171 Ų7112%0.12236%0.36CS..EExtended strand (participates in β ladder)trans-90.4152.2177.2-73.8-75.9000111.8K106 Q134 D369 W372 S376 E377 Y378K106-Y374 PolarHBondContact NZ-OH 2.75Å; Q134-Y374 WeakPolarHBondContact O-CA 3.32Å; Q134-Y374 WeakPolarHBondContact O-CD1 3.26Å; D369-Y374 HydrophobicContact CB-CE2 4.04Å; D369-Y374 PolarHBondContact OD1-OH 2.74Å; W372-Y374 HydrophobicContact CB-CE1 4.48Å; W372-Y374 HydrophobicContact CB-CE2 4.15Å; Y374-S376 PolarHBondContact O-N 3.18Å; Y374-E377 PolarHBondContact N-OE2 2.87Å; Y374-E377 WeakPolarHBondContact O-CB 3.42Å; Y374-E377 PolarHBondContact O-N 2.99Å; Y374-Y378 PolarHBondContact O-N 3.33Å; Y374-Y378 VanDerWaalsContact O-N 3.09Å
375K94.7Very high92.3Very high61 Ų6167.2 Ų67.227%0.26535%0.346SS..Hα-helixtrans-55-40177.3-169.3-179.5-176.3-163.20112.3F128 Q134 E377 Y378 E379F128-K375 HydrophobicContact CD1-CB 3.95Å; F128-K375 HydrophobicContact CD1-CG 4Å; F128-K375 HydrophobicContact CE1-CB 4Å; Q134-K375 PolarHBondContact O-N 2.76Å; K375-E377 PolarHBondContact O-N 3.15Å; K375-Y378 WeakPolarHBondContact O-CB 3.05Å; K375-Y378 PolarHBondContact O-N 3.49Å; K375-E379 WeakPolarHBondContact CE-OE1 3.48Å; K375-E379 HydrophobicContact CG-CG 4.42Å; K375-E379 IonicContact NZ-OE1 3.67Å; K375-E379 WeakPolarHBondContact O-CG 3.45Å; K375-E379 PolarHBondContact O-N 3.21Å
376S93.3Very high92Very high62 Ų6265 Ų6543%0.43434%0.336SS..Hα-helixtrans-62.1-41.317655.50000112.8Y374 Y378 E379 E380Y374-S376 PolarHBondContact O-N 3.18Å; S376-Y378 VanDerWaalsContact C-N 3.29Å; S376-Y378 PolarHBondContact O-N 2.98Å; S376-E379 PolarHBondContact O-N 3.48Å; S376-E380 WeakPolarHBondContact O-CB 3.21Å; S376-E380 WeakPolarHBondContact O-CG 3.2Å; S376-E380 PolarHBondContact O-N 3.23Å
377E92.2Very high91.7Very high70 Ų7061.8 Ų61.833%0.32732%0.324SS..Hα-helixtrans-64.1-37.1176.2-63.1175.8130.300111.1I373 Y374 K375 G381 K389I373-E377 WeakPolarHBondContact CA-OE2 3.43Å; Y374-E377 PolarHBondContact N-OE2 2.87Å; Y374-E377 WeakPolarHBondContact O-CB 3.42Å; Y374-E377 PolarHBondContact O-N 2.99Å; K375-E377 PolarHBondContact O-N 3.15Å; E377-G381 PolarHBondContact O-N 3.18Å; E377-K389 VanDerWaalsContact CD-NZ 3.27Å; E377-K389 IonicContact OE1-NZ 3.82Å; E377-K389 PolarHBondContact OE1-NZ 3.43Å; E377-K389 IonicContact OE2-NZ 2.67Å; E377-K389 PolarHBondContact OE2-NZ 2.64Å
378Y94.3Very high91.2Very high23 Ų2365.1 Ų65.19%0.0934%0.335CS..Hα-helixtrans-68.6-44174.9178.3-98.1000112.3E125 F128 E129 Y374 K375 S376 E380 G382 I383 A386E125-Y378 WeakPolarHBondContact CG-OH 3.44Å; F128-Y378 HydrophobicContact CB-CD1 3.65Å; F128-Y378 HydrophobicContact CB-CE1 3.86Å; F128-Y378 HydrophobicContact CB-CG 4.13Å; F128-Y378 AromaticContact CD2-CD1 3.94Å; F128-Y378 HydrophobicContact CD2-CD1 3.94Å; F128-Y378 AromaticContact CD2-CD2 3.68Å; F128-Y378 HydrophobicContact CD2-CD2 3.68Å; F128-Y378 HydrophobicContact CD2-CE2 4.27Å; F128-Y378 AromaticContact CD2-CG 3.48Å; F128-Y378 HydrophobicContact CD2-CG 3.48Å; F128-Y378 VanDerWaalsContact CD2-CG 3.48Å; F128-Y378 HydrophobicContact CE2-CD2 4.18Å; F128-Y378 HydrophobicContact CE2-CG 4.05Å; F128-Y378 AromaticContact CG-CD1 3.95Å; F128-Y378 HydrophobicContact CG-CD1 3.95Å; F128-Y378 HydrophobicContact CG-CD2 4.5Å; F128-Y378 AromaticContact CG-CG 3.94Å; F128-Y378 HydrophobicContact CG-CG 3.94Å; E129-Y378 HydrophobicContact CG-CE1 3.95Å; E129-Y378 PolarHBondContact OE1-OH 3.48Å; Y374-Y378 PolarHBondContact O-N 3.33Å; Y374-Y378 VanDerWaalsContact O-N 3.09Å; K375-Y378 WeakPolarHBondContact O-CB 3.05Å; K375-Y378 PolarHBondContact O-N 3.49Å; S376-Y378 VanDerWaalsContact C-N 3.29Å; S376-Y378 PolarHBondContact O-N 2.98Å; Y378-E380 PolarHBondContact O-N 3.18Å; Y378-G382 WeakPolarHBondContact O-CA 3.37Å; Y378-G382 PolarHBondContact O-N 2.73Å; Y378-I383 HydrophobicContact CE2-CB 4.15Å; Y378-I383 HydrophobicContact CE2-CD1 3.95Å; Y378-A386 HydrophobicContact CD2-CB 4.18Å
379E94.5Very high90.6Very high132 Ų13259.3 Ų59.362%0.61732%0.315SS*.Hα-helixtrans-65.9-36.3179-73.2172.4169.700112.3K375 S376K375-E379 WeakPolarHBondContact CE-OE1 3.48Å; K375-E379 HydrophobicContact CG-CG 4.42Å; K375-E379 IonicContact NZ-OE1 3.67Å; K375-E379 WeakPolarHBondContact O-CG 3.45Å; K375-E379 PolarHBondContact O-N 3.21Å; S376-E379 PolarHBondContact O-N 3.48Å
380E93Very high90Very high172 Ų17255.6 Ų55.680%0.80430%0.295SS*.Hα-helixtrans-78.2-42.8179.1-71.9175.3-17300113.3S376 Y378S376-E380 WeakPolarHBondContact O-CB 3.21Å; S376-E380 WeakPolarHBondContact O-CG 3.2Å; S376-E380 PolarHBondContact O-N 3.23Å; Y378-E380 PolarHBondContact O-N 3.18Å
381G89.5Confident88.7Confident37 Ų3753.5 Ų53.538%0.38129%0.287SS..Hα-helixtrans-110.9-4.2-169.900000115.4E377 A385E377-G381 PolarHBondContact O-N 3.18Å; G381-A385 WeakPolarHBondContact O-CB 3.44Å
382G92.5Very high86.3Confident29 Ų2959.6 Ų59.630%0.29932%0.319SS..Hα-helixtrans62.8-167.9-174.100000113.7Y378 T384 A385 A386Y378-G382 WeakPolarHBondContact O-CA 3.37Å; Y378-G382 PolarHBondContact O-N 2.73Å; G382-T384 PolarHBondContact O-N 3.22Å; G382-A385 PolarHBondContact O-N 3.17Å; G382-A386 PolarHBondContact O-N 2.86Å
383I91.3Very high83.9Confident44 Ų4465.8 Ų65.823%0.22634%0.342CS..Hα-helixtrans-61-33.3-177.7-165.962.1000113E121 V124 Y378 A385 A386 M387E121-I383 HydrophobicContact CB-CD1 4.25Å; E121-I383 HydrophobicContact CB-CG1 3.84Å; E121-I383 HydrophobicContact CG-CD1 4.5Å; E121-I383 HydrophobicContact CG-CG1 3.84Å; E121-I383 WeakPolarHBondContact O-CD1 3.33Å; V124-I383 HydrophobicContact CB-CD1 3.91Å; V124-I383 HydrophobicContact CG1-CD1 3.86Å; Y378-I383 HydrophobicContact CE2-CB 4.15Å; Y378-I383 HydrophobicContact CE2-CD1 3.95Å; I383-A385 PolarHBondContact O-N 3.12Å; I383-A386 PolarHBondContact O-N 3.11Å; I383-M387 HydrophobicContact CD1-CG 4.34Å; I383-M387 HydrophobicContact CG1-CG 4.13Å; I383-M387 WeakPolarHBondContact O-CB 3.37Å; I383-M387 WeakPolarHBondContact O-CG 3.18Å; I383-M387 PolarHBondContact O-N 2.85Å
384T88.1Confident83.3Confident97 Ų9769 Ų6960%0.59536%0.359SS*.Hα-helixtrans-63.1-40.7-179.7-54.30000112.1G382 K388G382-T384 PolarHBondContact O-N 3.22Å; T384-K388 WeakPolarHBondContact O-CG 3.42Å; T384-K388 PolarHBondContact O-N 3.45Å
385A85.4Confident82.7Confident42 Ų4271 Ų7135%0.34737%0.372SS..Hα-helixtrans-69-43.9177.200000111.3G381 G382 I383 M387 K388G381-A385 WeakPolarHBondContact O-CB 3.44Å; G382-A385 PolarHBondContact O-N 3.17Å; I383-A385 PolarHBondContact O-N 3.12Å; A385-M387 VanDerWaalsContact C-N 3.34Å; A385-M387 PolarHBondContact O-N 3.01Å; A385-K388 PolarHBondContact O-N 3.22Å
386A87.3Confident82.1Confident2 Ų271.6 Ų71.62%0.01738%0.378CS..Hα-helixtrans-56.4-46.1176.100000112.1V124 I373 Y378 G382 I383 K388 K389V124-A386 HydrophobicContact CG1-CB 4.28Å; I373-A386 HydrophobicContact CD1-CB 4.13Å; I373-A386 WeakPolarHBondContact CD1-O 3.29Å; I373-A386 HydrophobicContact CG2-CB 3.66Å; Y378-A386 HydrophobicContact CD2-CB 4.18Å; G382-A386 PolarHBondContact O-N 2.86Å; I383-A386 PolarHBondContact O-N 3.11Å; A386-K388 PolarHBondContact O-N 3.23Å; A386-K389 PolarHBondContact O-N 3.02Å
387M87.3Confident81.4Confident8 Ų872.1 Ų72.14%0.03937%0.374CS..Hα-helixtrans-68.1-31.3-177.4-68.7-62.2-67.400113.6R120 E121 I383 A385 K389 L390 L391R120-M387 HydrophobicContact CB-CE 4.04Å; R120-M387 HydrophobicContact CG-CE 3.87Å; R120-M387 HydrophobicContact CG-SD 4.12Å; E121-M387 HydrophobicContact CG-CE 3.85Å; E121-M387 HydrophobicContact CG-CG 3.71Å; E121-M387 HydrophobicContact CG-SD 3.8Å; I383-M387 HydrophobicContact CD1-CG 4.34Å; I383-M387 HydrophobicContact CG1-CG 4.13Å; I383-M387 WeakPolarHBondContact O-CB 3.37Å; I383-M387 WeakPolarHBondContact O-CG 3.18Å; I383-M387 PolarHBondContact O-N 2.85Å; A385-M387 VanDerWaalsContact C-N 3.34Å; A385-M387 PolarHBondContact O-N 3.01Å; M387-K389 PolarHBondContact O-N 3.17Å; M387-L390 PolarHBondContact O-N 3.14Å; M387-L390 VanDerWaalsContact O-N 3.17Å; M387-L390 HydrophobicContact SD-CD1 4.08Å; M387-L391 WeakPolarHBondContact O-CG 3.37Å; M387-L391 PolarHBondContact O-N 3.46Å
388K83.9Confident80.7Confident132 Ų13272.3 Ų72.357%0.57438%0.377SS*.Hα-helixtrans-57.6-40.3174.4-75.7176.7-178.81790111.2T384 A385 A386 L390 L391 I392T384-K388 WeakPolarHBondContact O-CG 3.42Å; T384-K388 PolarHBondContact O-N 3.45Å; A385-K388 PolarHBondContact O-N 3.22Å; A386-K388 PolarHBondContact O-N 3.23Å; K388-L390 VanDerWaalsContact C-N 3.28Å; K388-L390 PolarHBondContact O-N 3.47Å; K388-L391 PolarHBondContact O-N 2.7Å; K388-I392 HydrophobicContact CB-CD1 4.18Å; K388-I392 WeakPolarHBondContact O-CB 3.32Å; K388-I392 WeakPolarHBondContact O-CD1 3.18Å; K388-I392 WeakPolarHBondContact O-CG1 3.47Å; K388-I392 PolarHBondContact O-N 3.15Å; K388-I392 VanDerWaalsContact O-N 3.15Å
389K80.8Confident79.8Confident44 Ų4475.5 Ų75.519%0.19140%0.397CS..Hα-helixtrans-66.4-29.8-179.6-156.4169.8-172.7171.80112.9D369 E370 W372 I373 E377 A386 M387D369-K389 PolarHBondContact O-NZ 3.15Å; E370-K389 VanDerWaalsContact C-CE 3.46Å; E370-K389 WeakPolarHBondContact O-CE 3.35Å; W372-K389 WeakPolarHBondContact O-CE 3.33Å; W372-K389 PolarHBondContact O-NZ 3.28Å; I373-K389 HydrophobicContact CG1-CB 4.31Å; I373-K389 HydrophobicContact CG1-CD 4.32Å; E377-K389 VanDerWaalsContact CD-NZ 3.27Å; E377-K389 IonicContact OE1-NZ 3.82Å; E377-K389 PolarHBondContact OE1-NZ 3.43Å; E377-K389 IonicContact OE2-NZ 2.67Å; E377-K389 PolarHBondContact OE2-NZ 2.64Å; A386-K389 PolarHBondContact O-N 3.02Å; M387-K389 PolarHBondContact O-N 3.17Å
390L77.9Confident78.8Confident23 Ų2371.5 Ų71.512%0.1238%0.381CS..Hα-helixtrans-80.1-32175.7-65.4174.8000113.2R120 V124 V138 I373 M387 K388R120-L390 HydrophobicContact CG-CD1 4.26Å; V124-L390 HydrophobicContact CG2-CD1 4.26Å; V138-L390 HydrophobicContact CB-CD1 4.2Å; V138-L390 HydrophobicContact CB-CD2 4.37Å; V138-L390 HydrophobicContact CG2-CD1 4.21Å; I373-L390 HydrophobicContact CD1-CD1 3.74Å; I373-L390 HydrophobicContact CD1-CD2 4Å; I373-L390 HydrophobicContact CD1-CG 3.67Å; I373-L390 HydrophobicContact CG1-CG 4.48Å; M387-L390 PolarHBondContact O-N 3.14Å; M387-L390 VanDerWaalsContact O-N 3.17Å; M387-L390 HydrophobicContact SD-CD1 4.08Å; K388-L390 VanDerWaalsContact C-N 3.28Å; K388-L390 PolarHBondContact O-N 3.47Å
391L61Low77.7Confident104 Ų10463.8 Ų63.855%0.54535%0.348SS..Hα-helixtrans-88.6-11.9-175.4-67.1169.9000114M387 K388 R393M387-L391 WeakPolarHBondContact O-CG 3.37Å; M387-L391 PolarHBondContact O-N 3.46Å; K388-L391 PolarHBondContact O-N 2.7Å; L391-R393 PolarHBondContact O-N 2.82Å
392I41.1Very low76.7Confident137 Ų13766 Ų6670%0.70335%0.346SS*.  trans-82.69.4-179.1-70.9165.4000112.1K388K388-I392 HydrophobicContact CB-CD1 4.18Å; K388-I392 WeakPolarHBondContact O-CB 3.32Å; K388-I392 WeakPolarHBondContact O-CD1 3.18Å; K388-I392 WeakPolarHBondContact O-CG1 3.47Å; K388-I392 PolarHBondContact O-N 3.15Å; K388-I392 VanDerWaalsContact O-N 3.15Å
393R43.7Very low75.3Confident130 Ų13069.4 Ų69.449%0.49135%0.35SS..  trans-137.30-179.7-60-178.7-179.1-163.9-3.6110.1F173 E370 L391F173-R393 VanDerWaalsContact CD1-O 3.28Å; F173-R393 WeakPolarHBondContact CD1-O 3.12Å; F173-R393 VanDerWaalsContact CE1-O 3.28Å; F173-R393 WeakPolarHBondContact CE1-O 3.31Å; E370-R393 PolarHBondContact O-NH2 2.91Å; L391-R393 PolarHBondContact O-N 2.82Å

Retrieved 393 of 393 residues in 703.8 ms (Link to these results)

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