A0A096ME24_POEFO Loading...

Actin-related protein 2

ATP-binding component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. Seems to contact the pointed end of the daughter actin filament.

AlphaFold DB , UniProt , Accession A0A096ME24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 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
1M77.9Confident87.5Confident142 Ų14250.6 Ų50.670%0.728%0.278SS*.  0150.60-69.2173.2178.600108.2R6 K7M1-R6 CarbonylContact C-O 3.49Å; M1-R6 WeakPolarHBondContact CA-O 3.5Å; M1-R6 WeakPolarHBondContact CB-O 3.44Å; M1-K7 HydrophobicContact CE-CG 4.25Å; M1-K7 HydrophobicContact CG-CG 4.43Å
2D80.1Confident88.2Confident9 Ų947.1 Ų47.15%0.04826%0.258CS..  trans-77.717717076.9-0.6000111.4Q4 G5 R6 K106 K366D2-Q4 PolarHBondContact O-N 2.99Å; D2-Q4 VanDerWaalsContact O-N 3.12Å; D2-Q4 WeakPolarHBondContact OD1-CA 2.89Å; D2-Q4 PolarHBondContact OD1-N 3.46Å; D2-G5 PolarHBondContact O-N 3.4Å; D2-G5 PolarHBondContact OD1-N 2.89Å; D2-G5 VanDerWaalsContact OD1-N 3.17Å; D2-R6 PolarHBondContact N-O 3.5Å; D2-R6 WeakPolarHBondContact OD1-CB 3.3Å; D2-R6 PolarHBondContact OD1-N 2.86Å; D2-R6 IonicContact OD1-NE 2.85Å; D2-R6 IonicContact OD2-CZ 2.67Å; D2-R6 IonicContact OD2-NE 3.15Å; D2-R6 PolarHBondContact OD2-NE 3.08Å; D2-R6 IonicContact OD2-NH2 2.81Å; D2-R6 PolarHBondContact OD2-NH2 3.25Å; D2-K106 WeakPolarHBondContact OD2-CE 3.19Å; D2-K106 IonicContact OD2-NZ 3.79Å; D2-K106 PolarHBondContact OD2-NZ 3.25Å; D2-K366 HydrophobicContact CB-CB 4.17Å; D2-K366 HydrophobicContact CB-CG 4.43Å
3S76.1Confident88.6Confident97 Ų9744.6 Ų44.668%0.67824%0.244SC*.THydrogen-bonded Turntrans-57.8-19.3178.346.70000114.4D367S3-D367 WeakPolarHBondContact CB-OD1 3.38Å; S3-D367 PolarHBondContact N-OD1 3.08Å; S3-D367 PolarHBondContact OG-OD1 2.87Å
4Q79.6Confident88.7Confident129 Ų12942.1 Ų42.160%0.60323%0.234SC*.THydrogen-bonded Turntrans-96.76.3175.4-59.8-1787.400112.3D2 R6D2-Q4 PolarHBondContact O-N 2.99Å; D2-Q4 VanDerWaalsContact O-N 3.12Å; D2-Q4 WeakPolarHBondContact OD1-CA 2.89Å; D2-Q4 PolarHBondContact OD1-N 3.46Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.41Å; Q4-R6 PolarHBondContact O-N 3.11Å; Q4-R6 VanDerWaalsContact OE1-NH1 3.07Å
5G82.8Confident88.9Confident44 Ų4440.1 Ų40.145%0.45422%0.223SC..SBendtrans80.25.6-178.600000114.4D2D2-G5 PolarHBondContact O-N 3.4Å; D2-G5 PolarHBondContact OD1-N 2.89Å; D2-G5 VanDerWaalsContact OD1-N 3.17Å
6R86.6Confident89Confident49 Ų4937.9 Ų37.919%0.18521%0.213CC..  trans-74.4141.3-178.7-61.1176.5-67.8-155.6-9.2110.7M1 D2 Q4 N104 K106M1-R6 CarbonylContact C-O 3.49Å; M1-R6 WeakPolarHBondContact CA-O 3.5Å; M1-R6 WeakPolarHBondContact CB-O 3.44Å; D2-R6 PolarHBondContact N-O 3.5Å; D2-R6 WeakPolarHBondContact OD1-CB 3.3Å; D2-R6 PolarHBondContact OD1-N 2.86Å; D2-R6 IonicContact OD1-NE 2.85Å; D2-R6 IonicContact OD2-CZ 2.67Å; D2-R6 IonicContact OD2-NE 3.15Å; D2-R6 PolarHBondContact OD2-NE 3.08Å; D2-R6 IonicContact OD2-NH2 2.81Å; D2-R6 PolarHBondContact OD2-NH2 3.25Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.41Å; Q4-R6 PolarHBondContact O-N 3.11Å; Q4-R6 VanDerWaalsContact OE1-NH1 3.07Å; R6-N104 WeakPolarHBondContact CB-O 3.29Å; R6-N104 WeakPolarHBondContact CG-O 3.09Å; R6-K106 VanDerWaalsContact CZ-CE 3.43Å
7K91.6Very high89.3Confident82 Ų8238.8 Ų38.836%0.35721%0.214SC..EExtended strand (participates in β ladder)trans-75.5141.2171-64.4-177.3-178.8-1790109.3M1 Y22 I100 C105 K106M1-K7 HydrophobicContact CE-CG 4.25Å; M1-K7 HydrophobicContact CG-CG 4.43Å; K7-Y22 HydrophobicContact CB-CD1 4.32Å; K7-Y22 HydrophobicContact CB-CE1 4.12Å; K7-Y22 HydrophobicContact CD-CE1 3.76Å; K7-Y22 HydrophobicContact CG-CE1 4.43Å; K7-I100 HydrophobicContact CD-CG2 4.46Å; K7-C105 VanDerWaalsContact O-CA 3.29Å; K7-C105 WeakPolarHBondContact O-CA 3.28Å; K7-K106 PolarHBondContact O-N 2.87Å
8V95.8Very high89.7Confident5 Ų536.6 Ų36.63%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-110.6115.6175.2-174.50000107.7Y22 A23 K106 A362 K366 W372V8-Y22 WeakPolarHBondContact O-CA 3.45Å; V8-A23 HydrophobicContact CB-CB 3.76Å; V8-A23 HydrophobicContact CG1-CB 3.9Å; V8-A23 PolarHBondContact O-N 2.74Å; V8-K106 WeakPolarHBondContact CA-O 3.49Å; V8-K106 HydrophobicContact CG1-CB 4.4Å; V8-K106 HydrophobicContact CG2-CB 4.35Å; V8-A362 HydrophobicContact CG1-CB 3.86Å; V8-K366 HydrophobicContact CG2-CB 3.88Å; V8-W372 HydrophobicContact CG1-CH2 3.5Å; V8-W372 HydrophobicContact CG1-CZ2 3.7Å
9V97.2Very high90.1Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-99.8143.9-174.3-179.70000108.8G21 Y22 L98 I100 C105 K106 I107 L108V9-G21 WeakPolarHBondContact CA-O 3.46Å; V9-Y22 HydrophobicContact CG2-CD1 4.27Å; V9-Y22 HydrophobicContact CG2-CE1 4.13Å; V9-L98 HydrophobicContact CG1-CD1 3.66Å; V9-I100 HydrophobicContact CG1-CD1 4.45Å; V9-I100 HydrophobicContact CG2-CD1 3.64Å; V9-C105 HydrophobicContact CG2-CB 4.38Å; V9-K106 PolarHBondContact N-O 3.27Å; V9-I107 HydrophobicContact CB-CB 4.48Å; V9-I107 HydrophobicContact CB-CG1 4.29Å; V9-I107 HydrophobicContact CG1-CD1 4.41Å; V9-I107 HydrophobicContact CG1-CG1 4.35Å; V9-I107 CarbonylContact O-C 3.44Å; V9-I107 WeakPolarHBondContact O-CA 3.4Å; V9-L108 PolarHBondContact O-N 3.05Å
10V97.6Very high90.5Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-121.7130.9174179.70000107.6C20 G21 L108 F355 A359 A362V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.28Å; V10-G21 PolarHBondContact N-O 3.46Å; V10-G21 PolarHBondContact O-N 3.21Å; V10-G21 VanDerWaalsContact O-N 3.11Å; V10-L108 WeakPolarHBondContact CA-O 3.47Å; V10-L108 HydrophobicContact CG1-CD2 4.22Å; V10-L108 HydrophobicContact CG2-CB 4.39Å; V10-F355 HydrophobicContact CB-CD2 4.29Å; V10-F355 HydrophobicContact CB-CE2 3.79Å; V10-F355 HydrophobicContact CB-CZ 4.41Å; V10-F355 HydrophobicContact CG1-CD2 3.77Å; V10-F355 HydrophobicContact CG1-CE2 3.8Å; V10-A359 HydrophobicContact CG2-CB 4.46Å; V10-A362 HydrophobicContact CG2-CB 3.85Å
11C97.3Very high90.8Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-135.3111.9178.1-163.50000111N13 C20 I107 L108 L109 T110C11-N13 PolarHBondContact SG-OD1 3.17Å; C11-C20 HydrophobicContact CB-CB 4.38Å; C11-I107 HydrophobicContact CB-CD1 4.43Å; C11-L108 PolarHBondContact N-O 3.31Å; C11-L109 HydrophobicContact CB-CD2 3.78Å; C11-T110 PolarHBondContact O-N 3.37Å
12D95.9Very high91.7Very high8 Ų828.1 Ų28.14%0.04315%0.154CC..EExtended strand (participates in β ladder)trans-90.8104.3167.5170.637.2000109.8G14 V18 K19 T110 Q141 V354D12-G14 PolarHBondContact O-N 3.25Å; D12-G14 VanDerWaalsContact O-N 3.12Å; D12-V18 WeakPolarHBondContact O-CA 3.33Å; D12-K19 HydrophobicContact CB-CB 4.43Å; D12-K19 HydrophobicContact CB-CD 4.28Å; D12-K19 PolarHBondContact N-O 3.08Å; D12-K19 PolarHBondContact O-N 3.08Å; D12-K19 WeakPolarHBondContact OD2-CD 3.32Å; D12-K19 IonicContact OD2-NZ 3.37Å; D12-K19 PolarHBondContact OD2-NZ 2.97Å; D12-K19 VanDerWaalsContact OD2-NZ 3.13Å; D12-T110 WeakPolarHBondContact CA-OG1 3.28Å; D12-T110 HydrophobicContact CB-CG2 4.31Å; D12-T110 PolarHBondContact OD1-OG1 3.48Å; D12-Q141 PolarHBondContact OD1-NE2 3.48Å; D12-V354 HydrophobicContact CB-CG1 4.23Å
13N92.9Very high92.4Very high15 Ų1528.7 Ų28.78%0.0816%0.16CC..EExtended strand (participates in β ladder)trans-82.781.3177.4-57.4-60.1000109.6C11 M74 M85 W89C11-N13 PolarHBondContact SG-OD1 3.17Å; N13-M74 HydrophobicContact CB-CE 4.14Å; N13-M74 HydrophobicContact CB-SD 3.81Å; N13-M74 VanDerWaalsContact O-SD 3.38Å; N13-M85 HydrophobicContact CB-CE 4.01Å; N13-W89 PolarHBondContact OD1-NE1 3.24Å
14G91Very high93.1Very high9 Ų926 Ų269%0.09315%0.147CC..  trans-83.6145.1176.300000112.7D12 G16 F17 A34 M74D12-G14 PolarHBondContact O-N 3.25Å; D12-G14 VanDerWaalsContact O-N 3.12Å; G14-G16 PolarHBondContact O-N 3.18Å; G14-G16 VanDerWaalsContact O-N 3.1Å; G14-F17 VanDerWaalsContact CA-O 3.29Å; G14-F17 WeakPolarHBondContact CA-O 3.45Å; G14-F17 PolarHBondContact N-O 2.92Å; G14-F17 CarbonylContact O-C 3.16Å; G14-F17 PolarHBondContact O-N 3.11Å; G14-A34 WeakPolarHBondContact O-CB 3.4Å; G14-M74 WeakPolarHBondContact O-CE 3.3Å
15T90.7Very high93.7Very high12 Ų1221.5 Ų21.57%0.07413%0.13CC..SBendtrans-48.9-40.2179.3-45.20000114.4G77T15-G77 WeakPolarHBondContact OG1-CA 3.31Å; T15-G77 PolarHBondContact OG1-N 3.13Å
16G91.3Very high93.9Very high6 Ų624.7 Ų24.76%0.06214%0.137CC..SBendtrans-96.1-37.7179.500000113.5G14 P33 A34 D161G14-G16 PolarHBondContact O-N 3.18Å; G14-G16 VanDerWaalsContact O-N 3.1Å; G16-P33 CarbonylContact O-C 3.57Å; G16-P33 WeakPolarHBondContact O-CA 3.49Å; G16-A34 PolarHBondContact O-N 3.41Å; G16-D161 WeakPolarHBondContact CA-OD2 3.41Å
17F94.6Very high94Very high52 Ų5228.1 Ų28.123%0.22815%0.153CC..EExtended strand (participates in β ladder)trans-142132.8-172.2-64.7-89.8000110.7G14 K19 I31 F32 P33G14-F17 VanDerWaalsContact CA-O 3.29Å; G14-F17 WeakPolarHBondContact CA-O 3.45Å; G14-F17 PolarHBondContact N-O 2.92Å; G14-F17 CarbonylContact O-C 3.16Å; G14-F17 PolarHBondContact O-N 3.11Å; F17-K19 VanDerWaalsContact O-CE 3.23Å; F17-K19 WeakPolarHBondContact O-CE 3.41Å; F17-K19 PolarHBondContact O-NZ 3.26Å; F17-I31 HydrophobicContact CB-CG2 4.3Å; F17-I31 HydrophobicContact CD1-CG2 4.26Å; F17-F32 CarbonylContact C-O 3.59Å; F17-F32 VanDerWaalsContact CA-O 3.27Å; F17-F32 WeakPolarHBondContact CA-O 3.27Å; F17-P33 HydrophobicContact CD1-CG 4.38Å; F17-P33 HydrophobicContact CE1-CG 4.06Å
18V96.5Very high94.2Very high0 Ų024.9 Ų24.90%014%0.141CC..EExtended strand (participates in β ladder)trans-81.2137.4165.9-1790000108.3D12 I31 F32 A34 L88 T92D12-V18 WeakPolarHBondContact O-CA 3.33Å; V18-I31 WeakPolarHBondContact O-CA 3.43Å; V18-F32 HydrophobicContact CB-CD2 4.19Å; V18-F32 HydrophobicContact CB-CE1 4.1Å; V18-F32 HydrophobicContact CB-CE2 3.65Å; V18-F32 HydrophobicContact CB-CZ 3.6Å; V18-F32 HydrophobicContact CG1-CE1 4.06Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.62Å; V18-F32 HydrophobicContact CG2-CD2 4.46Å; V18-F32 HydrophobicContact CG2-CE2 3.79Å; V18-F32 HydrophobicContact CG2-CZ 4.12Å; V18-F32 PolarHBondContact N-O 3.31Å; V18-F32 PolarHBondContact O-N 3.44Å; V18-A34 HydrophobicContact CG2-CB 3.96Å; V18-L88 HydrophobicContact CG2-CD1 4.2Å; V18-L88 HydrophobicContact CG2-CD2 3.76Å; V18-L88 HydrophobicContact CG2-CG 4.08Å; V18-T92 HydrophobicContact CG1-CG2 4.47Å
19K96.7Very high94.1Very high28 Ų2829.6 Ų29.612%0.12216%0.162CC..EExtended strand (participates in β ladder)trans-124.6119.1169.7-52.895.8-170.5169.80108.2D12 F17 P28 H30 I31 F355D12-K19 HydrophobicContact CB-CB 4.43Å; D12-K19 HydrophobicContact CB-CD 4.28Å; D12-K19 PolarHBondContact N-O 3.08Å; D12-K19 PolarHBondContact O-N 3.08Å; D12-K19 WeakPolarHBondContact OD2-CD 3.32Å; D12-K19 IonicContact OD2-NZ 3.37Å; D12-K19 PolarHBondContact OD2-NZ 2.97Å; D12-K19 VanDerWaalsContact OD2-NZ 3.13Å; F17-K19 VanDerWaalsContact O-CE 3.23Å; F17-K19 WeakPolarHBondContact O-CE 3.41Å; F17-K19 PolarHBondContact O-NZ 3.26Å; K19-P28 HydrophobicContact CB-CB 3.87Å; K19-P28 HydrophobicContact CB-CG 3.91Å; K19-P28 HydrophobicContact CG-CG 4.35Å; K19-H30 WeakPolarHBondContact CA-O 3.27Å; K19-I31 HydrophobicContact CB-CG1 4.44Å; K19-I31 HydrophobicContact CG-CG1 4.03Å; K19-I31 HydrophobicContact CG-CG2 4.21Å; K19-F355 HydrophobicContact CB-CB 4.46Å; K19-F355 HydrophobicContact CB-CD2 4.36Å
20C97Very high94.1Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-134.5161.1-178.9680000111.9V10 C11 E29 H30 T92 L98V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.28Å; C11-C20 HydrophobicContact CB-CB 4.38Å; C20-E29 PolarHBondContact O-N 3.05Å; C20-H30 PolarHBondContact N-O 2.95Å; C20-H30 PolarHBondContact O-N 3.04Å; C20-H30 VanDerWaalsContact O-N 3.07Å; C20-T92 HydrophobicContact CB-CG2 3.94Å; C20-L98 HydrophobicContact CB-CD1 4.13Å
21G97Very high94.1Very high0 Ų035.2 Ų35.20%019%0.19CC..EExtended strand (participates in β ladder)trans168.2-156.4-178.400000110V9 V10V9-G21 WeakPolarHBondContact CA-O 3.46Å; V10-G21 PolarHBondContact N-O 3.46Å; V10-G21 PolarHBondContact O-N 3.21Å; V10-G21 VanDerWaalsContact O-N 3.11Å
22Y96.6Very high94Very high45 Ų4535.3 Ų35.318%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-110158.9-175.5-60.6-76.1000112.9K7 V8 V9 S25 E29 L98 I100K7-Y22 HydrophobicContact CB-CD1 4.32Å; K7-Y22 HydrophobicContact CB-CE1 4.12Å; K7-Y22 HydrophobicContact CD-CE1 3.76Å; K7-Y22 HydrophobicContact CG-CE1 4.43Å; V8-Y22 WeakPolarHBondContact O-CA 3.45Å; V9-Y22 HydrophobicContact CG2-CD1 4.27Å; V9-Y22 HydrophobicContact CG2-CE1 4.13Å; Y22-S25 VanDerWaalsContact O-CB 3.25Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 2.82Å; Y22-S25 PolarHBondContact O-OG 2.83Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.35Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.36Å; Y22-L98 HydrophobicContact CE2-CD2 4.33Å; Y22-L98 PolarHBondContact OH-O 3.12Å; Y22-I100 HydrophobicContact CE1-CG2 4.25Å; Y22-I100 WeakPolarHBondContact OH-CG2 3.38Å
23A94.9Very high93.9Very high21 Ų2135.5 Ų35.517%0.17419%0.193CC..THydrogen-bonded Turntrans-55.7138.8167.900000110.9V8 S25 A362 D363V8-A23 HydrophobicContact CB-CB 3.76Å; V8-A23 HydrophobicContact CG1-CB 3.9Å; V8-A23 PolarHBondContact O-N 2.74Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.3Å; A23-A362 HydrophobicContact CB-CB 3.75Å; A23-D363 HydrophobicContact CB-CB 4.09Å
24G90.8Very high94Very high40 Ų4034.9 Ų34.941%0.41219%0.189SC..THydrogen-bonded Turntrans81.4-3.9-177.400000114.7A359G24-A359 PolarHBondContact N-O 2.91Å
25S92.1Very high94.1Very high35 Ų3534.6 Ų34.625%0.24519%0.186CC..  trans-71.7132.6176.7-67.80000112.2Y22 A23 F27Y22-S25 VanDerWaalsContact O-CB 3.25Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 2.82Å; Y22-S25 PolarHBondContact O-OG 2.83Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.3Å; S25-F27 VanDerWaalsContact C-N 3.31Å; S25-F27 WeakPolarHBondContact CB-O 3.23Å
26N87.5Confident94.3Very high112 Ų11234 Ų3460%0.59918%0.182SC*.SBendtrans-79.6-11177.6-80.2-45.6000114.4L356N26-L356 VanDerWaalsContact C-CD2 3.43Å; N26-L356 WeakPolarHBondContact O-CD2 3.34Å
27F89.6Confident94.4Very high120 Ų12033.7 Ų33.753%0.52618%0.179SC..SBendtrans-147.1150.9175.9-65.5-80.6000108.5S25 E29S25-F27 VanDerWaalsContact C-N 3.31Å; S25-F27 WeakPolarHBondContact CB-O 3.23Å; F27-E29 PolarHBondContact O-N 3.05Å
28P94.5Very high94.3Very high15 Ų1535 Ų3510%0.09718%0.182CC..  trans-58.4135.4167.5-14.726.5000109.8K19 I31 H352 F355K19-P28 HydrophobicContact CB-CB 3.87Å; K19-P28 HydrophobicContact CB-CG 3.91Å; K19-P28 HydrophobicContact CG-CG 4.35Å; P28-I31 HydrophobicContact CB-CD1 4.25Å; P28-I31 HydrophobicContact CB-CG1 3.81Å; P28-I31 HydrophobicContact CG-CD1 4.12Å; P28-I31 HydrophobicContact CG-CG1 4.14Å; P28-H352 HydrophobicContact CG-CB 4.05Å; P28-F355 VanDerWaalsContact CA-CE1 3.44Å; P28-F355 HydrophobicContact CB-CD1 4.05Å; P28-F355 HydrophobicContact CB-CD2 4.34Å; P28-F355 HydrophobicContact CB-CE1 4.07Å; P28-F355 HydrophobicContact CB-CE2 4.35Å; P28-F355 HydrophobicContact CB-CG 4.2Å; P28-F355 HydrophobicContact CB-CZ 4.22Å; P28-F355 HydrophobicContact CG-CB 4.25Å; P28-F355 HydrophobicContact CG-CD1 3.57Å; P28-F355 HydrophobicContact CG-CD2 4.4Å; P28-F355 HydrophobicContact CG-CE1 4.04Å; P28-F355 HydrophobicContact CG-CG 3.79Å
29E95.4Very high93.9Very high103 Ų10336.5 Ų36.548%0.48119%0.192SC..SBendtrans-73.9-35.2178.7-170.9168.4-178.300110.9C20 Y22 F27C20-E29 PolarHBondContact O-N 3.05Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.35Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.36Å; F27-E29 PolarHBondContact O-N 3.05Å
30H97.2Very high93.3Very high45 Ų4540.7 Ų40.721%0.20822%0.215CC..EExtended strand (participates in β ladder)trans-129.7139.3172.4-52.7-71000111.3K19 C20 F32 K97K19-H30 WeakPolarHBondContact CA-O 3.27Å; C20-H30 PolarHBondContact N-O 2.95Å; C20-H30 PolarHBondContact O-N 3.04Å; C20-H30 VanDerWaalsContact O-N 3.07Å; H30-F32 HydrophobicContact CB-CD1 4.2Å; H30-F32 HydrophobicContact CB-CE1 4.37Å; H30-K97 HydrophobicContact CB-CD 4.15Å; H30-K97 PolarHBondContact NE2-O 3.01Å
31I96Very high92.5Very high74 Ų7446.6 Ų46.638%0.37925%0.245SC..EExtended strand (participates in β ladder)trans-132.4121.8170.5-56.6168.9000106.1F17 V18 K19 P28F17-I31 HydrophobicContact CB-CG2 4.3Å; F17-I31 HydrophobicContact CD1-CG2 4.26Å; V18-I31 WeakPolarHBondContact O-CA 3.43Å; K19-I31 HydrophobicContact CB-CG1 4.44Å; K19-I31 HydrophobicContact CG-CG1 4.03Å; K19-I31 HydrophobicContact CG-CG2 4.21Å; P28-I31 HydrophobicContact CB-CD1 4.25Å; P28-I31 HydrophobicContact CB-CG1 3.81Å; P28-I31 HydrophobicContact CG-CD1 4.12Å; P28-I31 HydrophobicContact CG-CG1 4.14Å
32F95.6Very high91Very high1 Ų158.2 Ų58.20%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-147.1156.9179.855.9-90.5000110.9F17 V18 H30 D59 L88 Y91 T92 K97F17-F32 CarbonylContact C-O 3.59Å; F17-F32 VanDerWaalsContact CA-O 3.27Å; F17-F32 WeakPolarHBondContact CA-O 3.27Å; V18-F32 HydrophobicContact CB-CD2 4.19Å; V18-F32 HydrophobicContact CB-CE1 4.1Å; V18-F32 HydrophobicContact CB-CE2 3.65Å; V18-F32 HydrophobicContact CB-CZ 3.6Å; V18-F32 HydrophobicContact CG1-CE1 4.06Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.62Å; V18-F32 HydrophobicContact CG2-CD2 4.46Å; V18-F32 HydrophobicContact CG2-CE2 3.79Å; V18-F32 HydrophobicContact CG2-CZ 4.12Å; V18-F32 PolarHBondContact N-O 3.31Å; V18-F32 PolarHBondContact O-N 3.44Å; H30-F32 HydrophobicContact CB-CD1 4.2Å; H30-F32 HydrophobicContact CB-CE1 4.37Å; F32-D59 WeakPolarHBondContact CB-OD1 3.5Å; F32-L88 HydrophobicContact CE2-CD1 3.81Å; F32-Y91 HydrophobicContact CD1-CE1 4.28Å; F32-Y91 AromaticContact CD2-CD1 3.95Å; F32-Y91 HydrophobicContact CD2-CD1 3.95Å; F32-Y91 AromaticContact CD2-CE1 3.59Å; F32-Y91 HydrophobicContact CD2-CE1 3.59Å; F32-Y91 HydrophobicContact CE1-CE1 4.38Å; F32-Y91 AromaticContact CE2-CD1 3.55Å; F32-Y91 HydrophobicContact CE2-CD1 3.55Å; F32-Y91 AromaticContact CE2-CE1 3.7Å; F32-Y91 HydrophobicContact CE2-CE1 3.7Å; F32-Y91 AromaticContact CG-CE1 3.89Å; F32-Y91 HydrophobicContact CG-CE1 3.89Å; F32-Y91 AromaticContact CZ-CD1 3.87Å; F32-Y91 HydrophobicContact CZ-CD1 3.87Å; F32-Y91 HydrophobicContact CZ-CE1 4.1Å; F32-T92 HydrophobicContact CZ-CG2 4.29Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.27Å; F32-K97 HydrophobicContact CD1-CD 4Å; F32-K97 HydrophobicContact CD1-CG 4.36Å; F32-K97 HydrophobicContact CE1-CD 4.16Å; F32-K97 HydrophobicContact CE1-CG 4.03Å
33P94.4Very high89.1Confident13 Ų1358.9 Ų58.98%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-61.5136.6179.5-23.735.1000112.6G16 F17 L35 G58 D59G16-P33 CarbonylContact O-C 3.57Å; G16-P33 WeakPolarHBondContact O-CA 3.49Å; F17-P33 HydrophobicContact CD1-CG 4.38Å; F17-P33 HydrophobicContact CE1-CG 4.06Å; P33-L35 HydrophobicContact CB-CD2 3.39Å; P33-L35 HydrophobicContact CB-CG 3.87Å; P33-L35 HydrophobicContact CG-CD2 4.3Å; P33-L35 PolarHBondContact O-N 2.95Å; P33-G58 WeakPolarHBondContact O-CA 3.41Å; P33-D59 VanDerWaalsContact CD-OD1 3.25Å; P33-D59 WeakPolarHBondContact CD-OD1 3.36Å
34A94.9Very high87.5Confident1 Ų164.1 Ų64.11%0.00833%0.33CS..  trans-81.766.1177.800000111G14 G16 V18 Y72 P73 M74 L88G14-A34 WeakPolarHBondContact O-CB 3.4Å; G16-A34 PolarHBondContact O-N 3.41Å; V18-A34 HydrophobicContact CG2-CB 3.96Å; A34-Y72 WeakPolarHBondContact O-CD1 3.47Å; A34-P73 WeakPolarHBondContact O-CD 3.4Å; A34-M74 HydrophobicContact CB-CE 3.66Å; A34-L88 HydrophobicContact CB-CD2 3.98Å
35L92.9Very high86.2Confident3 Ų364.1 Ų64.12%0.01633%0.326CS..  trans-136.7149.7-17566.989.7000112.6P33 G58 A61 V70 Y72P33-L35 HydrophobicContact CB-CD2 3.39Å; P33-L35 HydrophobicContact CB-CG 3.87Å; P33-L35 HydrophobicContact CG-CD2 4.3Å; P33-L35 PolarHBondContact O-N 2.95Å; L35-G58 PolarHBondContact O-N 2.91Å; L35-G58 VanDerWaalsContact O-N 3.07Å; L35-A61 HydrophobicContact CD1-CB 3.14Å; L35-V70 HydrophobicContact CB-CG1 3.8Å; L35-V70 HydrophobicContact CD1-CG1 3.94Å; L35-V70 HydrophobicContact CD2-CG1 4.46Å; L35-V70 HydrophobicContact CG-CG1 4.3Å; L35-Y72 HydrophobicContact CB-CD1 4.24Å; L35-Y72 HydrophobicContact CB-CE1 3.99Å
36V94.8Very high85.1Confident0 Ų069.5 Ų69.50%035%0.345CS..EExtended strand (participates in β ladder)trans-127.4123177.4178.90000107.7L55 V57 N71 D84V36-L55 HydrophobicContact CG1-CD1 3.41Å; V36-L55 VanDerWaalsContact CG1-CD1 3.41Å; V36-L55 HydrophobicContact CG1-CG 4.11Å; V36-V57 HydrophobicContact CG1-CG2 4.48Å; V36-V57 HydrophobicContact CG2-CG1 4.38Å; V36-V57 HydrophobicContact CG2-CG2 4.36Å; V36-N71 PolarHBondContact N-O 3.25Å; V36-N71 PolarHBondContact O-N 2.97Å; V36-D84 HydrophobicContact CB-CB 4.36Å; V36-D84 HydrophobicContact CG2-CB 4.11Å
37G93.2Very high84.2Confident0 Ų066.6 Ų66.60%033%0.331CS..EExtended strand (participates in β ladder)trans-114.1136.6-178.300000111.9M56 E69G37-M56 PolarHBondContact N-O 3.43Å; G37-M56 PolarHBondContact O-N 2.92Å; G37-E69 WeakPolarHBondContact CA-O 3.21Å
38R92.4Very high83.4Confident79 Ų7964.1 Ų64.130%0.29834%0.34SS..EExtended strand (participates in β ladder)trans-114.4132.4173.3-68.5175.4177.180.92.6109.5I40 L55 L68 E69 N71 D84R38-I40 PolarHBondContact O-N 2.91Å; R38-L55 HydrophobicContact CG-CD1 4.07Å; R38-L68 CarbonylContact O-C 3.51Å; R38-L68 WeakPolarHBondContact O-CA 3.47Å; R38-E69 PolarHBondContact N-O 3.14Å; R38-E69 PolarHBondContact O-N 2.92Å; R38-N71 PolarHBondContact NH1-ND2 3.29Å; R38-D84 IonicContact CZ-OD1 2.93Å; R38-D84 IonicContact NH1-OD1 2.8Å; R38-D84 PolarHBondContact NH1-OD1 3.26Å; R38-D84 IonicContact NH1-OD2 2.63Å; R38-D84 IonicContact NH2-OD1 3.04Å; R38-D84 PolarHBondContact NH2-OD1 3.41Å
39P88.8Confident82.5Confident31 Ų3171.8 Ų71.820%0.20138%0.38CS..EExtended strand (participates in β ladder)trans-60.6131.2-179.2-22.932.9000112.8I41 I52 K53 D54 L68P39-I41 VanDerWaalsContact C-N 3.29Å; P39-I52 HydrophobicContact CB-CG2 3.93Å; P39-I52 HydrophobicContact CG-CG2 3.47Å; P39-I52 VanDerWaalsContact CG-CG2 3.47Å; P39-K53 WeakPolarHBondContact CG-O 3.24Å; P39-D54 WeakPolarHBondContact CD-O 3.33Å; P39-L68 HydrophobicContact CB-CD2 4.18Å; P39-L68 HydrophobicContact CG-CD2 3.91Å
40I84.4Confident81.7Confident116 Ų11668.2 Ų68.260%0.59536%0.364SS*.SBendtrans-68.5-35.2176.8-59.7169.2000110.3R38 M67 E69R38-I40 PolarHBondContact O-N 2.91Å; I40-M67 PolarHBondContact N-O 3.34Å; I40-E69 HydrophobicContact CG1-CB 4.37Å
41I79.4Confident80.9Confident125 Ų12571 Ų7164%0.64138%0.377SS*.SBendtrans-116127.6178.4-57.3173.7000107.7P39 S43P39-I41 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 3.06Å
42R65.6Low80.1Confident244 Ų24468.5 Ų68.592%0.92136%0.364SS*.  trans-76.370.9172.3-64.6-176.5-177179.1-0109.8
43S57.5Low79.6Confident59 Ų5972.6 Ų72.641%0.41338%0.382SS..  trans-122.7125166.355.50000108.7I41 A45I41-S43 PolarHBondContact O-N 3.06Å; S43-A45 PolarHBondContact O-N 3.15Å
44T61.1Low79.2Confident131 Ų13178.9 Ų78.980%0.80442%0.415SS*.  trans-72.968.4169.551.40000108.4
45A63.9Low79Confident40 Ų4081 Ų8133%0.33143%0.426SS..  trans-94.5133.7174.400000108.5S43 I52S43-A45 PolarHBondContact O-N 3.15Å; A45-I52 HydrophobicContact CB-CD1 4.42Å; A45-I52 WeakPolarHBondContact O-CD1 3.33Å; A45-I52 VanDerWaalsContact O-CG1 3.28Å; A45-I52 WeakPolarHBondContact O-CG1 3.46Å
46K68.9Low78.9Confident147 Ų14780.9 Ų80.964%0.63943%0.425SS*.EExtended strand (participates in β ladder)trans-82.4126.5164.8-71.5-170.8175.1-1710108.1E51K46-E51 WeakPolarHBondContact CE-OE2 3.36Å; K46-E51 HydrophobicContact CG-CB 4.32Å; K46-E51 HydrophobicContact CG-CG 4.3Å; K46-E51 IonicContact NZ-OE2 3.36Å; K46-E51 PolarHBondContact NZ-OE2 3.22Å
47V66.8Low78.9Confident51 Ų5181.4 Ų81.431%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-114.5106.8174.2179.40000106.8N49 I50 I52 L64 M67V47-N49 PolarHBondContact O-N 3.3Å; V47-I50 PolarHBondContact N-O 2.98Å; V47-I50 VanDerWaalsContact N-O 3.1Å; V47-I50 PolarHBondContact O-N 3.36Å; V47-I52 HydrophobicContact CG2-CD1 3.94Å; V47-L64 HydrophobicContact CB-CD2 3.89Å; V47-L64 HydrophobicContact CG1-CD2 3.8Å; V47-M67 HydrophobicContact CG1-CE 4.02Å; V47-M67 HydrophobicContact CG2-CE 3.99Å; V47-M67 HydrophobicContact CG2-SD 3.81Å
48G74.3Confident79Confident69 Ų6981.4 Ų81.471%0.71143%0.428SS*.THydrogen-bonded Turntrans62.8-122.2-169.900000111.5
49N75.4Confident78.9Confident176 Ų17680.7 Ų80.794%0.94143%0.431SS*.THydrogen-bonded Turntrans-96.3-3-179.8-70.9-13000113.8V47V47-N49 PolarHBondContact O-N 3.3Å
50I77.7Confident79Confident27 Ų2781 Ų8114%0.13843%0.429CS..EExtended strand (participates in β ladder)trans-101.9127.9-175.3-57.1175.3000109.3V47 M56 E60 E63 L64V47-I50 PolarHBondContact N-O 2.98Å; V47-I50 VanDerWaalsContact N-O 3.1Å; V47-I50 PolarHBondContact O-N 3.36Å; I50-M56 HydrophobicContact CG2-CE 3.39Å; I50-E60 HydrophobicContact CG2-CB 4.5Å; I50-E63 HydrophobicContact CD1-CB 4.27Å; I50-E63 HydrophobicContact CD1-CG 4.25Å; I50-E63 VanDerWaalsContact CD1-OE2 3.27Å; I50-E63 WeakPolarHBondContact CD1-OE2 3.44Å; I50-L64 HydrophobicContact CB-CD1 4.07Å; I50-L64 HydrophobicContact CG2-CD1 3.63Å
51E81.3Confident79.3Confident105 Ų10575.5 Ų75.549%0.49140%0.401SS..EExtended strand (participates in β ladder)trans-87.3123.1170.6-170.9164170.300108.9K46 K53K46-E51 WeakPolarHBondContact CE-OE2 3.36Å; K46-E51 HydrophobicContact CG-CB 4.32Å; K46-E51 HydrophobicContact CG-CG 4.3Å; K46-E51 IonicContact NZ-OE2 3.36Å; K46-E51 PolarHBondContact NZ-OE2 3.22Å; E51-K53 PolarHBondContact O-N 2.87Å
52I79Confident79.7Confident20 Ų2070.9 Ų70.910%0.10338%0.38CS..  trans-69.7105.8179.9-61.9174.2000108.4P39 A45 V47 L64 M67P39-I52 HydrophobicContact CB-CG2 3.93Å; P39-I52 HydrophobicContact CG-CG2 3.47Å; P39-I52 VanDerWaalsContact CG-CG2 3.47Å; A45-I52 HydrophobicContact CB-CD1 4.42Å; A45-I52 WeakPolarHBondContact O-CD1 3.33Å; A45-I52 VanDerWaalsContact O-CG1 3.28Å; A45-I52 WeakPolarHBondContact O-CG1 3.46Å; V47-I52 HydrophobicContact CG2-CD1 3.94Å; I52-L64 HydrophobicContact CG1-CD1 4.01Å; I52-M67 HydrophobicContact CD1-SD 4.26Å
53K84.1Confident80.7Confident88 Ų8866.1 Ų66.138%0.38337%0.368SS..  trans-81.9163.3171.2-54.5165.9-171.7153.10109.3P39 E51 L55 M56 E60 E96P39-K53 WeakPolarHBondContact CG-O 3.24Å; E51-K53 PolarHBondContact O-N 2.87Å; K53-L55 PolarHBondContact O-N 3Å; K53-L55 VanDerWaalsContact O-N 3.1Å; K53-M56 HydrophobicContact CB-SD 3.63Å; K53-M56 HydrophobicContact CD-SD 4.18Å; K53-M56 HydrophobicContact CG-SD 3.98Å; K53-M56 PolarHBondContact N-SD 3.19Å; K53-E60 IonicContact NZ-OE1 3.37Å; K53-E60 PolarHBondContact NZ-OE1 3.45Å; K53-E60 IonicContact NZ-OE2 3.55Å; K53-E60 PolarHBondContact NZ-OE2 2.92Å; K53-E96 IonicContact NZ-OE1 2.63Å; K53-E96 PolarHBondContact NZ-OE1 3.28Å
54D86Confident82Confident145 Ų14563.7 Ų63.778%0.77535%0.351SS*.SBendtrans-59.5-22173.8-69.6-33000113.1P39P39-D54 WeakPolarHBondContact CD-O 3.33Å
55L90.9Very high83.1Confident46 Ų4660.5 Ų60.524%0.24132%0.324CS..SBendtrans-141.5125.1178.7-170.582.2000109.2V36 R38 K53 V57 H87V36-L55 HydrophobicContact CG1-CD1 3.41Å; V36-L55 VanDerWaalsContact CG1-CD1 3.41Å; V36-L55 HydrophobicContact CG1-CG 4.11Å; R38-L55 HydrophobicContact CG-CD1 4.07Å; K53-L55 PolarHBondContact O-N 3Å; K53-L55 VanDerWaalsContact O-N 3.1Å; L55-V57 HydrophobicContact CD2-CG2 4.2Å; L55-V57 HydrophobicContact CG-CG2 4.3Å; L55-H87 HydrophobicContact CD2-CB 3.73Å; L55-H87 WeakPolarHBondContact CD2-ND1 3.29Å
56M92.4Very high84Confident0 Ų063.6 Ų63.60%034%0.343CS..EExtended strand (participates in β ladder)trans-115.6140.8177.2-55.9-61.6-76.900108.2G37 I50 K53 E60 A61 L64 L68G37-M56 PolarHBondContact N-O 3.43Å; G37-M56 PolarHBondContact O-N 2.92Å; I50-M56 HydrophobicContact CG2-CE 3.39Å; K53-M56 HydrophobicContact CB-SD 3.63Å; K53-M56 HydrophobicContact CD-SD 4.18Å; K53-M56 HydrophobicContact CG-SD 3.98Å; K53-M56 PolarHBondContact N-SD 3.19Å; M56-E60 HydrophobicContact CE-CB 3.56Å; M56-E60 WeakPolarHBondContact CE-OE2 3.31Å; M56-A61 HydrophobicContact CB-CB 3.65Å; M56-A61 WeakPolarHBondContact O-CB 3.45Å; M56-L64 HydrophobicContact CE-CD1 4.02Å; M56-L68 HydrophobicContact CB-CD1 3.81Å; M56-L68 HydrophobicContact CG-CD1 4.01Å; M56-L68 HydrophobicContact CG-CD2 4.08Å
57V94.9Very high84.8Confident10 Ų1060.5 Ų60.56%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-134.9146.8-176.9-173.50000110.1V36 L55 D59 L88 Y91V36-V57 HydrophobicContact CG1-CG2 4.48Å; V36-V57 HydrophobicContact CG2-CG1 4.38Å; V36-V57 HydrophobicContact CG2-CG2 4.36Å; L55-V57 HydrophobicContact CD2-CG2 4.2Å; L55-V57 HydrophobicContact CG-CG2 4.3Å; V57-D59 PolarHBondContact O-N 3.47Å; V57-L88 HydrophobicContact CG1-CD1 3.65Å; V57-Y91 HydrophobicContact CB-CD1 4.36Å; V57-Y91 HydrophobicContact CB-CD2 3.9Å; V57-Y91 HydrophobicContact CB-CE2 4.45Å; V57-Y91 HydrophobicContact CB-CG 3.82Å; V57-Y91 HydrophobicContact CG1-CD1 3.83Å; V57-Y91 HydrophobicContact CG1-CD2 4.23Å; V57-Y91 HydrophobicContact CG1-CG 3.64Å; V57-Y91 WeakPolarHBondContact O-CE2 3.16Å
58G93.6Very high85.7Confident0 Ų058.5 Ų58.50%032%0.319CS..THydrogen-bonded Turntrans65.3-126.8172.600000113.7P33 L35 E60 A61 S62P33-G58 WeakPolarHBondContact O-CA 3.41Å; L35-G58 PolarHBondContact O-N 2.91Å; L35-G58 VanDerWaalsContact O-N 3.07Å; G58-E60 PolarHBondContact O-N 3.26Å; G58-A61 PolarHBondContact O-N 2.83Å; G58-S62 PolarHBondContact O-N 3.12Å
59D91.3Very high86.4Confident65 Ų6561.4 Ų61.435%0.34831%0.314SS..Hα-helixtrans-64.6-41.9-172.5-58.8-43.9000111.8F32 P33 V57 A61 S62 E63 Y91 K97F32-D59 WeakPolarHBondContact CB-OD1 3.5Å; P33-D59 VanDerWaalsContact CD-OD1 3.25Å; P33-D59 WeakPolarHBondContact CD-OD1 3.36Å; V57-D59 PolarHBondContact O-N 3.47Å; D59-A61 VanDerWaalsContact C-N 3.3Å; D59-A61 PolarHBondContact O-N 3.01Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 3Å; D59-S62 VanDerWaalsContact O-N 3.08Å; D59-E63 PolarHBondContact O-N 2.84Å; D59-Y91 PolarHBondContact N-OH 3.01Å; D59-K97 IonicContact OD2-NZ 3.9Å; D59-K97 PolarHBondContact OD2-NZ 2.82Å
60E89.9Confident87.1Confident37 Ų3754.4 Ų54.417%0.17328%0.278CS..Hα-helixtrans-61.8-41.4-179.2-39-173.4164.500111.1I50 K53 M56 G58 S62 L64I50-E60 HydrophobicContact CG2-CB 4.5Å; K53-E60 IonicContact NZ-OE1 3.37Å; K53-E60 PolarHBondContact NZ-OE1 3.45Å; K53-E60 IonicContact NZ-OE2 3.55Å; K53-E60 PolarHBondContact NZ-OE2 2.92Å; M56-E60 HydrophobicContact CE-CB 3.56Å; M56-E60 WeakPolarHBondContact CE-OE2 3.31Å; G58-E60 PolarHBondContact O-N 3.26Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-L64 PolarHBondContact O-N 3.09Å; E60-L64 VanDerWaalsContact O-N 3.14Å
61A90.3Very high87.7Confident0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-75.3-25177.700000113L35 M56 G58 D59 R65 L68L35-A61 HydrophobicContact CD1-CB 3.14Å; M56-A61 HydrophobicContact CB-CB 3.65Å; M56-A61 WeakPolarHBondContact O-CB 3.45Å; G58-A61 PolarHBondContact O-N 2.83Å; D59-A61 VanDerWaalsContact C-N 3.3Å; D59-A61 PolarHBondContact O-N 3.01Å; A61-R65 WeakPolarHBondContact O-CA 3.43Å; A61-R65 PolarHBondContact O-N 2.86Å; A61-L68 HydrophobicContact CB-CD1 3.9Å
62S88.3Confident88.3Confident29 Ų2953.7 Ų53.720%0.20327%0.274CS..Hα-helixtrans-73-40.7172.9-166.40000111.4G58 D59 E60 R65G58-S62 PolarHBondContact O-N 3.12Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 3Å; D59-S62 VanDerWaalsContact O-N 3.08Å; E60-S62 VanDerWaalsContact C-N 3.35Å; S62-R65 WeakPolarHBondContact O-CB 3.28Å; S62-R65 PolarHBondContact O-N 3.26Å
63E86.4Confident89Confident144 Ų14452.8 Ų52.867%0.67327%0.269SS*.Hα-helixtrans-67.3-40.8179.1-170.8169.5171.700111.7I50 D59I50-E63 HydrophobicContact CD1-CB 4.27Å; I50-E63 HydrophobicContact CD1-CG 4.25Å; I50-E63 VanDerWaalsContact CD1-OE2 3.27Å; I50-E63 WeakPolarHBondContact CD1-OE2 3.44Å; D59-E63 PolarHBondContact O-N 2.84Å
64L85.9Confident89.3Confident8 Ų848.7 Ų48.74%0.04225%0.252CS..THydrogen-bonded Turntrans-95.718.8179.7-61.7176.5000113.8V47 I50 I52 M56 E60 S66 M67 L68V47-L64 HydrophobicContact CB-CD2 3.89Å; V47-L64 HydrophobicContact CG1-CD2 3.8Å; I50-L64 HydrophobicContact CB-CD1 4.07Å; I50-L64 HydrophobicContact CG2-CD1 3.63Å; I52-L64 HydrophobicContact CG1-CD1 4.01Å; M56-L64 HydrophobicContact CE-CD1 4.02Å; E60-L64 PolarHBondContact O-N 3.09Å; E60-L64 VanDerWaalsContact O-N 3.14Å; L64-S66 PolarHBondContact O-N 2.67Å; L64-M67 PolarHBondContact O-N 2.81Å; L64-L68 HydrophobicContact CB-CD1 4Å; L64-L68 HydrophobicContact CB-CG 4.34Å; L64-L68 WeakPolarHBondContact O-CG 3.24Å; L64-L68 PolarHBondContact O-N 2.87Å
65R83.9Confident89.5Confident64 Ų6446.5 Ų46.524%0.24224%0.237CC..G310 helixtrans-50.3-35.1-173.9-177.9-179.5-169.393.5-0.8114.2A61 S62 M67 L68 V70 Y72A61-R65 WeakPolarHBondContact O-CA 3.43Å; A61-R65 PolarHBondContact O-N 2.86Å; S62-R65 WeakPolarHBondContact O-CB 3.28Å; S62-R65 PolarHBondContact O-N 3.26Å; R65-M67 PolarHBondContact O-N 3.01Å; R65-L68 PolarHBondContact O-N 2.99Å; R65-L68 VanDerWaalsContact O-O 3.14Å; R65-V70 HydrophobicContact CG-CG2 4.03Å; R65-Y72 PolarHBondContact NH1-OH 3.25Å; R65-Y72 PolarHBondContact NH2-OH 2.97Å
66S82.7Confident89.3Confident105 Ų10546.3 Ų46.373%0.73424%0.236SC*.G310 helixtrans-67.9-19.3-179.456.30000114.1L64L64-S66 PolarHBondContact O-N 2.67Å
67M84.5Confident88.9Confident82 Ų8247 Ų4740%0.40424%0.242SC..G310 helixtrans-104.7-3.6-178.6-57.1-176.5-174.500112.9I40 V47 I52 L64 R65I40-M67 PolarHBondContact N-O 3.34Å; V47-M67 HydrophobicContact CG1-CE 4.02Å; V47-M67 HydrophobicContact CG2-CE 3.99Å; V47-M67 HydrophobicContact CG2-SD 3.81Å; I52-M67 HydrophobicContact CD1-SD 4.26Å; L64-M67 PolarHBondContact O-N 2.81Å; R65-M67 PolarHBondContact O-N 3.01Å
68L87.1Confident88.7Confident9 Ų947.6 Ų47.65%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-118.2141.7-172-57.3174.5000110.6R38 P39 M56 A61 L64 R65 V70R38-L68 CarbonylContact O-C 3.51Å; R38-L68 WeakPolarHBondContact O-CA 3.47Å; P39-L68 HydrophobicContact CB-CD2 4.18Å; P39-L68 HydrophobicContact CG-CD2 3.91Å; M56-L68 HydrophobicContact CB-CD1 3.81Å; M56-L68 HydrophobicContact CG-CD1 4.01Å; M56-L68 HydrophobicContact CG-CD2 4.08Å; A61-L68 HydrophobicContact CB-CD1 3.9Å; L64-L68 HydrophobicContact CB-CD1 4Å; L64-L68 HydrophobicContact CB-CG 4.34Å; L64-L68 WeakPolarHBondContact O-CG 3.24Å; L64-L68 PolarHBondContact O-N 2.87Å; R65-L68 PolarHBondContact O-N 2.99Å; R65-L68 VanDerWaalsContact O-O 3.14Å; L68-V70 HydrophobicContact CB-CG2 3.93Å; L68-V70 PolarHBondContact O-N 3.31Å
69E89.1Confident88.7Confident129 Ų12948.4 Ų48.460%0.60325%0.25SC*.EExtended strand (participates in β ladder)trans-78.2106.5159.4-172.3175.6-16700108G37 R38 I40G37-E69 WeakPolarHBondContact CA-O 3.21Å; R38-E69 PolarHBondContact N-O 3.14Å; R38-E69 PolarHBondContact O-N 2.92Å; I40-E69 HydrophobicContact CG1-CB 4.37Å
70V89.2Confident88.7Confident30 Ų3052.6 Ų52.618%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-98.5124.5-172.51790000111.8L35 R65 L68 Y72L35-V70 HydrophobicContact CB-CG1 3.8Å; L35-V70 HydrophobicContact CD1-CG1 3.94Å; L35-V70 HydrophobicContact CD2-CG1 4.46Å; L35-V70 HydrophobicContact CG-CG1 4.3Å; R65-V70 HydrophobicContact CG-CG2 4.03Å; L68-V70 HydrophobicContact CB-CG2 3.93Å; L68-V70 PolarHBondContact O-N 3.31Å; V70-Y72 HydrophobicContact CG1-CE2 4.36Å
71N91.8Very high89Confident59 Ų5953.5 Ų53.532%0.31627%0.267SS..EExtended strand (participates in β ladder)trans-109.5147.2174.1-67.2-21.9000111.3V36 R38 D84V36-N71 PolarHBondContact N-O 3.25Å; V36-N71 PolarHBondContact O-N 2.97Å; R38-N71 PolarHBondContact NH1-ND2 3.29Å; N71-D84 WeakPolarHBondContact CB-OD2 3.21Å
72Y91.9Very high89.2Confident58 Ų5856.1 Ų56.123%0.22728%0.277CS..  trans-107.2116.3169.4-66-91.8000108A34 L35 R65 V70 M74A34-Y72 WeakPolarHBondContact O-CD1 3.47Å; L35-Y72 HydrophobicContact CB-CD1 4.24Å; L35-Y72 HydrophobicContact CB-CE1 3.99Å; R65-Y72 PolarHBondContact NH1-OH 3.25Å; R65-Y72 PolarHBondContact NH2-OH 2.97Å; V70-Y72 HydrophobicContact CG1-CE2 4.36Å; Y72-M74 PolarHBondContact O-N 2.94Å
73P93.7Very high89.6Confident0 Ų059 Ų590%029%0.29CS..SBendtrans-67.4-21-179.725-32.1000112.6A34 R80 N81 D84 M85 L88A34-P73 WeakPolarHBondContact O-CD 3.4Å; P73-R80 PolarHBondContact O-N 3.23Å; P73-N81 PolarHBondContact O-N 3.31Å; P73-D84 HydrophobicContact CB-CB 3.82Å; P73-M85 HydrophobicContact CB-CB 4.11Å; P73-M85 HydrophobicContact CB-SD 4.1Å; P73-M85 HydrophobicContact CG-SD 4.1Å; P73-L88 HydrophobicContact CG-CD2 3.85Å
74M91.8Very high90Very high3 Ų352.2 Ų52.22%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-113.4136.7-180-66.4-178.8-74.500111.1N13 G14 A34 Y72 I78 V79 M85 L88N13-M74 HydrophobicContact CB-CE 4.14Å; N13-M74 HydrophobicContact CB-SD 3.81Å; N13-M74 VanDerWaalsContact O-SD 3.38Å; G14-M74 WeakPolarHBondContact O-CE 3.3Å; A34-M74 HydrophobicContact CB-CE 3.66Å; Y72-M74 PolarHBondContact O-N 2.94Å; M74-I78 WeakPolarHBondContact CA-O 3.26Å; M74-V79 HydrophobicContact CG-CG2 4.15Å; M74-M85 HydrophobicContact CE-CE 4.36Å; M74-M85 HydrophobicContact CE-SD 4.42Å; M74-M85 HydrophobicContact CG-SD 4.03Å; M74-M85 HydrophobicContact SD-CE 4.25Å; M74-M85 HydrophobicContact SD-SD 4.24Å; M74-L88 HydrophobicContact CE-CD2 4.2Å
75E89.1Confident90.5Very high99 Ų9951.9 Ų51.946%0.46326%0.257SS..EExtended strand (participates in β ladder)trans-129123.7173.9-172.9-172.5-15600108.3G77 I78 R80E75-G77 PolarHBondContact O-N 3.21Å; E75-G77 VanDerWaalsContact O-N 3.13Å; E75-I78 PolarHBondContact N-O 2.85Å; E75-I78 PolarHBondContact O-N 3.3Å; E75-R80 HydrophobicContact CB-CG 3.71Å; E75-R80 IonicContact OE2-CZ 2.76Å; E75-R80 IonicContact OE2-NE 2.64Å; E75-R80 PolarHBondContact OE2-NE 3.01Å; E75-R80 VanDerWaalsContact OE2-NE 3.1Å; E75-R80 IonicContact OE2-NH2 3.66Å
76N86.8Confident91.1Very high42 Ų4252 Ų5223%0.22526%0.259CS..THydrogen-bonded Turntrans49.840.3179.7-53.9-13.6000113.6I78 G162 V163 R181N76-I78 VanDerWaalsContact C-N 3.3Å; N76-I78 PolarHBondContact O-N 2.92Å; N76-G162 PolarHBondContact OD1-O 3.45Å; N76-G162 VanDerWaalsContact OD1-O 3.05Å; N76-V163 HydrophobicContact CB-CB 4.27Å; N76-R181 PolarHBondContact ND2-NH2 3.45Å
77G85.2Confident91.8Very high13 Ų1350 Ų5013%0.13424%0.238CC..THydrogen-bonded Turntrans86.1-10.617900000114.6T15 E75 P112T15-G77 WeakPolarHBondContact OG1-CA 3.31Å; T15-G77 PolarHBondContact OG1-N 3.13Å; E75-G77 PolarHBondContact O-N 3.21Å; E75-G77 VanDerWaalsContact O-N 3.13Å; G77-P112 WeakPolarHBondContact O-CG 3.33Å
78I90.3Very high92.4Very high23 Ų2346.1 Ų46.112%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-103133.5-175.1-65.4171.1000110M74 E75 N76 R80 N119M74-I78 WeakPolarHBondContact CA-O 3.26Å; E75-I78 PolarHBondContact N-O 2.85Å; E75-I78 PolarHBondContact O-N 3.3Å; N76-I78 VanDerWaalsContact C-N 3.3Å; N76-I78 PolarHBondContact O-N 2.92Å; I78-R80 PolarHBondContact O-N 3.26Å; I78-N119 WeakPolarHBondContact CG2-ND2 3.27Å
79V93.1Very high92.8Very high17 Ų1745.8 Ų45.810%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-68123.9173.4-173.30000109.4M74 W82 M85M74-V79 HydrophobicContact CG-CG2 4.15Å; V79-W82 HydrophobicContact CB-CH2 4.13Å; V79-W82 HydrophobicContact CB-CZ2 4.11Å; V79-W82 HydrophobicContact CB-CZ3 4.42Å; V79-W82 HydrophobicContact CG1-CD2 3.89Å; V79-W82 HydrophobicContact CG1-CE3 3.96Å; V79-W82 HydrophobicContact CG1-CG 4.4Å; V79-W82 HydrophobicContact CG1-CH2 4.31Å; V79-W82 HydrophobicContact CG1-CZ2 4.25Å; V79-W82 HydrophobicContact CG1-CZ3 4.18Å; V79-W82 HydrophobicContact CG2-CH2 4.32Å; V79-W82 HydrophobicContact CG2-CZ3 4.46Å; V79-M85 HydrophobicContact CG1-CB 3.85Å; V79-M85 HydrophobicContact CG1-CG 3.97Å; V79-M85 HydrophobicContact CG1-SD 4.43Å; V79-M85 HydrophobicContact CG2-CG 4.3Å; V79-M85 HydrophobicContact CG2-SD 4.23Å
80R92.6Very high93.2Very high153 Ų15343.3 Ų43.358%0.57721%0.208SC*.  trans-105.7-38.5177-64.2-59.1-163.8-168.8-1.1112.2P73 E75 I78P73-R80 PolarHBondContact O-N 3.23Å; E75-R80 HydrophobicContact CB-CG 3.71Å; E75-R80 IonicContact OE2-CZ 2.76Å; E75-R80 IonicContact OE2-NE 2.64Å; E75-R80 PolarHBondContact OE2-NE 3.01Å; E75-R80 VanDerWaalsContact OE2-NE 3.1Å; E75-R80 IonicContact OE2-NH2 3.66Å; I78-R80 PolarHBondContact O-N 3.26Å
81N95.2Very high93.5Very high57 Ų5742.7 Ų42.731%0.30520%0.202SC..  trans-118.4106178.9-172.9-12.3000110.5P73 D83 D84 M85P73-N81 PolarHBondContact O-N 3.31Å; N81-D83 VanDerWaalsContact C-N 3.35Å; N81-D83 PolarHBondContact OD1-N 2.98Å; N81-D84 HydrophobicContact CB-CB 4.17Å; N81-D84 PolarHBondContact ND2-OD2 2.92Å; N81-D84 PolarHBondContact OD1-N 3.29Å; N81-M85 WeakPolarHBondContact O-CB 3.33Å; N81-M85 PolarHBondContact O-N 3.28Å
82W94.9Very high93.8Very high54 Ų5439.9 Ų39.921%0.20519%0.187CC..Hα-helixtrans-72.4-26-179.3-68.599.5000113.6V79 M85 K86 W89 N119 K122 I123V79-W82 HydrophobicContact CB-CH2 4.13Å; V79-W82 HydrophobicContact CB-CZ2 4.11Å; V79-W82 HydrophobicContact CB-CZ3 4.42Å; V79-W82 HydrophobicContact CG1-CD2 3.89Å; V79-W82 HydrophobicContact CG1-CE3 3.96Å; V79-W82 HydrophobicContact CG1-CG 4.4Å; V79-W82 HydrophobicContact CG1-CH2 4.31Å; V79-W82 HydrophobicContact CG1-CZ2 4.25Å; V79-W82 HydrophobicContact CG1-CZ3 4.18Å; V79-W82 HydrophobicContact CG2-CH2 4.32Å; V79-W82 HydrophobicContact CG2-CZ3 4.46Å; W82-M85 PolarHBondContact O-N 3.09Å; W82-K86 WeakPolarHBondContact O-CE 3.26Å; W82-K86 WeakPolarHBondContact O-CG 3.32Å; W82-K86 PolarHBondContact O-N 3.29Å; W82-W89 HydrophobicContact CZ3-CH2 4.11Å; W82-W89 HydrophobicContact CZ3-CZ3 4.49Å; W82-N119 HydrophobicContact CH2-CB 4.33Å; W82-N119 WeakPolarHBondContact CH2-O 3.42Å; W82-N119 HydrophobicContact CZ2-CB 4.1Å; W82-K122 HydrophobicContact CD2-CG 3.67Å; W82-K122 HydrophobicContact CE3-CG 3.73Å; W82-K122 HydrophobicContact CG-CG 4.37Å; W82-K122 HydrophobicContact CH2-CB 3.7Å; W82-K122 HydrophobicContact CH2-CG 3.84Å; W82-K122 HydrophobicContact CZ2-CB 3.71Å; W82-K122 HydrophobicContact CZ2-CG 3.76Å; W82-K122 HydrophobicContact CZ3-CB 4.1Å; W82-K122 HydrophobicContact CZ3-CG 3.8Å; W82-I123 HydrophobicContact CH2-CG1 3.82Å; W82-I123 HydrophobicContact CZ3-CG1 3.9Å
83D95.8Very high94Very high91 Ų9137.6 Ų37.649%0.48718%0.179SC..Hα-helixtrans-72.2-46.8177.4-68.2-38.8000110.7N81 M85 K86 H87N81-D83 VanDerWaalsContact C-N 3.35Å; N81-D83 PolarHBondContact OD1-N 2.98Å; D83-M85 VanDerWaalsContact C-N 3.27Å; D83-M85 PolarHBondContact O-N 3.24Å; D83-K86 PolarHBondContact O-N 3.18Å; D83-K86 VanDerWaalsContact OD1-CE 3.25Å; D83-K86 WeakPolarHBondContact OD1-CE 3.17Å; D83-K86 IonicContact OD1-NZ 3.28Å; D83-K86 PolarHBondContact OD1-NZ 2.87Å; D83-H87 PolarHBondContact O-CD2 3.29Å; D83-H87 VanDerWaalsContact O-CD2 3.25Å; D83-H87 PolarHBondContact O-N 2.88Å
84D96.1Very high94.1Very high1 Ų138.3 Ų38.31%0.00519%0.186CC..Hα-helixtrans-64.1-33.8172.4-73.7-18.8000111.6V36 R38 N71 P73 N81 H87 L88V36-D84 HydrophobicContact CB-CB 4.36Å; V36-D84 HydrophobicContact CG2-CB 4.11Å; R38-D84 IonicContact CZ-OD1 2.93Å; R38-D84 IonicContact NH1-OD1 2.8Å; R38-D84 PolarHBondContact NH1-OD1 3.26Å; R38-D84 IonicContact NH1-OD2 2.63Å; R38-D84 IonicContact NH2-OD1 3.04Å; R38-D84 PolarHBondContact NH2-OD1 3.41Å; N71-D84 WeakPolarHBondContact CB-OD2 3.21Å; P73-D84 HydrophobicContact CB-CB 3.82Å; N81-D84 HydrophobicContact CB-CB 4.17Å; N81-D84 PolarHBondContact ND2-OD2 2.92Å; N81-D84 PolarHBondContact OD1-N 3.29Å; D84-H87 PolarHBondContact O-N 3.01Å; D84-L88 PolarHBondContact O-N 2.98Å
85M96.3Very high94.2Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-66.3-38.9176.4-165.268.1-158.400112.5N13 P73 M74 V79 N81 W82 D83 L88 W89N13-M85 HydrophobicContact CB-CE 4.01Å; P73-M85 HydrophobicContact CB-CB 4.11Å; P73-M85 HydrophobicContact CB-SD 4.1Å; P73-M85 HydrophobicContact CG-SD 4.1Å; M74-M85 HydrophobicContact CE-CE 4.36Å; M74-M85 HydrophobicContact CE-SD 4.42Å; M74-M85 HydrophobicContact CG-SD 4.03Å; M74-M85 HydrophobicContact SD-CE 4.25Å; M74-M85 HydrophobicContact SD-SD 4.24Å; V79-M85 HydrophobicContact CG1-CB 3.85Å; V79-M85 HydrophobicContact CG1-CG 3.97Å; V79-M85 HydrophobicContact CG1-SD 4.43Å; V79-M85 HydrophobicContact CG2-CG 4.3Å; V79-M85 HydrophobicContact CG2-SD 4.23Å; N81-M85 WeakPolarHBondContact O-CB 3.33Å; N81-M85 PolarHBondContact O-N 3.28Å; W82-M85 PolarHBondContact O-N 3.09Å; D83-M85 VanDerWaalsContact C-N 3.27Å; D83-M85 PolarHBondContact O-N 3.24Å; M85-L88 HydrophobicContact CE-CD2 4.15Å; M85-L88 WeakPolarHBondContact O-CB 3.44Å; M85-L88 PolarHBondContact O-N 3.37Å; M85-L88 HydrophobicContact SD-CD2 4.08Å; M85-W89 HydrophobicContact CE-CD2 4.15Å; M85-W89 HydrophobicContact CE-CH2 4.38Å; M85-W89 HydrophobicContact CE-CZ2 3.53Å; M85-W89 VanDerWaalsContact CE-NE1 3.32Å; M85-W89 HydrophobicContact CG-CD2 4.15Å; M85-W89 HydrophobicContact CG-CE3 4.03Å; M85-W89 HydrophobicContact CG-CH2 3.74Å; M85-W89 HydrophobicContact CG-CZ2 3.84Å; M85-W89 HydrophobicContact CG-CZ3 3.82Å; M85-W89 PolarHBondContact O-N 3.15Å
86K96.5Very high94.4Very high67 Ų6743.1 Ų43.129%0.29122%0.218SC..Hα-helixtrans-61.3-46.1173.5-77.1177.1-64.6179.80111W82 D83 L88 W89 D90 V126 Y131W82-K86 WeakPolarHBondContact O-CE 3.26Å; W82-K86 WeakPolarHBondContact O-CG 3.32Å; W82-K86 PolarHBondContact O-N 3.29Å; D83-K86 PolarHBondContact O-N 3.18Å; D83-K86 VanDerWaalsContact OD1-CE 3.25Å; D83-K86 WeakPolarHBondContact OD1-CE 3.17Å; D83-K86 IonicContact OD1-NZ 3.28Å; D83-K86 PolarHBondContact OD1-NZ 2.87Å; K86-L88 VanDerWaalsContact C-N 3.26Å; K86-L88 PolarHBondContact O-N 2.97Å; K86-W89 CarbonylContact O-C 3.51Å; K86-W89 PolarHBondContact O-N 3.26Å; K86-D90 PolarHBondContact O-N 3.45Å; K86-V126 HydrophobicContact CG-CG1 4.26Å; K86-Y131 PolarHBondContact O-OH 2.83Å
87H96.4Very high94.7Very high64 Ų6442.6 Ų42.630%0.29621%0.214SC..Hα-helixtrans-59.8-37.6175.4-68.7-46.6000113.1L55 D83 D84 D90 Y91L55-H87 HydrophobicContact CD2-CB 3.73Å; L55-H87 WeakPolarHBondContact CD2-ND1 3.29Å; D83-H87 PolarHBondContact O-CD2 3.29Å; D83-H87 VanDerWaalsContact O-CD2 3.25Å; D83-H87 PolarHBondContact O-N 2.88Å; D84-H87 PolarHBondContact O-N 3.01Å; H87-D90 IonicContact ND1-OD2 2.97Å; H87-D90 PolarHBondContact O-N 2.73Å; H87-Y91 WeakPolarHBondContact O-CB 3.17Å; H87-Y91 PolarHBondContact O-N 2.8Å
88L96.7Very high95.2Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-63.9-40173.9-171.263.9000112V18 F32 A34 V57 P73 M74 D84 M85 K86 T92V18-L88 HydrophobicContact CG2-CD1 4.2Å; V18-L88 HydrophobicContact CG2-CD2 3.76Å; V18-L88 HydrophobicContact CG2-CG 4.08Å; F32-L88 HydrophobicContact CE2-CD1 3.81Å; A34-L88 HydrophobicContact CB-CD2 3.98Å; V57-L88 HydrophobicContact CG1-CD1 3.65Å; P73-L88 HydrophobicContact CG-CD2 3.85Å; M74-L88 HydrophobicContact CE-CD2 4.2Å; D84-L88 PolarHBondContact O-N 2.98Å; M85-L88 HydrophobicContact CE-CD2 4.15Å; M85-L88 WeakPolarHBondContact O-CB 3.44Å; M85-L88 PolarHBondContact O-N 3.37Å; M85-L88 HydrophobicContact SD-CD2 4.08Å; K86-L88 VanDerWaalsContact C-N 3.26Å; K86-L88 PolarHBondContact O-N 2.97Å; L88-T92 WeakPolarHBondContact O-CB 3.29Å; L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 3Å
89W97.1Very high95.5Very high1 Ų146.5 Ų46.50%0.00423%0.232CC..Hα-helixtrans-71-37.5174.6-75.1-35.1000113.4N13 W82 M85 K86 Y91 T92 F93 I123 V126 M127 Y131N13-W89 PolarHBondContact OD1-NE1 3.24Å; W82-W89 HydrophobicContact CZ3-CH2 4.11Å; W82-W89 HydrophobicContact CZ3-CZ3 4.49Å; M85-W89 HydrophobicContact CE-CD2 4.15Å; M85-W89 HydrophobicContact CE-CH2 4.38Å; M85-W89 HydrophobicContact CE-CZ2 3.53Å; M85-W89 VanDerWaalsContact CE-NE1 3.32Å; M85-W89 HydrophobicContact CG-CD2 4.15Å; M85-W89 HydrophobicContact CG-CE3 4.03Å; M85-W89 HydrophobicContact CG-CH2 3.74Å; M85-W89 HydrophobicContact CG-CZ2 3.84Å; M85-W89 HydrophobicContact CG-CZ3 3.82Å; M85-W89 PolarHBondContact O-N 3.15Å; K86-W89 CarbonylContact O-C 3.51Å; K86-W89 PolarHBondContact O-N 3.26Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.76Å; W89-T92 WeakPolarHBondContact O-CB 3.42Å; W89-T92 PolarHBondContact O-N 2.71Å; W89-F93 HydrophobicContact CB-CD2 4.2Å; W89-F93 HydrophobicContact CB-CE2 3.78Å; W89-F93 HydrophobicContact CB-CZ 4.45Å; W89-F93 HydrophobicContact CG-CE2 4.1Å; W89-F93 HydrophobicContact CG-CZ 4.39Å; W89-F93 VanDerWaalsContact O-CD2 3.24Å; W89-F93 WeakPolarHBondContact O-CD2 3.36Å; W89-F93 WeakPolarHBondContact O-CG 3.31Å; W89-F93 PolarHBondContact O-N 3.18Å; W89-I123 HydrophobicContact CH2-CG1 4.23Å; W89-V126 HydrophobicContact CE3-CG1 3.91Å; W89-V126 HydrophobicContact CZ3-CB 4.23Å; W89-V126 HydrophobicContact CZ3-CG1 3.67Å; W89-M127 HydrophobicContact CD2-CE 3.48Å; W89-M127 VanDerWaalsContact CD2-CE 3.48Å; W89-M127 HydrophobicContact CE3-CE 3.72Å; W89-M127 HydrophobicContact CG-CE 4.11Å; W89-M127 HydrophobicContact CH2-CE 3.75Å; W89-M127 HydrophobicContact CZ2-CE 3.51Å; W89-M127 HydrophobicContact CZ3-CE 3.86Å; W89-Y131 HydrophobicContact CB-CE2 3.98Å; W89-Y131 WeakPolarHBondContact CB-OH 3.3Å; W89-Y131 HydrophobicContact CE3-CE2 4.04Å
90D96.6Very high95.5Very high77 Ų7746.7 Ų46.741%0.41223%0.232SC..Hα-helixtrans-58.5-44173.1-64.3-23.6000110.5K86 H87 G94 Y131K86-D90 PolarHBondContact O-N 3.45Å; H87-D90 IonicContact ND1-OD2 2.97Å; H87-D90 PolarHBondContact O-N 2.73Å; D90-G94 VanDerWaalsContact O-CA 3.23Å; D90-G94 WeakPolarHBondContact O-CA 3.21Å; D90-G94 PolarHBondContact O-N 2.86Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.35Å; D90-Y131 VanDerWaalsContact OD1-CZ 3.3Å; D90-Y131 PolarHBondContact OD1-OH 3.28Å
91Y96.4Very high95.6Very high18 Ų1845.2 Ų45.27%0.07123%0.232CC..Hα-helixtrans-64-39.7173-179.4-102.9000112.4F32 V57 D59 H87 W89 E96 K97F32-Y91 HydrophobicContact CD1-CE1 4.28Å; F32-Y91 AromaticContact CD2-CD1 3.95Å; F32-Y91 HydrophobicContact CD2-CD1 3.95Å; F32-Y91 AromaticContact CD2-CE1 3.59Å; F32-Y91 HydrophobicContact CD2-CE1 3.59Å; F32-Y91 HydrophobicContact CE1-CE1 4.38Å; F32-Y91 AromaticContact CE2-CD1 3.55Å; F32-Y91 HydrophobicContact CE2-CD1 3.55Å; F32-Y91 AromaticContact CE2-CE1 3.7Å; F32-Y91 HydrophobicContact CE2-CE1 3.7Å; F32-Y91 AromaticContact CG-CE1 3.89Å; F32-Y91 HydrophobicContact CG-CE1 3.89Å; F32-Y91 AromaticContact CZ-CD1 3.87Å; F32-Y91 HydrophobicContact CZ-CD1 3.87Å; F32-Y91 HydrophobicContact CZ-CE1 4.1Å; V57-Y91 HydrophobicContact CB-CD1 4.36Å; V57-Y91 HydrophobicContact CB-CD2 3.9Å; V57-Y91 HydrophobicContact CB-CE2 4.45Å; V57-Y91 HydrophobicContact CB-CG 3.82Å; V57-Y91 HydrophobicContact CG1-CD1 3.83Å; V57-Y91 HydrophobicContact CG1-CD2 4.23Å; V57-Y91 HydrophobicContact CG1-CG 3.64Å; V57-Y91 WeakPolarHBondContact O-CE2 3.16Å; D59-Y91 PolarHBondContact N-OH 3.01Å; H87-Y91 WeakPolarHBondContact O-CB 3.17Å; H87-Y91 PolarHBondContact O-N 2.8Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.76Å; Y91-E96 WeakPolarHBondContact CD2-OE2 3.39Å; Y91-E96 HydrophobicContact CE2-CB 4.22Å; Y91-E96 WeakPolarHBondContact CE2-OE2 3.36Å; Y91-K97 HydrophobicContact CD1-CG 4.05Å; Y91-K97 HydrophobicContact CE1-CD 4.12Å; Y91-K97 HydrophobicContact CE1-CG 3.82Å; Y91-K97 WeakPolarHBondContact O-CB 3.4Å; Y91-K97 WeakPolarHBondContact O-CG 3.47Å; Y91-K97 WeakPolarHBondContact OH-CE 3.43Å; Y91-K97 PolarHBondContact OH-NZ 2.93Å
92T96.8Very high95.5Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-65.2-46-179.9-53.90000112.3V18 C20 F32 L88 W89 K97 L98V18-T92 HydrophobicContact CG1-CG2 4.47Å; C20-T92 HydrophobicContact CB-CG2 3.94Å; F32-T92 HydrophobicContact CZ-CG2 4.29Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.27Å; L88-T92 WeakPolarHBondContact O-CB 3.29Å; L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 3Å; W89-T92 WeakPolarHBondContact O-CB 3.42Å; W89-T92 PolarHBondContact O-N 2.71Å; T92-K97 WeakPolarHBondContact O-CB 3.37Å; T92-L98 HydrophobicContact CG2-CD1 4.26Å; T92-L98 WeakPolarHBondContact O-CB 3.13Å; T92-L98 WeakPolarHBondContact O-CG 3.45Å; T92-L98 PolarHBondContact O-N 3.06Å
93F96.8Very high95.4Very high9 Ų947.4 Ų47.44%0.03924%0.239CC..Hα-helixtrans-89.7-21.2-175.8-53.4-38.5000112.9W89 L98 N99 I100 I107 M127 Y131 F133W89-F93 HydrophobicContact CB-CD2 4.2Å; W89-F93 HydrophobicContact CB-CE2 3.78Å; W89-F93 HydrophobicContact CB-CZ 4.45Å; W89-F93 HydrophobicContact CG-CE2 4.1Å; W89-F93 HydrophobicContact CG-CZ 4.39Å; W89-F93 VanDerWaalsContact O-CD2 3.24Å; W89-F93 WeakPolarHBondContact O-CD2 3.36Å; W89-F93 WeakPolarHBondContact O-CG 3.31Å; W89-F93 PolarHBondContact O-N 3.18Å; F93-L98 HydrophobicContact CD1-CD1 4.25Å; F93-N99 PolarHBondContact O-N 2.88Å; F93-I100 HydrophobicContact CB-CD1 4.26Å; F93-I100 HydrophobicContact CB-CG1 4.01Å; F93-I100 HydrophobicContact CD1-CD1 3.88Å; F93-I100 HydrophobicContact CG-CD1 4.34Å; F93-I100 PolarHBondContact O-N 3.48Å; F93-I107 HydrophobicContact CE1-CD1 3.51Å; F93-I107 HydrophobicContact CE2-CD1 4.47Å; F93-I107 HydrophobicContact CZ-CD1 3.36Å; F93-M127 HydrophobicContact CE2-CE 4.49Å; F93-M127 HydrophobicContact CE2-SD 4.46Å; F93-Y131 AromaticContact CD2-CD1 3.87Å; F93-Y131 HydrophobicContact CD2-CD1 3.87Å; F93-Y131 AromaticContact CD2-CE1 3.92Å; F93-Y131 HydrophobicContact CD2-CE1 3.92Å; F93-Y131 HydrophobicContact CD2-CG 4.33Å; F93-Y131 HydrophobicContact CE2-CD1 4.25Å; F93-Y131 HydrophobicContact CE2-CD2 4.36Å; F93-Y131 HydrophobicContact CE2-CE1 4.35Å; F93-Y131 HydrophobicContact CE2-CE2 4.44Å; F93-Y131 HydrophobicContact CE2-CG 4.28Å; F93-F133 HydrophobicContact CD1-CZ 4.25Å; F93-F133 HydrophobicContact CD2-CE2 4.24Å; F93-F133 HydrophobicContact CD2-CZ 4.04Å; F93-F133 HydrophobicContact CE1-CZ 4.03Å; F93-F133 AromaticContact CE2-CE2 3.75Å; F93-F133 HydrophobicContact CE2-CE2 3.75Å; F93-F133 AromaticContact CE2-CZ 3.79Å; F93-F133 HydrophobicContact CE2-CZ 3.79Å; F93-F133 HydrophobicContact CG-CZ 4.27Å; F93-F133 HydrophobicContact CZ-CE2 4.01Å; F93-F133 AromaticContact CZ-CZ 3.8Å; F93-F133 HydrophobicContact CZ-CZ 3.8Å
94G95.5Very high95.3Very high16 Ų1647.4 Ų47.417%0.16524%0.239CC..SBendtrans-71.6-178-177.100000114.7D90 E96 K97 N99D90-G94 VanDerWaalsContact O-CA 3.23Å; D90-G94 WeakPolarHBondContact O-CA 3.21Å; D90-G94 PolarHBondContact O-N 2.86Å; G94-E96 VanDerWaalsContact C-N 3.26Å; G94-E96 PolarHBondContact O-N 3.4Å; G94-K97 PolarHBondContact O-N 2.94Å; G94-N99 WeakPolarHBondContact O-CA 3.41Å; G94-N99 PolarHBondContact O-N 2.8Å
95P94.1Very high95.3Very high109 Ų10947.6 Ų47.671%0.70824%0.24SC*.THydrogen-bonded Turntrans-62.6-27.4-169.7-2535.2000115.2K97P95-K97 VanDerWaalsContact C-N 3.31Å; P95-K97 PolarHBondContact O-N 3.46Å
96E92.4Very high95.3Very high94 Ų9447.9 Ų47.944%0.43924%0.242SC..THydrogen-bonded Turntrans-75.1-20.7-175.4-68.5172.2-176.900112.9K53 Y91 G94K53-E96 IonicContact NZ-OE1 2.63Å; K53-E96 PolarHBondContact NZ-OE1 3.28Å; Y91-E96 WeakPolarHBondContact CD2-OE2 3.39Å; Y91-E96 HydrophobicContact CE2-CB 4.22Å; Y91-E96 WeakPolarHBondContact CE2-OE2 3.36Å; G94-E96 VanDerWaalsContact C-N 3.26Å; G94-E96 PolarHBondContact O-N 3.4Å
97K94.9Very high95.3Very high31 Ų3144.7 Ų44.714%0.13523%0.228CC..THydrogen-bonded Turntrans-120.6-103.4177.8-60.6-60.6177.2-164.70110.6H30 F32 D59 Y91 T92 G94 P95 N99H30-K97 HydrophobicContact CB-CD 4.15Å; H30-K97 PolarHBondContact NE2-O 3.01Å; F32-K97 HydrophobicContact CD1-CD 4Å; F32-K97 HydrophobicContact CD1-CG 4.36Å; F32-K97 HydrophobicContact CE1-CD 4.16Å; F32-K97 HydrophobicContact CE1-CG 4.03Å; D59-K97 IonicContact OD2-NZ 3.9Å; D59-K97 PolarHBondContact OD2-NZ 2.82Å; Y91-K97 HydrophobicContact CD1-CG 4.05Å; Y91-K97 HydrophobicContact CE1-CD 4.12Å; Y91-K97 HydrophobicContact CE1-CG 3.82Å; Y91-K97 WeakPolarHBondContact O-CB 3.4Å; Y91-K97 WeakPolarHBondContact O-CG 3.47Å; Y91-K97 WeakPolarHBondContact OH-CE 3.43Å; Y91-K97 PolarHBondContact OH-NZ 2.93Å; T92-K97 WeakPolarHBondContact O-CB 3.37Å; G94-K97 PolarHBondContact O-N 2.94Å; P95-K97 VanDerWaalsContact C-N 3.31Å; P95-K97 PolarHBondContact O-N 3.46Å; K97-N99 VanDerWaalsContact C-N 3.33Å; K97-N99 PolarHBondContact O-N 2.64Å
98L94.8Very high95.4Very high8 Ų841.7 Ų41.74%0.04221%0.214CC..THydrogen-bonded Turntrans-73.5-24-170.4-66.7174.2000113.7V9 C20 Y22 T92 F93 I100V9-L98 HydrophobicContact CG1-CD1 3.66Å; C20-L98 HydrophobicContact CB-CD1 4.13Å; Y22-L98 HydrophobicContact CE2-CD2 4.33Å; Y22-L98 PolarHBondContact OH-O 3.12Å; T92-L98 HydrophobicContact CG2-CD1 4.26Å; T92-L98 WeakPolarHBondContact O-CB 3.13Å; T92-L98 WeakPolarHBondContact O-CG 3.45Å; T92-L98 PolarHBondContact O-N 3.06Å; F93-L98 HydrophobicContact CD1-CD1 4.25Å; L98-I100 HydrophobicContact CB-CD1 4.39Å; L98-I100 HydrophobicContact CB-CG1 4.18Å; L98-I100 HydrophobicContact CB-CG2 4.06Å; L98-I100 HydrophobicContact CD1-CD1 4.28Å; L98-I100 WeakPolarHBondContact O-CG2 3.46Å; L98-I100 PolarHBondContact O-N 3.3Å
99N95.9Very high95.4Very high109 Ų10941.8 Ų41.858%0.58321%0.214SC*.  trans47.959.3-177.4-169.426.6000112.4F93 G94 K97F93-N99 PolarHBondContact O-N 2.88Å; G94-N99 WeakPolarHBondContact O-CA 3.41Å; G94-N99 PolarHBondContact O-N 2.8Å; K97-N99 VanDerWaalsContact C-N 3.33Å; K97-N99 PolarHBondContact O-N 2.64Å
100I94Very high95.3Very high22 Ų2242.1 Ų42.111%0.11322%0.216CC..  trans-116.9147.4-176.257.5172.4000111.9K7 V9 Y22 F93 L98 S102 F133K7-I100 HydrophobicContact CD-CG2 4.46Å; V9-I100 HydrophobicContact CG1-CD1 4.45Å; V9-I100 HydrophobicContact CG2-CD1 3.64Å; Y22-I100 HydrophobicContact CE1-CG2 4.25Å; Y22-I100 WeakPolarHBondContact OH-CG2 3.38Å; F93-I100 HydrophobicContact CB-CD1 4.26Å; F93-I100 HydrophobicContact CB-CG1 4.01Å; F93-I100 HydrophobicContact CD1-CD1 3.88Å; F93-I100 HydrophobicContact CG-CD1 4.34Å; F93-I100 PolarHBondContact O-N 3.48Å; L98-I100 HydrophobicContact CB-CD1 4.39Å; L98-I100 HydrophobicContact CB-CG1 4.18Å; L98-I100 HydrophobicContact CB-CG2 4.06Å; L98-I100 HydrophobicContact CD1-CD1 4.28Å; L98-I100 WeakPolarHBondContact O-CG2 3.46Å; L98-I100 PolarHBondContact O-N 3.3Å; I100-S102 PolarHBondContact O-N 3.37Å; I100-F133 HydrophobicContact CD1-CE1 4.48Å
101E94Very high95Very high122 Ų12238.7 Ų38.757%0.5720%0.198SC*.  trans-86.8102.8162.5-169.8177.7-165.700108.5R103 N104 C105E101-R103 HydrophobicContact CG-CB 4.43Å; E101-R103 PolarHBondContact O-N 3.48Å; E101-R103 VanDerWaalsContact O-N 3.15Å; E101-N104 PolarHBondContact O-N 3.49Å; E101-N104 PolarHBondContact OE2-ND2 2.91Å; E101-C105 PolarHBondContact O-SG 2.98Å
102S93.6Very high94.6Very high21 Ų2138.3 Ų38.315%0.14720%0.198CC..G310 helixtrans-53.5-35.9-17551.30000113.3I100 N104 C105 Y131 F133I100-S102 PolarHBondContact O-N 3.37Å; S102-N104 PolarHBondContact O-N 3.29Å; S102-C105 PolarHBondContact O-N 3.11Å; S102-Y131 VanDerWaalsContact CB-O 3.26Å; S102-Y131 WeakPolarHBondContact CB-O 3.34Å; S102-Y131 PolarHBondContact OG-O 3.43Å; S102-F133 WeakPolarHBondContact O-CD1 3.29Å
103R93.6Very high94Very high135 Ų13538.9 Ų38.951%0.50920%0.201SC..G310 helixtrans-56.4-32.1178.3-67.7177.6-178.6-173.21.3114E101 Q132E101-R103 HydrophobicContact CG-CB 4.43Å; E101-R103 PolarHBondContact O-N 3.48Å; E101-R103 VanDerWaalsContact O-N 3.15Å; R103-Q132 WeakPolarHBondContact CA-O 3.46Å; R103-Q132 HydrophobicContact CG-CB 3.85Å; R103-Q132 VanDerWaalsContact NE-OE1 3.09Å
104N93.3Very high93.4Very high92 Ų9243.4 Ų43.449%0.49222%0.224SC..G310 helixtrans-99.916.7-177.4-67.1-30.3000112.4R6 E101 S102R6-N104 WeakPolarHBondContact CB-O 3.29Å; R6-N104 WeakPolarHBondContact CG-O 3.09Å; E101-N104 PolarHBondContact O-N 3.49Å; E101-N104 PolarHBondContact OE2-ND2 2.91Å; S102-N104 PolarHBondContact O-N 3.29Å
105C95.4Very high92.9Very high5 Ų543.4 Ų43.43%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-125.9157.4-176.4-61.70000112.3K7 V9 E101 S102 F133 A134K7-C105 VanDerWaalsContact O-CA 3.29Å; K7-C105 WeakPolarHBondContact O-CA 3.28Å; V9-C105 HydrophobicContact CG2-CB 4.38Å; E101-C105 PolarHBondContact O-SG 2.98Å; S102-C105 PolarHBondContact O-N 3.11Å; C105-F133 HydrophobicContact CB-CD1 4.05Å; C105-F133 HydrophobicContact CB-CE1 4.02Å; C105-A134 WeakPolarHBondContact O-CB 3.24Å; C105-A134 PolarHBondContact O-N 2.94Å
106K96.5Very high92.7Very high6 Ų641.1 Ų41.13%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-103.9151.4160.7-60.7-179.1-178.1177.80109.1D2 R6 K7 V8 V9 G135 K366 W372D2-K106 WeakPolarHBondContact OD2-CE 3.19Å; D2-K106 IonicContact OD2-NZ 3.79Å; D2-K106 PolarHBondContact OD2-NZ 3.25Å; R6-K106 VanDerWaalsContact CZ-CE 3.43Å; K7-K106 PolarHBondContact O-N 2.87Å; V8-K106 WeakPolarHBondContact CA-O 3.49Å; V8-K106 HydrophobicContact CG1-CB 4.4Å; V8-K106 HydrophobicContact CG2-CB 4.35Å; V9-K106 PolarHBondContact N-O 3.27Å; K106-G135 CarbonylContact C-O 3.29Å; K106-G135 WeakPolarHBondContact CA-O 3.26Å; K106-K366 PolarHBondContact NZ-O 3.44Å; K106-W372 HydrophobicContact CB-CD2 4.37Å; K106-W372 HydrophobicContact CB-CE3 4.1Å; K106-W372 HydrophobicContact CB-CH2 4.3Å; K106-W372 HydrophobicContact CB-CZ3 4.06Å; K106-W372 HydrophobicContact CD-CD2 3.81Å; K106-W372 HydrophobicContact CD-CE3 4.36Å; K106-W372 HydrophobicContact CD-CG 3.95Å; K106-W372 HydrophobicContact CD-CZ2 4.42Å
107I97.4Very high92.5Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-134.1127.1-179.8-171.9168.2000112.7V9 C11 F93 L109 M127 F133 G135 V136 Y137 W372V9-I107 HydrophobicContact CB-CB 4.48Å; V9-I107 HydrophobicContact CB-CG1 4.29Å; V9-I107 HydrophobicContact CG1-CD1 4.41Å; V9-I107 HydrophobicContact CG1-CG1 4.35Å; V9-I107 CarbonylContact O-C 3.44Å; V9-I107 WeakPolarHBondContact O-CA 3.4Å; C11-I107 HydrophobicContact CB-CD1 4.43Å; F93-I107 HydrophobicContact CE1-CD1 3.51Å; F93-I107 HydrophobicContact CE2-CD1 4.47Å; F93-I107 HydrophobicContact CZ-CD1 3.36Å; I107-L109 HydrophobicContact CD1-CD2 3.58Å; I107-L109 HydrophobicContact CD1-CG 4.27Å; I107-L109 HydrophobicContact CG1-CD2 3.84Å; I107-L109 HydrophobicContact CG1-CG 4.16Å; I107-M127 HydrophobicContact CD1-SD 4.42Å; I107-M127 HydrophobicContact CG2-SD 4.47Å; I107-F133 HydrophobicContact CB-CD1 3.95Å; I107-F133 HydrophobicContact CB-CE1 3.9Å; I107-F133 HydrophobicContact CB-CG 4.33Å; I107-F133 HydrophobicContact CB-CZ 4.24Å; I107-F133 HydrophobicContact CD1-CE1 4.29Å; I107-F133 HydrophobicContact CD1-CE2 4.15Å; I107-F133 HydrophobicContact CD1-CZ 3.83Å; I107-F133 HydrophobicContact CG2-CB 4.12Å; I107-F133 HydrophobicContact CG2-CD1 3.76Å; I107-F133 HydrophobicContact CG2-CD2 3.78Å; I107-F133 HydrophobicContact CG2-CE1 4.06Å; I107-F133 HydrophobicContact CG2-CE2 4.08Å; I107-F133 HydrophobicContact CG2-CG 3.61Å; I107-F133 HydrophobicContact CG2-CZ 4.22Å; I107-G135 PolarHBondContact N-O 3.32Å; I107-V136 HydrophobicContact CG2-CB 4.39Å; I107-V136 HydrophobicContact CG2-CG1 4.26Å; I107-V136 HydrophobicContact CG2-CG2 3.88Å; I107-V136 CarbonylContact O-C 3.5Å; I107-V136 WeakPolarHBondContact O-CA 3.2Å; I107-Y137 PolarHBondContact O-N 2.92Å; I107-W372 WeakPolarHBondContact O-CZ3 3.27Å
108L97.6Very high92.3Very high0 Ų045.8 Ų45.80%023%0.229CC..EExtended strand (participates in β ladder)trans-96.9118.4166.5-172.3151.3000108.8V9 V10 C11 T110 Y137 A139 L144 L361 A362 W372V9-L108 PolarHBondContact O-N 3.05Å; V10-L108 WeakPolarHBondContact CA-O 3.47Å; V10-L108 HydrophobicContact CG1-CD2 4.22Å; V10-L108 HydrophobicContact CG2-CB 4.39Å; C11-L108 PolarHBondContact N-O 3.31Å; L108-T110 HydrophobicContact CD2-CG2 4.15Å; L108-Y137 WeakPolarHBondContact CA-O 3.21Å; L108-Y137 HydrophobicContact CD1-CD1 3.94Å; L108-Y137 HydrophobicContact CG-CD1 4.12Å; L108-A139 HydrophobicContact CD2-CB 4.18Å; L108-L144 HydrophobicContact CD2-CD1 4.25Å; L108-L361 HydrophobicContact CD1-CD2 4.25Å; L108-L361 HydrophobicContact CD1-CG 4.49Å; L108-A362 HydrophobicContact CB-CB 4.33Å; L108-A362 HydrophobicContact CD1-CB 4.04Å; L108-W372 HydrophobicContact CB-CH2 4.14Å; L108-W372 HydrophobicContact CB-CZ3 4.29Å
109L96.8Very high92.2Very high2 Ų246.6 Ų46.61%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-102.9152.4173.3-62.8177.2000109.8C11 I107 I123 M127 Y137 I138 A139C11-L109 HydrophobicContact CB-CD2 3.78Å; I107-L109 HydrophobicContact CD1-CD2 3.58Å; I107-L109 HydrophobicContact CD1-CG 4.27Å; I107-L109 HydrophobicContact CG1-CD2 3.84Å; I107-L109 HydrophobicContact CG1-CG 4.16Å; L109-I123 HydrophobicContact CD1-CG2 3.34Å; L109-M127 HydrophobicContact CD1-CE 3.76Å; L109-M127 HydrophobicContact CD1-CG 3.82Å; L109-M127 HydrophobicContact CD1-SD 3.96Å; L109-M127 HydrophobicContact CD2-CE 4.49Å; L109-Y137 PolarHBondContact N-O 3.27Å; L109-I138 HydrophobicContact CB-CG1 4.44Å; L109-I138 WeakPolarHBondContact O-CA 3.47Å; L109-A139 PolarHBondContact O-N 3.46Å
110T94.4Very high92Very high8 Ų843.1 Ų43.15%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-110.4148.2172.772.40000111C11 D12 L108 A139 L144 V354C11-T110 PolarHBondContact O-N 3.37Å; D12-T110 WeakPolarHBondContact CA-OG1 3.28Å; D12-T110 HydrophobicContact CB-CG2 4.31Å; D12-T110 PolarHBondContact OD1-OG1 3.48Å; L108-T110 HydrophobicContact CD2-CG2 4.15Å; T110-A139 CarbonylContact C-O 3.5Å; T110-A139 VanDerWaalsContact CA-O 3.26Å; T110-A139 WeakPolarHBondContact CA-O 3.37Å; T110-L144 HydrophobicContact CG2-CD1 3.52Å; T110-V354 HydrophobicContact CG2-CG1 3.83Å
111E90.9Very high92Very high5 Ų544.1 Ų44.12%0.02322%0.217CC..EExtended strand (participates in β ladder)trans-130149.2174.771.1-175.6150.400111.6N115 R120 I138 A139 I140 Q141E111-N115 HydrophobicContact CB-CB 4.42Å; E111-N115 PolarHBondContact OE2-ND2 2.92Å; E111-R120 VanDerWaalsContact CD-CZ 3.45Å; E111-R120 VanDerWaalsContact CD-NE 3.29Å; E111-R120 IonicContact OE1-CZ 2.87Å; E111-R120 IonicContact OE1-NE 2.92Å; E111-R120 PolarHBondContact OE1-NE 3.12Å; E111-R120 IonicContact OE1-NH1 3.09Å; E111-R120 IonicContact OE1-NH2 3.22Å; E111-R120 PolarHBondContact OE1-NH2 3.24Å; E111-R120 IonicContact OE2-CZ 2.86Å; E111-R120 IonicContact OE2-NE 3.21Å; E111-R120 PolarHBondContact OE2-NE 3.41Å; E111-R120 IonicContact OE2-NH2 2.89Å; E111-R120 PolarHBondContact OE2-NH2 3.26Å; E111-I138 HydrophobicContact CB-CG2 4.02Å; E111-I138 VanDerWaalsContact CD-CG2 3.47Å; E111-I138 HydrophobicContact CG-CG2 3.87Å; E111-I138 WeakPolarHBondContact OE1-CG2 3.47Å; E111-A139 PolarHBondContact N-O 3.05Å; E111-I140 HydrophobicContact CG-CG1 4.45Å; E111-Q141 VanDerWaalsContact O-CG 3.28Å; E111-Q141 WeakPolarHBondContact O-CG 3.41Å; E111-Q141 PolarHBondContact O-N 3.33Å
112P88.4Confident92Very high11 Ų1141.4 Ų41.47%0.07120%0.203CC..  trans-68.6159.5175.233.2-39.6000111.4G77 N115G77-P112 WeakPolarHBondContact O-CG 3.33Å; P112-N115 HydrophobicContact CG-CB 4.31Å; P112-N115 PolarHBondContact O-N 2.94Å
113P84.4Confident92.1Very high11 Ų1141.1 Ų41.17%0.07120%0.2CC..THydrogen-bonded Turntrans-55.9147.2168.9-21.132.9000111.8N115 H165 C167 T179P113-N115 PolarHBondContact O-N 3.35Å; P113-H165 HydrophobicContact CG-CB 4.03Å; P113-C167 HydrophobicContact CG-CB 4.29Å; P113-T179 HydrophobicContact CB-CG2 3.64Å; P113-T179 HydrophobicContact CG-CG2 4.49Å
114M82.3Confident92.1Very high105 Ų10534.7 Ų34.752%0.51718%0.175SC..THydrogen-bonded Turntrans58.626.7179.7-54.4-170.7-69.900115.4T179 R181M114-T179 HydrophobicContact CE-CG2 4.28Å; M114-T179 HydrophobicContact CG-CG2 4.27Å; M114-R181 HydrophobicContact CE-CB 4.14Å
115N86.6Confident92.2Very high16 Ų1633 Ų339%0.08617%0.165CC..  trans-61.5130.3171.5-173.431.1000111.1E111 P112 P113 N119E111-N115 HydrophobicContact CB-CB 4.42Å; E111-N115 PolarHBondContact OE2-ND2 2.92Å; P112-N115 HydrophobicContact CG-CB 4.31Å; P112-N115 PolarHBondContact O-N 2.94Å; P113-N115 PolarHBondContact O-N 3.35Å; N115-N119 WeakPolarHBondContact OD1-CB 3.41Å; N115-N119 PolarHBondContact OD1-ND2 3.04Å
116P88.8Confident92.3Very high60 Ų6033.1 Ų33.139%0.3917%0.165SC..  trans-57.3138.5175.5-26.934.7000112.6K118 N119 R120P116-K118 PolarHBondContact O-N 3.3Å; P116-N119 WeakPolarHBondContact O-CB 3.32Å; P116-N119 PolarHBondContact O-N 3.48Å; P116-R120 PolarHBondContact O-N 2.92Å
117T89.1Confident92.3Very high64 Ų6432.9 Ų32.939%0.39316%0.164SC..Hα-helixtrans-57.2-37.617954.10000112.4N119 R120 E121 V391T117-N119 VanDerWaalsContact C-N 3.26Å; T117-N119 PolarHBondContact O-N 3.49Å; T117-R120 CarbonylContact O-C 3.57Å; T117-R120 WeakPolarHBondContact O-CA 3.2Å; T117-R120 WeakPolarHBondContact O-CB 3.4Å; T117-R120 PolarHBondContact O-N 3.31Å; T117-E121 WeakPolarHBondContact O-CG 3.3Å; T117-E121 PolarHBondContact O-N 2.63Å; T117-V391 HydrophobicContact CG2-CG1 3.81Å
118K91.4Very high92.3Very high159 Ų15933 Ų3369%0.69117%0.165SC*.Hα-helixtrans-55.6-37.9174.4-68.4-172.4176.7-174.80113.4P116 K122P116-K118 PolarHBondContact O-N 3.3Å; K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 PolarHBondContact O-N 2.96Å
119N92.1Very high92.3Very high26 Ų2638.2 Ų38.214%0.13919%0.189CC..Hα-helixtrans-71.3-38.3177.4-68-12000110.7I78 W82 N115 P116 T117 K122 I123I78-N119 WeakPolarHBondContact CG2-ND2 3.27Å; W82-N119 HydrophobicContact CH2-CB 4.33Å; W82-N119 WeakPolarHBondContact CH2-O 3.42Å; W82-N119 HydrophobicContact CZ2-CB 4.1Å; N115-N119 WeakPolarHBondContact OD1-CB 3.41Å; N115-N119 PolarHBondContact OD1-ND2 3.04Å; P116-N119 WeakPolarHBondContact O-CB 3.32Å; P116-N119 PolarHBondContact O-N 3.48Å; T117-N119 VanDerWaalsContact C-N 3.26Å; T117-N119 PolarHBondContact O-N 3.49Å; N119-K122 PolarHBondContact O-N 3.25Å; N119-I123 VanDerWaalsContact O-CG1 3.29Å; N119-I123 WeakPolarHBondContact O-CG1 3.3Å; N119-I123 PolarHBondContact O-N 2.96Å
120R91.7Very high92.2Very high36 Ų3641.9 Ų41.914%0.13621%0.212CC..Hα-helixtrans-62.7-44.2175.2-165.7178.6-66.3166.97.6111.5E111 P116 T117 K122 I123 I124 I138 L386E111-R120 VanDerWaalsContact CD-CZ 3.45Å; E111-R120 VanDerWaalsContact CD-NE 3.29Å; E111-R120 IonicContact OE1-CZ 2.87Å; E111-R120 IonicContact OE1-NE 2.92Å; E111-R120 PolarHBondContact OE1-NE 3.12Å; E111-R120 IonicContact OE1-NH1 3.09Å; E111-R120 IonicContact OE1-NH2 3.22Å; E111-R120 PolarHBondContact OE1-NH2 3.24Å; E111-R120 IonicContact OE2-CZ 2.86Å; E111-R120 IonicContact OE2-NE 3.21Å; E111-R120 PolarHBondContact OE2-NE 3.41Å; E111-R120 IonicContact OE2-NH2 2.89Å; E111-R120 PolarHBondContact OE2-NH2 3.26Å; P116-R120 PolarHBondContact O-N 2.92Å; T117-R120 CarbonylContact O-C 3.57Å; T117-R120 WeakPolarHBondContact O-CA 3.2Å; T117-R120 WeakPolarHBondContact O-CB 3.4Å; T117-R120 PolarHBondContact O-N 3.31Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 3.47Å; R120-I123 PolarHBondContact O-N 2.93Å; R120-I124 WeakPolarHBondContact O-CG1 3.38Å; R120-I124 PolarHBondContact O-N 3.3Å; R120-I124 VanDerWaalsContact O-N 3.11Å; R120-I138 HydrophobicContact CG-CD1 3.63Å; R120-L386 HydrophobicContact CB-CD1 4.49Å; R120-L386 HydrophobicContact CG-CD1 4.11Å; R120-L386 HydrophobicContact CG-CD2 3.95Å
121E93.7Very high92.3Very high42 Ų4242.2 Ų42.220%0.19621%0.212CC..Hα-helixtrans-57.6-47.3173-70.8167.2-154.700111.2T117 I123 I124 E125 V383 L386T117-E121 WeakPolarHBondContact O-CG 3.3Å; T117-E121 PolarHBondContact O-N 2.63Å; E121-I123 PolarHBondContact O-N 3.22Å; E121-I124 PolarHBondContact O-N 3.49Å; E121-E125 PolarHBondContact O-N 3.38Å; E121-V383 HydrophobicContact CB-CB 4.48Å; E121-V383 HydrophobicContact CB-CG1 4.26Å; E121-V383 HydrophobicContact CG-CB 4.26Å; E121-L386 HydrophobicContact CB-CD1 4.4Å; E121-L386 HydrophobicContact CG-CD1 3.79Å
122K94.6Very high92.6Very high66 Ų6644 Ų4429%0.28722%0.22SC..Hα-helixtrans-65.9-35.7-179.9-169.756.4171.7-177.60113.2W82 K118 N119 R120 E125 V126W82-K122 HydrophobicContact CD2-CG 3.67Å; W82-K122 HydrophobicContact CE3-CG 3.73Å; W82-K122 HydrophobicContact CG-CG 4.37Å; W82-K122 HydrophobicContact CH2-CB 3.7Å; W82-K122 HydrophobicContact CH2-CG 3.84Å; W82-K122 HydrophobicContact CZ2-CB 3.71Å; W82-K122 HydrophobicContact CZ2-CG 3.76Å; W82-K122 HydrophobicContact CZ3-CB 4.1Å; W82-K122 HydrophobicContact CZ3-CG 3.8Å; K118-K122 WeakPolarHBondContact O-CB 3.26Å; K118-K122 PolarHBondContact O-N 2.96Å; N119-K122 PolarHBondContact O-N 3.25Å; R120-K122 VanDerWaalsContact C-N 3.35Å; R120-K122 PolarHBondContact O-N 3.47Å; K122-E125 WeakPolarHBondContact CD-OE2 3.49Å; K122-E125 IonicContact NZ-OE1 2.66Å; K122-E125 PolarHBondContact NZ-OE1 3.42Å; K122-E125 IonicContact NZ-OE2 2.79Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.42Å; K122-V126 HydrophobicContact CD-CG2 4.42Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.48Å; K122-V126 PolarHBondContact O-N 2.98Å
123I94.6Very high93Very high14 Ų1443.5 Ų43.57%0.07222%0.217CC..Hα-helixtrans-59.9-49.4172.3-70.8163.7000109.8W82 W89 L109 N119 R120 E121 E125 V126 M127 I138W82-I123 HydrophobicContact CH2-CG1 3.82Å; W82-I123 HydrophobicContact CZ3-CG1 3.9Å; W89-I123 HydrophobicContact CH2-CG1 4.23Å; L109-I123 HydrophobicContact CD1-CG2 3.34Å; N119-I123 VanDerWaalsContact O-CG1 3.29Å; N119-I123 WeakPolarHBondContact O-CG1 3.3Å; N119-I123 PolarHBondContact O-N 2.96Å; R120-I123 PolarHBondContact O-N 2.93Å; E121-I123 PolarHBondContact O-N 3.22Å; I123-E125 PolarHBondContact O-N 3.15Å; I123-V126 PolarHBondContact O-N 3.19Å; I123-M127 HydrophobicContact CG2-CG 4.12Å; I123-M127 WeakPolarHBondContact O-CB 3.42Å; I123-M127 WeakPolarHBondContact O-CG 3.48Å; I123-M127 PolarHBondContact O-N 2.84Å; I123-I138 HydrophobicContact CB-CD1 4.28Å; I123-I138 HydrophobicContact CG2-CD1 3.88Å
124I94.8Very high93.5Very high0 Ų044 Ų440%022%0.222CC..Hα-helixtrans-60.7-45.8179.8-71-55.6000111.6R120 E121 V126 M127 F128 V136 I138 L373 Y378 V385 L386R120-I124 WeakPolarHBondContact O-CG1 3.38Å; R120-I124 PolarHBondContact O-N 3.3Å; R120-I124 VanDerWaalsContact O-N 3.11Å; E121-I124 PolarHBondContact O-N 3.49Å; I124-V126 PolarHBondContact O-N 3Å; I124-M127 PolarHBondContact O-N 3.08Å; I124-F128 HydrophobicContact CD1-CE2 4.44Å; I124-F128 HydrophobicContact CG2-CD2 3.63Å; I124-F128 HydrophobicContact CG2-CE2 3.8Å; I124-F128 WeakPolarHBondContact O-CD2 3.34Å; I124-F128 PolarHBondContact O-N 3.18Å; I124-V136 HydrophobicContact CD1-CB 4.25Å; I124-V136 HydrophobicContact CD1-CG1 3.65Å; I124-I138 HydrophobicContact CD1-CD1 3.59Å; I124-I138 HydrophobicContact CD1-CG1 4.13Å; I124-I138 HydrophobicContact CG1-CD1 3.83Å; I124-L373 HydrophobicContact CD1-CD1 3.74Å; I124-L373 HydrophobicContact CG1-CD1 4.5Å; I124-Y378 HydrophobicContact CG2-CD2 3.78Å; I124-Y378 HydrophobicContact CG2-CE2 3.81Å; I124-V385 HydrophobicContact CG2-CG1 4.15Å; I124-L386 HydrophobicContact CD1-CD2 4.25Å; I124-L386 HydrophobicContact CG1-CD1 4.15Å; I124-L386 HydrophobicContact CG1-CD2 3.66Å; I124-L386 HydrophobicContact CG1-CG 4Å
125E95.4Very high94.2Very high58 Ų5839 Ų3927%0.27120%0.198SC..Hα-helixtrans-54.9-52.4175.1-171.9-163.4137.900110.8E121 K122 I123 M127 F128 E129E121-E125 PolarHBondContact O-N 3.38Å; K122-E125 WeakPolarHBondContact CD-OE2 3.49Å; K122-E125 IonicContact NZ-OE1 2.66Å; K122-E125 PolarHBondContact NZ-OE1 3.42Å; K122-E125 IonicContact NZ-OE2 2.79Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.42Å; I123-E125 PolarHBondContact O-N 3.15Å; E125-M127 VanDerWaalsContact C-N 3.35Å; E125-M127 PolarHBondContact O-N 2.9Å; E125-F128 PolarHBondContact O-N 3.05Å; E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 WeakPolarHBondContact O-CB 3.17Å; E125-E129 WeakPolarHBondContact O-CG 3.46Å; E125-E129 PolarHBondContact O-N 2.68Å
126V96.6Very high94.6Very high7 Ų738.3 Ų38.34%0.04219%0.194CC..Iπ-helixtrans-62.9-40.6-179.9172.80000112K86 W89 K122 I123 I124 T130 Y131K86-V126 HydrophobicContact CG-CG1 4.26Å; W89-V126 HydrophobicContact CE3-CG1 3.91Å; W89-V126 HydrophobicContact CZ3-CB 4.23Å; W89-V126 HydrophobicContact CZ3-CG1 3.67Å; K122-V126 HydrophobicContact CD-CG2 4.42Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.48Å; K122-V126 PolarHBondContact O-N 2.98Å; I123-V126 PolarHBondContact O-N 3.19Å; I124-V126 PolarHBondContact O-N 3Å; V126-T130 VanDerWaalsContact O-CB 3.26Å; V126-T130 WeakPolarHBondContact O-CB 3.47Å; V126-T130 PolarHBondContact O-N 2.95Å; V126-T130 VanDerWaalsContact O-N 3.12Å; V126-Y131 HydrophobicContact CG1-CD2 3.85Å; V126-Y131 HydrophobicContact CG1-CE2 3.58Å; V126-Y131 WeakPolarHBondContact O-CD2 3.24Å; V126-Y131 PolarHBondContact O-N 3.34Å
127M97.1Very high95Very high0 Ų037.7 Ų37.70%018%0.184CC..Iπ-helixtrans-69.1-34.7-177.5-67.6-68.1152.400112.8W89 F93 I107 L109 I123 I124 E125 Y131 Q132 F133 V136W89-M127 HydrophobicContact CD2-CE 3.48Å; W89-M127 VanDerWaalsContact CD2-CE 3.48Å; W89-M127 HydrophobicContact CE3-CE 3.72Å; W89-M127 HydrophobicContact CG-CE 4.11Å; W89-M127 HydrophobicContact CH2-CE 3.75Å; W89-M127 HydrophobicContact CZ2-CE 3.51Å; W89-M127 HydrophobicContact CZ3-CE 3.86Å; F93-M127 HydrophobicContact CE2-CE 4.49Å; F93-M127 HydrophobicContact CE2-SD 4.46Å; I107-M127 HydrophobicContact CD1-SD 4.42Å; I107-M127 HydrophobicContact CG2-SD 4.47Å; L109-M127 HydrophobicContact CD1-CE 3.76Å; L109-M127 HydrophobicContact CD1-CG 3.82Å; L109-M127 HydrophobicContact CD1-SD 3.96Å; L109-M127 HydrophobicContact CD2-CE 4.49Å; I123-M127 HydrophobicContact CG2-CG 4.12Å; I123-M127 WeakPolarHBondContact O-CB 3.42Å; I123-M127 WeakPolarHBondContact O-CG 3.48Å; I123-M127 PolarHBondContact O-N 2.84Å; I124-M127 PolarHBondContact O-N 3.08Å; E125-M127 VanDerWaalsContact C-N 3.35Å; E125-M127 PolarHBondContact O-N 2.9Å; M127-Y131 HydrophobicContact CE-CD2 4.5Å; M127-Y131 CarbonylContact O-C 3.31Å; M127-Y131 HydrophobicContact SD-CD2 4.25Å; M127-Q132 PolarHBondContact O-N 3.5Å; M127-F133 HydrophobicContact CB-CD2 4.33Å; M127-F133 PolarHBondContact O-N 2.86Å; M127-F133 VanDerWaalsContact O-N 3.13Å; M127-F133 HydrophobicContact SD-CD2 3.92Å; M127-F133 HydrophobicContact SD-CE2 3.74Å; M127-V136 HydrophobicContact CB-CG1 4.43Å; M127-V136 HydrophobicContact CB-CG2 3.83Å
128F97.3Very high95.2Very high4 Ų435 Ų352%0.01817%0.167CC..Iπ-helixtrans-92.4-37178.7-72.3-57.5000114.2I124 E125 Q132 F133 V136 L373 R375 Y378I124-F128 HydrophobicContact CD1-CE2 4.44Å; I124-F128 HydrophobicContact CG2-CD2 3.63Å; I124-F128 HydrophobicContact CG2-CE2 3.8Å; I124-F128 WeakPolarHBondContact O-CD2 3.34Å; I124-F128 PolarHBondContact O-N 3.18Å; E125-F128 PolarHBondContact O-N 3.05Å; F128-Q132 VanDerWaalsContact O-CA 3.24Å; F128-Q132 WeakPolarHBondContact O-CA 3.39Å; F128-Q132 WeakPolarHBondContact O-CG 3.37Å; F128-Q132 PolarHBondContact O-N 2.74Å; F128-F133 WeakPolarHBondContact CD1-O 3.42Å; F128-F133 WeakPolarHBondContact CE1-O 3.39Å; F128-V136 HydrophobicContact CD1-CG2 4.21Å; F128-V136 HydrophobicContact CE1-CB 4.34Å; F128-V136 HydrophobicContact CE1-CG2 3.66Å; F128-V136 HydrophobicContact CE2-CB 4.16Å; F128-V136 HydrophobicContact CE2-CG2 4.03Å; F128-V136 HydrophobicContact CZ-CB 3.77Å; F128-V136 HydrophobicContact CZ-CG2 3.56Å; F128-L373 HydrophobicContact CE2-CB 4.38Å; F128-L373 HydrophobicContact CZ-CB 4.13Å; F128-L373 WeakPolarHBondContact CZ-O 3.28Å; F128-R375 HydrophobicContact CD1-CB 3.94Å; F128-R375 HydrophobicContact CD1-CG 4.2Å; F128-R375 HydrophobicContact CE1-CB 4.03Å; F128-Y378 HydrophobicContact CB-CD1 3.44Å; F128-Y378 VanDerWaalsContact CB-CD1 3.44Å; F128-Y378 HydrophobicContact CB-CE1 3.62Å; F128-Y378 HydrophobicContact CB-CG 3.93Å; F128-Y378 AromaticContact CD2-CD1 3.92Å; F128-Y378 HydrophobicContact CD2-CD1 3.92Å; F128-Y378 AromaticContact CD2-CD2 3.65Å; F128-Y378 HydrophobicContact CD2-CD2 3.65Å; F128-Y378 HydrophobicContact CD2-CE1 4.5Å; F128-Y378 HydrophobicContact CD2-CE2 4.27Å; F128-Y378 AromaticContact CD2-CG 3.45Å; F128-Y378 HydrophobicContact CD2-CG 3.45Å; F128-Y378 VanDerWaalsContact CD2-CG 3.45Å; F128-Y378 HydrophobicContact CE2-CD2 4.26Å; F128-Y378 HydrophobicContact CE2-CG 4.11Å; F128-Y378 AromaticContact CG-CD1 3.84Å; F128-Y378 HydrophobicContact CG-CD1 3.84Å; F128-Y378 HydrophobicContact CG-CD2 4.41Å; F128-Y378 HydrophobicContact CG-CE1 4.42Å; F128-Y378 AromaticContact CG-CG 3.82Å; F128-Y378 HydrophobicContact CG-CG 3.82Å
129E96.4Very high95.3Very high108 Ų10827.7 Ų27.751%0.50514%0.137SC..Iπ-helixtrans-81.7-50.8-177.7-61.8-171.4170.900111.7E125 Q132 Y378E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 WeakPolarHBondContact O-CB 3.17Å; E125-E129 WeakPolarHBondContact O-CG 3.46Å; E125-E129 PolarHBondContact O-N 2.68Å; E129-Q132 WeakPolarHBondContact O-CG 3.48Å; E129-Y378 HydrophobicContact CG-CE1 3.96Å; E129-Y378 WeakPolarHBondContact CG-OH 3.33Å; E129-Y378 PolarHBondContact OE1-OH 3.1Å
130T96.2Very high95.3Very high79 Ų7928.4 Ų28.449%0.48514%0.14SC..Iπ-helixtrans-81.5-56.2-176.5-52.10000111.1V126V126-T130 VanDerWaalsContact O-CB 3.26Å; V126-T130 WeakPolarHBondContact O-CB 3.47Å; V126-T130 PolarHBondContact O-N 2.95Å; V126-T130 VanDerWaalsContact O-N 3.12Å
131Y96.7Very high95.3Very high16 Ų1627.5 Ų27.56%0.06314%0.138CC..SBendtrans-88.9-18.8-174.9-63.5-70.9000113.9K86 W89 D90 F93 S102 V126 M127 F133K86-Y131 PolarHBondContact O-OH 2.83Å; W89-Y131 HydrophobicContact CB-CE2 3.98Å; W89-Y131 WeakPolarHBondContact CB-OH 3.3Å; W89-Y131 HydrophobicContact CE3-CE2 4.04Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.35Å; D90-Y131 VanDerWaalsContact OD1-CZ 3.3Å; D90-Y131 PolarHBondContact OD1-OH 3.28Å; F93-Y131 AromaticContact CD2-CD1 3.87Å; F93-Y131 HydrophobicContact CD2-CD1 3.87Å; F93-Y131 AromaticContact CD2-CE1 3.92Å; F93-Y131 HydrophobicContact CD2-CE1 3.92Å; F93-Y131 HydrophobicContact CD2-CG 4.33Å; F93-Y131 HydrophobicContact CE2-CD1 4.25Å; F93-Y131 HydrophobicContact CE2-CD2 4.36Å; F93-Y131 HydrophobicContact CE2-CE1 4.35Å; F93-Y131 HydrophobicContact CE2-CE2 4.44Å; F93-Y131 HydrophobicContact CE2-CG 4.28Å; S102-Y131 VanDerWaalsContact CB-O 3.26Å; S102-Y131 WeakPolarHBondContact CB-O 3.34Å; S102-Y131 PolarHBondContact OG-O 3.43Å; V126-Y131 HydrophobicContact CG1-CD2 3.85Å; V126-Y131 HydrophobicContact CG1-CE2 3.58Å; V126-Y131 WeakPolarHBondContact O-CD2 3.24Å; V126-Y131 PolarHBondContact O-N 3.34Å; M127-Y131 HydrophobicContact CE-CD2 4.5Å; M127-Y131 CarbonylContact O-C 3.31Å; M127-Y131 HydrophobicContact SD-CD2 4.25Å; Y131-F133 VanDerWaalsContact C-N 3.28Å; Y131-F133 VanDerWaalsContact CB-CE2 3.49Å; Y131-F133 HydrophobicContact CG-CE2 4.09Å; Y131-F133 PolarHBondContact O-N 3.33Å
132Q96.9Very high95.3Very high42 Ų4225.6 Ų25.620%0.19613%0.129CC..  trans57.335.9173.6-60-176.317.900114.6R103 M127 F128 E129R103-Q132 WeakPolarHBondContact CA-O 3.46Å; R103-Q132 HydrophobicContact CG-CB 3.85Å; R103-Q132 VanDerWaalsContact NE-OE1 3.09Å; M127-Q132 PolarHBondContact O-N 3.5Å; F128-Q132 VanDerWaalsContact O-CA 3.24Å; F128-Q132 WeakPolarHBondContact O-CA 3.39Å; F128-Q132 WeakPolarHBondContact O-CG 3.37Å; F128-Q132 PolarHBondContact O-N 2.74Å; E129-Q132 WeakPolarHBondContact O-CG 3.48Å
133F96.9Very high95.2Very high0 Ų023.2 Ų23.20%012%0.12CC..  trans-56145.2176.1-78.2-81000111.9F93 I100 S102 C105 I107 M127 F128 Y131 G135 V136F93-F133 HydrophobicContact CD1-CZ 4.25Å; F93-F133 HydrophobicContact CD2-CE2 4.24Å; F93-F133 HydrophobicContact CD2-CZ 4.04Å; F93-F133 HydrophobicContact CE1-CZ 4.03Å; F93-F133 AromaticContact CE2-CE2 3.75Å; F93-F133 HydrophobicContact CE2-CE2 3.75Å; F93-F133 AromaticContact CE2-CZ 3.79Å; F93-F133 HydrophobicContact CE2-CZ 3.79Å; F93-F133 HydrophobicContact CG-CZ 4.27Å; F93-F133 HydrophobicContact CZ-CE2 4.01Å; F93-F133 AromaticContact CZ-CZ 3.8Å; F93-F133 HydrophobicContact CZ-CZ 3.8Å; I100-F133 HydrophobicContact CD1-CE1 4.48Å; S102-F133 WeakPolarHBondContact O-CD1 3.29Å; C105-F133 HydrophobicContact CB-CD1 4.05Å; C105-F133 HydrophobicContact CB-CE1 4.02Å; I107-F133 HydrophobicContact CB-CD1 3.95Å; I107-F133 HydrophobicContact CB-CE1 3.9Å; I107-F133 HydrophobicContact CB-CG 4.33Å; I107-F133 HydrophobicContact CB-CZ 4.24Å; I107-F133 HydrophobicContact CD1-CE1 4.29Å; I107-F133 HydrophobicContact CD1-CE2 4.15Å; I107-F133 HydrophobicContact CD1-CZ 3.83Å; I107-F133 HydrophobicContact CG2-CB 4.12Å; I107-F133 HydrophobicContact CG2-CD1 3.76Å; I107-F133 HydrophobicContact CG2-CD2 3.78Å; I107-F133 HydrophobicContact CG2-CE1 4.06Å; I107-F133 HydrophobicContact CG2-CE2 4.08Å; I107-F133 HydrophobicContact CG2-CG 3.61Å; I107-F133 HydrophobicContact CG2-CZ 4.22Å; M127-F133 HydrophobicContact CB-CD2 4.33Å; M127-F133 PolarHBondContact O-N 2.86Å; M127-F133 VanDerWaalsContact O-N 3.13Å; M127-F133 HydrophobicContact SD-CD2 3.92Å; M127-F133 HydrophobicContact SD-CE2 3.74Å; F128-F133 WeakPolarHBondContact CD1-O 3.42Å; F128-F133 WeakPolarHBondContact CE1-O 3.39Å; Y131-F133 VanDerWaalsContact C-N 3.28Å; Y131-F133 VanDerWaalsContact CB-CE2 3.49Å; Y131-F133 HydrophobicContact CG-CE2 4.09Å; Y131-F133 PolarHBondContact O-N 3.33Å; F133-G135 VanDerWaalsContact C-N 3.34Å; F133-V136 HydrophobicContact CB-CG2 3.95Å
134A95.1Very high95.2Very high22 Ų2222.7 Ų22.718%0.18212%0.117CC..SBendtrans-70.1-34.4179.400000112C105 R375C105-A134 WeakPolarHBondContact O-CB 3.24Å; C105-A134 PolarHBondContact O-N 2.94Å; A134-R375 PolarHBondContact O-N 3.39Å
135G95.4Very high95.2Very high1 Ų122.7 Ų22.71%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-151143.1175.400000112.4K106 I107 F133 L373K106-G135 CarbonylContact C-O 3.29Å; K106-G135 WeakPolarHBondContact CA-O 3.26Å; I107-G135 PolarHBondContact N-O 3.32Å; F133-G135 VanDerWaalsContact C-N 3.34Å; G135-L373 CarbonylContact C-O 3.59Å; G135-L373 WeakPolarHBondContact CA-O 3.47Å
136V96.8Very high95.1Very high0 Ų019.9 Ų19.90%010%0.104CC..EExtended strand (participates in β ladder)trans-127.9141.5-178.3-177.60000109.2I107 I124 M127 F128 F133 L373I107-V136 HydrophobicContact CG2-CB 4.39Å; I107-V136 HydrophobicContact CG2-CG1 4.26Å; I107-V136 HydrophobicContact CG2-CG2 3.88Å; I107-V136 CarbonylContact O-C 3.5Å; I107-V136 WeakPolarHBondContact O-CA 3.2Å; I124-V136 HydrophobicContact CD1-CB 4.25Å; I124-V136 HydrophobicContact CD1-CG1 3.65Å; M127-V136 HydrophobicContact CB-CG1 4.43Å; M127-V136 HydrophobicContact CB-CG2 3.83Å; F128-V136 HydrophobicContact CD1-CG2 4.21Å; F128-V136 HydrophobicContact CE1-CB 4.34Å; F128-V136 HydrophobicContact CE1-CG2 3.66Å; F128-V136 HydrophobicContact CE2-CB 4.16Å; F128-V136 HydrophobicContact CE2-CG2 4.03Å; F128-V136 HydrophobicContact CZ-CB 3.77Å; F128-V136 HydrophobicContact CZ-CG2 3.56Å; F133-V136 HydrophobicContact CB-CG2 3.95Å; V136-L373 PolarHBondContact N-O 2.87Å; V136-L373 VanDerWaalsContact O-CB 3.27Å; V136-L373 WeakPolarHBondContact O-CB 3.42Å; V136-L373 WeakPolarHBondContact O-CG 3.41Å; V136-L373 PolarHBondContact O-N 3.48Å
137Y95.7Very high94.7Very high47 Ų4723.4 Ų23.418%0.18412%0.117CC..EExtended strand (participates in β ladder)trans-135.4140.6168.3-171-98.4000109.7I107 L108 L109 A139 L361 F371 L389I107-Y137 PolarHBondContact O-N 2.92Å; L108-Y137 WeakPolarHBondContact CA-O 3.21Å; L108-Y137 HydrophobicContact CD1-CD1 3.94Å; L108-Y137 HydrophobicContact CG-CD1 4.12Å; L109-Y137 PolarHBondContact N-O 3.27Å; Y137-A139 HydrophobicContact CD1-CB 4.09Å; Y137-A139 HydrophobicContact CE1-CB 3.82Å; Y137-L361 HydrophobicContact CE1-CD2 4.34Å; Y137-F371 AromaticContact CD1-CE1 3.85Å; Y137-F371 HydrophobicContact CD1-CE1 3.85Å; Y137-F371 HydrophobicContact CD1-CE2 4.24Å; Y137-F371 AromaticContact CD1-CZ 3.45Å; Y137-F371 HydrophobicContact CD1-CZ 3.45Å; Y137-F371 VanDerWaalsContact CD1-CZ 3.45Å; Y137-F371 HydrophobicContact CD2-CD1 4.08Å; Y137-F371 HydrophobicContact CD2-CD2 4.3Å; Y137-F371 AromaticContact CD2-CE1 3.74Å; Y137-F371 HydrophobicContact CD2-CE1 3.74Å; Y137-F371 AromaticContact CD2-CE2 3.97Å; Y137-F371 HydrophobicContact CD2-CE2 3.97Å; Y137-F371 HydrophobicContact CD2-CG 4.37Å; Y137-F371 AromaticContact CD2-CZ 3.69Å; Y137-F371 HydrophobicContact CD2-CZ 3.69Å; Y137-F371 VanDerWaalsContact CD2-O 3.23Å; Y137-F371 WeakPolarHBondContact CD2-O 3.09Å; Y137-F371 HydrophobicContact CE1-CE1 4.25Å; Y137-F371 AromaticContact CE1-CE2 3.79Å; Y137-F371 HydrophobicContact CE1-CE2 3.79Å; Y137-F371 AromaticContact CE1-CZ 3.4Å; Y137-F371 HydrophobicContact CE1-CZ 3.4Å; Y137-F371 HydrophobicContact CE2-CD1 4.47Å; Y137-F371 AromaticContact CE2-CD2 3.88Å; Y137-F371 HydrophobicContact CE2-CD2 3.88Å; Y137-F371 HydrophobicContact CE2-CE1 4.13Å; Y137-F371 AromaticContact CE2-CE2 3.47Å; Y137-F371 HydrophobicContact CE2-CE2 3.47Å; Y137-F371 VanDerWaalsContact CE2-CE2 3.47Å; Y137-F371 HydrophobicContact CE2-CG 4.38Å; Y137-F371 AromaticContact CE2-CZ 3.62Å; Y137-F371 HydrophobicContact CE2-CZ 3.62Å; Y137-F371 HydrophobicContact CG-CD1 4.3Å; Y137-F371 AromaticContact CG-CE1 3.57Å; Y137-F371 HydrophobicContact CG-CE1 3.57Å; Y137-F371 HydrophobicContact CG-CE2 4.31Å; Y137-F371 AromaticContact CG-CZ 3.59Å; Y137-F371 HydrophobicContact CG-CZ 3.59Å; Y137-F371 AromaticContact CZ-CE2 3.38Å; Y137-F371 AromaticContact CZ-CZ 3.49Å; Y137-F371 VanDerWaalsContact CZ-CZ 3.49Å; Y137-L389 HydrophobicContact CD2-CD2 3.86Å; Y137-L389 HydrophobicContact CE2-CD2 3.34Å
138I94.4Very high94.4Very high7 Ų725.2 Ų25.24%0.03613%0.132CC..EExtended strand (participates in β ladder)trans-117.6120.8176.7-57.4177.6000107.9L109 E111 R120 I123 I124 L389L109-I138 HydrophobicContact CB-CG1 4.44Å; L109-I138 WeakPolarHBondContact O-CA 3.47Å; E111-I138 HydrophobicContact CB-CG2 4.02Å; E111-I138 VanDerWaalsContact CD-CG2 3.47Å; E111-I138 HydrophobicContact CG-CG2 3.87Å; E111-I138 WeakPolarHBondContact OE1-CG2 3.47Å; R120-I138 HydrophobicContact CG-CD1 3.63Å; I123-I138 HydrophobicContact CB-CD1 4.28Å; I123-I138 HydrophobicContact CG2-CD1 3.88Å; I124-I138 HydrophobicContact CD1-CD1 3.59Å; I124-I138 HydrophobicContact CD1-CG1 4.13Å; I124-I138 HydrophobicContact CG1-CD1 3.83Å; I138-L389 HydrophobicContact CB-CD1 4.45Å
139A92.8Very high94Very high6 Ų628.1 Ų28.15%0.0515%0.146CC..EExtended strand (participates in β ladder)trans-114.5140.5-17700000111.6L108 L109 T110 E111 Y137 Q141 L144L108-A139 HydrophobicContact CD2-CB 4.18Å; L109-A139 PolarHBondContact O-N 3.46Å; T110-A139 CarbonylContact C-O 3.5Å; T110-A139 VanDerWaalsContact CA-O 3.26Å; T110-A139 WeakPolarHBondContact CA-O 3.37Å; E111-A139 PolarHBondContact N-O 3.05Å; Y137-A139 HydrophobicContact CD1-CB 4.09Å; Y137-A139 HydrophobicContact CE1-CB 3.82Å; A139-Q141 PolarHBondContact O-N 2.74Å; A139-L144 HydrophobicContact CB-CD1 3.68Å; A139-L144 HydrophobicContact CB-CD2 3.79Å; A139-L144 HydrophobicContact CB-CG 3.77Å
140I91.6Very high93.7Very high42 Ų4226.2 Ų26.222%0.21516%0.155CC..EExtended strand (participates in β ladder)trans-72.8128.2173.2-59.6173.6000108.8E111 A142 V143 L144 S174E111-I140 HydrophobicContact CG-CG1 4.45Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 HydrophobicContact CG2-CB 4.43Å; I140-A142 PolarHBondContact O-N 3.34Å; I140-V143 HydrophobicContact CB-CG2 4.11Å; I140-V143 HydrophobicContact CG2-CG2 4.39Å; I140-V143 PolarHBondContact O-N 2.91Å; I140-V143 VanDerWaalsContact O-N 3.12Å; I140-L144 PolarHBondContact O-N 3.49Å; I140-S174 WeakPolarHBondContact CD1-OG 3.08Å
141Q93.4Very high93.6Very high17 Ų1723.9 Ų23.98%0.07914%0.139CC..Hα-helixtrans-51.6-46.5-176.9-72.9174.3-29.300112.9D12 E111 A139 V143 L144 T145 V354D12-Q141 PolarHBondContact OD1-NE2 3.48Å; E111-Q141 VanDerWaalsContact O-CG 3.28Å; E111-Q141 WeakPolarHBondContact O-CG 3.41Å; E111-Q141 PolarHBondContact O-N 3.33Å; A139-Q141 PolarHBondContact O-N 2.74Å; Q141-V143 PolarHBondContact O-N 3.19Å; Q141-L144 PolarHBondContact O-N 3.17Å; Q141-T145 WeakPolarHBondContact O-CG2 3.25Å; Q141-T145 PolarHBondContact O-N 3.12Å; Q141-T145 VanDerWaalsContact O-N 3.12Å; Q141-V354 HydrophobicContact CB-CG1 4.06Å; Q141-V354 HydrophobicContact CB-CG2 3.97Å; Q141-V354 HydrophobicContact CG-CG1 3.68Å; Q141-V354 HydrophobicContact CG-CG2 4.3Å
142A92.3Very high93.3Very high2 Ų227.9 Ų27.92%0.01716%0.161CC..Hα-helixtrans-61.6-41-179.600000113.2I140 L144 T145 L146 V156 C167 V169I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 HydrophobicContact CG2-CB 4.43Å; I140-A142 PolarHBondContact O-N 3.34Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.89Å; A142-T145 PolarHBondContact O-N 3.35Å; A142-T145 PolarHBondContact O-OG1 2.91Å; A142-L146 PolarHBondContact O-N 2.94Å; A142-V156 HydrophobicContact CB-CB 4.03Å; A142-V156 HydrophobicContact CB-CG1 4.37Å; A142-V156 HydrophobicContact CB-CG2 4.06Å; A142-V156 WeakPolarHBondContact O-CG2 3.32Å; A142-C167 HydrophobicContact CB-CB 3.53Å; A142-V169 HydrophobicContact CB-CG2 4.42Å
143V92.8Very high93.3Very high16 Ų1626.8 Ų26.810%0.09716%0.158CC..Hα-helixtrans-64.6-42.1179.5179.50000110.4I140 Q141 T145 L146 Y147 V169I140-V143 HydrophobicContact CB-CG2 4.11Å; I140-V143 HydrophobicContact CG2-CG2 4.39Å; I140-V143 PolarHBondContact O-N 2.91Å; I140-V143 VanDerWaalsContact O-N 3.12Å; Q141-V143 PolarHBondContact O-N 3.19Å; V143-T145 VanDerWaalsContact C-N 3.3Å; V143-T145 PolarHBondContact O-N 2.9Å; V143-L146 PolarHBondContact O-N 3.1Å; V143-Y147 HydrophobicContact CG1-CD1 4.4Å; V143-Y147 HydrophobicContact CG1-CD2 4.14Å; V143-Y147 HydrophobicContact CG1-CE1 3.94Å; V143-Y147 HydrophobicContact CG1-CE2 3.67Å; V143-Y147 HydrophobicContact CG1-CG 4.5Å; V143-Y147 PolarHBondContact O-N 2.74Å; V143-V169 HydrophobicContact CG2-CG1 4.34Å; V143-V169 HydrophobicContact CG2-CG2 4.3Å
144L94.3Very high93.3Very high2 Ų226.8 Ų26.81%0.0116%0.158CC..Hα-helixtrans-60.3-39.4175.9-66.1-178.7000112.5L108 T110 A139 I140 Q141 A142 L146 Y147 A148 V354 G357 L361L108-L144 HydrophobicContact CD2-CD1 4.25Å; T110-L144 HydrophobicContact CG2-CD1 3.52Å; A139-L144 HydrophobicContact CB-CD1 3.68Å; A139-L144 HydrophobicContact CB-CD2 3.79Å; A139-L144 HydrophobicContact CB-CG 3.77Å; I140-L144 PolarHBondContact O-N 3.49Å; Q141-L144 PolarHBondContact O-N 3.17Å; A142-L144 VanDerWaalsContact C-N 3.33Å; A142-L144 PolarHBondContact O-N 2.89Å; L144-L146 PolarHBondContact O-N 2.98Å; L144-Y147 PolarHBondContact O-N 2.72Å; L144-A148 PolarHBondContact O-N 3.27Å; L144-V354 HydrophobicContact CD1-CG1 4.41Å; L144-G357 WeakPolarHBondContact O-CA 3.34Å; L144-L361 HydrophobicContact CD2-CB 4.25Å; L144-L361 HydrophobicContact CD2-CD2 3.56Å
145T94.4Very high93.4Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-63.6-41.7179.460.30000112.2Q141 A142 V143 A148 V156 S304 M353 V354Q141-T145 WeakPolarHBondContact O-CG2 3.25Å; Q141-T145 PolarHBondContact O-N 3.12Å; Q141-T145 VanDerWaalsContact O-N 3.12Å; A142-T145 PolarHBondContact O-N 3.35Å; A142-T145 PolarHBondContact O-OG1 2.91Å; V143-T145 VanDerWaalsContact C-N 3.3Å; V143-T145 PolarHBondContact O-N 2.9Å; T145-A148 WeakPolarHBondContact O-CB 3.36Å; T145-A148 PolarHBondContact O-N 3.13Å; T145-V156 HydrophobicContact CG2-CG1 4.41Å; T145-V156 WeakPolarHBondContact OG1-CG1 3.47Å; T145-V156 WeakPolarHBondContact OG1-CG2 3.46Å; T145-S304 WeakPolarHBondContact CG2-OG 3.26Å; T145-M353 VanDerWaalsContact C-SD 3.56Å; T145-M353 WeakPolarHBondContact CA-SD 3.41Å; T145-M353 WeakPolarHBondContact CB-SD 3.4Å; T145-M353 HydrophobicContact CG2-CB 4.22Å; T145-M353 HydrophobicContact CG2-CE 4.48Å; T145-M353 HydrophobicContact CG2-SD 4.04Å; T145-V354 HydrophobicContact CG2-CB 4.42Å; T145-V354 HydrophobicContact CG2-CG2 3.55Å
146L93.6Very high93.5Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-68.3-39.7175.8-65.5179.8000111.9A142 V143 L144 A148 Q149 G150 L151 V156 V169 V302A142-L146 PolarHBondContact O-N 2.94Å; V143-L146 PolarHBondContact O-N 3.1Å; L144-L146 PolarHBondContact O-N 2.98Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 2.62Å; L146-Q149 CarbonylContact O-C 3.55Å; L146-Q149 WeakPolarHBondContact O-CA 3.3Å; L146-Q149 PolarHBondContact O-N 2.81Å; L146-G150 PolarHBondContact O-N 2.72Å; L146-L151 CarbonylContact C-O 3.41Å; L146-L151 VanDerWaalsContact C-O 3.29Å; L146-L151 HydrophobicContact CB-CB 4.21Å; L146-L151 WeakPolarHBondContact CB-O 3.26Å; L146-L151 HydrophobicContact CD2-CB 4.32Å; L146-L151 HydrophobicContact CD2-CD1 4.4Å; L146-L151 PolarHBondContact O-N 2.96Å; L146-V156 HydrophobicContact CD1-CG2 4.04Å; L146-V156 HydrophobicContact CD2-CG2 3.73Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; L146-V169 HydrophobicContact CD1-CB 3.41Å; L146-V169 VanDerWaalsContact CD1-CB 3.41Å; L146-V169 HydrophobicContact CD1-CG1 3.91Å; L146-V169 HydrophobicContact CD1-CG2 3.66Å; L146-V302 HydrophobicContact CD2-CB 3.92Å; L146-V302 HydrophobicContact CD2-CG2 3.58Å
147Y89.6Confident93.6Very high81 Ų8125.9 Ų25.932%0.31815%0.15SC..Hα-helixtrans-62.1-35.7176.1-72.2-1.9000112.7V143 L144 Q149 G150 L152 L361V143-Y147 HydrophobicContact CG1-CD1 4.4Å; V143-Y147 HydrophobicContact CG1-CD2 4.14Å; V143-Y147 HydrophobicContact CG1-CE1 3.94Å; V143-Y147 HydrophobicContact CG1-CE2 3.67Å; V143-Y147 HydrophobicContact CG1-CG 4.5Å; V143-Y147 PolarHBondContact O-N 2.74Å; L144-Y147 PolarHBondContact O-N 2.72Å; Y147-Q149 PolarHBondContact O-N 2.89Å; Y147-Q149 VanDerWaalsContact O-N 3.14Å; Y147-G150 PolarHBondContact O-N 3.02Å; Y147-L152 HydrophobicContact CD1-CD2 4.05Å; Y147-L152 HydrophobicContact CE1-CD2 3.5Å; Y147-L152 VanDerWaalsContact CE1-CD2 3.5Å; Y147-L361 HydrophobicContact CD2-CD1 4.4Å; Y147-L361 HydrophobicContact CD2-CD2 4.47Å
148A89.8Confident93.6Very high38 Ų3824.5 Ų24.531%0.31415%0.145SC..Hα-helixtrans-59.9-23.4173.900000113L144 T145 L146 M353L144-A148 PolarHBondContact O-N 3.27Å; T145-A148 WeakPolarHBondContact O-CB 3.36Å; T145-A148 PolarHBondContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 2.62Å; A148-M353 HydrophobicContact CB-CG 3.93Å; A148-M353 HydrophobicContact CB-SD 4.12Å
149Q89.9Confident93.7Very high65 Ų6524.3 Ų24.330%0.30415%0.145SC..THydrogen-bonded Turntrans-101.71178.1-68-123.266.200113.5L146 Y147 L151 E345 P347 M353L146-Q149 CarbonylContact O-C 3.55Å; L146-Q149 WeakPolarHBondContact O-CA 3.3Å; L146-Q149 PolarHBondContact O-N 2.81Å; Y147-Q149 PolarHBondContact O-N 2.89Å; Y147-Q149 VanDerWaalsContact O-N 3.14Å; Q149-L151 VanDerWaalsContact C-N 3.27Å; Q149-L151 HydrophobicContact CB-CD1 4.26Å; Q149-L151 HydrophobicContact CB-CG 4.2Å; Q149-L151 PolarHBondContact O-N 2.95Å; Q149-E345 PolarHBondContact NE2-OE2 2.9Å; Q149-E345 PolarHBondContact OE1-OE2 2.87Å; Q149-P347 VanDerWaalsContact CD-CG 3.44Å; Q149-P347 HydrophobicContact CG-CG 4.32Å; Q149-M353 HydrophobicContact CG-SD 4.18Å
150G89.6Confident93.8Very high68 Ų6825 Ų2570%0.70115%0.153SC*.THydrogen-bonded Turntrans69.523.7-174.400000113.6L146 Y147L146-G150 PolarHBondContact O-N 2.72Å; Y147-G150 PolarHBondContact O-N 3.02Å
151L92.9Very high93.8Very high29 Ų2924.3 Ų24.315%0.15215%0.15CC..  trans-103.2140.8177.3-62.1176.5000110.6L146 Q149 H300 V302L146-L151 CarbonylContact C-O 3.41Å; L146-L151 VanDerWaalsContact C-O 3.29Å; L146-L151 HydrophobicContact CB-CB 4.21Å; L146-L151 WeakPolarHBondContact CB-O 3.26Å; L146-L151 HydrophobicContact CD2-CB 4.32Å; L146-L151 HydrophobicContact CD2-CD1 4.4Å; L146-L151 PolarHBondContact O-N 2.96Å; Q149-L151 VanDerWaalsContact C-N 3.27Å; Q149-L151 HydrophobicContact CB-CD1 4.26Å; Q149-L151 HydrophobicContact CB-CG 4.2Å; Q149-L151 PolarHBondContact O-N 2.95Å; L151-H300 HydrophobicContact CD1-CB 4.32Å; L151-V302 HydrophobicContact CD1-CG2 3.88Å
152L92.1Very high93.7Very high100 Ų10023.6 Ų23.652%0.52415%0.147SC..SBendtrans-104.9-25.5172.6-61-179.5000112.3Y147 E171 G172Y147-L152 HydrophobicContact CD1-CD2 4.05Å; Y147-L152 HydrophobicContact CE1-CD2 3.5Å; Y147-L152 VanDerWaalsContact CE1-CD2 3.5Å; L152-E171 PolarHBondContact O-N 2.83Å; L152-G172 PolarHBondContact O-N 2.98Å
153T95.5Very high93.8Very high19 Ų1924 Ų2412%0.11715%0.149CC..SBendtrans-123.9136.1-179.3-620000109.3V169 Y170 E171 E296 F297T153-V169 CarbonylContact C-O 3.57Å; T153-V169 VanDerWaalsContact CA-O 3.31Å; T153-V169 WeakPolarHBondContact CA-O 3.33Å; T153-Y170 HydrophobicContact CG2-CD2 3.74Å; T153-Y170 HydrophobicContact CG2-CE2 4.34Å; T153-E171 PolarHBondContact OG1-N 3.2Å; T153-E296 HydrophobicContact CG2-CB 4.37Å; T153-E296 HydrophobicContact CG2-CG 3.73Å; T153-F297 HydrophobicContact CG2-CD1 4.14Å; T153-F297 HydrophobicContact CG2-CE1 3.83Å
154G96.9Very high93.9Very high0 Ų023.3 Ų23.30%015%0.145CC..EExtended strand (participates in β ladder)trans165.4-179.5179.900000112.6V169 H300G154-V169 PolarHBondContact N-O 3.27Å; G154-V169 PolarHBondContact O-N 3.14Å; G154-V169 VanDerWaalsContact O-O 3.11Å; G154-H300 CarbonylContact C-O 3.58Å; G154-H300 WeakPolarHBondContact CA-O 3.36Å
155V98.1Very high93.9Very high0 Ų023.4 Ų23.40%015%0.145CC..EExtended strand (participates in β ladder)trans-121.4121.4174.7-176.10000109.1I166 P168 L282 I286 F297 H300 I301 V302V155-I166 HydrophobicContact CG1-CG2 3.6Å; V155-P168 HydrophobicContact CG1-CG 4.46Å; V155-P168 HydrophobicContact CG2-CB 4.21Å; V155-P168 HydrophobicContact CG2-CG 4.38Å; V155-L282 HydrophobicContact CB-CD1 4.4Å; V155-L282 HydrophobicContact CG1-CD1 3.59Å; V155-I286 HydrophobicContact CG2-CD1 4.43Å; V155-I286 HydrophobicContact CG2-CG1 4.03Å; V155-F297 HydrophobicContact CG2-CB 3.59Å; V155-F297 HydrophobicContact CG2-CD1 3.75Å; V155-F297 HydrophobicContact CG2-CD2 4.1Å; V155-F297 HydrophobicContact CG2-CE1 4.45Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; V155-H300 PolarHBondContact N-O 3.23Å; V155-I301 CarbonylContact O-C 3.47Å; V155-I301 WeakPolarHBondContact O-CA 3.45Å; V155-V302 PolarHBondContact O-N 3.02Å
156V97.7Very high94.1Very high1 Ų123.4 Ų23.41%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-93.7126.5179.1-177.70000109A142 T145 L146 D158 I166 C167 V302A142-V156 HydrophobicContact CB-CB 4.03Å; A142-V156 HydrophobicContact CB-CG1 4.37Å; A142-V156 HydrophobicContact CB-CG2 4.06Å; A142-V156 WeakPolarHBondContact O-CG2 3.32Å; T145-V156 HydrophobicContact CG2-CG1 4.41Å; T145-V156 WeakPolarHBondContact OG1-CG1 3.47Å; T145-V156 WeakPolarHBondContact OG1-CG2 3.46Å; L146-V156 HydrophobicContact CD1-CG2 4.04Å; L146-V156 HydrophobicContact CD2-CG2 3.73Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; V156-D158 HydrophobicContact CG1-CB 4.11Å; V156-I166 WeakPolarHBondContact O-CA 3.46Å; V156-C167 PolarHBondContact N-O 3.03Å; V156-C167 PolarHBondContact O-N 3.5Å; V156-V302 WeakPolarHBondContact CA-O 3.17Å
157V97.8Very high94.2Very high3 Ų323.6 Ų23.62%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-101.796.8166.1-174.90000107.1T164 H165 V278 L282 I301 V302 L303 S304V157-T164 HydrophobicContact CG1-CG2 4.44Å; V157-H165 WeakPolarHBondContact CA-O 3.44Å; V157-V278 HydrophobicContact CG1-CG2 3.84Å; V157-L282 HydrophobicContact CG2-CD1 3.97Å; V157-L282 HydrophobicContact CG2-CD2 3.77Å; V157-L282 HydrophobicContact CG2-CG 4.45Å; V157-I301 HydrophobicContact CG2-CG2 4.11Å; V157-V302 PolarHBondContact N-O 2.84Å; V157-L303 HydrophobicContact CB-CD2 3.82Å; V157-L303 HydrophobicContact CG1-CD2 4.36Å; V157-L303 HydrophobicContact CG2-CD2 4.2Å; V157-S304 PolarHBondContact O-N 3.34Å
158D96.3Very high94.6Very high18 Ų1819.7 Ų19.710%0.09613%0.131CC..EExtended strand (participates in β ladder)trans-100.9107.2179.7-172.648.3000109.8V156 T164 H165 S304 G305V156-D158 HydrophobicContact CG1-CB 4.11Å; D158-T164 CarbonylContact O-C 3.57Å; D158-T164 VanDerWaalsContact O-CA 3.27Å; D158-T164 WeakPolarHBondContact O-CA 3.38Å; D158-H165 PolarHBondContact N-O 3.39Å; D158-H165 PolarHBondContact O-N 2.89Å; D158-S304 WeakPolarHBondContact CA-O 3.25Å; D158-S304 VanDerWaalsContact OD1-C 3.27Å; D158-S304 VanDerWaalsContact OD1-CB 3.23Å; D158-S304 WeakPolarHBondContact OD1-CB 3.43Å; D158-S304 PolarHBondContact OD1-OG 2.91Å; D158-G305 PolarHBondContact OD1-N 3.29Å
159S96.7Very high94.9Very high4 Ų418 Ų183%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-114.1104179.9-167.10000110.4T164 S304 G305 G306 S307S159-T164 WeakPolarHBondContact CB-OG1 3.21Å; S159-T164 PolarHBondContact OG-OG1 2.81Å; S159-S304 PolarHBondContact N-O 3.2Å; S159-G305 CarbonylContact O-C 3.54Å; S159-G305 WeakPolarHBondContact O-CA 3.49Å; S159-G306 PolarHBondContact O-N 3.18Å; S159-S307 WeakPolarHBondContact O-CB 3.42Å; S159-S307 PolarHBondContact O-N 3.06Å; S159-S307 VanDerWaalsContact OG-CB 3.28Å; S159-S307 WeakPolarHBondContact OG-CB 3.32Å
160G94.1Very high95.1Very high21 Ų2119.4 Ų19.422%0.21612%0.12CC..  trans-96.7-145.5-174.800000114.3V163 A185 G186 S307G160-V163 PolarHBondContact N-O 3.12Å; G160-V163 VanDerWaalsContact N-O 3.07Å; G160-A185 WeakPolarHBondContact O-CB 3.47Å; G160-G186 PolarHBondContact O-N 3.39Å; G160-S307 PolarHBondContact O-OG 3.22Å
161D93.1Very high95.2Very high27 Ų2722 Ų2214%0.14411%0.114CC..SBendtrans-83.7-44.7174.6-175.259.5000112.3G16 A185 G186 R187G16-D161 WeakPolarHBondContact CA-OD2 3.41Å; D161-A185 WeakPolarHBondContact O-CB 3.36Å; D161-G186 PolarHBondContact O-N 3.13Å; D161-G186 VanDerWaalsContact O-N 3.14Å; D161-R187 WeakPolarHBondContact O-CB 3.38Å; D161-R187 PolarHBondContact O-N 3.45Å; D161-R187 IonicContact OD2-CZ 3.87Å; D161-R187 IonicContact OD2-NE 3.47Å; D161-R187 PolarHBondContact OD2-NE 3.17Å; D161-R187 VanDerWaalsContact OD2-NE 3.12Å; D161-R187 IonicContact OD2-NH2 3.1Å; D161-R187 PolarHBondContact OD2-NH2 3.1Å
162G90.9Very high94.9Very high2 Ų221.2 Ų21.22%0.02111%0.112CC..SBendtrans-108.6-15-173.800000115.9N76N76-G162 PolarHBondContact OD1-O 3.45Å; N76-G162 VanDerWaalsContact OD1-O 3.05Å
163V92.9Very high94.7Very high11 Ų1123.9 Ų23.97%0.06712%0.12CC..  trans-154.5150-174.762.20000111.2N76 G160 H165 R181N76-V163 HydrophobicContact CB-CB 4.27Å; G160-V163 PolarHBondContact N-O 3.12Å; G160-V163 VanDerWaalsContact N-O 3.07Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.49Å; V163-H165 VanDerWaalsContact CG2-CE1 3.47Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.31Å; V163-R181 HydrophobicContact CG2-CG 3.45Å; V163-R181 VanDerWaalsContact CG2-CG 3.45Å
164T95.5Very high94.5Very high0 Ų024.3 Ų24.30%012%0.124CC..EExtended strand (participates in β ladder)trans-112127.6167.5-59.60000109.8V157 D158 S159 L182 I184 V278V157-T164 HydrophobicContact CG1-CG2 4.44Å; D158-T164 CarbonylContact O-C 3.57Å; D158-T164 VanDerWaalsContact O-CA 3.27Å; D158-T164 WeakPolarHBondContact O-CA 3.38Å; S159-T164 WeakPolarHBondContact CB-OG1 3.21Å; S159-T164 PolarHBondContact OG-OG1 2.81Å; T164-L182 PolarHBondContact N-O 2.94Å; T164-L182 PolarHBondContact O-N 2.9Å; T164-I184 WeakPolarHBondContact CB-O 3.16Å; T164-I184 PolarHBondContact OG1-O 2.84Å; T164-V278 HydrophobicContact CG2-CG2 4.24Å
165H95.3Very high94.3Very high5 Ų526.1 Ų26.12%0.02313%0.133CC..EExtended strand (participates in β ladder)trans-114.2142.7176.2-68.8105.1000111.1P113 V157 D158 V163P113-H165 HydrophobicContact CG-CB 4.03Å; V157-H165 WeakPolarHBondContact CA-O 3.44Å; D158-H165 PolarHBondContact N-O 3.39Å; D158-H165 PolarHBondContact O-N 2.89Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.49Å; V163-H165 VanDerWaalsContact CG2-CE1 3.47Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.31Å
166I97.3Very high93.8Very high0 Ų030.2 Ų30.20%016%0.16CC..EExtended strand (participates in β ladder)trans-116.3108.6168.7-56-173.4000106.8V155 V156 T179 R180 V278 L281 L282 T285V155-I166 HydrophobicContact CG1-CG2 3.6Å; V156-I166 WeakPolarHBondContact O-CA 3.46Å; I166-T179 WeakPolarHBondContact O-CA 3.43Å; I166-R180 PolarHBondContact N-O 3.4Å; I166-R180 PolarHBondContact O-N 2.88Å; I166-V278 HydrophobicContact CD1-CG2 4.47Å; I166-L281 HydrophobicContact CD1-CB 3.78Å; I166-L281 HydrophobicContact CD1-CD2 3.88Å; I166-L281 HydrophobicContact CD1-CG 3.77Å; I166-L281 HydrophobicContact CG1-CD2 4.36Å; I166-L282 VanDerWaalsContact CD1-CA 3.49Å; I166-L282 HydrophobicContact CD1-CB 3.74Å; I166-L282 HydrophobicContact CD1-CD1 4.47Å; I166-L282 VanDerWaalsContact CD1-N 3.28Å; I166-L282 HydrophobicContact CG2-CD1 3.69Å; I166-T285 HydrophobicContact CG2-CG2 3.85Å
167C96.6Very high93.5Very high3 Ų336.5 Ų36.52%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-122.7105.9-171.9-168.80000110.3P113 A142 V156 T179P113-C167 HydrophobicContact CG-CB 4.29Å; A142-C167 HydrophobicContact CB-CB 3.53Å; V156-C167 PolarHBondContact N-O 3.03Å; V156-C167 PolarHBondContact O-N 3.5Å; C167-T179 HydrophobicContact CB-CG2 4.3Å; C167-T179 PolarHBondContact SG-OG1 2.95Å
168P97Very high93.4Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-70.6136.5168.2-20.335.3000111V155 L175 L178 T285 F297V155-P168 HydrophobicContact CG1-CG 4.46Å; V155-P168 HydrophobicContact CG2-CB 4.21Å; V155-P168 HydrophobicContact CG2-CG 4.38Å; P168-L175 HydrophobicContact CB-CB 4.46Å; P168-L175 HydrophobicContact CB-CD1 4.22Å; P168-L175 PolarHBondContact O-N 3.18Å; P168-L178 HydrophobicContact CG-CB 3.91Å; P168-T285 HydrophobicContact CG-CG2 3.48Å; P168-T285 VanDerWaalsContact CG-CG2 3.48Å; P168-F297 HydrophobicContact CB-CE1 4.46Å; P168-F297 HydrophobicContact CB-CE2 4.11Å; P168-F297 HydrophobicContact CB-CZ 3.95Å
169V95.8Very high93.3Very high1 Ų136.4 Ų36.41%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-128.9133.7175.4-177.10000107.6A142 V143 L146 T153 G154 F173 F297A142-V169 HydrophobicContact CB-CG2 4.42Å; V143-V169 HydrophobicContact CG2-CG1 4.34Å; V143-V169 HydrophobicContact CG2-CG2 4.3Å; L146-V169 HydrophobicContact CD1-CB 3.41Å; L146-V169 VanDerWaalsContact CD1-CB 3.41Å; L146-V169 HydrophobicContact CD1-CG1 3.91Å; L146-V169 HydrophobicContact CD1-CG2 3.66Å; T153-V169 CarbonylContact C-O 3.57Å; T153-V169 VanDerWaalsContact CA-O 3.31Å; T153-V169 WeakPolarHBondContact CA-O 3.33Å; G154-V169 PolarHBondContact N-O 3.27Å; G154-V169 PolarHBondContact O-N 3.14Å; G154-V169 VanDerWaalsContact O-O 3.11Å; V169-F173 CarbonylContact C-O 3.6Å; V169-F173 WeakPolarHBondContact CA-O 3.38Å; V169-F297 WeakPolarHBondContact O-CE1 3.39Å
170Y94.9Very high93.3Very high95 Ų9541.7 Ų41.737%0.37321%0.208SC..EExtended strand (participates in β ladder)trans-127.9123.4178.3-175.4-98.2000109.3T153 G172 F173 T293T153-Y170 HydrophobicContact CG2-CD2 3.74Å; T153-Y170 HydrophobicContact CG2-CE2 4.34Å; Y170-G172 PolarHBondContact O-N 3.36Å; Y170-G172 VanDerWaalsContact O-N 3.12Å; Y170-F173 PolarHBondContact N-O 3.32Å; Y170-F173 PolarHBondContact O-N 3.38Å; Y170-T293 HydrophobicContact CD2-CG2 3.99Å; Y170-T293 HydrophobicContact CE2-CG2 3.77Å
171E91.8Very high93.2Very high123 Ų12344.4 Ų44.458%0.57521%0.211SC*.THydrogen-bonded Turntrans49.538.4-178.9-62-168.1158.100114L152 T153 F173L152-E171 PolarHBondContact O-N 2.83Å; T153-E171 PolarHBondContact OG1-N 3.2Å; E171-F173 VanDerWaalsContact C-N 3.31Å; E171-F173 WeakPolarHBondContact O-CD2 3.4Å; E171-F173 PolarHBondContact O-N 2.93Å
172G86.8Confident93.2Very high12 Ų1243.5 Ų43.512%0.12421%0.207CC..THydrogen-bonded Turntrans84.9-4.9-179.900000115.1L152 Y170L152-G172 PolarHBondContact O-N 2.98Å; Y170-G172 PolarHBondContact O-N 3.36Å; Y170-G172 VanDerWaalsContact O-N 3.12Å
173F88.3Confident93.2Very high156 Ų15647.2 Ų47.268%0.68423%0.226SC*.EExtended strand (participates in β ladder)trans-99.6122.4176-60.9-81000110.8V169 Y170 E171V169-F173 CarbonylContact C-O 3.6Å; V169-F173 WeakPolarHBondContact CA-O 3.38Å; Y170-F173 PolarHBondContact N-O 3.32Å; Y170-F173 PolarHBondContact O-N 3.38Å; E171-F173 VanDerWaalsContact C-N 3.31Å; E171-F173 WeakPolarHBondContact O-CD2 3.4Å; E171-F173 PolarHBondContact O-N 2.93Å
174S90.8Very high93.3Very high28 Ų2846.7 Ų46.720%0.19622%0.223CC..EExtended strand (participates in β ladder)trans-62.8147168.762.40000109.9I140 P176I140-S174 WeakPolarHBondContact CD1-OG 3.08Å; S174-P176 VanDerWaalsContact O-CD 3.24Å; S174-P176 WeakPolarHBondContact O-CD 3.35Å
175L91.9Very high93.3Very high39 Ų3946.7 Ų46.720%0.20422%0.223CC..  trans-104.793.4176-57.7179.7000110P168 H177 L178 T179 F297P168-L175 HydrophobicContact CB-CB 4.46Å; P168-L175 HydrophobicContact CB-CD1 4.22Å; P168-L175 PolarHBondContact O-N 3.18Å; L175-H177 VanDerWaalsContact C-N 3.31Å; L175-H177 PolarHBondContact O-N 2.98Å; L175-L178 HydrophobicContact CB-CB 4.32Å; L175-L178 HydrophobicContact CB-CD1 4.36Å; L175-L178 HydrophobicContact CD1-CD1 3.82Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-T179 PolarHBondContact O-N 2.78Å; L175-T179 VanDerWaalsContact O-N 3.13Å; L175-T179 PolarHBondContact O-OG1 3.12Å; L175-F297 HydrophobicContact CD1-CZ 4.07Å
176P89.5Confident93.3Very high85 Ų8546.5 Ų46.555%0.55222%0.222SC*.THydrogen-bonded Turntrans-61.9-36.8-173.9-25.335.6000113.3S174 L178 T179S174-P176 VanDerWaalsContact O-CD 3.24Å; S174-P176 WeakPolarHBondContact O-CD 3.35Å; P176-L178 PolarHBondContact O-N 3.02Å; P176-T179 PolarHBondContact O-N 3.03Å
177H91Very high93.2Very high134 Ų13448.3 Ų48.362%0.6223%0.229SC*.THydrogen-bonded Turntrans-68.3-21.2-17863.4-83.5000113.6L175L175-H177 VanDerWaalsContact C-N 3.31Å; L175-H177 PolarHBondContact O-N 2.98Å
178L94.9Very high93.1Very high12 Ų1250.1 Ų50.16%0.06324%0.238CC..THydrogen-bonded Turntrans-99.5-13.1174.1-64.3178.2000113.1P168 L175 P176 R180 T285 A288 A289P168-L178 HydrophobicContact CG-CB 3.91Å; L175-L178 HydrophobicContact CB-CB 4.32Å; L175-L178 HydrophobicContact CB-CD1 4.36Å; L175-L178 HydrophobicContact CD1-CD1 3.82Å; L175-L178 PolarHBondContact O-N 3.5Å; P176-L178 PolarHBondContact O-N 3.02Å; L178-R180 PolarHBondContact O-N 3.49Å; L178-T285 VanDerWaalsContact O-CG2 3.26Å; L178-T285 WeakPolarHBondContact O-CG2 2.99Å; L178-A288 HydrophobicContact CD2-CB 3.8Å; L178-A289 HydrophobicContact CD1-CB 3.73Å
179T95Very high93.1Very high6 Ų650.1 Ų50.14%0.03724%0.238CC..  trans-65.3127.2-178.4-63.90000109.7P113 M114 I166 C167 L175 P176P113-T179 HydrophobicContact CB-CG2 3.64Å; P113-T179 HydrophobicContact CG-CG2 4.49Å; M114-T179 HydrophobicContact CE-CG2 4.28Å; M114-T179 HydrophobicContact CG-CG2 4.27Å; I166-T179 WeakPolarHBondContact O-CA 3.43Å; C167-T179 HydrophobicContact CB-CG2 4.3Å; C167-T179 PolarHBondContact SG-OG1 2.95Å; L175-T179 PolarHBondContact O-N 2.78Å; L175-T179 VanDerWaalsContact O-N 3.13Å; L175-T179 PolarHBondContact O-OG1 3.12Å; P176-T179 PolarHBondContact O-N 3.03Å
180R95.1Very high93.2Very high115 Ų11550 Ų5043%0.43424%0.238SC..EExtended strand (participates in β ladder)trans-115.7152.4177.3-60.1-56.8-177.7-156.1-1.9110.5I166 L178 L281 T285I166-R180 PolarHBondContact N-O 3.4Å; I166-R180 PolarHBondContact O-N 2.88Å; L178-R180 PolarHBondContact O-N 3.49Å; R180-L281 HydrophobicContact CB-CD1 3.91Å; R180-L281 HydrophobicContact CB-CD2 4.12Å; R180-L281 HydrophobicContact CB-CG 3.99Å; R180-L281 HydrophobicContact CG-CD1 4.21Å; R180-T285 HydrophobicContact CG-CG2 4.48Å; R180-T285 WeakPolarHBondContact CG-OG1 3.37Å
181R92.8Very high93.2Very high79 Ų7952 Ų5230%0.29824%0.244SC..EExtended strand (participates in β ladder)trans-126.6136.7-179177.8172.6159.4179-15.6109N76 M114 V163 D183N76-R181 PolarHBondContact ND2-NH2 3.45Å; M114-R181 HydrophobicContact CE-CB 4.14Å; V163-R181 HydrophobicContact CG2-CG 3.45Å; V163-R181 VanDerWaalsContact CG2-CG 3.45Å; R181-D183 IonicContact CZ-OD1 2.74Å; R181-D183 IonicContact NE-OD1 2.79Å; R181-D183 PolarHBondContact NE-OD1 2.89Å; R181-D183 IonicContact NH2-OD1 2.74Å; R181-D183 PolarHBondContact NH2-OD1 3.02Å; R181-D183 IonicContact NH2-OD2 3.2Å
182L93.3Very high93.4Very high8 Ų847.4 Ų47.44%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-117.2121170.1-179.468.4000107.5T164 I184 P268 V278 L281T164-L182 PolarHBondContact N-O 2.94Å; T164-L182 PolarHBondContact O-N 2.9Å; L182-I184 HydrophobicContact CD1-CD1 4.14Å; L182-I184 HydrophobicContact CD1-CG1 4.18Å; L182-I184 HydrophobicContact CD2-CB 4.13Å; L182-I184 HydrophobicContact CD2-CD1 4.49Å; L182-I184 HydrophobicContact CD2-CG1 4.49Å; L182-I184 HydrophobicContact CG-CB 3.98Å; L182-I184 HydrophobicContact CG-CD1 4.34Å; L182-I184 HydrophobicContact CG-CG1 4.04Å; L182-I184 PolarHBondContact O-N 3.27Å; L182-P268 HydrophobicContact CD1-CG 4.26Å; L182-V278 HydrophobicContact CD2-CB 4.33Å; L182-L281 HydrophobicContact CB-CD2 3.84Å
183D91.4Very high93.9Very high79 Ų7946.8 Ų46.842%0.42222%0.216SC..SBendtrans-79.647.8177.5-71.3-31.3000111.4R181R181-D183 IonicContact CZ-OD1 2.74Å; R181-D183 IonicContact NE-OD1 2.79Å; R181-D183 PolarHBondContact NE-OD1 2.89Å; R181-D183 IonicContact NH2-OD1 2.74Å; R181-D183 PolarHBondContact NH2-OD1 3.02Å; R181-D183 IonicContact NH2-OD2 3.2Å
184I94.6Very high94.3Very high0 Ų039.4 Ų39.40%018%0.184CC..  trans-139124.9174.5-53.1-177.6000107.7T164 L182 D188 A264 L265 P268 I271 V273T164-I184 WeakPolarHBondContact CB-O 3.16Å; T164-I184 PolarHBondContact OG1-O 2.84Å; L182-I184 HydrophobicContact CD1-CD1 4.14Å; L182-I184 HydrophobicContact CD1-CG1 4.18Å; L182-I184 HydrophobicContact CD2-CB 4.13Å; L182-I184 HydrophobicContact CD2-CD1 4.49Å; L182-I184 HydrophobicContact CD2-CG1 4.49Å; L182-I184 HydrophobicContact CG-CB 3.98Å; L182-I184 HydrophobicContact CG-CD1 4.34Å; L182-I184 HydrophobicContact CG-CG1 4.04Å; L182-I184 PolarHBondContact O-N 3.27Å; I184-D188 WeakPolarHBondContact CA-OD2 3.29Å; I184-D188 HydrophobicContact CG2-CB 4.29Å; I184-A264 WeakPolarHBondContact CD1-O 3.35Å; I184-L265 HydrophobicContact CG2-CD2 4.02Å; I184-P268 HydrophobicContact CD1-CB 3.53Å; I184-P268 HydrophobicContact CD1-CG 3.75Å; I184-I271 HydrophobicContact CD1-CD1 3.87Å; I184-I271 HydrophobicContact CD1-CG1 4.33Å; I184-I271 HydrophobicContact CG1-CD1 3.94Å; I184-I271 HydrophobicContact CG2-CD1 3.97Å; I184-V273 HydrophobicContact CD1-CB 4.02Å; I184-V273 HydrophobicContact CD1-CG1 3.97Å; I184-V273 HydrophobicContact CD1-CG2 4.42Å; I184-V273 HydrophobicContact CG1-CB 4.29Å; I184-V273 HydrophobicContact CG1-CG1 3.99Å; I184-V273 HydrophobicContact CG1-CG2 4.29Å
185A95.4Very high94.5Very high0 Ų042.4 Ų42.40%019%0.193CC..SBendtrans-154.3-155.7176.100000111.8G160 D161 R187 D188 I189G160-A185 WeakPolarHBondContact O-CB 3.47Å; D161-A185 WeakPolarHBondContact O-CB 3.36Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 2.77Å; A185-D188 PolarHBondContact N-OD2 3.13Å; A185-D188 PolarHBondContact O-N 2.89Å; A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.49Å; A185-I189 PolarHBondContact O-N 2.89Å; A185-I189 VanDerWaalsContact O-N 3.1Å
186G95.7Very high94.7Very high1 Ų141.2 Ų41.21%0.0119%0.187CC..Hα-helixtrans-58.7-36.5-172.100000114.4G160 D161 T190 K217 S307G160-G186 PolarHBondContact O-N 3.39Å; D161-G186 PolarHBondContact O-N 3.13Å; D161-G186 VanDerWaalsContact O-N 3.14Å; G186-T190 PolarHBondContact O-N 2.9Å; G186-T190 PolarHBondContact O-OG1 2.88Å; G186-K217 PolarHBondContact O-NZ 3.25Å; G186-S307 WeakPolarHBondContact CA-OG 3.43Å; G186-S307 PolarHBondContact N-OG 3.44Å; G186-S307 VanDerWaalsContact N-OG 3.12Å
187R93.9Very high94.9Very high39 Ų3937.1 Ų37.115%0.14716%0.161CC..Hα-helixtrans-68.7-43.2-179.8-177.9173.3-63.6-151.10111.4D161 A185 T190 R191 F210D161-R187 WeakPolarHBondContact O-CB 3.38Å; D161-R187 PolarHBondContact O-N 3.45Å; D161-R187 IonicContact OD2-CZ 3.87Å; D161-R187 IonicContact OD2-NE 3.47Å; D161-R187 PolarHBondContact OD2-NE 3.17Å; D161-R187 VanDerWaalsContact OD2-NE 3.12Å; D161-R187 IonicContact OD2-NH2 3.1Å; D161-R187 PolarHBondContact OD2-NH2 3.1Å; A185-R187 VanDerWaalsContact C-N 3.3Å; A185-R187 PolarHBondContact O-N 2.77Å; R187-T190 PolarHBondContact O-N 3.2Å; R187-R191 WeakPolarHBondContact O-CG 3.27Å; R187-R191 PolarHBondContact O-N 3.37Å; R187-F210 HydrophobicContact CB-CZ 4.45Å; R187-F210 HydrophobicContact CG-CE2 4.29Å; R187-F210 HydrophobicContact CG-CZ 3.86Å
188D95.5Very high95.1Very high40 Ų4034.9 Ų34.921%0.21415%0.152CC..Hα-helixtrans-67.9-40.8179.7-49.8-62.7000110.9I184 A185 T190 R191 Y192 I271I184-D188 WeakPolarHBondContact CA-OD2 3.29Å; I184-D188 HydrophobicContact CG2-CB 4.29Å; A185-D188 PolarHBondContact N-OD2 3.13Å; A185-D188 PolarHBondContact O-N 2.89Å; D188-T190 VanDerWaalsContact C-N 3.35Å; D188-T190 PolarHBondContact O-N 2.81Å; D188-R191 PolarHBondContact O-N 3.44Å; D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 2.94Å; D188-I271 HydrophobicContact CB-CD1 4.02Å
189I97.3Very high95Very high0 Ų040.9 Ų40.90%018%0.184CC..Hα-helixtrans-62.7-42.3174.2-60.2162.8000110.8A185 R191 Y192 L193 K217 A261 P262 L265 Y310A185-I189 VanDerWaalsContact O-CG1 3.29Å; A185-I189 WeakPolarHBondContact O-CG1 3.49Å; A185-I189 PolarHBondContact O-N 2.89Å; A185-I189 VanDerWaalsContact O-N 3.1Å; I189-R191 PolarHBondContact O-N 2.83Å; I189-Y192 PolarHBondContact O-N 3.21Å; I189-L193 WeakPolarHBondContact O-CB 3.22Å; I189-L193 PolarHBondContact O-N 2.69Å; I189-K217 HydrophobicContact CB-CD 4.22Å; I189-K217 HydrophobicContact CG2-CD 3.81Å; I189-K217 HydrophobicContact CG2-CG 4.18Å; I189-A261 HydrophobicContact CG2-CB 4.09Å; I189-P262 HydrophobicContact CG2-CG 4.47Å; I189-L265 HydrophobicContact CD1-CD1 3.76Å; I189-L265 HydrophobicContact CD1-CD2 4.09Å; I189-L265 HydrophobicContact CD1-CG 3.75Å; I189-L265 HydrophobicContact CG1-CG 4.47Å; I189-Y310 HydrophobicContact CD1-CE2 3.84Å; I189-Y310 WeakPolarHBondContact CG2-OH 3.23Å
190T96.8Very high94.8Very high0 Ų045 Ų450%020%0.199CC..Hα-helixtrans-60.4-45.6174.2-60.70000110.8G186 R187 D188 Y192 L193 I194 F210 V213 R214 K217G186-T190 PolarHBondContact O-N 2.9Å; G186-T190 PolarHBondContact O-OG1 2.88Å; R187-T190 PolarHBondContact O-N 3.2Å; D188-T190 VanDerWaalsContact C-N 3.35Å; D188-T190 PolarHBondContact O-N 2.81Å; T190-Y192 VanDerWaalsContact C-N 3.3Å; T190-Y192 PolarHBondContact O-N 2.72Å; T190-L193 PolarHBondContact O-N 2.91Å; T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 3.08Å; T190-I194 VanDerWaalsContact O-N 3.08Å; T190-F210 HydrophobicContact CG2-CD1 4.44Å; T190-F210 HydrophobicContact CG2-CD2 3.82Å; T190-F210 HydrophobicContact CG2-CE1 4.16Å; T190-F210 HydrophobicContact CG2-CE2 3.48Å; T190-F210 VanDerWaalsContact CG2-CE2 3.48Å; T190-F210 HydrophobicContact CG2-CG 4.27Å; T190-F210 HydrophobicContact CG2-CZ 3.67Å; T190-F210 WeakPolarHBondContact CG2-O 3.45Å; T190-V213 HydrophobicContact CG2-CB 4.38Å; T190-V213 HydrophobicContact CG2-CG1 4.31Å; T190-R214 HydrophobicContact CG2-CB 4.04Å; T190-K217 WeakPolarHBondContact OG1-CD 3.5Å; T190-K217 PolarHBondContact OG1-NZ 3.4Å; T190-K217 VanDerWaalsContact OG1-NZ 3.08Å
191R94.9Very high94.7Very high135 Ų13542.6 Ų42.651%0.50921%0.21SC..Hα-helixtrans-62.3-38.5177.3-70.1-179-174.6-147.10.1112.2R187 D188 I189 I194 K195 F210R187-R191 WeakPolarHBondContact O-CG 3.27Å; R187-R191 PolarHBondContact O-N 3.37Å; D188-R191 PolarHBondContact O-N 3.44Å; I189-R191 PolarHBondContact O-N 2.83Å; R191-I194 WeakPolarHBondContact O-CB 3.29Å; R191-I194 PolarHBondContact O-N 3.39Å; R191-K195 PolarHBondContact O-N 2.98Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.91Å
192Y96.8Very high94.7Very high27 Ų2741.9 Ų41.911%0.10621%0.207CC..Hα-helixtrans-68.8-40.8178.2-174-142.3000111.7D188 I189 T190 I194 K195 L196 E260 A261 A264 L270 I271D188-Y192 WeakPolarHBondContact O-CB 3.37Å; D188-Y192 PolarHBondContact O-N 2.94Å; I189-Y192 PolarHBondContact O-N 3.21Å; T190-Y192 VanDerWaalsContact C-N 3.3Å; T190-Y192 PolarHBondContact O-N 2.72Å; Y192-I194 VanDerWaalsContact C-N 3.3Å; Y192-I194 PolarHBondContact O-N 3.21Å; Y192-K195 HydrophobicContact CD2-CB 4.49Å; Y192-K195 HydrophobicContact CD2-CD 4.41Å; Y192-K195 WeakPolarHBondContact O-CA 3.27Å; Y192-K195 WeakPolarHBondContact O-CB 3.35Å; Y192-K195 PolarHBondContact O-N 3.24Å; Y192-L196 HydrophobicContact CD1-CD1 4.23Å; Y192-L196 HydrophobicContact CD2-CG 4.23Å; Y192-L196 HydrophobicContact CE1-CD1 3.96Å; Y192-L196 HydrophobicContact CE1-CG 4.48Å; Y192-L196 HydrophobicContact CE2-CD1 4.3Å; Y192-L196 HydrophobicContact CE2-CD2 3.89Å; Y192-L196 HydrophobicContact CE2-CG 3.93Å; Y192-L196 WeakPolarHBondContact O-CG 3.33Å; Y192-L196 PolarHBondContact O-N 3.29Å; Y192-E260 WeakPolarHBondContact CE1-O 3.37Å; Y192-A261 HydrophobicContact CD1-CB 4.41Å; Y192-A264 HydrophobicContact CD1-CB 3.94Å; Y192-A264 HydrophobicContact CE1-CB 4.31Å; Y192-L270 HydrophobicContact CE1-CB 4.17Å; Y192-L270 HydrophobicContact CE1-CD1 4.36Å; Y192-I271 HydrophobicContact CD1-CG2 3.87Å; Y192-I271 HydrophobicContact CD2-CG2 3.69Å; Y192-I271 HydrophobicContact CE1-CG2 4.46Å; Y192-I271 HydrophobicContact CE2-CG2 4.31Å; Y192-I271 HydrophobicContact CG-CG2 3.46Å; Y192-I271 VanDerWaalsContact CG-CG2 3.46Å
193L97.1Very high94.5Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-59.4-40.7173.4-176.258.1000111.9I189 T190 K195 L196 L197 V213 K217 E257 A261I189-L193 WeakPolarHBondContact O-CB 3.22Å; I189-L193 PolarHBondContact O-N 2.69Å; T190-L193 PolarHBondContact O-N 2.91Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.83Å; L193-L196 PolarHBondContact O-N 3.21Å; L193-L197 HydrophobicContact CD1-CD1 4.32Å; L193-L197 HydrophobicContact CD1-CG 4.19Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 HydrophobicContact CG-CG 4.39Å; L193-L197 WeakPolarHBondContact O-CB 3.38Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.29Å; L193-L197 PolarHBondContact O-N 2.96Å; L193-V213 HydrophobicContact CB-CG1 3.94Å; L193-V213 HydrophobicContact CD2-CG1 3.64Å; L193-V213 HydrophobicContact CG-CG1 3.68Å; L193-K217 HydrophobicContact CD2-CB 3.78Å; L193-K217 HydrophobicContact CD2-CG 4.49Å; L193-E257 HydrophobicContact CD1-CB 3.95Å; L193-A261 HydrophobicContact CB-CB 3.89Å; L193-A261 HydrophobicContact CD1-CB 4.04Å; L193-A261 HydrophobicContact CG-CB 4.48Å
194I96Very high94.3Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-57-46.4173.1-64.5169000110.5T190 R191 Y192 L196 L197 L198 F204 F210 V213T190-I194 WeakPolarHBondContact O-CG1 3.45Å; T190-I194 PolarHBondContact O-N 3.08Å; T190-I194 VanDerWaalsContact O-N 3.08Å; R191-I194 WeakPolarHBondContact O-CB 3.29Å; R191-I194 PolarHBondContact O-N 3.39Å; Y192-I194 VanDerWaalsContact C-N 3.3Å; Y192-I194 PolarHBondContact O-N 3.21Å; I194-L196 PolarHBondContact O-N 2.85Å; I194-L197 PolarHBondContact O-N 2.94Å; I194-L198 WeakPolarHBondContact O-CB 3.38Å; I194-L198 PolarHBondContact O-N 3.15Å; I194-F204 HydrophobicContact CG2-CB 3.99Å; I194-F210 HydrophobicContact CD1-CD2 4.05Å; I194-V213 HydrophobicContact CD1-CB 4.43Å; I194-V213 HydrophobicContact CG1-CB 3.81Å; I194-V213 HydrophobicContact CG1-CG1 3.67Å; I194-V213 HydrophobicContact CG1-CG2 3.9Å
195K95.1Very high93.8Very high92 Ų9247.7 Ų47.740%0.425%0.251SS..Hα-helixtrans-62.1-42.6178.2-174.9-177.5177-173.50111.8R191 Y192 L193 L198 L199R191-K195 PolarHBondContact O-N 2.98Å; Y192-K195 HydrophobicContact CD2-CB 4.49Å; Y192-K195 HydrophobicContact CD2-CD 4.41Å; Y192-K195 WeakPolarHBondContact O-CA 3.27Å; Y192-K195 WeakPolarHBondContact O-CB 3.35Å; Y192-K195 PolarHBondContact O-N 3.24Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.83Å; K195-L198 WeakPolarHBondContact O-CB 3.38Å; K195-L198 PolarHBondContact O-N 3.44Å; K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 2.91Å; K195-L199 VanDerWaalsContact O-N 3.08Å
196L95.9Very high92.9Very high13 Ų1352.3 Ų52.37%0.06827%0.273CS..Hα-helixtrans-65.2-44.1177.9-67.9173.6000111.9Y192 L193 I194 L198 L199 R200 E257 E260 A261Y192-L196 HydrophobicContact CD1-CD1 4.23Å; Y192-L196 HydrophobicContact CD2-CG 4.23Å; Y192-L196 HydrophobicContact CE1-CD1 3.96Å; Y192-L196 HydrophobicContact CE1-CG 4.48Å; Y192-L196 HydrophobicContact CE2-CD1 4.3Å; Y192-L196 HydrophobicContact CE2-CD2 3.89Å; Y192-L196 HydrophobicContact CE2-CG 3.93Å; Y192-L196 WeakPolarHBondContact O-CG 3.33Å; Y192-L196 PolarHBondContact O-N 3.29Å; L193-L196 PolarHBondContact O-N 3.21Å; I194-L196 PolarHBondContact O-N 2.85Å; L196-L198 VanDerWaalsContact C-N 3.27Å; L196-L198 PolarHBondContact O-N 3.28Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 3.05Å; L196-R200 PolarHBondContact O-N 3.18Å; L196-R200 VanDerWaalsContact O-N 3.09Å; L196-E257 HydrophobicContact CB-CB 4.09Å; L196-E257 HydrophobicContact CB-CG 3.85Å; L196-E257 HydrophobicContact CD1-CB 4.23Å; L196-E260 HydrophobicContact CD1-CB 3.82Å; L196-A261 HydrophobicContact CD1-CB 4.01Å
197L95.4Very high91.9Very high0 Ų056.3 Ų56.30%030%0.3CS..Hα-helixtrans-63.8-34.7176.2-67171000112L193 I194 R200 G201 Y202 F204 V213 M216 V254L193-L197 HydrophobicContact CD1-CD1 4.32Å; L193-L197 HydrophobicContact CD1-CG 4.19Å; L193-L197 HydrophobicContact CG-CD1 4.05Å; L193-L197 HydrophobicContact CG-CG 4.39Å; L193-L197 WeakPolarHBondContact O-CB 3.38Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.29Å; L193-L197 PolarHBondContact O-N 2.96Å; I194-L197 PolarHBondContact O-N 2.94Å; L197-R200 WeakPolarHBondContact O-CB 3.08Å; L197-R200 PolarHBondContact O-N 3.05Å; L197-G201 PolarHBondContact O-N 2.75Å; L197-Y202 HydrophobicContact CB-CD2 4.47Å; L197-Y202 HydrophobicContact CD2-CD2 4.13Å; L197-Y202 WeakPolarHBondContact O-CB 3.4Å; L197-Y202 PolarHBondContact O-N 3.11Å; L197-F204 HydrophobicContact CB-CD2 3.75Å; L197-F204 HydrophobicContact CB-CE2 4.04Å; L197-F204 HydrophobicContact CD1-CD2 3.93Å; L197-F204 HydrophobicContact CD1-CE2 3.76Å; L197-F204 HydrophobicContact CG-CD2 4.48Å; L197-F204 HydrophobicContact CG-CE2 4.41Å; L197-V213 HydrophobicContact CD1-CG1 4.19Å; L197-V213 HydrophobicContact CD1-CG2 4.29Å; L197-M216 HydrophobicContact CD1-CE 4.16Å; L197-M216 HydrophobicContact CD1-SD 3.7Å; L197-V254 HydrophobicContact CD2-CG1 4.28Å; L197-V254 HydrophobicContact CD2-CG2 4.39Å
198L94Very high91.1Very high86 Ų8658 Ų5845%0.4532%0.323SS..Hα-helixtrans-63.7-43.1173.5-172.569.1000111.9I194 K195 L196 R200 G201 Y202I194-L198 WeakPolarHBondContact O-CB 3.38Å; I194-L198 PolarHBondContact O-N 3.15Å; K195-L198 WeakPolarHBondContact O-CB 3.38Å; K195-L198 PolarHBondContact O-N 3.44Å; L196-L198 VanDerWaalsContact C-N 3.27Å; L196-L198 PolarHBondContact O-N 3.28Å; L198-R200 PolarHBondContact O-N 2.9Å; L198-G201 WeakPolarHBondContact O-CA 3.24Å; L198-G201 PolarHBondContact O-N 3.44Å; L198-Y202 WeakPolarHBondContact CA-O 3.29Å
199L93Very high90.6Very high139 Ų13958.3 Ų58.373%0.72833%0.325SS*.Hα-helixtrans-63.2-29.3175-67.8172.9000112.5K195 L196 G201K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 2.91Å; K195-L199 VanDerWaalsContact O-N 3.08Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 3.05Å; L199-G201 PolarHBondContact O-N 2.98Å
200R91.2Very high90.2Very high93 Ų9359.1 Ų59.135%0.35133%0.328SS..THydrogen-bonded Turntrans-74.8-9.5172.8-151.2-164.5-172.21377113.8L196 L197 L198 Y202 K253 V254 E257L196-R200 PolarHBondContact O-N 3.18Å; L196-R200 VanDerWaalsContact O-N 3.09Å; L197-R200 WeakPolarHBondContact O-CB 3.08Å; L197-R200 PolarHBondContact O-N 3.05Å; L198-R200 PolarHBondContact O-N 2.9Å; R200-Y202 HydrophobicContact CB-CD2 4.42Å; R200-K253 VanDerWaalsContact CZ-O 3.26Å; R200-K253 PolarHBondContact NH1-O 2.78Å; R200-V254 VanDerWaalsContact NH1-CA 3.3Å; R200-E257 WeakPolarHBondContact CD-OE1 3.03Å; R200-E257 IonicContact CZ-OE1 3.35Å; R200-E257 IonicContact CZ-OE2 3.78Å; R200-E257 IonicContact NE-OE1 3.48Å; R200-E257 PolarHBondContact NE-OE1 3.15Å; R200-E257 IonicContact NH1-OE1 2.9Å; R200-E257 PolarHBondContact NH1-OE1 3.1Å; R200-E257 IonicContact NH1-OE2 2.75Å; R200-E257 PolarHBondContact NH1-OE2 3.15Å
201G92.5Very high89.8Confident64 Ų6461.7 Ų61.766%0.6634%0.34SS*.THydrogen-bonded Turntrans98.39.4179.600000115.1L197 L198 L199L197-G201 PolarHBondContact O-N 2.75Å; L198-G201 WeakPolarHBondContact O-CA 3.24Å; L198-G201 PolarHBondContact O-N 3.44Å; L199-G201 PolarHBondContact O-N 2.98Å
202Y92.7Very high89.6Confident63 Ų6356.2 Ų56.225%0.24732%0.321CS..  trans-88.4114.9170.9-61.3-55.9000110.6L197 L198 R200 F204 I252 K253L197-Y202 HydrophobicContact CB-CD2 4.47Å; L197-Y202 HydrophobicContact CD2-CD2 4.13Å; L197-Y202 WeakPolarHBondContact O-CB 3.4Å; L197-Y202 PolarHBondContact O-N 3.11Å; L198-Y202 WeakPolarHBondContact CA-O 3.29Å; R200-Y202 HydrophobicContact CB-CD2 4.42Å; Y202-F204 VanDerWaalsContact C-N 3.31Å; Y202-F204 HydrophobicContact CG-CE2 4.27Å; Y202-F204 PolarHBondContact O-N 2.86Å; Y202-I252 HydrophobicContact CD1-CB 4.43Å; Y202-I252 HydrophobicContact CD1-CG2 3.94Å; Y202-I252 HydrophobicContact CD2-CB 4.49Å; Y202-I252 HydrophobicContact CE1-CB 3.95Å; Y202-I252 HydrophobicContact CE1-CG2 3.77Å; Y202-I252 HydrophobicContact CE2-CB 3.98Å; Y202-I252 HydrophobicContact CG-CG2 4.42Å; Y202-K253 WeakPolarHBondContact CE2-O 3.23Å; Y202-K253 PolarHBondContact OH-N 3.12Å
203A89.7Confident89.5Confident97 Ų9754.9 Ų54.980%0.80232%0.316SS*.  trans-75.977.2-178.500000112.1
204F87.4Confident89.4Confident21 Ų2156.3 Ų56.39%0.09232%0.322CS..  trans-91.3140.3171.5-73.2-67.6000111.7I194 L197 Y202 D209 V213 M216 L246 I252I194-F204 HydrophobicContact CG2-CB 3.99Å; L197-F204 HydrophobicContact CB-CD2 3.75Å; L197-F204 HydrophobicContact CB-CE2 4.04Å; L197-F204 HydrophobicContact CD1-CD2 3.93Å; L197-F204 HydrophobicContact CD1-CE2 3.76Å; L197-F204 HydrophobicContact CG-CD2 4.48Å; L197-F204 HydrophobicContact CG-CE2 4.41Å; Y202-F204 VanDerWaalsContact C-N 3.31Å; Y202-F204 HydrophobicContact CG-CE2 4.27Å; Y202-F204 PolarHBondContact O-N 2.86Å; F204-D209 WeakPolarHBondContact CA-OD2 3.47Å; F204-D209 HydrophobicContact CB-CB 4.33Å; F204-D209 HydrophobicContact CD1-CB 3.58Å; F204-D209 HydrophobicContact CE1-CB 4.38Å; F204-D209 HydrophobicContact CG-CB 4.4Å; F204-V213 HydrophobicContact CD1-CG2 4.15Å; F204-V213 HydrophobicContact CE1-CG2 4.34Å; F204-V213 HydrophobicContact CG-CG2 4.26Å; F204-M216 HydrophobicContact CZ-CE 4.3Å; F204-L246 HydrophobicContact CE1-CD1 4.15Å; F204-L246 HydrophobicContact CE1-CD2 4.05Å; F204-L246 HydrophobicContact CZ-CD1 4.01Å; F204-L246 HydrophobicContact CZ-CD2 3.9Å; F204-I252 HydrophobicContact CE2-CD1 4.11Å; F204-I252 HydrophobicContact CZ-CD1 3.97Å
205N83.3Confident89.2Confident91 Ų9159.9 Ų59.949%0.48734%0.339SS..  trans-93.3135.7171.9-171.9-58.5000110.6S207 A208 D209N205-S207 PolarHBondContact O-N 3.23Å; N205-S207 VanDerWaalsContact O-N 3.16Å; N205-S207 PolarHBondContact OD1-N 2.79Å; N205-A208 HydrophobicContact CB-CB 4.2Å; N205-D209 PolarHBondContact N-OD2 2.94Å; N205-D209 PolarHBondContact O-N 3.46Å
206H76.9Confident89.3Confident98 Ų9855.6 Ų55.645%0.45432%0.321SS..THydrogen-bonded Turntrans-57.8-28.4-179.9-72.9-68000115.1F210H206-F210 WeakPolarHBondContact O-CB 3.25Å
207S74.1Confident89.3Confident84 Ų8455.3 Ų55.359%0.58732%0.319SS*.THydrogen-bonded Turntrans-100.4-48.1-176.4-63.10000112.8N205N205-S207 PolarHBondContact O-N 3.23Å; N205-S207 VanDerWaalsContact O-N 3.16Å; N205-S207 PolarHBondContact OD1-N 2.79Å
208A77.3Confident89.3Confident76 Ų7660 Ų6063%0.62834%0.341SS*.THydrogen-bonded Turntrans-73.5-40.2-17400000112.2N205N205-A208 HydrophobicContact CB-CB 4.2Å
209D85.9Confident89.5Confident46 Ų4663.4 Ų63.425%0.24635%0.352CS..SBendtrans-96.94.1-174.9-56.8-54.4000113.2F204 N205 E211 T212 V213F204-D209 WeakPolarHBondContact CA-OD2 3.47Å; F204-D209 HydrophobicContact CB-CB 4.33Å; F204-D209 HydrophobicContact CD1-CB 3.58Å; F204-D209 HydrophobicContact CE1-CB 4.38Å; F204-D209 HydrophobicContact CG-CB 4.4Å; N205-D209 PolarHBondContact N-OD2 2.94Å; N205-D209 PolarHBondContact O-N 3.46Å; D209-E211 PolarHBondContact O-N 2.96Å; D209-T212 PolarHBondContact O-N 3.2Å; D209-V213 WeakPolarHBondContact O-CG2 3.23Å; D209-V213 PolarHBondContact O-N 2.62Å
210F88.6Confident89.7Confident16 Ų1657.6 Ų57.67%0.0732%0.322CS..Hα-helixtrans-52.9-44.5-175.7-174-92.2000112.3R187 T190 R191 I194 H206 V213 R214R187-F210 HydrophobicContact CB-CZ 4.45Å; R187-F210 HydrophobicContact CG-CE2 4.29Å; R187-F210 HydrophobicContact CG-CZ 3.86Å; T190-F210 HydrophobicContact CG2-CD1 4.44Å; T190-F210 HydrophobicContact CG2-CD2 3.82Å; T190-F210 HydrophobicContact CG2-CE1 4.16Å; T190-F210 HydrophobicContact CG2-CE2 3.48Å; T190-F210 VanDerWaalsContact CG2-CE2 3.48Å; T190-F210 HydrophobicContact CG2-CG 4.27Å; T190-F210 HydrophobicContact CG2-CZ 3.67Å; T190-F210 WeakPolarHBondContact CG2-O 3.45Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.91Å; I194-F210 HydrophobicContact CD1-CD2 4.05Å; H206-F210 WeakPolarHBondContact O-CB 3.25Å; F210-V213 PolarHBondContact O-N 2.95Å; F210-R214 WeakPolarHBondContact O-CB 3.36Å; F210-R214 PolarHBondContact O-N 3.05Å
211E87.7Confident90Very high54 Ų5453.5 Ų53.525%0.25231%0.307SS..Hα-helixtrans-72-40.1-176.3-170.358.2-162.900112.1D209 V213 R214 M215D209-E211 PolarHBondContact O-N 2.96Å; E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 2.79Å; E211-R214 VanDerWaalsContact CD-NE 3.27Å; E211-R214 WeakPolarHBondContact O-CB 3.18Å; E211-R214 PolarHBondContact O-N 3.3Å; E211-R214 IonicContact OE1-CZ 3.16Å; E211-R214 IonicContact OE1-NE 3.13Å; E211-R214 PolarHBondContact OE1-NE 3.22Å; E211-R214 IonicContact OE1-NH2 3.12Å; E211-R214 PolarHBondContact OE1-NH2 3.25Å; E211-R214 IonicContact OE2-CZ 3.96Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.04Å; E211-M215 WeakPolarHBondContact O-CG 3.48Å; E211-M215 PolarHBondContact O-N 3.37Å
212T90.6Very high90.3Very high20 Ų2051.9 Ų51.912%0.12328%0.281CS..Hα-helixtrans-59.4-46173.2-54.30000111D209 M215 M216 L246 P247D209-T212 PolarHBondContact O-N 3.2Å; T212-M215 PolarHBondContact O-N 3.21Å; T212-M216 PolarHBondContact O-N 2.84Å; T212-L246 HydrophobicContact CG2-CD2 3.73Å; T212-P247 HydrophobicContact CG2-CG 4.17Å
213V94.8Very high90.5Very high0 Ų049 Ų490%027%0.271CS..Hα-helixtrans-72.6-30.1179.2-178.80000111.8T190 L193 I194 L197 F204 D209 F210 E211 M216 K217T190-V213 HydrophobicContact CG2-CB 4.38Å; T190-V213 HydrophobicContact CG2-CG1 4.31Å; L193-V213 HydrophobicContact CB-CG1 3.94Å; L193-V213 HydrophobicContact CD2-CG1 3.64Å; L193-V213 HydrophobicContact CG-CG1 3.68Å; I194-V213 HydrophobicContact CD1-CB 4.43Å; I194-V213 HydrophobicContact CG1-CB 3.81Å; I194-V213 HydrophobicContact CG1-CG1 3.67Å; I194-V213 HydrophobicContact CG1-CG2 3.9Å; L197-V213 HydrophobicContact CD1-CG1 4.19Å; L197-V213 HydrophobicContact CD1-CG2 4.29Å; F204-V213 HydrophobicContact CD1-CG2 4.15Å; F204-V213 HydrophobicContact CE1-CG2 4.34Å; F204-V213 HydrophobicContact CG-CG2 4.26Å; D209-V213 WeakPolarHBondContact O-CG2 3.23Å; D209-V213 PolarHBondContact O-N 2.62Å; F210-V213 PolarHBondContact O-N 2.95Å; E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 2.79Å; V213-M216 HydrophobicContact CG2-CE 4.48Å; V213-M216 WeakPolarHBondContact O-CB 3.42Å; V213-M216 PolarHBondContact O-N 3.44Å; V213-K217 WeakPolarHBondContact O-CB 3.38Å; V213-K217 PolarHBondContact O-N 3.5Å
214R94.6Very high90.9Very high29 Ų2944.4 Ų44.411%0.10923%0.232CC..Hα-helixtrans-60.8-46.7170.4-173.3-167.870.272.32111.2T190 F210 E211 M216 K217 E218T190-R214 HydrophobicContact CG2-CB 4.04Å; F210-R214 WeakPolarHBondContact O-CB 3.36Å; F210-R214 PolarHBondContact O-N 3.05Å; E211-R214 VanDerWaalsContact CD-NE 3.27Å; E211-R214 WeakPolarHBondContact O-CB 3.18Å; E211-R214 PolarHBondContact O-N 3.3Å; E211-R214 IonicContact OE1-CZ 3.16Å; E211-R214 IonicContact OE1-NE 3.13Å; E211-R214 PolarHBondContact OE1-NE 3.22Å; E211-R214 IonicContact OE1-NH2 3.12Å; E211-R214 PolarHBondContact OE1-NH2 3.25Å; E211-R214 IonicContact OE2-CZ 3.96Å; E211-R214 IonicContact OE2-NE 2.75Å; E211-R214 PolarHBondContact OE2-NE 3.04Å; R214-M216 VanDerWaalsContact C-N 3.34Å; R214-K217 WeakPolarHBondContact O-CB 3.37Å; R214-K217 PolarHBondContact O-N 3.45Å; R214-E218 IonicContact CZ-OE1 2.61Å; R214-E218 IonicContact NH1-OE1 2.72Å; R214-E218 PolarHBondContact NH1-OE1 3.47Å; R214-E218 IonicContact NH1-OE2 2.69Å; R214-E218 PolarHBondContact NH1-OE2 3.04Å; R214-E218 WeakPolarHBondContact O-CG 3.11Å; R214-E218 PolarHBondContact O-N 2.85Å
215M93.3Very high91.3Very high76 Ų7649.2 Ų49.237%0.37425%0.251SS..Hα-helixtrans-64.2-39.8176.5-69.8-173.5-73.300111.9E211 T212 E218 K219E211-M215 WeakPolarHBondContact O-CG 3.48Å; E211-M215 PolarHBondContact O-N 3.37Å; T212-M215 PolarHBondContact O-N 3.21Å; M215-E218 PolarHBondContact O-N 3.28Å; M215-K219 WeakPolarHBondContact O-CB 3.46Å; M215-K219 PolarHBondContact O-N 2.99Å
216M95.4Very high91.9Very high1 Ų147 Ų471%0.00524%0.239CC..Hα-helixtrans-61.5-45.3174.9-172.6-169.3-53.400111.8L197 F204 T212 V213 R214 E218 K219 L220 Y244 L246 I252 V254L197-M216 HydrophobicContact CD1-CE 4.16Å; L197-M216 HydrophobicContact CD1-SD 3.7Å; F204-M216 HydrophobicContact CZ-CE 4.3Å; T212-M216 PolarHBondContact O-N 2.84Å; V213-M216 HydrophobicContact CG2-CE 4.48Å; V213-M216 WeakPolarHBondContact O-CB 3.42Å; V213-M216 PolarHBondContact O-N 3.44Å; R214-M216 VanDerWaalsContact C-N 3.34Å; M216-E218 PolarHBondContact O-N 3.25Å; M216-K219 PolarHBondContact O-N 3.12Å; M216-L220 HydrophobicContact CG-CD1 3.96Å; M216-L220 WeakPolarHBondContact O-CB 3.44Å; M216-L220 PolarHBondContact O-N 2.99Å; M216-Y244 HydrophobicContact CB-CD2 4.38Å; M216-Y244 HydrophobicContact CB-CE1 4.46Å; M216-Y244 HydrophobicContact CB-CE2 4.1Å; M216-Y244 HydrophobicContact CE-CD1 3.96Å; M216-Y244 HydrophobicContact CE-CE1 4.25Å; M216-Y244 HydrophobicContact CE-CG 4.41Å; M216-Y244 HydrophobicContact CG-CD1 4.48Å; M216-Y244 HydrophobicContact CG-CD2 4.03Å; M216-Y244 HydrophobicContact CG-CE2 4.26Å; M216-Y244 HydrophobicContact CG-CG 4.15Å; M216-L246 HydrophobicContact CE-CD2 4.17Å; M216-I252 HydrophobicContact CE-CD1 3.34Å; M216-I252 HydrophobicContact CE-CG1 4.44Å; M216-I252 HydrophobicContact SD-CD1 3.9Å; M216-V254 HydrophobicContact CG-CG2 4.45Å; M216-V254 HydrophobicContact SD-CG2 3.77Å
217K97.2Very high92.8Very high7 Ų743.5 Ų43.53%0.0322%0.223CC..Hα-helixtrans-56.1-50.3174.3179.2-161.277.3177.90111.3G186 I189 T190 L193 V213 R214 K219 C221 Y310G186-K217 PolarHBondContact O-NZ 3.25Å; I189-K217 HydrophobicContact CB-CD 4.22Å; I189-K217 HydrophobicContact CG2-CD 3.81Å; I189-K217 HydrophobicContact CG2-CG 4.18Å; T190-K217 WeakPolarHBondContact OG1-CD 3.5Å; T190-K217 PolarHBondContact OG1-NZ 3.4Å; T190-K217 VanDerWaalsContact OG1-NZ 3.08Å; L193-K217 HydrophobicContact CD2-CB 3.78Å; L193-K217 HydrophobicContact CD2-CG 4.49Å; V213-K217 WeakPolarHBondContact O-CB 3.38Å; V213-K217 PolarHBondContact O-N 3.5Å; R214-K217 WeakPolarHBondContact O-CB 3.37Å; R214-K217 PolarHBondContact O-N 3.45Å; K217-K219 PolarHBondContact O-N 3.25Å; K217-C221 HydrophobicContact CG-CB 4.31Å; K217-C221 VanDerWaalsContact O-CB 3.23Å; K217-C221 WeakPolarHBondContact O-CB 3.34Å; K217-C221 PolarHBondContact O-N 3.38Å; K217-C221 VanDerWaalsContact O-N 3.1Å; K217-Y310 WeakPolarHBondContact CD-OH 3.37Å; K217-Y310 WeakPolarHBondContact CE-OH 3.47Å; K217-Y310 HydrophobicContact CG-CE1 4.12Å; K217-Y310 WeakPolarHBondContact CG-OH 3.47Å
218E95.9Very high93.8Very high98 Ų9846 Ų4646%0.45823%0.226SC..Hα-helixtrans-64.9-28.7-179-73.4177.5-167.100113.1R214 M215 M216R214-E218 IonicContact CZ-OE1 2.61Å; R214-E218 IonicContact NH1-OE1 2.72Å; R214-E218 PolarHBondContact NH1-OE1 3.47Å; R214-E218 IonicContact NH1-OE2 2.69Å; R214-E218 PolarHBondContact NH1-OE2 3.04Å; R214-E218 WeakPolarHBondContact O-CG 3.11Å; R214-E218 PolarHBondContact O-N 2.85Å; M215-E218 PolarHBondContact O-N 3.28Å; M216-E218 PolarHBondContact O-N 3.25Å
219K96.8Very high94.7Very high158 Ų15847.8 Ų47.869%0.68722%0.221SC*.Hα-helixtrans-86.9-39-178.8-170.7177.8-178.6-178.80113.8M215 M216 K217 Y244M215-K219 WeakPolarHBondContact O-CB 3.46Å; M215-K219 PolarHBondContact O-N 2.99Å; M216-K219 PolarHBondContact O-N 3.12Å; K217-K219 PolarHBondContact O-N 3.25Å; K219-Y244 HydrophobicContact CD-CD2 4.33Å; K219-Y244 HydrophobicContact CD-CE2 3.97Å
220L97.3Very high95.1Very high18 Ų1847 Ų479%0.09422%0.216CC..Hα-helixtrans-114.4-26.4-165.4-61-176.5000114.8M216 E242 Y244 V254 R258M216-L220 HydrophobicContact CG-CD1 3.96Å; M216-L220 WeakPolarHBondContact O-CB 3.44Å; M216-L220 PolarHBondContact O-N 2.99Å; L220-E242 HydrophobicContact CD2-CB 4.2Å; L220-Y244 HydrophobicContact CD1-CD2 3.92Å; L220-Y244 HydrophobicContact CD1-CG 4.37Å; L220-Y244 HydrophobicContact CG-CD2 4.38Å; L220-V254 HydrophobicContact CD1-CB 4.12Å; L220-V254 HydrophobicContact CD1-CG2 3.98Å; L220-R258 HydrophobicContact CB-CG 4.31Å; L220-R258 PolarHBondContact O-NE 3.09Å; L220-R258 PolarHBondContact O-NH2 3.13Å
221C98.2Very high95.5Very high6 Ų650.4 Ų50.44%0.04123%0.232CC..  trans-76.5150.8-174.7-70.40000112.3K217 R258 P262 Y310K217-C221 HydrophobicContact CG-CB 4.31Å; K217-C221 VanDerWaalsContact O-CB 3.23Å; K217-C221 WeakPolarHBondContact O-CB 3.34Å; K217-C221 PolarHBondContact O-N 3.38Å; K217-C221 VanDerWaalsContact O-N 3.1Å; C221-R258 WeakPolarHBondContact CA-O 2.94Å; C221-R258 WeakPolarHBondContact CB-O 3.42Å; C221-R258 PolarHBondContact SG-O 3.33Å; C221-P262 HydrophobicContact CB-CG 3.77Å; C221-Y310 HydrophobicContact CB-CD1 4.1Å; C221-Y310 HydrophobicContact CB-CE1 3.82Å
222Y98.3Very high95.9Very high30 Ų3053.8 Ų53.812%0.11825%0.246CC..  trans-148.4166.5177.566.4-84000109.8E230 L240 R258 F259 P262Y222-E230 PolarHBondContact OH-OE2 2.85Å; Y222-L240 VanDerWaalsContact OH-CD2 3.24Å; Y222-L240 WeakPolarHBondContact OH-CD2 3.39Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.75Å; Y222-R258 PolarHBondContact N-O 2.7Å; Y222-R258 VanDerWaalsContact N-O 3.07Å; Y222-F259 HydrophobicContact CD2-CB 4.23Å; Y222-F259 HydrophobicContact CE1-CB 4.17Å; Y222-F259 HydrophobicContact CE2-CB 3.78Å; Y222-F259 WeakPolarHBondContact O-CA 3.49Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.45Å; Y222-P262 WeakPolarHBondContact O-CG 3.23Å
223V98.4Very high96.1Very high4 Ų455.7 Ų55.72%0.02426%0.255CS..  trans-98.5123174.6169.40000109P262 F266 Y310 P311 L313 R316V223-P262 HydrophobicContact CG2-CB 3.81Å; V223-F266 HydrophobicContact CG1-CD2 4.43Å; V223-F266 HydrophobicContact CG1-CE2 3.61Å; V223-F266 HydrophobicContact CG1-CZ 4.08Å; V223-F266 HydrophobicContact CG2-CE2 4.16Å; V223-Y310 HydrophobicContact CG2-CD2 4.43Å; V223-Y310 HydrophobicContact CG2-CG 4.26Å; V223-P311 PolarHBondContact N-O 2.88Å; V223-L313 HydrophobicContact CB-CB 4.18Å; V223-L313 HydrophobicContact CG2-CB 3.92Å; V223-L313 HydrophobicContact CG2-CD1 4.16Å; V223-L313 HydrophobicContact CG2-CG 4.47Å; V223-R316 HydrophobicContact CG1-CB 3.58Å; V223-R316 HydrophobicContact CG1-CG 3.64Å
224G97.3Very high96.1Very high0 Ų057.3 Ų57.30%027%0.269CS..  trans-67130.6175.500000111.7R316G224-R316 PolarHBondContact O-NH1 2.99Å
225Y96.5Very high96.1Very high122 Ų12263.2 Ų63.248%0.47830%0.301SS..SBendtrans-70.6-42.7174.8-178.4-102.4000111.3R319Y225-R319 HydrophobicContact CD2-CB 4.44Å; Y225-R319 HydrophobicContact CE2-CB 3.58Å; Y225-R319 HydrophobicContact CE2-CG 4.15Å; Y225-R319 PolarHBondContact O-NE 3.37Å; Y225-R319 PolarHBondContact O-NH1 3.32Å
226N95.9Very high96.2Very high44 Ų4466.5 Ų66.524%0.23532%0.316CS..SBendtrans-129.8107.3174.5-1685.9000111E228 Q229 E230 R319N226-E228 PolarHBondContact O-N 3.02Å; N226-Q229 HydrophobicContact CB-CB 3.97Å; N226-Q229 WeakPolarHBondContact O-CB 3.1Å; N226-Q229 PolarHBondContact O-N 2.81Å; N226-Q229 VanDerWaalsContact O-N 3.1Å; N226-E230 WeakPolarHBondContact O-CG 3.23Å; N226-E230 PolarHBondContact O-N 3.42Å; N226-R319 PolarHBondContact OD1-NH2 3.31Å
227I94.7Very high96.1Very high25 Ų2569.1 Ų69.113%0.12833%0.332CS..Hα-helixtrans-62.4-39.4-173.1-61.2-60.8000113Q229 E230 Q231 F259 E263I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.28Å; I227-E230 PolarHBondContact O-N 2.94Å; I227-Q231 HydrophobicContact CG2-CG 4.21Å; I227-Q231 WeakPolarHBondContact O-CB 3.35Å; I227-Q231 VanDerWaalsContact O-CG 3.27Å; I227-Q231 WeakPolarHBondContact O-CG 3.09Å; I227-Q231 PolarHBondContact O-N 2.9Å; I227-F259 HydrophobicContact CD1-CD2 4.01Å; I227-F259 HydrophobicContact CD1-CE2 4.42Å; I227-F259 HydrophobicContact CG2-CE2 4.47Å; I227-E263 HydrophobicContact CD1-CG 4.09Å; I227-E263 WeakPolarHBondContact CD1-OE2 3.14Å; I227-E263 HydrophobicContact CG1-CG 4.35Å
228E95.1Very high96Very high137 Ų13774.2 Ų74.264%0.6436%0.364SS*.Hα-helixtrans-61.3-36.6177.2-64.3179-177.100112.4N226 K232N226-E228 PolarHBondContact O-N 3.02Å; E228-K232 WeakPolarHBondContact O-CG 3.4Å; E228-K232 PolarHBondContact O-N 3.26Å; E228-K232 VanDerWaalsContact O-N 3.13Å
229Q95.5Very high95.9Very high113 Ų11374.2 Ų74.253%0.52837%0.37SS..Hα-helixtrans-73.4-42.9178.2-174.1178.81.800111.2N226 I227 Q231 K232 L233N226-Q229 HydrophobicContact CB-CB 3.97Å; N226-Q229 WeakPolarHBondContact O-CB 3.1Å; N226-Q229 PolarHBondContact O-N 2.81Å; N226-Q229 VanDerWaalsContact O-N 3.1Å; I227-Q229 VanDerWaalsContact C-N 3.25Å; I227-Q229 PolarHBondContact O-N 3.28Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 2.98Å; Q229-K232 PolarHBondContact O-N 3.1Å; Q229-L233 WeakPolarHBondContact O-CG 3.35Å; Q229-L233 PolarHBondContact O-N 3.44Å
230E96.1Very high95.7Very high30 Ų3067.5 Ų67.514%0.1434%0.342CS..Hα-helixtrans-61.6-40.2176.1-64.9-69.4165.900111.3Y222 N226 I227 L233 A234 F259Y222-E230 PolarHBondContact OH-OE2 2.85Å; N226-E230 WeakPolarHBondContact O-CG 3.23Å; N226-E230 PolarHBondContact O-N 3.42Å; I227-E230 PolarHBondContact O-N 2.94Å; E230-L233 PolarHBondContact O-N 2.68Å; E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 2.68Å; E230-F259 HydrophobicContact CB-CD1 3.95Å; E230-F259 HydrophobicContact CB-CD2 3.9Å; E230-F259 HydrophobicContact CB-CE1 3.73Å; E230-F259 HydrophobicContact CB-CE2 3.7Å; E230-F259 HydrophobicContact CB-CG 4.04Å; E230-F259 HydrophobicContact CB-CZ 3.62Å; E230-F259 HydrophobicContact CG-CG 4.47Å
231Q95.1Very high95.7Very high87 Ų8769.1 Ų69.141%0.40735%0.352SS..Hα-helixtrans-63.1-43.4174.4-74.8174.2-12.600112.2I227 Q229 A234 L235 F259I227-Q231 HydrophobicContact CG2-CG 4.21Å; I227-Q231 WeakPolarHBondContact O-CB 3.35Å; I227-Q231 VanDerWaalsContact O-CG 3.27Å; I227-Q231 WeakPolarHBondContact O-CG 3.09Å; I227-Q231 PolarHBondContact O-N 2.9Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 2.98Å; Q231-A234 PolarHBondContact O-N 2.94Å; Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CG 3.3Å; Q231-L235 WeakPolarHBondContact O-CG 3.28Å; Q231-L235 PolarHBondContact O-N 3.39Å; Q231-F259 HydrophobicContact CG-CE2 4.19Å; Q231-F259 HydrophobicContact CG-CZ 4.05Å
232K96.3Very high95.6Very high124 Ų12473 Ų7354%0.53937%0.37SS..Hα-helixtrans-60.6-45.3173.5-75.4179.9-177.5-179.60111.6E228 Q229 A234 L235 E236E228-K232 WeakPolarHBondContact O-CG 3.4Å; E228-K232 PolarHBondContact O-N 3.26Å; E228-K232 VanDerWaalsContact O-N 3.13Å; Q229-K232 PolarHBondContact O-N 3.1Å; K232-A234 VanDerWaalsContact C-N 3.3Å; K232-A234 PolarHBondContact O-N 3.44Å; K232-L235 PolarHBondContact O-N 2.96Å; K232-E236 VanDerWaalsContact O-CB 3.23Å; K232-E236 WeakPolarHBondContact O-CB 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.07Å
233L95.4Very high95.4Very high60 Ų6075 Ų7531%0.31439%0.388SS..Hα-helixtrans-60.5-40.2176.2-71.3172.8000111.9Q229 E230 T237 V239 L240Q229-L233 WeakPolarHBondContact O-CG 3.35Å; Q229-L233 PolarHBondContact O-N 3.44Å; E230-L233 PolarHBondContact O-N 2.68Å; L233-T237 CarbonylContact O-C 3.54Å; L233-T237 WeakPolarHBondContact O-CB 3.48Å; L233-T237 PolarHBondContact O-N 2.95Å; L233-T237 VanDerWaalsContact O-N 3.14Å; L233-T237 PolarHBondContact O-OG1 3.39Å; L233-V239 HydrophobicContact CD2-CG2 4.43Å; L233-L240 HydrophobicContact CB-CD1 4.05Å; L233-L240 HydrophobicContact CB-CG 4.35Å
234A94.3Very high95.3Very high35 Ų3576.1 Ų76.129%0.28939%0.392SS..Hα-helixtrans-67.8-36.5177.900000113.4E230 Q231 K232 L240 F259E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 2.68Å; Q231-A234 PolarHBondContact O-N 2.94Å; K232-A234 VanDerWaalsContact C-N 3.3Å; K232-A234 PolarHBondContact O-N 3.44Å; A234-L240 HydrophobicContact CB-CD1 3.96Å; A234-F259 HydrophobicContact CB-CE1 4.15Å; A234-F259 HydrophobicContact CB-CZ 4.5Å
235L94.6Very high95.2Very high152 Ų15280.4 Ų80.480%0.79642%0.418SS*.Hα-helixtrans-85.1-40-176.6-72.5167000112.9Q231 K232Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CG 3.3Å; Q231-L235 WeakPolarHBondContact O-CG 3.28Å; Q231-L235 PolarHBondContact O-N 3.39Å; K232-L235 PolarHBondContact O-N 2.96Å
236E95.3Very high95Very high146 Ų14675.6 Ų75.668%0.68240%0.401SS*.Hα-helixtrans-94.5-16.9-171.7-59.7175.1-167.600112.6K232K232-E236 VanDerWaalsContact O-CB 3.23Å; K232-E236 WeakPolarHBondContact O-CB 3.39Å; K232-E236 WeakPolarHBondContact O-CG 3.42Å; K232-E236 PolarHBondContact O-N 3.07Å
237T94.9Very high94.6Very high55 Ų5578.6 Ų78.634%0.33742%0.423SS..  trans-138.8172-175.383.30000112.7L233 V239L233-T237 CarbonylContact O-C 3.54Å; L233-T237 WeakPolarHBondContact O-CB 3.48Å; L233-T237 PolarHBondContact O-N 2.95Å; L233-T237 VanDerWaalsContact O-N 3.14Å; L233-T237 PolarHBondContact O-OG1 3.39Å; T237-V239 WeakPolarHBondContact OG1-CG2 3.49Å; T237-V239 PolarHBondContact OG1-N 2.63Å
238T93.4Very high94.2Very high115 Ų11582 Ų8271%0.70644%0.441SS*.SBendtrans-107.77.7175.255.80000113.3L240 V241T238-L240 PolarHBondContact O-N 3.05Å; T238-L240 VanDerWaalsContact O-N 3.15Å; T238-V241 WeakPolarHBondContact O-CB 3.4Å; T238-V241 PolarHBondContact O-N 2.94Å
239V94.7Very high93.9Very high97 Ų9777.8 Ų77.859%0.58844%0.435SS*.THydrogen-bonded Turntrans-63.9-24.3-172.4-54.70000113.4L233 T237L233-V239 HydrophobicContact CD2-CG2 4.43Å; T237-V239 WeakPolarHBondContact OG1-CG2 3.49Å; T237-V239 PolarHBondContact OG1-N 2.63Å
240L93.4Very high93.8Very high18 Ų1880.8 Ų80.89%0.09444%0.442CS..THydrogen-bonded Turntrans-85.5-10.5178.4-59.6-175.5000113.1Y222 L233 A234 T238 E242 R258 F259Y222-L240 VanDerWaalsContact OH-CD2 3.24Å; Y222-L240 WeakPolarHBondContact OH-CD2 3.39Å; L233-L240 HydrophobicContact CB-CD1 4.05Å; L233-L240 HydrophobicContact CB-CG 4.35Å; A234-L240 HydrophobicContact CB-CD1 3.96Å; T238-L240 PolarHBondContact O-N 3.05Å; T238-L240 VanDerWaalsContact O-N 3.15Å; L240-E242 PolarHBondContact O-N 2.96Å; L240-R258 WeakPolarHBondContact O-CD 3.5Å; L240-R258 PolarHBondContact O-NH1 3.06Å; L240-F259 HydrophobicContact CD1-CD1 4.19Å; L240-F259 HydrophobicContact CD1-CE1 3.92Å
241V95.7Very high93.7Very high51 Ų5183.7 Ų83.731%0.30946%0.461SS..  trans-80.1111.9-173.7-176.40000110.5T238 K253 V254T238-V241 WeakPolarHBondContact O-CB 3.4Å; T238-V241 PolarHBondContact O-N 2.94Å; V241-K253 HydrophobicContact CG1-CB 3.88Å; V241-K253 HydrophobicContact CG1-CD 4.07Å; V241-K253 HydrophobicContact CG1-CG 4.22Å; V241-V254 WeakPolarHBondContact CA-O 3.37Å
242E96.1Very high93.7Very high88 Ų8879.9 Ų79.941%0.41144%0.444SS..EExtended strand (participates in β ladder)trans-111148.5175.7-73.7-67.3164.700111L220 L240 K253 V254L220-E242 HydrophobicContact CD2-CB 4.2Å; L240-E242 PolarHBondContact O-N 2.96Å; E242-K253 CarbonylContact O-C 3.58Å; E242-K253 WeakPolarHBondContact O-CA 2.97Å; E242-V254 PolarHBondContact N-O 3.28Å; E242-V254 PolarHBondContact O-N 2.79Å
243S95.7Very high93.7Very high73 Ų7379.6 Ų79.651%0.5144%0.442SS..EExtended strand (participates in β ladder)trans-95.7137.4176.7-61.20000111I252S243-I252 CarbonylContact C-O 3.59Å; S243-I252 WeakPolarHBondContact CA-O 3.5Å
244Y96.1Very high93.7Very high26 Ų2676.8 Ų76.810%0.10243%0.427CS..EExtended strand (participates in β ladder)trans-128.5128.4175.9-170.1-86.3000110.5M216 K219 L220 L246 V251 I252M216-Y244 HydrophobicContact CB-CD2 4.38Å; M216-Y244 HydrophobicContact CB-CE1 4.46Å; M216-Y244 HydrophobicContact CB-CE2 4.1Å; M216-Y244 HydrophobicContact CE-CD1 3.96Å; M216-Y244 HydrophobicContact CE-CE1 4.25Å; M216-Y244 HydrophobicContact CE-CG 4.41Å; M216-Y244 HydrophobicContact CG-CD1 4.48Å; M216-Y244 HydrophobicContact CG-CD2 4.03Å; M216-Y244 HydrophobicContact CG-CE2 4.26Å; M216-Y244 HydrophobicContact CG-CG 4.15Å; K219-Y244 HydrophobicContact CD-CD2 4.33Å; K219-Y244 HydrophobicContact CD-CE2 3.97Å; L220-Y244 HydrophobicContact CD1-CD2 3.92Å; L220-Y244 HydrophobicContact CD1-CG 4.37Å; L220-Y244 HydrophobicContact CG-CD2 4.38Å; Y244-L246 HydrophobicContact CD1-CD2 4.05Å; Y244-L246 HydrophobicContact CE1-CD2 4.18Å; Y244-V251 WeakPolarHBondContact O-CA 3.43Å; Y244-I252 PolarHBondContact N-O 3.33Å; Y244-I252 PolarHBondContact O-N 3.03Å
245T94.6Very high93.8Very high90 Ų9075.2 Ų75.255%0.55242%0.415SS*.EExtended strand (participates in β ladder)trans-90.2119.7176.3-50.30000109.8R250 V251T245-R250 WeakPolarHBondContact CA-O 3.39Å; T245-V251 HydrophobicContact CG2-CG2 4.41Å
246L91.9Very high93.8Very high21 Ų2168.5 Ų68.511%0.1138%0.382CS..  trans-73.9162.7175.5-64.2-179.8000111.3F204 T212 M216 Y244 D248 G249 R250 I252F204-L246 HydrophobicContact CE1-CD1 4.15Å; F204-L246 HydrophobicContact CE1-CD2 4.05Å; F204-L246 HydrophobicContact CZ-CD1 4.01Å; F204-L246 HydrophobicContact CZ-CD2 3.9Å; T212-L246 HydrophobicContact CG2-CD2 3.73Å; M216-L246 HydrophobicContact CE-CD2 4.17Å; Y244-L246 HydrophobicContact CD1-CD2 4.05Å; Y244-L246 HydrophobicContact CE1-CD2 4.18Å; L246-D248 WeakPolarHBondContact CB-OD1 3.12Å; L246-D248 PolarHBondContact O-N 2.8Å; L246-D248 VanDerWaalsContact O-N 3.15Å; L246-G249 PolarHBondContact O-N 3.44Å; L246-R250 HydrophobicContact CB-CB 4.5Å; L246-R250 WeakPolarHBondContact CB-O 2.93Å; L246-R250 HydrophobicContact CD1-CB 4.23Å; L246-R250 PolarHBondContact N-O 3.04Å; L246-I252 HydrophobicContact CD1-CG2 3.81Å; L246-I252 HydrophobicContact CD2-CD1 4.34Å; L246-I252 HydrophobicContact CG-CG2 4.2Å
247P87.1Confident93.9Very high108 Ų10862.4 Ų62.470%0.70135%0.354SS*.THydrogen-bonded Turntrans-58.5-25.9178.8-25.735.2000114.4T212 G249T212-P247 HydrophobicContact CG2-CG 4.17Å; P247-G249 PolarHBondContact O-N 3.44Å
248D86Confident94Very high95 Ų9561.6 Ų61.651%0.50835%0.345SS..THydrogen-bonded Turntrans-82.92.5176.170.7-13.8000113.6L246 R250L246-D248 WeakPolarHBondContact CB-OD1 3.12Å; L246-D248 PolarHBondContact O-N 2.8Å; L246-D248 VanDerWaalsContact O-N 3.15Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 WeakPolarHBondContact OD1-CB 3.26Å; D248-R250 WeakPolarHBondContact OD1-CG 3.43Å; D248-R250 PolarHBondContact OD1-N 2.88Å; D248-R250 WeakPolarHBondContact OD2-CD 3.47Å; D248-R250 WeakPolarHBondContact OD2-CG 3.41Å; D248-R250 IonicContact OD2-CZ 3.59Å; D248-R250 IonicContact OD2-NE 3.09Å; D248-R250 PolarHBondContact OD2-NE 3.06Å; D248-R250 VanDerWaalsContact OD2-NE 3.09Å
249G90.3Very high94.2Very high50 Ų5056.2 Ų56.252%0.51531%0.311SS..SBendtrans86-5.2-178.900000114.8L246 P247L246-G249 PolarHBondContact O-N 3.44Å; P247-G249 PolarHBondContact O-N 3.44Å
250R91.9Very high94.4Very high176 Ų17654.6 Ų54.666%0.66430%0.298SS*.  trans-69.1139.8177.3-66.4-179.8-172.5175.42110.6T245 L246 D248T245-R250 WeakPolarHBondContact CA-O 3.39Å; L246-R250 HydrophobicContact CB-CB 4.5Å; L246-R250 WeakPolarHBondContact CB-O 2.93Å; L246-R250 HydrophobicContact CD1-CB 4.23Å; L246-R250 PolarHBondContact N-O 3.04Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 WeakPolarHBondContact OD1-CB 3.26Å; D248-R250 WeakPolarHBondContact OD1-CG 3.43Å; D248-R250 PolarHBondContact OD1-N 2.88Å; D248-R250 WeakPolarHBondContact OD2-CD 3.47Å; D248-R250 WeakPolarHBondContact OD2-CG 3.41Å; D248-R250 IonicContact OD2-CZ 3.59Å; D248-R250 IonicContact OD2-NE 3.09Å; D248-R250 PolarHBondContact OD2-NE 3.06Å; D248-R250 VanDerWaalsContact OD2-NE 3.09Å
251V94.8Very high94.6Very high90 Ų9053.8 Ų53.855%0.54529%0.293SS..EExtended strand (participates in β ladder)trans-102.6121.9176.3-178.30000109.6Y244 T245Y244-V251 WeakPolarHBondContact O-CA 3.43Å; T245-V251 HydrophobicContact CG2-CG2 4.41Å
252I95Very high94.7Very high8 Ų851.3 Ų51.34%0.04128%0.278CS..EExtended strand (participates in β ladder)trans-107.8160.5174.368.9164.3000110.6Y202 F204 M216 S243 Y244 L246 V254Y202-I252 HydrophobicContact CD1-CB 4.43Å; Y202-I252 HydrophobicContact CD1-CG2 3.94Å; Y202-I252 HydrophobicContact CD2-CB 4.49Å; Y202-I252 HydrophobicContact CE1-CB 3.95Å; Y202-I252 HydrophobicContact CE1-CG2 3.77Å; Y202-I252 HydrophobicContact CE2-CB 3.98Å; Y202-I252 HydrophobicContact CG-CG2 4.42Å; F204-I252 HydrophobicContact CE2-CD1 4.11Å; F204-I252 HydrophobicContact CZ-CD1 3.97Å; M216-I252 HydrophobicContact CE-CD1 3.34Å; M216-I252 HydrophobicContact CE-CG1 4.44Å; M216-I252 HydrophobicContact SD-CD1 3.9Å; S243-I252 CarbonylContact C-O 3.59Å; S243-I252 WeakPolarHBondContact CA-O 3.5Å; Y244-I252 PolarHBondContact N-O 3.33Å; Y244-I252 PolarHBondContact O-N 3.03Å; L246-I252 HydrophobicContact CD1-CG2 3.81Å; L246-I252 HydrophobicContact CD2-CD1 4.34Å; L246-I252 HydrophobicContact CG-CG2 4.2Å; I252-V254 HydrophobicContact CD1-CG2 4.02Å; I252-V254 HydrophobicContact CG1-CG2 4.29Å
253K95.6Very high94.8Very high117 Ų11747.3 Ų47.351%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-111.2128.8176.3-67-175.1179.5-176.70110.1R200 Y202 V241 E242R200-K253 VanDerWaalsContact CZ-O 3.26Å; R200-K253 PolarHBondContact NH1-O 2.78Å; Y202-K253 WeakPolarHBondContact CE2-O 3.23Å; Y202-K253 PolarHBondContact OH-N 3.12Å; V241-K253 HydrophobicContact CG1-CB 3.88Å; V241-K253 HydrophobicContact CG1-CD 4.07Å; V241-K253 HydrophobicContact CG1-CG 4.22Å; E242-K253 CarbonylContact O-C 3.58Å; E242-K253 WeakPolarHBondContact O-CA 2.97Å
254V96.2Very high94.9Very high1 Ų143.9 Ų43.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-121.8123.9179.5-161.80000108.4L197 R200 M216 L220 V241 E242 I252 E257 R258L197-V254 HydrophobicContact CD2-CG1 4.28Å; L197-V254 HydrophobicContact CD2-CG2 4.39Å; R200-V254 VanDerWaalsContact NH1-CA 3.3Å; M216-V254 HydrophobicContact CG-CG2 4.45Å; M216-V254 HydrophobicContact SD-CG2 3.77Å; L220-V254 HydrophobicContact CD1-CB 4.12Å; L220-V254 HydrophobicContact CD1-CG2 3.98Å; V241-V254 WeakPolarHBondContact CA-O 3.37Å; E242-V254 PolarHBondContact N-O 3.28Å; E242-V254 PolarHBondContact O-N 2.79Å; I252-V254 HydrophobicContact CD1-CG2 4.02Å; I252-V254 HydrophobicContact CG1-CG2 4.29Å; V254-E257 HydrophobicContact CG1-CB 4.27Å; V254-R258 HydrophobicContact CB-CG 4.29Å; V254-R258 HydrophobicContact CG1-CG 3.73Å
255G96.1Very high94.9Very high2 Ų242.8 Ų42.82%0.02123%0.231CC..  trans-124.6-110.6-171.200000110.8E257 R258G255-E257 WeakPolarHBondContact CA-OE2 3.41Å; G255-E257 PolarHBondContact N-OE2 3.48Å; G255-E257 PolarHBondContact O-N 3.35Å; G255-R258 VanDerWaalsContact O-CB 3.23Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 WeakPolarHBondContact O-CD 3.44Å; G255-R258 WeakPolarHBondContact O-CG 3.41Å; G255-R258 PolarHBondContact O-N 3.22Å; G255-R258 VanDerWaalsContact O-N 3.12Å
256G96.1Very high95.1Very high11 Ų1139 Ų3911%0.11321%0.207CC..THydrogen-bonded Turntrans-59.1-27.4-179.200000114.1R258 F259 E260G256-R258 PolarHBondContact O-N 3.13Å; G256-F259 VanDerWaalsContact O-CD1 3.22Å; G256-F259 WeakPolarHBondContact O-CD1 3.46Å; G256-F259 WeakPolarHBondContact O-CE1 3.39Å; G256-F259 PolarHBondContact O-N 3.46Å; G256-F259 VanDerWaalsContact O-N 3.07Å; G256-E260 WeakPolarHBondContact O-CG 3.41Å; G256-E260 PolarHBondContact O-N 3.31Å
257E96.6Very high95.3Very high19 Ų1941.3 Ų41.39%0.08922%0.217CC..Hα-helixtrans-59.6-21.7178.9-48.982.2173.800112.1L193 L196 R200 V254 G255 F259 A261L193-E257 HydrophobicContact CD1-CB 3.95Å; L196-E257 HydrophobicContact CB-CB 4.09Å; L196-E257 HydrophobicContact CB-CG 3.85Å; L196-E257 HydrophobicContact CD1-CB 4.23Å; R200-E257 WeakPolarHBondContact CD-OE1 3.03Å; R200-E257 IonicContact CZ-OE1 3.35Å; R200-E257 IonicContact CZ-OE2 3.78Å; R200-E257 IonicContact NE-OE1 3.48Å; R200-E257 PolarHBondContact NE-OE1 3.15Å; R200-E257 IonicContact NH1-OE1 2.9Å; R200-E257 PolarHBondContact NH1-OE1 3.1Å; R200-E257 IonicContact NH1-OE2 2.75Å; R200-E257 PolarHBondContact NH1-OE2 3.15Å; V254-E257 HydrophobicContact CG1-CB 4.27Å; G255-E257 WeakPolarHBondContact CA-OE2 3.41Å; G255-E257 PolarHBondContact N-OE2 3.48Å; G255-E257 PolarHBondContact O-N 3.35Å; E257-F259 VanDerWaalsContact C-N 3.35Å; E257-F259 PolarHBondContact O-N 3.05Å; E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.19Å; E257-A261 VanDerWaalsContact O-N 3.13Å
258R97.6Very high95.7Very high38 Ų3836.3 Ų36.314%0.14319%0.185CC..Hα-helixtrans-61.1-38.9177.4-65.417161.9-164.80.6112.7L220 C221 Y222 L240 V254 G255 G256 P262L220-R258 HydrophobicContact CB-CG 4.31Å; L220-R258 PolarHBondContact O-NE 3.09Å; L220-R258 PolarHBondContact O-NH2 3.13Å; C221-R258 WeakPolarHBondContact CA-O 2.94Å; C221-R258 WeakPolarHBondContact CB-O 3.42Å; C221-R258 PolarHBondContact SG-O 3.33Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.75Å; Y222-R258 PolarHBondContact N-O 2.7Å; Y222-R258 VanDerWaalsContact N-O 3.07Å; L240-R258 WeakPolarHBondContact O-CD 3.5Å; L240-R258 PolarHBondContact O-NH1 3.06Å; V254-R258 HydrophobicContact CB-CG 4.29Å; V254-R258 HydrophobicContact CG1-CG 3.73Å; G255-R258 VanDerWaalsContact O-CB 3.23Å; G255-R258 WeakPolarHBondContact O-CB 3.49Å; G255-R258 WeakPolarHBondContact O-CD 3.44Å; G255-R258 WeakPolarHBondContact O-CG 3.41Å; G255-R258 PolarHBondContact O-N 3.22Å; G255-R258 VanDerWaalsContact O-N 3.12Å; G256-R258 PolarHBondContact O-N 3.13Å; R258-P262 VanDerWaalsContact O-CD 3.31Å; R258-P262 WeakPolarHBondContact O-CD 3.29Å
259F97.8Very high96.2Very high1 Ų137.4 Ų37.40%0.00419%0.187CC..Hα-helixtrans-101.9-26.7177.673.8-95.6000113Y222 I227 E230 Q231 A234 L240 G256 E257 A261 P262 E263Y222-F259 HydrophobicContact CD2-CB 4.23Å; Y222-F259 HydrophobicContact CE1-CB 4.17Å; Y222-F259 HydrophobicContact CE2-CB 3.78Å; Y222-F259 WeakPolarHBondContact O-CA 3.49Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.45Å; I227-F259 HydrophobicContact CD1-CD2 4.01Å; I227-F259 HydrophobicContact CD1-CE2 4.42Å; I227-F259 HydrophobicContact CG2-CE2 4.47Å; E230-F259 HydrophobicContact CB-CD1 3.95Å; E230-F259 HydrophobicContact CB-CD2 3.9Å; E230-F259 HydrophobicContact CB-CE1 3.73Å; E230-F259 HydrophobicContact CB-CE2 3.7Å; E230-F259 HydrophobicContact CB-CG 4.04Å; E230-F259 HydrophobicContact CB-CZ 3.62Å; E230-F259 HydrophobicContact CG-CG 4.47Å; Q231-F259 HydrophobicContact CG-CE2 4.19Å; Q231-F259 HydrophobicContact CG-CZ 4.05Å; A234-F259 HydrophobicContact CB-CE1 4.15Å; A234-F259 HydrophobicContact CB-CZ 4.5Å; L240-F259 HydrophobicContact CD1-CD1 4.19Å; L240-F259 HydrophobicContact CD1-CE1 3.92Å; G256-F259 VanDerWaalsContact O-CD1 3.22Å; G256-F259 WeakPolarHBondContact O-CD1 3.46Å; G256-F259 WeakPolarHBondContact O-CE1 3.39Å; G256-F259 PolarHBondContact O-N 3.46Å; G256-F259 VanDerWaalsContact O-N 3.07Å; E257-F259 VanDerWaalsContact C-N 3.35Å; E257-F259 PolarHBondContact O-N 3.05Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.22Å; F259-P262 WeakPolarHBondContact O-CD 3.18Å; F259-E263 PolarHBondContact O-N 2.86Å
260E97.5Very high96.4Very high64 Ų6437.3 Ų37.330%0.29917%0.174SC..Hα-helixtrans-64.3-39176.5-69.2170.9176.500111.5Y192 L196 G256 E263Y192-E260 WeakPolarHBondContact CE1-O 3.37Å; L196-E260 HydrophobicContact CD1-CB 3.82Å; G256-E260 WeakPolarHBondContact O-CG 3.41Å; G256-E260 PolarHBondContact O-N 3.31Å; E260-E263 WeakPolarHBondContact O-CB 3.45Å; E260-E263 PolarHBondContact O-N 3.24Å
261A97.6Very high96.6Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-63.5-50.5-178.100000112.9I189 Y192 L193 L196 E257 F259 E263 A264I189-A261 HydrophobicContact CG2-CB 4.09Å; Y192-A261 HydrophobicContact CD1-CB 4.41Å; L193-A261 HydrophobicContact CB-CB 3.89Å; L193-A261 HydrophobicContact CD1-CB 4.04Å; L193-A261 HydrophobicContact CG-CB 4.48Å; L196-A261 HydrophobicContact CD1-CB 4.01Å; E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.19Å; E257-A261 VanDerWaalsContact O-N 3.13Å; F259-A261 VanDerWaalsContact C-N 3.34Å; F259-A261 PolarHBondContact O-N 3.22Å; A261-E263 PolarHBondContact O-N 2.81Å; A261-A264 PolarHBondContact O-N 3.44Å
262P97.9Very high96.5Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-68.8-16.6175.6-22.537.1000114.4I189 C221 Y222 V223 R258 F259 A264 L265 Y310I189-P262 HydrophobicContact CG2-CG 4.47Å; C221-P262 HydrophobicContact CB-CG 3.77Å; Y222-P262 WeakPolarHBondContact O-CG 3.23Å; V223-P262 HydrophobicContact CG2-CB 3.81Å; R258-P262 VanDerWaalsContact O-CD 3.31Å; R258-P262 WeakPolarHBondContact O-CD 3.29Å; F259-P262 WeakPolarHBondContact O-CD 3.18Å; P262-A264 PolarHBondContact O-N 3.07Å; P262-A264 VanDerWaalsContact O-N 3.17Å; P262-L265 WeakPolarHBondContact O-CB 3.38Å; P262-L265 PolarHBondContact O-N 2.94Å; P262-Y310 HydrophobicContact CB-CD1 4.38Å; P262-Y310 HydrophobicContact CB-CD2 4.27Å; P262-Y310 HydrophobicContact CB-CE1 4.4Å; P262-Y310 HydrophobicContact CB-CE2 4.31Å; P262-Y310 HydrophobicContact CB-CG 4.33Å; P262-Y310 HydrophobicContact CG-CD1 3.92Å; P262-Y310 HydrophobicContact CG-CE1 3.78Å; P262-Y310 HydrophobicContact CG-CG 4.35Å
263E97.9Very high96.4Very high4 Ų434.6 Ų34.62%0.01917%0.171CC..Hα-helixtrans-61.6-22.7176.6-169.858-162.600112.2I227 F259 E260 A261 L265 F266 Q267 L270 R316I227-E263 HydrophobicContact CD1-CG 4.09Å; I227-E263 WeakPolarHBondContact CD1-OE2 3.14Å; I227-E263 HydrophobicContact CG1-CG 4.35Å; F259-E263 PolarHBondContact O-N 2.86Å; E260-E263 WeakPolarHBondContact O-CB 3.45Å; E260-E263 PolarHBondContact O-N 3.24Å; A261-E263 PolarHBondContact O-N 2.81Å; E263-L265 PolarHBondContact O-N 3.42Å; E263-F266 CarbonylContact O-C 3.55Å; E263-F266 PolarHBondContact O-N 3.42Å; E263-Q267 HydrophobicContact CG-CB 4.42Å; E263-Q267 HydrophobicContact CG-CG 4.32Å; E263-Q267 PolarHBondContact O-N 3.03Å; E263-L270 HydrophobicContact CB-CD1 4.14Å; E263-L270 HydrophobicContact CG-CD1 4.04Å; E263-R316 IonicContact OE1-CZ 3.25Å; E263-R316 IonicContact OE1-NH1 3.13Å; E263-R316 PolarHBondContact OE1-NH1 2.89Å; E263-R316 IonicContact OE1-NH2 3.4Å; E263-R316 PolarHBondContact OE1-NH2 2.85Å; E263-R316 IonicContact OE2-CZ 2.78Å; E263-R316 IonicContact OE2-NH1 3.76Å; E263-R316 PolarHBondContact OE2-NH1 3.08Å; E263-R316 IonicContact OE2-NH2 3.65Å
264A97.3Very high96.2Very high0 Ų038.2 Ų38.20%019%0.19CC..THydrogen-bonded Turntrans-55.6-23.9171.800000113.8I184 Y192 A261 P262 F266 Q267 I271I184-A264 WeakPolarHBondContact CD1-O 3.35Å; Y192-A264 HydrophobicContact CD1-CB 3.94Å; Y192-A264 HydrophobicContact CE1-CB 4.31Å; A261-A264 PolarHBondContact O-N 3.44Å; P262-A264 PolarHBondContact O-N 3.07Å; P262-A264 VanDerWaalsContact O-N 3.17Å; A264-F266 VanDerWaalsContact C-N 3.33Å; A264-Q267 CarbonylContact O-C 3.56Å; A264-I271 HydrophobicContact CB-CD1 4.38Å; A264-I271 HydrophobicContact CB-CG1 4.4Å; A264-I271 HydrophobicContact CB-CG2 4.08Å
265L97.6Very high95.9Very high3 Ų340.9 Ų40.92%0.01622%0.218CC..THydrogen-bonded Turntrans-67.5-33172.8-72.3170.7000112.7I184 I189 P262 E263 G277 V278 Y310 L313I184-L265 HydrophobicContact CG2-CD2 4.02Å; I189-L265 HydrophobicContact CD1-CD1 3.76Å; I189-L265 HydrophobicContact CD1-CD2 4.09Å; I189-L265 HydrophobicContact CD1-CG 3.75Å; I189-L265 HydrophobicContact CG1-CG 4.47Å; P262-L265 WeakPolarHBondContact O-CB 3.38Å; P262-L265 PolarHBondContact O-N 2.94Å; E263-L265 PolarHBondContact O-N 3.42Å; L265-G277 CarbonylContact O-C 3.55Å; L265-G277 WeakPolarHBondContact O-CA 3.17Å; L265-V278 HydrophobicContact CB-CG1 4.22Å; L265-V278 WeakPolarHBondContact O-CG1 3.4Å; L265-V278 PolarHBondContact O-N 3.17Å; L265-Y310 HydrophobicContact CD1-CD2 4.42Å; L265-Y310 HydrophobicContact CD1-CE2 4.29Å; L265-L313 HydrophobicContact CD1-CD1 4.17Å
266F97.8Very high96Very high10 Ų1043 Ų434%0.04423%0.23CC..THydrogen-bonded Turntrans-95.9-26.4-179.8-62.7-89.4000111.7V223 E263 A264 P268 G277 V278 A279 R316 L317 E320V223-F266 HydrophobicContact CG1-CD2 4.43Å; V223-F266 HydrophobicContact CG1-CE2 3.61Å; V223-F266 HydrophobicContact CG1-CZ 4.08Å; V223-F266 HydrophobicContact CG2-CE2 4.16Å; E263-F266 CarbonylContact O-C 3.55Å; E263-F266 PolarHBondContact O-N 3.42Å; A264-F266 VanDerWaalsContact C-N 3.33Å; F266-P268 WeakPolarHBondContact O-CD 3.38Å; F266-G277 VanDerWaalsContact O-CA 3.27Å; F266-G277 WeakPolarHBondContact O-CA 3.06Å; F266-V278 HydrophobicContact CD1-CG1 3.99Å; F266-V278 HydrophobicContact CE1-CG1 3.84Å; F266-V278 HydrophobicContact CE2-CG1 4.47Å; F266-V278 HydrophobicContact CG-CG1 4.4Å; F266-V278 HydrophobicContact CZ-CG1 4.09Å; F266-A279 HydrophobicContact CD1-CB 4.07Å; F266-A279 HydrophobicContact CE1-CB 4.13Å; F266-R316 HydrophobicContact CD1-CG 4.22Å; F266-R316 HydrophobicContact CE1-CG 3.6Å; F266-R316 HydrophobicContact CE2-CG 4.01Å; F266-R316 HydrophobicContact CZ-CB 4.18Å; F266-R316 HydrophobicContact CZ-CG 3.48Å; F266-R316 VanDerWaalsContact CZ-CG 3.48Å; F266-L317 HydrophobicContact CE1-CD2 3.88Å; F266-L317 HydrophobicContact CE1-CG 4.19Å; F266-L317 HydrophobicContact CZ-CD2 4.31Å; F266-L317 HydrophobicContact CZ-CG 4.22Å; F266-E320 WeakPolarHBondContact CD1-OE2 3.22Å
267Q96.8Very high96Very high70 Ų7042.7 Ų42.733%0.32723%0.227SC..  trans-127.577.5-179.3-68.3-171.4-22.400111.2E263 A264 H269 L270E263-Q267 HydrophobicContact CG-CB 4.42Å; E263-Q267 HydrophobicContact CG-CG 4.32Å; E263-Q267 PolarHBondContact O-N 3.03Å; A264-Q267 CarbonylContact O-C 3.56Å; Q267-H269 PolarHBondContact O-N 3.43Å; Q267-L270 HydrophobicContact CB-CD1 3.79Å; Q267-L270 HydrophobicContact CB-CG 3.91Å; Q267-L270 WeakPolarHBondContact O-CB 3.39Å; Q267-L270 WeakPolarHBondContact O-CG 3.27Å; Q267-L270 PolarHBondContact O-N 3.06Å; Q267-L270 VanDerWaalsContact O-N 3.09Å
268P96.4Very high96.1Very high3 Ų342.1 Ų42.12%0.01922%0.224CC..G310 helixtrans-50.5-32.8179.2-3439.7000115.4L182 I184 F266 L270 I271 V273L182-P268 HydrophobicContact CD1-CG 4.26Å; I184-P268 HydrophobicContact CD1-CB 3.53Å; I184-P268 HydrophobicContact CD1-CG 3.75Å; F266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-L270 PolarHBondContact O-N 2.67Å; P268-L270 VanDerWaalsContact O-N 3.13Å; P268-I271 VanDerWaalsContact O-CG1 3.26Å; P268-I271 WeakPolarHBondContact O-CG1 3.46Å; P268-I271 PolarHBondContact O-N 2.97Å; P268-I271 VanDerWaalsContact O-N 3.15Å; P268-V273 CarbonylContact C-O 3.45Å; P268-V273 VanDerWaalsContact C-O 3.31Å; P268-V273 HydrophobicContact CB-CB 4.19Å; P268-V273 HydrophobicContact CB-CG1 4.29Å; P268-V273 VanDerWaalsContact CB-O 3.29Å; P268-V273 WeakPolarHBondContact CB-O 3.29Å; P268-V273 PolarHBondContact O-N 2.9Å; P268-V273 VanDerWaalsContact O-N 3.15Å
269H95.9Very high96.1Very high118 Ų11840.3 Ų40.355%0.54622%0.218SC..G310 helixtrans-61.1-22.7-178.861.874.7000113.6Q267 I271 N272Q267-H269 PolarHBondContact O-N 3.43Å; H269-I271 PolarHBondContact O-N 3.02Å; H269-N272 PolarHBondContact O-N 3.19Å; H269-N272 VanDerWaalsContact O-N 3.1Å
270L94.8Very high96.1Very high48 Ų4842.6 Ų42.625%0.25123%0.228SC..G310 helixtrans-61.5-26.6177.7-66.2177.1000113Y192 E263 Q267 P268Y192-L270 HydrophobicContact CE1-CB 4.17Å; Y192-L270 HydrophobicContact CE1-CD1 4.36Å; E263-L270 HydrophobicContact CB-CD1 4.14Å; E263-L270 HydrophobicContact CG-CD1 4.04Å; Q267-L270 HydrophobicContact CB-CD1 3.79Å; Q267-L270 HydrophobicContact CB-CG 3.91Å; Q267-L270 WeakPolarHBondContact O-CB 3.39Å; Q267-L270 WeakPolarHBondContact O-CG 3.27Å; Q267-L270 PolarHBondContact O-N 3.06Å; Q267-L270 VanDerWaalsContact O-N 3.09Å; P268-L270 PolarHBondContact O-N 2.67Å; P268-L270 VanDerWaalsContact O-N 3.13Å
271I94.8Very high96.1Very high34 Ų3440.6 Ų40.617%0.17422%0.22CC..G310 helixtrans-112.819.1177.958.3165.7000112.4I184 D188 Y192 A264 P268 H269 V273I184-I271 HydrophobicContact CD1-CD1 3.87Å; I184-I271 HydrophobicContact CD1-CG1 4.33Å; I184-I271 HydrophobicContact CG1-CD1 3.94Å; I184-I271 HydrophobicContact CG2-CD1 3.97Å; D188-I271 HydrophobicContact CB-CD1 4.02Å; Y192-I271 HydrophobicContact CD1-CG2 3.87Å; Y192-I271 HydrophobicContact CD2-CG2 3.69Å; Y192-I271 HydrophobicContact CE1-CG2 4.46Å; Y192-I271 HydrophobicContact CE2-CG2 4.31Å; Y192-I271 HydrophobicContact CG-CG2 3.46Å; Y192-I271 VanDerWaalsContact CG-CG2 3.46Å; A264-I271 HydrophobicContact CB-CD1 4.38Å; A264-I271 HydrophobicContact CB-CG1 4.4Å; A264-I271 HydrophobicContact CB-CG2 4.08Å; P268-I271 VanDerWaalsContact O-CG1 3.26Å; P268-I271 WeakPolarHBondContact O-CG1 3.46Å; P268-I271 PolarHBondContact O-N 2.97Å; P268-I271 VanDerWaalsContact O-N 3.15Å; H269-I271 PolarHBondContact O-N 3.02Å; I271-V273 HydrophobicContact CD1-CB 4.48Å; I271-V273 HydrophobicContact CD1-CG2 3.77Å; I271-V273 HydrophobicContact CG1-CB 4.22Å; I271-V273 HydrophobicContact CG1-CG2 3.79Å; I271-V273 PolarHBondContact O-N 2.84Å
272N93.7Very high96.1Very high142 Ų14240.6 Ų40.676%0.75922%0.22SC*.THydrogen-bonded Turntrans5832.4-177.8-54.1-43.9000113.8H269H269-N272 PolarHBondContact O-N 3.19Å; H269-N272 VanDerWaalsContact O-N 3.1Å
273V92.9Very high96.1Very high41 Ų4141 Ų4125%0.24822%0.221CC..  trans-96.6127.5172.1174.20000108.5I184 P268 I271I184-V273 HydrophobicContact CD1-CB 4.02Å; I184-V273 HydrophobicContact CD1-CG1 3.97Å; I184-V273 HydrophobicContact CD1-CG2 4.42Å; I184-V273 HydrophobicContact CG1-CB 4.29Å; I184-V273 HydrophobicContact CG1-CG1 3.99Å; I184-V273 HydrophobicContact CG1-CG2 4.29Å; P268-V273 CarbonylContact C-O 3.45Å; P268-V273 VanDerWaalsContact C-O 3.31Å; P268-V273 HydrophobicContact CB-CB 4.19Å; P268-V273 HydrophobicContact CB-CG1 4.29Å; P268-V273 VanDerWaalsContact CB-O 3.29Å; P268-V273 WeakPolarHBondContact CB-O 3.29Å; P268-V273 PolarHBondContact O-N 2.9Å; P268-V273 VanDerWaalsContact O-N 3.15Å; I271-V273 HydrophobicContact CD1-CB 4.48Å; I271-V273 HydrophobicContact CD1-CG2 3.77Å; I271-V273 HydrophobicContact CG1-CB 4.22Å; I271-V273 HydrophobicContact CG1-CG2 3.79Å; I271-V273 PolarHBondContact O-N 2.84Å
274E90.4Very high96.1Very high194 Ų19443.8 Ų43.891%0.90724%0.236SC*.  trans-74.6138.6173.5-65.5-174.8174.900110.5
275G91.2Very high96.2Very high57 Ų5743.8 Ų43.859%0.58824%0.236SC*.SBendtrans133.4-179.5177.500000112.8
276V96.6Very high96.2Very high47 Ų4743.7 Ų43.729%0.28524%0.236SC..  trans-96.1153.2177.6-61.30000110.3E280 L281V276-E280 HydrophobicContact CB-CB 4.02Å; V276-E280 HydrophobicContact CB-CG 3.84Å; V276-E280 HydrophobicContact CG1-CG 4.05Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.16Å; V276-E280 HydrophobicContact CG2-CB 4.32Å; V276-E280 HydrophobicContact CG2-CG 4.09Å; V276-L281 HydrophobicContact CG2-CB 3.94Å; V276-L281 HydrophobicContact CG2-CD1 3.94Å
277G96.8Very high96.1Very high4 Ų445.2 Ų45.24%0.04124%0.243CC..  trans-65.3168.1176.500000113.6L265 F266 A279 E280 L281L265-G277 CarbonylContact O-C 3.55Å; L265-G277 WeakPolarHBondContact O-CA 3.17Å; F266-G277 VanDerWaalsContact O-CA 3.27Å; F266-G277 WeakPolarHBondContact O-CA 3.06Å; G277-A279 VanDerWaalsContact C-N 3.27Å; G277-A279 PolarHBondContact O-N 3.08Å; G277-E280 PolarHBondContact O-N 3.14Å; G277-L281 VanDerWaalsContact O-CB 3.32Å; G277-L281 WeakPolarHBondContact O-CB 3.41Å; G277-L281 PolarHBondContact O-N 3.01Å
278V97.8Very high96.1Very high7 Ų744.4 Ų44.44%0.04225%0.248CC..Hα-helixtrans-55.6-37.8-176.863.40000113.3V157 T164 I166 L182 L265 F266 L282 L317V157-V278 HydrophobicContact CG1-CG2 3.84Å; T164-V278 HydrophobicContact CG2-CG2 4.24Å; I166-V278 HydrophobicContact CD1-CG2 4.47Å; L182-V278 HydrophobicContact CD2-CB 4.33Å; L265-V278 HydrophobicContact CB-CG1 4.22Å; L265-V278 WeakPolarHBondContact O-CG1 3.4Å; L265-V278 PolarHBondContact O-N 3.17Å; F266-V278 HydrophobicContact CD1-CG1 3.99Å; F266-V278 HydrophobicContact CE1-CG1 3.84Å; F266-V278 HydrophobicContact CE2-CG1 4.47Å; F266-V278 HydrophobicContact CG-CG1 4.4Å; F266-V278 HydrophobicContact CZ-CG1 4.09Å; V278-L282 VanDerWaalsContact O-CB 3.22Å; V278-L282 WeakPolarHBondContact O-CB 3.28Å; V278-L282 PolarHBondContact O-N 3.12Å; V278-L317 HydrophobicContact CG1-CD2 4.04Å
279A98Very high96.2Very high0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-68.9-47.5179.800000112.3F266 G277 L282 F283 L317 E320 L321F266-A279 HydrophobicContact CD1-CB 4.07Å; F266-A279 HydrophobicContact CE1-CB 4.13Å; G277-A279 VanDerWaalsContact C-N 3.27Å; G277-A279 PolarHBondContact O-N 3.08Å; A279-L282 WeakPolarHBondContact O-CB 3.43Å; A279-L282 PolarHBondContact O-N 3.23Å; A279-F283 PolarHBondContact O-N 2.66Å; A279-L317 HydrophobicContact CB-CD2 3.93Å; A279-E320 HydrophobicContact CB-CB 3.8Å; A279-E320 VanDerWaalsContact CB-CD 3.45Å; A279-E320 HydrophobicContact CB-CG 3.62Å; A279-E320 WeakPolarHBondContact CB-OE1 3.4Å; A279-L321 WeakPolarHBondContact O-CD2 3.29Å
280E97.9Very high96.1Very high48 Ų4844.6 Ų44.622%0.22425%0.254CS..Hα-helixtrans-68.6-37.8177.2178.2169.6-159.800111.6V276 G277 L282 F283 N284 L324 R328V276-E280 HydrophobicContact CB-CB 4.02Å; V276-E280 HydrophobicContact CB-CG 3.84Å; V276-E280 HydrophobicContact CG1-CG 4.05Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.16Å; V276-E280 HydrophobicContact CG2-CB 4.32Å; V276-E280 HydrophobicContact CG2-CG 4.09Å; G277-E280 PolarHBondContact O-N 3.14Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.92Å; E280-F283 PolarHBondContact O-N 2.85Å; E280-N284 WeakPolarHBondContact O-CB 3.14Å; E280-N284 PolarHBondContact O-N 3.47Å; E280-N284 PolarHBondContact O-ND2 3.02Å; E280-L324 HydrophobicContact CB-CD1 4.11Å; E280-R328 IonicContact OE1-CZ 3.25Å; E280-R328 IonicContact OE1-NH1 3.31Å; E280-R328 PolarHBondContact OE1-NH1 3.01Å; E280-R328 IonicContact OE1-NH2 2.71Å; E280-R328 PolarHBondContact OE1-NH2 2.95Å
281L98.1Very high96.1Very high23 Ų2348.2 Ų48.212%0.1227%0.272CS..Hα-helixtrans-60.7-42.4173.8-167.164.9000111.1I166 R180 L182 V276 G277 T285I166-L281 HydrophobicContact CD1-CB 3.78Å; I166-L281 HydrophobicContact CD1-CD2 3.88Å; I166-L281 HydrophobicContact CD1-CG 3.77Å; I166-L281 HydrophobicContact CG1-CD2 4.36Å; R180-L281 HydrophobicContact CB-CD1 3.91Å; R180-L281 HydrophobicContact CB-CD2 4.12Å; R180-L281 HydrophobicContact CB-CG 3.99Å; R180-L281 HydrophobicContact CG-CD1 4.21Å; L182-L281 HydrophobicContact CB-CD2 3.84Å; V276-L281 HydrophobicContact CG2-CB 3.94Å; V276-L281 HydrophobicContact CG2-CD1 3.94Å; G277-L281 VanDerWaalsContact O-CB 3.32Å; G277-L281 WeakPolarHBondContact O-CB 3.41Å; G277-L281 PolarHBondContact O-N 3.01Å; L281-T285 VanDerWaalsContact O-CB 3.3Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 2.97Å; L281-T285 PolarHBondContact O-OG1 3.34Å
282L98.3Very high96.1Very high0 Ų053.7 Ų53.70%030%0.301CS..Hα-helixtrans-63-48.1176.1179.853.9000111.5V155 V157 I166 V278 A279 E280 N284 T285 I286 I301 L321V155-L282 HydrophobicContact CB-CD1 4.4Å; V155-L282 HydrophobicContact CG1-CD1 3.59Å; V157-L282 HydrophobicContact CG2-CD1 3.97Å; V157-L282 HydrophobicContact CG2-CD2 3.77Å; V157-L282 HydrophobicContact CG2-CG 4.45Å; I166-L282 VanDerWaalsContact CD1-CA 3.49Å; I166-L282 HydrophobicContact CD1-CB 3.74Å; I166-L282 HydrophobicContact CD1-CD1 4.47Å; I166-L282 VanDerWaalsContact CD1-N 3.28Å; I166-L282 HydrophobicContact CG2-CD1 3.69Å; V278-L282 VanDerWaalsContact O-CB 3.22Å; V278-L282 WeakPolarHBondContact O-CB 3.28Å; V278-L282 PolarHBondContact O-N 3.12Å; A279-L282 WeakPolarHBondContact O-CB 3.43Å; A279-L282 PolarHBondContact O-N 3.23Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.92Å; L282-N284 PolarHBondContact O-N 2.82Å; L282-T285 PolarHBondContact O-N 2.95Å; L282-I286 HydrophobicContact CD1-CD1 3.91Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CG-CD1 4.2Å; L282-I286 WeakPolarHBondContact O-CG1 3.45Å; L282-I286 PolarHBondContact O-N 3.25Å; L282-I301 HydrophobicContact CD2-CD1 4.24Å; L282-I301 HydrophobicContact CD2-CG2 3.96Å; L282-L321 HydrophobicContact CB-CD2 4.4Å; L282-L321 HydrophobicContact CD2-CD1 3.77Å; L282-L321 HydrophobicContact CD2-CD2 4.4Å; L282-L321 HydrophobicContact CG-CD1 4.33Å; L282-L321 HydrophobicContact CG-CD2 4.26Å
283F98.3Very high96.1Very high8 Ų847.8 Ų47.84%0.03527%0.271CS..Hα-helixtrans-57.6-50.8176.4176.9-94.7000111.6A279 E280 T285 I286 Q287 Y298 L321 L324 Y325 R328 V329A279-F283 PolarHBondContact O-N 2.66Å; E280-F283 PolarHBondContact O-N 2.85Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 2.88Å; F283-I286 PolarHBondContact O-N 3.27Å; F283-Q287 HydrophobicContact CD1-CG 4.11Å; F283-Q287 HydrophobicContact CD2-CG 4.34Å; F283-Q287 HydrophobicContact CE1-CG 3.69Å; F283-Q287 HydrophobicContact CE2-CG 3.92Å; F283-Q287 HydrophobicContact CG-CG 4.41Å; F283-Q287 HydrophobicContact CZ-CG 3.58Å; F283-Q287 WeakPolarHBondContact O-CB 3.36Å; F283-Q287 WeakPolarHBondContact O-CG 3.36Å; F283-Q287 PolarHBondContact O-N 2.73Å; F283-Y298 VanDerWaalsContact CD2-OH 3.27Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.5Å; F283-Y298 WeakPolarHBondContact CE2-OH 3.46Å; F283-L321 HydrophobicContact CB-CD2 3.77Å; F283-L324 HydrophobicContact CB-CB 4.49Å; F283-L324 HydrophobicContact CB-CD1 3.76Å; F283-L324 HydrophobicContact CD1-CB 4.36Å; F283-L324 HydrophobicContact CD2-CB 3.84Å; F283-L324 HydrophobicContact CE2-CB 4.13Å; F283-L324 HydrophobicContact CG-CB 3.97Å; F283-L324 HydrophobicContact CG-CD1 4.09Å; F283-Y325 HydrophobicContact CE2-CD2 4.27Å; F283-R328 HydrophobicContact CE1-CB 4.32Å; F283-R328 HydrophobicContact CZ-CB 4.12Å; F283-V329 HydrophobicContact CE2-CG2 4.01Å; F283-V329 HydrophobicContact CZ-CG2 3.72Å
284N97.9Very high96.3Very high62 Ų6248.8 Ų48.833%0.33227%0.27SS..Hα-helixtrans-62.1-37.7179.9-69.5-19000111.6E280 L282 Q287 A288E280-N284 WeakPolarHBondContact O-CB 3.14Å; E280-N284 PolarHBondContact O-N 3.47Å; E280-N284 PolarHBondContact O-ND2 3.02Å; L282-N284 PolarHBondContact O-N 2.82Å; N284-Q287 PolarHBondContact O-N 3.05Å; N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 3.12Å
285T97.8Very high96.5Very high1 Ų142.9 Ų42.91%0.00625%0.249CC..Hα-helixtrans-64.3-45.9176.9-59.70000111.4I166 P168 L178 R180 L281 L282 F283 A288I166-T285 HydrophobicContact CG2-CG2 3.85Å; P168-T285 HydrophobicContact CG-CG2 3.48Å; P168-T285 VanDerWaalsContact CG-CG2 3.48Å; L178-T285 VanDerWaalsContact O-CG2 3.26Å; L178-T285 WeakPolarHBondContact O-CG2 2.99Å; R180-T285 HydrophobicContact CG-CG2 4.48Å; R180-T285 WeakPolarHBondContact CG-OG1 3.37Å; L281-T285 VanDerWaalsContact O-CB 3.3Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 2.97Å; L281-T285 PolarHBondContact O-OG1 3.34Å; L282-T285 PolarHBondContact O-N 2.95Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 2.88Å; T285-A288 PolarHBondContact O-N 3.21Å
286I97.8Very high96.7Very high0 Ų043.6 Ų43.60%024%0.236CC..Hα-helixtrans-65.9-43.8176.7-65.3170.4000110.3V155 L282 F283 A288 A289 R294 F297 Y298 I301V155-I286 HydrophobicContact CG2-CD1 4.43Å; V155-I286 HydrophobicContact CG2-CG1 4.03Å; L282-I286 HydrophobicContact CD1-CD1 3.91Å; L282-I286 HydrophobicContact CD1-CG1 4.31Å; L282-I286 HydrophobicContact CG-CD1 4.2Å; L282-I286 WeakPolarHBondContact O-CG1 3.45Å; L282-I286 PolarHBondContact O-N 3.25Å; F283-I286 PolarHBondContact O-N 3.27Å; I286-A288 PolarHBondContact O-N 3.15Å; I286-A289 VanDerWaalsContact O-CB 3.27Å; I286-A289 WeakPolarHBondContact O-CB 2.97Å; I286-A289 PolarHBondContact O-N 2.77Å; I286-R294 HydrophobicContact CG2-CB 4.23Å; I286-R294 HydrophobicContact CG2-CG 4.13Å; I286-R294 VanDerWaalsContact O-CG 3.31Å; I286-R294 WeakPolarHBondContact O-CG 3.19Å; I286-F297 HydrophobicContact CD1-CB 4.5Å; I286-F297 HydrophobicContact CG1-CB 4.22Å; I286-F297 HydrophobicContact CG2-CB 4.06Å; I286-Y298 HydrophobicContact CB-CE1 4.36Å; I286-Y298 HydrophobicContact CB-CE2 4.44Å; I286-Y298 HydrophobicContact CD1-CD1 3.78Å; I286-Y298 HydrophobicContact CD1-CE1 3.69Å; I286-Y298 HydrophobicContact CD1-CG 4.42Å; I286-Y298 HydrophobicContact CG2-CD1 4.39Å; I286-Y298 HydrophobicContact CG2-CD2 3.81Å; I286-Y298 HydrophobicContact CG2-CE1 4.05Å; I286-Y298 HydrophobicContact CG2-CE2 3.43Å; I286-Y298 VanDerWaalsContact CG2-CE2 3.43Å; I286-Y298 HydrophobicContact CG2-CG 4.27Å; I286-I301 HydrophobicContact CD1-CD1 4.13Å; I286-I301 HydrophobicContact CD1-CG1 4.39Å
287Q96.9Very high96.7Very high43 Ų4341.3 Ų41.320%0.20122%0.223CC..Hα-helixtrans-67.5-22-179.9-70.6-58.9-33.200114.1F283 N284 A289 R294 Y298F283-Q287 HydrophobicContact CD1-CG 4.11Å; F283-Q287 HydrophobicContact CD2-CG 4.34Å; F283-Q287 HydrophobicContact CE1-CG 3.69Å; F283-Q287 HydrophobicContact CE2-CG 3.92Å; F283-Q287 HydrophobicContact CG-CG 4.41Å; F283-Q287 HydrophobicContact CZ-CG 3.58Å; F283-Q287 WeakPolarHBondContact O-CB 3.36Å; F283-Q287 WeakPolarHBondContact O-CG 3.36Å; F283-Q287 PolarHBondContact O-N 2.73Å; N284-Q287 PolarHBondContact O-N 3.05Å; Q287-A289 VanDerWaalsContact C-N 3.3Å; Q287-R294 PolarHBondContact O-NE 3.28Å; Q287-R294 PolarHBondContact O-NH2 2.97Å; Q287-Y298 PolarHBondContact NE2-OH 2.9Å
288A97.1Very high96.8Very high52 Ų5241.4 Ų41.443%0.4322%0.222SC..THydrogen-bonded Turntrans-77.5-15.1173.100000113.2L178 N284 T285 I286L178-A288 HydrophobicContact CD2-CB 3.8Å; N284-A288 WeakPolarHBondContact O-CB 3.47Å; N284-A288 PolarHBondContact O-N 3.12Å; T285-A288 PolarHBondContact O-N 3.21Å; I286-A288 PolarHBondContact O-N 3.15Å
289A96.6Very high96.7Very high3 Ų345 Ų453%0.02524%0.237CC..SBendtrans-75.3169.1175.700000112.6L178 I286 Q287 R294 F297L178-A289 HydrophobicContact CD1-CB 3.73Å; I286-A289 VanDerWaalsContact O-CB 3.27Å; I286-A289 WeakPolarHBondContact O-CB 2.97Å; I286-A289 PolarHBondContact O-N 2.77Å; Q287-A289 VanDerWaalsContact C-N 3.3Å; A289-R294 HydrophobicContact CB-CG 4.48Å; A289-R294 VanDerWaalsContact O-CZ 3.25Å; A289-R294 PolarHBondContact O-NE 3.14Å; A289-R294 PolarHBondContact O-NH2 3.03Å; A289-F297 HydrophobicContact CB-CD2 3.9Å; A289-F297 HydrophobicContact CB-CE2 3.58Å
290D95.2Very high96.6Very high123 Ų12346.4 Ų46.466%0.65824%0.243SC*.  trans-60.8142.5175.5-66-25.9000111.5D292 T293 R294D290-D292 PolarHBondContact O-N 2.72Å; D290-D292 VanDerWaalsContact O-N 3.12Å; D290-T293 HydrophobicContact CB-CG2 4.35Å; D290-T293 PolarHBondContact O-N 3.12Å; D290-T293 PolarHBondContact O-OG1 3.26Å; D290-T293 VanDerWaalsContact O-OG1 3.05Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-N 3.41Å
291I94.3Very high96.6Very high123 Ų12344.1 Ų44.163%0.63123%0.233SC*.THydrogen-bonded Turntrans-56.3-35.7-173.6-66171.3000111.3P295I291-P295 WeakPolarHBondContact O-CD 3.2Å
292D94.6Very high96.6Very high149 Ų14943 Ų4380%0.79723%0.227SC*.THydrogen-bonded Turntrans-73.3-26.4-177.5-62.1-25.7000113.1D290D290-D292 PolarHBondContact O-N 2.72Å; D290-D292 VanDerWaalsContact O-N 3.12Å
293T94.9Very high96.6Very high19 Ų1943 Ų4312%0.11723%0.227CC..THydrogen-bonded Turntrans-89.3-23.2-179.969.30000112.6Y170 D290 E296 F297Y170-T293 HydrophobicContact CD2-CG2 3.99Å; Y170-T293 HydrophobicContact CE2-CG2 3.77Å; D290-T293 HydrophobicContact CB-CG2 4.35Å; D290-T293 PolarHBondContact O-N 3.12Å; D290-T293 PolarHBondContact O-OG1 3.26Å; D290-T293 VanDerWaalsContact O-OG1 3.05Å; T293-E296 WeakPolarHBondContact O-CB 3.45Å; T293-E296 PolarHBondContact O-N 3.26Å; T293-E296 VanDerWaalsContact O-N 3.09Å; T293-F297 PolarHBondContact O-N 3.02Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.25Å
294R96.1Very high96.5Very high62 Ų6242.7 Ų42.723%0.23423%0.226CC..Hα-helixtrans-53-46.5-178.7-70.4174.9-157.7179.111.5114.2I286 Q287 A289 D290 E296 F297 Y298I286-R294 HydrophobicContact CG2-CB 4.23Å; I286-R294 HydrophobicContact CG2-CG 4.13Å; I286-R294 VanDerWaalsContact O-CG 3.31Å; I286-R294 WeakPolarHBondContact O-CG 3.19Å; Q287-R294 PolarHBondContact O-NE 3.28Å; Q287-R294 PolarHBondContact O-NH2 2.97Å; A289-R294 HydrophobicContact CB-CG 4.48Å; A289-R294 VanDerWaalsContact O-CZ 3.25Å; A289-R294 PolarHBondContact O-NE 3.14Å; A289-R294 PolarHBondContact O-NH2 3.03Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-N 3.41Å; R294-E296 PolarHBondContact O-N 3.32Å; R294-F297 PolarHBondContact O-N 3.05Å; R294-Y298 VanDerWaalsContact O-CD2 3.24Å; R294-Y298 WeakPolarHBondContact O-CD2 3.27Å; R294-Y298 PolarHBondContact O-N 3.42Å
295P95.1Very high96.3Very high70 Ų7040 Ų4046%0.45521%0.213SC..Hα-helixtrans-60.9-35.2179.8-2334.7000112.3I291 K299I291-P295 WeakPolarHBondContact O-CD 3.2Å; P295-K299 VanDerWaalsContact O-CG 3.28Å; P295-K299 WeakPolarHBondContact O-CG 3.46Å; P295-K299 PolarHBondContact O-N 3.1Å
296E95.3Very high96.1Very high71 Ų7141.6 Ų41.633%0.33223%0.23SC..Hα-helixtrans-72-42.2178.4-162.163.4-172.200111.2T153 T293 R294 Y298 K299 H300T153-E296 HydrophobicContact CG2-CB 4.37Å; T153-E296 HydrophobicContact CG2-CG 3.73Å; T293-E296 WeakPolarHBondContact O-CB 3.45Å; T293-E296 PolarHBondContact O-N 3.26Å; T293-E296 VanDerWaalsContact O-N 3.09Å; R294-E296 PolarHBondContact O-N 3.32Å; E296-Y298 PolarHBondContact O-N 2.89Å; E296-K299 PolarHBondContact O-N 3.19Å; E296-K299 VanDerWaalsContact O-N 3.15Å; E296-H300 PolarHBondContact O-CD2 3.27Å; E296-H300 PolarHBondContact O-N 3.33Å; E296-H300 VanDerWaalsContact O-N 3.08Å; E296-H300 IonicContact OE1-CD2 3.21Å; E296-H300 PolarHBondContact OE1-CD2 2.97Å; E296-H300 VanDerWaalsContact OE1-CD2 3.25Å; E296-H300 IonicContact OE1-NE2 3.93Å; E296-H300 PolarHBondContact OE1-NE2 3.25Å
297F97.3Very high96.1Very high0 Ų041.9 Ų41.90%023%0.232CC..Hα-helixtrans-60.2-41.1173.9-71.4-19.6000113.3T153 V155 P168 V169 L175 I286 A289 T293 R294 K299 H300 I301T153-F297 HydrophobicContact CG2-CD1 4.14Å; T153-F297 HydrophobicContact CG2-CE1 3.83Å; V155-F297 HydrophobicContact CG2-CB 3.59Å; V155-F297 HydrophobicContact CG2-CD1 3.75Å; V155-F297 HydrophobicContact CG2-CD2 4.1Å; V155-F297 HydrophobicContact CG2-CE1 4.45Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; P168-F297 HydrophobicContact CB-CE1 4.46Å; P168-F297 HydrophobicContact CB-CE2 4.11Å; P168-F297 HydrophobicContact CB-CZ 3.95Å; V169-F297 WeakPolarHBondContact O-CE1 3.39Å; L175-F297 HydrophobicContact CD1-CZ 4.07Å; I286-F297 HydrophobicContact CD1-CB 4.5Å; I286-F297 HydrophobicContact CG1-CB 4.22Å; I286-F297 HydrophobicContact CG2-CB 4.06Å; A289-F297 HydrophobicContact CB-CD2 3.9Å; A289-F297 HydrophobicContact CB-CE2 3.58Å; T293-F297 PolarHBondContact O-N 3.02Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.25Å; R294-F297 PolarHBondContact O-N 3.05Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 3.41Å; F297-H300 CarbonylContact O-C 3.56Å; F297-H300 PolarHBondContact O-N 3.17Å; F297-I301 VanDerWaalsContact O-CG1 3.28Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å
298Y97.4Very high96.1Very high5 Ų540 Ų402%0.0222%0.223CC..Hα-helixtrans-67.7-27.7176.1-79.2-61.3000113.7F283 I286 Q287 R294 E296 I301 Y325 F340 I342 R343F283-Y298 VanDerWaalsContact CD2-OH 3.27Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.5Å; F283-Y298 WeakPolarHBondContact CE2-OH 3.46Å; I286-Y298 HydrophobicContact CB-CE1 4.36Å; I286-Y298 HydrophobicContact CB-CE2 4.44Å; I286-Y298 HydrophobicContact CD1-CD1 3.78Å; I286-Y298 HydrophobicContact CD1-CE1 3.69Å; I286-Y298 HydrophobicContact CD1-CG 4.42Å; I286-Y298 HydrophobicContact CG2-CD1 4.39Å; I286-Y298 HydrophobicContact CG2-CD2 3.81Å; I286-Y298 HydrophobicContact CG2-CE1 4.05Å; I286-Y298 HydrophobicContact CG2-CE2 3.43Å; I286-Y298 VanDerWaalsContact CG2-CE2 3.43Å; I286-Y298 HydrophobicContact CG2-CG 4.27Å; Q287-Y298 PolarHBondContact NE2-OH 2.9Å; R294-Y298 VanDerWaalsContact O-CD2 3.24Å; R294-Y298 WeakPolarHBondContact O-CD2 3.27Å; R294-Y298 PolarHBondContact O-N 3.42Å; E296-Y298 PolarHBondContact O-N 2.89Å; Y298-I301 HydrophobicContact CD1-CD1 4.36Å; Y298-Y325 HydrophobicContact CE2-CD2 4.34Å; Y298-Y325 HydrophobicContact CE2-CE2 4.23Å; Y298-F340 AromaticContact CD1-CE2 3.89Å; Y298-F340 HydrophobicContact CD1-CE2 3.89Å; Y298-F340 AromaticContact CD1-CZ 3.62Å; Y298-F340 HydrophobicContact CD1-CZ 3.62Å; Y298-F340 AromaticContact CD2-CE2 3.73Å; Y298-F340 HydrophobicContact CD2-CE2 3.73Å; Y298-F340 HydrophobicContact CD2-CZ 4.3Å; Y298-F340 HydrophobicContact CE1-CE2 4.2Å; Y298-F340 AromaticContact CE1-CZ 3.82Å; Y298-F340 HydrophobicContact CE1-CZ 3.82Å; Y298-F340 HydrophobicContact CE2-CE2 4.03Å; Y298-F340 HydrophobicContact CE2-CZ 4.45Å; Y298-F340 AromaticContact CG-CE2 3.65Å; Y298-F340 HydrophobicContact CG-CE2 3.65Å; Y298-F340 AromaticContact CG-CZ 3.89Å; Y298-F340 HydrophobicContact CG-CZ 3.89Å; Y298-I342 WeakPolarHBondContact O-CA 3.36Å; Y298-R343 PolarHBondContact O-N 2.83Å
299K96Very high96.1Very high84 Ų8440.9 Ų40.937%0.36522%0.219SC..Hα-helixtrans-81.6-17.5175.9-70.5172.3-169.51700113.6P295 E296 F297 K341 R343P295-K299 VanDerWaalsContact O-CG 3.28Å; P295-K299 WeakPolarHBondContact O-CG 3.46Å; P295-K299 PolarHBondContact O-N 3.1Å; E296-K299 PolarHBondContact O-N 3.19Å; E296-K299 VanDerWaalsContact O-N 3.15Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 3.41Å; K299-K341 HydrophobicContact CG-CB 4.38Å; K299-R343 VanDerWaalsContact O-CB 3.31Å; K299-R343 WeakPolarHBondContact O-CB 3.47Å
300H96.4Very high96.2Very high28 Ų2841.4 Ų41.413%0.1322%0.22CC..  trans-130.457-174.6-66.4-62.5000111L151 G154 V155 E296 F297 E345L151-H300 HydrophobicContact CD1-CB 4.32Å; G154-H300 CarbonylContact C-O 3.58Å; G154-H300 WeakPolarHBondContact CA-O 3.36Å; V155-H300 PolarHBondContact N-O 3.23Å; E296-H300 PolarHBondContact O-CD2 3.27Å; E296-H300 PolarHBondContact O-N 3.33Å; E296-H300 VanDerWaalsContact O-N 3.08Å; E296-H300 IonicContact OE1-CD2 3.21Å; E296-H300 PolarHBondContact OE1-CD2 2.97Å; E296-H300 VanDerWaalsContact OE1-CD2 3.25Å; E296-H300 IonicContact OE1-NE2 3.93Å; E296-H300 PolarHBondContact OE1-NE2 3.25Å; F297-H300 CarbonylContact O-C 3.56Å; F297-H300 PolarHBondContact O-N 3.17Å; H300-E345 IonicContact ND1-OE1 3.01Å
301I98.1Very high96.3Very high0 Ų039.6 Ų39.60%022%0.215CC..EExtended strand (participates in β ladder)trans-87.2120.3168.7-57.1173.4000107.4V155 V157 L282 I286 F297 Y298 L321 I342 R343 I344 E345V155-I301 CarbonylContact O-C 3.47Å; V155-I301 WeakPolarHBondContact O-CA 3.45Å; V157-I301 HydrophobicContact CG2-CG2 4.11Å; L282-I301 HydrophobicContact CD2-CD1 4.24Å; L282-I301 HydrophobicContact CD2-CG2 3.96Å; I286-I301 HydrophobicContact CD1-CD1 4.13Å; I286-I301 HydrophobicContact CD1-CG1 4.39Å; F297-I301 VanDerWaalsContact O-CG1 3.28Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å; Y298-I301 HydrophobicContact CD1-CD1 4.36Å; I301-L321 HydrophobicContact CD1-CD1 3.67Å; I301-I342 HydrophobicContact CD1-CD1 4.41Å; I301-I342 HydrophobicContact CD1-CG1 4.35Å; I301-R343 PolarHBondContact N-O 2.79Å; I301-I344 HydrophobicContact CB-CG1 4.2Å; I301-I344 HydrophobicContact CD1-CG1 4.21Å; I301-I344 HydrophobicContact CG2-CG1 4.28Å; I301-I344 HydrophobicContact CG2-CG2 4.38Å; I301-I344 CarbonylContact O-C 3.49Å; I301-I344 WeakPolarHBondContact O-CA 3.5Å; I301-E345 PolarHBondContact O-N 3.37Å
302V97.8Very high96.5Very high0 Ų035.1 Ų35.10%020%0.2CC..EExtended strand (participates in β ladder)trans-117.4126.1-176175.80000109.9L146 L151 V155 V156 V157 E345 M353L146-V302 HydrophobicContact CD2-CB 3.92Å; L146-V302 HydrophobicContact CD2-CG2 3.58Å; L151-V302 HydrophobicContact CD1-CG2 3.88Å; V155-V302 PolarHBondContact O-N 3.02Å; V156-V302 WeakPolarHBondContact CA-O 3.17Å; V157-V302 PolarHBondContact N-O 2.84Å; V302-E345 HydrophobicContact CG2-CB 4.32Å; V302-M353 HydrophobicContact CG1-CE 3.34Å; V302-M353 HydrophobicContact CG1-SD 4.1Å
303L97.8Very high96.6Very high0 Ų028.3 Ų28.30%016%0.163CC..EExtended strand (participates in β ladder)trans-89.5132.1177.6-57.1-173.9000111.2V157 T308 L313 P314 L317 I344 E345 D346 R350 M353V157-L303 HydrophobicContact CB-CD2 3.82Å; V157-L303 HydrophobicContact CG1-CD2 4.36Å; V157-L303 HydrophobicContact CG2-CD2 4.2Å; L303-T308 HydrophobicContact CB-CG2 4.27Å; L303-L313 HydrophobicContact CD1-CD2 3.64Å; L303-P314 HydrophobicContact CD1-CB 4.16Å; L303-P314 HydrophobicContact CD1-CG 3.85Å; L303-L317 HydrophobicContact CD1-CD1 4.42Å; L303-L317 HydrophobicContact CD2-CD1 3.79Å; L303-I344 HydrophobicContact CD1-CG2 3.82Å; L303-I344 HydrophobicContact CD2-CG2 3.99Å; L303-I344 HydrophobicContact CG-CG2 3.73Å; L303-E345 PolarHBondContact N-O 3.38Å; L303-D346 HydrophobicContact CD1-CB 3.96Å; L303-R350 VanDerWaalsContact O-CB 3.29Å; L303-R350 WeakPolarHBondContact O-CB 3.16Å; L303-M353 WeakPolarHBondContact O-CE 3.36Å
304S95.9Very high96.8Very high1 Ų128.2 Ų28.21%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-135.3155.4175.9172.70000111.3T145 V157 D158 S159 T308T145-S304 WeakPolarHBondContact CG2-OG 3.26Å; V157-S304 PolarHBondContact O-N 3.34Å; D158-S304 WeakPolarHBondContact CA-O 3.25Å; D158-S304 VanDerWaalsContact OD1-C 3.27Å; D158-S304 VanDerWaalsContact OD1-CB 3.23Å; D158-S304 WeakPolarHBondContact OD1-CB 3.43Å; D158-S304 PolarHBondContact OD1-OG 2.91Å; S159-S304 PolarHBondContact N-O 3.2Å; S304-T308 WeakPolarHBondContact O-CG2 3.44Å; S304-T308 PolarHBondContact O-OG1 3.48Å
305G93.9Very high96.8Very high7 Ų728.2 Ų28.27%0.07217%0.173CC..SBendtrans93157171.400000113.6D158 S159 S307 T308 R350D158-G305 PolarHBondContact OD1-N 3.29Å; S159-G305 CarbonylContact O-C 3.54Å; S159-G305 WeakPolarHBondContact O-CA 3.49Å; G305-S307 VanDerWaalsContact C-N 3.29Å; G305-S307 PolarHBondContact O-N 3.39Å; G305-T308 PolarHBondContact O-N 3.29Å; G305-T308 VanDerWaalsContact O-N 3.15Å; G305-T308 PolarHBondContact O-OG1 2.63Å; G305-R350 PolarHBondContact N-O 3.03Å
306G94.5Very high97Very high34 Ų3425.7 Ų25.735%0.35115%0.154SC..G310 helixtrans-62.5-31.6-170.300000114.5S159 T308 M309S159-G306 PolarHBondContact O-N 3.18Å; G306-T308 PolarHBondContact O-N 3.1Å; G306-M309 VanDerWaalsContact O-CB 3.27Å; G306-M309 WeakPolarHBondContact O-CB 3.36Å; G306-M309 VanDerWaalsContact O-CG 3.29Å; G306-M309 WeakPolarHBondContact O-CG 3.46Å; G306-M309 PolarHBondContact O-N 3.37Å
307S97.1Very high97.1Very high6 Ų622.4 Ų22.44%0.04214%0.138CC..G310 helixtrans-80.1-2.1-179.2-60.50000113.2S159 G160 G186 G305 M309 Y310S159-S307 WeakPolarHBondContact O-CB 3.42Å; S159-S307 PolarHBondContact O-N 3.06Å; S159-S307 VanDerWaalsContact OG-CB 3.28Å; S159-S307 WeakPolarHBondContact OG-CB 3.32Å; G160-S307 PolarHBondContact O-OG 3.22Å; G186-S307 WeakPolarHBondContact CA-OG 3.43Å; G186-S307 PolarHBondContact N-OG 3.44Å; G186-S307 VanDerWaalsContact N-OG 3.12Å; G305-S307 VanDerWaalsContact C-N 3.29Å; G305-S307 PolarHBondContact O-N 3.39Å; S307-M309 VanDerWaalsContact C-N 3.34Å; S307-Y310 WeakPolarHBondContact O-CD2 3.21Å; S307-Y310 VanDerWaalsContact O-CE2 3.28Å; S307-Y310 WeakPolarHBondContact O-CE2 3.32Å
308T97.7Very high97.1Very high2 Ų225.6 Ų25.61%0.01215%0.153CC..G310 helixtrans-90.22.3167.668.20000113.1L303 S304 G305 G306 Y310 R350L303-T308 HydrophobicContact CB-CG2 4.27Å; S304-T308 WeakPolarHBondContact O-CG2 3.44Å; S304-T308 PolarHBondContact O-OG1 3.48Å; G305-T308 PolarHBondContact O-N 3.29Å; G305-T308 VanDerWaalsContact O-N 3.15Å; G305-T308 PolarHBondContact O-OG1 2.63Å; G306-T308 PolarHBondContact O-N 3.1Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-R350 PolarHBondContact O-NE 3.26Å; T308-R350 PolarHBondContact O-NH2 3.46Å
309M97.3Very high97Very high72 Ų7227.7 Ų27.736%0.35516%0.161SC..  trans-82.9-5.8-178.3-63.2-61.2-61.300113.8G306 S307 R350 K351G306-M309 VanDerWaalsContact O-CB 3.27Å; G306-M309 WeakPolarHBondContact O-CB 3.36Å; G306-M309 VanDerWaalsContact O-CG 3.29Å; G306-M309 WeakPolarHBondContact O-CG 3.46Å; G306-M309 PolarHBondContact O-N 3.37Å; S307-M309 VanDerWaalsContact C-N 3.34Å; M309-R350 HydrophobicContact SD-CG 3.38Å; M309-R350 WeakPolarHBondContact SD-CG 3.26Å; M309-K351 HydrophobicContact CG-CB 4.1Å; M309-K351 HydrophobicContact CG-CG 4.49Å; M309-K351 HydrophobicContact SD-CB 4.03Å
310Y97.8Very high97.1Very high14 Ų1425.1 Ų25.16%0.05515%0.151CC..SBendtrans-58.9130.2177.7-64.9-68.8000111.2I189 K217 C221 V223 P262 L265 S307 T308 G312 L313I189-Y310 HydrophobicContact CD1-CE2 3.84Å; I189-Y310 WeakPolarHBondContact CG2-OH 3.23Å; K217-Y310 WeakPolarHBondContact CD-OH 3.37Å; K217-Y310 WeakPolarHBondContact CE-OH 3.47Å; K217-Y310 HydrophobicContact CG-CE1 4.12Å; K217-Y310 WeakPolarHBondContact CG-OH 3.47Å; C221-Y310 HydrophobicContact CB-CD1 4.1Å; C221-Y310 HydrophobicContact CB-CE1 3.82Å; V223-Y310 HydrophobicContact CG2-CD2 4.43Å; V223-Y310 HydrophobicContact CG2-CG 4.26Å; P262-Y310 HydrophobicContact CB-CD1 4.38Å; P262-Y310 HydrophobicContact CB-CD2 4.27Å; P262-Y310 HydrophobicContact CB-CE1 4.4Å; P262-Y310 HydrophobicContact CB-CE2 4.31Å; P262-Y310 HydrophobicContact CB-CG 4.33Å; P262-Y310 HydrophobicContact CG-CD1 3.92Å; P262-Y310 HydrophobicContact CG-CE1 3.78Å; P262-Y310 HydrophobicContact CG-CG 4.35Å; L265-Y310 HydrophobicContact CD1-CD2 4.42Å; L265-Y310 HydrophobicContact CD1-CE2 4.29Å; S307-Y310 WeakPolarHBondContact O-CD2 3.21Å; S307-Y310 VanDerWaalsContact O-CE2 3.28Å; S307-Y310 WeakPolarHBondContact O-CE2 3.32Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.07Å; Y310-L313 HydrophobicContact CD2-CD1 4.32Å; Y310-L313 WeakPolarHBondContact O-CB 3.47Å; Y310-L313 PolarHBondContact O-N 2.96Å
311P98.1Very high97.1Very high84 Ų8423.8 Ų23.855%0.54515%0.145SC..THydrogen-bonded Turntrans-55.3136.5170.1-24.334000110.6V223 L313V223-P311 PolarHBondContact N-O 2.88Å; P311-L313 VanDerWaalsContact C-N 3.32Å; P311-L313 PolarHBondContact O-N 2.79Å
312G97Very high97Very high30 Ų3027.3 Ų27.331%0.30916%0.16SC..THydrogen-bonded Turntrans85.8-14179.400000115.8Y310 S315 R316Y310-G312 PolarHBondContact O-N 3.07Å; G312-S315 PolarHBondContact O-N 3.39Å; G312-R316 WeakPolarHBondContact O-CB 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å
313L98Very high96.9Very high6 Ų631 Ų313%0.03118%0.177CC..Hα-helixtrans-58.8-46.6-178.5179.1141.4000113.8V223 L265 L303 Y310 P311 S315 R316 L317V223-L313 HydrophobicContact CB-CB 4.18Å; V223-L313 HydrophobicContact CG2-CB 3.92Å; V223-L313 HydrophobicContact CG2-CD1 4.16Å; V223-L313 HydrophobicContact CG2-CG 4.47Å; L265-L313 HydrophobicContact CD1-CD1 4.17Å; L303-L313 HydrophobicContact CD1-CD2 3.64Å; Y310-L313 HydrophobicContact CD2-CD1 4.32Å; Y310-L313 WeakPolarHBondContact O-CB 3.47Å; Y310-L313 PolarHBondContact O-N 2.96Å; P311-L313 VanDerWaalsContact C-N 3.32Å; P311-L313 PolarHBondContact O-N 2.79Å; L313-S315 PolarHBondContact O-N 3Å; L313-R316 PolarHBondContact O-N 3.39Å; L313-L317 HydrophobicContact CD2-CD1 3.75Å; L313-L317 HydrophobicContact CG-CD1 4.3Å; L313-L317 PolarHBondContact O-N 2.66Å
314P97.7Very high96.9Very high16 Ų1631.7 Ų31.710%0.10418%0.181CC..Hα-helixtrans-60.3-44.1177.2-22.232.7000112.5L303 L317 E318 I344 D346L303-P314 HydrophobicContact CD1-CB 4.16Å; L303-P314 HydrophobicContact CD1-CG 3.85Å; P314-L317 PolarHBondContact O-N 2.98Å; P314-E318 PolarHBondContact O-N 2.78Å; P314-I344 HydrophobicContact CB-CG2 4.46Å; P314-D346 HydrophobicContact CB-CB 4.12Å; P314-D346 HydrophobicContact CG-CB 3.65Å; P314-D346 WeakPolarHBondContact CG-OD2 3.39Å
315S97.6Very high96.9Very high63 Ų6333.9 Ų33.944%0.44119%0.189SC..Hα-helixtrans-66.7-39.6-180-52.60000112.5G312 L313 E318 R319G312-S315 PolarHBondContact O-N 3.39Å; L313-S315 PolarHBondContact O-N 3Å; S315-E318 PolarHBondContact O-N 2.93Å; S315-R319 WeakPolarHBondContact O-CB 3.41Å; S315-R319 PolarHBondContact O-N 2.84Å
316R97.9Very high97Very high17 Ų1735.3 Ų35.36%0.06420%0.195CC..Hα-helixtrans-63.8-46.8174.6173.459.9-178.1-78-6.6111.3V223 G224 E263 F266 G312 L313 E318 R319 E320V223-R316 HydrophobicContact CG1-CB 3.58Å; V223-R316 HydrophobicContact CG1-CG 3.64Å; G224-R316 PolarHBondContact O-NH1 2.99Å; E263-R316 IonicContact OE1-CZ 3.25Å; E263-R316 IonicContact OE1-NH1 3.13Å; E263-R316 PolarHBondContact OE1-NH1 2.89Å; E263-R316 IonicContact OE1-NH2 3.4Å; E263-R316 PolarHBondContact OE1-NH2 2.85Å; E263-R316 IonicContact OE2-CZ 2.78Å; E263-R316 IonicContact OE2-NH1 3.76Å; E263-R316 PolarHBondContact OE2-NH1 3.08Å; E263-R316 IonicContact OE2-NH2 3.65Å; F266-R316 HydrophobicContact CD1-CG 4.22Å; F266-R316 HydrophobicContact CE1-CG 3.6Å; F266-R316 HydrophobicContact CE2-CG 4.01Å; F266-R316 HydrophobicContact CZ-CB 4.18Å; F266-R316 HydrophobicContact CZ-CG 3.48Å; F266-R316 VanDerWaalsContact CZ-CG 3.48Å; G312-R316 WeakPolarHBondContact O-CB 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å; L313-R316 PolarHBondContact O-N 3.39Å; R316-E318 VanDerWaalsContact C-N 3.33Å; R316-E318 PolarHBondContact O-N 3.47Å; R316-R319 PolarHBondContact O-N 3.39Å; R316-E320 IonicContact CZ-OE2 2.66Å; R316-E320 IonicContact NE-OE2 3.84Å; R316-E320 PolarHBondContact NE-OE2 3.29Å; R316-E320 IonicContact NH2-OE2 2.98Å; R316-E320 PolarHBondContact NH2-OE2 3.17Å; R316-E320 VanDerWaalsContact NH2-OE2 3.12Å; R316-E320 WeakPolarHBondContact O-CB 3.31Å; R316-E320 PolarHBondContact O-N 2.88Å
317L97.8Very high97Very high1 Ų139.7 Ų39.71%0.00521%0.206CC..Hα-helixtrans-58.5-44.2175-80.8172.4000111.9F266 V278 A279 L303 L313 P314 E320 L321 I344F266-L317 HydrophobicContact CE1-CD2 3.88Å; F266-L317 HydrophobicContact CE1-CG 4.19Å; F266-L317 HydrophobicContact CZ-CD2 4.31Å; F266-L317 HydrophobicContact CZ-CG 4.22Å; V278-L317 HydrophobicContact CG1-CD2 4.04Å; A279-L317 HydrophobicContact CB-CD2 3.93Å; L303-L317 HydrophobicContact CD1-CD1 4.42Å; L303-L317 HydrophobicContact CD2-CD1 3.79Å; L313-L317 HydrophobicContact CD2-CD1 3.75Å; L313-L317 HydrophobicContact CG-CD1 4.3Å; L313-L317 PolarHBondContact O-N 2.66Å; P314-L317 PolarHBondContact O-N 2.98Å; L317-E320 PolarHBondContact O-N 2.97Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 VanDerWaalsContact O-CG 3.29Å; L317-L321 WeakPolarHBondContact O-CG 3.47Å; L317-L321 PolarHBondContact O-N 3.49Å; L317-I344 HydrophobicContact CB-CD1 3.55Å
318E97Very high96.9Very high67 Ų6745.2 Ų45.231%0.31323%0.226SC..Hα-helixtrans-62.3-45.2179.4-169.9-173.9163.100111.6P314 S315 R316 K322 I342 I344P314-E318 PolarHBondContact O-N 2.78Å; S315-E318 PolarHBondContact O-N 2.93Å; R316-E318 VanDerWaalsContact C-N 3.33Å; R316-E318 PolarHBondContact O-N 3.47Å; E318-K322 HydrophobicContact CG-CD 4.47Å; E318-K322 WeakPolarHBondContact O-CG 3.34Å; E318-K322 PolarHBondContact O-N 3.07Å; E318-K322 VanDerWaalsContact O-N 3.08Å; E318-K322 VanDerWaalsContact OE1-CE 3.29Å; E318-K322 WeakPolarHBondContact OE1-CE 3.45Å; E318-K322 IonicContact OE1-NZ 2.72Å; E318-K322 PolarHBondContact OE1-NZ 3.07Å; E318-I342 HydrophobicContact CG-CD1 4.34Å; E318-I342 HydrophobicContact CG-CG2 4.09Å; E318-I344 HydrophobicContact CB-CD1 3.93Å
319R96.6Very high96.7Very high49 Ų4947.7 Ų47.719%0.18524%0.241CC..Hα-helixtrans-59.5-50.3175.8168.9-177.9146.6165.8-3.8111.5Y225 N226 S315 R316 K322 Q323Y225-R319 HydrophobicContact CD2-CB 4.44Å; Y225-R319 HydrophobicContact CE2-CB 3.58Å; Y225-R319 HydrophobicContact CE2-CG 4.15Å; Y225-R319 PolarHBondContact O-NE 3.37Å; Y225-R319 PolarHBondContact O-NH1 3.32Å; N226-R319 PolarHBondContact OD1-NH2 3.31Å; S315-R319 WeakPolarHBondContact O-CB 3.41Å; S315-R319 PolarHBondContact O-N 2.84Å; R316-R319 PolarHBondContact O-N 3.39Å; R319-K322 PolarHBondContact O-N 3.13Å; R319-Q323 HydrophobicContact CG-CG 4.49Å; R319-Q323 WeakPolarHBondContact O-CG 3.47Å; R319-Q323 PolarHBondContact O-N 3.08Å
320E97.1Very high96.5Very high31 Ų3145.6 Ų45.615%0.14523%0.231CC..Hα-helixtrans-68.7-37.6-173-160.5163.3152.900111.5F266 A279 R316 L317 Q323 L324F266-E320 WeakPolarHBondContact CD1-OE2 3.22Å; A279-E320 HydrophobicContact CB-CB 3.8Å; A279-E320 VanDerWaalsContact CB-CD 3.45Å; A279-E320 HydrophobicContact CB-CG 3.62Å; A279-E320 WeakPolarHBondContact CB-OE1 3.4Å; R316-E320 IonicContact CZ-OE2 2.66Å; R316-E320 IonicContact NE-OE2 3.84Å; R316-E320 PolarHBondContact NE-OE2 3.29Å; R316-E320 IonicContact NH2-OE2 2.98Å; R316-E320 PolarHBondContact NH2-OE2 3.17Å; R316-E320 VanDerWaalsContact NH2-OE2 3.12Å; R316-E320 WeakPolarHBondContact O-CB 3.31Å; R316-E320 PolarHBondContact O-N 2.88Å; L317-E320 PolarHBondContact O-N 2.97Å; E320-Q323 PolarHBondContact O-N 3.41Å; E320-L324 WeakPolarHBondContact O-CB 3.4Å; E320-L324 VanDerWaalsContact O-CG 3.3Å; E320-L324 WeakPolarHBondContact O-CG 3.4Å; E320-L324 PolarHBondContact O-N 3.46Å
321L97.3Very high96.3Very high0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-63.9-40171.5-72.9176.5000112.7A279 L282 F283 I301 L317 Y325 I342 I344A279-L321 WeakPolarHBondContact O-CD2 3.29Å; L282-L321 HydrophobicContact CB-CD2 4.4Å; L282-L321 HydrophobicContact CD2-CD1 3.77Å; L282-L321 HydrophobicContact CD2-CD2 4.4Å; L282-L321 HydrophobicContact CG-CD1 4.33Å; L282-L321 HydrophobicContact CG-CD2 4.26Å; F283-L321 HydrophobicContact CB-CD2 3.77Å; I301-L321 HydrophobicContact CD1-CD1 3.67Å; L317-L321 WeakPolarHBondContact O-CB 3.38Å; L317-L321 VanDerWaalsContact O-CG 3.29Å; L317-L321 WeakPolarHBondContact O-CG 3.47Å; L317-L321 PolarHBondContact O-N 3.49Å; L321-Y325 VanDerWaalsContact O-CB 3.26Å; L321-Y325 WeakPolarHBondContact O-CB 3.35Å; L321-Y325 PolarHBondContact O-N 3.49Å; L321-I342 HydrophobicContact CB-CD1 3.56Å; L321-I342 HydrophobicContact CD1-CD1 3.5Å; L321-I342 VanDerWaalsContact CD1-CD1 3.5Å; L321-I342 HydrophobicContact CG-CD1 4.2Å; L321-I344 HydrophobicContact CD1-CD1 4.2Å
322K96.1Very high96Very high73 Ų7352 Ų5232%0.31726%0.264SS..Hα-helixtrans-63.9-40.4174.2-75.7175.8-175.6170.70111.8E318 R319 Y325 L326 F340 I342E318-K322 HydrophobicContact CG-CD 4.47Å; E318-K322 WeakPolarHBondContact O-CG 3.34Å; E318-K322 PolarHBondContact O-N 3.07Å; E318-K322 VanDerWaalsContact O-N 3.08Å; E318-K322 VanDerWaalsContact OE1-CE 3.29Å; E318-K322 WeakPolarHBondContact OE1-CE 3.45Å; E318-K322 IonicContact OE1-NZ 2.72Å; E318-K322 PolarHBondContact OE1-NZ 3.07Å; R319-K322 PolarHBondContact O-N 3.13Å; K322-Y325 PolarHBondContact O-N 2.9Å; K322-L326 VanDerWaalsContact O-CB 3.3Å; K322-L326 WeakPolarHBondContact O-CB 3.49Å; K322-L326 PolarHBondContact O-N 3.05Å; K322-F340 HydrophobicContact CG-CD1 4.22Å; K322-F340 HydrophobicContact CG-CE1 4.17Å; K322-I342 HydrophobicContact CD-CG2 4.45Å; K322-I342 VanDerWaalsContact CE-CG2 3.43Å; K322-I342 HydrophobicContact CG-CG2 4.18Å
323Q95.8Very high95.8Very high78 Ų7853 Ų5336%0.36426%0.262SS..Hα-helixtrans-62.8-51.2176.1-73.2176-37.500111R319 E320 Y325 L326 E327R319-Q323 HydrophobicContact CG-CG 4.49Å; R319-Q323 WeakPolarHBondContact O-CG 3.47Å; R319-Q323 PolarHBondContact O-N 3.08Å; E320-Q323 PolarHBondContact O-N 3.41Å; Q323-Y325 VanDerWaalsContact C-N 3.31Å; Q323-Y325 PolarHBondContact O-N 3.49Å; Q323-L326 PolarHBondContact O-N 3.47Å; Q323-E327 WeakPolarHBondContact O-CB 3.27Å; Q323-E327 WeakPolarHBondContact O-CG 3.42Å; Q323-E327 PolarHBondContact O-N 3.27Å
324L96.6Very high95.5Very high14 Ų1457.1 Ų57.17%0.07329%0.288CS..Hα-helixtrans-59.1-41.6177.1-70.4169.7000112.2E280 F283 E320 R328E280-L324 HydrophobicContact CB-CD1 4.11Å; F283-L324 HydrophobicContact CB-CB 4.49Å; F283-L324 HydrophobicContact CB-CD1 3.76Å; F283-L324 HydrophobicContact CD1-CB 4.36Å; F283-L324 HydrophobicContact CD2-CB 3.84Å; F283-L324 HydrophobicContact CE2-CB 4.13Å; F283-L324 HydrophobicContact CG-CB 3.97Å; F283-L324 HydrophobicContact CG-CD1 4.09Å; E320-L324 WeakPolarHBondContact O-CB 3.4Å; E320-L324 VanDerWaalsContact O-CG 3.3Å; E320-L324 WeakPolarHBondContact O-CG 3.4Å; E320-L324 PolarHBondContact O-N 3.46Å; L324-R328 VanDerWaalsContact O-CB 3.29Å; L324-R328 WeakPolarHBondContact O-CB 3.39Å; L324-R328 PolarHBondContact O-N 3.07Å
325Y95.7Very high95.1Very high48 Ų4863 Ų6319%0.18832%0.318CS..Hα-helixtrans-66.2-43177.2-166.3-90.2000111.9F283 Y298 L321 K322 Q323 V329 L330 L337 F340F283-Y325 HydrophobicContact CE2-CD2 4.27Å; Y298-Y325 HydrophobicContact CE2-CD2 4.34Å; Y298-Y325 HydrophobicContact CE2-CE2 4.23Å; L321-Y325 VanDerWaalsContact O-CB 3.26Å; L321-Y325 WeakPolarHBondContact O-CB 3.35Å; L321-Y325 PolarHBondContact O-N 3.49Å; K322-Y325 PolarHBondContact O-N 2.9Å; Q323-Y325 VanDerWaalsContact C-N 3.31Å; Q323-Y325 PolarHBondContact O-N 3.49Å; Y325-V329 HydrophobicContact CD1-CB 4.37Å; Y325-V329 HydrophobicContact CD2-CB 4.04Å; Y325-V329 HydrophobicContact CD2-CG1 4.41Å; Y325-V329 HydrophobicContact CD2-CG2 3.74Å; Y325-V329 HydrophobicContact CE1-CB 4.34Å; Y325-V329 HydrophobicContact CE1-CG1 4.28Å; Y325-V329 HydrophobicContact CE2-CB 4.01Å; Y325-V329 HydrophobicContact CE2-CG1 3.87Å; Y325-V329 HydrophobicContact CE2-CG2 3.94Å; Y325-V329 HydrophobicContact CG-CB 4.22Å; Y325-V329 HydrophobicContact CG-CG2 4.23Å; Y325-V329 WeakPolarHBondContact O-CA 3.13Å; Y325-V329 VanDerWaalsContact O-CB 3.26Å; Y325-V329 WeakPolarHBondContact O-CB 3.38Å; Y325-V329 PolarHBondContact O-N 3.27Å; Y325-L330 HydrophobicContact CD1-CD1 3.77Å; Y325-L330 HydrophobicContact CD1-CD2 4.44Å; Y325-L330 HydrophobicContact CD1-CG 3.75Å; Y325-L330 HydrophobicContact CE1-CD1 3.77Å; Y325-L330 HydrophobicContact CE1-CD2 3.78Å; Y325-L330 HydrophobicContact CE1-CG 3.59Å; Y325-L330 PolarHBondContact O-N 3.3Å; Y325-L337 HydrophobicContact CD1-CD1 4.43Å; Y325-F340 HydrophobicContact CD1-CB 4.11Å; Y325-F340 HydrophobicContact CD1-CD1 4.02Å; Y325-F340 AromaticContact CD1-CD2 3.88Å; Y325-F340 HydrophobicContact CD1-CD2 3.88Å; Y325-F340 HydrophobicContact CD1-CE1 4.41Å; Y325-F340 HydrophobicContact CD1-CE2 4.3Å; Y325-F340 AromaticContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CG 3.73Å; Y325-F340 AromaticContact CD2-CD2 3.94Å; Y325-F340 HydrophobicContact CD2-CD2 3.94Å; Y325-F340 HydrophobicContact CD2-CE1 4.42Å; Y325-F340 AromaticContact CD2-CE2 3.59Å; Y325-F340 HydrophobicContact CD2-CE2 3.59Å; Y325-F340 HydrophobicContact CD2-CG 4.5Å; Y325-F340 AromaticContact CD2-CZ 3.86Å; Y325-F340 HydrophobicContact CD2-CZ 3.86Å; Y325-F340 HydrophobicContact CE1-CB 3.94Å; Y325-F340 AromaticContact CE1-CD2 3.7Å; Y325-F340 HydrophobicContact CE1-CD2 3.7Å; Y325-F340 HydrophobicContact CE1-CE2 4.35Å; Y325-F340 AromaticContact CE1-CG 3.82Å; Y325-F340 HydrophobicContact CE1-CG 3.82Å; Y325-F340 AromaticContact CE2-CD2 3.76Å; Y325-F340 HydrophobicContact CE2-CD2 3.76Å; Y325-F340 AromaticContact CE2-CE2 3.67Å; Y325-F340 HydrophobicContact CE2-CE2 3.67Å; Y325-F340 HydrophobicContact CE2-CZ 4.39Å; Y325-F340 HydrophobicContact CG-CD1 4.11Å; Y325-F340 HydrophobicContact CG-CD2 4Å; Y325-F340 HydrophobicContact CG-CE1 4.04Å; Y325-F340 AromaticContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CG 4.1Å; Y325-F340 AromaticContact CG-CZ 3.95Å; Y325-F340 HydrophobicContact CG-CZ 3.95Å; Y325-F340 AromaticContact CZ-CD2 3.64Å
326L95.9Very high94.7Very high37 Ų3765.1 Ų65.119%0.19432%0.319CS..Hα-helixtrans-60.7-48.6176.8179.761.9000111.6K322 Q323 L330 K331 G332 D333 V334 L337K322-L326 VanDerWaalsContact O-CB 3.3Å; K322-L326 WeakPolarHBondContact O-CB 3.49Å; K322-L326 PolarHBondContact O-N 3.05Å; Q323-L326 PolarHBondContact O-N 3.47Å; L326-L330 HydrophobicContact CD1-CB 4.31Å; L326-L330 HydrophobicContact CD1-CD1 4.37Å; L326-L330 CarbonylContact O-C 3.58Å; L326-K331 PolarHBondContact O-N 3.04Å; L326-G332 PolarHBondContact O-N 2.87Å; L326-D333 WeakPolarHBondContact CD1-O 3.43Å; L326-V334 HydrophobicContact CD1-CG2 4.29Å; L326-V334 HydrophobicContact CD2-CG2 4.45Å; L326-L337 HydrophobicContact CB-CD1 4.14Å
327E95.3Very high94.3Very high125 Ų12566.2 Ų66.258%0.58433%0.326SS*.Hα-helixtrans-72.4-48.9-175.3-70171.7-169.100112.1Q323Q323-E327 WeakPolarHBondContact O-CB 3.27Å; Q323-E327 WeakPolarHBondContact O-CG 3.42Å; Q323-E327 PolarHBondContact O-N 3.27Å
328R94.7Very high93.9Very high122 Ų12270.4 Ų70.446%0.4636%0.356SS..Hα-helixtrans-93.5-29.2-168.8-57.8-174.9-179.6-175.62.4113.9E280 F283 L324E280-R328 IonicContact OE1-CZ 3.25Å; E280-R328 IonicContact OE1-NH1 3.31Å; E280-R328 PolarHBondContact OE1-NH1 3.01Å; E280-R328 IonicContact OE1-NH2 2.71Å; E280-R328 PolarHBondContact OE1-NH2 2.95Å; F283-R328 HydrophobicContact CE1-CB 4.32Å; F283-R328 HydrophobicContact CZ-CB 4.12Å; L324-R328 VanDerWaalsContact O-CB 3.29Å; L324-R328 WeakPolarHBondContact O-CB 3.39Å; L324-R328 PolarHBondContact O-N 3.07Å
329V93.7Very high93.5Very high55 Ų5575.1 Ų75.133%0.33338%0.375SS..THydrogen-bonded Turntrans-101.9-50.8-178.1-172.70000111.1F283 Y325F283-V329 HydrophobicContact CE2-CG2 4.01Å; F283-V329 HydrophobicContact CZ-CG2 3.72Å; Y325-V329 HydrophobicContact CD1-CB 4.37Å; Y325-V329 HydrophobicContact CD2-CB 4.04Å; Y325-V329 HydrophobicContact CD2-CG1 4.41Å; Y325-V329 HydrophobicContact CD2-CG2 3.74Å; Y325-V329 HydrophobicContact CE1-CB 4.34Å; Y325-V329 HydrophobicContact CE1-CG1 4.28Å; Y325-V329 HydrophobicContact CE2-CB 4.01Å; Y325-V329 HydrophobicContact CE2-CG1 3.87Å; Y325-V329 HydrophobicContact CE2-CG2 3.94Å; Y325-V329 HydrophobicContact CG-CB 4.22Å; Y325-V329 HydrophobicContact CG-CG2 4.23Å; Y325-V329 WeakPolarHBondContact O-CA 3.13Å; Y325-V329 VanDerWaalsContact O-CB 3.26Å; Y325-V329 WeakPolarHBondContact O-CB 3.38Å; Y325-V329 PolarHBondContact O-N 3.27Å
330L93.6Very high93.3Very high28 Ų2873.9 Ų73.915%0.14737%0.371CS..SBendtrans-86-7.9-177.5-59.1-179.7000113.6Y325 L326 G332 D333 K336 L337Y325-L330 HydrophobicContact CD1-CD1 3.77Å; Y325-L330 HydrophobicContact CD1-CD2 4.44Å; Y325-L330 HydrophobicContact CD1-CG 3.75Å; Y325-L330 HydrophobicContact CE1-CD1 3.77Å; Y325-L330 HydrophobicContact CE1-CD2 3.78Å; Y325-L330 HydrophobicContact CE1-CG 3.59Å; Y325-L330 PolarHBondContact O-N 3.3Å; L326-L330 HydrophobicContact CD1-CB 4.31Å; L326-L330 HydrophobicContact CD1-CD1 4.37Å; L326-L330 CarbonylContact O-C 3.58Å; L330-G332 PolarHBondContact O-N 3.1Å; L330-D333 HydrophobicContact CB-CB 4.42Å; L330-D333 WeakPolarHBondContact O-CB 3.35Å; L330-D333 PolarHBondContact O-N 3.13Å; L330-D333 VanDerWaalsContact O-N 3.15Å; L330-K336 HydrophobicContact CD1-CB 4.07Å; L330-K336 HydrophobicContact CD2-CB 3.89Å; L330-K336 HydrophobicContact CD2-CD 4.4Å; L330-L337 HydrophobicContact CD1-CB 4.1Å; L330-L337 HydrophobicContact CD1-CD1 3.96Å
331K93.4Very high93.1Very high186 Ų18679 Ų7981%0.80939%0.393SS*.THydrogen-bonded Turntrans53.638.2179.5-55.5-176.9179.1-177.30112.9L326L326-K331 PolarHBondContact O-N 3.04Å
332G92.2Very high93.1Very high47 Ų4780.1 Ų80.149%0.48540%0.399SS..THydrogen-bonded Turntrans88.61.5178.800000116L326 L330 V334L326-G332 PolarHBondContact O-N 2.87Å; L330-G332 PolarHBondContact O-N 3.1Å; G332-V334 PolarHBondContact O-N 3.47Å; G332-V334 VanDerWaalsContact O-N 3.1Å
333D91.9Very high93.1Very high50 Ų5083.5 Ų83.527%0.26741%0.409SS..  trans-75.297.5177.5-173-23.2000111.4L326 L330 D335 K336L326-D333 WeakPolarHBondContact CD1-O 3.43Å; L330-D333 HydrophobicContact CB-CB 4.42Å; L330-D333 WeakPolarHBondContact O-CB 3.35Å; L330-D333 PolarHBondContact O-N 3.13Å; L330-D333 VanDerWaalsContact O-N 3.15Å; D333-D335 VanDerWaalsContact C-N 3.35Å; D333-D335 PolarHBondContact OD1-N 2.8Å; D333-K336 HydrophobicContact CB-CD 4.5Å; D333-K336 PolarHBondContact OD1-N 3.31Å; D333-K336 VanDerWaalsContact OD2-CD 3.29Å; D333-K336 WeakPolarHBondContact OD2-CD 3.35Å; D333-K336 WeakPolarHBondContact OD2-CE 3.48Å; D333-K336 IonicContact OD2-NZ 2.84Å; D333-K336 PolarHBondContact OD2-NZ 3.49Å
334V91.4Very high93.2Very high93 Ų9380.8 Ų80.856%0.56440%0.397SS*.Hα-helixtrans-70.2-30.2-176.4-172.10000112.2L326 G332 K336 L337L326-V334 HydrophobicContact CD1-CG2 4.29Å; L326-V334 HydrophobicContact CD2-CG2 4.45Å; G332-V334 PolarHBondContact O-N 3.47Å; G332-V334 VanDerWaalsContact O-N 3.1Å; V334-K336 VanDerWaalsContact C-N 3.27Å; V334-K336 PolarHBondContact O-N 3.04Å; V334-L337 WeakPolarHBondContact O-CB 3.4Å; V334-L337 PolarHBondContact O-N 3.2Å
335D89.8Confident93.1Very high138 Ų13880.9 Ų80.974%0.73840%0.397SS*.Hα-helixtrans-64.8-37-177.5-66.7-28.4000111D333 L337 S338D333-D335 VanDerWaalsContact C-N 3.35Å; D333-D335 PolarHBondContact OD1-N 2.8Å; D335-L337 VanDerWaalsContact C-N 3.3Å; D335-L337 PolarHBondContact O-N 3.36Å; D335-S338 PolarHBondContact O-OG 2.92Å
336K89.7Confident93Very high108 Ų10882 Ų8247%0.4741%0.406SS..Hα-helixtrans-73.7-18.4175.9-69.7-179.6-172.5133.80113.7L330 D333 V334 S338 K339L330-K336 HydrophobicContact CD1-CB 4.07Å; L330-K336 HydrophobicContact CD2-CB 3.89Å; L330-K336 HydrophobicContact CD2-CD 4.4Å; D333-K336 HydrophobicContact CB-CD 4.5Å; D333-K336 PolarHBondContact OD1-N 3.31Å; D333-K336 VanDerWaalsContact OD2-CD 3.29Å; D333-K336 WeakPolarHBondContact OD2-CD 3.35Å; D333-K336 WeakPolarHBondContact OD2-CE 3.48Å; D333-K336 IonicContact OD2-NZ 2.84Å; D333-K336 PolarHBondContact OD2-NZ 3.49Å; V334-K336 VanDerWaalsContact C-N 3.27Å; V334-K336 PolarHBondContact O-N 3.04Å; K336-S338 PolarHBondContact O-N 3.14Å; K336-K339 WeakPolarHBondContact O-CB 3.43Å; K336-K339 PolarHBondContact O-N 3.48Å
337L89.9Confident93Very high41 Ų4181.5 Ų81.522%0.21541%0.405CS..Hα-helixtrans-62.4-30.5178.4-166.869.4000111.6Y325 L326 L330 V334 D335 K339 F340Y325-L337 HydrophobicContact CD1-CD1 4.43Å; L326-L337 HydrophobicContact CB-CD1 4.14Å; L330-L337 HydrophobicContact CD1-CB 4.1Å; L330-L337 HydrophobicContact CD1-CD1 3.96Å; V334-L337 WeakPolarHBondContact O-CB 3.4Å; V334-L337 PolarHBondContact O-N 3.2Å; D335-L337 VanDerWaalsContact C-N 3.3Å; D335-L337 PolarHBondContact O-N 3.36Å; L337-K339 PolarHBondContact O-N 3.08Å; L337-F340 HydrophobicContact CD1-CB 4.48Å; L337-F340 HydrophobicContact CD1-CD1 4.39Å; L337-F340 WeakPolarHBondContact O-CB 3.37Å; L337-F340 PolarHBondContact O-N 2.61Å
338S87.8Confident92.8Very high88 Ų8881 Ų8162%0.61541%0.413SS*.THydrogen-bonded Turntrans-58.5-27.4174.766.60000113.9D335 K336D335-S338 PolarHBondContact O-OG 2.92Å; K336-S338 PolarHBondContact O-N 3.14Å
339K89.2Confident92.6Very high166 Ų16680.9 Ų80.972%0.72241%0.412SS*.THydrogen-bonded Turntrans-83.4-18.5177.8-62.1-179.9175.6176.70112.5K336 L337 K341K336-K339 WeakPolarHBondContact O-CB 3.43Å; K336-K339 PolarHBondContact O-N 3.48Å; L337-K339 PolarHBondContact O-N 3.08Å; K339-K341 PolarHBondContact O-N 3.17Å
340F92Very high92.6Very high24 Ų2479.3 Ų79.311%0.10540%0.4CS..  trans-71.6111.2178.1179.8-126.2000109.8Y298 K322 Y325 L337 I342Y298-F340 AromaticContact CD1-CE2 3.89Å; Y298-F340 HydrophobicContact CD1-CE2 3.89Å; Y298-F340 AromaticContact CD1-CZ 3.62Å; Y298-F340 HydrophobicContact CD1-CZ 3.62Å; Y298-F340 AromaticContact CD2-CE2 3.73Å; Y298-F340 HydrophobicContact CD2-CE2 3.73Å; Y298-F340 HydrophobicContact CD2-CZ 4.3Å; Y298-F340 HydrophobicContact CE1-CE2 4.2Å; Y298-F340 AromaticContact CE1-CZ 3.82Å; Y298-F340 HydrophobicContact CE1-CZ 3.82Å; Y298-F340 HydrophobicContact CE2-CE2 4.03Å; Y298-F340 HydrophobicContact CE2-CZ 4.45Å; Y298-F340 AromaticContact CG-CE2 3.65Å; Y298-F340 HydrophobicContact CG-CE2 3.65Å; Y298-F340 AromaticContact CG-CZ 3.89Å; Y298-F340 HydrophobicContact CG-CZ 3.89Å; K322-F340 HydrophobicContact CG-CD1 4.22Å; K322-F340 HydrophobicContact CG-CE1 4.17Å; Y325-F340 HydrophobicContact CD1-CB 4.11Å; Y325-F340 HydrophobicContact CD1-CD1 4.02Å; Y325-F340 AromaticContact CD1-CD2 3.88Å; Y325-F340 HydrophobicContact CD1-CD2 3.88Å; Y325-F340 HydrophobicContact CD1-CE1 4.41Å; Y325-F340 HydrophobicContact CD1-CE2 4.3Å; Y325-F340 AromaticContact CD1-CG 3.73Å; Y325-F340 HydrophobicContact CD1-CG 3.73Å; Y325-F340 AromaticContact CD2-CD2 3.94Å; Y325-F340 HydrophobicContact CD2-CD2 3.94Å; Y325-F340 HydrophobicContact CD2-CE1 4.42Å; Y325-F340 AromaticContact CD2-CE2 3.59Å; Y325-F340 HydrophobicContact CD2-CE2 3.59Å; Y325-F340 HydrophobicContact CD2-CG 4.5Å; Y325-F340 AromaticContact CD2-CZ 3.86Å; Y325-F340 HydrophobicContact CD2-CZ 3.86Å; Y325-F340 HydrophobicContact CE1-CB 3.94Å; Y325-F340 AromaticContact CE1-CD2 3.7Å; Y325-F340 HydrophobicContact CE1-CD2 3.7Å; Y325-F340 HydrophobicContact CE1-CE2 4.35Å; Y325-F340 AromaticContact CE1-CG 3.82Å; Y325-F340 HydrophobicContact CE1-CG 3.82Å; Y325-F340 AromaticContact CE2-CD2 3.76Å; Y325-F340 HydrophobicContact CE2-CD2 3.76Å; Y325-F340 AromaticContact CE2-CE2 3.67Å; Y325-F340 HydrophobicContact CE2-CE2 3.67Å; Y325-F340 HydrophobicContact CE2-CZ 4.39Å; Y325-F340 HydrophobicContact CG-CD1 4.11Å; Y325-F340 HydrophobicContact CG-CD2 4Å; Y325-F340 HydrophobicContact CG-CE1 4.04Å; Y325-F340 AromaticContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CG 4.1Å; Y325-F340 AromaticContact CG-CZ 3.95Å; Y325-F340 HydrophobicContact CG-CZ 3.95Å; Y325-F340 AromaticContact CZ-CD2 3.64Å; L337-F340 HydrophobicContact CD1-CB 4.48Å; L337-F340 HydrophobicContact CD1-CD1 4.39Å; L337-F340 WeakPolarHBondContact O-CB 3.37Å; L337-F340 PolarHBondContact O-N 2.61Å; F340-I342 HydrophobicContact CD1-CB 4.44Å; F340-I342 HydrophobicContact CD1-CG2 4.31Å; F340-I342 HydrophobicContact CE1-CB 3.84Å; F340-I342 HydrophobicContact CE1-CD1 4.28Å; F340-I342 HydrophobicContact CE1-CG2 4.01Å; F340-I342 HydrophobicContact CZ-CB 4.01Å; F340-I342 HydrophobicContact CZ-CD1 4.42Å
341K93.9Very high92.6Very high137 Ų13782.5 Ų82.560%0.59641%0.413SS*.  trans-95.8114.7175.4-60.4-55.4-177-169.60108.6K299 K339K299-K341 HydrophobicContact CG-CB 4.38Å; K339-K341 PolarHBondContact O-N 3.17Å
342I95.7Very high92.6Very high24 Ų2475 Ų7512%0.12338%0.381CS..  trans-121.6136.7173.5179.5169.2000108Y298 I301 E318 L321 K322 F340 I344Y298-I342 WeakPolarHBondContact O-CA 3.36Å; I301-I342 HydrophobicContact CD1-CD1 4.41Å; I301-I342 HydrophobicContact CD1-CG1 4.35Å; E318-I342 HydrophobicContact CG-CD1 4.34Å; E318-I342 HydrophobicContact CG-CG2 4.09Å; L321-I342 HydrophobicContact CB-CD1 3.56Å; L321-I342 HydrophobicContact CD1-CD1 3.5Å; L321-I342 VanDerWaalsContact CD1-CD1 3.5Å; L321-I342 HydrophobicContact CG-CD1 4.2Å; K322-I342 HydrophobicContact CD-CG2 4.45Å; K322-I342 VanDerWaalsContact CE-CG2 3.43Å; K322-I342 HydrophobicContact CG-CG2 4.18Å; F340-I342 HydrophobicContact CD1-CB 4.44Å; F340-I342 HydrophobicContact CD1-CG2 4.31Å; F340-I342 HydrophobicContact CE1-CB 3.84Å; F340-I342 HydrophobicContact CE1-CD1 4.28Å; F340-I342 HydrophobicContact CE1-CG2 4.01Å; F340-I342 HydrophobicContact CZ-CB 4.01Å; F340-I342 HydrophobicContact CZ-CD1 4.42Å; I342-I344 HydrophobicContact CD1-CD1 4.43Å; I342-I344 HydrophobicContact CD1-CG1 4.42Å; I342-I344 HydrophobicContact CG1-CG1 4.33Å
343R96.8Very high92.6Very high145 Ų14573 Ų7355%0.54736%0.359SS..  trans-140.2119.2172.5173.9-175-170.6-167.4-2.9108.4Y298 K299 I301 E345Y298-R343 PolarHBondContact O-N 2.83Å; K299-R343 VanDerWaalsContact O-CB 3.31Å; K299-R343 WeakPolarHBondContact O-CB 3.47Å; I301-R343 PolarHBondContact N-O 2.79Å; R343-E345 HydrophobicContact CG-CG 4.05Å; R343-E345 IonicContact CZ-OE1 3.71Å; R343-E345 VanDerWaalsContact CZ-OE1 3.25Å; R343-E345 IonicContact NE-OE1 2.9Å; R343-E345 PolarHBondContact NE-OE1 3.5Å; R343-E345 IonicContact NH1-OE1 3.12Å; R343-E345 PolarHBondContact NH1-OE1 3.31Å; R343-E345 IonicContact NH2-OE1 3.45Å
344I97.1Very high92.8Very high21 Ų2170.9 Ų70.911%0.10835%0.348CS..EExtended strand (participates in β ladder)trans-104.9116.3172.1-57.1-178000106.2I301 L303 P314 L317 E318 L321 I342I301-I344 HydrophobicContact CB-CG1 4.2Å; I301-I344 HydrophobicContact CD1-CG1 4.21Å; I301-I344 HydrophobicContact CG2-CG1 4.28Å; I301-I344 HydrophobicContact CG2-CG2 4.38Å; I301-I344 CarbonylContact O-C 3.49Å; I301-I344 WeakPolarHBondContact O-CA 3.5Å; L303-I344 HydrophobicContact CD1-CG2 3.82Å; L303-I344 HydrophobicContact CD2-CG2 3.99Å; L303-I344 HydrophobicContact CG-CG2 3.73Å; P314-I344 HydrophobicContact CB-CG2 4.46Å; L317-I344 HydrophobicContact CB-CD1 3.55Å; E318-I344 HydrophobicContact CB-CD1 3.93Å; L321-I344 HydrophobicContact CD1-CD1 4.2Å; I342-I344 HydrophobicContact CD1-CD1 4.43Å; I342-I344 HydrophobicContact CD1-CG1 4.42Å; I342-I344 HydrophobicContact CG1-CG1 4.33Å
345E95.5Very high93Very high15 Ų1566.4 Ų66.47%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-93.4120.3177.7-58.7-178.1-175.700109.1Q149 H300 I301 V302 L303 R343 P347Q149-E345 PolarHBondContact NE2-OE2 2.9Å; Q149-E345 PolarHBondContact OE1-OE2 2.87Å; H300-E345 IonicContact ND1-OE1 3.01Å; I301-E345 PolarHBondContact O-N 3.37Å; V302-E345 HydrophobicContact CG2-CB 4.32Å; L303-E345 PolarHBondContact N-O 3.38Å; R343-E345 HydrophobicContact CG-CG 4.05Å; R343-E345 IonicContact CZ-OE1 3.71Å; R343-E345 VanDerWaalsContact CZ-OE1 3.25Å; R343-E345 IonicContact NE-OE1 2.9Å; R343-E345 PolarHBondContact NE-OE1 3.5Å; R343-E345 IonicContact NH1-OE1 3.12Å; R343-E345 PolarHBondContact NH1-OE1 3.31Å; R343-E345 IonicContact NH2-OE1 3.45Å; E345-P347 VanDerWaalsContact C-CD 3.4Å; E345-P347 WeakPolarHBondContact O-CD 3.44Å
346D94.5Very high93.2Very high71 Ų7161.1 Ų61.138%0.3829%0.292SS..  trans-120.566.1-17968.7-48.1000111.9L303 P314 R350L303-D346 HydrophobicContact CD1-CB 3.96Å; P314-D346 HydrophobicContact CB-CB 4.12Å; P314-D346 HydrophobicContact CG-CB 3.65Å; P314-D346 WeakPolarHBondContact CG-OD2 3.39Å; D346-R350 PolarHBondContact O-NH1 3Å; D346-R350 IonicContact OD2-NH1 3.45Å
347P94Very high93.4Very high27 Ų2756 Ų5618%0.17527%0.27CS..  trans-49.7142.5-178.4-26.233.1000112.4Q149 E345 R349 R350 M353Q149-P347 VanDerWaalsContact CD-CG 3.44Å; Q149-P347 HydrophobicContact CG-CG 4.32Å; E345-P347 VanDerWaalsContact C-CD 3.4Å; E345-P347 WeakPolarHBondContact O-CD 3.44Å; P347-R349 PolarHBondContact O-N 3.37Å; P347-R349 VanDerWaalsContact O-N 3.12Å; P347-R350 HydrophobicContact CB-CB 4.49Å; P347-R350 WeakPolarHBondContact O-CB 3.49Å; P347-R350 WeakPolarHBondContact O-CD 3.49Å; P347-R350 WeakPolarHBondContact O-CG 3.46Å; P347-R350 PolarHBondContact O-N 3.35Å; P347-R350 PolarHBondContact O-NH1 3Å; P347-M353 HydrophobicContact CG-CE 4.41Å
348P92.1Very high93.7Very high114 Ų11454 Ų5474%0.7426%0.26SS*.THydrogen-bonded Turntrans-62.7-25.2-178.923.9-33.6000112.5
349R90.6Very high94Very high120 Ų12049.8 Ų49.845%0.45323%0.231SC..THydrogen-bonded Turntrans-93.314.2178-58.8-174.1-176.2176.44.3113.7P347 K351 H352 L356P347-R349 PolarHBondContact O-N 3.37Å; P347-R349 VanDerWaalsContact O-N 3.12Å; R349-K351 PolarHBondContact O-N 3.05Å; R349-K351 VanDerWaalsContact O-N 3.08Å; R349-H352 PolarHBondContact O-N 3.33Å; R349-L356 HydrophobicContact CB-CD1 3.78Å
350R94.4Very high94.2Very high22 Ų2245.4 Ų45.48%0.08322%0.217CC..G310 helixtrans-59.7-22.6-173.765.2-172.9176.9-93.65115.3L303 G305 T308 M309 D346 P347 H352 M353L303-R350 VanDerWaalsContact O-CB 3.29Å; L303-R350 WeakPolarHBondContact O-CB 3.16Å; G305-R350 PolarHBondContact N-O 3.03Å; T308-R350 PolarHBondContact O-NE 3.26Å; T308-R350 PolarHBondContact O-NH2 3.46Å; M309-R350 HydrophobicContact SD-CG 3.38Å; M309-R350 WeakPolarHBondContact SD-CG 3.26Å; D346-R350 PolarHBondContact O-NH1 3Å; D346-R350 IonicContact OD2-NH1 3.45Å; P347-R350 HydrophobicContact CB-CB 4.49Å; P347-R350 WeakPolarHBondContact O-CB 3.49Å; P347-R350 WeakPolarHBondContact O-CD 3.49Å; P347-R350 WeakPolarHBondContact O-CG 3.46Å; P347-R350 PolarHBondContact O-N 3.35Å; P347-R350 PolarHBondContact O-NH1 3Å; R350-H352 PolarHBondContact O-N 3.24Å; R350-H352 VanDerWaalsContact O-N 3.14Å; R350-M353 HydrophobicContact CB-CE 4.36Å; R350-M353 PolarHBondContact O-N 3.49Å
351K93.1Very high94.3Very high95 Ų9545.3 Ų45.341%0.41322%0.218SC..G310 helixtrans-53.9-32.4175-171.6177.2179.8176.70113.4M309 R349M309-K351 HydrophobicContact CG-CB 4.1Å; M309-K351 HydrophobicContact CG-CG 4.49Å; M309-K351 HydrophobicContact SD-CB 4.03Å; R349-K351 PolarHBondContact O-N 3.05Å; R349-K351 VanDerWaalsContact O-N 3.08Å
352H92.3Very high94.3Very high28 Ų2838.8 Ų38.813%0.1319%0.189CC..G310 helixtrans-126.122.3-175.4-55.5-56.5000112.4P28 R349 R350 V354 F355 L356P28-H352 HydrophobicContact CG-CB 4.05Å; R349-H352 PolarHBondContact O-N 3.33Å; R350-H352 PolarHBondContact O-N 3.24Å; R350-H352 VanDerWaalsContact O-N 3.14Å; H352-V354 VanDerWaalsContact C-N 3.27Å; H352-V354 PolarHBondContact O-N 3.38Å; H352-F355 WeakPolarHBondContact O-CB 3.14Å; H352-F355 PolarHBondContact O-N 2.88Å; H352-L356 WeakPolarHBondContact O-CG 3.34Å; H352-L356 PolarHBondContact O-N 3.19Å
353M93.1Very high94.2Very high5 Ų540.4 Ų40.43%0.02520%0.198CC..Hα-helixtrans-62.5-35-169.9-150.9-145.3-55.400113.3T145 A148 Q149 V302 L303 P347 R350 F355 L356 G357T145-M353 VanDerWaalsContact C-SD 3.56Å; T145-M353 WeakPolarHBondContact CA-SD 3.41Å; T145-M353 WeakPolarHBondContact CB-SD 3.4Å; T145-M353 HydrophobicContact CG2-CB 4.22Å; T145-M353 HydrophobicContact CG2-CE 4.48Å; T145-M353 HydrophobicContact CG2-SD 4.04Å; A148-M353 HydrophobicContact CB-CG 3.93Å; A148-M353 HydrophobicContact CB-SD 4.12Å; Q149-M353 HydrophobicContact CG-SD 4.18Å; V302-M353 HydrophobicContact CG1-CE 3.34Å; V302-M353 HydrophobicContact CG1-SD 4.1Å; L303-M353 WeakPolarHBondContact O-CE 3.36Å; P347-M353 HydrophobicContact CG-CE 4.41Å; R350-M353 HydrophobicContact CB-CE 4.36Å; R350-M353 PolarHBondContact O-N 3.49Å; M353-F355 PolarHBondContact O-N 3.21Å; M353-L356 PolarHBondContact O-N 3.21Å; M353-G357 PolarHBondContact O-N 3.44Å
354V95Very high93.9Very high6 Ų639 Ų394%0.03620%0.201CC..Hα-helixtrans-53.6-51.5171.8172.40000111.1D12 T110 Q141 L144 T145 H352 G357 G358D12-V354 HydrophobicContact CB-CG1 4.23Å; T110-V354 HydrophobicContact CG2-CG1 3.83Å; Q141-V354 HydrophobicContact CB-CG1 4.06Å; Q141-V354 HydrophobicContact CB-CG2 3.97Å; Q141-V354 HydrophobicContact CG-CG1 3.68Å; Q141-V354 HydrophobicContact CG-CG2 4.3Å; L144-V354 HydrophobicContact CD1-CG1 4.41Å; T145-V354 HydrophobicContact CG2-CB 4.42Å; T145-V354 HydrophobicContact CG2-CG2 3.55Å; H352-V354 VanDerWaalsContact C-N 3.27Å; H352-V354 PolarHBondContact O-N 3.38Å; V354-G357 PolarHBondContact O-N 2.94Å; V354-G358 PolarHBondContact O-N 3.02Å
355F95.9Very high93.7Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-62.9-43.2177.9174.7-87.7000111.3V10 K19 P28 H352 M353 G357 G358 A359V10-F355 HydrophobicContact CB-CD2 4.29Å; V10-F355 HydrophobicContact CB-CE2 3.79Å; V10-F355 HydrophobicContact CB-CZ 4.41Å; V10-F355 HydrophobicContact CG1-CD2 3.77Å; V10-F355 HydrophobicContact CG1-CE2 3.8Å; K19-F355 HydrophobicContact CB-CB 4.46Å; K19-F355 HydrophobicContact CB-CD2 4.36Å; P28-F355 VanDerWaalsContact CA-CE1 3.44Å; P28-F355 HydrophobicContact CB-CD1 4.05Å; P28-F355 HydrophobicContact CB-CD2 4.34Å; P28-F355 HydrophobicContact CB-CE1 4.07Å; P28-F355 HydrophobicContact CB-CE2 4.35Å; P28-F355 HydrophobicContact CB-CG 4.2Å; P28-F355 HydrophobicContact CB-CZ 4.22Å; P28-F355 HydrophobicContact CG-CB 4.25Å; P28-F355 HydrophobicContact CG-CD1 3.57Å; P28-F355 HydrophobicContact CG-CD2 4.4Å; P28-F355 HydrophobicContact CG-CE1 4.04Å; P28-F355 HydrophobicContact CG-CG 3.79Å; H352-F355 WeakPolarHBondContact O-CB 3.14Å; H352-F355 PolarHBondContact O-N 2.88Å; M353-F355 PolarHBondContact O-N 3.21Å; F355-G357 PolarHBondContact O-N 2.86Å; F355-G358 CarbonylContact O-C 3.56Å; F355-G358 PolarHBondContact O-N 3.43Å; F355-A359 HydrophobicContact CE1-CB 4.16Å; F355-A359 HydrophobicContact CZ-CB 4.49Å; F355-A359 WeakPolarHBondContact O-CB 3.42Å; F355-A359 PolarHBondContact O-N 2.88Å
356L94.3Very high93.6Very high26 Ų2642.2 Ų42.214%0.13622%0.215CC..Hα-helixtrans-61.9-45.1179.4-63.8176.8000111.9N26 R349 H352 M353 G358 A359 V360N26-L356 VanDerWaalsContact C-CD2 3.43Å; N26-L356 WeakPolarHBondContact O-CD2 3.34Å; R349-L356 HydrophobicContact CB-CD1 3.78Å; H352-L356 WeakPolarHBondContact O-CG 3.34Å; H352-L356 PolarHBondContact O-N 3.19Å; M353-L356 PolarHBondContact O-N 3.21Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 2.84Å; L356-A359 PolarHBondContact O-N 3.43Å; L356-V360 WeakPolarHBondContact O-CG2 3.23Å; L356-V360 PolarHBondContact O-N 3.16Å
357G94.3Very high93.4Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-60.7-41.7174.100000112L144 M353 V354 F355 V360 L361L144-G357 WeakPolarHBondContact O-CA 3.34Å; M353-G357 PolarHBondContact O-N 3.44Å; V354-G357 PolarHBondContact O-N 2.94Å; F355-G357 PolarHBondContact O-N 2.86Å; G357-V360 PolarHBondContact O-N 3.35Å; G357-L361 VanDerWaalsContact O-CB 3.25Å; G357-L361 WeakPolarHBondContact O-CB 3.46Å; G357-L361 PolarHBondContact O-N 3.25Å
358G95.4Very high93.3Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-61.9-42.9173.500000113V354 F355 L356 A362V354-G358 PolarHBondContact O-N 3.02Å; F355-G358 CarbonylContact O-C 3.56Å; F355-G358 PolarHBondContact O-N 3.43Å; L356-G358 VanDerWaalsContact C-N 3.31Å; L356-G358 PolarHBondContact O-N 2.84Å; G358-A362 WeakPolarHBondContact O-CB 3.42Å; G358-A362 PolarHBondContact O-N 3.1Å
359A95.2Very high92.7Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-66.4-40.5178.500000112.8V10 G24 F355 L356 D363V10-A359 HydrophobicContact CG2-CB 4.46Å; G24-A359 PolarHBondContact N-O 2.91Å; F355-A359 HydrophobicContact CE1-CB 4.16Å; F355-A359 HydrophobicContact CZ-CB 4.49Å; F355-A359 WeakPolarHBondContact O-CB 3.42Å; F355-A359 PolarHBondContact O-N 2.88Å; L356-A359 PolarHBondContact O-N 3.43Å; A359-D363 WeakPolarHBondContact O-CB 3.33Å; A359-D363 PolarHBondContact O-N 3.41Å; A359-D363 VanDerWaalsContact O-N 3.13Å
360V93.1Very high92.5Very high73 Ų7347.5 Ų47.544%0.44224%0.239SC..Hα-helixtrans-67.4-49.6174.5172.10000110.6L356 G357 A362 D363 I364L356-V360 WeakPolarHBondContact O-CG2 3.23Å; L356-V360 PolarHBondContact O-N 3.16Å; G357-V360 PolarHBondContact O-N 3.35Å; V360-A362 PolarHBondContact O-N 2.79Å; V360-D363 PolarHBondContact O-N 2.91Å; V360-I364 HydrophobicContact CG1-CD1 3.68Å; V360-I364 VanDerWaalsContact O-CG1 3.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.24Å; V360-I364 PolarHBondContact O-N 3.12Å
361L93.4Very high92.3Very high22 Ų2247.6 Ų47.612%0.11524%0.24CC..Hα-helixtrans-61-46.1-180-17963.9000111.5L108 Y137 L144 Y147 G357 D363 I364 M365 F371L108-L361 HydrophobicContact CD1-CD2 4.25Å; L108-L361 HydrophobicContact CD1-CG 4.49Å; Y137-L361 HydrophobicContact CE1-CD2 4.34Å; L144-L361 HydrophobicContact CD2-CB 4.25Å; L144-L361 HydrophobicContact CD2-CD2 3.56Å; Y147-L361 HydrophobicContact CD2-CD1 4.4Å; Y147-L361 HydrophobicContact CD2-CD2 4.47Å; G357-L361 VanDerWaalsContact O-CB 3.25Å; G357-L361 WeakPolarHBondContact O-CB 3.46Å; G357-L361 PolarHBondContact O-N 3.25Å; L361-D363 VanDerWaalsContact C-N 3.29Å; L361-D363 PolarHBondContact O-N 2.96Å; L361-I364 PolarHBondContact O-N 3.18Å; L361-M365 HydrophobicContact CD1-CE 4.33Å; L361-M365 HydrophobicContact CD1-CG 3.84Å; L361-M365 HydrophobicContact CG-CG 4.4Å; L361-M365 VanDerWaalsContact O-CB 3.27Å; L361-M365 WeakPolarHBondContact O-CB 3.4Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.49Å; L361-M365 PolarHBondContact O-N 2.66Å; L361-F371 HydrophobicContact CD1-CE2 4.33Å; L361-F371 HydrophobicContact CD1-CZ 4.33Å; L361-F371 HydrophobicContact CD2-CE2 4.29Å; L361-F371 HydrophobicContact CD2-CZ 3.87Å; L361-F371 HydrophobicContact CG-CE2 4.36Å; L361-F371 HydrophobicContact CG-CZ 3.89Å
362A94.4Very high92.3Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-63.2-34.3178.800000112.4V8 V10 A23 L108 G358 V360 K366 W372V8-A362 HydrophobicContact CG1-CB 3.86Å; V10-A362 HydrophobicContact CG2-CB 3.85Å; A23-A362 HydrophobicContact CB-CB 3.75Å; L108-A362 HydrophobicContact CB-CB 4.33Å; L108-A362 HydrophobicContact CD1-CB 4.04Å; G358-A362 WeakPolarHBondContact O-CB 3.42Å; G358-A362 PolarHBondContact O-N 3.1Å; V360-A362 PolarHBondContact O-N 2.79Å; A362-K366 WeakPolarHBondContact O-CA 3.14Å; A362-K366 WeakPolarHBondContact O-CB 3.41Å; A362-K366 PolarHBondContact O-N 3.35Å; A362-W372 HydrophobicContact CB-CH2 4.34Å
363D93.5Very high92.5Very high58 Ų5841.8 Ų41.831%0.3121%0.214SC..Hα-helixtrans-73-40.8178.6-171.946.1000112.2A23 A359 V360 L361 M365 K366A23-D363 HydrophobicContact CB-CB 4.09Å; A359-D363 WeakPolarHBondContact O-CB 3.33Å; A359-D363 PolarHBondContact O-N 3.41Å; A359-D363 VanDerWaalsContact O-N 3.13Å; V360-D363 PolarHBondContact O-N 2.91Å; L361-D363 VanDerWaalsContact C-N 3.29Å; L361-D363 PolarHBondContact O-N 2.96Å; D363-M365 VanDerWaalsContact C-N 3.32Å; D363-K366 VanDerWaalsContact O-CD 3.24Å; D363-K366 WeakPolarHBondContact O-CD 3.3Å; D363-K366 WeakPolarHBondContact O-CE 3.38Å; D363-K366 VanDerWaalsContact O-CG 3.3Å; D363-K366 WeakPolarHBondContact O-CG 3.5Å; D363-K366 IonicContact OD1-NZ 3.64Å; D363-K366 PolarHBondContact OD1-NZ 2.95Å
364I91.5Very high92.5Very high116 Ų11643.2 Ų43.260%0.59522%0.223SC*.Hα-helixtrans-67.5-36.8176.6-63.1165.4000110.7V360 L361V360-I364 HydrophobicContact CG1-CD1 3.68Å; V360-I364 VanDerWaalsContact O-CG1 3.32Å; V360-I364 WeakPolarHBondContact O-CG1 3.24Å; V360-I364 PolarHBondContact O-N 3.12Å; L361-I364 PolarHBondContact O-N 3.18Å
365M93Very high92.5Very high56 Ų5646.5 Ų46.528%0.27624%0.235SC..Hα-helixtrans-96.21-173.9-63.8-64-151.400114.6L361 D363 D367 K368 F371 W372L361-M365 HydrophobicContact CD1-CE 4.33Å; L361-M365 HydrophobicContact CD1-CG 3.84Å; L361-M365 HydrophobicContact CG-CG 4.4Å; L361-M365 VanDerWaalsContact O-CB 3.27Å; L361-M365 WeakPolarHBondContact O-CB 3.4Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.49Å; L361-M365 PolarHBondContact O-N 2.66Å; D363-M365 VanDerWaalsContact C-N 3.32Å; M365-D367 PolarHBondContact O-N 3.38Å; M365-K368 PolarHBondContact O-N 3.4Å; M365-K368 HydrophobicContact SD-CB 4.27Å; M365-K368 HydrophobicContact SD-CG 3.88Å; M365-F371 HydrophobicContact CB-CB 4.26Å; M365-F371 HydrophobicContact CB-CD1 3.45Å; M365-F371 VanDerWaalsContact CB-CD1 3.45Å; M365-F371 HydrophobicContact CB-CD2 4.12Å; M365-F371 HydrophobicContact CB-CE1 3.66Å; M365-F371 HydrophobicContact CB-CE2 4.31Å; M365-F371 HydrophobicContact CB-CG 3.68Å; M365-F371 HydrophobicContact CB-CZ 4.08Å; M365-F371 HydrophobicContact CE-CD2 3.83Å; M365-F371 HydrophobicContact CE-CE2 4.12Å; M365-F371 HydrophobicContact CG-CD1 4.06Å; M365-F371 HydrophobicContact CG-CD2 3.81Å; M365-F371 HydrophobicContact CG-CE1 4.11Å; M365-F371 HydrophobicContact CG-CE2 3.86Å; M365-F371 HydrophobicContact CG-CG 3.89Å; M365-F371 HydrophobicContact CG-CZ 4Å; M365-F371 HydrophobicContact SD-CB 4.44Å; M365-F371 HydrophobicContact SD-CD2 4.09Å; M365-F371 HydrophobicContact SD-CG 4.26Å; M365-W372 PolarHBondContact O-NE1 2.9Å
366K92.2Very high92.4Very high48 Ų4853.3 Ų53.321%0.20927%0.267CS..THydrogen-bonded Turntrans-53.8-33.7-173.865.9-165.3170.8-162.30114.5D2 V8 K106 A362 D363D2-K366 HydrophobicContact CB-CB 4.17Å; D2-K366 HydrophobicContact CB-CG 4.43Å; V8-K366 HydrophobicContact CG2-CB 3.88Å; K106-K366 PolarHBondContact NZ-O 3.44Å; A362-K366 WeakPolarHBondContact O-CA 3.14Å; A362-K366 WeakPolarHBondContact O-CB 3.41Å; A362-K366 PolarHBondContact O-N 3.35Å; D363-K366 VanDerWaalsContact O-CD 3.24Å; D363-K366 WeakPolarHBondContact O-CD 3.3Å; D363-K366 WeakPolarHBondContact O-CE 3.38Å; D363-K366 VanDerWaalsContact O-CG 3.3Å; D363-K366 WeakPolarHBondContact O-CG 3.5Å; D363-K366 IonicContact OD1-NZ 3.64Å; D363-K366 PolarHBondContact OD1-NZ 2.95Å
367D90.8Very high92.3Very high70 Ų7054.2 Ų54.237%0.37427%0.27SS..THydrogen-bonded Turntrans-101.16.8-177.8-64.7-50.7000114.1S3 M365S3-D367 WeakPolarHBondContact CB-OD1 3.38Å; S3-D367 PolarHBondContact N-OD1 3.08Å; S3-D367 PolarHBondContact OG-OD1 2.87Å; M365-D367 PolarHBondContact O-N 3.38Å
368K91Very high92.4Very high127 Ų12755.2 Ų55.255%0.55227%0.274SS*.  trans-95.499.6-179.5-63.1-64.7-176.1-179.20110.5M365 N370 F371M365-K368 PolarHBondContact O-N 3.4Å; M365-K368 HydrophobicContact SD-CB 4.27Å; M365-K368 HydrophobicContact SD-CG 3.88Å; K368-N370 VanDerWaalsContact C-N 3.25Å; K368-N370 PolarHBondContact O-N 2.75Å; K368-F371 HydrophobicContact CB-CB 3.92Å; K368-F371 WeakPolarHBondContact O-CB 3.23Å; K368-F371 PolarHBondContact O-N 3.09Å
369D80.6Confident92.3Very high102 Ų10261.4 Ų61.455%0.54530%0.303SS..THydrogen-bonded Turntrans-61-33-177.8-62-35.6000113.2F371 K388D369-F371 PolarHBondContact O-N 3.18Å; D369-K388 PolarHBondContact O-NZ 2.8Å
370N85.6Confident92.3Very high144 Ų14468.8 Ų68.877%0.7734%0.338SS*.THydrogen-bonded Turntrans-72.4-10.8175.8-71.6-6.4000114.1K368 K388K368-N370 VanDerWaalsContact C-N 3.25Å; K368-N370 PolarHBondContact O-N 2.75Å; N370-K388 WeakPolarHBondContact O-CE 3.34Å
371F90.4Very high92.2Very high23 Ų2371.2 Ų71.210%0.10134%0.342CS..THydrogen-bonded Turntrans-86.4-42.9178.4178.2-99.4000111.5Y137 L361 M365 K368 D369Y137-F371 AromaticContact CD1-CE1 3.85Å; Y137-F371 HydrophobicContact CD1-CE1 3.85Å; Y137-F371 HydrophobicContact CD1-CE2 4.24Å; Y137-F371 AromaticContact CD1-CZ 3.45Å; Y137-F371 HydrophobicContact CD1-CZ 3.45Å; Y137-F371 VanDerWaalsContact CD1-CZ 3.45Å; Y137-F371 HydrophobicContact CD2-CD1 4.08Å; Y137-F371 HydrophobicContact CD2-CD2 4.3Å; Y137-F371 AromaticContact CD2-CE1 3.74Å; Y137-F371 HydrophobicContact CD2-CE1 3.74Å; Y137-F371 AromaticContact CD2-CE2 3.97Å; Y137-F371 HydrophobicContact CD2-CE2 3.97Å; Y137-F371 HydrophobicContact CD2-CG 4.37Å; Y137-F371 AromaticContact CD2-CZ 3.69Å; Y137-F371 HydrophobicContact CD2-CZ 3.69Å; Y137-F371 VanDerWaalsContact CD2-O 3.23Å; Y137-F371 WeakPolarHBondContact CD2-O 3.09Å; Y137-F371 HydrophobicContact CE1-CE1 4.25Å; Y137-F371 AromaticContact CE1-CE2 3.79Å; Y137-F371 HydrophobicContact CE1-CE2 3.79Å; Y137-F371 AromaticContact CE1-CZ 3.4Å; Y137-F371 HydrophobicContact CE1-CZ 3.4Å; Y137-F371 HydrophobicContact CE2-CD1 4.47Å; Y137-F371 AromaticContact CE2-CD2 3.88Å; Y137-F371 HydrophobicContact CE2-CD2 3.88Å; Y137-F371 HydrophobicContact CE2-CE1 4.13Å; Y137-F371 AromaticContact CE2-CE2 3.47Å; Y137-F371 HydrophobicContact CE2-CE2 3.47Å; Y137-F371 VanDerWaalsContact CE2-CE2 3.47Å; Y137-F371 HydrophobicContact CE2-CG 4.38Å; Y137-F371 AromaticContact CE2-CZ 3.62Å; Y137-F371 HydrophobicContact CE2-CZ 3.62Å; Y137-F371 HydrophobicContact CG-CD1 4.3Å; Y137-F371 AromaticContact CG-CE1 3.57Å; Y137-F371 HydrophobicContact CG-CE1 3.57Å; Y137-F371 HydrophobicContact CG-CE2 4.31Å; Y137-F371 AromaticContact CG-CZ 3.59Å; Y137-F371 HydrophobicContact CG-CZ 3.59Å; Y137-F371 AromaticContact CZ-CE2 3.38Å; Y137-F371 AromaticContact CZ-CZ 3.49Å; Y137-F371 VanDerWaalsContact CZ-CZ 3.49Å; L361-F371 HydrophobicContact CD1-CE2 4.33Å; L361-F371 HydrophobicContact CD1-CZ 4.33Å; L361-F371 HydrophobicContact CD2-CE2 4.29Å; L361-F371 HydrophobicContact CD2-CZ 3.87Å; L361-F371 HydrophobicContact CG-CE2 4.36Å; L361-F371 HydrophobicContact CG-CZ 3.89Å; M365-F371 HydrophobicContact CB-CB 4.26Å; M365-F371 HydrophobicContact CB-CD1 3.45Å; M365-F371 VanDerWaalsContact CB-CD1 3.45Å; M365-F371 HydrophobicContact CB-CD2 4.12Å; M365-F371 HydrophobicContact CB-CE1 3.66Å; M365-F371 HydrophobicContact CB-CE2 4.31Å; M365-F371 HydrophobicContact CB-CG 3.68Å; M365-F371 HydrophobicContact CB-CZ 4.08Å; M365-F371 HydrophobicContact CE-CD2 3.83Å; M365-F371 HydrophobicContact CE-CE2 4.12Å; M365-F371 HydrophobicContact CG-CD1 4.06Å; M365-F371 HydrophobicContact CG-CD2 3.81Å; M365-F371 HydrophobicContact CG-CE1 4.11Å; M365-F371 HydrophobicContact CG-CE2 3.86Å; M365-F371 HydrophobicContact CG-CG 3.89Å; M365-F371 HydrophobicContact CG-CZ 4Å; M365-F371 HydrophobicContact SD-CB 4.44Å; M365-F371 HydrophobicContact SD-CD2 4.09Å; M365-F371 HydrophobicContact SD-CG 4.26Å; K368-F371 HydrophobicContact CB-CB 3.92Å; K368-F371 WeakPolarHBondContact O-CB 3.23Å; K368-F371 PolarHBondContact O-N 3.09Å; D369-F371 PolarHBondContact O-N 3.18Å
372W93.9Very high92.2Very high1 Ų171.5 Ų71.50%0.00435%0.35CS..SBendtrans-82141.5-177.1-59.892.3000111.1V8 K106 I107 L108 A362 M365 K388V8-W372 HydrophobicContact CG1-CH2 3.5Å; V8-W372 HydrophobicContact CG1-CZ2 3.7Å; K106-W372 HydrophobicContact CB-CD2 4.37Å; K106-W372 HydrophobicContact CB-CE3 4.1Å; K106-W372 HydrophobicContact CB-CH2 4.3Å; K106-W372 HydrophobicContact CB-CZ3 4.06Å; K106-W372 HydrophobicContact CD-CD2 3.81Å; K106-W372 HydrophobicContact CD-CE3 4.36Å; K106-W372 HydrophobicContact CD-CG 3.95Å; K106-W372 HydrophobicContact CD-CZ2 4.42Å; I107-W372 WeakPolarHBondContact O-CZ3 3.27Å; L108-W372 HydrophobicContact CB-CH2 4.14Å; L108-W372 HydrophobicContact CB-CZ3 4.29Å; A362-W372 HydrophobicContact CB-CH2 4.34Å; M365-W372 PolarHBondContact O-NE1 2.9Å; W372-K388 PolarHBondContact O-NZ 2.91Å
373L94.9Very high92Very high0 Ų073.5 Ų73.50%036%0.362CS..EExtended strand (participates in β ladder)trans-76.5120.4161.9-48.7174.8000106.1I124 F128 G135 V136 V385 L386 K388 L389I124-L373 HydrophobicContact CD1-CD1 3.74Å; I124-L373 HydrophobicContact CG1-CD1 4.5Å; F128-L373 HydrophobicContact CE2-CB 4.38Å; F128-L373 HydrophobicContact CZ-CB 4.13Å; F128-L373 WeakPolarHBondContact CZ-O 3.28Å; G135-L373 CarbonylContact C-O 3.59Å; G135-L373 WeakPolarHBondContact CA-O 3.47Å; V136-L373 PolarHBondContact N-O 2.87Å; V136-L373 VanDerWaalsContact O-CB 3.27Å; V136-L373 WeakPolarHBondContact O-CB 3.42Å; V136-L373 WeakPolarHBondContact O-CG 3.41Å; V136-L373 PolarHBondContact O-N 3.48Å; L373-V385 HydrophobicContact CB-CG2 3.93Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG2 3.84Å; L373-V385 WeakPolarHBondContact CD2-O 3.47Å; L373-V385 HydrophobicContact CG-CG2 4.35Å; L373-L386 HydrophobicContact CD1-CD2 4.08Å; L373-K388 HydrophobicContact CD2-CB 3.97Å; L373-K388 HydrophobicContact CD2-CD 3.96Å; L373-K388 HydrophobicContact CD2-CG 4.37Å; L373-L389 HydrophobicContact CD1-CD1 3.95Å; L373-L389 HydrophobicContact CD1-CG 4.44Å; L373-L389 HydrophobicContact CD2-CD2 4.44Å; L373-L389 HydrophobicContact CD2-CG 4.16Å
374T94.7Very high91.9Very high35 Ų3577.5 Ų77.522%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-91.7155.8-179.173.10000111.4E376 E377 Y378T374-E376 PolarHBondContact O-N 3.26Å; T374-E377 PolarHBondContact N-OE2 3.42Å; T374-E377 PolarHBondContact O-N 3.3Å; T374-E377 VanDerWaalsContact OG1-CG 3.3Å; T374-E377 WeakPolarHBondContact OG1-CG 3.44Å; T374-E377 PolarHBondContact OG1-N 2.96Å; T374-E377 VanDerWaalsContact OG1-N 3.15Å; T374-Y378 PolarHBondContact O-N 2.93Å
375R93.9Very high91.7Very high76 Ų7672.3 Ų72.329%0.28735%0.346SS..Hα-helixtrans-59.7-36.2173.9-176.2178.3173177.85.3112.3F128 A134 Y378 Q379F128-R375 HydrophobicContact CD1-CB 3.94Å; F128-R375 HydrophobicContact CD1-CG 4.2Å; F128-R375 HydrophobicContact CE1-CB 4.03Å; A134-R375 PolarHBondContact O-N 3.39Å; R375-Y378 PolarHBondContact O-N 2.82Å; R375-Q379 WeakPolarHBondContact O-CG 3.5Å; R375-Q379 PolarHBondContact O-N 2.92Å
376E93.3Very high91.5Very high143 Ų14369.6 Ų69.667%0.66833%0.333SS*.Hα-helixtrans-62.7-49.1176.8-65.7171.4-177.500110.8T374 Y378 Q379 E380T374-E376 PolarHBondContact O-N 3.26Å; E376-Y378 VanDerWaalsContact C-N 3.26Å; E376-Y378 PolarHBondContact O-N 3.36Å; E376-Q379 PolarHBondContact O-N 2.81Å; E376-Q379 VanDerWaalsContact O-N 3.14Å; E376-E380 PolarHBondContact O-N 2.79Å; E376-E380 VanDerWaalsContact O-N 3.11Å
377E93.6Very high91.1Very high45 Ų4571.5 Ų71.521%0.2134%0.343CS..Hα-helixtrans-58-39.8175.5-72.4173.4147.700111.7T374 E380 K381 V385 K388T374-E377 PolarHBondContact N-OE2 3.42Å; T374-E377 PolarHBondContact O-N 3.3Å; T374-E377 VanDerWaalsContact OG1-CG 3.3Å; T374-E377 WeakPolarHBondContact OG1-CG 3.44Å; T374-E377 PolarHBondContact OG1-N 2.96Å; T374-E377 VanDerWaalsContact OG1-N 3.15Å; E377-E380 PolarHBondContact O-N 2.84Å; E377-K381 WeakPolarHBondContact O-CB 3.43Å; E377-K381 PolarHBondContact O-N 2.81Å; E377-V385 HydrophobicContact CB-CG2 3.74Å; E377-K388 IonicContact OE1-NZ 3.54Å; E377-K388 PolarHBondContact OE1-NZ 3.33Å; E377-K388 IonicContact OE2-NZ 3.59Å; E377-K388 PolarHBondContact OE2-NZ 3.28Å
378Y95.2Very high90.6Very high21 Ų2171.9 Ų71.98%0.08234%0.341CS..Hα-helixtrans-67.9-39.3176.9177-99000112.7I124 F128 E129 T374 R375 E376 E380 G382 V383 V385I124-Y378 HydrophobicContact CG2-CD2 3.78Å; I124-Y378 HydrophobicContact CG2-CE2 3.81Å; F128-Y378 HydrophobicContact CB-CD1 3.44Å; F128-Y378 VanDerWaalsContact CB-CD1 3.44Å; F128-Y378 HydrophobicContact CB-CE1 3.62Å; F128-Y378 HydrophobicContact CB-CG 3.93Å; F128-Y378 AromaticContact CD2-CD1 3.92Å; F128-Y378 HydrophobicContact CD2-CD1 3.92Å; F128-Y378 AromaticContact CD2-CD2 3.65Å; F128-Y378 HydrophobicContact CD2-CD2 3.65Å; F128-Y378 HydrophobicContact CD2-CE1 4.5Å; F128-Y378 HydrophobicContact CD2-CE2 4.27Å; F128-Y378 AromaticContact CD2-CG 3.45Å; F128-Y378 HydrophobicContact CD2-CG 3.45Å; F128-Y378 VanDerWaalsContact CD2-CG 3.45Å; F128-Y378 HydrophobicContact CE2-CD2 4.26Å; F128-Y378 HydrophobicContact CE2-CG 4.11Å; F128-Y378 AromaticContact CG-CD1 3.84Å; F128-Y378 HydrophobicContact CG-CD1 3.84Å; F128-Y378 HydrophobicContact CG-CD2 4.41Å; F128-Y378 HydrophobicContact CG-CE1 4.42Å; F128-Y378 AromaticContact CG-CG 3.82Å; F128-Y378 HydrophobicContact CG-CG 3.82Å; E129-Y378 HydrophobicContact CG-CE1 3.96Å; E129-Y378 WeakPolarHBondContact CG-OH 3.33Å; E129-Y378 PolarHBondContact OE1-OH 3.1Å; T374-Y378 PolarHBondContact O-N 2.93Å; R375-Y378 PolarHBondContact O-N 2.82Å; E376-Y378 VanDerWaalsContact C-N 3.26Å; E376-Y378 PolarHBondContact O-N 3.36Å; Y378-E380 VanDerWaalsContact C-N 3.27Å; Y378-E380 PolarHBondContact O-N 2.77Å; Y378-G382 VanDerWaalsContact CD2-O 3.29Å; Y378-G382 WeakPolarHBondContact CD2-O 3.45Å; Y378-G382 WeakPolarHBondContact O-CA 3.48Å; Y378-G382 PolarHBondContact O-N 3.32Å; Y378-V383 HydrophobicContact CE2-CG1 4.27Å; Y378-V385 HydrophobicContact CD2-CG1 4.16Å
379Q94.3Very high90Very high130 Ų13067.9 Ų67.961%0.60733%0.326SS*.Hα-helixtrans-66.1-31177.1-75175.9-20.800112.5R375 E376R375-Q379 WeakPolarHBondContact O-CG 3.5Å; R375-Q379 PolarHBondContact O-N 2.92Å; E376-Q379 PolarHBondContact O-N 2.81Å; E376-Q379 VanDerWaalsContact O-N 3.14Å
380E94.3Very high89.5Confident155 Ų15566.3 Ų66.372%0.72433%0.334SS*.Hα-helixtrans-79.7-41.5177.1-68.7-179.9174.400113.3E376 E377 Y378E376-E380 PolarHBondContact O-N 2.79Å; E376-E380 VanDerWaalsContact O-N 3.11Å; E377-E380 PolarHBondContact O-N 2.84Å; Y378-E380 VanDerWaalsContact C-N 3.27Å; Y378-E380 PolarHBondContact O-N 2.77Å
381K92.4Very high88.8Confident124 Ų12460 Ų6054%0.53930%0.3SS..Hα-helixtrans-113.1-8.4-168.3-59.5178.3-174.51720114.1E377 R384E377-K381 WeakPolarHBondContact O-CB 3.43Å; E377-K381 PolarHBondContact O-N 2.81Å; K381-R384 HydrophobicContact CB-CB 4.4Å; K381-R384 WeakPolarHBondContact O-CB 3.42Å; K381-R384 PolarHBondContact O-N 2.84Å
382G92.8Very high87.6Confident27 Ų2764.5 Ų64.528%0.27833%0.33SS..G310 helixtrans59.1-142.6-169.100000112Y378 R384 V385Y378-G382 VanDerWaalsContact CD2-O 3.29Å; Y378-G382 WeakPolarHBondContact CD2-O 3.45Å; Y378-G382 WeakPolarHBondContact O-CA 3.48Å; Y378-G382 PolarHBondContact O-N 3.32Å; G382-R384 PolarHBondContact O-N 2.99Å; G382-R384 VanDerWaalsContact O-N 3.08Å; G382-V385 WeakPolarHBondContact O-CG1 3.33Å; G382-V385 PolarHBondContact O-N 3.15Å
383V91.1Very high86Confident43 Ų4365.4 Ų65.426%0.26134%0.335SS..G310 helixtrans-61.6-17.1-179.6-67.20000114.3E121 Y378 V385 L386 V393E121-V383 HydrophobicContact CB-CB 4.48Å; E121-V383 HydrophobicContact CB-CG1 4.26Å; E121-V383 HydrophobicContact CG-CB 4.26Å; Y378-V383 HydrophobicContact CE2-CG1 4.27Å; V383-V385 PolarHBondContact O-N 3.32Å; V383-V385 VanDerWaalsContact O-N 3.08Å; V383-L386 WeakPolarHBondContact O-CB 3.36Å; V383-L386 PolarHBondContact O-N 3.14Å; V383-L386 VanDerWaalsContact O-N 3.11Å; V383-V393 HydrophobicContact CG2-CG1 4.03Å
384R89.8Confident84.1Confident142 Ų14279.8 Ų79.854%0.53639%0.389SS..G310 helixtrans-64.6-11.7177.2-63.4-173.563.9-167.4-4.7113.7K381 G382 L386 E387K381-R384 HydrophobicContact CB-CB 4.4Å; K381-R384 WeakPolarHBondContact O-CB 3.42Å; K381-R384 PolarHBondContact O-N 2.84Å; G382-R384 PolarHBondContact O-N 2.99Å; G382-R384 VanDerWaalsContact O-N 3.08Å; R384-L386 PolarHBondContact O-N 3.44Å; R384-L386 VanDerWaalsContact O-N 3.08Å; R384-E387 IonicContact CZ-OE1 3.5Å; R384-E387 VanDerWaalsContact CZ-OE1 3.32Å; R384-E387 IonicContact NE-OE1 3.32Å; R384-E387 PolarHBondContact NE-OE1 2.98Å; R384-E387 IonicContact NH2-OE1 3.61Å; R384-E387 PolarHBondContact NH2-OE1 3.3Å; R384-E387 IonicContact NH2-OE2 2.78Å; R384-E387 PolarHBondContact NH2-OE2 3.03Å; R384-E387 WeakPolarHBondContact O-CB 3.19Å; R384-E387 WeakPolarHBondContact O-CG 3.48Å; R384-E387 PolarHBondContact O-N 2.88Å
385V88.5Confident83.6Confident6 Ų682 Ų824%0.03640%0.398CS..G310 helixtrans-53.2-2716972.90000112.2I124 L373 E377 Y378 G382 V383 E387 K388I124-V385 HydrophobicContact CG2-CG1 4.15Å; L373-V385 HydrophobicContact CB-CG2 3.93Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG2 3.84Å; L373-V385 WeakPolarHBondContact CD2-O 3.47Å; L373-V385 HydrophobicContact CG-CG2 4.35Å; E377-V385 HydrophobicContact CB-CG2 3.74Å; Y378-V385 HydrophobicContact CD2-CG1 4.16Å; G382-V385 WeakPolarHBondContact O-CG1 3.33Å; G382-V385 PolarHBondContact O-N 3.15Å; V383-V385 PolarHBondContact O-N 3.32Å; V383-V385 VanDerWaalsContact O-N 3.08Å; V385-E387 PolarHBondContact O-N 3.24Å; V385-K388 VanDerWaalsContact O-CB 3.28Å; V385-K388 WeakPolarHBondContact O-CB 3.43Å; V385-K388 PolarHBondContact O-N 2.65Å; V385-K388 VanDerWaalsContact O-N 3.17Å
386L87.4Confident83.1Confident0 Ų082.3 Ų82.30%040%0.404CS..G310 helixtrans-63.1-17.9175-74.1174.1000114.7R120 E121 I124 L373 V383 R384 K388 L389 V391 V393R120-L386 HydrophobicContact CB-CD1 4.49Å; R120-L386 HydrophobicContact CG-CD1 4.11Å; R120-L386 HydrophobicContact CG-CD2 3.95Å; E121-L386 HydrophobicContact CB-CD1 4.4Å; E121-L386 HydrophobicContact CG-CD1 3.79Å; I124-L386 HydrophobicContact CD1-CD2 4.25Å; I124-L386 HydrophobicContact CG1-CD1 4.15Å; I124-L386 HydrophobicContact CG1-CD2 3.66Å; I124-L386 HydrophobicContact CG1-CG 4Å; L373-L386 HydrophobicContact CD1-CD2 4.08Å; V383-L386 WeakPolarHBondContact O-CB 3.36Å; V383-L386 PolarHBondContact O-N 3.14Å; V383-L386 VanDerWaalsContact O-N 3.11Å; R384-L386 PolarHBondContact O-N 3.44Å; R384-L386 VanDerWaalsContact O-N 3.08Å; L386-K388 PolarHBondContact O-N 3.15Å; L386-L389 HydrophobicContact CD2-CD1 4.05Å; L386-L389 WeakPolarHBondContact O-CA 3.39Å; L386-L389 PolarHBondContact O-N 2.89Å; L386-V391 HydrophobicContact CB-CB 4.06Å; L386-V391 HydrophobicContact CB-CG2 4.41Å; L386-V391 WeakPolarHBondContact O-CB 3.05Å; L386-V391 PolarHBondContact O-N 3.09Å; L386-V393 HydrophobicContact CB-CG2 4.1Å
387E84.7Confident82.5Confident87 Ų8778.9 Ų78.941%0.40739%0.389SS..G310 helixtrans-57.8-28.7172.9-68.9174-169.700111.4R384 V385 L389 G390 V391R384-E387 IonicContact CZ-OE1 3.5Å; R384-E387 VanDerWaalsContact CZ-OE1 3.32Å; R384-E387 IonicContact NE-OE1 3.32Å; R384-E387 PolarHBondContact NE-OE1 2.98Å; R384-E387 IonicContact NH2-OE1 3.61Å; R384-E387 PolarHBondContact NH2-OE1 3.3Å; R384-E387 IonicContact NH2-OE2 2.78Å; R384-E387 PolarHBondContact NH2-OE2 3.03Å; R384-E387 WeakPolarHBondContact O-CB 3.19Å; R384-E387 WeakPolarHBondContact O-CG 3.48Å; R384-E387 PolarHBondContact O-N 2.88Å; V385-E387 PolarHBondContact O-N 3.24Å; E387-L389 PolarHBondContact O-N 2.89Å; E387-G390 PolarHBondContact O-N 3.26Å; E387-V391 WeakPolarHBondContact CA-O 3.37Å
388K80.8Confident81.8Confident78 Ų7880.9 Ų80.934%0.33940%0.4SS..G310 helixtrans-62.5-24.7174-166.6172.4175.3-178.20113D369 N370 W372 L373 E377 V385 L386 G390D369-K388 PolarHBondContact O-NZ 2.8Å; N370-K388 WeakPolarHBondContact O-CE 3.34Å; W372-K388 PolarHBondContact O-NZ 2.91Å; L373-K388 HydrophobicContact CD2-CB 3.97Å; L373-K388 HydrophobicContact CD2-CD 3.96Å; L373-K388 HydrophobicContact CD2-CG 4.37Å; E377-K388 IonicContact OE1-NZ 3.54Å; E377-K388 PolarHBondContact OE1-NZ 3.33Å; E377-K388 IonicContact OE2-NZ 3.59Å; E377-K388 PolarHBondContact OE2-NZ 3.28Å; V385-K388 VanDerWaalsContact O-CB 3.28Å; V385-K388 WeakPolarHBondContact O-CB 3.43Å; V385-K388 PolarHBondContact O-N 2.65Å; V385-K388 VanDerWaalsContact O-N 3.17Å; L386-K388 PolarHBondContact O-N 3.15Å; K388-G390 VanDerWaalsContact C-N 3.34Å
389L77Confident81Confident44 Ų4484.7 Ų84.723%0.2342%0.42CS..G310 helixtrans-95.414.1174.6-56-176.5000112.5Y137 I138 L373 L386 E387 V391Y137-L389 HydrophobicContact CD2-CD2 3.86Å; Y137-L389 HydrophobicContact CE2-CD2 3.34Å; I138-L389 HydrophobicContact CB-CD1 4.45Å; L373-L389 HydrophobicContact CD1-CD1 3.95Å; L373-L389 HydrophobicContact CD1-CG 4.44Å; L373-L389 HydrophobicContact CD2-CD2 4.44Å; L373-L389 HydrophobicContact CD2-CG 4.16Å; L386-L389 HydrophobicContact CD2-CD1 4.05Å; L386-L389 WeakPolarHBondContact O-CA 3.39Å; L386-L389 PolarHBondContact O-N 2.89Å; E387-L389 PolarHBondContact O-N 2.89Å; L389-V391 VanDerWaalsContact C-N 3.29Å; L389-V391 HydrophobicContact CB-CG2 4.19Å; L389-V391 PolarHBondContact O-N 2.98Å
390G71.6Confident80.1Confident69 Ų6981.7 Ų81.771%0.71141%0.407SS*.THydrogen-bonded Turntrans72.819.4-178.700000114E387 K388E387-G390 PolarHBondContact O-N 3.26Å; K388-G390 VanDerWaalsContact C-N 3.34Å
391V69.4Low79.1Confident10 Ų1076.4 Ų76.46%0.06139%0.385CS..  trans-93.6119.5179.5-1710000109.9T117 L386 E387 L389 V393T117-V391 HydrophobicContact CG2-CG1 3.81Å; L386-V391 HydrophobicContact CB-CB 4.06Å; L386-V391 HydrophobicContact CB-CG2 4.41Å; L386-V391 WeakPolarHBondContact O-CB 3.05Å; L386-V391 PolarHBondContact O-N 3.09Å; E387-V391 WeakPolarHBondContact CA-O 3.37Å; L389-V391 VanDerWaalsContact C-N 3.29Å; L389-V391 HydrophobicContact CB-CG2 4.19Å; L389-V391 PolarHBondContact O-N 2.98Å; V391-V393 PolarHBondContact O-N 3.46Å
392T66.8Low78.1Confident118 Ų11872.8 Ų72.872%0.72437%0.373SS*.  trans-77.7107.5171.9-45.40000109.7
393V60.2Low76.9Confident21 Ų2176.6 Ų76.613%0.12738%0.381CS..  trans-87.6131.5171.4-175.20000107.9V383 L386 V391V383-V393 HydrophobicContact CG2-CG1 4.03Å; L386-V393 HydrophobicContact CB-CG2 4.1Å; V391-V393 PolarHBondContact O-N 3.46Å
394R55Low75.6Confident301 Ų30179.6 Ų79.6100%1.13639%0.392SS*.  trans-102.70-179.5-80.4-169.8-178.5-177.51.3112.1

Retrieved 394 of 394 residues in 586.8 ms (Link to these results)

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