A0A060W7J5_ONCMY 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 A0A060W7J5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene actr2a, 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
1M76.5Confident86.1Confident143 Ų14350.9 Ų50.970%0.70428%0.28SS*.  0151.30-67.4174.2178.700108.1R6 K7M1-R6 CarbonylContact C-O 3.58Å; M1-R6 WeakPolarHBondContact CA-O 3.21Å; M1-R6 WeakPolarHBondContact CB-O 3.05Å; M1-K7 HydrophobicContact CE-CG 4.25Å; M1-K7 HydrophobicContact CG-CG 4.4Å
2D77.2Confident87Confident9 Ų947.3 Ų47.35%0.04826%0.26CS..  trans-77177.1169.877.3-1.9000111.1Q4 G5 R6 K106 K366D2-Q4 PolarHBondContact O-N 3.08Å; D2-Q4 VanDerWaalsContact O-N 3.13Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.48Å; D2-Q4 PolarHBondContact OD1-N 2.75Å; D2-G5 PolarHBondContact O-N 3.07Å; D2-G5 PolarHBondContact OD1-N 3.46Å; D2-G5 VanDerWaalsContact OD1-N 3.17Å; D2-R6 PolarHBondContact N-O 2.86Å; D2-R6 WeakPolarHBondContact OD1-CB 3.36Å; D2-R6 PolarHBondContact OD1-N 2.87Å; D2-R6 IonicContact OD1-NE 3.22Å; D2-R6 IonicContact OD2-CZ 2.78Å; D2-R6 IonicContact OD2-NE 2.56Å; D2-R6 PolarHBondContact OD2-NE 3.04Å; D2-R6 IonicContact OD2-NH2 2.69Å; D2-R6 PolarHBondContact OD2-NH2 2.81Å; D2-K106 WeakPolarHBondContact OD2-CE 3.49Å; D2-K106 IonicContact OD2-NZ 3.78Å; D2-K106 PolarHBondContact OD2-NZ 3.43Å; D2-K366 HydrophobicContact CB-CB 4.19Å; D2-K366 HydrophobicContact CB-CG 4.44Å
3S72.1Confident87.5Confident100 Ų10044.8 Ų44.870%0.69925%0.246SC*.THydrogen-bonded Turntrans-57.7-19.3178.144.90000114.6D367S3-D367 WeakPolarHBondContact CB-OD1 3.48Å; S3-D367 PolarHBondContact N-OD1 2.95Å; S3-D367 PolarHBondContact OG-OD1 3.42Å
4Q76.9Confident87.8Confident132 Ų13242.2 Ų42.262%0.61724%0.235SC*.THydrogen-bonded Turntrans-96.75.8175.4-60-178.54.100112.3D2 R6D2-Q4 PolarHBondContact O-N 3.08Å; D2-Q4 VanDerWaalsContact O-N 3.13Å; D2-Q4 WeakPolarHBondContact OD1-CA 3.48Å; D2-Q4 PolarHBondContact OD1-N 2.75Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.41Å; Q4-R6 VanDerWaalsContact CD-NH2 3.3Å
5G80.5Confident88Confident44 Ų4440.1 Ų40.145%0.45422%0.223SC..SBendtrans80.36.1-178.300000114.3D2D2-G5 PolarHBondContact O-N 3.07Å; D2-G5 PolarHBondContact OD1-N 3.46Å; D2-G5 VanDerWaalsContact OD1-N 3.17Å
6R84.8Confident88.2Confident48 Ų4837.9 Ų37.918%0.18121%0.212CC..  trans-74.4141-179.2-61.2178.1-68.5-157.6-10110.7M1 D2 Q4 N104 K106M1-R6 CarbonylContact C-O 3.58Å; M1-R6 WeakPolarHBondContact CA-O 3.21Å; M1-R6 WeakPolarHBondContact CB-O 3.05Å; D2-R6 PolarHBondContact N-O 2.86Å; D2-R6 WeakPolarHBondContact OD1-CB 3.36Å; D2-R6 PolarHBondContact OD1-N 2.87Å; D2-R6 IonicContact OD1-NE 3.22Å; D2-R6 IonicContact OD2-CZ 2.78Å; D2-R6 IonicContact OD2-NE 2.56Å; D2-R6 PolarHBondContact OD2-NE 3.04Å; D2-R6 IonicContact OD2-NH2 2.69Å; D2-R6 PolarHBondContact OD2-NH2 2.81Å; Q4-R6 VanDerWaalsContact C-N 3.31Å; Q4-R6 HydrophobicContact CB-CG 4.41Å; Q4-R6 VanDerWaalsContact CD-NH2 3.3Å; R6-N104 WeakPolarHBondContact CB-O 3.37Å; R6-N104 WeakPolarHBondContact CG-O 3.35Å; R6-K106 VanDerWaalsContact CZ-CE 3.42Å
7K90.9Very high88.6Confident80 Ų8038.8 Ų38.835%0.34821%0.214SC..EExtended strand (participates in β ladder)trans-75.8141.5171.5-64.9-177.8-179.6-178.10109.3M1 Y22 I100 C105 K106M1-K7 HydrophobicContact CE-CG 4.25Å; M1-K7 HydrophobicContact CG-CG 4.4Å; K7-Y22 HydrophobicContact CB-CD1 4.32Å; K7-Y22 HydrophobicContact CB-CE1 4.11Å; K7-Y22 HydrophobicContact CD-CE1 3.76Å; K7-Y22 HydrophobicContact CG-CE1 4.42Å; K7-I100 HydrophobicContact CD-CG2 4.43Å; K7-C105 VanDerWaalsContact O-CA 3.29Å; K7-C105 WeakPolarHBondContact O-CA 3.38Å; K7-K106 PolarHBondContact O-N 3.38Å
8V95.8Very high89.1Confident4 Ų436.6 Ų36.62%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-111115.7175.4-174.50000107.6Y22 A23 K106 A362 K366 W372V8-Y22 WeakPolarHBondContact O-CA 3.48Å; V8-A23 HydrophobicContact CB-CB 3.76Å; V8-A23 HydrophobicContact CG1-CB 3.88Å; V8-A23 PolarHBondContact O-N 3.01Å; V8-K106 WeakPolarHBondContact CA-O 3.39Å; V8-K106 HydrophobicContact CG1-CB 4.42Å; V8-K106 HydrophobicContact CG2-CB 4.37Å; V8-A362 HydrophobicContact CG1-CB 3.88Å; V8-K366 HydrophobicContact CG2-CB 3.87Å; V8-W372 HydrophobicContact CG1-CH2 3.52Å; V8-W372 HydrophobicContact CG1-CZ2 3.7Å
9V97.3Very high89.5Confident0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-99.4142.6-174.5-179.60000108.7G21 Y22 L98 I100 C105 K106 I107 L108V9-G21 WeakPolarHBondContact CA-O 3.25Å; V9-Y22 HydrophobicContact CG2-CD1 4.31Å; V9-Y22 HydrophobicContact CG2-CE1 4.16Å; V9-L98 HydrophobicContact CG1-CD1 3.7Å; V9-I100 HydrophobicContact CG2-CD1 3.61Å; V9-C105 HydrophobicContact CG2-CB 4.38Å; V9-K106 PolarHBondContact N-O 2.9Å; V9-I107 HydrophobicContact CB-CB 4.47Å; V9-I107 HydrophobicContact CB-CG1 4.25Å; V9-I107 HydrophobicContact CG1-CD1 4.42Å; V9-I107 HydrophobicContact CG1-CG1 4.33Å; V9-I107 CarbonylContact O-C 3.57Å; V9-I107 WeakPolarHBondContact O-CA 3.39Å; V9-L108 PolarHBondContact O-N 2.9Å
10V97.8Very high89.9Confident0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-120131.3171.6-179.10000108C20 G21 L108 F355 A362V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.39Å; V10-G21 PolarHBondContact N-O 3.29Å; V10-G21 PolarHBondContact O-N 3.09Å; V10-G21 VanDerWaalsContact O-N 3.08Å; V10-L108 WeakPolarHBondContact CA-O 3.29Å; V10-L108 HydrophobicContact CG1-CD2 4.12Å; V10-L108 HydrophobicContact CG2-CB 4.31Å; V10-F355 HydrophobicContact CB-CD2 4.33Å; V10-F355 HydrophobicContact CB-CE2 3.84Å; V10-F355 HydrophobicContact CB-CZ 4.46Å; V10-F355 HydrophobicContact CG1-CD2 3.86Å; V10-F355 HydrophobicContact CG1-CE2 3.91Å; V10-A362 HydrophobicContact CG2-CB 3.78Å
11C97.5Very high90.2Very high0 Ų032.8 Ų32.80%018%0.179CC..EExtended strand (participates in β ladder)trans-136.6111.3179.5-172.40000110.7N13 C20 I107 L108 L109 T110C11-N13 PolarHBondContact SG-OD1 3.4Å; C11-N13 VanDerWaalsContact SG-OD1 3.39Å; C11-C20 HydrophobicContact CB-CB 4.28Å; C11-I107 HydrophobicContact CB-CD1 4.38Å; C11-L108 PolarHBondContact N-O 3.45Å; C11-L109 HydrophobicContact CB-CD2 3.94Å; C11-T110 PolarHBondContact O-N 3.42Å
12D96.3Very high91.2Very high8 Ų828 Ų284%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-91.3105.6171.2175.744.6000110.3G14 V18 K19 T110 Q141 V354D12-G14 PolarHBondContact O-N 2.91Å; D12-G14 VanDerWaalsContact O-N 3.1Å; D12-V18 WeakPolarHBondContact O-CA 3.43Å; D12-K19 HydrophobicContact CB-CB 4.36Å; D12-K19 HydrophobicContact CB-CD 4.28Å; D12-K19 PolarHBondContact N-O 3.14Å; D12-K19 PolarHBondContact O-N 3.48Å; D12-K19 WeakPolarHBondContact OD2-CD 3.3Å; D12-K19 IonicContact OD2-NZ 3.63Å; D12-K19 PolarHBondContact OD2-NZ 3.38Å; D12-T110 VanDerWaalsContact CA-OG1 3.3Å; D12-T110 WeakPolarHBondContact CA-OG1 3.2Å; D12-T110 HydrophobicContact CB-CG2 4.01Å; D12-T110 PolarHBondContact OD1-OG1 3.07Å; D12-Q141 PolarHBondContact OD1-NE2 3.13Å; D12-V354 HydrophobicContact CB-CG1 4.45Å
13N93.4Very high92.1Very high14 Ų1428.5 Ų28.58%0.07516%0.159CC..EExtended strand (participates in β ladder)trans-83.880.4-179.8-60.1-53.9000109.9C11 M74 M85 W89C11-N13 PolarHBondContact SG-OD1 3.4Å; C11-N13 VanDerWaalsContact SG-OD1 3.39Å; N13-M74 HydrophobicContact CB-CE 4.19Å; N13-M74 HydrophobicContact CB-SD 3.83Å; N13-M74 VanDerWaalsContact O-SD 3.38Å; N13-M85 HydrophobicContact CB-CE 4.05Å; N13-W89 PolarHBondContact OD1-NE1 3.41Å
14G91.6Very high93Very high9 Ų925.7 Ų25.79%0.09315%0.146CC..  trans-82.7142.6176.900000112.7D12 G16 F17 A34 M74D12-G14 PolarHBondContact O-N 2.91Å; D12-G14 VanDerWaalsContact O-N 3.1Å; G14-G16 PolarHBondContact O-N 3.29Å; G14-G16 VanDerWaalsContact O-N 3.09Å; G14-F17 VanDerWaalsContact CA-O 3.25Å; G14-F17 WeakPolarHBondContact CA-O 3.25Å; G14-F17 PolarHBondContact N-O 2.63Å; G14-F17 CarbonylContact O-C 3.57Å; G14-F17 PolarHBondContact O-N 3.08Å; G14-A34 WeakPolarHBondContact O-CB 3.3Å; G14-M74 WeakPolarHBondContact O-CE 3.42Å
15T91.3Very high93.7Very high10 Ų1021.1 Ų21.16%0.06113%0.128CC..SBendtrans-48.4-39.3178-49.60000114.5G77T15-G77 WeakPolarHBondContact OG1-CA 3.27Å; T15-G77 PolarHBondContact OG1-N 3.19Å
16G91.9Very high94.1Very high5 Ų523.9 Ų23.95%0.05213%0.133CC..SBendtrans-96.4-39178.700000113.4G14 P33 A34 D161G14-G16 PolarHBondContact O-N 3.29Å; G14-G16 VanDerWaalsContact O-N 3.09Å; G16-P33 CarbonylContact O-C 3.59Å; G16-P33 WeakPolarHBondContact O-CA 3.42Å; G16-A34 PolarHBondContact O-N 2.97Å; G16-D161 VanDerWaalsContact CA-OD2 3.32Å; G16-D161 WeakPolarHBondContact CA-OD2 3.44Å
17F95.1Very high94.3Very high53 Ų5327.6 Ų27.623%0.23215%0.151CC..EExtended strand (participates in β ladder)trans-141133.3-172.6-66.1-89.7000110.7G14 K19 I31 F32 P33G14-F17 VanDerWaalsContact CA-O 3.25Å; G14-F17 WeakPolarHBondContact CA-O 3.25Å; G14-F17 PolarHBondContact N-O 2.63Å; G14-F17 CarbonylContact O-C 3.57Å; G14-F17 PolarHBondContact O-N 3.08Å; F17-K19 VanDerWaalsContact O-CE 3.24Å; F17-K19 WeakPolarHBondContact O-CE 3.32Å; F17-K19 PolarHBondContact O-NZ 3.48Å; F17-I31 HydrophobicContact CB-CG2 4.27Å; F17-I31 HydrophobicContact CD1-CG2 4.21Å; F17-F32 CarbonylContact C-O 3.6Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.48Å; F17-P33 HydrophobicContact CD1-CB 4.34Å; F17-P33 HydrophobicContact CE1-CB 4.22Å
18V96.9Very high94.5Very high0 Ų024.6 Ų24.60%014%0.139CC..EExtended strand (participates in β ladder)trans-80.8138.2165.6-179.20000108.3D12 I31 F32 A34 L88 T92D12-V18 WeakPolarHBondContact O-CA 3.43Å; V18-I31 WeakPolarHBondContact O-CA 3.33Å; 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 4.04Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.61Å; V18-F32 HydrophobicContact CG2-CD2 4.48Å; V18-F32 HydrophobicContact CG2-CE2 3.81Å; V18-F32 HydrophobicContact CG2-CZ 4.13Å; V18-F32 PolarHBondContact N-O 3.24Å; V18-F32 PolarHBondContact O-N 2.93Å; V18-A34 HydrophobicContact CG2-CB 3.97Å; V18-L88 HydrophobicContact CG2-CD1 4.21Å; V18-L88 HydrophobicContact CG2-CD2 3.76Å; V18-L88 HydrophobicContact CG2-CG 4.09Å; V18-T92 HydrophobicContact CG1-CG2 4.48Å
19K97.1Very high94.5Very high29 Ų2929.4 Ų29.413%0.12616%0.162CC..EExtended strand (participates in β ladder)trans-125.4119170.1-5394.6-172.3170.80108.2D12 F17 P28 H30 I31 F355D12-K19 HydrophobicContact CB-CB 4.36Å; D12-K19 HydrophobicContact CB-CD 4.28Å; D12-K19 PolarHBondContact N-O 3.14Å; D12-K19 PolarHBondContact O-N 3.48Å; D12-K19 WeakPolarHBondContact OD2-CD 3.3Å; D12-K19 IonicContact OD2-NZ 3.63Å; D12-K19 PolarHBondContact OD2-NZ 3.38Å; F17-K19 VanDerWaalsContact O-CE 3.24Å; F17-K19 WeakPolarHBondContact O-CE 3.32Å; F17-K19 PolarHBondContact O-NZ 3.48Å; K19-P28 HydrophobicContact CB-CB 3.86Å; K19-P28 HydrophobicContact CB-CG 3.89Å; K19-P28 HydrophobicContact CG-CG 4.32Å; K19-H30 WeakPolarHBondContact CA-O 3.23Å; K19-I31 HydrophobicContact CB-CG1 4.45Å; K19-I31 HydrophobicContact CG-CG1 4.05Å; K19-I31 HydrophobicContact CG-CG2 4.22Å; K19-F355 HydrophobicContact CB-CB 4.47Å; K19-F355 HydrophobicContact CB-CD2 4.36Å
20C97.2Very high94.5Very high0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-134.5161.1-179.167.60000112V10 C11 E29 H30 T92 L98V10-C20 VanDerWaalsContact O-CA 3.23Å; V10-C20 WeakPolarHBondContact O-CA 3.39Å; C11-C20 HydrophobicContact CB-CB 4.28Å; C20-E29 PolarHBondContact O-N 3Å; C20-H30 PolarHBondContact N-O 3.38Å; C20-H30 PolarHBondContact O-N 3.13Å; C20-H30 VanDerWaalsContact O-N 3.08Å; C20-T92 HydrophobicContact CB-CG2 3.95Å; C20-L98 HydrophobicContact CB-CD1 4.13Å
21G97.1Very high94.5Very high0 Ų035.1 Ų35.10%019%0.19CC..EExtended strand (participates in β ladder)trans168.9-156.2-178.400000110.1V9 V10V9-G21 WeakPolarHBondContact CA-O 3.25Å; V10-G21 PolarHBondContact N-O 3.29Å; V10-G21 PolarHBondContact O-N 3.09Å; V10-G21 VanDerWaalsContact O-N 3.08Å
22Y96.8Very high94.4Very high42 Ų4235.2 Ų35.217%0.16519%0.19CC..EExtended strand (participates in β ladder)trans-110.6157.9-175.5-61.1-76.6000112.8K7 V8 V9 S25 E29 L98 I100K7-Y22 HydrophobicContact CB-CD1 4.32Å; K7-Y22 HydrophobicContact CB-CE1 4.11Å; K7-Y22 HydrophobicContact CD-CE1 3.76Å; K7-Y22 HydrophobicContact CG-CE1 4.42Å; V8-Y22 WeakPolarHBondContact O-CA 3.48Å; V9-Y22 HydrophobicContact CG2-CD1 4.31Å; V9-Y22 HydrophobicContact CG2-CE1 4.16Å; Y22-S25 VanDerWaalsContact O-CB 3.26Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 3.3Å; Y22-S25 PolarHBondContact O-OG 3.1Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.25Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.48Å; Y22-L98 HydrophobicContact CE2-CD2 4.3Å; Y22-L98 PolarHBondContact OH-O 3.28Å; Y22-I100 HydrophobicContact CE1-CG2 4.36Å; Y22-I100 WeakPolarHBondContact OH-CG2 3.37Å
23A95.3Very high94.3Very high21 Ų2135.4 Ų35.417%0.17419%0.192CC..THydrogen-bonded Turntrans-54.7138.6167.900000110.9V8 S25 A362 D363V8-A23 HydrophobicContact CB-CB 3.76Å; V8-A23 HydrophobicContact CG1-CB 3.88Å; V8-A23 PolarHBondContact O-N 3.01Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.07Å; A23-A362 HydrophobicContact CB-CB 3.74Å; A23-D363 HydrophobicContact CB-CB 4.11Å
24G91.2Very high94.4Very high41 Ų4134.8 Ų34.842%0.42319%0.188SC..THydrogen-bonded Turntrans81.7-5-177.200000114.8A359G24-A359 PolarHBondContact N-O 3.16Å
25S92.4Very high94.5Very high35 Ų3534.4 Ų34.425%0.24518%0.184CC..  trans-71.8132.8175.8-68.40000112.1Y22 A23 F27 A359Y22-S25 VanDerWaalsContact O-CB 3.26Å; Y22-S25 WeakPolarHBondContact O-CB 3.42Å; Y22-S25 PolarHBondContact O-N 3.3Å; Y22-S25 PolarHBondContact O-OG 3.1Å; A23-S25 VanDerWaalsContact C-N 3.26Å; A23-S25 PolarHBondContact O-N 3.07Å; S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 WeakPolarHBondContact CB-O 3.24Å; S25-A359 WeakPolarHBondContact O-CB 3.49Å
26N87.9Confident94.6Very high103 Ų10334 Ų3455%0.55118%0.181SC*.SBendtrans-77.4-18.5176.2-77.5-47.6000113.9
27F90.5Very high94.7Very high126 Ų12633.7 Ų33.755%0.55318%0.179SC*.SBendtrans-138.5149.2177.9-62.1-80.9000108.8S25 E29S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 WeakPolarHBondContact CB-O 3.24Å; F27-E29 PolarHBondContact O-N 3.28Å
28P94.9Very high94.6Very high17 Ų1735 Ų3511%0.1118%0.183CC..  trans-58135167.2-14.826.5000109.6K19 H30 I31 H352 F355K19-P28 HydrophobicContact CB-CB 3.86Å; K19-P28 HydrophobicContact CB-CG 3.89Å; K19-P28 HydrophobicContact CG-CG 4.32Å; P28-H30 VanDerWaalsContact C-N 3.34Å; P28-I31 HydrophobicContact CB-CD1 4.24Å; P28-I31 HydrophobicContact CB-CG1 3.8Å; P28-I31 HydrophobicContact CG-CD1 4.1Å; P28-I31 HydrophobicContact CG-CG1 4.13Å; P28-H352 HydrophobicContact CG-CB 4.08Å; P28-F355 VanDerWaalsContact CA-CE1 3.45Å; P28-F355 HydrophobicContact CB-CD1 4.07Å; P28-F355 HydrophobicContact CB-CD2 4.33Å; P28-F355 HydrophobicContact CB-CE1 4.09Å; P28-F355 HydrophobicContact CB-CE2 4.34Å; P28-F355 HydrophobicContact CB-CG 4.21Å; P28-F355 HydrophobicContact CB-CZ 4.23Å; P28-F355 HydrophobicContact CG-CB 4.24Å; P28-F355 HydrophobicContact CG-CD1 3.58Å; P28-F355 HydrophobicContact CG-CD2 4.37Å; P28-F355 HydrophobicContact CG-CE1 4.05Å; P28-F355 HydrophobicContact CG-CG 3.78Å
29E95.7Very high94.2Very high105 Ų10536.4 Ų36.449%0.49119%0.191SC..SBendtrans-73.3-34.6178.5-170.4167.5-179.600110.8C20 Y22 F27C20-E29 PolarHBondContact O-N 3Å; Y22-E29 WeakPolarHBondContact CD2-OE2 3.25Å; Y22-E29 WeakPolarHBondContact CE2-OE2 3.48Å; F27-E29 PolarHBondContact O-N 3.28Å
30H97.4Very high93.6Very high47 Ų4740.5 Ų40.522%0.21821%0.213CC..EExtended strand (participates in β ladder)trans-130.2139.4172.9-52.8-68.4000111.4K19 C20 P28 F32 K97K19-H30 WeakPolarHBondContact CA-O 3.23Å; C20-H30 PolarHBondContact N-O 3.38Å; C20-H30 PolarHBondContact O-N 3.13Å; C20-H30 VanDerWaalsContact O-N 3.08Å; P28-H30 VanDerWaalsContact C-N 3.34Å; H30-F32 HydrophobicContact CB-CD1 4.18Å; H30-F32 HydrophobicContact CB-CE1 4.37Å; H30-K97 HydrophobicContact CB-CD 4.18Å; H30-K97 PolarHBondContact NE2-O 3.36Å
31I96.4Very high92.7Very high73 Ų7346.3 Ų46.337%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-133.6121.3170.9-55.7169.6000106.3F17 V18 K19 P28F17-I31 HydrophobicContact CB-CG2 4.27Å; F17-I31 HydrophobicContact CD1-CG2 4.21Å; V18-I31 WeakPolarHBondContact O-CA 3.33Å; K19-I31 HydrophobicContact CB-CG1 4.45Å; K19-I31 HydrophobicContact CG-CG1 4.05Å; K19-I31 HydrophobicContact CG-CG2 4.22Å; P28-I31 HydrophobicContact CB-CD1 4.24Å; P28-I31 HydrophobicContact CB-CG1 3.8Å; P28-I31 HydrophobicContact CG-CD1 4.1Å; P28-I31 HydrophobicContact CG-CG1 4.13Å
32F95.9Very high91.2Very high1 Ų158.1 Ų58.10%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-148.1156.4-178.457.4-92.1000109.9F17 V18 H30 L88 Y91 T92 K97F17-F32 CarbonylContact C-O 3.6Å; F17-F32 VanDerWaalsContact CA-O 3.28Å; F17-F32 WeakPolarHBondContact CA-O 3.48Å; 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 4.04Å; V18-F32 HydrophobicContact CG1-CE2 4.16Å; V18-F32 HydrophobicContact CG1-CZ 3.61Å; V18-F32 HydrophobicContact CG2-CD2 4.48Å; V18-F32 HydrophobicContact CG2-CE2 3.81Å; V18-F32 HydrophobicContact CG2-CZ 4.13Å; V18-F32 PolarHBondContact N-O 3.24Å; V18-F32 PolarHBondContact O-N 2.93Å; H30-F32 HydrophobicContact CB-CD1 4.18Å; H30-F32 HydrophobicContact CB-CE1 4.37Å; F32-L88 HydrophobicContact CE2-CD1 3.83Å; F32-Y91 HydrophobicContact CD1-CE1 4.28Å; F32-Y91 AromaticContact CD2-CD1 3.97Å; F32-Y91 HydrophobicContact CD2-CD1 3.97Å; F32-Y91 AromaticContact CD2-CE1 3.58Å; F32-Y91 HydrophobicContact CD2-CE1 3.58Å; F32-Y91 HydrophobicContact CE1-CE1 4.37Å; F32-Y91 AromaticContact CE2-CD1 3.56Å; F32-Y91 HydrophobicContact CE2-CD1 3.56Å; F32-Y91 AromaticContact CE2-CE1 3.68Å; F32-Y91 HydrophobicContact CE2-CE1 3.68Å; F32-Y91 AromaticContact CG-CE1 3.9Å; F32-Y91 HydrophobicContact CG-CE1 3.9Å; F32-Y91 AromaticContact CZ-CD1 3.86Å; F32-Y91 HydrophobicContact CZ-CD1 3.86Å; F32-Y91 HydrophobicContact CZ-CE1 4.07Å; F32-T92 HydrophobicContact CZ-CG2 4.26Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.43Å; F32-K97 HydrophobicContact CD1-CD 4.05Å; F32-K97 HydrophobicContact CD1-CG 4.35Å; F32-K97 HydrophobicContact CE1-CD 4.22Å; F32-K97 HydrophobicContact CE1-CG 4.03Å
33P94.6Very high89.3Confident13 Ų1359 Ų598%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-68.8139.6-176.127-32.4000111.4G16 F17 L35 G58 D59G16-P33 CarbonylContact O-C 3.59Å; G16-P33 WeakPolarHBondContact O-CA 3.42Å; F17-P33 HydrophobicContact CD1-CB 4.34Å; F17-P33 HydrophobicContact CE1-CB 4.22Å; P33-L35 HydrophobicContact CB-CD2 3.65Å; P33-L35 HydrophobicContact CB-CG 4.02Å; P33-L35 HydrophobicContact CG-CD2 3.88Å; P33-L35 HydrophobicContact CG-CG 4.14Å; P33-L35 PolarHBondContact O-N 3.24Å; P33-G58 WeakPolarHBondContact O-CA 3.17Å; P33-D59 VanDerWaalsContact CD-OD1 3.29Å; P33-D59 WeakPolarHBondContact CD-OD1 3.32Å
34A95.2Very high87.6Confident0 Ų064.6 Ų64.60%033%0.332CS..  trans-81.565.9-179.200000111G14 G16 V18 Y72 P73 M74 L88G14-A34 WeakPolarHBondContact O-CB 3.3Å; G16-A34 PolarHBondContact O-N 2.97Å; V18-A34 HydrophobicContact CG2-CB 3.97Å; A34-Y72 WeakPolarHBondContact O-CD1 3.36Å; A34-P73 WeakPolarHBondContact O-CD 3.5Å; A34-M74 HydrophobicContact CB-CE 3.66Å; A34-L88 HydrophobicContact CB-CD2 3.98Å
35L93.1Very high86.2Confident2 Ų264.4 Ų64.41%0.0133%0.327CS..  trans-135.2150.7-175.365.184.7000112.5P33 G58 A61 V70 N71 Y72P33-L35 HydrophobicContact CB-CD2 3.65Å; P33-L35 HydrophobicContact CB-CG 4.02Å; P33-L35 HydrophobicContact CG-CD2 3.88Å; P33-L35 HydrophobicContact CG-CG 4.14Å; P33-L35 PolarHBondContact O-N 3.24Å; L35-G58 PolarHBondContact O-N 3.11Å; L35-G58 VanDerWaalsContact O-N 3.08Å; L35-A61 HydrophobicContact CD1-CB 3.13Å; L35-V70 HydrophobicContact CB-CG1 3.8Å; L35-V70 HydrophobicContact CD1-CG1 4.08Å; L35-V70 HydrophobicContact CD2-CG1 4.34Å; L35-V70 HydrophobicContact CG-CG1 4.31Å; L35-N71 WeakPolarHBondContact CA-O 3.48Å; L35-Y72 HydrophobicContact CB-CD1 4.23Å; L35-Y72 HydrophobicContact CB-CE1 3.99Å
36V95.1Very high85.1Confident0 Ų069.8 Ų69.80%035%0.346CS..EExtended strand (participates in β ladder)trans-128.5122.1177.6179.50000107.6L55 V57 N71 D84V36-L55 HydrophobicContact CG1-CD1 3.42Å; V36-L55 VanDerWaalsContact CG1-CD1 3.42Å; V36-L55 HydrophobicContact CG1-CG 4.08Å; V36-V57 HydrophobicContact CG1-CG2 4.47Å; V36-V57 HydrophobicContact CG2-CG1 4.46Å; V36-V57 HydrophobicContact CG2-CG2 4.37Å; V36-N71 PolarHBondContact N-O 3.22Å; V36-N71 PolarHBondContact O-N 3.23Å; V36-D84 HydrophobicContact CB-CB 4.39Å; V36-D84 HydrophobicContact CG2-CB 4.12Å
37G93.3Very high84Confident0 Ų067.3 Ų67.30%033%0.334CS..EExtended strand (participates in β ladder)trans-112.9135.8-178.200000112M56 E69G37-M56 PolarHBondContact N-O 2.82Å; G37-M56 PolarHBondContact O-N 3.01Å; G37-E69 WeakPolarHBondContact CA-O 3.3Å
38R92.4Very high83.2Confident81 Ų8164.7 Ų64.731%0.30634%0.343SS..EExtended strand (participates in β ladder)trans-113.8132.1173.4-68.4175.7176.381.42.7109.5I40 L55 L68 E69 N71 D84R38-I40 PolarHBondContact O-N 2.97Å; R38-L55 HydrophobicContact CG-CD1 4.05Å; R38-L68 CarbonylContact O-C 3.55Å; R38-L68 WeakPolarHBondContact O-CA 3.45Å; R38-E69 PolarHBondContact N-O 2.97Å; R38-E69 PolarHBondContact O-N 3.14Å; R38-N71 PolarHBondContact NH1-ND2 3.41Å; R38-D84 IonicContact CZ-OD1 2.82Å; R38-D84 IonicContact NH1-OD1 2.88Å; R38-D84 PolarHBondContact NH1-OD1 3.48Å; R38-D84 IonicContact NH1-OD2 3.48Å; R38-D84 IonicContact NH2-OD1 3.41Å; R38-D84 PolarHBondContact NH2-OD1 2.88Å
39P88.4Confident82.3Confident29 Ų2972.1 Ų72.119%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-60.5130.5-179.2-2332.9000112.9I41 I52 K53 D54 L68P39-I41 VanDerWaalsContact C-N 3.29Å; P39-I52 HydrophobicContact CB-CG2 4.02Å; P39-I52 HydrophobicContact CG-CG2 3.54Å; P39-K53 WeakPolarHBondContact CG-O 3.42Å; P39-D54 WeakPolarHBondContact CD-O 3.41Å; P39-L68 HydrophobicContact CB-CD2 4.2Å; P39-L68 HydrophobicContact CG-CD2 3.93Å
40I84Confident81.4Confident114 Ų11468.2 Ų68.259%0.58536%0.364SS*.SBendtrans-67.8-36.4176.7-59.4169000110.1R38 M67 E69R38-I40 PolarHBondContact O-N 2.97Å; I40-M67 PolarHBondContact N-O 2.86Å; I40-E69 HydrophobicContact CG1-CB 4.38Å
41I79.3Confident80.6Confident122 Ų12271.2 Ų71.263%0.62638%0.378SS*.SBendtrans-116.1125.1178.8-56.3174.3000107.9P39 S43P39-I41 VanDerWaalsContact C-N 3.29Å; I41-S43 PolarHBondContact O-N 3.44Å
42R65.4Low79.7Confident248 Ų24868.7 Ų68.794%0.93637%0.365SS*.  trans-75.574.8172.2-65.6-175.5-177.4179.4-0.2109.8
43S57.4Low79.2Confident61 Ų6172.7 Ų72.743%0.42738%0.383SS..  trans-126.9123.316859.40000108.6I41 A45I41-S43 PolarHBondContact O-N 3.44Å; S43-A45 PolarHBondContact O-N 3.16Å
44T58.9Low78.7Confident138 Ų13879 Ų7985%0.84742%0.415SS*.  trans-68.875169.348.80000108.8
45A63Low78.5Confident38 Ų3881.2 Ų81.231%0.31443%0.427SS..  trans-102.3131.1175.100000108.1S43 I52S43-A45 PolarHBondContact O-N 3.16Å; A45-I52 HydrophobicContact CB-CD1 4.4Å; A45-I52 WeakPolarHBondContact O-CD1 3.45Å; A45-I52 VanDerWaalsContact O-CG1 3.29Å; A45-I52 WeakPolarHBondContact O-CG1 3.44Å
46K67.8Low78.5Confident148 Ų14881.1 Ų81.164%0.64343%0.427SS*.EExtended strand (participates in β ladder)trans-81.7126.6164.7-73.5-172.4174.8-171.40108E51K46-E51 WeakPolarHBondContact CE-OE2 3.43Å; K46-E51 HydrophobicContact CG-CB 4.35Å; K46-E51 HydrophobicContact CG-CG 4.3Å; K46-E51 IonicContact NZ-OE2 3.07Å; K46-E51 PolarHBondContact NZ-OE2 2.78Å
47V65.7Low78.5Confident50 Ų5081.6 Ų81.630%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-113.8106.4174.1179.70000106.8N49 I50 I52 L64 M67V47-N49 PolarHBondContact O-N 2.62Å; V47-I50 PolarHBondContact N-O 2.87Å; V47-I50 VanDerWaalsContact N-O 3.09Å; V47-I50 PolarHBondContact O-N 3.21Å; V47-I52 HydrophobicContact CG2-CD1 3.88Å; V47-L64 HydrophobicContact CB-CD2 3.87Å; V47-L64 HydrophobicContact CG1-CD2 3.75Å; V47-M67 HydrophobicContact CG1-CE 4.14Å; V47-M67 HydrophobicContact CG2-CE 4.03Å; V47-M67 HydrophobicContact CG2-SD 3.84Å
48G74Confident78.5Confident71 Ų7181.6 Ų81.673%0.73243%0.429SS*.THydrogen-bonded Turntrans62-121.3-170.500000111.5
49N74.9Confident78.5Confident174 Ų17480.9 Ų80.993%0.9343%0.432SS*.THydrogen-bonded Turntrans-96-4.1-179.9-69-14.6000113.8V47V47-N49 PolarHBondContact O-N 2.62Å
50I77Confident78.5Confident23 Ų2381.7 Ų81.712%0.11843%0.433CS..EExtended strand (participates in β ladder)trans-100.4127.7-175.4-57.5175.9000109.3V47 M56 E60 E63 L64V47-I50 PolarHBondContact N-O 2.87Å; V47-I50 VanDerWaalsContact N-O 3.09Å; V47-I50 PolarHBondContact O-N 3.21Å; I50-M56 HydrophobicContact CG2-CE 3.4Å; I50-M56 VanDerWaalsContact CG2-CE 3.4Å; I50-E60 HydrophobicContact CD1-CB 4.48Å; I50-E60 HydrophobicContact CG2-CB 4.42Å; I50-E63 HydrophobicContact CD1-CB 4.31Å; I50-E63 HydrophobicContact CD1-CG 4.28Å; I50-E63 VanDerWaalsContact CD1-OE2 3.28Å; I50-E63 WeakPolarHBondContact CD1-OE2 3.39Å; I50-L64 HydrophobicContact CB-CD1 4.13Å; I50-L64 HydrophobicContact CG2-CD1 3.68Å
51E80.8Confident78.8Confident109 Ų10976.2 Ų76.251%0.50941%0.405SS..EExtended strand (participates in β ladder)trans-87.9121.7170.8-170.4163.6170.900108.9K46 K53K46-E51 WeakPolarHBondContact CE-OE2 3.43Å; K46-E51 HydrophobicContact CG-CB 4.35Å; K46-E51 HydrophobicContact CG-CG 4.3Å; K46-E51 IonicContact NZ-OE2 3.07Å; K46-E51 PolarHBondContact NZ-OE2 2.78Å; E51-K53 PolarHBondContact O-N 3.01Å
52I78.5Confident79.2Confident21 Ų2172 Ų7211%0.10839%0.386CS..  trans-69.1106.5-180-62.2175000108.5P39 A45 V47 L64 M67P39-I52 HydrophobicContact CB-CG2 4.02Å; P39-I52 HydrophobicContact CG-CG2 3.54Å; A45-I52 HydrophobicContact CB-CD1 4.4Å; A45-I52 WeakPolarHBondContact O-CD1 3.45Å; A45-I52 VanDerWaalsContact O-CG1 3.29Å; A45-I52 WeakPolarHBondContact O-CG1 3.44Å; V47-I52 HydrophobicContact CG2-CD1 3.88Å; I52-L64 HydrophobicContact CG1-CD1 3.96Å; I52-M67 HydrophobicContact CD1-SD 4.29Å
53K83.7Confident80.2Confident85 Ų8567 Ų6737%0.3737%0.373SS..  trans-82.5165171.2-55.9165.8-170.6150.10109.4P39 E51 L55 M56 E60 E96P39-K53 WeakPolarHBondContact CG-O 3.42Å; E51-K53 PolarHBondContact O-N 3.01Å; K53-L55 PolarHBondContact O-N 3.47Å; K53-L55 VanDerWaalsContact O-N 3.12Å; K53-M56 HydrophobicContact CB-SD 3.68Å; K53-M56 HydrophobicContact CD-SD 4.27Å; K53-M56 HydrophobicContact CG-SD 4.06Å; K53-M56 PolarHBondContact N-SD 3.28Å; K53-E60 IonicContact NZ-OE1 3.69Å; K53-E60 IonicContact NZ-OE2 3.93Å; K53-E60 PolarHBondContact NZ-OE2 2.99Å; K53-E60 VanDerWaalsContact NZ-OE2 3.12Å; K53-E96 IonicContact NZ-OE1 2.73Å; K53-E96 PolarHBondContact NZ-OE1 3.49Å
54D85.6Confident81.6Confident144 Ų14464.5 Ų64.577%0.7736%0.355SS*.SBendtrans-60-21.8173.8-69.3-35.3000113P39P39-D54 WeakPolarHBondContact CD-O 3.41Å
55L90.8Very high82.8Confident47 Ų4760.8 Ų60.825%0.24633%0.326CS..SBendtrans-141.6126.6178.6-169.281.6000109.4V36 R38 K53 V57 H87V36-L55 HydrophobicContact CG1-CD1 3.42Å; V36-L55 VanDerWaalsContact CG1-CD1 3.42Å; V36-L55 HydrophobicContact CG1-CG 4.08Å; R38-L55 HydrophobicContact CG-CD1 4.05Å; K53-L55 PolarHBondContact O-N 3.47Å; K53-L55 VanDerWaalsContact O-N 3.12Å; L55-V57 HydrophobicContact CD2-CG2 4.18Å; L55-V57 HydrophobicContact CG-CG2 4.32Å; L55-H87 HydrophobicContact CD2-CB 3.7Å
56M92.4Very high83.7Confident0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-116.4140.1176.7-55.4-61.3-77.200108.1G37 I50 K53 E60 A61 L64 L68G37-M56 PolarHBondContact N-O 2.82Å; G37-M56 PolarHBondContact O-N 3.01Å; I50-M56 HydrophobicContact CG2-CE 3.4Å; I50-M56 VanDerWaalsContact CG2-CE 3.4Å; K53-M56 HydrophobicContact CB-SD 3.68Å; K53-M56 HydrophobicContact CD-SD 4.27Å; K53-M56 HydrophobicContact CG-SD 4.06Å; K53-M56 PolarHBondContact N-SD 3.28Å; M56-E60 HydrophobicContact CE-CB 3.55Å; M56-E60 HydrophobicContact CE-CG 4.43Å; M56-E60 WeakPolarHBondContact CE-OE2 3.47Å; M56-A61 HydrophobicContact CB-CB 3.65Å; M56-A61 WeakPolarHBondContact O-CB 3.15Å; M56-L64 HydrophobicContact CE-CD1 4.04Å; M56-L68 HydrophobicContact CB-CD1 3.83Å; M56-L68 HydrophobicContact CG-CD1 4.02Å; M56-L68 HydrophobicContact CG-CD2 4.13Å
57V94.9Very high84.5Confident10 Ų1061 Ų616%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-133.4146.3-177.4-175.30000109.9V36 L55 D59 H87 L88 Y91V36-V57 HydrophobicContact CG1-CG2 4.47Å; V36-V57 HydrophobicContact CG2-CG1 4.46Å; V36-V57 HydrophobicContact CG2-CG2 4.37Å; L55-V57 HydrophobicContact CD2-CG2 4.18Å; L55-V57 HydrophobicContact CG-CG2 4.32Å; V57-D59 PolarHBondContact O-N 3.3Å; V57-H87 HydrophobicContact CG2-CB 4.49Å; V57-L88 HydrophobicContact CG1-CD1 3.64Å; V57-Y91 HydrophobicContact CB-CD1 4.39Å; V57-Y91 HydrophobicContact CB-CD2 3.8Å; V57-Y91 HydrophobicContact CB-CE2 4.34Å; V57-Y91 HydrophobicContact CB-CG 3.81Å; V57-Y91 HydrophobicContact CG1-CD1 3.83Å; V57-Y91 HydrophobicContact CG1-CD2 4.12Å; V57-Y91 HydrophobicContact CG1-CG 3.59Å; V57-Y91 WeakPolarHBondContact O-CE2 3.36Å
58G93.8Very high85.5Confident0 Ų059 Ų590%032%0.323CS..THydrogen-bonded Turntrans64.9-128172.200000113.5P33 L35 E60 A61 S62P33-G58 WeakPolarHBondContact O-CA 3.17Å; L35-G58 PolarHBondContact O-N 3.11Å; L35-G58 VanDerWaalsContact O-N 3.08Å; G58-E60 PolarHBondContact O-N 3.16Å; G58-A61 PolarHBondContact O-N 3.35Å; G58-S62 PolarHBondContact O-N 2.98Å
59D91.2Very high86.2Confident67 Ų6761.6 Ų61.636%0.35832%0.316SS..Hα-helixtrans-63.4-43.2-171.7-58.8-45.3000112P33 V57 A61 S62 E63 Y91 K97P33-D59 VanDerWaalsContact CD-OD1 3.29Å; P33-D59 WeakPolarHBondContact CD-OD1 3.32Å; V57-D59 PolarHBondContact O-N 3.3Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.45Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.48Å; D59-S62 VanDerWaalsContact O-N 3.08Å; D59-E63 PolarHBondContact O-N 3.31Å; D59-Y91 PolarHBondContact N-OH 2.91Å; D59-K97 IonicContact OD2-NZ 2.82Å; D59-K97 PolarHBondContact OD2-NZ 2.9Å
60E89.9Confident86.9Confident45 Ų4554.7 Ų54.721%0.2128%0.28CS..Hα-helixtrans-62.1-39.6-179.6-50.9-171.9151.700111.2I50 K53 M56 G58 L64I50-E60 HydrophobicContact CD1-CB 4.48Å; I50-E60 HydrophobicContact CG2-CB 4.42Å; K53-E60 IonicContact NZ-OE1 3.69Å; K53-E60 IonicContact NZ-OE2 3.93Å; K53-E60 PolarHBondContact NZ-OE2 2.99Å; K53-E60 VanDerWaalsContact NZ-OE2 3.12Å; M56-E60 HydrophobicContact CE-CB 3.55Å; M56-E60 HydrophobicContact CE-CG 4.43Å; M56-E60 WeakPolarHBondContact CE-OE2 3.47Å; G58-E60 PolarHBondContact O-N 3.16Å; E60-L64 PolarHBondContact O-N 2.92Å; E60-L64 VanDerWaalsContact O-N 3.16Å
61A90.2Very high87.6Confident0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-75.1-26177.100000113.2L35 M56 G58 D59 R65 L68L35-A61 HydrophobicContact CD1-CB 3.13Å; M56-A61 HydrophobicContact CB-CB 3.65Å; M56-A61 WeakPolarHBondContact O-CB 3.15Å; G58-A61 PolarHBondContact O-N 3.35Å; D59-A61 VanDerWaalsContact C-N 3.29Å; D59-A61 PolarHBondContact O-N 3.45Å; A61-R65 WeakPolarHBondContact O-CA 3.48Å; A61-R65 PolarHBondContact O-N 3.12Å; A61-L68 HydrophobicContact CB-CD1 3.91Å
62S88.1Confident88.2Confident32 Ų3254.1 Ų54.122%0.22428%0.276CS..Hα-helixtrans-73-39.7173.3-166.50000111.5G58 D59 R65G58-S62 PolarHBondContact O-N 2.98Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.48Å; D59-S62 VanDerWaalsContact O-N 3.08Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å
63E86.1Confident88.9Confident144 Ų14453.1 Ų53.167%0.67327%0.271SS*.Hα-helixtrans-67.3-40.4178.5-171.4168174.600111.7I50 D59I50-E63 HydrophobicContact CD1-CB 4.31Å; I50-E63 HydrophobicContact CD1-CG 4.28Å; I50-E63 VanDerWaalsContact CD1-OE2 3.28Å; I50-E63 WeakPolarHBondContact CD1-OE2 3.39Å; D59-E63 PolarHBondContact O-N 3.31Å
64L85.6Confident89.4Confident9 Ų949.2 Ų49.25%0.04725%0.254CS..THydrogen-bonded Turntrans-96.218.8-179.9-60.9177.5000113.8V47 I50 I52 M56 E60 S66 M67 L68V47-L64 HydrophobicContact CB-CD2 3.87Å; V47-L64 HydrophobicContact CG1-CD2 3.75Å; I50-L64 HydrophobicContact CB-CD1 4.13Å; I50-L64 HydrophobicContact CG2-CD1 3.68Å; I52-L64 HydrophobicContact CG1-CD1 3.96Å; M56-L64 HydrophobicContact CE-CD1 4.04Å; E60-L64 PolarHBondContact O-N 2.92Å; E60-L64 VanDerWaalsContact O-N 3.16Å; L64-S66 PolarHBondContact O-N 2.88Å; L64-M67 PolarHBondContact O-N 3.42Å; L64-L68 HydrophobicContact CB-CD1 4Å; L64-L68 HydrophobicContact CB-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.49Å
65R83.8Confident89.6Confident59 Ų5946.8 Ų46.822%0.22324%0.239CC..G310 helixtrans-50.3-35.1-173.8-176.4-178.2-169.796.71.5114.1A61 S62 M67 L68 V70 Y72A61-R65 WeakPolarHBondContact O-CA 3.48Å; A61-R65 PolarHBondContact O-N 3.12Å; S62-R65 WeakPolarHBondContact O-CB 3.42Å; R65-M67 PolarHBondContact O-N 3.3Å; R65-L68 PolarHBondContact O-N 2.92Å; R65-V70 HydrophobicContact CG-CG2 4.03Å; R65-Y72 PolarHBondContact NH1-OH 3.21Å; R65-Y72 PolarHBondContact NH2-OH 3.4Å
66S82.6Confident89.4Confident106 Ų10646.4 Ų46.474%0.74124%0.237SC*.G310 helixtrans-67.9-18.9-179.356.40000114.2L64L64-S66 PolarHBondContact O-N 2.88Å
67M84.2Confident89.1Confident84 Ų8447 Ų4741%0.41424%0.242SC..G310 helixtrans-105.8-3.2-178.4-56.8-176.6-173.700112.8I40 V47 I52 L64 R65I40-M67 PolarHBondContact N-O 2.86Å; V47-M67 HydrophobicContact CG1-CE 4.14Å; V47-M67 HydrophobicContact CG2-CE 4.03Å; V47-M67 HydrophobicContact CG2-SD 3.84Å; I52-M67 HydrophobicContact CD1-SD 4.29Å; L64-M67 PolarHBondContact O-N 3.42Å; R65-M67 PolarHBondContact O-N 3.3Å
68L86.9Confident89Confident9 Ų947.6 Ų47.65%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-118141.2-172.1-57.6175000110.5R38 P39 M56 A61 L64 R65 V70R38-L68 CarbonylContact O-C 3.55Å; R38-L68 WeakPolarHBondContact O-CA 3.45Å; P39-L68 HydrophobicContact CB-CD2 4.2Å; P39-L68 HydrophobicContact CG-CD2 3.93Å; M56-L68 HydrophobicContact CB-CD1 3.83Å; M56-L68 HydrophobicContact CG-CD1 4.02Å; M56-L68 HydrophobicContact CG-CD2 4.13Å; A61-L68 HydrophobicContact CB-CD1 3.91Å; L64-L68 HydrophobicContact CB-CD1 4Å; L64-L68 HydrophobicContact CB-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.49Å; R65-L68 PolarHBondContact O-N 2.92Å; L68-V70 HydrophobicContact CB-CG2 3.92Å; L68-V70 PolarHBondContact O-N 3.32Å
69E89.1Confident88.9Confident126 Ų12648.5 Ų48.559%0.58925%0.251SS*.EExtended strand (participates in β ladder)trans-77.6107.1159.1-171.9175.7-169.700107.9G37 R38 I40G37-E69 WeakPolarHBondContact CA-O 3.3Å; R38-E69 PolarHBondContact N-O 2.97Å; R38-E69 PolarHBondContact O-N 3.14Å; I40-E69 HydrophobicContact CG1-CB 4.38Å
70V89.5Confident89Confident29 Ų2952.6 Ų52.618%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-99124.4-172.21790000111.7L35 R65 L68 Y72L35-V70 HydrophobicContact CB-CG1 3.8Å; L35-V70 HydrophobicContact CD1-CG1 4.08Å; L35-V70 HydrophobicContact CD2-CG1 4.34Å; L35-V70 HydrophobicContact CG-CG1 4.31Å; R65-V70 HydrophobicContact CG-CG2 4.03Å; L68-V70 HydrophobicContact CB-CG2 3.92Å; L68-V70 PolarHBondContact O-N 3.32Å; V70-Y72 HydrophobicContact CG1-CE2 4.3Å
71N92.1Very high89.3Confident57 Ų5753 Ų5331%0.30527%0.265SS..EExtended strand (participates in β ladder)trans-109.5147.5174.5-67.8-18.6000111.3L35 V36 R38 D84L35-N71 WeakPolarHBondContact CA-O 3.48Å; V36-N71 PolarHBondContact N-O 3.22Å; V36-N71 PolarHBondContact O-N 3.23Å; R38-N71 PolarHBondContact NH1-ND2 3.41Å; N71-D84 WeakPolarHBondContact CB-OD2 3.2Å; N71-D84 PolarHBondContact ND2-OD2 3.29Å
72Y92.6Very high89.6Confident62 Ų6255.7 Ų55.724%0.24328%0.275CS..  trans-108.8115.2170-66.6-92.1000108.1A34 L35 R65 V70 M74A34-Y72 WeakPolarHBondContact O-CD1 3.36Å; L35-Y72 HydrophobicContact CB-CD1 4.23Å; L35-Y72 HydrophobicContact CB-CE1 3.99Å; R65-Y72 PolarHBondContact NH1-OH 3.21Å; R65-Y72 PolarHBondContact NH2-OH 3.4Å; V70-Y72 HydrophobicContact CG1-CE2 4.3Å; Y72-M74 PolarHBondContact O-N 2.56Å
73P94.2Very high89.9Confident0 Ų058.6 Ų58.60%029%0.288CS..SBendtrans-67-21.1-179.124.7-32.1000112.7A34 R80 N81 D84 M85 L88A34-P73 WeakPolarHBondContact O-CD 3.5Å; P73-R80 PolarHBondContact O-N 2.69Å; P73-N81 PolarHBondContact O-N 2.66Å; P73-D84 HydrophobicContact CB-CB 3.82Å; P73-D84 HydrophobicContact CG-CB 4.5Å; P73-M85 HydrophobicContact CB-CB 4.11Å; P73-M85 HydrophobicContact CB-SD 4.13Å; P73-M85 HydrophobicContact CG-SD 4.11Å; P73-L88 HydrophobicContact CG-CD2 3.88Å
74M92.8Very high90.4Very high3 Ų351.8 Ų51.82%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-113.1137.5179.9-67.1-179.8-74.500111.3N13 G14 A34 Y72 I78 V79 M85 L88N13-M74 HydrophobicContact CB-CE 4.19Å; N13-M74 HydrophobicContact CB-SD 3.83Å; N13-M74 VanDerWaalsContact O-SD 3.38Å; G14-M74 WeakPolarHBondContact O-CE 3.42Å; A34-M74 HydrophobicContact CB-CE 3.66Å; Y72-M74 PolarHBondContact O-N 2.56Å; M74-I78 WeakPolarHBondContact CA-O 3.21Å; M74-V79 HydrophobicContact CG-CG2 4.06Å; M74-M85 HydrophobicContact CE-CE 4.36Å; M74-M85 HydrophobicContact CE-SD 4.39Å; M74-M85 HydrophobicContact CG-SD 4.06Å; M74-M85 HydrophobicContact SD-CE 4.27Å; M74-M85 HydrophobicContact SD-SD 4.26Å; M74-L88 HydrophobicContact CE-CD2 4.2Å
75E90.1Very high90.9Very high94 Ų9451.3 Ų51.344%0.43925%0.254SS..EExtended strand (participates in β ladder)trans-130.3123.8174-173.1-173.1-156.700108.6G77 I78 R80E75-G77 PolarHBondContact O-N 2.99Å; E75-G77 VanDerWaalsContact O-N 3.16Å; E75-I78 PolarHBondContact N-O 3.12Å; E75-I78 PolarHBondContact O-N 3.48Å; E75-R80 HydrophobicContact CB-CG 3.75Å; E75-R80 IonicContact OE2-CZ 2.93Å; E75-R80 IonicContact OE2-NE 3.85Å; E75-R80 PolarHBondContact OE2-NE 2.91Å; E75-R80 VanDerWaalsContact OE2-NE 3.16Å; E75-R80 IonicContact OE2-NH2 3.02Å
76N88.1Confident91.5Very high38 Ų3851.8 Ų51.820%0.20326%0.258CS..THydrogen-bonded Turntrans49.342.3179.9-54.1-10.9000113.3I78 G162 V163 R181N76-I78 VanDerWaalsContact C-N 3.3Å; N76-I78 PolarHBondContact O-N 3.44Å; N76-G162 PolarHBondContact OD1-O 3.37Å; N76-G162 VanDerWaalsContact OD1-O 3.05Å; N76-V163 HydrophobicContact CB-CB 4.23Å; N76-R181 PolarHBondContact ND2-NH2 3.27Å; N76-R181 VanDerWaalsContact ND2-NH2 3.16Å
77G86.3Confident92.2Very high12 Ų1249.8 Ų49.812%0.12424%0.236CC..THydrogen-bonded Turntrans85.2-11.1179.900000115T15 E75 P112T15-G77 WeakPolarHBondContact OG1-CA 3.27Å; T15-G77 PolarHBondContact OG1-N 3.19Å; E75-G77 PolarHBondContact O-N 2.99Å; E75-G77 VanDerWaalsContact O-N 3.16Å; G77-P112 WeakPolarHBondContact O-CG 3.49Å
78I90.9Very high92.8Very high24 Ų2445.8 Ų45.812%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-104133.2-173.2-60.5178.5000110.1M74 E75 N76 R80 N119M74-I78 WeakPolarHBondContact CA-O 3.21Å; E75-I78 PolarHBondContact N-O 3.12Å; E75-I78 PolarHBondContact O-N 3.48Å; N76-I78 VanDerWaalsContact C-N 3.3Å; N76-I78 PolarHBondContact O-N 3.44Å; I78-R80 PolarHBondContact O-N 3.24Å; I78-N119 VanDerWaalsContact CG2-ND2 3.32Å; I78-N119 WeakPolarHBondContact CG2-ND2 3.43Å
79V93.6Very high93.3Very high18 Ų1845.4 Ų45.411%0.10921%0.214CC..EExtended strand (participates in β ladder)trans-67.8123.4173.3-176.40000109.5M74 W82 M85M74-V79 HydrophobicContact CG-CG2 4.06Å; V79-W82 HydrophobicContact CB-CH2 4.15Å; V79-W82 HydrophobicContact CB-CZ2 4.1Å; V79-W82 HydrophobicContact CB-CZ3 4.45Å; V79-W82 HydrophobicContact CG1-CD2 3.83Å; V79-W82 HydrophobicContact CG1-CE3 3.94Å; V79-W82 HydrophobicContact CG1-CG 4.33Å; V79-W82 HydrophobicContact CG1-CH2 4.27Å; V79-W82 HydrophobicContact CG1-CZ2 4.18Å; V79-W82 HydrophobicContact CG1-CZ3 4.17Å; V79-W82 HydrophobicContact CG2-CH2 4.39Å; V79-M85 HydrophobicContact CG1-CB 3.88Å; V79-M85 HydrophobicContact CG1-CG 4.03Å; V79-M85 HydrophobicContact CG2-CG 4.24Å; V79-M85 HydrophobicContact CG2-SD 4.16Å
80R93.3Very high93.7Very high153 Ų15343.1 Ų43.158%0.57721%0.207SC*.  trans-105.2-38.3176.9-64.2-58.9-163.8-169.8-0.9112.4P73 E75 I78P73-R80 PolarHBondContact O-N 2.69Å; E75-R80 HydrophobicContact CB-CG 3.75Å; E75-R80 IonicContact OE2-CZ 2.93Å; E75-R80 IonicContact OE2-NE 3.85Å; E75-R80 PolarHBondContact OE2-NE 2.91Å; E75-R80 VanDerWaalsContact OE2-NE 3.16Å; E75-R80 IonicContact OE2-NH2 3.02Å; I78-R80 PolarHBondContact O-N 3.24Å
81N95.6Very high94Very high55 Ų5542.7 Ų42.729%0.29420%0.202SC..  trans-118.6106.2179-173.3-12.9000110.3P73 D83 D84 M85P73-N81 PolarHBondContact O-N 2.66Å; N81-D83 PolarHBondContact OD1-N 3.21Å; N81-D84 HydrophobicContact CB-CB 4.16Å; N81-D84 PolarHBondContact ND2-OD2 3.42Å; N81-D84 PolarHBondContact OD1-N 2.86Å; N81-M85 WeakPolarHBondContact O-CB 3.2Å; N81-M85 PolarHBondContact O-N 2.91Å
82W95.2Very high94.2Very high56 Ų5640 Ų4021%0.21219%0.187CC..Hα-helixtrans-72.8-26-179.3-68.598.6000113.5V79 M85 K86 W89 N119 K122 I123V79-W82 HydrophobicContact CB-CH2 4.15Å; V79-W82 HydrophobicContact CB-CZ2 4.1Å; V79-W82 HydrophobicContact CB-CZ3 4.45Å; V79-W82 HydrophobicContact CG1-CD2 3.83Å; V79-W82 HydrophobicContact CG1-CE3 3.94Å; V79-W82 HydrophobicContact CG1-CG 4.33Å; V79-W82 HydrophobicContact CG1-CH2 4.27Å; V79-W82 HydrophobicContact CG1-CZ2 4.18Å; V79-W82 HydrophobicContact CG1-CZ3 4.17Å; V79-W82 HydrophobicContact CG2-CH2 4.39Å; W82-M85 PolarHBondContact O-N 3.25Å; W82-K86 WeakPolarHBondContact O-CE 3.46Å; W82-K86 WeakPolarHBondContact O-CG 3.4Å; W82-K86 PolarHBondContact O-N 3.38Å; W82-W89 HydrophobicContact CZ3-CH2 4.1Å; W82-W89 HydrophobicContact CZ3-CZ3 4.48Å; W82-N119 HydrophobicContact CH2-CB 4.33Å; W82-N119 WeakPolarHBondContact CH2-O 3.4Å; W82-N119 HydrophobicContact CZ2-CB 4.09Å; W82-K122 HydrophobicContact CD2-CG 3.66Å; W82-K122 HydrophobicContact CE3-CB 4.48Å; W82-K122 HydrophobicContact CE3-CG 3.71Å; W82-K122 HydrophobicContact CG-CG 4.38Å; W82-K122 HydrophobicContact CH2-CB 3.69Å; W82-K122 HydrophobicContact CH2-CG 3.82Å; W82-K122 HydrophobicContact CZ2-CB 3.72Å; W82-K122 HydrophobicContact CZ2-CG 3.77Å; W82-K122 HydrophobicContact CZ3-CB 4.07Å; W82-K122 HydrophobicContact CZ3-CG 3.77Å; W82-I123 HydrophobicContact CH2-CG1 3.83Å; W82-I123 HydrophobicContact CZ3-CG1 3.92Å
83D95.9Very high94.4Very high92 Ų9237.5 Ų37.549%0.49218%0.178SC..Hα-helixtrans-72.3-46.3177.3-67.9-40.7000110.7N81 M85 K86 H87N81-D83 PolarHBondContact OD1-N 3.21Å; D83-M85 VanDerWaalsContact C-N 3.28Å; D83-M85 PolarHBondContact O-N 2.82Å; D83-K86 PolarHBondContact O-N 3.28Å; D83-K86 VanDerWaalsContact OD1-CE 3.23Å; D83-K86 WeakPolarHBondContact OD1-CE 3.27Å; D83-K86 IonicContact OD1-NZ 2.74Å; D83-K86 PolarHBondContact OD1-NZ 3.03Å; D83-H87 PolarHBondContact O-CD2 3.27Å; D83-H87 VanDerWaalsContact O-CD2 3.25Å; D83-H87 PolarHBondContact O-N 3.25Å
84D96.4Very high94.5Very high1 Ų138.3 Ų38.31%0.00519%0.186CC..Hα-helixtrans-64.3-34.3172.4-73.9-17.2000111.6V36 R38 N71 P73 N81 H87 L88V36-D84 HydrophobicContact CB-CB 4.39Å; V36-D84 HydrophobicContact CG2-CB 4.12Å; R38-D84 IonicContact CZ-OD1 2.82Å; R38-D84 IonicContact NH1-OD1 2.88Å; R38-D84 PolarHBondContact NH1-OD1 3.48Å; R38-D84 IonicContact NH1-OD2 3.48Å; R38-D84 IonicContact NH2-OD1 3.41Å; R38-D84 PolarHBondContact NH2-OD1 2.88Å; N71-D84 WeakPolarHBondContact CB-OD2 3.2Å; N71-D84 PolarHBondContact ND2-OD2 3.29Å; P73-D84 HydrophobicContact CB-CB 3.82Å; P73-D84 HydrophobicContact CG-CB 4.5Å; N81-D84 HydrophobicContact CB-CB 4.16Å; N81-D84 PolarHBondContact ND2-OD2 3.42Å; N81-D84 PolarHBondContact OD1-N 2.86Å; D84-H87 PolarHBondContact O-N 3.1Å; D84-L88 PolarHBondContact O-N 3.01Å
85M96.6Very high94.5Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-66.1-38.2175.9-165.268.2-159.300112.4N13 P73 M74 V79 N81 W82 D83 L88 W89N13-M85 HydrophobicContact CB-CE 4.05Å; P73-M85 HydrophobicContact CB-CB 4.11Å; P73-M85 HydrophobicContact CB-SD 4.13Å; P73-M85 HydrophobicContact CG-SD 4.11Å; M74-M85 HydrophobicContact CE-CE 4.36Å; M74-M85 HydrophobicContact CE-SD 4.39Å; M74-M85 HydrophobicContact CG-SD 4.06Å; M74-M85 HydrophobicContact SD-CE 4.27Å; M74-M85 HydrophobicContact SD-SD 4.26Å; V79-M85 HydrophobicContact CG1-CB 3.88Å; V79-M85 HydrophobicContact CG1-CG 4.03Å; V79-M85 HydrophobicContact CG2-CG 4.24Å; V79-M85 HydrophobicContact CG2-SD 4.16Å; N81-M85 WeakPolarHBondContact O-CB 3.2Å; N81-M85 PolarHBondContact O-N 2.91Å; W82-M85 PolarHBondContact O-N 3.25Å; D83-M85 VanDerWaalsContact C-N 3.28Å; D83-M85 PolarHBondContact O-N 2.82Å; M85-L88 HydrophobicContact CE-CD2 4.16Å; M85-L88 WeakPolarHBondContact O-CB 3.49Å; M85-L88 PolarHBondContact O-N 3.26Å; M85-L88 HydrophobicContact SD-CD2 4.06Å; M85-W89 HydrophobicContact CE-CD2 4.14Å; M85-W89 HydrophobicContact CE-CH2 4.37Å; M85-W89 HydrophobicContact CE-CZ2 3.52Å; M85-W89 VanDerWaalsContact CE-NE1 3.33Å; M85-W89 HydrophobicContact CG-CD2 4.14Å; M85-W89 HydrophobicContact CG-CE3 4.02Å; M85-W89 HydrophobicContact CG-CH2 3.73Å; M85-W89 HydrophobicContact CG-CZ2 3.84Å; M85-W89 HydrophobicContact CG-CZ3 3.81Å; M85-W89 PolarHBondContact O-N 3.05Å
86K96.6Very high94.7Very high69 Ų6943.1 Ų43.130%0.322%0.218SC..Hα-helixtrans-60.9-47.6173.7-78.6178-64.6178.80110.8W82 D83 L88 W89 D90 V126 Y131W82-K86 WeakPolarHBondContact O-CE 3.46Å; W82-K86 WeakPolarHBondContact O-CG 3.4Å; W82-K86 PolarHBondContact O-N 3.38Å; D83-K86 PolarHBondContact O-N 3.28Å; D83-K86 VanDerWaalsContact OD1-CE 3.23Å; D83-K86 WeakPolarHBondContact OD1-CE 3.27Å; D83-K86 IonicContact OD1-NZ 2.74Å; D83-K86 PolarHBondContact OD1-NZ 3.03Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.46Å; K86-W89 CarbonylContact O-C 3.5Å; K86-W89 WeakPolarHBondContact O-CA 3.46Å; K86-W89 PolarHBondContact O-N 3.17Å; K86-D90 PolarHBondContact O-N 3.07Å; K86-V126 HydrophobicContact CG-CG1 4.3Å; K86-Y131 PolarHBondContact O-OH 3.21Å
87H96.5Very high95Very high64 Ų6443 Ų4330%0.29622%0.216SC..Hα-helixtrans-59.6-36.7176.2-68-46.7000113.3L55 V57 D83 D84 D90 Y91L55-H87 HydrophobicContact CD2-CB 3.7Å; V57-H87 HydrophobicContact CG2-CB 4.49Å; D83-H87 PolarHBondContact O-CD2 3.27Å; D83-H87 VanDerWaalsContact O-CD2 3.25Å; D83-H87 PolarHBondContact O-N 3.25Å; D84-H87 PolarHBondContact O-N 3.1Å; H87-D90 IonicContact ND1-OD2 2.61Å; H87-D90 PolarHBondContact O-N 3.02Å; H87-Y91 WeakPolarHBondContact O-CB 3.38Å; H87-Y91 PolarHBondContact O-N 3.45Å
88L96.9Very high95.4Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-64.1-40.2174.1-171.663.9000111.9V18 F32 A34 V57 P73 M74 D84 M85 K86 T92V18-L88 HydrophobicContact CG2-CD1 4.21Å; V18-L88 HydrophobicContact CG2-CD2 3.76Å; V18-L88 HydrophobicContact CG2-CG 4.09Å; F32-L88 HydrophobicContact CE2-CD1 3.83Å; A34-L88 HydrophobicContact CB-CD2 3.98Å; V57-L88 HydrophobicContact CG1-CD1 3.64Å; P73-L88 HydrophobicContact CG-CD2 3.88Å; M74-L88 HydrophobicContact CE-CD2 4.2Å; D84-L88 PolarHBondContact O-N 3.01Å; M85-L88 HydrophobicContact CE-CD2 4.16Å; M85-L88 WeakPolarHBondContact O-CB 3.49Å; M85-L88 PolarHBondContact O-N 3.26Å; M85-L88 HydrophobicContact SD-CD2 4.06Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.46Å; L88-T92 PolarHBondContact O-N 3.01Å; L88-T92 PolarHBondContact O-OG1 2.99Å
89W97.3Very high95.7Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-71-38.5175-75.5-35.5000113.3N13 W82 M85 K86 Y91 T92 F93 I123 V126 M127 Y131N13-W89 PolarHBondContact OD1-NE1 3.41Å; W82-W89 HydrophobicContact CZ3-CH2 4.1Å; W82-W89 HydrophobicContact CZ3-CZ3 4.48Å; M85-W89 HydrophobicContact CE-CD2 4.14Å; M85-W89 HydrophobicContact CE-CH2 4.37Å; M85-W89 HydrophobicContact CE-CZ2 3.52Å; M85-W89 VanDerWaalsContact CE-NE1 3.33Å; M85-W89 HydrophobicContact CG-CD2 4.14Å; M85-W89 HydrophobicContact CG-CE3 4.02Å; M85-W89 HydrophobicContact CG-CH2 3.73Å; M85-W89 HydrophobicContact CG-CZ2 3.84Å; M85-W89 HydrophobicContact CG-CZ3 3.81Å; M85-W89 PolarHBondContact O-N 3.05Å; K86-W89 CarbonylContact O-C 3.5Å; K86-W89 WeakPolarHBondContact O-CA 3.46Å; K86-W89 PolarHBondContact O-N 3.17Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 3.28Å; W89-T92 WeakPolarHBondContact O-CA 3.3Å; W89-T92 WeakPolarHBondContact O-CB 3.22Å; W89-T92 PolarHBondContact O-N 2.78Å; W89-F93 HydrophobicContact CB-CD2 4.23Å; W89-F93 HydrophobicContact CB-CE2 3.82Å; W89-F93 HydrophobicContact CG-CE2 4.11Å; W89-F93 HydrophobicContact CG-CZ 4.46Å; W89-F93 VanDerWaalsContact O-CD2 3.27Å; W89-F93 WeakPolarHBondContact O-CD2 3.2Å; W89-F93 WeakPolarHBondContact O-CG 3.22Å; W89-F93 PolarHBondContact O-N 3.28Å; W89-I123 HydrophobicContact CH2-CG1 4.24Å; W89-V126 HydrophobicContact CE3-CG1 3.92Å; W89-V126 HydrophobicContact CZ3-CB 4.23Å; W89-V126 HydrophobicContact CZ3-CG1 3.69Å; W89-M127 HydrophobicContact CD2-CE 3.49Å; W89-M127 VanDerWaalsContact CD2-CE 3.49Å; W89-M127 HydrophobicContact CE3-CE 3.76Å; W89-M127 HydrophobicContact CG-CE 4.11Å; W89-M127 HydrophobicContact CH2-CE 3.76Å; W89-M127 HydrophobicContact CZ2-CE 3.49Å; W89-M127 VanDerWaalsContact CZ2-CE 3.49Å; W89-M127 HydrophobicContact CZ3-CE 3.89Å; W89-Y131 HydrophobicContact CB-CE1 4.49Å; W89-Y131 HydrophobicContact CB-CE2 3.99Å; W89-Y131 WeakPolarHBondContact CB-OH 3.38Å; W89-Y131 HydrophobicContact CE3-CE2 4.08Å
90D96.7Very high95.7Very high79 Ų7947.2 Ų47.242%0.42224%0.235SC..Hα-helixtrans-56.8-44.9172.4-70-38.7000110.6K86 H87 T92 G94 Y131K86-D90 PolarHBondContact O-N 3.07Å; H87-D90 IonicContact ND1-OD2 2.61Å; H87-D90 PolarHBondContact O-N 3.02Å; D90-T92 VanDerWaalsContact C-N 3.34Å; D90-G94 VanDerWaalsContact O-CA 3.23Å; D90-G94 WeakPolarHBondContact O-CA 3.4Å; D90-G94 PolarHBondContact O-N 2.81Å; D90-Y131 PolarHBondContact N-OH 2.71Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.47Å; D90-Y131 PolarHBondContact OD1-OH 3.03Å; D90-Y131 VanDerWaalsContact OD1-OH 3.05Å
91Y96.4Very high95.8Very high20 Ų2042.9 Ų42.98%0.07822%0.223CC..Hα-helixtrans-63.8-38.7173.6180-99.8000112.6F32 V57 D59 H87 W89 E96 K97F32-Y91 HydrophobicContact CD1-CE1 4.28Å; F32-Y91 AromaticContact CD2-CD1 3.97Å; F32-Y91 HydrophobicContact CD2-CD1 3.97Å; F32-Y91 AromaticContact CD2-CE1 3.58Å; F32-Y91 HydrophobicContact CD2-CE1 3.58Å; F32-Y91 HydrophobicContact CE1-CE1 4.37Å; F32-Y91 AromaticContact CE2-CD1 3.56Å; F32-Y91 HydrophobicContact CE2-CD1 3.56Å; F32-Y91 AromaticContact CE2-CE1 3.68Å; F32-Y91 HydrophobicContact CE2-CE1 3.68Å; F32-Y91 AromaticContact CG-CE1 3.9Å; F32-Y91 HydrophobicContact CG-CE1 3.9Å; F32-Y91 AromaticContact CZ-CD1 3.86Å; F32-Y91 HydrophobicContact CZ-CD1 3.86Å; F32-Y91 HydrophobicContact CZ-CE1 4.07Å; V57-Y91 HydrophobicContact CB-CD1 4.39Å; V57-Y91 HydrophobicContact CB-CD2 3.8Å; V57-Y91 HydrophobicContact CB-CE2 4.34Å; V57-Y91 HydrophobicContact CB-CG 3.81Å; V57-Y91 HydrophobicContact CG1-CD1 3.83Å; V57-Y91 HydrophobicContact CG1-CD2 4.12Å; V57-Y91 HydrophobicContact CG1-CG 3.59Å; V57-Y91 WeakPolarHBondContact O-CE2 3.36Å; D59-Y91 PolarHBondContact N-OH 2.91Å; H87-Y91 WeakPolarHBondContact O-CB 3.38Å; H87-Y91 PolarHBondContact O-N 3.45Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 3.28Å; Y91-E96 WeakPolarHBondContact CD2-OE2 3.17Å; Y91-E96 HydrophobicContact CE2-CB 4.29Å; Y91-E96 WeakPolarHBondContact CE2-OE2 3.34Å; Y91-K97 HydrophobicContact CD1-CG 4.02Å; Y91-K97 HydrophobicContact CE1-CD 4.11Å; Y91-K97 HydrophobicContact CE1-CG 3.78Å; Y91-K97 WeakPolarHBondContact O-CB 3.3Å; Y91-K97 WeakPolarHBondContact O-CG 3.41Å; Y91-K97 WeakPolarHBondContact OH-CE 3.23Å; Y91-K97 PolarHBondContact OH-NZ 2.69Å
92T96.8Very high95.7Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-66.2-46.4-179.9-53.30000112.2V18 C20 F32 L88 W89 D90 K97 L98V18-T92 HydrophobicContact CG1-CG2 4.48Å; C20-T92 HydrophobicContact CB-CG2 3.95Å; F32-T92 HydrophobicContact CZ-CG2 4.26Å; F32-T92 WeakPolarHBondContact CZ-OG1 3.43Å; L88-T92 PolarHBondContact O-N 3.01Å; L88-T92 PolarHBondContact O-OG1 2.99Å; W89-T92 WeakPolarHBondContact O-CA 3.3Å; W89-T92 WeakPolarHBondContact O-CB 3.22Å; W89-T92 PolarHBondContact O-N 2.78Å; D90-T92 VanDerWaalsContact C-N 3.34Å; T92-K97 WeakPolarHBondContact O-CB 3.36Å; T92-L98 HydrophobicContact CG2-CD1 4.26Å; T92-L98 WeakPolarHBondContact O-CB 3.46Å; T92-L98 WeakPolarHBondContact O-CG 3.44Å; T92-L98 PolarHBondContact O-N 2.73Å
93F96.9Very high95.7Very high9 Ų945.1 Ų45.14%0.03923%0.23CC..Hα-helixtrans-90-21.6-175.5-53.6-40.2000113W89 L98 N99 I100 I107 M127 Y131 F133W89-F93 HydrophobicContact CB-CD2 4.23Å; W89-F93 HydrophobicContact CB-CE2 3.82Å; W89-F93 HydrophobicContact CG-CE2 4.11Å; W89-F93 HydrophobicContact CG-CZ 4.46Å; W89-F93 VanDerWaalsContact O-CD2 3.27Å; W89-F93 WeakPolarHBondContact O-CD2 3.2Å; W89-F93 WeakPolarHBondContact O-CG 3.22Å; W89-F93 PolarHBondContact O-N 3.28Å; F93-L98 HydrophobicContact CD1-CD1 4.21Å; F93-N99 PolarHBondContact O-N 3.07Å; F93-I100 HydrophobicContact CB-CD1 4.38Å; F93-I100 HydrophobicContact CB-CG1 4.1Å; F93-I100 HydrophobicContact CD1-CD1 4Å; F93-I100 HydrophobicContact CG-CD1 4.48Å; F93-I100 PolarHBondContact O-N 2.96Å; F93-I100 VanDerWaalsContact O-N 3.07Å; F93-I107 HydrophobicContact CE1-CD1 3.52Å; F93-I107 HydrophobicContact CE2-CD1 4.42Å; F93-I107 HydrophobicContact CZ-CD1 3.32Å; F93-M127 HydrophobicContact CE2-SD 4.45Å; F93-Y131 AromaticContact CD2-CD1 3.86Å; F93-Y131 HydrophobicContact CD2-CD1 3.86Å; F93-Y131 AromaticContact CD2-CE1 3.85Å; F93-Y131 HydrophobicContact CD2-CE1 3.85Å; F93-Y131 HydrophobicContact CD2-CG 4.36Å; F93-Y131 HydrophobicContact CE2-CD1 4.28Å; F93-Y131 HydrophobicContact CE2-CD2 4.49Å; F93-Y131 HydrophobicContact CE2-CE1 4.33Å; F93-Y131 HydrophobicContact CE2-CG 4.36Å; F93-F133 HydrophobicContact CD1-CZ 4.25Å; F93-F133 HydrophobicContact CD2-CE2 4.23Å; F93-F133 HydrophobicContact CD2-CZ 4.07Å; F93-F133 HydrophobicContact CE1-CZ 4.06Å; F93-F133 AromaticContact CE2-CE2 3.78Å; F93-F133 HydrophobicContact CE2-CE2 3.78Å; F93-F133 AromaticContact CE2-CZ 3.85Å; F93-F133 HydrophobicContact CE2-CZ 3.85Å; F93-F133 HydrophobicContact CG-CZ 4.27Å; F93-F133 HydrophobicContact CZ-CE2 4.06Å; F93-F133 AromaticContact CZ-CZ 3.86Å; F93-F133 HydrophobicContact CZ-CZ 3.86Å
94G95.6Very high95.6Very high18 Ų1845.6 Ų45.619%0.18623%0.233CC..SBendtrans-71.2-176.9-17800000114.6D90 E96 K97 N99D90-G94 VanDerWaalsContact O-CA 3.23Å; D90-G94 WeakPolarHBondContact O-CA 3.4Å; D90-G94 PolarHBondContact O-N 2.81Å; G94-E96 VanDerWaalsContact C-N 3.26Å; G94-E96 PolarHBondContact O-N 2.94Å; G94-K97 PolarHBondContact O-N 2.95Å; G94-N99 WeakPolarHBondContact O-CA 3.23Å; G94-N99 PolarHBondContact O-N 2.81Å
95P93.9Very high95.5Very high107 Ų10745.8 Ų45.870%0.69523%0.234SC*.THydrogen-bonded Turntrans-63.1-27.3-169.3-24.535000115K97P95-K97 VanDerWaalsContact C-N 3.32Å; P95-K97 PolarHBondContact O-N 3.16Å
96E92.5Very high95.5Very high91 Ų9146.1 Ų46.143%0.42524%0.236SC..THydrogen-bonded Turntrans-74.8-21.9-174.6-64.9180-170.300113K53 Y91 G94K53-E96 IonicContact NZ-OE1 2.73Å; K53-E96 PolarHBondContact NZ-OE1 3.49Å; Y91-E96 WeakPolarHBondContact CD2-OE2 3.17Å; Y91-E96 HydrophobicContact CE2-CB 4.29Å; Y91-E96 WeakPolarHBondContact CE2-OE2 3.34Å; G94-E96 VanDerWaalsContact C-N 3.26Å; G94-E96 PolarHBondContact O-N 2.94Å
97K95.1Very high95.6Very high35 Ų3542.8 Ų42.815%0.15222%0.221CC..THydrogen-bonded Turntrans-120.2-100.8177.5-60.8-59.5178.7-163.70110.9H30 F32 D59 Y91 T92 G94 P95 N99H30-K97 HydrophobicContact CB-CD 4.18Å; H30-K97 PolarHBondContact NE2-O 3.36Å; F32-K97 HydrophobicContact CD1-CD 4.05Å; F32-K97 HydrophobicContact CD1-CG 4.35Å; F32-K97 HydrophobicContact CE1-CD 4.22Å; F32-K97 HydrophobicContact CE1-CG 4.03Å; D59-K97 IonicContact OD2-NZ 2.82Å; D59-K97 PolarHBondContact OD2-NZ 2.9Å; Y91-K97 HydrophobicContact CD1-CG 4.02Å; Y91-K97 HydrophobicContact CE1-CD 4.11Å; Y91-K97 HydrophobicContact CE1-CG 3.78Å; Y91-K97 WeakPolarHBondContact O-CB 3.3Å; Y91-K97 WeakPolarHBondContact O-CG 3.41Å; Y91-K97 WeakPolarHBondContact OH-CE 3.23Å; Y91-K97 PolarHBondContact OH-NZ 2.69Å; T92-K97 WeakPolarHBondContact O-CB 3.36Å; G94-K97 PolarHBondContact O-N 2.95Å; P95-K97 VanDerWaalsContact C-N 3.32Å; P95-K97 PolarHBondContact O-N 3.16Å; K97-N99 PolarHBondContact O-N 3.28Å
98L94.9Very high95.6Very high8 Ų839.8 Ų39.84%0.04221%0.207CC..THydrogen-bonded Turntrans-75.2-24.2-170.1-67.4174.1000113.9V9 C20 Y22 T92 F93 I100V9-L98 HydrophobicContact CG1-CD1 3.7Å; C20-L98 HydrophobicContact CB-CD1 4.13Å; Y22-L98 HydrophobicContact CE2-CD2 4.3Å; Y22-L98 PolarHBondContact OH-O 3.28Å; T92-L98 HydrophobicContact CG2-CD1 4.26Å; T92-L98 WeakPolarHBondContact O-CB 3.46Å; T92-L98 WeakPolarHBondContact O-CG 3.44Å; T92-L98 PolarHBondContact O-N 2.73Å; F93-L98 HydrophobicContact CD1-CD1 4.21Å; L98-I100 HydrophobicContact CB-CD1 4.38Å; L98-I100 HydrophobicContact CB-CG1 4.22Å; L98-I100 HydrophobicContact CB-CG2 4.15Å; L98-I100 HydrophobicContact CD1-CD1 4.35Å; L98-I100 WeakPolarHBondContact O-CG2 3.42Å; L98-I100 PolarHBondContact O-N 3.48Å
99N96.3Very high95.6Very high111 Ų11139.9 Ų39.959%0.59421%0.208SC*.  trans47.960.9-178.3-169.625.9000112.8F93 G94 K97F93-N99 PolarHBondContact O-N 3.07Å; G94-N99 WeakPolarHBondContact O-CA 3.23Å; G94-N99 PolarHBondContact O-N 2.81Å; K97-N99 PolarHBondContact O-N 3.28Å
100I94.5Very high95.5Very high24 Ų2440.1 Ų40.112%0.12321%0.209CC..  trans-119.9148.2-175.857.8173.8000112.4K7 V9 Y22 F93 L98 S102K7-I100 HydrophobicContact CD-CG2 4.43Å; V9-I100 HydrophobicContact CG2-CD1 3.61Å; Y22-I100 HydrophobicContact CE1-CG2 4.36Å; Y22-I100 WeakPolarHBondContact OH-CG2 3.37Å; F93-I100 HydrophobicContact CB-CD1 4.38Å; F93-I100 HydrophobicContact CB-CG1 4.1Å; F93-I100 HydrophobicContact CD1-CD1 4Å; F93-I100 HydrophobicContact CG-CD1 4.48Å; F93-I100 PolarHBondContact O-N 2.96Å; F93-I100 VanDerWaalsContact O-N 3.07Å; L98-I100 HydrophobicContact CB-CD1 4.38Å; L98-I100 HydrophobicContact CB-CG1 4.22Å; L98-I100 HydrophobicContact CB-CG2 4.15Å; L98-I100 HydrophobicContact CD1-CD1 4.35Å; L98-I100 WeakPolarHBondContact O-CG2 3.42Å; L98-I100 PolarHBondContact O-N 3.48Å; I100-S102 PolarHBondContact O-N 3.23Å
101D94.9Very high95.2Very high62 Ų6236.6 Ų36.633%0.33219%0.19SC..  trans-84.2104.2160.4-171.3-10.3000108.4R103 N104 C105D101-R103 PolarHBondContact O-N 3.3Å; D101-R103 VanDerWaalsContact O-N 3.17Å; D101-R103 WeakPolarHBondContact OD1-CB 3.45Å; D101-R103 IonicContact OD1-CZ 2.86Å; D101-R103 PolarHBondContact OD1-N 2.64Å; D101-R103 IonicContact OD1-NE 3.56Å; D101-R103 PolarHBondContact OD1-NE 2.9Å; D101-R103 IonicContact OD1-NH2 3.08Å; D101-R103 PolarHBondContact OD1-NH2 3.32Å; D101-R103 IonicContact OD2-CZ 2.87Å; D101-R103 IonicContact OD2-NE 2.63Å; D101-R103 PolarHBondContact OD2-NE 3.04Å; D101-R103 IonicContact OD2-NH2 3.59Å; D101-R103 PolarHBondContact OD2-NH2 3.17Å; D101-N104 PolarHBondContact O-N 2.9Å; D101-N104 VanDerWaalsContact O-N 3.1Å; D101-C105 PolarHBondContact O-SG 2.82Å
102S94.7Very high94.9Very high19 Ų1936.1 Ų36.113%0.13319%0.19CC..G310 helixtrans-55.1-32.3-177.950.60000112.8I100 N104 C105 Y131 F133I100-S102 PolarHBondContact O-N 3.23Å; S102-N104 PolarHBondContact O-N 3.02Å; S102-C105 PolarHBondContact O-N 3.19Å; S102-Y131 VanDerWaalsContact CB-O 3.25Å; S102-Y131 WeakPolarHBondContact CB-O 3.27Å; S102-Y131 PolarHBondContact OG-O 3.05Å; S102-F133 WeakPolarHBondContact O-CA 3.48Å; S102-F133 WeakPolarHBondContact O-CD1 3.4Å
103R94.3Very high94.3Very high139 Ų13936.7 Ų36.753%0.52519%0.194SC..G310 helixtrans-60.9-30.6179.9-63.9170.9-64.4-178.35.6113.3D101 Q132D101-R103 PolarHBondContact O-N 3.3Å; D101-R103 VanDerWaalsContact O-N 3.17Å; D101-R103 WeakPolarHBondContact OD1-CB 3.45Å; D101-R103 IonicContact OD1-CZ 2.86Å; D101-R103 PolarHBondContact OD1-N 2.64Å; D101-R103 IonicContact OD1-NE 3.56Å; D101-R103 PolarHBondContact OD1-NE 2.9Å; D101-R103 IonicContact OD1-NH2 3.08Å; D101-R103 PolarHBondContact OD1-NH2 3.32Å; D101-R103 IonicContact OD2-CZ 2.87Å; D101-R103 IonicContact OD2-NE 2.63Å; D101-R103 PolarHBondContact OD2-NE 3.04Å; D101-R103 IonicContact OD2-NH2 3.59Å; D101-R103 PolarHBondContact OD2-NH2 3.17Å; R103-Q132 WeakPolarHBondContact CA-O 3.34Å; R103-Q132 HydrophobicContact CG-CB 3.83Å
104N93.6Very high93.6Very high102 Ų10241.3 Ų41.355%0.54522%0.216SC..G310 helixtrans-100.216.8-179-63.1-34.4000112.6R6 D101 S102R6-N104 WeakPolarHBondContact CB-O 3.37Å; R6-N104 WeakPolarHBondContact CG-O 3.35Å; D101-N104 PolarHBondContact O-N 2.9Å; D101-N104 VanDerWaalsContact O-N 3.1Å; S102-N104 PolarHBondContact O-N 3.02Å
105C95.3Very high93.2Very high5 Ų541.2 Ų41.23%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-123.6159.1-177.5-62.90000111.9K7 V9 D101 S102 F133 S134K7-C105 VanDerWaalsContact O-CA 3.29Å; K7-C105 WeakPolarHBondContact O-CA 3.38Å; V9-C105 HydrophobicContact CG2-CB 4.38Å; D101-C105 PolarHBondContact O-SG 2.82Å; S102-C105 PolarHBondContact O-N 3.19Å; C105-F133 HydrophobicContact CB-CD1 4.03Å; C105-F133 HydrophobicContact CB-CE1 3.96Å; C105-S134 PolarHBondContact O-N 3.3Å; C105-S134 PolarHBondContact O-OG 3.15Å
106K96.4Very high93Very high6 Ų638.9 Ų38.93%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-106.1151.4160.5-61.3-178.3-177.8179.30108.9D2 R6 K7 V8 V9 G135 K366 W372D2-K106 WeakPolarHBondContact OD2-CE 3.49Å; D2-K106 IonicContact OD2-NZ 3.78Å; D2-K106 PolarHBondContact OD2-NZ 3.43Å; R6-K106 VanDerWaalsContact CZ-CE 3.42Å; K7-K106 PolarHBondContact O-N 3.38Å; V8-K106 WeakPolarHBondContact CA-O 3.39Å; V8-K106 HydrophobicContact CG1-CB 4.42Å; V8-K106 HydrophobicContact CG2-CB 4.37Å; V9-K106 PolarHBondContact N-O 2.9Å; K106-G135 CarbonylContact C-O 3.56Å; K106-G135 WeakPolarHBondContact CA-O 3.49Å; K106-K366 PolarHBondContact NZ-O 3.33Å; K106-W372 HydrophobicContact CB-CD2 4.37Å; K106-W372 HydrophobicContact CB-CE3 4.09Å; K106-W372 HydrophobicContact CB-CH2 4.28Å; K106-W372 HydrophobicContact CB-CZ3 4.05Å; K106-W372 HydrophobicContact CD-CD2 3.79Å; K106-W372 HydrophobicContact CD-CE3 4.33Å; K106-W372 HydrophobicContact CD-CG 3.93Å; K106-W372 HydrophobicContact CD-CZ2 4.4Å
107I97.4Very high92.8Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-134.3127.7-179.7-171.3170.1000112.7V9 C11 F93 L109 M127 F133 G135 V136 Y137 W372V9-I107 HydrophobicContact CB-CB 4.47Å; V9-I107 HydrophobicContact CB-CG1 4.25Å; V9-I107 HydrophobicContact CG1-CD1 4.42Å; V9-I107 HydrophobicContact CG1-CG1 4.33Å; V9-I107 CarbonylContact O-C 3.57Å; V9-I107 WeakPolarHBondContact O-CA 3.39Å; C11-I107 HydrophobicContact CB-CD1 4.38Å; F93-I107 HydrophobicContact CE1-CD1 3.52Å; F93-I107 HydrophobicContact CE2-CD1 4.42Å; F93-I107 HydrophobicContact CZ-CD1 3.32Å; I107-L109 HydrophobicContact CD1-CD2 3.74Å; I107-L109 HydrophobicContact CD1-CG 4.24Å; I107-L109 HydrophobicContact CG1-CD2 4.09Å; I107-L109 HydrophobicContact CG1-CG 4.17Å; I107-M127 HydrophobicContact CD1-SD 4.45Å; I107-F133 HydrophobicContact CB-CD1 3.96Å; I107-F133 HydrophobicContact CB-CE1 3.9Å; I107-F133 HydrophobicContact CB-CG 4.34Å; I107-F133 HydrophobicContact CB-CZ 4.23Å; I107-F133 HydrophobicContact CD1-CE1 4.33Å; I107-F133 HydrophobicContact CD1-CE2 4.17Å; I107-F133 HydrophobicContact CD1-CZ 3.86Å; I107-F133 HydrophobicContact CG2-CB 4.14Å; I107-F133 HydrophobicContact CG2-CD1 3.77Å; I107-F133 HydrophobicContact CG2-CD2 3.81Å; I107-F133 HydrophobicContact CG2-CE1 4.07Å; I107-F133 HydrophobicContact CG2-CE2 4.11Å; I107-F133 HydrophobicContact CG2-CG 3.63Å; I107-F133 HydrophobicContact CG2-CZ 4.23Å; I107-G135 PolarHBondContact N-O 3.2Å; I107-V136 HydrophobicContact CG2-CB 4.4Å; I107-V136 HydrophobicContact CG2-CG1 4.26Å; I107-V136 HydrophobicContact CG2-CG2 3.89Å; I107-V136 CarbonylContact O-C 3.33Å; I107-V136 WeakPolarHBondContact O-CA 3.36Å; I107-Y137 PolarHBondContact O-N 3.32Å; I107-W372 WeakPolarHBondContact O-CZ3 3.46Å
108L97.7Very high92.6Very high0 Ų043.7 Ų43.70%022%0.222CC..EExtended strand (participates in β ladder)trans-97.7120.7166.6-172.8151.3000109V9 V10 C11 T110 Y137 A139 L144 L361 A362 W372V9-L108 PolarHBondContact O-N 2.9Å; V10-L108 WeakPolarHBondContact CA-O 3.29Å; V10-L108 HydrophobicContact CG1-CD2 4.12Å; V10-L108 HydrophobicContact CG2-CB 4.31Å; C11-L108 PolarHBondContact N-O 3.45Å; L108-T110 HydrophobicContact CD2-CG2 4.44Å; L108-Y137 WeakPolarHBondContact CA-O 3.41Å; L108-Y137 HydrophobicContact CD1-CD1 3.89Å; L108-Y137 HydrophobicContact CG-CD1 4.11Å; L108-A139 HydrophobicContact CD2-CB 4.2Å; L108-L144 HydrophobicContact CD2-CD1 4.25Å; L108-L361 HydrophobicContact CD1-CD2 4.22Å; L108-L361 HydrophobicContact CD1-CG 4.5Å; L108-A362 HydrophobicContact CB-CB 4.36Å; L108-A362 HydrophobicContact CD1-CB 4.09Å; L108-W372 HydrophobicContact CB-CH2 4.15Å; L108-W372 HydrophobicContact CB-CZ3 4.31Å
109L96.9Very high92.5Very high2 Ų244.6 Ų44.61%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-105.4151.5174.9-64.7170000110.1C11 I107 I123 M127 V136 Y137 I138 A139C11-L109 HydrophobicContact CB-CD2 3.94Å; I107-L109 HydrophobicContact CD1-CD2 3.74Å; I107-L109 HydrophobicContact CD1-CG 4.24Å; I107-L109 HydrophobicContact CG1-CD2 4.09Å; I107-L109 HydrophobicContact CG1-CG 4.17Å; L109-I123 HydrophobicContact CD1-CG2 3.41Å; L109-I123 VanDerWaalsContact CD1-CG2 3.41Å; L109-M127 HydrophobicContact CD1-CE 3.78Å; L109-M127 HydrophobicContact CD1-CG 3.76Å; L109-M127 HydrophobicContact CD1-SD 3.96Å; L109-M127 HydrophobicContact CD2-CE 4.38Å; L109-V136 HydrophobicContact CD1-CG1 4.47Å; L109-Y137 PolarHBondContact N-O 3.49Å; L109-I138 HydrophobicContact CB-CG1 4.43Å; L109-I138 WeakPolarHBondContact O-CA 3.35Å; L109-A139 PolarHBondContact O-N 2.95Å
110T94.6Very high92.2Very high6 Ų641.1 Ų41.14%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-104.7150.1173.173.20000109.9C11 D12 L108 A139 L144 V354C11-T110 PolarHBondContact O-N 3.42Å; D12-T110 VanDerWaalsContact CA-OG1 3.3Å; D12-T110 WeakPolarHBondContact CA-OG1 3.2Å; D12-T110 HydrophobicContact CB-CG2 4.01Å; D12-T110 PolarHBondContact OD1-OG1 3.07Å; L108-T110 HydrophobicContact CD2-CG2 4.44Å; T110-A139 CarbonylContact C-O 3.49Å; T110-A139 VanDerWaalsContact CA-O 3.3Å; T110-A139 WeakPolarHBondContact CA-O 3.32Å; T110-L144 HydrophobicContact CG2-CD1 3.79Å; T110-V354 HydrophobicContact CG2-CG1 3.74Å
111E91.4Very high92.2Very high4 Ų442.1 Ų42.12%0.01921%0.21CC..EExtended strand (participates in β ladder)trans-134.6149.3171.472.9-175.1148.300111.3N115 R120 I138 A139 I140 Q141E111-N115 HydrophobicContact CB-CB 4.45Å; E111-N115 PolarHBondContact OE2-ND2 2.87Å; E111-R120 VanDerWaalsContact CD-CZ 3.47Å; E111-R120 VanDerWaalsContact CD-NE 3.3Å; E111-R120 IonicContact OE1-CZ 2.66Å; E111-R120 IonicContact OE1-NE 3.95Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH1 2.86Å; E111-R120 IonicContact OE1-NH2 3.52Å; E111-R120 PolarHBondContact OE1-NH2 2.67Å; E111-R120 IonicContact OE2-CZ 2.66Å; E111-R120 VanDerWaalsContact OE2-CZ 3.25Å; E111-R120 IonicContact OE2-NE 3.31Å; E111-R120 PolarHBondContact OE2-NE 3.36Å; E111-R120 IonicContact OE2-NH2 3.61Å; E111-R120 PolarHBondContact OE2-NH2 2.78Å; E111-I138 HydrophobicContact CB-CG2 4.02Å; E111-I138 VanDerWaalsContact CD-CG2 3.48Å; E111-I138 HydrophobicContact CG-CG2 3.9Å; E111-I138 WeakPolarHBondContact OE1-CG2 3.39Å; E111-A139 PolarHBondContact N-O 2.94Å; E111-I140 HydrophobicContact CG-CG1 4.4Å; E111-Q141 VanDerWaalsContact O-CG 3.27Å; E111-Q141 WeakPolarHBondContact O-CG 3.32Å; E111-Q141 PolarHBondContact O-N 2.78Å
112P88.9Confident92.2Very high11 Ų1142.3 Ų42.37%0.07121%0.207CC..  trans-68.8159.7175.633.4-39.7000111.4G77 N115G77-P112 WeakPolarHBondContact O-CG 3.49Å; P112-N115 HydrophobicContact CG-CB 4.28Å; P112-N115 PolarHBondContact O-N 3.04Å
113P84.9Confident92.2Very high12 Ų1242 Ų428%0.07820%0.204CC..THydrogen-bonded Turntrans-55.7147.7168.2-21.133.1000111.7N115 H165 C167 T179P113-N115 PolarHBondContact O-N 2.81Å; P113-H165 HydrophobicContact CG-CB 4.04Å; P113-C167 HydrophobicContact CG-CB 4.35Å; P113-T179 HydrophobicContact CB-CG2 3.66Å
114M82.8Confident92.2Very high105 Ų10535.4 Ų35.452%0.51718%0.179SC..THydrogen-bonded Turntrans57.926.8179.4-55.2-171.3-70.900115.3T179 R181M114-T179 HydrophobicContact CE-CG2 4.18Å; M114-T179 HydrophobicContact CG-CG2 4.26Å; M114-T179 HydrophobicContact SD-CG2 4.47Å; M114-R181 HydrophobicContact CE-CB 4.15Å
115N86.7Confident92.3Very high17 Ų1733.3 Ų33.39%0.09117%0.166CC..  trans-61.3129.8172-172.830.3000110.9E111 P112 P113 T117 N119E111-N115 HydrophobicContact CB-CB 4.45Å; E111-N115 PolarHBondContact OE2-ND2 2.87Å; P112-N115 HydrophobicContact CG-CB 4.28Å; P112-N115 PolarHBondContact O-N 3.04Å; P113-N115 PolarHBondContact O-N 2.81Å; N115-T117 PolarHBondContact O-N 3.21Å; N115-N119 WeakPolarHBondContact OD1-CB 3.42Å; N115-N119 PolarHBondContact OD1-ND2 3.17Å
116P88.6Confident92.3Very high58 Ų5833.4 Ų33.438%0.37717%0.167SC..  trans-57138.3175.6-26.834.8000112.3K118 N119 R120P116-K118 VanDerWaalsContact C-N 3.26Å; P116-K118 PolarHBondContact O-N 3.03Å; P116-N119 WeakPolarHBondContact O-CB 3.49Å; P116-N119 PolarHBondContact O-N 3.4Å; P116-R120 PolarHBondContact O-N 2.89Å
117T88.6Confident92.4Very high67 Ų6733.1 Ų33.141%0.41117%0.165SC..Hα-helixtrans-55.6-42179.353.40000111.7N115 N119 R120 E121 V391N115-T117 PolarHBondContact O-N 3.21Å; T117-N119 PolarHBondContact O-N 2.8Å; T117-N119 VanDerWaalsContact O-N 3.14Å; T117-R120 CarbonylContact O-C 3.48Å; T117-R120 WeakPolarHBondContact O-CA 3.48Å; T117-R120 VanDerWaalsContact O-CB 3.3Å; T117-R120 WeakPolarHBondContact O-CB 3.05Å; T117-R120 PolarHBondContact O-N 2.96Å; T117-E121 VanDerWaalsContact O-CG 3.32Å; T117-E121 WeakPolarHBondContact O-CG 3.17Å; T117-E121 PolarHBondContact O-N 3.39Å; T117-V391 HydrophobicContact CG2-CG1 3.87Å
118K91.4Very high92.4Very high160 Ų16033.4 Ų33.470%0.69617%0.166SC*.Hα-helixtrans-52-37.3175-68.9-173176-1750114P116 K122P116-K118 VanDerWaalsContact C-N 3.26Å; P116-K118 PolarHBondContact O-N 3.03Å; K118-K122 WeakPolarHBondContact O-CB 3.35Å; K118-K122 PolarHBondContact O-N 3Å
119N91.9Very high92.3Very high27 Ų2738.5 Ų38.514%0.14419%0.191CC..Hα-helixtrans-72.5-39.3177.5-68.9-12.1000111I78 W82 N115 P116 T117 E121 K122 I123I78-N119 VanDerWaalsContact CG2-ND2 3.32Å; I78-N119 WeakPolarHBondContact CG2-ND2 3.43Å; W82-N119 HydrophobicContact CH2-CB 4.33Å; W82-N119 WeakPolarHBondContact CH2-O 3.4Å; W82-N119 HydrophobicContact CZ2-CB 4.09Å; N115-N119 WeakPolarHBondContact OD1-CB 3.42Å; N115-N119 PolarHBondContact OD1-ND2 3.17Å; P116-N119 WeakPolarHBondContact O-CB 3.49Å; P116-N119 PolarHBondContact O-N 3.4Å; T117-N119 PolarHBondContact O-N 2.8Å; T117-N119 VanDerWaalsContact O-N 3.14Å; N119-E121 VanDerWaalsContact C-N 3.33Å; N119-K122 PolarHBondContact O-N 2.88Å; N119-I123 VanDerWaalsContact O-CG1 3.3Å; N119-I123 WeakPolarHBondContact O-CG1 3.35Å; N119-I123 PolarHBondContact O-N 2.95Å
120R91.6Very high92.3Very high37 Ų3742.2 Ų42.214%0.1421%0.213CC..Hα-helixtrans-61.6-43.4174.5-167.2179.9-66.3170.67111.3E111 P116 T117 I123 I124 I138 L386E111-R120 VanDerWaalsContact CD-CZ 3.47Å; E111-R120 VanDerWaalsContact CD-NE 3.3Å; E111-R120 IonicContact OE1-CZ 2.66Å; E111-R120 IonicContact OE1-NE 3.95Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH1 2.86Å; E111-R120 IonicContact OE1-NH2 3.52Å; E111-R120 PolarHBondContact OE1-NH2 2.67Å; E111-R120 IonicContact OE2-CZ 2.66Å; E111-R120 VanDerWaalsContact OE2-CZ 3.25Å; E111-R120 IonicContact OE2-NE 3.31Å; E111-R120 PolarHBondContact OE2-NE 3.36Å; E111-R120 IonicContact OE2-NH2 3.61Å; E111-R120 PolarHBondContact OE2-NH2 2.78Å; P116-R120 PolarHBondContact O-N 2.89Å; T117-R120 CarbonylContact O-C 3.48Å; T117-R120 WeakPolarHBondContact O-CA 3.48Å; T117-R120 VanDerWaalsContact O-CB 3.3Å; T117-R120 WeakPolarHBondContact O-CB 3.05Å; T117-R120 PolarHBondContact O-N 2.96Å; R120-I123 PolarHBondContact O-N 2.87Å; R120-I124 WeakPolarHBondContact O-CG1 3.43Å; R120-I124 PolarHBondContact O-N 2.98Å; R120-I124 VanDerWaalsContact O-N 3.12Å; R120-I138 HydrophobicContact CG-CD1 3.64Å; R120-L386 HydrophobicContact CG-CD1 4.15Å; R120-L386 HydrophobicContact CG-CD2 4.02Å
121E93.5Very high92.4Very high46 Ų4642.7 Ų42.722%0.21521%0.214CC..Hα-helixtrans-58.3-47.4173.9-63.8177.5-169.900111.2T117 N119 I123 I124 E125 V383 L386T117-E121 VanDerWaalsContact O-CG 3.32Å; T117-E121 WeakPolarHBondContact O-CG 3.17Å; T117-E121 PolarHBondContact O-N 3.39Å; N119-E121 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.37Å; E121-I124 PolarHBondContact O-N 3.13Å; E121-E125 PolarHBondContact O-N 2.7Å; E121-V383 HydrophobicContact CB-CG1 3.53Å; E121-V383 HydrophobicContact CG-CG1 3.3Å; E121-L386 HydrophobicContact CB-CD1 4.43Å; E121-L386 HydrophobicContact CG-CD1 3.86Å
122K94.7Very high92.6Very high66 Ų6645.7 Ų45.729%0.28723%0.229SC..Hα-helixtrans-66-35.6179.3-169.856.1170.6-177.80113.3W82 K118 N119 E125 V126W82-K122 HydrophobicContact CD2-CG 3.66Å; W82-K122 HydrophobicContact CE3-CB 4.48Å; W82-K122 HydrophobicContact CE3-CG 3.71Å; W82-K122 HydrophobicContact CG-CG 4.38Å; W82-K122 HydrophobicContact CH2-CB 3.69Å; W82-K122 HydrophobicContact CH2-CG 3.82Å; W82-K122 HydrophobicContact CZ2-CB 3.72Å; W82-K122 HydrophobicContact CZ2-CG 3.77Å; W82-K122 HydrophobicContact CZ3-CB 4.07Å; W82-K122 HydrophobicContact CZ3-CG 3.77Å; K118-K122 WeakPolarHBondContact O-CB 3.35Å; K118-K122 PolarHBondContact O-N 3Å; N119-K122 PolarHBondContact O-N 2.88Å; K122-E125 HydrophobicContact CD-CB 4.5Å; K122-E125 WeakPolarHBondContact CD-OE2 3.41Å; K122-E125 IonicContact NZ-OE1 3.21Å; K122-E125 PolarHBondContact NZ-OE1 3.33Å; K122-E125 IonicContact NZ-OE2 2.75Å; K122-E125 PolarHBondContact NZ-OE2 2.82Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; K122-E125 PolarHBondContact O-N 2.73Å; K122-V126 HydrophobicContact CD-CG2 4.4Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.37Å; K122-V126 PolarHBondContact O-N 2.84Å
123I94.6Very high93Very high13 Ų1345.2 Ų45.27%0.06723%0.225CC..Hα-helixtrans-59.6-49.7172.3-70.9163.7000109.8W82 W89 L109 N119 R120 E121 E125 V126 M127 I138W82-I123 HydrophobicContact CH2-CG1 3.83Å; W82-I123 HydrophobicContact CZ3-CG1 3.92Å; W89-I123 HydrophobicContact CH2-CG1 4.24Å; L109-I123 HydrophobicContact CD1-CG2 3.41Å; L109-I123 VanDerWaalsContact CD1-CG2 3.41Å; N119-I123 VanDerWaalsContact O-CG1 3.3Å; N119-I123 WeakPolarHBondContact O-CG1 3.35Å; N119-I123 PolarHBondContact O-N 2.95Å; R120-I123 PolarHBondContact O-N 2.87Å; E121-I123 PolarHBondContact O-N 3.37Å; I123-E125 PolarHBondContact O-N 3.24Å; I123-V126 PolarHBondContact O-N 2.85Å; I123-M127 HydrophobicContact CG2-CG 4.13Å; I123-M127 WeakPolarHBondContact O-CB 3.47Å; I123-M127 WeakPolarHBondContact O-CG 3.48Å; I123-M127 PolarHBondContact O-N 3.06Å; I123-I138 HydrophobicContact CB-CD1 4.28Å; I123-I138 HydrophobicContact CG2-CD1 3.87Å
124I94.6Very high93.5Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-60.9-45.5179.9-70.7-57.3000111.5R120 E121 V126 M127 F128 V136 I138 L373 Y378 V385 L386R120-I124 WeakPolarHBondContact O-CG1 3.43Å; R120-I124 PolarHBondContact O-N 2.98Å; R120-I124 VanDerWaalsContact O-N 3.12Å; E121-I124 PolarHBondContact O-N 3.13Å; I124-V126 PolarHBondContact O-N 3.01Å; I124-M127 PolarHBondContact O-N 3.01Å; I124-F128 HydrophobicContact CD1-CE2 4.46Å; I124-F128 HydrophobicContact CG2-CD2 3.62Å; I124-F128 HydrophobicContact CG2-CE2 3.78Å; I124-F128 WeakPolarHBondContact O-CD2 3.12Å; I124-F128 PolarHBondContact O-N 2.82Å; I124-V136 HydrophobicContact CD1-CB 4.25Å; I124-V136 HydrophobicContact CD1-CG1 3.65Å; I124-I138 HydrophobicContact CD1-CD1 3.58Å; I124-I138 HydrophobicContact CD1-CG1 4.11Å; I124-I138 HydrophobicContact CG1-CD1 3.8Å; I124-L373 HydrophobicContact CD1-CD1 3.89Å; I124-Y378 HydrophobicContact CG2-CD2 3.79Å; I124-Y378 HydrophobicContact CG2-CE2 3.8Å; I124-V385 HydrophobicContact CG2-CG1 4.22Å; I124-L386 HydrophobicContact CD1-CD2 4.28Å; I124-L386 HydrophobicContact CG1-CD1 4.18Å; I124-L386 HydrophobicContact CG1-CD2 3.7Å; I124-L386 HydrophobicContact CG1-CG 4.05Å
125E95.2Very high94.1Very high57 Ų5740.6 Ų40.627%0.26620%0.204SC..Hα-helixtrans-55.1-52.1175.2-172.1-162.9137.600110.9E121 K122 I123 M127 F128 E129E121-E125 PolarHBondContact O-N 2.7Å; K122-E125 HydrophobicContact CD-CB 4.5Å; K122-E125 WeakPolarHBondContact CD-OE2 3.41Å; K122-E125 IonicContact NZ-OE1 3.21Å; K122-E125 PolarHBondContact NZ-OE1 3.33Å; K122-E125 IonicContact NZ-OE2 2.75Å; K122-E125 PolarHBondContact NZ-OE2 2.82Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; K122-E125 PolarHBondContact O-N 2.73Å; I123-E125 PolarHBondContact O-N 3.24Å; E125-M127 PolarHBondContact O-N 2.83Å; E125-F128 PolarHBondContact O-N 2.93Å; E125-E129 HydrophobicContact CG-CG 4.23Å; E125-E129 WeakPolarHBondContact O-CB 3.34Å; E125-E129 WeakPolarHBondContact O-CG 3.3Å; E125-E129 PolarHBondContact O-N 3.44Å
126V96.6Very high94.6Very high8 Ų839.8 Ų39.85%0.04820%0.2CC..Iπ-helixtrans-62.8-42.1-179.9173.10000111.8K86 W89 K122 I123 I124 F128 T130 Y131K86-V126 HydrophobicContact CG-CG1 4.3Å; W89-V126 HydrophobicContact CE3-CG1 3.92Å; W89-V126 HydrophobicContact CZ3-CB 4.23Å; W89-V126 HydrophobicContact CZ3-CG1 3.69Å; K122-V126 HydrophobicContact CD-CG2 4.4Å; K122-V126 VanDerWaalsContact O-CG2 3.3Å; K122-V126 WeakPolarHBondContact O-CG2 3.37Å; K122-V126 PolarHBondContact O-N 2.84Å; I123-V126 PolarHBondContact O-N 2.85Å; I124-V126 PolarHBondContact O-N 3.01Å; V126-F128 PolarHBondContact O-N 2.93Å; V126-T130 WeakPolarHBondContact O-CA 3.33Å; V126-T130 VanDerWaalsContact O-CB 3.25Å; V126-T130 WeakPolarHBondContact O-CB 3.29Å; V126-T130 PolarHBondContact O-N 2.63Å; V126-Y131 HydrophobicContact CG1-CD2 3.83Å; V126-Y131 HydrophobicContact CG1-CE2 3.61Å; V126-Y131 PolarHBondContact O-N 2.86Å; V126-Y131 VanDerWaalsContact O-N 3.16Å
127M97.1Very high94.9Very high0 Ų039.2 Ų39.20%019%0.19CC..Iπ-helixtrans-67.8-34.7-177.3-67.4-66.2154.300113.1W89 F93 I107 L109 I123 I124 E125 Y131 Q132 F133 V136W89-M127 HydrophobicContact CD2-CE 3.49Å; W89-M127 VanDerWaalsContact CD2-CE 3.49Å; W89-M127 HydrophobicContact CE3-CE 3.76Å; W89-M127 HydrophobicContact CG-CE 4.11Å; W89-M127 HydrophobicContact CH2-CE 3.76Å; W89-M127 HydrophobicContact CZ2-CE 3.49Å; W89-M127 VanDerWaalsContact CZ2-CE 3.49Å; W89-M127 HydrophobicContact CZ3-CE 3.89Å; F93-M127 HydrophobicContact CE2-SD 4.45Å; I107-M127 HydrophobicContact CD1-SD 4.45Å; L109-M127 HydrophobicContact CD1-CE 3.78Å; L109-M127 HydrophobicContact CD1-CG 3.76Å; L109-M127 HydrophobicContact CD1-SD 3.96Å; L109-M127 HydrophobicContact CD2-CE 4.38Å; I123-M127 HydrophobicContact CG2-CG 4.13Å; I123-M127 WeakPolarHBondContact O-CB 3.47Å; I123-M127 WeakPolarHBondContact O-CG 3.48Å; I123-M127 PolarHBondContact O-N 3.06Å; I124-M127 PolarHBondContact O-N 3.01Å; E125-M127 PolarHBondContact O-N 2.83Å; M127-Y131 CarbonylContact O-C 3.18Å; M127-Y131 HydrophobicContact SD-CD2 4.27Å; M127-Q132 PolarHBondContact O-N 2.68Å; M127-F133 HydrophobicContact CB-CD2 4.36Å; M127-F133 PolarHBondContact O-N 3.16Å; M127-F133 VanDerWaalsContact O-N 3.11Å; M127-F133 HydrophobicContact SD-CD2 3.96Å; M127-F133 HydrophobicContact SD-CE2 3.81Å; M127-V136 HydrophobicContact CB-CG1 4.45Å; M127-V136 HydrophobicContact CB-CG2 3.87Å
128F97.1Very high95.2Very high5 Ų536.4 Ų36.42%0.02217%0.173CC..Iπ-helixtrans-91.7-37.9178.2-72.4-56.8000114.1I124 E125 V126 Q132 F133 V136 L373 R375 Y378I124-F128 HydrophobicContact CD1-CE2 4.46Å; I124-F128 HydrophobicContact CG2-CD2 3.62Å; I124-F128 HydrophobicContact CG2-CE2 3.78Å; I124-F128 WeakPolarHBondContact O-CD2 3.12Å; I124-F128 PolarHBondContact O-N 2.82Å; E125-F128 PolarHBondContact O-N 2.93Å; V126-F128 PolarHBondContact O-N 2.93Å; F128-Q132 VanDerWaalsContact O-CA 3.24Å; F128-Q132 WeakPolarHBondContact O-CA 3.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.42Å; F128-Q132 PolarHBondContact O-N 2.98Å; F128-F133 WeakPolarHBondContact CD1-O 3.19Å; F128-F133 WeakPolarHBondContact CE1-O 3.25Å; F128-V136 HydrophobicContact CD1-CG2 4.2Å; F128-V136 HydrophobicContact CE1-CB 4.33Å; F128-V136 HydrophobicContact CE1-CG2 3.64Å; F128-V136 HydrophobicContact CE2-CB 4.19Å; F128-V136 HydrophobicContact CE2-CG2 4.07Å; F128-V136 HydrophobicContact CZ-CB 3.77Å; F128-V136 HydrophobicContact CZ-CG2 3.57Å; F128-L373 HydrophobicContact CE2-CB 4.44Å; F128-L373 HydrophobicContact CZ-CB 4.18Å; F128-L373 WeakPolarHBondContact CZ-O 3.33Å; F128-R375 HydrophobicContact CD1-CB 3.92Å; F128-R375 HydrophobicContact CD1-CG 4.25Å; 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 3.67Å; F128-Y378 HydrophobicContact CB-CG 3.94Å; F128-Y378 AromaticContact CD2-CD1 3.9Å; F128-Y378 HydrophobicContact CD2-CD1 3.9Å; F128-Y378 AromaticContact CD2-CD2 3.66Å; F128-Y378 HydrophobicContact CD2-CD2 3.66Å; F128-Y378 HydrophobicContact CD2-CE1 4.49Å; F128-Y378 HydrophobicContact CD2-CE2 4.29Å; F128-Y378 AromaticContact CD2-CG 3.43Å; F128-Y378 HydrophobicContact CD2-CG 3.43Å; F128-Y378 VanDerWaalsContact CD2-CG 3.43Å; F128-Y378 HydrophobicContact CE2-CD2 4.25Å; F128-Y378 HydrophobicContact CE2-CG 4.1Å; F128-Y378 AromaticContact CG-CD1 3.85Å; F128-Y378 HydrophobicContact CG-CD1 3.85Å; F128-Y378 HydrophobicContact CG-CD2 4.44Å; F128-Y378 HydrophobicContact CG-CE1 4.46Å; F128-Y378 AromaticContact CG-CG 3.84Å; F128-Y378 HydrophobicContact CG-CG 3.84Å
129E96.3Very high95.3Very high108 Ų10829.1 Ų29.151%0.50514%0.142SC..Iπ-helixtrans-82.5-47.7-177.1-62-171.2170.800112E125 Y378E125-E129 HydrophobicContact CG-CG 4.23Å; E125-E129 WeakPolarHBondContact O-CB 3.34Å; E125-E129 WeakPolarHBondContact O-CG 3.3Å; E125-E129 PolarHBondContact O-N 3.44Å; E129-Y378 HydrophobicContact CG-CE1 3.92Å; E129-Y378 PolarHBondContact OE1-OH 2.93Å; E129-Y378 VanDerWaalsContact OE1-OH 3.08Å
130T96.4Very high95.3Very high80 Ų8029.7 Ų29.749%0.49115%0.145SC..Iπ-helixtrans-83.8-54.8-176.7-51.30000111V126V126-T130 WeakPolarHBondContact O-CA 3.33Å; V126-T130 VanDerWaalsContact O-CB 3.25Å; V126-T130 WeakPolarHBondContact O-CB 3.29Å; V126-T130 PolarHBondContact O-N 2.63Å
131Y96.9Very high95.3Very high15 Ų1528.7 Ų28.76%0.05914%0.142CC..SBendtrans-90.9-15.6-175.2-64.3-74000114.1K86 W89 D90 F93 S102 V126 M127 F133K86-Y131 PolarHBondContact O-OH 3.21Å; W89-Y131 HydrophobicContact CB-CE1 4.49Å; W89-Y131 HydrophobicContact CB-CE2 3.99Å; W89-Y131 WeakPolarHBondContact CB-OH 3.38Å; W89-Y131 HydrophobicContact CE3-CE2 4.08Å; D90-Y131 PolarHBondContact N-OH 2.71Å; D90-Y131 WeakPolarHBondContact OD1-CE1 3.47Å; D90-Y131 PolarHBondContact OD1-OH 3.03Å; D90-Y131 VanDerWaalsContact OD1-OH 3.05Å; F93-Y131 AromaticContact CD2-CD1 3.86Å; F93-Y131 HydrophobicContact CD2-CD1 3.86Å; F93-Y131 AromaticContact CD2-CE1 3.85Å; F93-Y131 HydrophobicContact CD2-CE1 3.85Å; F93-Y131 HydrophobicContact CD2-CG 4.36Å; F93-Y131 HydrophobicContact CE2-CD1 4.28Å; F93-Y131 HydrophobicContact CE2-CD2 4.49Å; F93-Y131 HydrophobicContact CE2-CE1 4.33Å; F93-Y131 HydrophobicContact CE2-CG 4.36Å; S102-Y131 VanDerWaalsContact CB-O 3.25Å; S102-Y131 WeakPolarHBondContact CB-O 3.27Å; S102-Y131 PolarHBondContact OG-O 3.05Å; V126-Y131 HydrophobicContact CG1-CD2 3.83Å; V126-Y131 HydrophobicContact CG1-CE2 3.61Å; V126-Y131 PolarHBondContact O-N 2.86Å; V126-Y131 VanDerWaalsContact O-N 3.16Å; M127-Y131 CarbonylContact O-C 3.18Å; M127-Y131 HydrophobicContact SD-CD2 4.27Å; Y131-F133 VanDerWaalsContact C-N 3.26Å; Y131-F133 HydrophobicContact CG-CE2 4.13Å; Y131-F133 PolarHBondContact O-N 3.16Å
132Q96.9Very high95.3Very high68 Ų6826.6 Ų26.632%0.31813%0.132SC..  trans56.934.2172.9-63.1-174.515.700114.9R103 M127 F128R103-Q132 WeakPolarHBondContact CA-O 3.34Å; R103-Q132 HydrophobicContact CG-CB 3.83Å; M127-Q132 PolarHBondContact O-N 2.68Å; F128-Q132 VanDerWaalsContact O-CA 3.24Å; F128-Q132 WeakPolarHBondContact O-CA 3.42Å; F128-Q132 WeakPolarHBondContact O-CG 3.42Å; F128-Q132 PolarHBondContact O-N 2.98Å
133F97Very high95.2Very high0 Ų024.2 Ų24.20%012%0.123CC..  trans-56.4143.8176.8-79.1-81000111.9F93 S102 C105 I107 M127 F128 Y131 V136F93-F133 HydrophobicContact CD1-CZ 4.25Å; F93-F133 HydrophobicContact CD2-CE2 4.23Å; F93-F133 HydrophobicContact CD2-CZ 4.07Å; F93-F133 HydrophobicContact CE1-CZ 4.06Å; F93-F133 AromaticContact CE2-CE2 3.78Å; F93-F133 HydrophobicContact CE2-CE2 3.78Å; F93-F133 AromaticContact CE2-CZ 3.85Å; F93-F133 HydrophobicContact CE2-CZ 3.85Å; F93-F133 HydrophobicContact CG-CZ 4.27Å; F93-F133 HydrophobicContact CZ-CE2 4.06Å; F93-F133 AromaticContact CZ-CZ 3.86Å; F93-F133 HydrophobicContact CZ-CZ 3.86Å; S102-F133 WeakPolarHBondContact O-CA 3.48Å; S102-F133 WeakPolarHBondContact O-CD1 3.4Å; C105-F133 HydrophobicContact CB-CD1 4.03Å; C105-F133 HydrophobicContact CB-CE1 3.96Å; I107-F133 HydrophobicContact CB-CD1 3.96Å; I107-F133 HydrophobicContact CB-CE1 3.9Å; I107-F133 HydrophobicContact CB-CG 4.34Å; I107-F133 HydrophobicContact CB-CZ 4.23Å; I107-F133 HydrophobicContact CD1-CE1 4.33Å; I107-F133 HydrophobicContact CD1-CE2 4.17Å; I107-F133 HydrophobicContact CD1-CZ 3.86Å; I107-F133 HydrophobicContact CG2-CB 4.14Å; I107-F133 HydrophobicContact CG2-CD1 3.77Å; I107-F133 HydrophobicContact CG2-CD2 3.81Å; I107-F133 HydrophobicContact CG2-CE1 4.07Å; I107-F133 HydrophobicContact CG2-CE2 4.11Å; I107-F133 HydrophobicContact CG2-CG 3.63Å; I107-F133 HydrophobicContact CG2-CZ 4.23Å; M127-F133 HydrophobicContact CB-CD2 4.36Å; M127-F133 PolarHBondContact O-N 3.16Å; M127-F133 VanDerWaalsContact O-N 3.11Å; M127-F133 HydrophobicContact SD-CD2 3.96Å; M127-F133 HydrophobicContact SD-CE2 3.81Å; F128-F133 WeakPolarHBondContact CD1-O 3.19Å; F128-F133 WeakPolarHBondContact CE1-O 3.25Å; Y131-F133 VanDerWaalsContact C-N 3.26Å; Y131-F133 HydrophobicContact CG-CE2 4.13Å; Y131-F133 PolarHBondContact O-N 3.16Å; F133-V136 HydrophobicContact CB-CG2 3.93Å
134S95.1Very high95.2Very high20 Ų2023.7 Ų23.714%0.1412%0.12CC..SBendtrans-70.9-33.3179.967.20000112.6C105 R375C105-S134 PolarHBondContact O-N 3.3Å; C105-S134 PolarHBondContact O-OG 3.15Å; S134-R375 PolarHBondContact O-N 2.93Å; S134-R375 VanDerWaalsContact O-N 3.16Å
135G95.3Very high95.2Very high1 Ų123.7 Ų23.71%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-150.3141.1176.300000112.1K106 I107 L373K106-G135 CarbonylContact C-O 3.56Å; K106-G135 WeakPolarHBondContact CA-O 3.49Å; I107-G135 PolarHBondContact N-O 3.2Å; G135-L373 CarbonylContact C-O 3.5Å; G135-L373 WeakPolarHBondContact CA-O 3.34Å
136V96.6Very high95.2Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-128.9141-178.3-177.60000109.2I107 L109 I124 M127 F128 F133 L373I107-V136 HydrophobicContact CG2-CB 4.4Å; I107-V136 HydrophobicContact CG2-CG1 4.26Å; I107-V136 HydrophobicContact CG2-CG2 3.89Å; I107-V136 CarbonylContact O-C 3.33Å; I107-V136 WeakPolarHBondContact O-CA 3.36Å; L109-V136 HydrophobicContact CD1-CG1 4.47Å; I124-V136 HydrophobicContact CD1-CB 4.25Å; I124-V136 HydrophobicContact CD1-CG1 3.65Å; M127-V136 HydrophobicContact CB-CG1 4.45Å; M127-V136 HydrophobicContact CB-CG2 3.87Å; F128-V136 HydrophobicContact CD1-CG2 4.2Å; F128-V136 HydrophobicContact CE1-CB 4.33Å; F128-V136 HydrophobicContact CE1-CG2 3.64Å; F128-V136 HydrophobicContact CE2-CB 4.19Å; F128-V136 HydrophobicContact CE2-CG2 4.07Å; F128-V136 HydrophobicContact CZ-CB 3.77Å; F128-V136 HydrophobicContact CZ-CG2 3.57Å; F133-V136 HydrophobicContact CB-CG2 3.93Å; V136-L373 PolarHBondContact N-O 2.88Å; V136-L373 VanDerWaalsContact O-CB 3.3Å; V136-L373 WeakPolarHBondContact O-CB 3.07Å; V136-L373 WeakPolarHBondContact O-CG 3.42Å; V136-L373 PolarHBondContact O-N 3.2Å
137Y95.6Very high94.8Very high46 Ų4624.4 Ų24.418%0.1812%0.121CC..EExtended strand (participates in β ladder)trans-135141168.5-171.3-98.7000109.8I107 L108 L109 A139 L361 F371 L389I107-Y137 PolarHBondContact O-N 3.32Å; L108-Y137 WeakPolarHBondContact CA-O 3.41Å; L108-Y137 HydrophobicContact CD1-CD1 3.89Å; L108-Y137 HydrophobicContact CG-CD1 4.11Å; L109-Y137 PolarHBondContact N-O 3.49Å; Y137-A139 HydrophobicContact CD1-CB 4.11Å; Y137-A139 HydrophobicContact CE1-CB 3.82Å; Y137-L361 HydrophobicContact CE1-CD2 4.3Å; Y137-F371 AromaticContact CD1-CE1 3.88Å; Y137-F371 HydrophobicContact CD1-CE1 3.88Å; Y137-F371 HydrophobicContact CD1-CE2 4.22Å; 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 4.12Å; Y137-F371 HydrophobicContact CD2-CD2 4.31Å; Y137-F371 AromaticContact CD2-CE1 3.77Å; Y137-F371 HydrophobicContact CD2-CE1 3.77Å; Y137-F371 AromaticContact CD2-CE2 3.96Å; Y137-F371 HydrophobicContact CD2-CE2 3.96Å; Y137-F371 HydrophobicContact CD2-CG 4.39Å; Y137-F371 AromaticContact CD2-CZ 3.69Å; Y137-F371 HydrophobicContact CD2-CZ 3.69Å; Y137-F371 WeakPolarHBondContact CD2-O 3.29Å; Y137-F371 HydrophobicContact CE1-CE1 4.29Å; Y137-F371 AromaticContact CE1-CE2 3.8Å; Y137-F371 HydrophobicContact CE1-CE2 3.8Å; Y137-F371 AromaticContact CE1-CZ 3.42Å; Y137-F371 HydrophobicContact CE1-CZ 3.42Å; Y137-F371 VanDerWaalsContact CE1-CZ 3.42Å; Y137-F371 AromaticContact CE2-CD2 3.9Å; Y137-F371 HydrophobicContact CE2-CD2 3.9Å; Y137-F371 HydrophobicContact CE2-CE1 4.17Å; Y137-F371 AromaticContact CE2-CE2 3.49Å; Y137-F371 HydrophobicContact CE2-CE2 3.49Å; Y137-F371 VanDerWaalsContact CE2-CE2 3.49Å; Y137-F371 HydrophobicContact CE2-CG 4.41Å; Y137-F371 AromaticContact CE2-CZ 3.65Å; Y137-F371 HydrophobicContact CE2-CZ 3.65Å; Y137-F371 HydrophobicContact CG-CD1 4.32Å; Y137-F371 AromaticContact CG-CE1 3.59Å; Y137-F371 HydrophobicContact CG-CE1 3.59Å; Y137-F371 HydrophobicContact CG-CE2 4.29Å; Y137-F371 AromaticContact CG-CZ 3.58Å; Y137-F371 HydrophobicContact CG-CZ 3.58Å; Y137-F371 AromaticContact CZ-CE2 3.4Å; Y137-F371 VanDerWaalsContact CZ-CE2 3.4Å; Y137-F371 AromaticContact CZ-CZ 3.53Å; Y137-L389 HydrophobicContact CD2-CD2 3.9Å; Y137-L389 HydrophobicContact CE2-CD2 3.36Å
138I94.6Very high94.5Very high8 Ų825.9 Ų25.94%0.04113%0.132CC..EExtended strand (participates in β ladder)trans-118122.4176.7-57.4177.8000108L109 E111 R120 I123 I124L109-I138 HydrophobicContact CB-CG1 4.43Å; L109-I138 WeakPolarHBondContact O-CA 3.35Å; E111-I138 HydrophobicContact CB-CG2 4.02Å; E111-I138 VanDerWaalsContact CD-CG2 3.48Å; E111-I138 HydrophobicContact CG-CG2 3.9Å; E111-I138 WeakPolarHBondContact OE1-CG2 3.39Å; R120-I138 HydrophobicContact CG-CD1 3.64Å; I123-I138 HydrophobicContact CB-CD1 4.28Å; I123-I138 HydrophobicContact CG2-CD1 3.87Å; I124-I138 HydrophobicContact CD1-CD1 3.58Å; I124-I138 HydrophobicContact CD1-CG1 4.11Å; I124-I138 HydrophobicContact CG1-CD1 3.8Å
139A93Very high94.2Very high6 Ų628.1 Ų28.15%0.0514%0.143CC..EExtended strand (participates in β ladder)trans-116.7140.1-17700000111.5L108 L109 T110 E111 Y137 L144L108-A139 HydrophobicContact CD2-CB 4.2Å; L109-A139 PolarHBondContact O-N 2.95Å; T110-A139 CarbonylContact C-O 3.49Å; T110-A139 VanDerWaalsContact CA-O 3.3Å; T110-A139 WeakPolarHBondContact CA-O 3.32Å; E111-A139 PolarHBondContact N-O 2.94Å; Y137-A139 HydrophobicContact CD1-CB 4.11Å; Y137-A139 HydrophobicContact CE1-CB 3.82Å; A139-L144 HydrophobicContact CB-CD1 3.7Å; A139-L144 HydrophobicContact CB-CD2 3.78Å; A139-L144 HydrophobicContact CB-CG 3.77Å
140I91.9Very high93.9Very high40 Ų4026.2 Ų26.221%0.20515%0.152CC..EExtended strand (participates in β ladder)trans-72.8129.4173.8-60.5172.7000109.1E111 A142 V143 L144 S174E111-I140 HydrophobicContact CG-CG1 4.4Å; I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 HydrophobicContact CG2-CB 4.49Å; I140-A142 PolarHBondContact O-N 2.79Å; I140-V143 HydrophobicContact CB-CB 4.49Å; I140-V143 HydrophobicContact CB-CG2 4.09Å; I140-V143 HydrophobicContact CG2-CG2 4.36Å; I140-V143 PolarHBondContact O-N 2.88Å; I140-V143 VanDerWaalsContact O-N 3.07Å; I140-L144 PolarHBondContact O-N 3.16Å; I140-S174 WeakPolarHBondContact CD1-OG 3.39Å
141Q93.4Very high93.8Very high16 Ų1623.8 Ų23.88%0.07514%0.136CC..Hα-helixtrans-51.1-48.2-176.6-73.5172.2-21.400113.2D12 E111 V143 L144 T145 V354D12-Q141 PolarHBondContact OD1-NE2 3.13Å; E111-Q141 VanDerWaalsContact O-CG 3.27Å; E111-Q141 WeakPolarHBondContact O-CG 3.32Å; E111-Q141 PolarHBondContact O-N 2.78Å; Q141-V143 VanDerWaalsContact C-N 3.33Å; Q141-V143 PolarHBondContact O-N 2.9Å; Q141-L144 PolarHBondContact O-N 3.48Å; Q141-T145 WeakPolarHBondContact O-CG2 2.98Å; Q141-T145 PolarHBondContact O-N 3.5Å; Q141-T145 VanDerWaalsContact O-N 3.14Å; Q141-V354 HydrophobicContact CB-CG1 4.04Å; Q141-V354 HydrophobicContact CB-CG2 4.03Å; Q141-V354 HydrophobicContact CG-CG1 3.72Å; Q141-V354 HydrophobicContact CG-CG2 4.34Å
142A92.3Very high93.5Very high2 Ų227.8 Ų27.82%0.01716%0.158CC..Hα-helixtrans-64.6-31.5-179.200000114I140 T145 L146 V156 C167I140-A142 VanDerWaalsContact C-N 3.34Å; I140-A142 HydrophobicContact CG2-CB 4.49Å; I140-A142 PolarHBondContact O-N 2.79Å; A142-T145 VanDerWaalsContact C-OG1 3.3Å; A142-T145 WeakPolarHBondContact CA-OG1 3.33Å; A142-T145 PolarHBondContact O-OG1 3.31Å; A142-L146 PolarHBondContact O-N 3.09Å; A142-V156 HydrophobicContact CB-CB 3.99Å; A142-V156 HydrophobicContact CB-CG1 4.32Å; A142-V156 HydrophobicContact CB-CG2 4.1Å; A142-V156 WeakPolarHBondContact O-CG2 3.42Å; A142-C167 HydrophobicContact CB-CB 3.47Å; A142-C167 VanDerWaalsContact CB-CB 3.47Å; A142-C167 VanDerWaalsContact CB-SG 3.51Å
143V93Very high93.5Very high16 Ų1625.6 Ų25.610%0.09715%0.149CC..Hα-helixtrans-71.1-42178178.50000109.6I140 Q141 T145 L146 Y147 V169I140-V143 HydrophobicContact CB-CB 4.49Å; I140-V143 HydrophobicContact CB-CG2 4.09Å; I140-V143 HydrophobicContact CG2-CG2 4.36Å; I140-V143 PolarHBondContact O-N 2.88Å; I140-V143 VanDerWaalsContact O-N 3.07Å; Q141-V143 VanDerWaalsContact C-N 3.33Å; Q141-V143 PolarHBondContact O-N 2.9Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.38Å; V143-L146 PolarHBondContact O-N 2.84Å; V143-Y147 HydrophobicContact CG1-CD1 4.41Å; V143-Y147 HydrophobicContact CG1-CD2 4.15Å; V143-Y147 HydrophobicContact CG1-CE1 3.92Å; V143-Y147 HydrophobicContact CG1-CE2 3.64Å; V143-Y147 PolarHBondContact O-N 3.12Å; V143-V169 HydrophobicContact CG2-CG1 4.39Å; V143-V169 HydrophobicContact CG2-CG2 4.32Å
144L94.6Very high93.5Very high1 Ų125.6 Ų25.61%0.00515%0.149CC..Hα-helixtrans-61.1-38.6176.3-65.7-179.2000112.6L108 T110 A139 I140 Q141 L146 Y147 A148 V354 G357 L361L108-L144 HydrophobicContact CD2-CD1 4.25Å; T110-L144 HydrophobicContact CG2-CD1 3.79Å; A139-L144 HydrophobicContact CB-CD1 3.7Å; A139-L144 HydrophobicContact CB-CD2 3.78Å; A139-L144 HydrophobicContact CB-CG 3.77Å; I140-L144 PolarHBondContact O-N 3.16Å; Q141-L144 PolarHBondContact O-N 3.48Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L144-L146 PolarHBondContact O-N 3.45Å; L144-Y147 PolarHBondContact O-N 3.42Å; L144-A148 PolarHBondContact O-N 3.19Å; L144-V354 HydrophobicContact CD1-CG1 4.3Å; L144-G357 WeakPolarHBondContact O-CA 3.35Å; L144-L361 HydrophobicContact CD2-CB 4.27Å; L144-L361 HydrophobicContact CD2-CD2 3.58Å
145T94.7Very high93.6Very high0 Ų024.6 Ų24.60%014%0.143CC..Hα-helixtrans-64.3-39.1179.850.50000112.3Q141 A142 V143 A148 V156 S304 M353 V354Q141-T145 WeakPolarHBondContact O-CG2 2.98Å; Q141-T145 PolarHBondContact O-N 3.5Å; Q141-T145 VanDerWaalsContact O-N 3.14Å; A142-T145 VanDerWaalsContact C-OG1 3.3Å; A142-T145 WeakPolarHBondContact CA-OG1 3.33Å; A142-T145 PolarHBondContact O-OG1 3.31Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.38Å; T145-A148 WeakPolarHBondContact O-CB 3.37Å; T145-A148 PolarHBondContact O-N 3.31Å; T145-V156 HydrophobicContact CG2-CG1 4.46Å; T145-V156 VanDerWaalsContact OG1-CG1 3.3Å; T145-V156 WeakPolarHBondContact OG1-CG1 2.99Å; T145-V156 VanDerWaalsContact OG1-CG2 3.29Å; T145-V156 WeakPolarHBondContact OG1-CG2 2.96Å; T145-S304 WeakPolarHBondContact CG2-OG 3.25Å; T145-M353 HydrophobicContact CG2-CB 4.12Å; T145-M353 HydrophobicContact CG2-CG 4.25Å; T145-M353 HydrophobicContact CG2-SD 4.18Å; T145-V354 HydrophobicContact CG2-CB 4.36Å; T145-V354 HydrophobicContact CG2-CG2 3.53Å
146L93.9Very high93.7Very high1 Ų124.6 Ų24.61%0.00514%0.142CC..Hα-helixtrans-70.4-40.6175.5-66.1-179.1000111.7A142 V143 L144 A148 Q149 G150 L151 V156 V169 V302A142-L146 PolarHBondContact O-N 3.09Å; V143-L146 PolarHBondContact O-N 2.84Å; L144-L146 VanDerWaalsContact C-N 3.35Å; L144-L146 PolarHBondContact O-N 3.45Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.08Å; L146-Q149 CarbonylContact O-C 3.59Å; L146-Q149 WeakPolarHBondContact O-CA 3.39Å; L146-Q149 PolarHBondContact O-N 2.98Å; L146-G150 PolarHBondContact O-N 3.38Å; L146-G150 VanDerWaalsContact O-N 3.17Å; L146-L151 CarbonylContact C-O 3.55Å; L146-L151 HydrophobicContact CB-CB 4.24Å; L146-L151 WeakPolarHBondContact CB-O 3.44Å; L146-L151 HydrophobicContact CD2-CB 4.33Å; L146-L151 HydrophobicContact CD2-CD1 4.44Å; L146-L151 PolarHBondContact O-N 3.31Å; L146-V156 HydrophobicContact CD1-CG2 4.07Å; L146-V156 HydrophobicContact CD2-CG2 3.67Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; L146-V169 HydrophobicContact CD1-CB 3.42Å; L146-V169 VanDerWaalsContact CD1-CB 3.42Å; L146-V169 HydrophobicContact CD1-CG1 3.9Å; L146-V169 HydrophobicContact CD1-CG2 3.67Å; L146-V302 HydrophobicContact CD2-CB 3.97Å; L146-V302 HydrophobicContact CD2-CG2 3.5Å
147Y90.1Very high93.8Very high80 Ų8024.8 Ų24.831%0.31414%0.143SC..Hα-helixtrans-61-35.4175.8-71-3.8000112.4V143 L144 Q149 G150 L152 L361V143-Y147 HydrophobicContact CG1-CD1 4.41Å; V143-Y147 HydrophobicContact CG1-CD2 4.15Å; V143-Y147 HydrophobicContact CG1-CE1 3.92Å; V143-Y147 HydrophobicContact CG1-CE2 3.64Å; V143-Y147 PolarHBondContact O-N 3.12Å; L144-Y147 PolarHBondContact O-N 3.42Å; Y147-Q149 PolarHBondContact O-N 2.91Å; Y147-Q149 VanDerWaalsContact O-N 3.14Å; Y147-G150 PolarHBondContact O-N 3Å; Y147-L152 HydrophobicContact CD1-CD2 4.08Å; Y147-L152 HydrophobicContact CE1-CD2 3.56Å; Y147-L361 HydrophobicContact CD2-CD1 4.41Å; Y147-L361 HydrophobicContact CD2-CD2 4.44Å
148A90.5Very high93.8Very high30 Ų3023.4 Ų23.425%0.24814%0.139CC..THydrogen-bonded Turntrans-60.4-22.3174.500000113.3L144 T145 L146 M353L144-A148 PolarHBondContact O-N 3.19Å; T145-A148 WeakPolarHBondContact O-CB 3.37Å; T145-A148 PolarHBondContact O-N 3.31Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.08Å; A148-M353 HydrophobicContact CB-CG 3.85Å
149Q90.6Very high94Very high52 Ų5223.2 Ų23.224%0.24314%0.139CC..THydrogen-bonded Turntrans-103.1-0.4176.5-65.1-167.9-40.500113.7L146 Y147 L151 E345 P347 M353L146-Q149 CarbonylContact O-C 3.59Å; L146-Q149 WeakPolarHBondContact O-CA 3.39Å; L146-Q149 PolarHBondContact O-N 2.98Å; Y147-Q149 PolarHBondContact O-N 2.91Å; Y147-Q149 VanDerWaalsContact O-N 3.14Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 HydrophobicContact CB-CD1 4.3Å; Q149-L151 HydrophobicContact CB-CG 4.17Å; Q149-E345 PolarHBondContact NE2-OE2 3.33Å; Q149-E345 VanDerWaalsContact NE2-OE2 3.14Å; Q149-E345 PolarHBondContact OE1-OE2 3.35Å; Q149-P347 HydrophobicContact CG-CG 4.44Å; Q149-M353 HydrophobicContact CG-SD 4.32Å
150G90.3Very high94Very high68 Ų6824 Ų2470%0.70115%0.147SC*.THydrogen-bonded Turntrans70.824.6-173.800000113.6L146 Y147L146-G150 PolarHBondContact O-N 3.38Å; L146-G150 VanDerWaalsContact O-N 3.17Å; Y147-G150 PolarHBondContact O-N 3Å
151L93.1Very high94.1Very high29 Ų2923.4 Ų23.415%0.15215%0.145CC..  trans-101.6141.9175.4-61.5177.8000110.4L146 Q149 H300 V302L146-L151 CarbonylContact C-O 3.55Å; L146-L151 HydrophobicContact CB-CB 4.24Å; L146-L151 WeakPolarHBondContact CB-O 3.44Å; L146-L151 HydrophobicContact CD2-CB 4.33Å; L146-L151 HydrophobicContact CD2-CD1 4.44Å; L146-L151 PolarHBondContact O-N 3.31Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 HydrophobicContact CB-CD1 4.3Å; Q149-L151 HydrophobicContact CB-CG 4.17Å; L151-H300 HydrophobicContact CD1-CB 4.38Å; L151-V302 HydrophobicContact CD1-CG2 3.96Å
152L92.2Very high94Very high99 Ų9922.8 Ų22.852%0.51814%0.142SC..SBendtrans-106.9-25.2172.7-60.9-179.9000112.3Y147 E171 G172Y147-L152 HydrophobicContact CD1-CD2 4.08Å; Y147-L152 HydrophobicContact CE1-CD2 3.56Å; L152-E171 PolarHBondContact O-N 2.86Å; L152-G172 PolarHBondContact O-N 3.09Å
153T95.6Very high94.1Very high22 Ų2223.2 Ų23.214%0.13515%0.145CC..SBendtrans-123.6135.1-179.8-62.10000109.3V169 Y170 E171 E296 F297T153-V169 CarbonylContact C-O 3.5Å; T153-V169 VanDerWaalsContact CA-O 3.29Å; T153-V169 WeakPolarHBondContact CA-O 3.48Å; T153-Y170 HydrophobicContact CG2-CD2 3.75Å; T153-Y170 HydrophobicContact CG2-CE2 4.34Å; T153-E171 PolarHBondContact OG1-N 2.79Å; T153-E296 HydrophobicContact CG2-CB 4.41Å; T153-E296 HydrophobicContact CG2-CG 3.93Å; T153-F297 HydrophobicContact CG2-CD1 4.2Å; T153-F297 HydrophobicContact CG2-CE1 3.87Å
154G96.9Very high94.2Very high0 Ų022.5 Ų22.50%014%0.14CC..EExtended strand (participates in β ladder)trans166.2179.4-179.800000112.7V169 H300G154-V169 PolarHBondContact N-O 3.08Å; G154-V169 PolarHBondContact O-N 3.23Å; G154-V169 VanDerWaalsContact O-O 3.13Å; G154-H300 CarbonylContact C-O 3.53Å; G154-H300 WeakPolarHBondContact CA-O 3.37Å
155V98.1Very high94.2Very high0 Ų022.6 Ų22.60%014%0.141CC..EExtended strand (participates in β ladder)trans-120.7120.8174.2-176.30000109.1I166 P168 L282 I286 F297 H300 I301 V302V155-I166 HydrophobicContact CG1-CG2 3.57Å; V155-P168 HydrophobicContact CG1-CG 4.47Å; V155-P168 HydrophobicContact CG2-CB 4.21Å; V155-P168 HydrophobicContact CG2-CG 4.38Å; V155-L282 HydrophobicContact CB-CD1 4.37Å; V155-L282 HydrophobicContact CG1-CD1 3.57Å; V155-I286 HydrophobicContact CG2-CD1 4.44Å; V155-I286 HydrophobicContact CG2-CG1 4.02Å; V155-F297 HydrophobicContact CG2-CB 3.6Å; V155-F297 HydrophobicContact CG2-CD1 3.67Å; V155-F297 HydrophobicContact CG2-CD2 4.18Å; V155-F297 HydrophobicContact CG2-CE1 4.38Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; V155-H300 PolarHBondContact N-O 2.74Å; V155-I301 CarbonylContact O-C 3.56Å; V155-I301 WeakPolarHBondContact O-CA 3.34Å; V155-V302 PolarHBondContact O-N 3.48Å
156V97.8Very high94.4Very high1 Ų122.6 Ų22.61%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-93.4126.5178.6-177.60000109.2A142 T145 L146 D158 I166 C167 V302A142-V156 HydrophobicContact CB-CB 3.99Å; A142-V156 HydrophobicContact CB-CG1 4.32Å; A142-V156 HydrophobicContact CB-CG2 4.1Å; A142-V156 WeakPolarHBondContact O-CG2 3.42Å; T145-V156 HydrophobicContact CG2-CG1 4.46Å; T145-V156 VanDerWaalsContact OG1-CG1 3.3Å; T145-V156 WeakPolarHBondContact OG1-CG1 2.99Å; T145-V156 VanDerWaalsContact OG1-CG2 3.29Å; T145-V156 WeakPolarHBondContact OG1-CG2 2.96Å; L146-V156 HydrophobicContact CD1-CG2 4.07Å; L146-V156 HydrophobicContact CD2-CG2 3.67Å; L146-V156 HydrophobicContact CG-CG2 3.55Å; V156-D158 HydrophobicContact CG1-CB 4.12Å; V156-I166 WeakPolarHBondContact O-CA 3.39Å; V156-C167 PolarHBondContact N-O 3.03Å; V156-C167 PolarHBondContact O-N 2.9Å; V156-V302 WeakPolarHBondContact CA-O 3.36Å
157V97.9Very high94.5Very high3 Ų322.6 Ų22.62%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-100.896.2166.1-174.80000107.1T164 H165 V278 L282 I301 V302 L303 S304V157-T164 HydrophobicContact CG1-CG2 4.42Å; V157-H165 WeakPolarHBondContact CA-O 3.47Å; V157-V278 HydrophobicContact CG1-CG2 3.8Å; V157-L282 HydrophobicContact CG2-CD1 4.01Å; V157-L282 HydrophobicContact CG2-CD2 3.81Å; V157-L282 HydrophobicContact CG2-CG 4.48Å; V157-I301 HydrophobicContact CG2-CG2 4.12Å; V157-V302 PolarHBondContact N-O 3.16Å; V157-L303 HydrophobicContact CB-CD2 3.85Å; V157-L303 HydrophobicContact CG1-CD2 4.4Å; V157-L303 HydrophobicContact CG2-CD2 4.23Å; V157-S304 PolarHBondContact O-N 3.37Å
158D96.4Very high94.8Very high18 Ų1818.8 Ų18.810%0.09613%0.126CC..EExtended strand (participates in β ladder)trans-99.6107.3179.3-17247000109.7V156 T164 H165 S304 G305V156-D158 HydrophobicContact CG1-CB 4.12Å; D158-T164 CarbonylContact O-C 3.59Å; D158-T164 VanDerWaalsContact O-CA 3.27Å; D158-T164 WeakPolarHBondContact O-CA 3.23Å; D158-H165 PolarHBondContact N-O 2.87Å; D158-H165 PolarHBondContact O-N 2.93Å; D158-S304 WeakPolarHBondContact CA-O 3.29Å; D158-S304 VanDerWaalsContact OD1-C 3.27Å; D158-S304 VanDerWaalsContact OD1-CB 3.28Å; D158-S304 WeakPolarHBondContact OD1-CB 3.28Å; D158-S304 PolarHBondContact OD1-OG 3.03Å; D158-G305 PolarHBondContact OD1-N 3.05Å
159S96.9Very high95.1Very high4 Ų417.4 Ų17.43%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-114104.5179.5-167.50000110.7T164 S304 G305 G306 S307S159-T164 WeakPolarHBondContact CB-OG1 3.38Å; S159-T164 PolarHBondContact OG-OG1 3.08Å; S159-S304 PolarHBondContact N-O 3.04Å; S159-G305 CarbonylContact O-C 3.41Å; S159-G305 WeakPolarHBondContact O-CA 3.39Å; S159-G306 PolarHBondContact O-N 3.39Å; S159-S307 WeakPolarHBondContact O-CB 3.45Å; S159-S307 PolarHBondContact O-N 3.43Å; S159-S307 VanDerWaalsContact OG-CB 3.29Å; S159-S307 WeakPolarHBondContact OG-CB 3.34Å
160G94.4Very high95.3Very high22 Ų2219.4 Ų19.423%0.22712%0.12CC..  trans-97.5-143.6-174.100000114V163 A185 G186 S307G160-V163 PolarHBondContact N-O 2.86Å; G160-V163 VanDerWaalsContact N-O 3.08Å; G160-A185 WeakPolarHBondContact O-CB 3.39Å; G160-G186 PolarHBondContact O-N 2.79Å; G160-S307 PolarHBondContact O-OG 3.26Å
161D93.6Very high95.4Very high28 Ų2822 Ų2215%0.1511%0.114CC..SBendtrans-86.3-45.5174.6-175.459.7000112.4G16 A185 G186 R187G16-D161 VanDerWaalsContact CA-OD2 3.32Å; G16-D161 WeakPolarHBondContact CA-OD2 3.44Å; D161-A185 WeakPolarHBondContact O-CB 3.28Å; D161-G186 PolarHBondContact O-N 3.18Å; D161-G186 VanDerWaalsContact O-N 3.15Å; D161-R187 WeakPolarHBondContact O-CB 3.32Å; D161-R187 PolarHBondContact O-N 2.98Å; D161-R187 IonicContact OD2-CZ 3.25Å; D161-R187 IonicContact OD2-NE 2.9Å; D161-R187 PolarHBondContact OD2-NE 2.9Å; D161-R187 VanDerWaalsContact OD2-NE 3.12Å; D161-R187 IonicContact OD2-NH2 3.82Å; D161-R187 PolarHBondContact OD2-NH2 3.44Å
162G91.6Very high95.1Very high3 Ų321.2 Ų21.23%0.03111%0.113CC..SBendtrans-105.9-16.3-174.400000115.8N76N76-G162 PolarHBondContact OD1-O 3.37Å; N76-G162 VanDerWaalsContact OD1-O 3.05Å
163V93.4Very high94.9Very high10 Ų1023.7 Ų23.76%0.06112%0.12CC..  trans-155.2150.5-173.662.40000111.3N76 G160 H165 R181N76-V163 HydrophobicContact CB-CB 4.23Å; G160-V163 PolarHBondContact N-O 2.86Å; G160-V163 VanDerWaalsContact N-O 3.08Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.38Å; V163-H165 VanDerWaalsContact CG2-CE1 3.47Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.32Å; V163-R181 HydrophobicContact CG2-CG 3.46Å; V163-R181 VanDerWaalsContact CG2-CG 3.46Å
164T95.7Very high94.7Very high1 Ų124 Ų241%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-112.8127.3168-59.80000109.8V157 D158 S159 L182 I184 V278V157-T164 HydrophobicContact CG1-CG2 4.42Å; D158-T164 CarbonylContact O-C 3.59Å; D158-T164 VanDerWaalsContact O-CA 3.27Å; D158-T164 WeakPolarHBondContact O-CA 3.23Å; S159-T164 WeakPolarHBondContact CB-OG1 3.38Å; S159-T164 PolarHBondContact OG-OG1 3.08Å; T164-L182 PolarHBondContact N-O 3.49Å; T164-L182 PolarHBondContact O-N 3.27Å; T164-I184 WeakPolarHBondContact CB-O 3.17Å; T164-I184 PolarHBondContact OG1-O 3.24Å; T164-V278 HydrophobicContact CG2-CG2 4.25Å
165H95.5Very high94.5Very high4 Ų425.9 Ų25.92%0.01913%0.133CC..EExtended strand (participates in β ladder)trans-114142.7176.5-69.6103.8000111.2P113 V157 D158 V163P113-H165 HydrophobicContact CG-CB 4.04Å; V157-H165 WeakPolarHBondContact CA-O 3.47Å; D158-H165 PolarHBondContact N-O 2.87Å; D158-H165 PolarHBondContact O-N 2.93Å; V163-H165 WeakPolarHBondContact CG1-CE1 3.38Å; V163-H165 VanDerWaalsContact CG2-CE1 3.47Å; V163-H165 WeakPolarHBondContact CG2-CE1 3.32Å
166I97.3Very high94.1Very high0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-116108.6168.6-55.6-172.8000106.8V155 V156 T179 R180 V278 L281 L282 T285V155-I166 HydrophobicContact CG1-CG2 3.57Å; V156-I166 WeakPolarHBondContact O-CA 3.39Å; I166-T179 WeakPolarHBondContact O-CA 3.26Å; I166-R180 PolarHBondContact N-O 2.79Å; I166-R180 PolarHBondContact O-N 3.12Å; I166-V278 HydrophobicContact CD1-CG2 4.48Å; I166-L281 HydrophobicContact CD1-CB 3.76Å; I166-L281 HydrophobicContact CD1-CD2 3.86Å; I166-L281 HydrophobicContact CD1-CG 3.76Å; I166-L281 HydrophobicContact CG1-CD2 4.33Å; I166-L282 VanDerWaalsContact CD1-CA 3.49Å; I166-L282 HydrophobicContact CD1-CB 3.75Å; I166-L282 HydrophobicContact CD1-CD1 4.48Å; I166-L282 VanDerWaalsContact CD1-N 3.28Å; I166-L282 HydrophobicContact CG2-CD1 3.68Å; I166-T285 HydrophobicContact CG2-CG2 3.85Å
167C96.8Very high93.8Very high1 Ų136.3 Ų36.31%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-121.7105-171.7-173.30000110.4P113 A142 V156 T179P113-C167 HydrophobicContact CG-CB 4.35Å; A142-C167 HydrophobicContact CB-CB 3.47Å; A142-C167 VanDerWaalsContact CB-CB 3.47Å; A142-C167 VanDerWaalsContact CB-SG 3.51Å; V156-C167 PolarHBondContact N-O 3.03Å; V156-C167 PolarHBondContact O-N 2.9Å; C167-T179 HydrophobicContact CB-CG2 4.4Å
168P97.1Very high93.7Very high0 Ų036.7 Ų36.70%019%0.19CC..EExtended strand (participates in β ladder)trans-69.8136.5167.4-20.235.3000111V155 L175 L178 T285 F297V155-P168 HydrophobicContact CG1-CG 4.47Å; V155-P168 HydrophobicContact CG2-CB 4.21Å; V155-P168 HydrophobicContact CG2-CG 4.38Å; P168-L175 HydrophobicContact CB-CB 4.45Å; P168-L175 HydrophobicContact CB-CD1 4.23Å; P168-L175 PolarHBondContact O-N 3.1Å; 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 4.42Å; P168-F297 HydrophobicContact CB-CE2 4.21Å; P168-F297 HydrophobicContact CB-CZ 3.99Å
169V96Very high93.6Very high0 Ų036.2 Ų36.20%019%0.188CC..EExtended strand (participates in β ladder)trans-129.9132.7175.4-1770000107.6V143 L146 T153 G154 F173 F297V143-V169 HydrophobicContact CG2-CG1 4.39Å; V143-V169 HydrophobicContact CG2-CG2 4.32Å; L146-V169 HydrophobicContact CD1-CB 3.42Å; L146-V169 VanDerWaalsContact CD1-CB 3.42Å; L146-V169 HydrophobicContact CD1-CG1 3.9Å; L146-V169 HydrophobicContact CD1-CG2 3.67Å; T153-V169 CarbonylContact C-O 3.5Å; T153-V169 VanDerWaalsContact CA-O 3.29Å; T153-V169 WeakPolarHBondContact CA-O 3.48Å; G154-V169 PolarHBondContact N-O 3.08Å; G154-V169 PolarHBondContact O-N 3.23Å; G154-V169 VanDerWaalsContact O-O 3.13Å; V169-F173 CarbonylContact C-O 3.57Å; V169-F173 WeakPolarHBondContact CA-O 3.24Å; V169-F297 WeakPolarHBondContact O-CE1 3.25Å
170Y95Very high93.6Very high94 Ų9441.7 Ų41.737%0.36921%0.208SC..EExtended strand (participates in β ladder)trans-126.9122.6178.7-175.1-98000109.3T153 G172 F173 T293T153-Y170 HydrophobicContact CG2-CD2 3.75Å; T153-Y170 HydrophobicContact CG2-CE2 4.34Å; Y170-G172 PolarHBondContact O-N 2.91Å; Y170-G172 VanDerWaalsContact O-N 3.13Å; Y170-F173 PolarHBondContact N-O 3.27Å; Y170-F173 PolarHBondContact O-N 3.25Å; Y170-T293 HydrophobicContact CD2-CG2 4.03Å; Y170-T293 HydrophobicContact CE2-CG2 3.84Å
171E92.1Very high93.5Very high123 Ų12344.5 Ų44.558%0.57521%0.212SC*.THydrogen-bonded Turntrans49.538.2-178.8-61.4-168.5158.700114L152 T153 F173L152-E171 PolarHBondContact O-N 2.86Å; T153-E171 PolarHBondContact OG1-N 2.79Å; E171-F173 VanDerWaalsContact C-N 3.32Å; E171-F173 WeakPolarHBondContact O-CD2 3.3Å; E171-F173 PolarHBondContact O-N 2.83Å
172G87.2Confident93.5Very high13 Ų1343.6 Ų43.613%0.13421%0.207CC..THydrogen-bonded Turntrans85.4-4.5-179.700000115L152 Y170L152-G172 PolarHBondContact O-N 3.09Å; Y170-G172 PolarHBondContact O-N 2.91Å; Y170-G172 VanDerWaalsContact O-N 3.13Å
173F88.7Confident93.5Very high151 Ų15147.1 Ų47.166%0.66223%0.225SC*.EExtended strand (participates in β ladder)trans-100121.5176.6-60.3-80.7000111V169 Y170 E171V169-F173 CarbonylContact C-O 3.57Å; V169-F173 WeakPolarHBondContact CA-O 3.24Å; Y170-F173 PolarHBondContact N-O 3.27Å; Y170-F173 PolarHBondContact O-N 3.25Å; E171-F173 VanDerWaalsContact C-N 3.32Å; E171-F173 WeakPolarHBondContact O-CD2 3.3Å; E171-F173 PolarHBondContact O-N 2.83Å
174S91.3Very high93.6Very high28 Ų2846.7 Ų46.720%0.19622%0.222CC..EExtended strand (participates in β ladder)trans-64.7141.317061.30000110.1I140 P176I140-S174 WeakPolarHBondContact CD1-OG 3.39Å; S174-P176 VanDerWaalsContact O-CD 3.23Å; S174-P176 WeakPolarHBondContact O-CD 3.08Å
175L92.2Very high93.6Very high39 Ų3946.6 Ų46.620%0.20422%0.222CC..  trans-100.394.9177.9-57.6179.9000110.1P168 H177 L178 T179 F297P168-L175 HydrophobicContact CB-CB 4.45Å; P168-L175 HydrophobicContact CB-CD1 4.23Å; P168-L175 PolarHBondContact O-N 3.1Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.81Å; L175-L178 HydrophobicContact CB-CB 4.31Å; L175-L178 HydrophobicContact CB-CD1 4.29Å; L175-L178 HydrophobicContact CD1-CD1 3.8Å; L175-L178 PolarHBondContact O-N 3.01Å; L175-T179 PolarHBondContact O-N 3.23Å; L175-T179 VanDerWaalsContact O-N 3.15Å; L175-T179 PolarHBondContact O-OG1 2.76Å; L175-F297 HydrophobicContact CD1-CZ 4.08Å
176P89.9Confident93.6Very high82 Ų8246.5 Ų46.553%0.53222%0.222SC..THydrogen-bonded Turntrans-67.5-34-169.9-20.435.7000112.4S174 L178 T179S174-P176 VanDerWaalsContact O-CD 3.23Å; S174-P176 WeakPolarHBondContact O-CD 3.08Å; P176-L178 PolarHBondContact O-N 3.13Å; P176-T179 PolarHBondContact O-N 3.4Å
177H91.6Very high93.4Very high138 Ų13848 Ų4864%0.63923%0.228SC*.THydrogen-bonded Turntrans-68.3-19.6179.764.1-82.6000113.7L175L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.81Å
178L95.1Very high93.4Very high12 Ų1249.7 Ų49.76%0.06324%0.236CC..THydrogen-bonded Turntrans-100.8-12.7174.1-66175.5000112.9P168 L175 P176 R180 T285 A288 A289P168-L178 HydrophobicContact CG-CB 3.91Å; L175-L178 HydrophobicContact CB-CB 4.31Å; L175-L178 HydrophobicContact CB-CD1 4.29Å; L175-L178 HydrophobicContact CD1-CD1 3.8Å; L175-L178 PolarHBondContact O-N 3.01Å; P176-L178 PolarHBondContact O-N 3.13Å; L178-R180 PolarHBondContact O-N 3.15Å; L178-T285 VanDerWaalsContact O-CG2 3.25Å; L178-T285 WeakPolarHBondContact O-CG2 3.39Å; L178-A288 HydrophobicContact CD2-CB 3.69Å; L178-A289 HydrophobicContact CD1-CB 3.71Å
179T95.3Very high93.4Very high8 Ų849.7 Ų49.75%0.04924%0.236CC..  trans-65.5127.1-177.9-62.10000109.9P113 M114 I166 C167 L175 P176P113-T179 HydrophobicContact CB-CG2 3.66Å; M114-T179 HydrophobicContact CE-CG2 4.18Å; M114-T179 HydrophobicContact CG-CG2 4.26Å; M114-T179 HydrophobicContact SD-CG2 4.47Å; I166-T179 WeakPolarHBondContact O-CA 3.26Å; C167-T179 HydrophobicContact CB-CG2 4.4Å; L175-T179 PolarHBondContact O-N 3.23Å; L175-T179 VanDerWaalsContact O-N 3.15Å; L175-T179 PolarHBondContact O-OG1 2.76Å; P176-T179 PolarHBondContact O-N 3.4Å
180R95.3Very high93.4Very high119 Ų11949.7 Ų49.745%0.44924%0.236SC..EExtended strand (participates in β ladder)trans-115.6151.9177.4-59.2-57.7-178.6176-1.4110.6I166 L178 L281 T285I166-R180 PolarHBondContact N-O 2.79Å; I166-R180 PolarHBondContact O-N 3.12Å; L178-R180 PolarHBondContact O-N 3.15Å; R180-L281 HydrophobicContact CB-CD1 3.92Å; R180-L281 HydrophobicContact CB-CD2 4.11Å; R180-L281 HydrophobicContact CB-CG 3.98Å; R180-L281 HydrophobicContact CG-CD1 4.24Å; R180-T285 HydrophobicContact CG-CG2 4.45Å; R180-T285 WeakPolarHBondContact CG-OG1 3.31Å
181R92.9Very high93.5Very high81 Ų8151.5 Ų51.531%0.30624%0.242SC..EExtended strand (participates in β ladder)trans-126.6136.8-178.9177.3172.7159.2-177.9-17109.2N76 M114 V163 D183N76-R181 PolarHBondContact ND2-NH2 3.27Å; N76-R181 VanDerWaalsContact ND2-NH2 3.16Å; M114-R181 HydrophobicContact CE-CB 4.15Å; V163-R181 HydrophobicContact CG2-CG 3.46Å; V163-R181 VanDerWaalsContact CG2-CG 3.46Å; R181-D183 IonicContact CZ-OD1 3.41Å; R181-D183 IonicContact NE-OD1 3.47Å; R181-D183 PolarHBondContact NE-OD1 3.42Å; R181-D183 IonicContact NH2-OD1 3.16Å; R181-D183 PolarHBondContact NH2-OD1 3.26Å; R181-D183 IonicContact NH2-OD2 2.78Å
182L93.4Very high93.7Very high9 Ų947 Ų475%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-118121.3170.4-177.668.5000107.7T164 I184 P268 V278 L281T164-L182 PolarHBondContact N-O 3.49Å; T164-L182 PolarHBondContact O-N 3.27Å; L182-I184 HydrophobicContact CD1-CD1 4.2Å; L182-I184 HydrophobicContact CD1-CG1 4.26Å; L182-I184 HydrophobicContact CD2-CB 4.15Å; L182-I184 HydrophobicContact CD2-CD1 4.47Å; L182-I184 HydrophobicContact CD2-CG1 4.49Å; L182-I184 HydrophobicContact CG-CB 4.01Å; L182-I184 HydrophobicContact CG-CD1 4.34Å; L182-I184 HydrophobicContact CG-CG1 4.05Å; L182-I184 PolarHBondContact O-N 2.97Å; L182-P268 HydrophobicContact CD1-CG 4.29Å; L182-V278 HydrophobicContact CD2-CB 4.4Å; L182-L281 HydrophobicContact CB-CD2 3.86Å
183D91.6Very high94.2Very high77 Ų7746.4 Ų46.441%0.41221%0.214SC..SBendtrans-79.847.3178.2-72.3-26.3000111.5R181R181-D183 IonicContact CZ-OD1 3.41Å; R181-D183 IonicContact NE-OD1 3.47Å; R181-D183 PolarHBondContact NE-OD1 3.42Å; R181-D183 IonicContact NH2-OD1 3.16Å; R181-D183 PolarHBondContact NH2-OD1 3.26Å; R181-D183 IonicContact NH2-OD2 2.78Å
184I94.9Very high94.5Very high0 Ų039.2 Ų39.20%018%0.183CC..  trans-138.4124.5174.8-53.3-177.9000107.8T164 L182 D188 A264 L265 P268 I271 V273T164-I184 WeakPolarHBondContact CB-O 3.17Å; T164-I184 PolarHBondContact OG1-O 3.24Å; L182-I184 HydrophobicContact CD1-CD1 4.2Å; L182-I184 HydrophobicContact CD1-CG1 4.26Å; L182-I184 HydrophobicContact CD2-CB 4.15Å; L182-I184 HydrophobicContact CD2-CD1 4.47Å; L182-I184 HydrophobicContact CD2-CG1 4.49Å; L182-I184 HydrophobicContact CG-CB 4.01Å; L182-I184 HydrophobicContact CG-CD1 4.34Å; L182-I184 HydrophobicContact CG-CG1 4.05Å; L182-I184 PolarHBondContact O-N 2.97Å; I184-D188 WeakPolarHBondContact CA-OD2 3.39Å; I184-D188 HydrophobicContact CG2-CB 4.28Å; I184-A264 WeakPolarHBondContact CD1-O 3.49Å; I184-L265 HydrophobicContact CG2-CD2 4.05Å; I184-P268 HydrophobicContact CD1-CB 3.53Å; I184-P268 HydrophobicContact CD1-CG 3.76Å; I184-I271 HydrophobicContact CD1-CD1 3.88Å; I184-I271 HydrophobicContact CD1-CG1 4.34Å; I184-I271 HydrophobicContact CG1-CD1 3.95Å; I184-I271 HydrophobicContact CG2-CD1 3.96Å; I184-V273 HydrophobicContact CD1-CB 3.99Å; I184-V273 HydrophobicContact CD1-CG1 3.93Å; I184-V273 HydrophobicContact CD1-CG2 4.4Å; I184-V273 HydrophobicContact CG1-CB 4.28Å; I184-V273 HydrophobicContact CG1-CG1 3.97Å; I184-V273 HydrophobicContact CG1-CG2 4.28Å
185A95.6Very high94.7Very high0 Ų042.1 Ų42.10%019%0.192CC..SBendtrans-154.1-155.1175.100000112G160 D161 R187 D188 I189G160-A185 WeakPolarHBondContact O-CB 3.39Å; D161-A185 WeakPolarHBondContact O-CB 3.28Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 3.19Å; A185-D188 PolarHBondContact N-OD2 3.39Å; A185-D188 PolarHBondContact O-N 2.95Å; A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 3.06Å; A185-I189 VanDerWaalsContact O-N 3.1Å
186G95.9Very high94.9Very high1 Ų140.9 Ų40.91%0.0119%0.185CC..Hα-helixtrans-57.7-36.6-172.200000114.6G160 D161 T190 K217 S307G160-G186 PolarHBondContact O-N 2.79Å; D161-G186 PolarHBondContact O-N 3.18Å; D161-G186 VanDerWaalsContact O-N 3.15Å; G186-T190 PolarHBondContact O-N 2.84Å; G186-T190 PolarHBondContact O-OG1 3.47Å; G186-T190 VanDerWaalsContact O-OG1 3.08Å; G186-K217 PolarHBondContact O-NZ 3.47Å; G186-S307 WeakPolarHBondContact CA-OG 3.26Å; G186-S307 PolarHBondContact N-OG 3.28Å; G186-S307 VanDerWaalsContact N-OG 3.12Å
187R94.3Very high95.2Very high33 Ų3337 Ų3713%0.12516%0.16CC..Hα-helixtrans-68.9-43.1-179.8-176.5174.2-62.4-169.60.2111.5D161 A185 T190 R191 F210D161-R187 WeakPolarHBondContact O-CB 3.32Å; D161-R187 PolarHBondContact O-N 2.98Å; D161-R187 IonicContact OD2-CZ 3.25Å; D161-R187 IonicContact OD2-NE 2.9Å; D161-R187 PolarHBondContact OD2-NE 2.9Å; D161-R187 VanDerWaalsContact OD2-NE 3.12Å; D161-R187 IonicContact OD2-NH2 3.82Å; D161-R187 PolarHBondContact OD2-NH2 3.44Å; A185-R187 VanDerWaalsContact C-N 3.29Å; A185-R187 PolarHBondContact O-N 3.19Å; R187-T190 PolarHBondContact O-N 3.49Å; R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 3.26Å; R187-F210 HydrophobicContact CB-CZ 4.44Å; R187-F210 HydrophobicContact CG-CE2 4.26Å; R187-F210 HydrophobicContact CG-CZ 3.85Å
188D95.8Very high95.3Very high35 Ų3534.4 Ų34.419%0.18715%0.15CC..Hα-helixtrans-68.3-40.2179.6-49.9-63.2000110.9I184 A185 T190 R191 Y192 I271I184-D188 WeakPolarHBondContact CA-OD2 3.39Å; I184-D188 HydrophobicContact CG2-CB 4.28Å; A185-D188 PolarHBondContact N-OD2 3.39Å; A185-D188 PolarHBondContact O-N 2.95Å; D188-T190 PolarHBondContact O-N 2.96Å; D188-R191 PolarHBondContact O-N 3.26Å; D188-Y192 WeakPolarHBondContact O-CB 3.49Å; D188-Y192 PolarHBondContact O-N 3.37Å; D188-I271 HydrophobicContact CB-CD1 4.02Å
189I97.4Very high95.2Very high0 Ų040.3 Ų40.30%018%0.181CC..Hα-helixtrans-63-42.4174.1-60163.4000110.7A185 R191 Y192 L193 K217 A261 P262 L265 Y310A185-I189 VanDerWaalsContact O-CG1 3.28Å; A185-I189 WeakPolarHBondContact O-CG1 3.28Å; A185-I189 PolarHBondContact O-N 3.06Å; A185-I189 VanDerWaalsContact O-N 3.1Å; I189-R191 PolarHBondContact O-N 3.14Å; I189-Y192 PolarHBondContact O-N 2.91Å; I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 PolarHBondContact O-N 2.98Å; I189-K217 HydrophobicContact CB-CD 4.19Å; I189-K217 HydrophobicContact CG2-CD 3.76Å; I189-K217 HydrophobicContact CG2-CG 4.2Å; I189-A261 HydrophobicContact CG2-CB 4.13Å; I189-P262 HydrophobicContact CG2-CG 4.49Å; I189-L265 HydrophobicContact CD1-CD1 3.77Å; I189-L265 HydrophobicContact CD1-CD2 4.03Å; I189-L265 HydrophobicContact CD1-CG 3.74Å; I189-L265 HydrophobicContact CG1-CG 4.46Å; I189-Y310 HydrophobicContact CD1-CE2 3.82Å; I189-Y310 WeakPolarHBondContact CD1-OH 3.43Å
190T96.9Very high95.1Very high0 Ų044.5 Ų44.50%020%0.196CC..Hα-helixtrans-60.6-45.7174.3-63.30000110.9G186 R187 D188 Y192 L193 I194 F210 V213 R214 K217G186-T190 PolarHBondContact O-N 2.84Å; G186-T190 PolarHBondContact O-OG1 3.47Å; G186-T190 VanDerWaalsContact O-OG1 3.08Å; R187-T190 PolarHBondContact O-N 3.49Å; D188-T190 PolarHBondContact O-N 2.96Å; T190-Y192 VanDerWaalsContact C-N 3.29Å; T190-Y192 PolarHBondContact O-N 3.08Å; T190-L193 PolarHBondContact O-N 3.27Å; T190-I194 HydrophobicContact CG2-CD1 4.47Å; T190-I194 WeakPolarHBondContact O-CG1 3.29Å; T190-I194 PolarHBondContact O-N 2.82Å; T190-F210 HydrophobicContact CG2-CD1 4.45Å; T190-F210 HydrophobicContact CG2-CD2 3.78Å; T190-F210 HydrophobicContact CG2-CE1 4.19Å; T190-F210 HydrophobicContact CG2-CE2 3.46Å; T190-F210 VanDerWaalsContact CG2-CE2 3.46Å; T190-F210 HydrophobicContact CG2-CG 4.25Å; T190-F210 HydrophobicContact CG2-CZ 3.68Å; T190-F210 WeakPolarHBondContact CG2-O 2.99Å; T190-V213 HydrophobicContact CG2-CB 4.37Å; T190-V213 HydrophobicContact CG2-CG1 4.31Å; T190-R214 HydrophobicContact CG2-CB 4.06Å; T190-K217 PolarHBondContact OG1-NZ 3.21Å
191R95.1Very high95Very high133 Ų13341.8 Ų41.850%0.50221%0.206SC..Hα-helixtrans-61.7-38.8177.2-71.6179.1-179.7-179.2-1.7112.1R187 D188 I189 I194 K195 F210R187-R191 WeakPolarHBondContact O-CG 3.48Å; R187-R191 PolarHBondContact O-N 3.26Å; D188-R191 PolarHBondContact O-N 3.26Å; I189-R191 PolarHBondContact O-N 3.14Å; R191-I194 WeakPolarHBondContact O-CB 3.27Å; R191-I194 PolarHBondContact O-N 3.37Å; R191-K195 PolarHBondContact O-N 3.07Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.94Å
192Y96.9Very high95Very high28 Ų2840.9 Ų40.911%0.1120%0.203CC..Hα-helixtrans-69-40.9178.3-174.3-140.3000111.8D188 I189 T190 I194 K195 L196 E260 A261 A264 L270 I271D188-Y192 WeakPolarHBondContact O-CB 3.49Å; D188-Y192 PolarHBondContact O-N 3.37Å; I189-Y192 PolarHBondContact O-N 2.91Å; T190-Y192 VanDerWaalsContact C-N 3.29Å; T190-Y192 PolarHBondContact O-N 3.08Å; Y192-I194 VanDerWaalsContact C-N 3.3Å; Y192-I194 PolarHBondContact O-N 3.41Å; Y192-K195 HydrophobicContact CD2-CD 4.39Å; Y192-K195 WeakPolarHBondContact O-CA 3.41Å; Y192-K195 WeakPolarHBondContact O-CB 3.41Å; Y192-K195 PolarHBondContact O-N 3.31Å; Y192-L196 HydrophobicContact CD1-CD1 4.26Å; Y192-L196 HydrophobicContact CD2-CG 4.3Å; Y192-L196 HydrophobicContact CE1-CD1 3.97Å; Y192-L196 HydrophobicContact CE1-CG 4.46Å; Y192-L196 HydrophobicContact CE2-CD1 4.39Å; Y192-L196 HydrophobicContact CE2-CD2 3.93Å; Y192-L196 HydrophobicContact CE2-CG 4Å; Y192-L196 WeakPolarHBondContact O-CG 3.32Å; Y192-L196 PolarHBondContact O-N 2.97Å; Y192-E260 WeakPolarHBondContact CE1-O 3.41Å; Y192-A261 HydrophobicContact CD1-CB 4.45Å; Y192-A264 HydrophobicContact CD1-CB 3.96Å; Y192-A264 HydrophobicContact CE1-CB 4.32Å; Y192-L270 HydrophobicContact CE1-CB 4.23Å; Y192-L270 HydrophobicContact CE1-CD1 4.41Å; Y192-I271 HydrophobicContact CD1-CG2 3.87Å; Y192-I271 HydrophobicContact CD2-CG2 3.62Å; Y192-I271 HydrophobicContact CE1-CG2 4.44Å; Y192-I271 HydrophobicContact CE2-CG2 4.24Å; Y192-I271 HydrophobicContact CG-CG2 3.43Å; Y192-I271 VanDerWaalsContact CG-CG2 3.43Å
193L97.2Very high94.8Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-59.8-40.2173.6-176.659.1000111.8I189 T190 K195 L196 L197 V213 K217 E257 A261I189-L193 WeakPolarHBondContact O-CB 3.36Å; I189-L193 PolarHBondContact O-N 2.98Å; T190-L193 PolarHBondContact O-N 3.27Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 2.83Å; L193-L197 HydrophobicContact CD1-CD1 4.33Å; L193-L197 HydrophobicContact CD1-CG 4.2Å; L193-L197 HydrophobicContact CG-CD1 4.04Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.36Å; L193-L197 PolarHBondContact O-N 2.9Å; L193-V213 HydrophobicContact CB-CG1 3.95Å; L193-V213 HydrophobicContact CD2-CG1 3.64Å; L193-V213 HydrophobicContact CG-CG1 3.69Å; L193-K217 HydrophobicContact CD2-CB 3.8Å; L193-E257 HydrophobicContact CD1-CB 3.97Å; L193-A261 HydrophobicContact CB-CB 3.9Å; L193-A261 HydrophobicContact CD1-CB 4Å; L193-A261 HydrophobicContact CG-CB 4.46Å
194I96.2Very high94.7Very high1 Ų142.6 Ų42.61%0.00522%0.224CC..Hα-helixtrans-56.8-46.7172.7-64.9168.4000110.4T190 R191 Y192 L196 L197 L198 F204 F210 V213T190-I194 HydrophobicContact CG2-CD1 4.47Å; T190-I194 WeakPolarHBondContact O-CG1 3.29Å; T190-I194 PolarHBondContact O-N 2.82Å; R191-I194 WeakPolarHBondContact O-CB 3.27Å; R191-I194 PolarHBondContact O-N 3.37Å; Y192-I194 VanDerWaalsContact C-N 3.3Å; Y192-I194 PolarHBondContact O-N 3.41Å; I194-L196 PolarHBondContact O-N 2.73Å; I194-L197 PolarHBondContact O-N 3.07Å; I194-L198 WeakPolarHBondContact O-CB 3.3Å; I194-L198 PolarHBondContact O-N 2.84Å; I194-F204 HydrophobicContact CG2-CB 4Å; I194-F210 HydrophobicContact CD1-CD2 4.06Å; I194-V213 HydrophobicContact CD1-CB 4.44Å; I194-V213 HydrophobicContact CG1-CB 3.81Å; I194-V213 HydrophobicContact CG1-CG1 3.69Å; I194-V213 HydrophobicContact CG1-CG2 3.89Å
195K95.4Very high94.3Very high89 Ų8946.8 Ų46.839%0.38725%0.247SC..Hα-helixtrans-61.7-42.8178.1-174.8-176.3176.4-172.10111.9R191 Y192 L193 L198 L199R191-K195 PolarHBondContact O-N 3.07Å; Y192-K195 HydrophobicContact CD2-CD 4.39Å; Y192-K195 WeakPolarHBondContact O-CA 3.41Å; Y192-K195 WeakPolarHBondContact O-CB 3.41Å; Y192-K195 PolarHBondContact O-N 3.31Å; L193-K195 VanDerWaalsContact C-N 3.3Å; L193-K195 PolarHBondContact O-N 3.15Å; K195-L198 WeakPolarHBondContact O-CB 3.44Å; K195-L198 PolarHBondContact O-N 2.83Å; K195-L199 WeakPolarHBondContact O-CG 3.41Å; K195-L199 PolarHBondContact O-N 2.89Å; K195-L199 VanDerWaalsContact O-N 3.09Å
196L96.1Very high93.5Very high13 Ų1351.5 Ų51.57%0.06827%0.269CS..Hα-helixtrans-64.8-44.2177.6-67.2175.1000111.8Y192 L193 I194 L198 L199 R200 E257 E260 A261Y192-L196 HydrophobicContact CD1-CD1 4.26Å; Y192-L196 HydrophobicContact CD2-CG 4.3Å; Y192-L196 HydrophobicContact CE1-CD1 3.97Å; Y192-L196 HydrophobicContact CE1-CG 4.46Å; Y192-L196 HydrophobicContact CE2-CD1 4.39Å; Y192-L196 HydrophobicContact CE2-CD2 3.93Å; Y192-L196 HydrophobicContact CE2-CG 4Å; Y192-L196 WeakPolarHBondContact O-CG 3.32Å; Y192-L196 PolarHBondContact O-N 2.97Å; L193-L196 PolarHBondContact O-N 2.83Å; I194-L196 PolarHBondContact O-N 2.73Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.25Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-R200 PolarHBondContact O-N 2.67Å; 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 4.2Å; L196-E260 HydrophobicContact CD1-CB 3.82Å; L196-A261 HydrophobicContact CD1-CB 4.04Å
197L95.6Very high92.6Very high0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-63.7-34.6176.2-67170.7000112.1L193 I194 R200 G201 Y202 F204 V213 M216 V254L193-L197 HydrophobicContact CD1-CD1 4.33Å; L193-L197 HydrophobicContact CD1-CG 4.2Å; L193-L197 HydrophobicContact CG-CD1 4.04Å; L193-L197 HydrophobicContact CG-CG 4.37Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 VanDerWaalsContact O-CG 3.26Å; L193-L197 WeakPolarHBondContact O-CG 3.36Å; L193-L197 PolarHBondContact O-N 2.9Å; I194-L197 PolarHBondContact O-N 3.07Å; L197-R200 WeakPolarHBondContact O-CB 3.44Å; L197-R200 PolarHBondContact O-N 2.92Å; L197-G201 PolarHBondContact O-N 3.49Å; L197-Y202 HydrophobicContact CB-CD2 4.45Å; L197-Y202 HydrophobicContact CD2-CD2 4.09Å; L197-Y202 PolarHBondContact O-N 3.33Å; L197-F204 HydrophobicContact CB-CD2 3.76Å; L197-F204 HydrophobicContact CB-CE2 4.06Å; L197-F204 HydrophobicContact CD1-CD2 3.93Å; L197-F204 HydrophobicContact CD1-CE2 3.77Å; L197-F204 HydrophobicContact CG-CD2 4.47Å; L197-F204 HydrophobicContact CG-CE2 4.42Å; L197-V213 HydrophobicContact CD1-CG1 4.14Å; L197-V213 HydrophobicContact CD1-CG2 4.25Å; L197-M216 HydrophobicContact CD1-CE 4.2Å; L197-M216 HydrophobicContact CD1-SD 3.72Å; L197-V254 HydrophobicContact CD2-CG1 4.31Å; L197-V254 HydrophobicContact CD2-CG2 4.38Å
198L94.4Very high91.8Very high84 Ų8457.4 Ų57.444%0.4432%0.32SS..Hα-helixtrans-62.7-44.7173.2-167.880.7000111.7I194 K195 L196 R200 G201 Y202I194-L198 WeakPolarHBondContact O-CB 3.3Å; I194-L198 PolarHBondContact O-N 2.84Å; K195-L198 WeakPolarHBondContact O-CB 3.44Å; K195-L198 PolarHBondContact O-N 2.83Å; L196-L198 VanDerWaalsContact C-N 3.28Å; L196-L198 PolarHBondContact O-N 3.25Å; L198-R200 PolarHBondContact O-N 2.98Å; L198-G201 WeakPolarHBondContact O-CA 3.28Å; L198-G201 PolarHBondContact O-N 2.95Å; L198-Y202 WeakPolarHBondContact CA-O 3.45Å
199L93.4Very high91.4Very high136 Ų13658 Ų5871%0.71232%0.323SS*.Hα-helixtrans-63.2-29.1176.1-67.1172.6000112.4K195 L196 G201K195-L199 WeakPolarHBondContact O-CG 3.41Å; K195-L199 PolarHBondContact O-N 2.89Å; K195-L199 VanDerWaalsContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 2.92Å; L199-G201 PolarHBondContact O-N 3.38Å
200R91.9Very high90.9Very high95 Ų9558.8 Ų58.836%0.35833%0.326SS..THydrogen-bonded Turntrans-74.6-10.6172.8-149.9-162.1-173.3134.46.8113.9L196 L197 L198 Y202 K253 V254 E257L196-R200 PolarHBondContact O-N 2.67Å; L196-R200 VanDerWaalsContact O-N 3.09Å; L197-R200 WeakPolarHBondContact O-CB 3.44Å; L197-R200 PolarHBondContact O-N 2.92Å; L198-R200 PolarHBondContact O-N 2.98Å; R200-Y202 HydrophobicContact CB-CD2 4.43Å; R200-K253 VanDerWaalsContact CZ-O 3.24Å; R200-K253 PolarHBondContact NH1-O 3.47Å; R200-V254 VanDerWaalsContact NH1-CA 3.27Å; R200-E257 WeakPolarHBondContact CD-OE1 3.39Å; R200-E257 WeakPolarHBondContact CG-OE1 3.31Å; R200-E257 IonicContact CZ-OE1 3.12Å; R200-E257 IonicContact CZ-OE2 3.36Å; R200-E257 IonicContact NE-OE1 3.96Å; R200-E257 PolarHBondContact NE-OE1 2.92Å; R200-E257 IonicContact NH1-OE1 2.64Å; R200-E257 PolarHBondContact NH1-OE1 3.23Å; R200-E257 IonicContact NH1-OE2 3.27Å; R200-E257 PolarHBondContact NH1-OE2 3.41Å
201G92.9Very high90.5Very high63 Ų6361.1 Ų61.165%0.64934%0.337SS*.THydrogen-bonded Turntrans99.69.7179.700000115.2L197 L198 L199L197-G201 PolarHBondContact O-N 3.49Å; L198-G201 WeakPolarHBondContact O-CA 3.28Å; L198-G201 PolarHBondContact O-N 2.95Å; L199-G201 PolarHBondContact O-N 3.38Å
202Y93.3Very high90.3Very high62 Ų6255.7 Ų55.724%0.24332%0.319CS..  trans-89.1116.1171.2-60.7-55.2000110.6L197 L198 R200 F204 I252 K253L197-Y202 HydrophobicContact CB-CD2 4.45Å; L197-Y202 HydrophobicContact CD2-CD2 4.09Å; L197-Y202 PolarHBondContact O-N 3.33Å; L198-Y202 WeakPolarHBondContact CA-O 3.45Å; R200-Y202 HydrophobicContact CB-CD2 4.43Å; Y202-F204 VanDerWaalsContact C-N 3.27Å; Y202-F204 HydrophobicContact CG-CE2 4.25Å; Y202-F204 PolarHBondContact O-N 3.49Å; Y202-I252 HydrophobicContact CD1-CB 4.43Å; Y202-I252 HydrophobicContact CD1-CG2 3.97Å; Y202-I252 HydrophobicContact CD2-CB 4.49Å; Y202-I252 HydrophobicContact CE1-CB 3.96Å; Y202-I252 HydrophobicContact CE1-CG2 3.81Å; Y202-I252 HydrophobicContact CE2-CB 3.98Å; Y202-I252 HydrophobicContact CG-CG2 4.43Å; Y202-K253 WeakPolarHBondContact CE2-O 3.47Å; Y202-K253 PolarHBondContact OH-N 2.98Å
203A90.5Very high90.2Very high99 Ų9954.3 Ų54.382%0.81831%0.313SS*.  trans-76.770.3-176.800000112.7
204F89.1Confident90.1Very high22 Ų2255.7 Ų55.710%0.09632%0.318CS..  trans-85.8140.8172.8-72.6-67.5000111.9I194 L197 Y202 D209 V213 M216 L246 I252I194-F204 HydrophobicContact CG2-CB 4Å; L197-F204 HydrophobicContact CB-CD2 3.76Å; L197-F204 HydrophobicContact CB-CE2 4.06Å; L197-F204 HydrophobicContact CD1-CD2 3.93Å; L197-F204 HydrophobicContact CD1-CE2 3.77Å; L197-F204 HydrophobicContact CG-CD2 4.47Å; L197-F204 HydrophobicContact CG-CE2 4.42Å; Y202-F204 VanDerWaalsContact C-N 3.27Å; Y202-F204 HydrophobicContact CG-CE2 4.25Å; Y202-F204 PolarHBondContact O-N 3.49Å; F204-D209 WeakPolarHBondContact CA-OD2 3.29Å; F204-D209 HydrophobicContact CB-CB 4.34Å; F204-D209 HydrophobicContact CD1-CB 3.57Å; F204-D209 HydrophobicContact CE1-CB 4.37Å; F204-D209 HydrophobicContact CG-CB 4.4Å; F204-V213 HydrophobicContact CD1-CG2 4.14Å; F204-V213 HydrophobicContact CE1-CG2 4.34Å; F204-V213 HydrophobicContact CG-CG2 4.24Å; F204-M216 HydrophobicContact CZ-CE 4.29Å; F204-L246 HydrophobicContact CE1-CD1 4.23Å; F204-L246 HydrophobicContact CE1-CD2 4.02Å; F204-L246 HydrophobicContact CZ-CD1 4.07Å; F204-L246 HydrophobicContact CZ-CD2 3.89Å; F204-I252 HydrophobicContact CE2-CD1 4.1Å; F204-I252 HydrophobicContact CZ-CD1 3.94Å
205N85.7Confident90Very high89 Ų8959.4 Ų59.448%0.47634%0.337SS..  trans-93.9136.8172.3-172.8-66.3000110.8S207 A208 D209N205-S207 PolarHBondContact O-N 2.86Å; N205-S207 VanDerWaalsContact O-N 3.14Å; N205-S207 PolarHBondContact OD1-N 2.8Å; N205-A208 HydrophobicContact CB-CB 4.19Å; N205-A208 PolarHBondContact OD1-N 3.16Å; N205-D209 PolarHBondContact N-OD2 2.94Å; N205-D209 PolarHBondContact O-N 3.38Å
206H79.6Confident90Very high99 Ų9955.2 Ų55.246%0.45832%0.318SS..THydrogen-bonded Turntrans-59.7-24.5-179.2-72-68.7000115.1
207S76.1Confident90Very high83 Ų8354.9 Ų54.958%0.5832%0.316SS*.THydrogen-bonded Turntrans-105.8-48.2-175.9-56.90000112.6N205N205-S207 PolarHBondContact O-N 2.86Å; N205-S207 VanDerWaalsContact O-N 3.14Å; N205-S207 PolarHBondContact OD1-N 2.8Å
208A78.3Confident90Very high75 Ų7559.5 Ų59.562%0.6234%0.338SS*.THydrogen-bonded Turntrans-71.8-41.8-175.500000112.2N205N205-A208 HydrophobicContact CB-CB 4.19Å; N205-A208 PolarHBondContact OD1-N 3.16Å
209D86.6Confident90.1Very high47 Ų4763 Ų6325%0.25135%0.35SS..SBendtrans-96.64.8-174.4-54.9-52.8000113.1F204 N205 E211 T212 V213F204-D209 WeakPolarHBondContact CA-OD2 3.29Å; F204-D209 HydrophobicContact CB-CB 4.34Å; F204-D209 HydrophobicContact CD1-CB 3.57Å; F204-D209 HydrophobicContact CE1-CB 4.37Å; F204-D209 HydrophobicContact CG-CB 4.4Å; N205-D209 PolarHBondContact N-OD2 2.94Å; N205-D209 PolarHBondContact O-N 3.38Å; D209-E211 PolarHBondContact O-N 3.3Å; D209-T212 PolarHBondContact O-N 2.87Å; D209-V213 WeakPolarHBondContact O-CG2 3.2Å; D209-V213 PolarHBondContact O-N 3.27Å
210F88.7Confident90.3Very high16 Ų1657.5 Ų57.57%0.0732%0.321CS..Hα-helixtrans-53.6-43.9-175.7-175.6-91.3000112.1R187 T190 R191 I194 V213 R214R187-F210 HydrophobicContact CB-CZ 4.44Å; R187-F210 HydrophobicContact CG-CE2 4.26Å; R187-F210 HydrophobicContact CG-CZ 3.85Å; T190-F210 HydrophobicContact CG2-CD1 4.45Å; T190-F210 HydrophobicContact CG2-CD2 3.78Å; T190-F210 HydrophobicContact CG2-CE1 4.19Å; T190-F210 HydrophobicContact CG2-CE2 3.46Å; T190-F210 VanDerWaalsContact CG2-CE2 3.46Å; T190-F210 HydrophobicContact CG2-CG 4.25Å; T190-F210 HydrophobicContact CG2-CZ 3.68Å; T190-F210 WeakPolarHBondContact CG2-O 2.99Å; R191-F210 HydrophobicContact CG-CD2 4.49Å; R191-F210 HydrophobicContact CG-CE2 3.94Å; I194-F210 HydrophobicContact CD1-CD2 4.06Å; F210-V213 PolarHBondContact O-N 3.21Å; F210-R214 WeakPolarHBondContact O-CB 3.45Å; F210-R214 PolarHBondContact O-N 2.74Å
211E88.1Confident90.6Very high49 Ų4953.2 Ų53.223%0.22931%0.306CS..Hα-helixtrans-72.2-39-176.5-170.956-159.200112.1D209 R214 M215D209-E211 PolarHBondContact O-N 3.3Å; E211-R214 VanDerWaalsContact CD-NE 3.28Å; E211-R214 WeakPolarHBondContact O-CB 3.46Å; E211-R214 PolarHBondContact O-N 3.26Å; E211-R214 IonicContact OE1-CZ 3.54Å; E211-R214 IonicContact OE1-NE 3.6Å; E211-R214 PolarHBondContact OE1-NE 3.09Å; E211-R214 IonicContact OE1-NH2 3.34Å; E211-R214 PolarHBondContact OE1-NH2 2.92Å; E211-R214 IonicContact OE2-CZ 3.19Å; E211-R214 IonicContact OE2-NE 3.95Å; E211-R214 PolarHBondContact OE2-NE 3.37Å; E211-M215 HydrophobicContact CG-CE 4.35Å; E211-M215 WeakPolarHBondContact O-CG 3.47Å; E211-M215 PolarHBondContact O-N 3.08Å
212T90.9Very high90.9Very high19 Ų1951.7 Ų51.712%0.11728%0.28CS..Hα-helixtrans-61.7-44.9173.5-53.50000111.2D209 M215 M216 L246 P247D209-T212 PolarHBondContact O-N 2.87Å; T212-M215 PolarHBondContact O-N 2.93Å; T212-M216 PolarHBondContact O-N 3.43Å; T212-L246 HydrophobicContact CG2-CD2 3.72Å; T212-P247 HydrophobicContact CG2-CG 4.13Å
213V94.9Very high91.1Very high0 Ų048.9 Ų48.90%027%0.27CS..Hα-helixtrans-72-30.5178.3-178.50000111.7T190 L193 I194 L197 F204 D209 F210 M216 K217T190-V213 HydrophobicContact CG2-CB 4.37Å; T190-V213 HydrophobicContact CG2-CG1 4.31Å; L193-V213 HydrophobicContact CB-CG1 3.95Å; L193-V213 HydrophobicContact CD2-CG1 3.64Å; L193-V213 HydrophobicContact CG-CG1 3.69Å; I194-V213 HydrophobicContact CD1-CB 4.44Å; I194-V213 HydrophobicContact CG1-CB 3.81Å; I194-V213 HydrophobicContact CG1-CG1 3.69Å; I194-V213 HydrophobicContact CG1-CG2 3.89Å; L197-V213 HydrophobicContact CD1-CG1 4.14Å; L197-V213 HydrophobicContact CD1-CG2 4.25Å; F204-V213 HydrophobicContact CD1-CG2 4.14Å; F204-V213 HydrophobicContact CE1-CG2 4.34Å; F204-V213 HydrophobicContact CG-CG2 4.24Å; D209-V213 WeakPolarHBondContact O-CG2 3.2Å; D209-V213 PolarHBondContact O-N 3.27Å; F210-V213 PolarHBondContact O-N 3.21Å; V213-M216 HydrophobicContact CG2-CE 4.49Å; V213-M216 WeakPolarHBondContact O-CB 3.26Å; V213-M216 PolarHBondContact O-N 2.93Å; V213-K217 WeakPolarHBondContact O-CB 3.41Å; V213-K217 PolarHBondContact O-N 2.64Å
214R94.8Very high91.4Very high28 Ų2844.2 Ų44.211%0.10623%0.231CC..Hα-helixtrans-60.4-46.8170.3-172.7-16769.672.81.4111.4T190 F210 E211 M216 K217 E218T190-R214 HydrophobicContact CG2-CB 4.06Å; F210-R214 WeakPolarHBondContact O-CB 3.45Å; F210-R214 PolarHBondContact O-N 2.74Å; E211-R214 VanDerWaalsContact CD-NE 3.28Å; E211-R214 WeakPolarHBondContact O-CB 3.46Å; E211-R214 PolarHBondContact O-N 3.26Å; E211-R214 IonicContact OE1-CZ 3.54Å; E211-R214 IonicContact OE1-NE 3.6Å; E211-R214 PolarHBondContact OE1-NE 3.09Å; E211-R214 IonicContact OE1-NH2 3.34Å; E211-R214 PolarHBondContact OE1-NH2 2.92Å; E211-R214 IonicContact OE2-CZ 3.19Å; E211-R214 IonicContact OE2-NE 3.95Å; E211-R214 PolarHBondContact OE2-NE 3.37Å; R214-M216 VanDerWaalsContact C-N 3.34Å; R214-K217 WeakPolarHBondContact O-CB 3.42Å; R214-K217 PolarHBondContact O-N 3.39Å; R214-E218 IonicContact CZ-OE1 3.06Å; R214-E218 IonicContact NH1-OE1 2.78Å; R214-E218 PolarHBondContact NH1-OE1 3.17Å; R214-E218 IonicContact NH1-OE2 2.8Å; R214-E218 PolarHBondContact NH1-OE2 3.4Å; R214-E218 PolarHBondContact O-N 2.97Å
215M93.4Very high91.8Very high79 Ų7949 Ų4939%0.38925%0.249SC..Hα-helixtrans-64.4-39.1176.7-71.6-173.4-79.800112E211 T212 E218 K219E211-M215 HydrophobicContact CG-CE 4.35Å; E211-M215 WeakPolarHBondContact O-CG 3.47Å; E211-M215 PolarHBondContact O-N 3.08Å; T212-M215 PolarHBondContact O-N 2.93Å; M215-E218 PolarHBondContact O-N 3.41Å; M215-K219 WeakPolarHBondContact O-CB 3.39Å; M215-K219 PolarHBondContact O-N 3.23Å; M215-K219 VanDerWaalsContact O-N 3.09Å
216M95.4Very high92.2Very high1 Ų146.7 Ų46.71%0.00524%0.237CC..Hα-helixtrans-62.2-45.1174.7-173-169.9-52.800112L197 F204 T212 V213 R214 E218 K219 L220 Y244 L246 I252 V254L197-M216 HydrophobicContact CD1-CE 4.2Å; L197-M216 HydrophobicContact CD1-SD 3.72Å; F204-M216 HydrophobicContact CZ-CE 4.29Å; T212-M216 PolarHBondContact O-N 3.43Å; V213-M216 HydrophobicContact CG2-CE 4.49Å; V213-M216 WeakPolarHBondContact O-CB 3.26Å; V213-M216 PolarHBondContact O-N 2.93Å; R214-M216 VanDerWaalsContact C-N 3.34Å; M216-E218 PolarHBondContact O-N 2.97Å; M216-K219 PolarHBondContact O-N 3.2Å; M216-L220 HydrophobicContact CG-CD1 3.96Å; M216-L220 WeakPolarHBondContact O-CB 3.4Å; M216-L220 PolarHBondContact O-N 3.44Å; M216-Y244 HydrophobicContact CB-CD2 4.39Å; M216-Y244 HydrophobicContact CB-CE1 4.45Å; M216-Y244 HydrophobicContact CB-CE2 4.12Å; M216-Y244 HydrophobicContact CE-CD1 3.94Å; M216-Y244 HydrophobicContact CE-CE1 4.24Å; M216-Y244 HydrophobicContact CE-CG 4.39Å; M216-Y244 HydrophobicContact CG-CD1 4.47Å; M216-Y244 HydrophobicContact CG-CD2 4.05Å; M216-Y244 HydrophobicContact CG-CE2 4.29Å; M216-Y244 HydrophobicContact CG-CG 4.14Å; M216-L246 HydrophobicContact CE-CD2 4.23Å; M216-I252 HydrophobicContact CE-CD1 3.29Å; M216-I252 HydrophobicContact CE-CG1 4.42Å; M216-I252 HydrophobicContact SD-CD1 3.87Å; M216-V254 HydrophobicContact CG-CG2 4.46Å; M216-V254 HydrophobicContact SD-CG2 3.77Å
217K97.2Very high92.9Very high6 Ų643.2 Ų43.23%0.02622%0.221CC..Hα-helixtrans-56-50.9174.4178.9-16277.3-175.30111.2G186 I189 T190 L193 V213 R214 K219 C221 Y310G186-K217 PolarHBondContact O-NZ 3.47Å; I189-K217 HydrophobicContact CB-CD 4.19Å; I189-K217 HydrophobicContact CG2-CD 3.76Å; I189-K217 HydrophobicContact CG2-CG 4.2Å; T190-K217 PolarHBondContact OG1-NZ 3.21Å; L193-K217 HydrophobicContact CD2-CB 3.8Å; V213-K217 WeakPolarHBondContact O-CB 3.41Å; V213-K217 PolarHBondContact O-N 2.64Å; R214-K217 WeakPolarHBondContact O-CB 3.42Å; R214-K217 PolarHBondContact O-N 3.39Å; K217-K219 PolarHBondContact O-N 2.88Å; K217-C221 HydrophobicContact CG-CB 4.26Å; K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.38Å; K217-C221 PolarHBondContact O-N 3.14Å; K217-C221 VanDerWaalsContact O-N 3.08Å; K217-Y310 VanDerWaalsContact CD-OH 3.23Å; K217-Y310 WeakPolarHBondContact CD-OH 3.34Å; K217-Y310 WeakPolarHBondContact CE-OH 3.4Å; K217-Y310 HydrophobicContact CG-CE1 4.04Å
218E95.8Very high93.8Very high97 Ų9745.8 Ų45.845%0.45323%0.225SC..Hα-helixtrans-64.1-28-179-73.1179-167.300113.2R214 M215 M216R214-E218 IonicContact CZ-OE1 3.06Å; R214-E218 IonicContact NH1-OE1 2.78Å; R214-E218 PolarHBondContact NH1-OE1 3.17Å; R214-E218 IonicContact NH1-OE2 2.8Å; R214-E218 PolarHBondContact NH1-OE2 3.4Å; R214-E218 PolarHBondContact O-N 2.97Å; M215-E218 PolarHBondContact O-N 3.41Å; M216-E218 PolarHBondContact O-N 2.97Å
219K96.6Very high94.6Very high159 Ų15947.6 Ų47.669%0.69122%0.22SC*.Hα-helixtrans-87.8-39-178.9-170.5177.9-178.7-178.40113.8M215 M216 K217 Y244M215-K219 WeakPolarHBondContact O-CB 3.39Å; M215-K219 PolarHBondContact O-N 3.23Å; M215-K219 VanDerWaalsContact O-N 3.09Å; M216-K219 PolarHBondContact O-N 3.2Å; K217-K219 PolarHBondContact O-N 2.88Å; K219-Y244 HydrophobicContact CD-CD2 4.33Å; K219-Y244 HydrophobicContact CD-CE2 3.97Å
220L97.1Very high95.1Very high19 Ų1946.8 Ų46.810%0.09922%0.215CC..Hα-helixtrans-113.8-26.4-165.9-61.2-176.9000114.9M216 E242 Y244 V254 R258M216-L220 HydrophobicContact CG-CD1 3.96Å; M216-L220 WeakPolarHBondContact O-CB 3.4Å; M216-L220 PolarHBondContact O-N 3.44Å; L220-E242 HydrophobicContact CD2-CB 4.19Å; L220-Y244 HydrophobicContact CD1-CD2 3.95Å; L220-Y244 HydrophobicContact CD1-CG 4.38Å; L220-Y244 HydrophobicContact CG-CD2 4.39Å; L220-V254 HydrophobicContact CD1-CB 4.11Å; L220-V254 HydrophobicContact CD1-CG2 3.97Å; L220-R258 HydrophobicContact CB-CG 4.31Å; L220-R258 PolarHBondContact O-NE 3.13Å; L220-R258 PolarHBondContact O-NH2 3.5Å
221C98.1Very high95.4Very high6 Ų650.2 Ų50.24%0.04123%0.231CC..  trans-76150.5-174.8-70.60000112.3K217 R258 P262 Y310K217-C221 HydrophobicContact CG-CB 4.26Å; K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.38Å; K217-C221 PolarHBondContact O-N 3.14Å; K217-C221 VanDerWaalsContact O-N 3.08Å; C221-R258 WeakPolarHBondContact CA-O 3.19Å; C221-R258 VanDerWaalsContact CB-O 3.23Å; C221-R258 WeakPolarHBondContact CB-O 3.33Å; C221-R258 PolarHBondContact SG-O 3.17Å; C221-P262 HydrophobicContact CB-CG 3.77Å; C221-Y310 HydrophobicContact CB-CD1 4.11Å; C221-Y310 HydrophobicContact CB-CE1 3.95Å
222Y98.1Very high95.7Very high30 Ų3053.7 Ų53.712%0.11825%0.245CC..  trans-148.4166.8177.266.5-84.2000109.7E230 L240 R258 F259 P262Y222-E230 PolarHBondContact OH-OE2 3.22Å; Y222-L240 VanDerWaalsContact OH-CD2 3.23Å; Y222-L240 WeakPolarHBondContact OH-CD2 3.28Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.75Å; Y222-R258 PolarHBondContact N-O 2.97Å; Y222-R258 VanDerWaalsContact N-O 3.08Å; Y222-F259 HydrophobicContact CD2-CB 4.21Å; Y222-F259 HydrophobicContact CE1-CB 4.17Å; Y222-F259 HydrophobicContact CE2-CB 3.77Å; Y222-F259 VanDerWaalsContact O-CA 3.32Å; Y222-F259 WeakPolarHBondContact O-CA 3.36Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.46Å; Y222-P262 WeakPolarHBondContact O-CG 3.42Å
223V98.3Very high95.9Very high4 Ų455.6 Ų55.62%0.02425%0.254CS..  trans-99.2123.7175169.80000109P262 F266 Y310 P311 L313 R316V223-P262 HydrophobicContact CG2-CB 3.78Å; V223-F266 HydrophobicContact CG1-CD2 4.44Å; V223-F266 HydrophobicContact CG1-CE2 3.64Å; V223-F266 HydrophobicContact CG1-CZ 4.13Å; V223-F266 HydrophobicContact CG2-CE2 4.22Å; V223-Y310 HydrophobicContact CG2-CD2 4.37Å; V223-Y310 HydrophobicContact CG2-CG 4.26Å; V223-P311 PolarHBondContact N-O 2.95Å; V223-L313 HydrophobicContact CB-CB 4.21Å; V223-L313 HydrophobicContact CG2-CB 3.94Å; V223-L313 HydrophobicContact CG2-CD1 4.21Å; V223-L313 HydrophobicContact CG2-CG 4.45Å; V223-R316 HydrophobicContact CG1-CB 3.59Å; V223-R316 HydrophobicContact CG1-CG 3.64Å
224G97.1Very high95.9Very high0 Ų057.2 Ų57.20%027%0.268CS..  trans-67.3130.9175.500000111.8R316G224-R316 PolarHBondContact O-NH1 3.35Å
225Y96.2Very high95.9Very high122 Ų12263 Ų6348%0.47830%0.3SS..SBendtrans-72.2-39.1175.1-178.6-102.5000111.7R319Y225-R319 HydrophobicContact CD2-CB 4.45Å; Y225-R319 HydrophobicContact CE2-CB 3.63Å; Y225-R319 HydrophobicContact CE2-CG 4.18Å; Y225-R319 VanDerWaalsContact CZ-CD 3.49Å; Y225-R319 PolarHBondContact O-NH1 2.99Å
226N95.8Very high95.9Very high42 Ų4266.4 Ų66.423%0.22532%0.315CS..SBendtrans-132.4108173.6-169.7-13.8000110.1E228 Q229 E230N226-E228 VanDerWaalsContact C-N 3.34Å; N226-E228 PolarHBondContact O-N 3.32Å; N226-E228 PolarHBondContact OD1-N 3.26Å; N226-Q229 HydrophobicContact CB-CB 3.92Å; N226-Q229 PolarHBondContact O-N 3.24Å; N226-Q229 VanDerWaalsContact O-N 3.14Å; N226-E230 WeakPolarHBondContact O-CG 3.14Å; N226-E230 PolarHBondContact O-N 2.85Å
227I94.1Very high95.9Very high25 Ų2568.9 Ų68.913%0.12833%0.33CS..Hα-helixtrans-62.9-38.8-174.4-61.4-60.8000112.9Q229 E230 Q231 F259 E263I227-Q229 VanDerWaalsContact C-N 3.26Å; I227-Q229 PolarHBondContact O-N 3.08Å; I227-E230 PolarHBondContact O-N 3.04Å; I227-Q231 HydrophobicContact CG2-CG 4.2Å; I227-Q231 WeakPolarHBondContact O-CB 3.45Å; I227-Q231 VanDerWaalsContact O-CG 3.26Å; I227-Q231 WeakPolarHBondContact O-CG 3.29Å; I227-Q231 PolarHBondContact O-N 3Å; I227-F259 HydrophobicContact CD1-CD2 4.01Å; I227-F259 HydrophobicContact CD1-CE2 4.4Å; I227-E263 VanDerWaalsContact CD1-CD 3.5Å; I227-E263 HydrophobicContact CD1-CG 4.08Å; I227-E263 WeakPolarHBondContact CD1-OE2 3.44Å; I227-E263 HydrophobicContact CG1-CG 4.36Å
228E94.8Very high95.7Very high138 Ų13874 Ų7465%0.64536%0.363SS*.Hα-helixtrans-62.4-36.6177.7-63.4178.6-177.700112.1N226 K232N226-E228 VanDerWaalsContact C-N 3.34Å; N226-E228 PolarHBondContact O-N 3.32Å; N226-E228 PolarHBondContact OD1-N 3.26Å; E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.11Å; E228-K232 VanDerWaalsContact O-N 3.13Å
229Q95.3Very high95.6Very high112 Ų11274.1 Ų74.152%0.52337%0.369SS..Hα-helixtrans-73.4-43178.2-173.4179.30.600111.4N226 I227 Q231 K232 L233N226-Q229 HydrophobicContact CB-CB 3.92Å; N226-Q229 PolarHBondContact O-N 3.24Å; N226-Q229 VanDerWaalsContact O-N 3.14Å; I227-Q229 VanDerWaalsContact C-N 3.26Å; I227-Q229 PolarHBondContact O-N 3.08Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.49Å; Q229-K232 PolarHBondContact O-N 3.3Å; Q229-L233 WeakPolarHBondContact O-CG 3.28Å; Q229-L233 PolarHBondContact O-N 3.33Å
230E95.9Very high95.4Very high30 Ų3067.4 Ų67.414%0.1434%0.341CS..Hα-helixtrans-62.2-39.9176.5-65.4-69.5164.300111.3Y222 N226 I227 L233 A234 F259Y222-E230 PolarHBondContact OH-OE2 3.22Å; N226-E230 WeakPolarHBondContact O-CG 3.14Å; N226-E230 PolarHBondContact O-N 2.85Å; I227-E230 PolarHBondContact O-N 3.04Å; E230-L233 PolarHBondContact O-N 2.95Å; E230-A234 WeakPolarHBondContact O-CB 3.49Å; E230-A234 PolarHBondContact O-N 3.29Å; E230-F259 HydrophobicContact CB-CD1 3.98Å; E230-F259 HydrophobicContact CB-CD2 3.92Å; E230-F259 HydrophobicContact CB-CE1 3.76Å; E230-F259 HydrophobicContact CB-CE2 3.71Å; E230-F259 HydrophobicContact CB-CG 4.07Å; E230-F259 HydrophobicContact CB-CZ 3.63Å
231Q95Very high95.3Very high88 Ų8868.9 Ų68.941%0.41135%0.351SS..Hα-helixtrans-63.3-43.6174.3-75.2174.5-12.300112.2I227 Q229 A234 L235 F259I227-Q231 HydrophobicContact CG2-CG 4.2Å; I227-Q231 WeakPolarHBondContact O-CB 3.45Å; I227-Q231 VanDerWaalsContact O-CG 3.26Å; I227-Q231 WeakPolarHBondContact O-CG 3.29Å; I227-Q231 PolarHBondContact O-N 3Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.49Å; Q231-A234 PolarHBondContact O-N 3.1Å; Q231-L235 WeakPolarHBondContact O-CB 3.25Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 3.12Å; Q231-F259 HydrophobicContact CG-CE2 4.16Å; Q231-F259 HydrophobicContact CG-CZ 4.03Å
232K96Very high95.2Very high122 Ų12272.9 Ų72.953%0.5337%0.369SS..Hα-helixtrans-60.1-45.9173.5-75.9178.1-178.2178.90111.5E228 Q229 A234 L235 E236E228-K232 WeakPolarHBondContact O-CG 3.37Å; E228-K232 PolarHBondContact O-N 3.11Å; E228-K232 VanDerWaalsContact O-N 3.13Å; Q229-K232 PolarHBondContact O-N 3.3Å; K232-A234 VanDerWaalsContact C-N 3.3Å; K232-A234 PolarHBondContact O-N 3.25Å; K232-L235 PolarHBondContact O-N 2.73Å; K232-E236 VanDerWaalsContact O-CB 3.23Å; K232-E236 WeakPolarHBondContact O-CB 3.38Å; K232-E236 WeakPolarHBondContact O-CG 3.1Å; K232-E236 PolarHBondContact O-N 2.85Å
233L95Very high95.1Very high59 Ų5975 Ų7531%0.30939%0.388SS..Hα-helixtrans-60.2-40.3176.3-72.2172000112Q229 E230 T237 L240Q229-L233 WeakPolarHBondContact O-CG 3.28Å; Q229-L233 PolarHBondContact O-N 3.33Å; E230-L233 PolarHBondContact O-N 2.95Å; L233-T237 CarbonylContact O-C 3.58Å; L233-T237 WeakPolarHBondContact O-CA 3.43Å; L233-T237 WeakPolarHBondContact O-CB 3.33Å; L233-T237 PolarHBondContact O-N 3.47Å; L233-T237 VanDerWaalsContact O-N 3.1Å; L233-T237 PolarHBondContact O-OG1 2.83Å; L233-L240 HydrophobicContact CB-CD1 4.08Å; L233-L240 HydrophobicContact CB-CG 4.43Å
234A93.9Very high95Very high34 Ų3476 Ų7628%0.28139%0.391SS..Hα-helixtrans-67.6-36178.300000113.4E230 Q231 K232 L240 F259E230-A234 WeakPolarHBondContact O-CB 3.49Å; E230-A234 PolarHBondContact O-N 3.29Å; Q231-A234 PolarHBondContact O-N 3.1Å; K232-A234 VanDerWaalsContact C-N 3.3Å; K232-A234 PolarHBondContact O-N 3.25Å; A234-L240 HydrophobicContact CB-CD1 3.95Å; A234-F259 HydrophobicContact CB-CE1 4.14Å; A234-F259 HydrophobicContact CB-CZ 4.49Å
235L94.1Very high94.8Very high151 Ų15180.1 Ų80.179%0.79142%0.417SS*.Hα-helixtrans-84.8-39.7-177.6-71.9166.9000112.9Q231 K232Q231-L235 WeakPolarHBondContact O-CB 3.25Å; Q231-L235 VanDerWaalsContact O-CG 3.31Å; Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 3.12Å; K232-L235 PolarHBondContact O-N 2.73Å
236E95Very high94.7Very high150 Ų15075.4 Ų75.470%0.70140%0.399SS*.Hα-helixtrans-93.8-18.5-171.6-61174.9-170.300112.6K232K232-E236 VanDerWaalsContact O-CB 3.23Å; K232-E236 WeakPolarHBondContact O-CB 3.38Å; K232-E236 WeakPolarHBondContact O-CG 3.1Å; K232-E236 PolarHBondContact O-N 2.85Å
237T94.3Very high94.3Very high53 Ų5378.5 Ų78.533%0.32542%0.422SS..  trans-137.1172.5-174.882.40000112.6L233 V239L233-T237 CarbonylContact O-C 3.58Å; L233-T237 WeakPolarHBondContact O-CA 3.43Å; L233-T237 WeakPolarHBondContact O-CB 3.33Å; L233-T237 PolarHBondContact O-N 3.47Å; L233-T237 VanDerWaalsContact O-N 3.1Å; L233-T237 PolarHBondContact O-OG1 2.83Å; T237-V239 WeakPolarHBondContact OG1-CG2 3.43Å; T237-V239 PolarHBondContact OG1-N 3.03Å
238T92.9Very high93.9Very high114 Ų11481.9 Ų81.970%0.69944%0.44SS*.SBendtrans-109.57.5175.754.80000113.3L240 V241T238-L240 PolarHBondContact O-N 2.68Å; T238-L240 VanDerWaalsContact O-N 3.14Å; T238-V241 WeakPolarHBondContact O-CB 3.41Å; T238-V241 PolarHBondContact O-N 3.48Å
239V94.1Very high93.7Very high98 Ų9877.8 Ų77.859%0.59444%0.435SS*.THydrogen-bonded Turntrans-63.6-24-173.2-54.80000113.4T237T237-V239 WeakPolarHBondContact OG1-CG2 3.43Å; T237-V239 PolarHBondContact OG1-N 3.03Å
240L92.9Very high93.5Very high18 Ų1880.9 Ų80.99%0.09444%0.442CS..THydrogen-bonded Turntrans-85.9-10.5178.5-60-175.8000113.1Y222 L233 A234 T238 E242 R258 F259Y222-L240 VanDerWaalsContact OH-CD2 3.23Å; Y222-L240 WeakPolarHBondContact OH-CD2 3.28Å; L233-L240 HydrophobicContact CB-CD1 4.08Å; L233-L240 HydrophobicContact CB-CG 4.43Å; A234-L240 HydrophobicContact CB-CD1 3.95Å; T238-L240 PolarHBondContact O-N 2.68Å; T238-L240 VanDerWaalsContact O-N 3.14Å; L240-E242 PolarHBondContact O-N 2.95Å; L240-R258 WeakPolarHBondContact O-CD 3.46Å; L240-R258 PolarHBondContact O-NH1 2.93Å; L240-F259 HydrophobicContact CD1-CD1 4.25Å; L240-F259 HydrophobicContact CD1-CE1 3.98Å
241V95.3Very high93.4Very high50 Ų5086.3 Ų86.330%0.30347%0.469SS..  trans-80.4112.7-174.4-176.60000110.4T238 K253 V254T238-V241 WeakPolarHBondContact O-CB 3.41Å; T238-V241 PolarHBondContact O-N 3.48Å; V241-K253 HydrophobicContact CG1-CB 3.9Å; V241-K253 HydrophobicContact CG1-CD 4.11Å; V241-K253 HydrophobicContact CG1-CG 4.26Å; V241-V254 WeakPolarHBondContact CA-O 3.5Å
242E95.9Very high93.4Very high91 Ų9182.4 Ų82.443%0.42545%0.451SS..EExtended strand (participates in β ladder)trans-112.2149175.7-73.9-67.7167.100111L220 L240 K253 V254L220-E242 HydrophobicContact CD2-CB 4.19Å; L240-E242 PolarHBondContact O-N 2.95Å; E242-K253 CarbonylContact O-C 3.56Å; E242-K253 WeakPolarHBondContact O-CA 3.25Å; E242-V254 PolarHBondContact N-O 3.14Å; E242-V254 PolarHBondContact O-N 3.02Å
243S95.1Very high93.4Very high73 Ų7382.3 Ų82.351%0.5145%0.45SS..EExtended strand (participates in β ladder)trans-96.8137.3176.6-59.30000111I252S243-I252 CarbonylContact C-O 3.33Å; S243-I252 WeakPolarHBondContact CA-O 3.34Å
244Y95.8Very high93.4Very high26 Ų2679.5 Ų79.510%0.10244%0.436CS..EExtended strand (participates in β ladder)trans-127.1129.5176-170.5-87.2000110.4M216 K219 L220 L246 M251 I252M216-Y244 HydrophobicContact CB-CD2 4.39Å; M216-Y244 HydrophobicContact CB-CE1 4.45Å; M216-Y244 HydrophobicContact CB-CE2 4.12Å; M216-Y244 HydrophobicContact CE-CD1 3.94Å; M216-Y244 HydrophobicContact CE-CE1 4.24Å; M216-Y244 HydrophobicContact CE-CG 4.39Å; M216-Y244 HydrophobicContact CG-CD1 4.47Å; M216-Y244 HydrophobicContact CG-CD2 4.05Å; M216-Y244 HydrophobicContact CG-CE2 4.29Å; M216-Y244 HydrophobicContact CG-CG 4.14Å; K219-Y244 HydrophobicContact CD-CD2 4.33Å; K219-Y244 HydrophobicContact CD-CE2 3.97Å; L220-Y244 HydrophobicContact CD1-CD2 3.95Å; L220-Y244 HydrophobicContact CD1-CG 4.38Å; L220-Y244 HydrophobicContact CG-CD2 4.39Å; Y244-L246 HydrophobicContact CD1-CD2 4.13Å; Y244-L246 HydrophobicContact CE1-CD2 4.25Å; Y244-M251 WeakPolarHBondContact O-CA 3.44Å; Y244-I252 PolarHBondContact N-O 3.32Å; Y244-I252 PolarHBondContact O-N 3.33Å
245T94.5Very high93.5Very high87 Ų8778 Ų7853%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-90.7120.6176.6-48.10000109.8M251T245-M251 HydrophobicContact CG2-CG 4.47Å
246L92.1Very high93.6Very high22 Ų2271.4 Ų71.412%0.11539%0.392CS..  trans-74.1162.7175.7-65.6179000111.5F204 T212 M216 Y244 D248 G249 R250 I252F204-L246 HydrophobicContact CE1-CD1 4.23Å; F204-L246 HydrophobicContact CE1-CD2 4.02Å; F204-L246 HydrophobicContact CZ-CD1 4.07Å; F204-L246 HydrophobicContact CZ-CD2 3.89Å; T212-L246 HydrophobicContact CG2-CD2 3.72Å; M216-L246 HydrophobicContact CE-CD2 4.23Å; Y244-L246 HydrophobicContact CD1-CD2 4.13Å; Y244-L246 HydrophobicContact CE1-CD2 4.25Å; L246-D248 WeakPolarHBondContact CB-OD1 3.3Å; L246-D248 PolarHBondContact O-N 3.02Å; L246-D248 VanDerWaalsContact O-N 3.16Å; L246-G249 PolarHBondContact O-N 3.38Å; L246-R250 WeakPolarHBondContact CB-O 3.39Å; L246-R250 HydrophobicContact CD1-CB 4.24Å; L246-R250 PolarHBondContact N-O 2.94Å; L246-I252 HydrophobicContact CD1-CG2 3.78Å; L246-I252 HydrophobicContact CD2-CD1 4.34Å; L246-I252 HydrophobicContact CG-CG2 4.18Å
247P87.4Confident93.6Very high108 Ų10865.2 Ų65.270%0.70136%0.363SS*.THydrogen-bonded Turntrans-58.4-26.4178.3-25.435.1000114.3T212 G249T212-P247 HydrophobicContact CG2-CG 4.13Å; P247-G249 PolarHBondContact O-N 3.45Å
248D86.5Confident93.8Very high96 Ų9664.6 Ų64.651%0.51335%0.354SS..THydrogen-bonded Turntrans-82.21.9176.170.4-11.7000113.6L246 R250L246-D248 WeakPolarHBondContact CB-OD1 3.3Å; L246-D248 PolarHBondContact O-N 3.02Å; L246-D248 VanDerWaalsContact O-N 3.16Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 WeakPolarHBondContact OD1-CB 3.29Å; D248-R250 WeakPolarHBondContact OD1-CG 3.4Å; D248-R250 PolarHBondContact OD1-N 2.75Å; D248-R250 WeakPolarHBondContact OD2-CD 3.41Å; D248-R250 WeakPolarHBondContact OD2-CG 3.49Å; D248-R250 IonicContact OD2-CZ 3.02Å; D248-R250 IonicContact OD2-NE 2.91Å; D248-R250 PolarHBondContact OD2-NE 3.47Å; D248-R250 IonicContact OD2-NH1 3.47Å
249G90.1Very high94Very high51 Ų5159.2 Ų59.253%0.52632%0.321SS..SBendtrans85.8-4.6-178.700000114.7L246 P247L246-G249 PolarHBondContact O-N 3.38Å; P247-G249 PolarHBondContact O-N 3.45Å
250R91.8Very high94.2Very high178 Ų17857.6 Ų57.667%0.67231%0.307SS*.  trans-70.5138.6177.2-65.5-179.5-174171.60.9110.6L246 D248L246-R250 WeakPolarHBondContact CB-O 3.39Å; L246-R250 HydrophobicContact CD1-CB 4.24Å; L246-R250 PolarHBondContact N-O 2.94Å; D248-R250 VanDerWaalsContact C-N 3.34Å; D248-R250 WeakPolarHBondContact OD1-CB 3.29Å; D248-R250 WeakPolarHBondContact OD1-CG 3.4Å; D248-R250 PolarHBondContact OD1-N 2.75Å; D248-R250 WeakPolarHBondContact OD2-CD 3.41Å; D248-R250 WeakPolarHBondContact OD2-CG 3.49Å; D248-R250 IonicContact OD2-CZ 3.02Å; D248-R250 IonicContact OD2-NE 2.91Å; D248-R250 PolarHBondContact OD2-NE 3.47Å; D248-R250 IonicContact OD2-NH1 3.47Å
251M93.9Very high94.4Very high143 Ų14356.7 Ų56.770%0.70430%0.303SS*.EExtended strand (participates in β ladder)trans-97.6128.3173.5-67.5-170.6-62.500110.6Y244 T245Y244-M251 WeakPolarHBondContact O-CA 3.44Å; T245-M251 HydrophobicContact CG2-CG 4.47Å
252I94.9Very high94.5Very high7 Ų754.3 Ų54.34%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-112.8159.5172.868.5166.4000110.4Y202 F204 M216 S243 Y244 L246 V254Y202-I252 HydrophobicContact CD1-CB 4.43Å; Y202-I252 HydrophobicContact CD1-CG2 3.97Å; Y202-I252 HydrophobicContact CD2-CB 4.49Å; Y202-I252 HydrophobicContact CE1-CB 3.96Å; Y202-I252 HydrophobicContact CE1-CG2 3.81Å; Y202-I252 HydrophobicContact CE2-CB 3.98Å; Y202-I252 HydrophobicContact CG-CG2 4.43Å; F204-I252 HydrophobicContact CE2-CD1 4.1Å; F204-I252 HydrophobicContact CZ-CD1 3.94Å; M216-I252 HydrophobicContact CE-CD1 3.29Å; M216-I252 HydrophobicContact CE-CG1 4.42Å; M216-I252 HydrophobicContact SD-CD1 3.87Å; S243-I252 CarbonylContact C-O 3.33Å; S243-I252 WeakPolarHBondContact CA-O 3.34Å; Y244-I252 PolarHBondContact N-O 3.32Å; Y244-I252 PolarHBondContact O-N 3.33Å; L246-I252 HydrophobicContact CD1-CG2 3.78Å; L246-I252 HydrophobicContact CD2-CD1 4.34Å; L246-I252 HydrophobicContact CG-CG2 4.18Å; I252-V254 HydrophobicContact CD1-CG2 4.08Å; I252-V254 HydrophobicContact CG1-CG2 4.3Å
253K95.3Very high94.6Very high119 Ų11950.2 Ų50.252%0.51727%0.269SS..EExtended strand (participates in β ladder)trans-110.5129.2176.4-66.9-175.2179.3-176.60109.9R200 Y202 V241 E242R200-K253 VanDerWaalsContact CZ-O 3.24Å; R200-K253 PolarHBondContact NH1-O 3.47Å; Y202-K253 WeakPolarHBondContact CE2-O 3.47Å; Y202-K253 PolarHBondContact OH-N 2.98Å; V241-K253 HydrophobicContact CG1-CB 3.9Å; V241-K253 HydrophobicContact CG1-CD 4.11Å; V241-K253 HydrophobicContact CG1-CG 4.26Å; E242-K253 CarbonylContact O-C 3.56Å; E242-K253 WeakPolarHBondContact O-CA 3.25Å
254V95.9Very high94.7Very high1 Ų146.8 Ų46.81%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-121.9124.8179.3-1620000108.5L197 R200 M216 L220 V241 E242 I252 E257 R258L197-V254 HydrophobicContact CD2-CG1 4.31Å; L197-V254 HydrophobicContact CD2-CG2 4.38Å; R200-V254 VanDerWaalsContact NH1-CA 3.27Å; M216-V254 HydrophobicContact CG-CG2 4.46Å; M216-V254 HydrophobicContact SD-CG2 3.77Å; L220-V254 HydrophobicContact CD1-CB 4.11Å; L220-V254 HydrophobicContact CD1-CG2 3.97Å; V241-V254 WeakPolarHBondContact CA-O 3.5Å; E242-V254 PolarHBondContact N-O 3.14Å; E242-V254 PolarHBondContact O-N 3.02Å; I252-V254 HydrophobicContact CD1-CG2 4.08Å; I252-V254 HydrophobicContact CG1-CG2 4.3Å; V254-E257 HydrophobicContact CG1-CB 4.29Å; V254-R258 HydrophobicContact CB-CG 4.28Å; V254-R258 HydrophobicContact CG1-CG 3.72Å
255G95.9Very high94.8Very high2 Ų245.7 Ų45.72%0.02124%0.241CC..  trans-125.1-111.6-171.200000110.9E257 R258G255-E257 WeakPolarHBondContact CA-OE2 3.24Å; G255-E257 PolarHBondContact N-OE2 2.68Å; G255-E257 PolarHBondContact O-N 3.1Å; G255-R258 VanDerWaalsContact O-CB 3.23Å; G255-R258 WeakPolarHBondContact O-CB 3.37Å; G255-R258 WeakPolarHBondContact O-CD 3.44Å; G255-R258 WeakPolarHBondContact O-CG 3.42Å; G255-R258 PolarHBondContact O-N 2.87Å; G255-R258 VanDerWaalsContact O-N 3.1Å
256G95.5Very high94.9Very high12 Ų1242 Ų4212%0.12422%0.218CC..THydrogen-bonded Turntrans-58.9-27-179.300000114.2R258 F259 E260G256-R258 PolarHBondContact O-N 2.92Å; G256-F259 VanDerWaalsContact O-CD1 3.23Å; G256-F259 WeakPolarHBondContact O-CD1 2.99Å; G256-F259 WeakPolarHBondContact O-CE1 3.06Å; G256-F259 PolarHBondContact O-N 3.1Å; G256-F259 VanDerWaalsContact O-N 3.1Å; G256-E260 WeakPolarHBondContact O-CG 3.14Å; G256-E260 PolarHBondContact O-N 3.07Å; G256-E260 VanDerWaalsContact O-N 3.08Å
257E96.3Very high95.1Very high21 Ų2144.3 Ų44.310%0.09823%0.228CC..Hα-helixtrans-59.6-21.8178.4-49.183171.400112.1L193 L196 R200 V254 G255 F259 A261L193-E257 HydrophobicContact CD1-CB 3.97Å; L196-E257 HydrophobicContact CB-CB 4.09Å; L196-E257 HydrophobicContact CB-CG 3.85Å; L196-E257 HydrophobicContact CD1-CB 4.2Å; R200-E257 WeakPolarHBondContact CD-OE1 3.39Å; R200-E257 WeakPolarHBondContact CG-OE1 3.31Å; R200-E257 IonicContact CZ-OE1 3.12Å; R200-E257 IonicContact CZ-OE2 3.36Å; R200-E257 IonicContact NE-OE1 3.96Å; R200-E257 PolarHBondContact NE-OE1 2.92Å; R200-E257 IonicContact NH1-OE1 2.64Å; R200-E257 PolarHBondContact NH1-OE1 3.23Å; R200-E257 IonicContact NH1-OE2 3.27Å; R200-E257 PolarHBondContact NH1-OE2 3.41Å; V254-E257 HydrophobicContact CG1-CB 4.29Å; G255-E257 WeakPolarHBondContact CA-OE2 3.24Å; G255-E257 PolarHBondContact N-OE2 2.68Å; G255-E257 PolarHBondContact O-N 3.1Å; E257-F259 VanDerWaalsContact C-N 3.35Å; E257-F259 PolarHBondContact O-N 3.15Å; E257-A261 WeakPolarHBondContact O-CB 3.27Å; E257-A261 PolarHBondContact O-N 3.22Å; E257-A261 VanDerWaalsContact O-N 3.13Å
258R97.4Very high95.6Very high39 Ų3939.3 Ų39.315%0.14720%0.195CC..Hα-helixtrans-61.1-38.8177.6-65.9170.861.7-164.40.6112.7L220 C221 Y222 L240 V254 G255 G256 P262L220-R258 HydrophobicContact CB-CG 4.31Å; L220-R258 PolarHBondContact O-NE 3.13Å; L220-R258 PolarHBondContact O-NH2 3.5Å; C221-R258 WeakPolarHBondContact CA-O 3.19Å; C221-R258 VanDerWaalsContact CB-O 3.23Å; C221-R258 WeakPolarHBondContact CB-O 3.33Å; C221-R258 PolarHBondContact SG-O 3.17Å; Y222-R258 HydrophobicContact CD1-CB 3.98Å; Y222-R258 HydrophobicContact CE1-CB 3.75Å; Y222-R258 PolarHBondContact N-O 2.97Å; Y222-R258 VanDerWaalsContact N-O 3.08Å; L240-R258 WeakPolarHBondContact O-CD 3.46Å; L240-R258 PolarHBondContact O-NH1 2.93Å; V254-R258 HydrophobicContact CB-CG 4.28Å; V254-R258 HydrophobicContact CG1-CG 3.72Å; G255-R258 VanDerWaalsContact O-CB 3.23Å; G255-R258 WeakPolarHBondContact O-CB 3.37Å; G255-R258 WeakPolarHBondContact O-CD 3.44Å; G255-R258 WeakPolarHBondContact O-CG 3.42Å; G255-R258 PolarHBondContact O-N 2.87Å; G255-R258 VanDerWaalsContact O-N 3.1Å; G256-R258 PolarHBondContact O-N 2.92Å; R258-P262 VanDerWaalsContact O-CD 3.32Å; R258-P262 WeakPolarHBondContact O-CD 3.3Å
259F97.6Very high96Very high1 Ų140.3 Ų40.30%0.00420%0.197CC..Hα-helixtrans-101.6-27.2177.573.8-95000113.1Y222 I227 E230 Q231 A234 L240 G256 E257 A261 P262 E263Y222-F259 HydrophobicContact CD2-CB 4.21Å; Y222-F259 HydrophobicContact CE1-CB 4.17Å; Y222-F259 HydrophobicContact CE2-CB 3.77Å; Y222-F259 VanDerWaalsContact O-CA 3.32Å; Y222-F259 WeakPolarHBondContact O-CA 3.36Å; Y222-F259 WeakPolarHBondContact OH-CD1 3.46Å; I227-F259 HydrophobicContact CD1-CD2 4.01Å; I227-F259 HydrophobicContact CD1-CE2 4.4Å; E230-F259 HydrophobicContact CB-CD1 3.98Å; E230-F259 HydrophobicContact CB-CD2 3.92Å; E230-F259 HydrophobicContact CB-CE1 3.76Å; E230-F259 HydrophobicContact CB-CE2 3.71Å; E230-F259 HydrophobicContact CB-CG 4.07Å; E230-F259 HydrophobicContact CB-CZ 3.63Å; Q231-F259 HydrophobicContact CG-CE2 4.16Å; Q231-F259 HydrophobicContact CG-CZ 4.03Å; A234-F259 HydrophobicContact CB-CE1 4.14Å; A234-F259 HydrophobicContact CB-CZ 4.49Å; L240-F259 HydrophobicContact CD1-CD1 4.25Å; L240-F259 HydrophobicContact CD1-CE1 3.98Å; G256-F259 VanDerWaalsContact O-CD1 3.23Å; G256-F259 WeakPolarHBondContact O-CD1 2.99Å; G256-F259 WeakPolarHBondContact O-CE1 3.06Å; G256-F259 PolarHBondContact O-N 3.1Å; G256-F259 VanDerWaalsContact O-N 3.1Å; E257-F259 VanDerWaalsContact C-N 3.35Å; E257-F259 PolarHBondContact O-N 3.15Å; F259-A261 VanDerWaalsContact C-N 3.33Å; F259-A261 PolarHBondContact O-N 2.83Å; F259-P262 WeakPolarHBondContact O-CD 3.18Å; F259-E263 PolarHBondContact O-N 2.96Å
260E97.2Very high96.2Very high64 Ų6440.2 Ų40.230%0.29918%0.184SC..Hα-helixtrans-64.2-37.7176.8-69.6171.9177.700111.8Y192 L196 G256 E263Y192-E260 WeakPolarHBondContact CE1-O 3.41Å; L196-E260 HydrophobicContact CD1-CB 3.82Å; G256-E260 WeakPolarHBondContact O-CG 3.14Å; G256-E260 PolarHBondContact O-N 3.07Å; G256-E260 VanDerWaalsContact O-N 3.08Å; E260-E263 WeakPolarHBondContact O-CB 3.31Å; E260-E263 PolarHBondContact O-N 2.86Å
261A97.5Very high96.4Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-63.2-52.6-179.300000112.7I189 Y192 L193 L196 E257 F259 E263 A264I189-A261 HydrophobicContact CG2-CB 4.13Å; Y192-A261 HydrophobicContact CD1-CB 4.45Å; L193-A261 HydrophobicContact CB-CB 3.9Å; L193-A261 HydrophobicContact CD1-CB 4Å; L193-A261 HydrophobicContact CG-CB 4.46Å; L196-A261 HydrophobicContact CD1-CB 4.04Å; E257-A261 WeakPolarHBondContact O-CB 3.27Å; E257-A261 PolarHBondContact O-N 3.22Å; E257-A261 VanDerWaalsContact O-N 3.13Å; F259-A261 VanDerWaalsContact C-N 3.33Å; F259-A261 PolarHBondContact O-N 2.83Å; A261-E263 PolarHBondContact O-N 2.84Å; A261-A264 PolarHBondContact O-N 2.83Å
262P97.8Very high96.4Very high0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-66.7-17.4175.3-24.337.3000114.7I189 C221 Y222 V223 R258 F259 A264 L265 Y310I189-P262 HydrophobicContact CG2-CG 4.49Å; C221-P262 HydrophobicContact CB-CG 3.77Å; Y222-P262 WeakPolarHBondContact O-CG 3.42Å; V223-P262 HydrophobicContact CG2-CB 3.78Å; R258-P262 VanDerWaalsContact O-CD 3.32Å; R258-P262 WeakPolarHBondContact O-CD 3.3Å; F259-P262 WeakPolarHBondContact O-CD 3.18Å; P262-A264 PolarHBondContact O-N 3.3Å; P262-A264 VanDerWaalsContact O-N 3.15Å; P262-L265 WeakPolarHBondContact O-CB 3.36Å; P262-L265 PolarHBondContact O-N 2.86Å; P262-Y310 HydrophobicContact CB-CD1 4.43Å; P262-Y310 HydrophobicContact CB-CD2 4.26Å; P262-Y310 HydrophobicContact CB-CE2 4.34Å; P262-Y310 HydrophobicContact CB-CG 4.33Å; P262-Y310 HydrophobicContact CG-CD1 3.93Å; P262-Y310 HydrophobicContact CG-CE1 3.87Å; P262-Y310 HydrophobicContact CG-CG 4.31Å
263E97.8Very high96.3Very high5 Ų534.8 Ų34.82%0.02317%0.172CC..Hα-helixtrans-61.2-22.9177.1-169.857.6-161.700112.3I227 F259 E260 A261 L265 F266 Q267 L270 R316I227-E263 VanDerWaalsContact CD1-CD 3.5Å; I227-E263 HydrophobicContact CD1-CG 4.08Å; I227-E263 WeakPolarHBondContact CD1-OE2 3.44Å; I227-E263 HydrophobicContact CG1-CG 4.36Å; F259-E263 PolarHBondContact O-N 2.96Å; E260-E263 WeakPolarHBondContact O-CB 3.31Å; E260-E263 PolarHBondContact O-N 2.86Å; A261-E263 PolarHBondContact O-N 2.84Å; E263-L265 PolarHBondContact O-N 3.35Å; E263-F266 CarbonylContact O-C 3.4Å; E263-F266 PolarHBondContact O-N 3.24Å; E263-Q267 HydrophobicContact CG-CB 4.43Å; E263-Q267 HydrophobicContact CG-CG 4.33Å; E263-Q267 PolarHBondContact O-N 2.96Å; E263-L270 HydrophobicContact CB-CD1 4.15Å; E263-L270 HydrophobicContact CG-CD1 4.04Å; E263-R316 IonicContact OE1-CZ 3.72Å; E263-R316 IonicContact OE1-NH1 3.12Å; E263-R316 PolarHBondContact OE1-NH1 2.92Å; E263-R316 IonicContact OE1-NH2 3.31Å; E263-R316 PolarHBondContact OE1-NH2 3.01Å; E263-R316 IonicContact OE2-CZ 2.71Å; E263-R316 IonicContact OE2-NH1 3.63Å; E263-R316 PolarHBondContact OE2-NH1 2.92Å; E263-R316 IonicContact OE2-NH2 2.68Å
264A97.2Very high96Very high0 Ų038.1 Ų38.10%019%0.189CC..THydrogen-bonded Turntrans-56-23172.200000113.8I184 Y192 A261 P262 F266 Q267 I271I184-A264 WeakPolarHBondContact CD1-O 3.49Å; Y192-A264 HydrophobicContact CD1-CB 3.96Å; Y192-A264 HydrophobicContact CE1-CB 4.32Å; A261-A264 PolarHBondContact O-N 2.83Å; P262-A264 PolarHBondContact O-N 3.3Å; P262-A264 VanDerWaalsContact O-N 3.15Å; A264-F266 VanDerWaalsContact C-N 3.33Å; A264-Q267 CarbonylContact O-C 3.57Å; A264-I271 HydrophobicContact CB-CD1 4.38Å; A264-I271 HydrophobicContact CB-CG1 4.39Å; A264-I271 HydrophobicContact CB-CG2 4.07Å
265L97.5Very high95.8Very high4 Ų440.9 Ų40.92%0.02122%0.218CC..THydrogen-bonded Turntrans-67.9-32.6172.8-71.7171.2000112.7I184 I189 P262 E263 G277 V278 Y310 L313I184-L265 HydrophobicContact CG2-CD2 4.05Å; I189-L265 HydrophobicContact CD1-CD1 3.77Å; I189-L265 HydrophobicContact CD1-CD2 4.03Å; I189-L265 HydrophobicContact CD1-CG 3.74Å; I189-L265 HydrophobicContact CG1-CG 4.46Å; P262-L265 WeakPolarHBondContact O-CB 3.36Å; P262-L265 PolarHBondContact O-N 2.86Å; E263-L265 PolarHBondContact O-N 3.35Å; L265-G277 CarbonylContact O-C 3.58Å; L265-G277 WeakPolarHBondContact O-CA 3.44Å; L265-V278 HydrophobicContact CB-CG1 4.23Å; L265-V278 WeakPolarHBondContact O-CG1 3.47Å; L265-V278 PolarHBondContact O-N 3.43Å; L265-Y310 HydrophobicContact CD1-CD2 4.36Å; L265-Y310 HydrophobicContact CD1-CE2 4.18Å; L265-L313 HydrophobicContact CD1-CD1 4.22Å
266F97.6Very high95.8Very high9 Ų942.9 Ų42.94%0.03923%0.23CC..THydrogen-bonded Turntrans-96.5-26.6-179.8-62.9-90000111.6V223 E263 A264 P268 G277 V278 A279 R316 L317 E320V223-F266 HydrophobicContact CG1-CD2 4.44Å; V223-F266 HydrophobicContact CG1-CE2 3.64Å; V223-F266 HydrophobicContact CG1-CZ 4.13Å; V223-F266 HydrophobicContact CG2-CE2 4.22Å; E263-F266 CarbonylContact O-C 3.4Å; E263-F266 PolarHBondContact O-N 3.24Å; A264-F266 VanDerWaalsContact C-N 3.33Å; F266-P268 WeakPolarHBondContact O-CD 3.44Å; F266-G277 VanDerWaalsContact O-CA 3.25Å; F266-G277 WeakPolarHBondContact O-CA 3.26Å; F266-V278 HydrophobicContact CD1-CG1 4.02Å; F266-V278 HydrophobicContact CE1-CG1 3.85Å; F266-V278 HydrophobicContact CE2-CG1 4.46Å; F266-V278 HydrophobicContact CG-CG1 4.41Å; F266-V278 HydrophobicContact CZ-CG1 4.08Å; F266-A279 HydrophobicContact CD1-CB 4.07Å; F266-A279 HydrophobicContact CE1-CB 4.11Å; F266-R316 HydrophobicContact CD1-CG 4.23Å; F266-R316 HydrophobicContact CE1-CG 3.61Å; F266-R316 HydrophobicContact CE2-CG 4Å; F266-R316 HydrophobicContact CZ-CB 4.2Å; F266-R316 HydrophobicContact CZ-CG 3.49Å; F266-R316 VanDerWaalsContact CZ-CG 3.49Å; F266-L317 HydrophobicContact CE1-CD2 3.88Å; F266-L317 HydrophobicContact CE1-CG 4.19Å; F266-L317 HydrophobicContact CZ-CD2 4.29Å; F266-L317 HydrophobicContact CZ-CG 4.2Å; F266-E320 WeakPolarHBondContact CD1-OE2 3.48Å
267Q96.6Very high95.9Very high70 Ų7042.4 Ų42.433%0.32723%0.225SC..  trans-127.177.5-179.5-68.1-172.1-27.400111.3E263 A264 H269 L270E263-Q267 HydrophobicContact CG-CB 4.43Å; E263-Q267 HydrophobicContact CG-CG 4.33Å; E263-Q267 PolarHBondContact O-N 2.96Å; A264-Q267 CarbonylContact O-C 3.57Å; Q267-H269 PolarHBondContact O-N 3.47Å; Q267-L270 HydrophobicContact CB-CD1 3.79Å; Q267-L270 HydrophobicContact CB-CG 3.91Å; Q267-L270 WeakPolarHBondContact O-CB 3.37Å; Q267-L270 WeakPolarHBondContact O-CG 3.42Å; Q267-L270 PolarHBondContact O-N 3.32Å; Q267-L270 VanDerWaalsContact O-N 3.1Å
268P96.3Very high95.9Very high4 Ų441.8 Ų41.83%0.02622%0.223CC..G310 helixtrans-50.6-32.8179.1-33.839.5000115.4L182 I184 F266 L270 I271 V273L182-P268 HydrophobicContact CD1-CG 4.29Å; I184-P268 HydrophobicContact CD1-CB 3.53Å; I184-P268 HydrophobicContact CD1-CG 3.76Å; F266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-L270 PolarHBondContact O-N 3.42Å; P268-L270 VanDerWaalsContact O-N 3.13Å; P268-I271 VanDerWaalsContact O-CG1 3.25Å; P268-I271 WeakPolarHBondContact O-CG1 3.37Å; P268-I271 PolarHBondContact O-N 2.96Å; P268-I271 VanDerWaalsContact O-N 3.15Å; P268-V273 CarbonylContact C-O 3.55Å; P268-V273 HydrophobicContact CB-CB 4.19Å; P268-V273 HydrophobicContact CB-CG1 4.31Å; P268-V273 VanDerWaalsContact CB-O 3.31Å; P268-V273 WeakPolarHBondContact CB-O 3.49Å; P268-V273 PolarHBondContact O-N 2.98Å; P268-V273 VanDerWaalsContact O-N 3.15Å
269H95.9Very high96Very high117 Ų11740 Ų4054%0.54222%0.216SC..G310 helixtrans-61.4-22.6-178.762.175.9000113.6Q267 I271 N272Q267-H269 PolarHBondContact O-N 3.47Å; H269-I271 PolarHBondContact O-N 3.22Å; H269-N272 PolarHBondContact O-N 3.27Å; H269-N272 VanDerWaalsContact O-N 3.1Å
270L94.9Very high96Very high48 Ų4842.1 Ų42.125%0.25123%0.226SC..G310 helixtrans-61.3-27.1177.5-66177.2000112.9Y192 E263 Q267 P268Y192-L270 HydrophobicContact CE1-CB 4.23Å; Y192-L270 HydrophobicContact CE1-CD1 4.41Å; E263-L270 HydrophobicContact CB-CD1 4.15Å; 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 3.37Å; Q267-L270 WeakPolarHBondContact O-CG 3.42Å; Q267-L270 PolarHBondContact O-N 3.32Å; Q267-L270 VanDerWaalsContact O-N 3.1Å; P268-L270 PolarHBondContact O-N 3.42Å; P268-L270 VanDerWaalsContact O-N 3.13Å
271I94.9Very high96Very high34 Ų3440.2 Ų40.217%0.17422%0.218CC..G310 helixtrans-112.318.9178.258.3165.2000112.3I184 D188 Y192 A264 P268 H269 V273I184-I271 HydrophobicContact CD1-CD1 3.88Å; I184-I271 HydrophobicContact CD1-CG1 4.34Å; I184-I271 HydrophobicContact CG1-CD1 3.95Å; I184-I271 HydrophobicContact CG2-CD1 3.96Å; D188-I271 HydrophobicContact CB-CD1 4.02Å; Y192-I271 HydrophobicContact CD1-CG2 3.87Å; Y192-I271 HydrophobicContact CD2-CG2 3.62Å; Y192-I271 HydrophobicContact CE1-CG2 4.44Å; Y192-I271 HydrophobicContact CE2-CG2 4.24Å; Y192-I271 HydrophobicContact CG-CG2 3.43Å; Y192-I271 VanDerWaalsContact CG-CG2 3.43Å; A264-I271 HydrophobicContact CB-CD1 4.38Å; A264-I271 HydrophobicContact CB-CG1 4.39Å; A264-I271 HydrophobicContact CB-CG2 4.07Å; P268-I271 VanDerWaalsContact O-CG1 3.25Å; P268-I271 WeakPolarHBondContact O-CG1 3.37Å; P268-I271 PolarHBondContact O-N 2.96Å; P268-I271 VanDerWaalsContact O-N 3.15Å; H269-I271 PolarHBondContact O-N 3.22Å; I271-V273 VanDerWaalsContact C-N 3.25Å; I271-V273 HydrophobicContact CD1-CB 4.49Å; I271-V273 HydrophobicContact CD1-CG2 3.78Å; I271-V273 HydrophobicContact CG1-CB 4.22Å; I271-V273 HydrophobicContact CG1-CG2 3.8Å; I271-V273 PolarHBondContact O-N 3.35Å
272N93.8Very high96Very high141 Ų14140.2 Ų40.275%0.75422%0.218SC*.THydrogen-bonded Turntrans58.332.9-177.9-53.9-47.3000113.8H269H269-N272 PolarHBondContact O-N 3.27Å; H269-N272 VanDerWaalsContact O-N 3.1Å
273V92.9Very high96.1Very high40 Ų4040.6 Ų40.624%0.24222%0.22CC..  trans-97.6128.8172.7174.20000108.7I184 P268 I271I184-V273 HydrophobicContact CD1-CB 3.99Å; I184-V273 HydrophobicContact CD1-CG1 3.93Å; I184-V273 HydrophobicContact CD1-CG2 4.4Å; I184-V273 HydrophobicContact CG1-CB 4.28Å; I184-V273 HydrophobicContact CG1-CG1 3.97Å; I184-V273 HydrophobicContact CG1-CG2 4.28Å; P268-V273 CarbonylContact C-O 3.55Å; P268-V273 HydrophobicContact CB-CB 4.19Å; P268-V273 HydrophobicContact CB-CG1 4.31Å; P268-V273 VanDerWaalsContact CB-O 3.31Å; P268-V273 WeakPolarHBondContact CB-O 3.49Å; P268-V273 PolarHBondContact O-N 2.98Å; P268-V273 VanDerWaalsContact O-N 3.15Å; I271-V273 VanDerWaalsContact C-N 3.25Å; I271-V273 HydrophobicContact CD1-CB 4.49Å; I271-V273 HydrophobicContact CD1-CG2 3.78Å; I271-V273 HydrophobicContact CG1-CB 4.22Å; I271-V273 HydrophobicContact CG1-CG2 3.8Å; I271-V273 PolarHBondContact O-N 3.35Å
274E90.4Very high96Very high188 Ų18843.2 Ų43.288%0.87923%0.234SC*.  trans-74.3142.1173.6-64.8-175174.300110.7
275G90.9Very high96.1Very high59 Ų5943.3 Ų43.361%0.60823%0.234SC*.SBendtrans128.1-176.3177.500000112.9
276V96.4Very high96.1Very high44 Ų4443.1 Ų43.127%0.26723%0.233SC..  trans-100.6154179.6-61.20000110.3E280 L281V276-E280 HydrophobicContact CB-CB 4.01Å; V276-E280 HydrophobicContact CB-CG 3.84Å; V276-E280 HydrophobicContact CG1-CG 4.07Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.41Å; V276-E280 HydrophobicContact CG2-CB 4.28Å; V276-E280 HydrophobicContact CG2-CG 4.06Å; V276-L281 HydrophobicContact CG2-CB 3.94Å; V276-L281 HydrophobicContact CG2-CD1 3.95Å
277G96.5Very high96Very high3 Ų344.3 Ų44.33%0.03124%0.24CC..  trans-64.3167.2176.700000113.6L265 F266 A279 E280 L281L265-G277 CarbonylContact O-C 3.58Å; L265-G277 WeakPolarHBondContact O-CA 3.44Å; F266-G277 VanDerWaalsContact O-CA 3.25Å; F266-G277 WeakPolarHBondContact O-CA 3.26Å; G277-A279 VanDerWaalsContact C-N 3.27Å; G277-A279 PolarHBondContact O-N 3.14Å; G277-E280 PolarHBondContact O-N 3.28Å; G277-L281 VanDerWaalsContact O-CB 3.32Å; G277-L281 WeakPolarHBondContact O-CB 3.43Å; G277-L281 PolarHBondContact O-N 3.21Å
278V97.6Very high96Very high8 Ų843.5 Ų43.55%0.04825%0.245CC..Hα-helixtrans-55.6-37.4-177.363.10000113.4V157 T164 I166 L182 L265 F266 L282 L317V157-V278 HydrophobicContact CG1-CG2 3.8Å; T164-V278 HydrophobicContact CG2-CG2 4.25Å; I166-V278 HydrophobicContact CD1-CG2 4.48Å; L182-V278 HydrophobicContact CD2-CB 4.4Å; L265-V278 HydrophobicContact CB-CG1 4.23Å; L265-V278 WeakPolarHBondContact O-CG1 3.47Å; L265-V278 PolarHBondContact O-N 3.43Å; F266-V278 HydrophobicContact CD1-CG1 4.02Å; F266-V278 HydrophobicContact CE1-CG1 3.85Å; F266-V278 HydrophobicContact CE2-CG1 4.46Å; F266-V278 HydrophobicContact CG-CG1 4.41Å; F266-V278 HydrophobicContact CZ-CG1 4.08Å; V278-L282 VanDerWaalsContact O-CB 3.24Å; V278-L282 WeakPolarHBondContact O-CB 3.48Å; V278-L282 PolarHBondContact O-N 3.14Å; V278-L317 HydrophobicContact CG1-CD2 4.04Å
279A97.9Very high96Very high0 Ų043.5 Ų43.50%025%0.245CC..Hα-helixtrans-69.3-47.7179.500000112.2F266 G277 L282 F283 L317 E320 L321F266-A279 HydrophobicContact CD1-CB 4.07Å; F266-A279 HydrophobicContact CE1-CB 4.11Å; G277-A279 VanDerWaalsContact C-N 3.27Å; G277-A279 PolarHBondContact O-N 3.14Å; A279-L282 WeakPolarHBondContact O-CB 3.23Å; A279-L282 PolarHBondContact O-N 3.33Å; A279-F283 PolarHBondContact O-N 3.02Å; A279-L317 HydrophobicContact CB-CD2 3.92Å; A279-E320 HydrophobicContact CB-CB 3.81Å; A279-E320 VanDerWaalsContact CB-CD 3.49Å; A279-E320 HydrophobicContact CB-CG 3.65Å; A279-E320 WeakPolarHBondContact CB-OE1 3.43Å; A279-L321 WeakPolarHBondContact O-CD2 3.36Å
280E97.8Very high95.9Very high47 Ų4743.8 Ų43.822%0.2225%0.251CS..Hα-helixtrans-67.8-38.1177178.8169.9-161.600111.6V276 G277 L282 F283 N284 L324 R328V276-E280 HydrophobicContact CB-CB 4.01Å; V276-E280 HydrophobicContact CB-CG 3.84Å; V276-E280 HydrophobicContact CG1-CG 4.07Å; V276-E280 WeakPolarHBondContact CG1-OE2 3.41Å; V276-E280 HydrophobicContact CG2-CB 4.28Å; V276-E280 HydrophobicContact CG2-CG 4.06Å; G277-E280 PolarHBondContact O-N 3.28Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 3.3Å; E280-F283 PolarHBondContact O-N 2.75Å; E280-N284 WeakPolarHBondContact O-CB 3.47Å; E280-N284 PolarHBondContact O-N 2.74Å; E280-N284 PolarHBondContact O-ND2 2.85Å; E280-L324 HydrophobicContact CB-CD1 4.12Å; E280-R328 IonicContact OE1-CZ 2.64Å; E280-R328 IonicContact OE1-NH1 3.8Å; E280-R328 PolarHBondContact OE1-NH1 3.14Å; E280-R328 IonicContact OE1-NH2 2.91Å; E280-R328 PolarHBondContact OE1-NH2 3.09Å
281L97.9Very high95.8Very high23 Ų2347.6 Ų47.612%0.1227%0.27CS..Hα-helixtrans-60.9-42174.1-166.865.3000111.2I166 R180 L182 V276 G277 N284 T285I166-L281 HydrophobicContact CD1-CB 3.76Å; I166-L281 HydrophobicContact CD1-CD2 3.86Å; I166-L281 HydrophobicContact CD1-CG 3.76Å; I166-L281 HydrophobicContact CG1-CD2 4.33Å; R180-L281 HydrophobicContact CB-CD1 3.92Å; R180-L281 HydrophobicContact CB-CD2 4.11Å; R180-L281 HydrophobicContact CB-CG 3.98Å; R180-L281 HydrophobicContact CG-CD1 4.24Å; L182-L281 HydrophobicContact CB-CD2 3.86Å; V276-L281 HydrophobicContact CG2-CB 3.94Å; V276-L281 HydrophobicContact CG2-CD1 3.95Å; G277-L281 VanDerWaalsContact O-CB 3.32Å; G277-L281 WeakPolarHBondContact O-CB 3.43Å; G277-L281 PolarHBondContact O-N 3.21Å; L281-N284 PolarHBondContact O-N 3.28Å; L281-T285 VanDerWaalsContact O-CB 3.3Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 2.61Å; L281-T285 PolarHBondContact O-OG1 2.94Å
282L98.2Very high95.7Very high0 Ų053.1 Ų53.10%030%0.3CS..Hα-helixtrans-63.1-49176.5179.754.8000111.5V155 V157 I166 V278 A279 E280 N284 T285 I286 I301 L321V155-L282 HydrophobicContact CB-CD1 4.37Å; V155-L282 HydrophobicContact CG1-CD1 3.57Å; V157-L282 HydrophobicContact CG2-CD1 4.01Å; V157-L282 HydrophobicContact CG2-CD2 3.81Å; V157-L282 HydrophobicContact CG2-CG 4.48Å; I166-L282 VanDerWaalsContact CD1-CA 3.49Å; I166-L282 HydrophobicContact CD1-CB 3.75Å; I166-L282 HydrophobicContact CD1-CD1 4.48Å; I166-L282 VanDerWaalsContact CD1-N 3.28Å; I166-L282 HydrophobicContact CG2-CD1 3.68Å; V278-L282 VanDerWaalsContact O-CB 3.24Å; V278-L282 WeakPolarHBondContact O-CB 3.48Å; V278-L282 PolarHBondContact O-N 3.14Å; A279-L282 WeakPolarHBondContact O-CB 3.23Å; A279-L282 PolarHBondContact O-N 3.33Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 3.3Å; L282-N284 PolarHBondContact O-N 3.38Å; L282-T285 PolarHBondContact O-N 2.93Å; L282-I286 HydrophobicContact CD1-CD1 3.85Å; L282-I286 HydrophobicContact CD1-CG1 4.23Å; L282-I286 HydrophobicContact CG-CD1 4.12Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 2.85Å; L282-I301 HydrophobicContact CD2-CD1 4.21Å; L282-I301 HydrophobicContact CD2-CG2 3.92Å; L282-L321 HydrophobicContact CB-CD2 4.37Å; L282-L321 HydrophobicContact CD2-CD1 3.77Å; L282-L321 HydrophobicContact CD2-CD2 4.35Å; L282-L321 HydrophobicContact CG-CD1 4.4Å; L282-L321 HydrophobicContact CG-CD2 4.25Å
283F98.1Very high95.7Very high9 Ų947.3 Ų47.34%0.03927%0.27CS..Hα-helixtrans-57.5-48.5176.2176.1-96.7000111.8A279 E280 T285 I286 N287 Y298 L321 L324 Y325 R328 V329A279-F283 PolarHBondContact O-N 3.02Å; E280-F283 PolarHBondContact O-N 2.75Å; F283-T285 VanDerWaalsContact C-N 3.29Å; F283-T285 PolarHBondContact O-N 2.86Å; F283-I286 PolarHBondContact O-N 3.01Å; F283-N287 WeakPolarHBondContact CD1-ND2 3.46Å; F283-N287 VanDerWaalsContact CD2-ND2 3.27Å; F283-N287 WeakPolarHBondContact CD2-ND2 3.28Å; F283-N287 WeakPolarHBondContact CE1-ND2 3.42Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.14Å; F283-N287 WeakPolarHBondContact CG-ND2 3.05Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.37Å; F283-N287 WeakPolarHBondContact O-CB 3.19Å; F283-N287 PolarHBondContact O-N 3.35Å; F283-N287 PolarHBondContact O-ND2 3.04Å; F283-Y298 VanDerWaalsContact CD2-OH 3.3Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.47Å; F283-L321 HydrophobicContact CB-CD2 3.8Å; F283-L324 HydrophobicContact CB-CD1 3.82Å; F283-L324 HydrophobicContact CD1-CB 4.31Å; F283-L324 HydrophobicContact CD2-CB 3.86Å; F283-L324 HydrophobicContact CE2-CB 4.07Å; F283-L324 HydrophobicContact CG-CB 3.98Å; F283-L324 HydrophobicContact CG-CD1 4.11Å; F283-L324 HydrophobicContact CZ-CB 4.39Å; F283-Y325 HydrophobicContact CE2-CD2 4.27Å; F283-R328 HydrophobicContact CE1-CB 4.24Å; F283-R328 HydrophobicContact CZ-CB 4.01Å; F283-V329 HydrophobicContact CE2-CG2 3.99Å; F283-V329 HydrophobicContact CZ-CG2 3.75Å
284N97.6Very high95.9Very high60 Ų6048.9 Ų48.932%0.32127%0.272SS..Hα-helixtrans-63.3-37.9179.1-69.7-19.1000111.5E280 L281 L282 N287 A288E280-N284 WeakPolarHBondContact O-CB 3.47Å; E280-N284 PolarHBondContact O-N 2.74Å; E280-N284 PolarHBondContact O-ND2 2.85Å; L281-N284 PolarHBondContact O-N 3.28Å; L282-N284 PolarHBondContact O-N 3.38Å; N284-N287 PolarHBondContact O-N 2.77Å; N284-A288 WeakPolarHBondContact O-CB 3.2Å; N284-A288 PolarHBondContact O-N 3.19Å
285T97.4Very high96Very high1 Ų143.2 Ų43.21%0.00625%0.253CS..Hα-helixtrans-64.9-47.3177.5-59.30000111.6I166 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 3.25Å; L178-T285 WeakPolarHBondContact O-CG2 3.39Å; R180-T285 HydrophobicContact CG-CG2 4.45Å; R180-T285 WeakPolarHBondContact CG-OG1 3.31Å; L281-T285 VanDerWaalsContact O-CB 3.3Å; L281-T285 WeakPolarHBondContact O-CB 3.35Å; L281-T285 PolarHBondContact O-N 2.61Å; L281-T285 PolarHBondContact O-OG1 2.94Å; L282-T285 PolarHBondContact O-N 2.93Å; F283-T285 VanDerWaalsContact C-N 3.29Å; F283-T285 PolarHBondContact O-N 2.86Å; T285-A288 PolarHBondContact O-N 3.46Å
286I97.5Very high96.2Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-65-41.4177.8-65.4170.7000110.6V155 L282 F283 A288 A289 R294 F297 Y298 I301V155-I286 HydrophobicContact CG2-CD1 4.44Å; V155-I286 HydrophobicContact CG2-CG1 4.02Å; L282-I286 HydrophobicContact CD1-CD1 3.85Å; L282-I286 HydrophobicContact CD1-CG1 4.23Å; L282-I286 HydrophobicContact CG-CD1 4.12Å; L282-I286 WeakPolarHBondContact O-CG1 3.4Å; L282-I286 PolarHBondContact O-N 2.85Å; F283-I286 PolarHBondContact O-N 3.01Å; I286-A288 VanDerWaalsContact C-N 3.28Å; I286-A288 PolarHBondContact O-N 3.3Å; I286-A289 VanDerWaalsContact O-CB 3.31Å; I286-A289 WeakPolarHBondContact O-CB 3.47Å; I286-A289 PolarHBondContact O-N 3.34Å; I286-A289 VanDerWaalsContact O-N 3.16Å; I286-R294 HydrophobicContact CG2-CB 4.16Å; I286-R294 HydrophobicContact CG2-CG 4.43Å; I286-R294 WeakPolarHBondContact O-CG 3.42Å; I286-F297 HydrophobicContact CD1-CB 4.49Å; I286-F297 HydrophobicContact CG1-CB 4.2Å; I286-F297 HydrophobicContact CG2-CB 3.98Å; I286-Y298 HydrophobicContact CB-CE1 4.35Å; I286-Y298 HydrophobicContact CB-CE2 4.4Å; I286-Y298 HydrophobicContact CD1-CD1 3.77Å; I286-Y298 HydrophobicContact CD1-CE1 3.72Å; I286-Y298 HydrophobicContact CD1-CG 4.39Å; I286-Y298 HydrophobicContact CG2-CD1 4.37Å; I286-Y298 HydrophobicContact CG2-CD2 3.76Å; I286-Y298 HydrophobicContact CG2-CE1 4.06Å; I286-Y298 HydrophobicContact CG2-CE2 3.4Å; I286-Y298 VanDerWaalsContact CG2-CE2 3.4Å; I286-Y298 HydrophobicContact CG2-CG 4.23Å; I286-I301 HydrophobicContact CD1-CD1 4.17Å; I286-I301 HydrophobicContact CD1-CG1 4.32Å
287N95.8Very high96.3Very high35 Ų3541.7 Ų41.719%0.18723%0.227CC..Hα-helixtrans-74.1-16.2180-72-54.5000114.4F283 N284 A289 R294 Y298F283-N287 WeakPolarHBondContact CD1-ND2 3.46Å; F283-N287 VanDerWaalsContact CD2-ND2 3.27Å; F283-N287 WeakPolarHBondContact CD2-ND2 3.28Å; F283-N287 WeakPolarHBondContact CE1-ND2 3.42Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.14Å; F283-N287 WeakPolarHBondContact CG-ND2 3.05Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.37Å; F283-N287 WeakPolarHBondContact O-CB 3.19Å; F283-N287 PolarHBondContact O-N 3.35Å; F283-N287 PolarHBondContact O-ND2 3.04Å; N284-N287 PolarHBondContact O-N 2.77Å; N287-A289 VanDerWaalsContact C-N 3.29Å; N287-R294 PolarHBondContact O-NE 3.37Å; N287-R294 PolarHBondContact O-NH2 3.06Å; N287-Y298 PolarHBondContact ND2-OH 3.35Å
288A96.6Very high96.3Very high53 Ų5341.9 Ų41.944%0.43823%0.227SC..Hα-helixtrans-77.5-16.8170.500000112.6L178 N284 T285 I286L178-A288 HydrophobicContact CD2-CB 3.69Å; N284-A288 WeakPolarHBondContact O-CB 3.2Å; N284-A288 PolarHBondContact O-N 3.19Å; T285-A288 PolarHBondContact O-N 3.46Å; I286-A288 VanDerWaalsContact C-N 3.28Å; I286-A288 PolarHBondContact O-N 3.3Å
289A96.3Very high96.2Very high3 Ų344.6 Ų44.63%0.02524%0.238CC..SBendtrans-75.3167.9176.400000112.9L178 I286 N287 R294 F297L178-A289 HydrophobicContact CD1-CB 3.71Å; I286-A289 VanDerWaalsContact O-CB 3.31Å; I286-A289 WeakPolarHBondContact O-CB 3.47Å; I286-A289 PolarHBondContact O-N 3.34Å; I286-A289 VanDerWaalsContact O-N 3.16Å; N287-A289 VanDerWaalsContact C-N 3.29Å; A289-R294 VanDerWaalsContact O-CZ 3.26Å; A289-R294 PolarHBondContact O-NE 2.86Å; A289-R294 PolarHBondContact O-NH2 3.02Å; A289-F297 HydrophobicContact CB-CD2 3.94Å; A289-F297 HydrophobicContact CB-CE2 3.61Å
290D94.6Very high96.1Very high124 Ų12445.9 Ų45.966%0.66324%0.244SC*.  trans-61.7139.1175.8-66.3-25.5000111.4D292 T293 R294D290-D292 PolarHBondContact O-N 2.66Å; D290-D292 VanDerWaalsContact O-N 3.09Å; D290-T293 HydrophobicContact CB-CG2 4.32Å; D290-T293 PolarHBondContact O-N 3.34Å; D290-T293 PolarHBondContact O-OG1 3.04Å; D290-R294 WeakPolarHBondContact O-CG 3.29Å; D290-R294 PolarHBondContact O-N 3.38Å
291I92.9Very high96.2Very high127 Ų12743.7 Ų43.765%0.65123%0.233SC*.Hα-helixtrans-51.6-40.5-172.5-65.2172000111.8T293 R294I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 2.94Å; I291-R294 PolarHBondContact O-N 3.38Å
292D92.9Very high96.2Very high151 Ų15142.6 Ų42.681%0.80723%0.228SC*.Hα-helixtrans-67.6-28.6-177.5-61.2-24.3000112.8D290D290-D292 PolarHBondContact O-N 2.66Å; D290-D292 VanDerWaalsContact O-N 3.09Å
293T94.5Very high96.1Very high19 Ų1942.6 Ų42.612%0.11723%0.228CC..Hα-helixtrans-85.3-25-179.567.60000113Y170 D290 I291 S295 E296 F297Y170-T293 HydrophobicContact CD2-CG2 4.03Å; Y170-T293 HydrophobicContact CE2-CG2 3.84Å; D290-T293 HydrophobicContact CB-CG2 4.32Å; D290-T293 PolarHBondContact O-N 3.34Å; D290-T293 PolarHBondContact O-OG1 3.04Å; I291-T293 VanDerWaalsContact C-N 3.29Å; I291-T293 PolarHBondContact O-N 2.94Å; T293-S295 VanDerWaalsContact C-N 3.33Å; T293-S295 PolarHBondContact O-N 2.91Å; T293-E296 WeakPolarHBondContact O-CB 3.38Å; T293-E296 PolarHBondContact O-N 3.41Å; T293-F297 PolarHBondContact O-N 3.26Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.13Å
294R95.5Very high96.1Very high73 Ų7342.2 Ų42.228%0.27523%0.226SC..Hα-helixtrans-59-42.3-173.3-58.8-173.5-171.7168.65.1113I286 N287 A289 D290 I291 E296 F297 Y298I286-R294 HydrophobicContact CG2-CB 4.16Å; I286-R294 HydrophobicContact CG2-CG 4.43Å; I286-R294 WeakPolarHBondContact O-CG 3.42Å; N287-R294 PolarHBondContact O-NE 3.37Å; N287-R294 PolarHBondContact O-NH2 3.06Å; A289-R294 VanDerWaalsContact O-CZ 3.26Å; A289-R294 PolarHBondContact O-NE 2.86Å; A289-R294 PolarHBondContact O-NH2 3.02Å; D290-R294 WeakPolarHBondContact O-CG 3.29Å; D290-R294 PolarHBondContact O-N 3.38Å; I291-R294 PolarHBondContact O-N 3.38Å; R294-E296 PolarHBondContact O-N 3.49Å; R294-F297 PolarHBondContact O-N 3.14Å; R294-Y298 WeakPolarHBondContact O-CD2 3.03Å; R294-Y298 PolarHBondContact O-N 3.09Å
295S93.5Very high95.9Very high69 Ų6939.6 Ų39.648%0.48321%0.214SC..Hα-helixtrans-59.3-37.5178.9-1750000111.2T293 K299T293-S295 VanDerWaalsContact C-N 3.33Å; T293-S295 PolarHBondContact O-N 2.91Å; S295-K299 WeakPolarHBondContact O-CE 3.33Å; S295-K299 VanDerWaalsContact O-CG 3.28Å; S295-K299 WeakPolarHBondContact O-CG 3.26Å; S295-K299 PolarHBondContact O-N 3.21Å
296E95.1Very high95.8Very high70 Ų7041.2 Ų41.233%0.32723%0.23SC..Hα-helixtrans-75.7-40.8178.9-156.759.9-167.500111.7T153 T293 R294 Y298 K299 H300T153-E296 HydrophobicContact CG2-CB 4.41Å; T153-E296 HydrophobicContact CG2-CG 3.93Å; T293-E296 WeakPolarHBondContact O-CB 3.38Å; T293-E296 PolarHBondContact O-N 3.41Å; R294-E296 PolarHBondContact O-N 3.49Å; E296-Y298 PolarHBondContact O-N 2.91Å; E296-K299 PolarHBondContact O-N 3.25Å; E296-K299 VanDerWaalsContact O-N 3.14Å; E296-K299 IonicContact OE2-NZ 2.74Å; E296-K299 PolarHBondContact OE2-NZ 3.48Å; E296-K299 VanDerWaalsContact OE2-NZ 3.07Å; E296-H300 PolarHBondContact O-N 3.3Å; E296-H300 VanDerWaalsContact O-N 3.14Å; E296-H300 IonicContact OE1-CD2 3.61Å; E296-H300 PolarHBondContact OE1-CD2 3.4Å; E296-H300 VanDerWaalsContact OE1-CD2 3.3Å; E296-H300 IonicContact OE1-NE2 3.81Å; E296-H300 PolarHBondContact OE1-NE2 3.01Å
297F97.1Very high95.8Very high0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-59.6-42.1174-71.5-24.6000113.5T153 V155 P168 V169 L175 I286 A289 T293 R294 K299 H300 I301T153-F297 HydrophobicContact CG2-CD1 4.2Å; T153-F297 HydrophobicContact CG2-CE1 3.87Å; V155-F297 HydrophobicContact CG2-CB 3.6Å; V155-F297 HydrophobicContact CG2-CD1 3.67Å; V155-F297 HydrophobicContact CG2-CD2 4.18Å; V155-F297 HydrophobicContact CG2-CE1 4.38Å; V155-F297 HydrophobicContact CG2-CG 3.55Å; P168-F297 HydrophobicContact CB-CE1 4.42Å; P168-F297 HydrophobicContact CB-CE2 4.21Å; P168-F297 HydrophobicContact CB-CZ 3.99Å; V169-F297 WeakPolarHBondContact O-CE1 3.25Å; L175-F297 HydrophobicContact CD1-CZ 4.08Å; I286-F297 HydrophobicContact CD1-CB 4.49Å; I286-F297 HydrophobicContact CG1-CB 4.2Å; I286-F297 HydrophobicContact CG2-CB 3.98Å; A289-F297 HydrophobicContact CB-CD2 3.94Å; A289-F297 HydrophobicContact CB-CE2 3.61Å; T293-F297 PolarHBondContact O-N 3.26Å; T293-F297 WeakPolarHBondContact OG1-CE2 3.13Å; R294-F297 PolarHBondContact O-N 3.14Å; F297-K299 VanDerWaalsContact C-N 3.27Å; F297-K299 PolarHBondContact O-N 3.22Å; F297-H300 CarbonylContact O-C 3.58Å; F297-H300 PolarHBondContact O-N 3.1Å; F297-I301 WeakPolarHBondContact O-CG1 3.35Å
298Y97.1Very high95.8Very high8 Ų839.9 Ų39.93%0.03122%0.224CC..Hα-helixtrans-66.4-26.5176.6-78.9-62.5000113.7F283 I286 N287 R294 E296 I301 Y325 F340 I342 R343F283-Y298 VanDerWaalsContact CD2-OH 3.3Å; F283-Y298 WeakPolarHBondContact CD2-OH 3.47Å; I286-Y298 HydrophobicContact CB-CE1 4.35Å; I286-Y298 HydrophobicContact CB-CE2 4.4Å; I286-Y298 HydrophobicContact CD1-CD1 3.77Å; I286-Y298 HydrophobicContact CD1-CE1 3.72Å; I286-Y298 HydrophobicContact CD1-CG 4.39Å; I286-Y298 HydrophobicContact CG2-CD1 4.37Å; I286-Y298 HydrophobicContact CG2-CD2 3.76Å; I286-Y298 HydrophobicContact CG2-CE1 4.06Å; I286-Y298 HydrophobicContact CG2-CE2 3.4Å; I286-Y298 VanDerWaalsContact CG2-CE2 3.4Å; I286-Y298 HydrophobicContact CG2-CG 4.23Å; N287-Y298 PolarHBondContact ND2-OH 3.35Å; R294-Y298 WeakPolarHBondContact O-CD2 3.03Å; R294-Y298 PolarHBondContact O-N 3.09Å; E296-Y298 PolarHBondContact O-N 2.91Å; Y298-I301 HydrophobicContact CD1-CD1 4.38Å; Y298-Y325 HydrophobicContact CE2-CD2 4.41Å; Y298-Y325 HydrophobicContact CE2-CE2 4.3Å; Y298-F340 AromaticContact CD1-CE2 3.87Å; Y298-F340 HydrophobicContact CD1-CE2 3.87Å; Y298-F340 AromaticContact CD1-CZ 3.6Å; Y298-F340 HydrophobicContact CD1-CZ 3.6Å; Y298-F340 AromaticContact CD2-CE2 3.74Å; Y298-F340 HydrophobicContact CD2-CE2 3.74Å; Y298-F340 HydrophobicContact CD2-CZ 4.32Å; Y298-F340 HydrophobicContact CE1-CE2 4.18Å; Y298-F340 AromaticContact CE1-CZ 3.81Å; Y298-F340 HydrophobicContact CE1-CZ 3.81Å; Y298-F340 HydrophobicContact CE2-CE2 4.06Å; Y298-F340 HydrophobicContact CE2-CZ 4.5Å; Y298-F340 AromaticContact CG-CE2 3.64Å; Y298-F340 HydrophobicContact CG-CE2 3.64Å; Y298-F340 AromaticContact CG-CZ 3.88Å; Y298-F340 HydrophobicContact CG-CZ 3.88Å; Y298-I342 CarbonylContact O-C 3.5Å; Y298-I342 WeakPolarHBondContact O-CA 3.43Å; Y298-R343 PolarHBondContact O-N 2.88Å
299K96Very high95.9Very high64 Ų6440.9 Ų40.928%0.27822%0.22SC..Hα-helixtrans-83.6-14.4176.1-66.1170.4-155.1156.20113.5S295 E296 F297 K341 R343S295-K299 WeakPolarHBondContact O-CE 3.33Å; S295-K299 VanDerWaalsContact O-CG 3.28Å; S295-K299 WeakPolarHBondContact O-CG 3.26Å; S295-K299 PolarHBondContact O-N 3.21Å; E296-K299 PolarHBondContact O-N 3.25Å; E296-K299 VanDerWaalsContact O-N 3.14Å; E296-K299 IonicContact OE2-NZ 2.74Å; E296-K299 PolarHBondContact OE2-NZ 3.48Å; E296-K299 VanDerWaalsContact OE2-NZ 3.07Å; F297-K299 VanDerWaalsContact C-N 3.27Å; F297-K299 PolarHBondContact O-N 3.22Å; K299-K341 HydrophobicContact CG-CB 4.39Å; K299-R343 VanDerWaalsContact O-CB 3.31Å; K299-R343 WeakPolarHBondContact O-CB 3.5Å
300H96.5Very high96Very high28 Ų2841.3 Ų41.313%0.1322%0.221CC..  trans-132.656.4-174.4-67.5-62.1000110.7L151 G154 V155 E296 F297 E345L151-H300 HydrophobicContact CD1-CB 4.38Å; G154-H300 CarbonylContact C-O 3.53Å; G154-H300 WeakPolarHBondContact CA-O 3.37Å; V155-H300 PolarHBondContact N-O 2.74Å; E296-H300 PolarHBondContact O-N 3.3Å; E296-H300 VanDerWaalsContact O-N 3.14Å; E296-H300 IonicContact OE1-CD2 3.61Å; E296-H300 PolarHBondContact OE1-CD2 3.4Å; E296-H300 VanDerWaalsContact OE1-CD2 3.3Å; E296-H300 IonicContact OE1-NE2 3.81Å; E296-H300 PolarHBondContact OE1-NE2 3.01Å; F297-H300 CarbonylContact O-C 3.58Å; F297-H300 PolarHBondContact O-N 3.1Å; H300-E345 IonicContact ND1-OE1 3.38Å
301I98.2Very high96.1Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-87121.9168.7-59.6167.2000107.4V155 V157 L282 I286 F297 Y298 L321 I342 R343 I344 E345V155-I301 CarbonylContact O-C 3.56Å; V155-I301 WeakPolarHBondContact O-CA 3.34Å; V157-I301 HydrophobicContact CG2-CG2 4.12Å; L282-I301 HydrophobicContact CD2-CD1 4.21Å; L282-I301 HydrophobicContact CD2-CG2 3.92Å; I286-I301 HydrophobicContact CD1-CD1 4.17Å; I286-I301 HydrophobicContact CD1-CG1 4.32Å; F297-I301 WeakPolarHBondContact O-CG1 3.35Å; Y298-I301 HydrophobicContact CD1-CD1 4.38Å; I301-L321 HydrophobicContact CD1-CD1 3.74Å; I301-I342 HydrophobicContact CD1-CD1 4.28Å; I301-I342 HydrophobicContact CD1-CG1 4.25Å; I301-R343 PolarHBondContact N-O 2.78Å; I301-I344 HydrophobicContact CB-CG1 4.2Å; I301-I344 HydrophobicContact CD1-CG1 4.17Å; I301-I344 HydrophobicContact CG2-CG1 4.28Å; I301-I344 HydrophobicContact CG2-CG2 4.3Å; I301-I344 CarbonylContact O-C 3.57Å; I301-I344 WeakPolarHBondContact O-CA 3.31Å; I301-E345 PolarHBondContact O-N 3.32Å
302V97.9Very high96.3Very high0 Ų034.9 Ų34.90%020%0.2CC..EExtended strand (participates in β ladder)trans-118.9125.5-175.3-178.20000109.9L146 L151 V155 V156 V157 E345 M353L146-V302 HydrophobicContact CD2-CB 3.97Å; L146-V302 HydrophobicContact CD2-CG2 3.5Å; L151-V302 HydrophobicContact CD1-CG2 3.96Å; V155-V302 PolarHBondContact O-N 3.48Å; V156-V302 WeakPolarHBondContact CA-O 3.36Å; V157-V302 PolarHBondContact N-O 3.16Å; V302-E345 HydrophobicContact CG2-CB 4.45Å; V302-M353 HydrophobicContact CG1-CE 3.94Å; V302-M353 HydrophobicContact CG1-SD 3.86Å
303L97.9Very high96.6Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-89.5131178-56.7-174.1000110.8V157 T308 L313 P314 L317 I344 E345 D346 R350 M353V157-L303 HydrophobicContact CB-CD2 3.85Å; V157-L303 HydrophobicContact CG1-CD2 4.4Å; V157-L303 HydrophobicContact CG2-CD2 4.23Å; L303-T308 HydrophobicContact CB-CG2 4.26Å; L303-L313 HydrophobicContact CD1-CD2 3.63Å; L303-P314 HydrophobicContact CD1-CB 4.15Å; L303-P314 HydrophobicContact CD1-CG 3.85Å; L303-L317 HydrophobicContact CD1-CD1 4.4Å; L303-L317 HydrophobicContact CD2-CD1 3.76Å; L303-I344 HydrophobicContact CD1-CG2 3.84Å; L303-I344 HydrophobicContact CD2-CG2 3.98Å; L303-I344 HydrophobicContact CG-CG2 3.74Å; L303-E345 PolarHBondContact N-O 3.29Å; L303-D346 HydrophobicContact CD1-CB 3.94Å; L303-R350 VanDerWaalsContact O-CB 3.29Å; L303-R350 WeakPolarHBondContact O-CB 3.47Å; L303-M353 WeakPolarHBondContact O-CE 3.29Å
304S96.1Very high96.7Very high1 Ų127.8 Ų27.81%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-134.8154.9175.71720000111.3T145 V157 D158 S159 T308T145-S304 WeakPolarHBondContact CG2-OG 3.25Å; V157-S304 PolarHBondContact O-N 3.37Å; D158-S304 WeakPolarHBondContact CA-O 3.29Å; D158-S304 VanDerWaalsContact OD1-C 3.27Å; D158-S304 VanDerWaalsContact OD1-CB 3.28Å; D158-S304 WeakPolarHBondContact OD1-CB 3.28Å; D158-S304 PolarHBondContact OD1-OG 3.03Å; S159-S304 PolarHBondContact N-O 3.04Å; S304-T308 WeakPolarHBondContact O-CG2 3.47Å; S304-T308 PolarHBondContact O-OG1 2.97Å
305G94.3Very high96.8Very high6 Ų627.3 Ų27.36%0.06217%0.17CC..SBendtrans93.6157.9171.800000113.7D158 S159 S307 T308 R350D158-G305 PolarHBondContact OD1-N 3.05Å; S159-G305 CarbonylContact O-C 3.41Å; S159-G305 WeakPolarHBondContact O-CA 3.39Å; G305-S307 VanDerWaalsContact C-N 3.3Å; G305-S307 PolarHBondContact O-N 3.29Å; G305-T308 PolarHBondContact O-N 2.98Å; G305-T308 VanDerWaalsContact O-N 3.16Å; G305-T308 PolarHBondContact O-OG1 2.81Å; G305-R350 PolarHBondContact N-O 3.15Å
306G94.8Very high97Very high34 Ų3425 Ų2535%0.35115%0.151SC..G310 helixtrans-63.4-31.2-170.500000114.6S159 T308 M309S159-G306 PolarHBondContact O-N 3.39Å; G306-T308 PolarHBondContact O-N 3.16Å; G306-M309 VanDerWaalsContact O-CB 3.28Å; G306-M309 WeakPolarHBondContact O-CB 3.48Å; G306-M309 VanDerWaalsContact O-CG 3.29Å; G306-M309 WeakPolarHBondContact O-CG 3.36Å; G306-M309 PolarHBondContact O-N 2.88Å
307S97.1Very high97.1Very high6 Ų621.8 Ų21.84%0.04214%0.136CC..G310 helixtrans-79.9-1.2-179.6-62.30000113.1S159 G160 G186 G305 M309 Y310S159-S307 WeakPolarHBondContact O-CB 3.45Å; S159-S307 PolarHBondContact O-N 3.43Å; S159-S307 VanDerWaalsContact OG-CB 3.29Å; S159-S307 WeakPolarHBondContact OG-CB 3.34Å; G160-S307 PolarHBondContact O-OG 3.26Å; G186-S307 WeakPolarHBondContact CA-OG 3.26Å; G186-S307 PolarHBondContact N-OG 3.28Å; G186-S307 VanDerWaalsContact N-OG 3.12Å; G305-S307 VanDerWaalsContact C-N 3.3Å; G305-S307 PolarHBondContact O-N 3.29Å; S307-M309 VanDerWaalsContact C-N 3.34Å; S307-Y310 WeakPolarHBondContact O-CD2 3.37Å; S307-Y310 WeakPolarHBondContact O-CE2 3.32Å
308T97.7Very high97.1Very high2 Ų225 Ų251%0.01215%0.151CC..G310 helixtrans-90.82.216868.40000113.1L303 S304 G305 G306 Y310 R350L303-T308 HydrophobicContact CB-CG2 4.26Å; S304-T308 WeakPolarHBondContact O-CG2 3.47Å; S304-T308 PolarHBondContact O-OG1 2.97Å; G305-T308 PolarHBondContact O-N 2.98Å; G305-T308 VanDerWaalsContact O-N 3.16Å; G305-T308 PolarHBondContact O-OG1 2.81Å; G306-T308 PolarHBondContact O-N 3.16Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; T308-R350 PolarHBondContact O-NE 3.14Å; T308-R350 PolarHBondContact O-NH2 2.9Å; T308-R350 VanDerWaalsContact O-NH2 3.08Å; T308-R350 WeakPolarHBondContact OG1-CD 3.41Å
309M97.4Very high97.1Very high73 Ų7327.3 Ų27.336%0.3616%0.159SC..  trans-83.5-5.5-177.7-63-60.8-60.900113.8G306 S307 R350 K351G306-M309 VanDerWaalsContact O-CB 3.28Å; G306-M309 WeakPolarHBondContact O-CB 3.48Å; G306-M309 VanDerWaalsContact O-CG 3.29Å; G306-M309 WeakPolarHBondContact O-CG 3.36Å; G306-M309 PolarHBondContact O-N 2.88Å; S307-M309 VanDerWaalsContact C-N 3.34Å; M309-R350 HydrophobicContact SD-CG 3.37Å; M309-R350 WeakPolarHBondContact SD-CG 3.45Å; M309-K351 HydrophobicContact CG-CB 4.12Å; M309-K351 HydrophobicContact SD-CB 4.06Å
310Y97.8Very high97.1Very high12 Ų1225.7 Ų25.75%0.04715%0.153CC..SBendtrans-59.7130.1177.7-61.9-68.1000111I189 K217 C221 V223 P262 L265 S307 T308 G312 L313I189-Y310 HydrophobicContact CD1-CE2 3.82Å; I189-Y310 WeakPolarHBondContact CD1-OH 3.43Å; K217-Y310 VanDerWaalsContact CD-OH 3.23Å; K217-Y310 WeakPolarHBondContact CD-OH 3.34Å; K217-Y310 WeakPolarHBondContact CE-OH 3.4Å; K217-Y310 HydrophobicContact CG-CE1 4.04Å; C221-Y310 HydrophobicContact CB-CD1 4.11Å; C221-Y310 HydrophobicContact CB-CE1 3.95Å; V223-Y310 HydrophobicContact CG2-CD2 4.37Å; V223-Y310 HydrophobicContact CG2-CG 4.26Å; P262-Y310 HydrophobicContact CB-CD1 4.43Å; P262-Y310 HydrophobicContact CB-CD2 4.26Å; P262-Y310 HydrophobicContact CB-CE2 4.34Å; P262-Y310 HydrophobicContact CB-CG 4.33Å; P262-Y310 HydrophobicContact CG-CD1 3.93Å; P262-Y310 HydrophobicContact CG-CE1 3.87Å; P262-Y310 HydrophobicContact CG-CG 4.31Å; L265-Y310 HydrophobicContact CD1-CD2 4.36Å; L265-Y310 HydrophobicContact CD1-CE2 4.18Å; S307-Y310 WeakPolarHBondContact O-CD2 3.37Å; S307-Y310 WeakPolarHBondContact O-CE2 3.32Å; T308-Y310 VanDerWaalsContact C-N 3.33Å; Y310-G312 PolarHBondContact O-N 3.21Å; Y310-L313 HydrophobicContact CD2-CD1 4.18Å; Y310-L313 WeakPolarHBondContact O-CB 3.07Å; Y310-L313 PolarHBondContact O-N 3.2Å
311P98.1Very high97.1Very high86 Ų8624.3 Ų24.356%0.55815%0.147SC*.THydrogen-bonded Turntrans-55.4136.8170.8-24.734.2000110.7V223 L313V223-P311 PolarHBondContact N-O 2.95Å; P311-L313 VanDerWaalsContact C-N 3.31Å; P311-L313 PolarHBondContact O-N 2.76Å
312G97Very high97Very high30 Ų3027.8 Ų27.831%0.30916%0.162SC..THydrogen-bonded Turntrans85.4-13179.700000115.8Y310 S315 R316Y310-G312 PolarHBondContact O-N 3.21Å; G312-S315 PolarHBondContact O-N 3.47Å; G312-R316 WeakPolarHBondContact O-CB 3.46Å; G312-R316 PolarHBondContact O-N 3.07Å
313L97.9Very high96.9Very high6 Ų631.2 Ų31.23%0.03118%0.178CC..Hα-helixtrans-58.5-46.8-178.9-179.3146.5000113.8V223 L265 L303 Y310 P311 S315 R316 L317V223-L313 HydrophobicContact CB-CB 4.21Å; V223-L313 HydrophobicContact CG2-CB 3.94Å; V223-L313 HydrophobicContact CG2-CD1 4.21Å; V223-L313 HydrophobicContact CG2-CG 4.45Å; L265-L313 HydrophobicContact CD1-CD1 4.22Å; L303-L313 HydrophobicContact CD1-CD2 3.63Å; Y310-L313 HydrophobicContact CD2-CD1 4.18Å; Y310-L313 WeakPolarHBondContact O-CB 3.07Å; Y310-L313 PolarHBondContact O-N 3.2Å; P311-L313 VanDerWaalsContact C-N 3.31Å; P311-L313 PolarHBondContact O-N 2.76Å; L313-S315 PolarHBondContact O-N 2.96Å; L313-R316 PolarHBondContact O-N 2.89Å; L313-L317 HydrophobicContact CD2-CD1 3.67Å; L313-L317 HydrophobicContact CD2-CG 4.48Å; L313-L317 HydrophobicContact CG-CD1 4.37Å; L313-L317 PolarHBondContact O-N 2.99Å
314P97.7Very high96.8Very high16 Ų1632 Ų3210%0.10418%0.182CC..Hα-helixtrans-60.9-44.4177.6-21.632.6000112.3L303 L317 E318 D346L303-P314 HydrophobicContact CD1-CB 4.15Å; L303-P314 HydrophobicContact CD1-CG 3.85Å; P314-L317 PolarHBondContact O-N 3.18Å; P314-E318 PolarHBondContact O-N 3.41Å; P314-D346 HydrophobicContact CB-CB 4.11Å; P314-D346 HydrophobicContact CG-CB 3.64Å; P314-D346 WeakPolarHBondContact CG-OD2 3.17Å
315S97.6Very high96.8Very high63 Ų6334.2 Ų34.244%0.44119%0.19SC..Hα-helixtrans-65.7-40179.7-510000112.3G312 L313 E318 R319G312-S315 PolarHBondContact O-N 3.47Å; L313-S315 PolarHBondContact O-N 2.96Å; S315-E318 PolarHBondContact O-N 3.47Å; S315-R319 PolarHBondContact O-N 2.89Å
316R97.8Very high96.8Very high20 Ų2035.7 Ų35.78%0.07520%0.196CC..Hα-helixtrans-64.2-46.7175.1173.159.7-178.2-77-7.1111.3V223 G224 E263 F266 G312 L313 E318 R319 E320V223-R316 HydrophobicContact CG1-CB 3.59Å; V223-R316 HydrophobicContact CG1-CG 3.64Å; G224-R316 PolarHBondContact O-NH1 3.35Å; E263-R316 IonicContact OE1-CZ 3.72Å; E263-R316 IonicContact OE1-NH1 3.12Å; E263-R316 PolarHBondContact OE1-NH1 2.92Å; E263-R316 IonicContact OE1-NH2 3.31Å; E263-R316 PolarHBondContact OE1-NH2 3.01Å; E263-R316 IonicContact OE2-CZ 2.71Å; E263-R316 IonicContact OE2-NH1 3.63Å; E263-R316 PolarHBondContact OE2-NH1 2.92Å; E263-R316 IonicContact OE2-NH2 2.68Å; F266-R316 HydrophobicContact CD1-CG 4.23Å; F266-R316 HydrophobicContact CE1-CG 3.61Å; F266-R316 HydrophobicContact CE2-CG 4Å; F266-R316 HydrophobicContact CZ-CB 4.2Å; F266-R316 HydrophobicContact CZ-CG 3.49Å; F266-R316 VanDerWaalsContact CZ-CG 3.49Å; G312-R316 WeakPolarHBondContact O-CB 3.46Å; G312-R316 PolarHBondContact O-N 3.07Å; L313-R316 PolarHBondContact O-N 2.89Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.5Å; R316-R319 PolarHBondContact O-N 3.29Å; R316-E320 IonicContact CZ-OE2 3.12Å; R316-E320 IonicContact NE-OE2 2.79Å; R316-E320 PolarHBondContact NE-OE2 2.9Å; R316-E320 IonicContact NH2-OE2 2.84Å; R316-E320 PolarHBondContact NH2-OE2 2.96Å; R316-E320 WeakPolarHBondContact O-CB 3.5Å; R316-E320 PolarHBondContact O-N 3.16Å
317L97.6Very high96.8Very high2 Ų240 Ų401%0.0121%0.208CC..Hα-helixtrans-58.2-44.5175.2-81.5172.7000111.7F266 V278 A279 L303 L313 P314 R319 E320 L321 I344F266-L317 HydrophobicContact CE1-CD2 3.88Å; F266-L317 HydrophobicContact CE1-CG 4.19Å; F266-L317 HydrophobicContact CZ-CD2 4.29Å; F266-L317 HydrophobicContact CZ-CG 4.2Å; V278-L317 HydrophobicContact CG1-CD2 4.04Å; A279-L317 HydrophobicContact CB-CD2 3.92Å; L303-L317 HydrophobicContact CD1-CD1 4.4Å; L303-L317 HydrophobicContact CD2-CD1 3.76Å; L313-L317 HydrophobicContact CD2-CD1 3.67Å; L313-L317 HydrophobicContact CD2-CG 4.48Å; L313-L317 HydrophobicContact CG-CD1 4.37Å; L313-L317 PolarHBondContact O-N 2.99Å; P314-L317 PolarHBondContact O-N 3.18Å; L317-R319 PolarHBondContact O-N 3.19Å; L317-E320 PolarHBondContact O-N 3.45Å; L317-L321 WeakPolarHBondContact O-CB 3.22Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.29Å; L317-L321 PolarHBondContact O-N 3.42Å; L317-I344 HydrophobicContact CB-CD1 3.58Å
318E96.9Very high96.7Very high69 Ų6945.6 Ų45.632%0.32223%0.228SC..Hα-helixtrans-62.4-44.9179.6-167.4-170.4154.600111.7P314 S315 R316 K322 I342 I344P314-E318 PolarHBondContact O-N 3.41Å; S315-E318 PolarHBondContact O-N 3.47Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.5Å; E318-K322 HydrophobicContact CG-CD 4.38Å; E318-K322 WeakPolarHBondContact O-CB 3.44Å; E318-K322 WeakPolarHBondContact O-CG 3.35Å; E318-K322 PolarHBondContact O-N 3.26Å; E318-K322 WeakPolarHBondContact OE1-CE 3.41Å; E318-K322 IonicContact OE1-NZ 2.63Å; E318-K322 PolarHBondContact OE1-NZ 2.91Å; E318-I342 HydrophobicContact CG-CD1 4.37Å; E318-I342 HydrophobicContact CG-CG2 4.1Å; E318-I344 HydrophobicContact CB-CD1 3.92Å
319R96.4Very high96.4Very high55 Ų5548.3 Ų48.321%0.20824%0.244CC..Hα-helixtrans-59.5-50.5175.7174.6-172.6173165.10.2111.4Y225 S315 R316 L317 K322 Q323Y225-R319 HydrophobicContact CD2-CB 4.45Å; Y225-R319 HydrophobicContact CE2-CB 3.63Å; Y225-R319 HydrophobicContact CE2-CG 4.18Å; Y225-R319 VanDerWaalsContact CZ-CD 3.49Å; Y225-R319 PolarHBondContact O-NH1 2.99Å; S315-R319 PolarHBondContact O-N 2.89Å; R316-R319 PolarHBondContact O-N 3.29Å; L317-R319 PolarHBondContact O-N 3.19Å; R319-K322 WeakPolarHBondContact O-CB 3.38Å; R319-K322 PolarHBondContact O-N 3.09Å; R319-Q323 HydrophobicContact CG-CG 4.49Å; R319-Q323 WeakPolarHBondContact O-CG 3.47Å; R319-Q323 PolarHBondContact O-N 2.95Å
320E96.9Very high96.2Very high30 Ų3046.3 Ų46.314%0.1424%0.235CC..Hα-helixtrans-68.8-37.8-172.8-161.2163.5150.200111.4F266 A279 R316 L317 Q323 L324F266-E320 WeakPolarHBondContact CD1-OE2 3.48Å; A279-E320 HydrophobicContact CB-CB 3.81Å; A279-E320 VanDerWaalsContact CB-CD 3.49Å; A279-E320 HydrophobicContact CB-CG 3.65Å; A279-E320 WeakPolarHBondContact CB-OE1 3.43Å; R316-E320 IonicContact CZ-OE2 3.12Å; R316-E320 IonicContact NE-OE2 2.79Å; R316-E320 PolarHBondContact NE-OE2 2.9Å; R316-E320 IonicContact NH2-OE2 2.84Å; R316-E320 PolarHBondContact NH2-OE2 2.96Å; R316-E320 WeakPolarHBondContact O-CB 3.5Å; R316-E320 PolarHBondContact O-N 3.16Å; L317-E320 PolarHBondContact O-N 3.45Å; E320-Q323 PolarHBondContact O-N 3Å; E320-L324 WeakPolarHBondContact O-CB 3.46Å; E320-L324 VanDerWaalsContact O-CG 3.29Å; E320-L324 WeakPolarHBondContact O-CG 3.23Å; E320-L324 PolarHBondContact O-N 3.43Å
321L96.9Very high95.9Very high0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-63.9-40.3171.6-71.7173.9000112.5A279 L282 F283 I301 L317 Q323 L324 Y325 I342 I344A279-L321 WeakPolarHBondContact O-CD2 3.36Å; L282-L321 HydrophobicContact CB-CD2 4.37Å; L282-L321 HydrophobicContact CD2-CD1 3.77Å; L282-L321 HydrophobicContact CD2-CD2 4.35Å; L282-L321 HydrophobicContact CG-CD1 4.4Å; L282-L321 HydrophobicContact CG-CD2 4.25Å; F283-L321 HydrophobicContact CB-CD2 3.8Å; I301-L321 HydrophobicContact CD1-CD1 3.74Å; L317-L321 WeakPolarHBondContact O-CB 3.22Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.29Å; L317-L321 PolarHBondContact O-N 3.42Å; L321-Q323 VanDerWaalsContact C-N 3.35Å; L321-L324 PolarHBondContact O-N 3.32Å; L321-Y325 VanDerWaalsContact O-CB 3.25Å; L321-Y325 WeakPolarHBondContact O-CB 3.45Å; L321-Y325 PolarHBondContact O-N 3.26Å; L321-I342 HydrophobicContact CB-CD1 3.59Å; L321-I342 HydrophobicContact CD1-CD1 3.49Å; L321-I342 VanDerWaalsContact CD1-CD1 3.49Å; L321-I342 HydrophobicContact CG-CD1 4.21Å; L321-I344 HydrophobicContact CD1-CD1 4.15Å
322K95.9Very high95.6Very high72 Ų7252.9 Ų52.931%0.31327%0.268SS..Hα-helixtrans-62.9-41174.2-78.3171.9171.3170.70111.8E318 R319 L326 F340 I342E318-K322 HydrophobicContact CG-CD 4.38Å; E318-K322 WeakPolarHBondContact O-CB 3.44Å; E318-K322 WeakPolarHBondContact O-CG 3.35Å; E318-K322 PolarHBondContact O-N 3.26Å; E318-K322 WeakPolarHBondContact OE1-CE 3.41Å; E318-K322 IonicContact OE1-NZ 2.63Å; E318-K322 PolarHBondContact OE1-NZ 2.91Å; R319-K322 WeakPolarHBondContact O-CB 3.38Å; R319-K322 PolarHBondContact O-N 3.09Å; K322-L326 VanDerWaalsContact O-CB 3.29Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 PolarHBondContact O-N 2.98Å; K322-F340 HydrophobicContact CG-CD1 4.25Å; K322-F340 HydrophobicContact CG-CE1 4.22Å; K322-I342 HydrophobicContact CD-CG2 4.44Å; K322-I342 HydrophobicContact CG-CG2 4.2Å
323Q95.4Very high95.4Very high73 Ų7353.8 Ų53.834%0.34127%0.266SS..Hα-helixtrans-63.7-50.5176.1-72.7174.1-39.700111.2R319 E320 L321 Y325 L326 E327R319-Q323 HydrophobicContact CG-CG 4.49Å; R319-Q323 WeakPolarHBondContact O-CG 3.47Å; R319-Q323 PolarHBondContact O-N 2.95Å; E320-Q323 PolarHBondContact O-N 3Å; L321-Q323 VanDerWaalsContact C-N 3.35Å; Q323-Y325 VanDerWaalsContact C-N 3.31Å; Q323-Y325 PolarHBondContact O-N 3.5Å; Q323-L326 PolarHBondContact O-N 3.32Å; Q323-E327 WeakPolarHBondContact O-CB 3.38Å; Q323-E327 WeakPolarHBondContact O-CG 3.34Å; Q323-E327 PolarHBondContact O-N 2.88Å
324L96.1Very high95Very high15 Ų1557.9 Ų57.98%0.07929%0.291CS..Hα-helixtrans-59.3-41.6177.3-70.7170000112.2E280 F283 E320 L321 R328E280-L324 HydrophobicContact CB-CD1 4.12Å; F283-L324 HydrophobicContact CB-CD1 3.82Å; F283-L324 HydrophobicContact CD1-CB 4.31Å; F283-L324 HydrophobicContact CD2-CB 3.86Å; F283-L324 HydrophobicContact CE2-CB 4.07Å; F283-L324 HydrophobicContact CG-CB 3.98Å; F283-L324 HydrophobicContact CG-CD1 4.11Å; F283-L324 HydrophobicContact CZ-CB 4.39Å; E320-L324 WeakPolarHBondContact O-CB 3.46Å; E320-L324 VanDerWaalsContact O-CG 3.29Å; E320-L324 WeakPolarHBondContact O-CG 3.23Å; E320-L324 PolarHBondContact O-N 3.43Å; L321-L324 PolarHBondContact O-N 3.32Å; L324-R328 VanDerWaalsContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CB 3.32Å; L324-R328 PolarHBondContact O-N 3.23Å
325Y94.9Very high94.6Very high49 Ų4963.3 Ų63.319%0.19232%0.32CS..Iπ-helixtrans-66.2-43.2176.9-166.3-91.2000111.9F283 Y298 L321 Q323 V329 L330 L337 F340F283-Y325 HydrophobicContact CE2-CD2 4.27Å; Y298-Y325 HydrophobicContact CE2-CD2 4.41Å; Y298-Y325 HydrophobicContact CE2-CE2 4.3Å; L321-Y325 VanDerWaalsContact O-CB 3.25Å; L321-Y325 WeakPolarHBondContact O-CB 3.45Å; L321-Y325 PolarHBondContact O-N 3.26Å; Q323-Y325 VanDerWaalsContact C-N 3.31Å; Q323-Y325 PolarHBondContact O-N 3.5Å; Y325-V329 HydrophobicContact CD1-CB 4.41Å; Y325-V329 HydrophobicContact CD2-CB 4.04Å; Y325-V329 HydrophobicContact CD2-CG1 4.42Å; Y325-V329 HydrophobicContact CD2-CG2 3.75Å; Y325-V329 HydrophobicContact CE1-CB 4.38Å; Y325-V329 HydrophobicContact CE1-CG1 4.33Å; Y325-V329 HydrophobicContact CE2-CB 4Å; Y325-V329 HydrophobicContact CE2-CG1 3.87Å; Y325-V329 HydrophobicContact CE2-CG2 3.94Å; Y325-V329 HydrophobicContact CG-CB 4.24Å; Y325-V329 HydrophobicContact CG-CG2 4.27Å; Y325-V329 WeakPolarHBondContact O-CA 3.17Å; Y325-V329 VanDerWaalsContact O-CB 3.26Å; Y325-V329 WeakPolarHBondContact O-CB 3.43Å; Y325-V329 PolarHBondContact O-N 3.19Å; Y325-L330 HydrophobicContact CD1-CD1 3.77Å; Y325-L330 HydrophobicContact CD1-CD2 4.45Å; Y325-L330 HydrophobicContact CD1-CG 3.75Å; Y325-L330 HydrophobicContact CE1-CD1 3.76Å; Y325-L330 HydrophobicContact CE1-CD2 3.78Å; Y325-L330 HydrophobicContact CE1-CG 3.59Å; Y325-L330 PolarHBondContact O-N 3.08Å; Y325-L337 HydrophobicContact CD1-CD1 4.39Å; Y325-F340 HydrophobicContact CD1-CB 4.09Å; Y325-F340 HydrophobicContact CD1-CD1 4Å; Y325-F340 AromaticContact CD1-CD2 3.87Å; Y325-F340 HydrophobicContact CD1-CD2 3.87Å; Y325-F340 HydrophobicContact CD1-CE1 4.4Å; Y325-F340 HydrophobicContact CD1-CE2 4.3Å; Y325-F340 AromaticContact CD1-CG 3.71Å; Y325-F340 HydrophobicContact CD1-CG 3.71Å; Y325-F340 AromaticContact CD2-CD2 3.95Å; Y325-F340 HydrophobicContact CD2-CD2 3.95Å; Y325-F340 HydrophobicContact CD2-CE1 4.44Å; Y325-F340 AromaticContact CD2-CE2 3.62Å; Y325-F340 HydrophobicContact CD2-CE2 3.62Å; Y325-F340 AromaticContact CD2-CZ 3.88Å; Y325-F340 HydrophobicContact CD2-CZ 3.88Å; Y325-F340 HydrophobicContact CE1-CB 3.91Å; Y325-F340 AromaticContact CE1-CD2 3.69Å; Y325-F340 HydrophobicContact CE1-CD2 3.69Å; Y325-F340 HydrophobicContact CE1-CE2 4.35Å; Y325-F340 AromaticContact CE1-CG 3.8Å; Y325-F340 HydrophobicContact CE1-CG 3.8Å; Y325-F340 AromaticContact CE2-CD2 3.78Å; Y325-F340 HydrophobicContact CE2-CD2 3.78Å; Y325-F340 AromaticContact CE2-CE2 3.7Å; Y325-F340 HydrophobicContact CE2-CE2 3.7Å; Y325-F340 HydrophobicContact CE2-CZ 4.42Å; Y325-F340 HydrophobicContact CG-CD1 4.11Å; Y325-F340 HydrophobicContact CG-CD2 4Å; Y325-F340 HydrophobicContact CG-CE1 4.05Å; Y325-F340 AromaticContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CG 4.09Å; Y325-F340 AromaticContact CG-CZ 3.96Å; Y325-F340 HydrophobicContact CG-CZ 3.96Å; Y325-F340 AromaticContact CZ-CD2 3.65Å
326L95.3Very high94.2Very high36 Ų3665.5 Ų65.519%0.18832%0.321CS..Iπ-helixtrans-60.4-48.7176.6179.262.1000111.6K322 Q323 L330 K331 G332 D333 V334 L337K322-L326 VanDerWaalsContact O-CB 3.29Å; K322-L326 WeakPolarHBondContact O-CB 3.32Å; K322-L326 PolarHBondContact O-N 2.98Å; Q323-L326 PolarHBondContact O-N 3.32Å; L326-L330 HydrophobicContact CD1-CB 4.32Å; L326-L330 HydrophobicContact CD1-CD1 4.4Å; L326-L330 CarbonylContact O-C 3.58Å; L326-K331 PolarHBondContact O-N 3.42Å; L326-G332 PolarHBondContact O-N 3.29Å; L326-D333 WeakPolarHBondContact CD1-O 3.36Å; L326-V334 HydrophobicContact CD1-CG1 4.12Å; L326-V334 HydrophobicContact CD2-CG1 4.18Å; L326-L337 HydrophobicContact CB-CD1 4.2Å; L326-L337 HydrophobicContact CD2-CD2 4.49Å
327E94.6Very high93.8Very high126 Ų12666.6 Ų66.659%0.58933%0.328SS*.Iπ-helixtrans-73.1-49.1-174.9-70.1172.8-169.800112.1Q323Q323-E327 WeakPolarHBondContact O-CB 3.38Å; Q323-E327 WeakPolarHBondContact O-CG 3.34Å; Q323-E327 PolarHBondContact O-N 2.88Å
328R93.9Very high93.3Very high123 Ų12371.5 Ų71.546%0.46436%0.362SS..Iπ-helixtrans-93.2-28.6-169.1-58.4-175.1-179.8-175.73.1113.9E280 F283 L324E280-R328 IonicContact OE1-CZ 2.64Å; E280-R328 IonicContact OE1-NH1 3.8Å; E280-R328 PolarHBondContact OE1-NH1 3.14Å; E280-R328 IonicContact OE1-NH2 2.91Å; E280-R328 PolarHBondContact OE1-NH2 3.09Å; F283-R328 HydrophobicContact CE1-CB 4.24Å; F283-R328 HydrophobicContact CZ-CB 4.01Å; L324-R328 VanDerWaalsContact O-CB 3.31Å; L324-R328 WeakPolarHBondContact O-CB 3.32Å; L324-R328 PolarHBondContact O-N 3.23Å
329V92.4Very high92.9Very high59 Ų5976.2 Ų76.236%0.35838%0.382SS..Iπ-helixtrans-102.1-51.6-178.8-172.50000111.3F283 Y325 K331F283-V329 HydrophobicContact CE2-CG2 3.99Å; F283-V329 HydrophobicContact CZ-CG2 3.75Å; Y325-V329 HydrophobicContact CD1-CB 4.41Å; Y325-V329 HydrophobicContact CD2-CB 4.04Å; Y325-V329 HydrophobicContact CD2-CG1 4.42Å; Y325-V329 HydrophobicContact CD2-CG2 3.75Å; Y325-V329 HydrophobicContact CE1-CB 4.38Å; Y325-V329 HydrophobicContact CE1-CG1 4.33Å; Y325-V329 HydrophobicContact CE2-CB 4Å; Y325-V329 HydrophobicContact CE2-CG1 3.87Å; Y325-V329 HydrophobicContact CE2-CG2 3.94Å; Y325-V329 HydrophobicContact CG-CB 4.24Å; Y325-V329 HydrophobicContact CG-CG2 4.27Å; Y325-V329 WeakPolarHBondContact O-CA 3.17Å; Y325-V329 VanDerWaalsContact O-CB 3.26Å; Y325-V329 WeakPolarHBondContact O-CB 3.43Å; Y325-V329 PolarHBondContact O-N 3.19Å; V329-K331 VanDerWaalsContact C-N 3.35Å
330L92.6Very high92.7Very high30 Ų3074.8 Ų74.816%0.15738%0.377CS..SBendtrans-85.2-8-177.4-59-179.6000113.6Y325 L326 G332 D333 K336 L337Y325-L330 HydrophobicContact CD1-CD1 3.77Å; Y325-L330 HydrophobicContact CD1-CD2 4.45Å; Y325-L330 HydrophobicContact CD1-CG 3.75Å; Y325-L330 HydrophobicContact CE1-CD1 3.76Å; Y325-L330 HydrophobicContact CE1-CD2 3.78Å; Y325-L330 HydrophobicContact CE1-CG 3.59Å; Y325-L330 PolarHBondContact O-N 3.08Å; L326-L330 HydrophobicContact CD1-CB 4.32Å; L326-L330 HydrophobicContact CD1-CD1 4.4Å; L326-L330 CarbonylContact O-C 3.58Å; L330-G332 PolarHBondContact O-N 3.46Å; L330-D333 HydrophobicContact CB-CB 4.42Å; L330-D333 WeakPolarHBondContact O-CB 3.13Å; L330-D333 PolarHBondContact O-N 3.13Å; L330-K336 HydrophobicContact CD1-CB 4.08Å; L330-K336 HydrophobicContact CD2-CB 3.89Å; L330-K336 HydrophobicContact CD2-CD 4.41Å; L330-L337 HydrophobicContact CD1-CB 4.06Å; L330-L337 HydrophobicContact CD1-CD1 3.97Å
331K92.6Very high92.5Very high188 Ų18880.6 Ų80.682%0.81740%0.402SS*.THydrogen-bonded Turntrans53.638.4179.6-56.2-176.9178.5-177.40113L326 V329L326-K331 PolarHBondContact O-N 3.42Å; V329-K331 VanDerWaalsContact C-N 3.35Å
332G91.7Very high92.4Very high48 Ų4881.8 Ų81.850%0.49541%0.408SS..THydrogen-bonded Turntrans891.3178.300000115.9L326 L330 V334L326-G332 PolarHBondContact O-N 3.29Å; L330-G332 PolarHBondContact O-N 3.46Å; G332-V334 PolarHBondContact O-N 3.08Å; G332-V334 VanDerWaalsContact O-N 3.12Å
333D91.5Very high92.5Very high49 Ų4985.1 Ų85.126%0.26242%0.419SS..  trans-75.398.3177.1-173.8-21.3000111.5L326 L330 D335 K336L326-D333 WeakPolarHBondContact CD1-O 3.36Å; L330-D333 HydrophobicContact CB-CB 4.42Å; L330-D333 WeakPolarHBondContact O-CB 3.13Å; L330-D333 PolarHBondContact O-N 3.13Å; D333-D335 VanDerWaalsContact C-N 3.34Å; D333-D335 PolarHBondContact OD1-N 3.08Å; D333-D335 VanDerWaalsContact OD1-N 3.16Å; D333-K336 PolarHBondContact OD1-N 3.43Å; D333-K336 VanDerWaalsContact OD2-CD 3.29Å; D333-K336 WeakPolarHBondContact OD2-CD 3.41Å; D333-K336 VanDerWaalsContact OD2-CE 3.23Å; D333-K336 WeakPolarHBondContact OD2-CE 3.33Å; D333-K336 IonicContact OD2-NZ 2.76Å; D333-K336 PolarHBondContact OD2-NZ 2.92Å
334V91.1Very high92.6Very high93 Ų9382.5 Ų82.556%0.56441%0.407SS*.Hα-helixtrans-70.5-26.9-178.2-65.60000113.4L326 G332 K336 L337L326-V334 HydrophobicContact CD1-CG1 4.12Å; L326-V334 HydrophobicContact CD2-CG1 4.18Å; G332-V334 PolarHBondContact O-N 3.08Å; G332-V334 VanDerWaalsContact O-N 3.12Å; V334-K336 VanDerWaalsContact C-N 3.31Å; V334-K336 PolarHBondContact O-N 3.25Å; V334-L337 VanDerWaalsContact O-CB 3.24Å; V334-L337 WeakPolarHBondContact O-CB 3.46Å; V334-L337 PolarHBondContact O-N 3.46Å; V334-L337 VanDerWaalsContact O-N 3.14Å
335D88.9Confident92.6Very high130 Ų13083.1 Ų83.170%0.69541%0.409SS*.Hα-helixtrans-68.5-37.1-177.1-67.1-27.7000110.5D333 L337 S338D333-D335 VanDerWaalsContact C-N 3.34Å; D333-D335 PolarHBondContact OD1-N 3.08Å; D333-D335 VanDerWaalsContact OD1-N 3.16Å; D335-L337 VanDerWaalsContact C-N 3.29Å; D335-L337 PolarHBondContact O-N 3.08Å; D335-S338 PolarHBondContact O-OG 2.8Å
336K88.7Confident92.6Very high108 Ų10884.2 Ų84.247%0.4742%0.419SS..Hα-helixtrans-73.6-18175.5-69.3-178.8-173.5128.30113.7L330 D333 V334 S338 K339L330-K336 HydrophobicContact CD1-CB 4.08Å; L330-K336 HydrophobicContact CD2-CB 3.89Å; L330-K336 HydrophobicContact CD2-CD 4.41Å; D333-K336 PolarHBondContact OD1-N 3.43Å; D333-K336 VanDerWaalsContact OD2-CD 3.29Å; D333-K336 WeakPolarHBondContact OD2-CD 3.41Å; D333-K336 VanDerWaalsContact OD2-CE 3.23Å; D333-K336 WeakPolarHBondContact OD2-CE 3.33Å; D333-K336 IonicContact OD2-NZ 2.76Å; D333-K336 PolarHBondContact OD2-NZ 2.92Å; V334-K336 VanDerWaalsContact C-N 3.31Å; V334-K336 PolarHBondContact O-N 3.25Å; K336-S338 PolarHBondContact O-N 2.98Å; K336-K339 WeakPolarHBondContact O-CB 3.41Å; K336-K339 PolarHBondContact O-N 3.1Å
337L89.6Confident92.5Very high44 Ų4484 Ų8423%0.2342%0.419CS..Hα-helixtrans-63-30.5177.9-167.768000111.5Y325 L326 L330 V334 D335 K339 F340Y325-L337 HydrophobicContact CD1-CD1 4.39Å; L326-L337 HydrophobicContact CB-CD1 4.2Å; L326-L337 HydrophobicContact CD2-CD2 4.49Å; L330-L337 HydrophobicContact CD1-CB 4.06Å; L330-L337 HydrophobicContact CD1-CD1 3.97Å; V334-L337 VanDerWaalsContact O-CB 3.24Å; V334-L337 WeakPolarHBondContact O-CB 3.46Å; V334-L337 PolarHBondContact O-N 3.46Å; V334-L337 VanDerWaalsContact O-N 3.14Å; D335-L337 VanDerWaalsContact C-N 3.29Å; D335-L337 PolarHBondContact O-N 3.08Å; L337-K339 PolarHBondContact O-N 2.84Å; L337-K339 VanDerWaalsContact O-N 3.17Å; L337-F340 HydrophobicContact CD1-CB 4.43Å; L337-F340 HydrophobicContact CD1-CD1 4.34Å; L337-F340 WeakPolarHBondContact O-CB 3.38Å; L337-F340 PolarHBondContact O-N 3.41Å
338S87.1Confident92.4Very high104 Ų10483.5 Ų83.573%0.72743%0.427SS*.THydrogen-bonded Turntrans-58.6-26.2174.166.70000113.8D335 K336D335-S338 PolarHBondContact O-OG 2.8Å; K336-S338 PolarHBondContact O-N 2.98Å
339K88.2Confident92.3Very high169 Ų16983.4 Ų83.474%0.73543%0.427SS*.THydrogen-bonded Turntrans-84.9-15178.1-60.6-179179.9178.10112.6K336 L337 K341K336-K339 WeakPolarHBondContact O-CB 3.41Å; K336-K339 PolarHBondContact O-N 3.1Å; L337-K339 PolarHBondContact O-N 2.84Å; L337-K339 VanDerWaalsContact O-N 3.17Å; K339-K341 PolarHBondContact O-N 3.06Å
340F91.6Very high92.4Very high24 Ų2481.6 Ų81.611%0.10541%0.414CS..  trans-75.7105.5179.4178.6-124.7000109.9Y298 K322 Y325 L337 I342Y298-F340 AromaticContact CD1-CE2 3.87Å; Y298-F340 HydrophobicContact CD1-CE2 3.87Å; Y298-F340 AromaticContact CD1-CZ 3.6Å; Y298-F340 HydrophobicContact CD1-CZ 3.6Å; Y298-F340 AromaticContact CD2-CE2 3.74Å; Y298-F340 HydrophobicContact CD2-CE2 3.74Å; Y298-F340 HydrophobicContact CD2-CZ 4.32Å; Y298-F340 HydrophobicContact CE1-CE2 4.18Å; Y298-F340 AromaticContact CE1-CZ 3.81Å; Y298-F340 HydrophobicContact CE1-CZ 3.81Å; Y298-F340 HydrophobicContact CE2-CE2 4.06Å; Y298-F340 HydrophobicContact CE2-CZ 4.5Å; Y298-F340 AromaticContact CG-CE2 3.64Å; Y298-F340 HydrophobicContact CG-CE2 3.64Å; Y298-F340 AromaticContact CG-CZ 3.88Å; Y298-F340 HydrophobicContact CG-CZ 3.88Å; K322-F340 HydrophobicContact CG-CD1 4.25Å; K322-F340 HydrophobicContact CG-CE1 4.22Å; Y325-F340 HydrophobicContact CD1-CB 4.09Å; Y325-F340 HydrophobicContact CD1-CD1 4Å; Y325-F340 AromaticContact CD1-CD2 3.87Å; Y325-F340 HydrophobicContact CD1-CD2 3.87Å; Y325-F340 HydrophobicContact CD1-CE1 4.4Å; Y325-F340 HydrophobicContact CD1-CE2 4.3Å; Y325-F340 AromaticContact CD1-CG 3.71Å; Y325-F340 HydrophobicContact CD1-CG 3.71Å; Y325-F340 AromaticContact CD2-CD2 3.95Å; Y325-F340 HydrophobicContact CD2-CD2 3.95Å; Y325-F340 HydrophobicContact CD2-CE1 4.44Å; Y325-F340 AromaticContact CD2-CE2 3.62Å; Y325-F340 HydrophobicContact CD2-CE2 3.62Å; Y325-F340 AromaticContact CD2-CZ 3.88Å; Y325-F340 HydrophobicContact CD2-CZ 3.88Å; Y325-F340 HydrophobicContact CE1-CB 3.91Å; Y325-F340 AromaticContact CE1-CD2 3.69Å; Y325-F340 HydrophobicContact CE1-CD2 3.69Å; Y325-F340 HydrophobicContact CE1-CE2 4.35Å; Y325-F340 AromaticContact CE1-CG 3.8Å; Y325-F340 HydrophobicContact CE1-CG 3.8Å; Y325-F340 AromaticContact CE2-CD2 3.78Å; Y325-F340 HydrophobicContact CE2-CD2 3.78Å; Y325-F340 AromaticContact CE2-CE2 3.7Å; Y325-F340 HydrophobicContact CE2-CE2 3.7Å; Y325-F340 HydrophobicContact CE2-CZ 4.42Å; Y325-F340 HydrophobicContact CG-CD1 4.11Å; Y325-F340 HydrophobicContact CG-CD2 4Å; Y325-F340 HydrophobicContact CG-CE1 4.05Å; Y325-F340 AromaticContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CE2 3.94Å; Y325-F340 HydrophobicContact CG-CG 4.09Å; Y325-F340 AromaticContact CG-CZ 3.96Å; Y325-F340 HydrophobicContact CG-CZ 3.96Å; Y325-F340 AromaticContact CZ-CD2 3.65Å; L337-F340 HydrophobicContact CD1-CB 4.43Å; L337-F340 HydrophobicContact CD1-CD1 4.34Å; L337-F340 WeakPolarHBondContact O-CB 3.38Å; L337-F340 PolarHBondContact O-N 3.41Å; F340-I342 HydrophobicContact CD1-CB 4.42Å; F340-I342 HydrophobicContact CD1-CG2 4.3Å; F340-I342 HydrophobicContact CE1-CB 3.83Å; F340-I342 HydrophobicContact CE1-CD1 4.28Å; F340-I342 HydrophobicContact CE1-CG2 4Å; F340-I342 HydrophobicContact CZ-CB 4.01Å; F340-I342 HydrophobicContact CZ-CD1 4.41Å
341K93.5Very high92.5Very high153 Ų15384.6 Ų84.667%0.66543%0.425SS*.  trans-89.4112.9175.3-63.1-168.5-179.1-173.70109.1K299 K339K299-K341 HydrophobicContact CG-CB 4.39Å; K339-K341 PolarHBondContact O-N 3.06Å
342I95.7Very high92.5Very high24 Ų2477.5 Ų77.512%0.12340%0.395CS..  trans-119.7137.5172.2-179.8170.1000108.6Y298 I301 E318 L321 K322 F340 I344Y298-I342 CarbonylContact O-C 3.5Å; Y298-I342 WeakPolarHBondContact O-CA 3.43Å; I301-I342 HydrophobicContact CD1-CD1 4.28Å; I301-I342 HydrophobicContact CD1-CG1 4.25Å; E318-I342 HydrophobicContact CG-CD1 4.37Å; E318-I342 HydrophobicContact CG-CG2 4.1Å; L321-I342 HydrophobicContact CB-CD1 3.59Å; L321-I342 HydrophobicContact CD1-CD1 3.49Å; L321-I342 VanDerWaalsContact CD1-CD1 3.49Å; L321-I342 HydrophobicContact CG-CD1 4.21Å; K322-I342 HydrophobicContact CD-CG2 4.44Å; K322-I342 HydrophobicContact CG-CG2 4.2Å; F340-I342 HydrophobicContact CD1-CB 4.42Å; F340-I342 HydrophobicContact CD1-CG2 4.3Å; F340-I342 HydrophobicContact CE1-CB 3.83Å; F340-I342 HydrophobicContact CE1-CD1 4.28Å; F340-I342 HydrophobicContact CE1-CG2 4Å; F340-I342 HydrophobicContact CZ-CB 4.01Å; F340-I342 HydrophobicContact CZ-CD1 4.41Å; I342-I344 HydrophobicContact CD1-CD1 4.41Å; I342-I344 HydrophobicContact CD1-CG1 4.39Å; I342-I344 HydrophobicContact CG1-CG1 4.32Å
343R96.8Very high92.6Very high142 Ų14275.5 Ų75.554%0.53637%0.373SS..  trans-140.3120.4172.3175.2-174.4-168.8-166.4-2.3108.8Y298 K299 I301 E345Y298-R343 PolarHBondContact O-N 2.88Å; K299-R343 VanDerWaalsContact O-CB 3.31Å; K299-R343 WeakPolarHBondContact O-CB 3.5Å; I301-R343 PolarHBondContact N-O 2.78Å; R343-E345 HydrophobicContact CG-CG 4.08Å; R343-E345 IonicContact CZ-OE1 2.78Å; R343-E345 VanDerWaalsContact CZ-OE1 3.31Å; R343-E345 IonicContact NE-OE1 3.34Å; R343-E345 PolarHBondContact NE-OE1 3.38Å; R343-E345 IonicContact NH1-OE1 3.76Å; R343-E345 PolarHBondContact NH1-OE1 3.04Å; R343-E345 IonicContact NH2-OE1 2.71Å
344I97.3Very high92.7Very high19 Ų1973.5 Ų73.510%0.09736%0.362CS..EExtended strand (participates in β ladder)trans-106117.7172.7-56-177000106.5I301 L303 L317 E318 L321 I342I301-I344 HydrophobicContact CB-CG1 4.2Å; I301-I344 HydrophobicContact CD1-CG1 4.17Å; I301-I344 HydrophobicContact CG2-CG1 4.28Å; I301-I344 HydrophobicContact CG2-CG2 4.3Å; I301-I344 CarbonylContact O-C 3.57Å; I301-I344 WeakPolarHBondContact O-CA 3.31Å; L303-I344 HydrophobicContact CD1-CG2 3.84Å; L303-I344 HydrophobicContact CD2-CG2 3.98Å; L303-I344 HydrophobicContact CG-CG2 3.74Å; L317-I344 HydrophobicContact CB-CD1 3.58Å; E318-I344 HydrophobicContact CB-CD1 3.92Å; L321-I344 HydrophobicContact CD1-CD1 4.15Å; I342-I344 HydrophobicContact CD1-CD1 4.41Å; I342-I344 HydrophobicContact CD1-CG1 4.39Å; I342-I344 HydrophobicContact CG1-CG1 4.32Å
345E95.9Very high93Very high27 Ų2769.1 Ų69.113%0.12634%0.336CS..EExtended strand (participates in β ladder)trans-94.8119178.5-57-169-166.900109.2Q149 H300 I301 V302 L303 R343 P347Q149-E345 PolarHBondContact NE2-OE2 3.33Å; Q149-E345 VanDerWaalsContact NE2-OE2 3.14Å; Q149-E345 PolarHBondContact OE1-OE2 3.35Å; H300-E345 IonicContact ND1-OE1 3.38Å; I301-E345 PolarHBondContact O-N 3.32Å; V302-E345 HydrophobicContact CG2-CB 4.45Å; L303-E345 PolarHBondContact N-O 3.29Å; R343-E345 HydrophobicContact CG-CG 4.08Å; R343-E345 IonicContact CZ-OE1 2.78Å; R343-E345 VanDerWaalsContact CZ-OE1 3.31Å; R343-E345 IonicContact NE-OE1 3.34Å; R343-E345 PolarHBondContact NE-OE1 3.38Å; R343-E345 IonicContact NH1-OE1 3.76Å; R343-E345 PolarHBondContact NH1-OE1 3.04Å; R343-E345 IonicContact NH2-OE1 2.71Å; E345-P347 VanDerWaalsContact C-CD 3.43Å; E345-P347 WeakPolarHBondContact O-CD 3.29Å
346D95.1Very high93.3Very high72 Ų7264.3 Ų64.339%0.38531%0.31SS..  trans-120.966.6-17868.6-47000112L303 P314 R350L303-D346 HydrophobicContact CD1-CB 3.94Å; P314-D346 HydrophobicContact CB-CB 4.11Å; P314-D346 HydrophobicContact CG-CB 3.64Å; P314-D346 WeakPolarHBondContact CG-OD2 3.17Å; D346-R350 PolarHBondContact O-NH1 2.97Å; D346-R350 IonicContact OD2-NH1 3.37Å
347P94.6Very high93.6Very high31 Ų3159.2 Ų59.220%0.20129%0.288CS..  trans-50.7144.2-178.4-28.636.7000112.7Q149 E345 R349 R350 M353Q149-P347 HydrophobicContact CG-CG 4.44Å; E345-P347 VanDerWaalsContact C-CD 3.43Å; E345-P347 WeakPolarHBondContact O-CD 3.29Å; P347-R349 PolarHBondContact O-N 2.78Å; P347-R349 VanDerWaalsContact O-N 3.14Å; P347-R350 HydrophobicContact CB-CB 4.47Å; P347-R350 WeakPolarHBondContact O-CB 3.38Å; P347-R350 WeakPolarHBondContact O-CD 3.44Å; P347-R350 WeakPolarHBondContact O-CG 3.34Å; P347-R350 PolarHBondContact O-N 3.37Å; P347-R350 PolarHBondContact O-NH1 3.39Å; P347-R350 VanDerWaalsContact O-NH1 3.1Å; P347-M353 HydrophobicContact CB-CE 4.08Å; P347-M353 HydrophobicContact CG-CE 3.57Å
348P92.7Very high93.8Very high116 Ų11657.1 Ų57.175%0.75328%0.277SS*.THydrogen-bonded Turntrans-62.4-26.2179.224.2-33.7000112.2
349R91.1Very high94.2Very high121 Ų12152.2 Ų52.246%0.45724%0.242SC..THydrogen-bonded Turntrans-92.614.3178.8-60.1-174.5-176.3176.22.7113.7P347 K351 H352P347-R349 PolarHBondContact O-N 2.78Å; P347-R349 VanDerWaalsContact O-N 3.14Å; R349-K351 PolarHBondContact O-N 3.46Å; R349-K351 VanDerWaalsContact O-N 3.1Å; R349-H352 PolarHBondContact O-N 3.29Å
350R94.8Very high94.5Very high22 Ų2247.1 Ų47.18%0.08323%0.225CC..G310 helixtrans-60.9-22.3-173.265.5-172.6175.8-92.65.4115.5L303 G305 T308 M309 D346 P347 H352 M353L303-R350 VanDerWaalsContact O-CB 3.29Å; L303-R350 WeakPolarHBondContact O-CB 3.47Å; G305-R350 PolarHBondContact N-O 3.15Å; T308-R350 PolarHBondContact O-NE 3.14Å; T308-R350 PolarHBondContact O-NH2 2.9Å; T308-R350 VanDerWaalsContact O-NH2 3.08Å; T308-R350 WeakPolarHBondContact OG1-CD 3.41Å; M309-R350 HydrophobicContact SD-CG 3.37Å; M309-R350 WeakPolarHBondContact SD-CG 3.45Å; D346-R350 PolarHBondContact O-NH1 2.97Å; D346-R350 IonicContact OD2-NH1 3.37Å; P347-R350 HydrophobicContact CB-CB 4.47Å; P347-R350 WeakPolarHBondContact O-CB 3.38Å; P347-R350 WeakPolarHBondContact O-CD 3.44Å; P347-R350 WeakPolarHBondContact O-CG 3.34Å; P347-R350 PolarHBondContact O-N 3.37Å; P347-R350 PolarHBondContact O-NH1 3.39Å; P347-R350 VanDerWaalsContact O-NH1 3.1Å; R350-H352 PolarHBondContact O-N 2.95Å; R350-H352 VanDerWaalsContact O-N 3.14Å; R350-M353 HydrophobicContact CB-CE 3.63Å; R350-M353 PolarHBondContact O-N 2.95Å
351K93.9Very high94.6Very high92 Ų9246.8 Ų46.840%0.423%0.225SC..G310 helixtrans-54-32.8175.5-171.4176.5179.51740113.4M309 R349M309-K351 HydrophobicContact CG-CB 4.12Å; M309-K351 HydrophobicContact SD-CB 4.06Å; R349-K351 PolarHBondContact O-N 3.46Å; R349-K351 VanDerWaalsContact O-N 3.1Å
352H92.8Very high94.6Very high39 Ų3939.5 Ų39.518%0.18119%0.193CC..G310 helixtrans-127.925.7-176.1-54.6-57.7000112.4P28 R349 R350 V354 F355 L356P28-H352 HydrophobicContact CG-CB 4.08Å; R349-H352 PolarHBondContact O-N 3.29Å; R350-H352 PolarHBondContact O-N 2.95Å; R350-H352 VanDerWaalsContact O-N 3.14Å; H352-V354 VanDerWaalsContact C-N 3.27Å; H352-V354 PolarHBondContact O-N 3.33Å; H352-F355 PolarHBondContact O-N 2.94Å; H352-F355 VanDerWaalsContact O-N 3.11Å; H352-L356 PolarHBondContact O-N 3.22Å
353M93.4Very high94.6Very high6 Ų641.1 Ų41.13%0.0320%0.202CC..Hα-helixtrans-61.8-36.2-173.2-162.3-170.2-59.200112.8T145 A148 Q149 V302 L303 P347 R350 F355 L356 G357T145-M353 HydrophobicContact CG2-CB 4.12Å; T145-M353 HydrophobicContact CG2-CG 4.25Å; T145-M353 HydrophobicContact CG2-SD 4.18Å; A148-M353 HydrophobicContact CB-CG 3.85Å; Q149-M353 HydrophobicContact CG-SD 4.32Å; V302-M353 HydrophobicContact CG1-CE 3.94Å; V302-M353 HydrophobicContact CG1-SD 3.86Å; L303-M353 WeakPolarHBondContact O-CE 3.29Å; P347-M353 HydrophobicContact CB-CE 4.08Å; P347-M353 HydrophobicContact CG-CE 3.57Å; R350-M353 HydrophobicContact CB-CE 3.63Å; R350-M353 PolarHBondContact O-N 2.95Å; M353-F355 PolarHBondContact O-N 2.91Å; M353-L356 PolarHBondContact O-N 3.19Å; M353-G357 PolarHBondContact O-N 3.38Å
354V95.2Very high94.3Very high7 Ų739.8 Ų39.84%0.04220%0.204CC..Hα-helixtrans-54.9-52173176.10000111D12 T110 Q141 L144 T145 H352 L356 G357 G358D12-V354 HydrophobicContact CB-CG1 4.45Å; T110-V354 HydrophobicContact CG2-CG1 3.74Å; Q141-V354 HydrophobicContact CB-CG1 4.04Å; Q141-V354 HydrophobicContact CB-CG2 4.03Å; Q141-V354 HydrophobicContact CG-CG1 3.72Å; Q141-V354 HydrophobicContact CG-CG2 4.34Å; L144-V354 HydrophobicContact CD1-CG1 4.3Å; T145-V354 HydrophobicContact CG2-CB 4.36Å; T145-V354 HydrophobicContact CG2-CG2 3.53Å; H352-V354 VanDerWaalsContact C-N 3.27Å; H352-V354 PolarHBondContact O-N 3.33Å; V354-L356 PolarHBondContact O-N 3.43Å; V354-G357 PolarHBondContact O-N 3.5Å; V354-G358 PolarHBondContact O-N 3.06Å
355F96.3Very high94.1Very high1 Ų141.6 Ų41.60%0.00421%0.213CC..Hα-helixtrans-62-44.4178.3174.3-87.8000111V10 K19 P28 H352 M353 G357 G358 A359V10-F355 HydrophobicContact CB-CD2 4.33Å; V10-F355 HydrophobicContact CB-CE2 3.84Å; V10-F355 HydrophobicContact CB-CZ 4.46Å; V10-F355 HydrophobicContact CG1-CD2 3.86Å; V10-F355 HydrophobicContact CG1-CE2 3.91Å; K19-F355 HydrophobicContact CB-CB 4.47Å; K19-F355 HydrophobicContact CB-CD2 4.36Å; P28-F355 VanDerWaalsContact CA-CE1 3.45Å; P28-F355 HydrophobicContact CB-CD1 4.07Å; P28-F355 HydrophobicContact CB-CD2 4.33Å; P28-F355 HydrophobicContact CB-CE1 4.09Å; P28-F355 HydrophobicContact CB-CE2 4.34Å; P28-F355 HydrophobicContact CB-CG 4.21Å; P28-F355 HydrophobicContact CB-CZ 4.23Å; P28-F355 HydrophobicContact CG-CB 4.24Å; P28-F355 HydrophobicContact CG-CD1 3.58Å; P28-F355 HydrophobicContact CG-CD2 4.37Å; P28-F355 HydrophobicContact CG-CE1 4.05Å; P28-F355 HydrophobicContact CG-CG 3.78Å; H352-F355 PolarHBondContact O-N 2.94Å; H352-F355 VanDerWaalsContact O-N 3.11Å; M353-F355 PolarHBondContact O-N 2.91Å; F355-G357 PolarHBondContact O-N 3.19Å; F355-G358 CarbonylContact O-C 3.41Å; F355-G358 PolarHBondContact O-N 3.46Å; F355-A359 HydrophobicContact CE1-CB 4.14Å; F355-A359 HydrophobicContact CZ-CB 4.48Å; F355-A359 WeakPolarHBondContact O-CB 3.39Å; F355-A359 PolarHBondContact O-N 3.12Å
356L94.8Very high93.9Very high30 Ų3042.6 Ų42.616%0.15722%0.217CC..Hα-helixtrans-60.6-45.5179.6-176.564.8000111.6H352 M353 V354 G358 A359 V360H352-L356 PolarHBondContact O-N 3.22Å; M353-L356 PolarHBondContact O-N 3.19Å; V354-L356 PolarHBondContact O-N 3.43Å; L356-G358 VanDerWaalsContact C-N 3.32Å; L356-G358 PolarHBondContact O-N 3.14Å; L356-A359 PolarHBondContact O-N 3.31Å; L356-V360 WeakPolarHBondContact O-CG2 3.23Å; L356-V360 PolarHBondContact O-N 2.71Å
357G94.8Very high93.7Very high1 Ų142.6 Ų42.61%0.0122%0.217CC..Hα-helixtrans-61.4-41.117500000112.3L144 M353 V354 F355 V360 L361L144-G357 WeakPolarHBondContact O-CA 3.35Å; M353-G357 PolarHBondContact O-N 3.38Å; V354-G357 PolarHBondContact O-N 3.5Å; F355-G357 PolarHBondContact O-N 3.19Å; G357-V360 PolarHBondContact O-N 3Å; G357-L361 VanDerWaalsContact O-CB 3.28Å; G357-L361 WeakPolarHBondContact O-CB 3.14Å; G357-L361 PolarHBondContact O-N 3.17Å
358G95.6Very high93.5Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-62.5-43.3173.100000112.8V354 F355 L356 L361 A362V354-G358 PolarHBondContact O-N 3.06Å; F355-G358 CarbonylContact O-C 3.41Å; F355-G358 PolarHBondContact O-N 3.46Å; L356-G358 VanDerWaalsContact C-N 3.32Å; L356-G358 PolarHBondContact O-N 3.14Å; G358-L361 PolarHBondContact O-N 3.29Å; G358-A362 WeakPolarHBondContact O-CB 3.35Å; G358-A362 PolarHBondContact O-N 3.05Å
359A95.4Very high92.9Very high0 Ų046.6 Ų46.60%022%0.224CC..Hα-helixtrans-64.7-40.5178.300000112.3G24 S25 F355 L356 D363G24-A359 PolarHBondContact N-O 3.16Å; S25-A359 WeakPolarHBondContact O-CB 3.49Å; F355-A359 HydrophobicContact CE1-CB 4.14Å; F355-A359 HydrophobicContact CZ-CB 4.48Å; F355-A359 WeakPolarHBondContact O-CB 3.39Å; F355-A359 PolarHBondContact O-N 3.12Å; L356-A359 PolarHBondContact O-N 3.31Å; A359-D363 WeakPolarHBondContact O-CB 3.14Å; A359-D363 PolarHBondContact O-N 2.89Å; A359-D363 VanDerWaalsContact O-N 3.13Å
360V93.4Very high92.7Very high62 Ų6248 Ų4838%0.37624%0.241SC..Hα-helixtrans-67.6-50.1175171.90000110.8L356 G357 A362 D363 I364L356-V360 WeakPolarHBondContact O-CG2 3.23Å; L356-V360 PolarHBondContact O-N 2.71Å; G357-V360 PolarHBondContact O-N 3Å; V360-A362 PolarHBondContact O-N 2.88Å; V360-D363 PolarHBondContact O-N 2.84Å; V360-I364 HydrophobicContact CG1-CD1 3.71Å; V360-I364 WeakPolarHBondContact O-CG1 3.42Å; V360-I364 PolarHBondContact O-N 2.92Å
361L93.7Very high92.4Very high18 Ų1848.4 Ų48.49%0.09424%0.243CC..Hα-helixtrans-60.8-45.4179.7-179.364.6000111.5L108 Y137 L144 Y147 G357 G358 D363 I364 M365 F371L108-L361 HydrophobicContact CD1-CD2 4.22Å; L108-L361 HydrophobicContact CD1-CG 4.5Å; Y137-L361 HydrophobicContact CE1-CD2 4.3Å; L144-L361 HydrophobicContact CD2-CB 4.27Å; L144-L361 HydrophobicContact CD2-CD2 3.58Å; Y147-L361 HydrophobicContact CD2-CD1 4.41Å; Y147-L361 HydrophobicContact CD2-CD2 4.44Å; G357-L361 VanDerWaalsContact O-CB 3.28Å; G357-L361 WeakPolarHBondContact O-CB 3.14Å; G357-L361 PolarHBondContact O-N 3.17Å; G358-L361 PolarHBondContact O-N 3.29Å; L361-D363 VanDerWaalsContact C-N 3.29Å; L361-D363 PolarHBondContact O-N 2.83Å; L361-I364 PolarHBondContact O-N 2.81Å; L361-M365 HydrophobicContact CD1-CE 4.28Å; L361-M365 HydrophobicContact CD1-CG 3.87Å; L361-M365 HydrophobicContact CG-CG 4.43Å; L361-M365 VanDerWaalsContact O-CB 3.29Å; L361-M365 WeakPolarHBondContact O-CB 3.23Å; L361-M365 WeakPolarHBondContact O-CG 3.42Å; L361-M365 PolarHBondContact O-N 2.97Å; L361-F371 HydrophobicContact CD1-CE2 4.34Å; L361-F371 HydrophobicContact CD1-CZ 4.35Å; L361-F371 HydrophobicContact CD2-CE2 4.3Å; L361-F371 HydrophobicContact CD2-CZ 3.9Å; L361-F371 HydrophobicContact CG-CE2 4.37Å; L361-F371 HydrophobicContact CG-CZ 3.92Å
362A94.6Very high92.4Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-63.4-34.6179.100000112.3V8 V10 A23 L108 G358 V360 K366 W372V8-A362 HydrophobicContact CG1-CB 3.88Å; V10-A362 HydrophobicContact CG2-CB 3.78Å; A23-A362 HydrophobicContact CB-CB 3.74Å; L108-A362 HydrophobicContact CB-CB 4.36Å; L108-A362 HydrophobicContact CD1-CB 4.09Å; G358-A362 WeakPolarHBondContact O-CB 3.35Å; G358-A362 PolarHBondContact O-N 3.05Å; V360-A362 PolarHBondContact O-N 2.88Å; A362-K366 WeakPolarHBondContact O-CA 3.23Å; A362-K366 WeakPolarHBondContact O-CB 3.36Å; A362-K366 PolarHBondContact O-N 2.74Å; A362-W372 HydrophobicContact CB-CH2 4.4Å
363D93.7Very high92.5Very high58 Ų5842.3 Ų42.331%0.3122%0.216SC..Hα-helixtrans-73-40.6178.5-17246.9000112.2A23 A359 V360 L361 M365 K366A23-D363 HydrophobicContact CB-CB 4.11Å; A359-D363 WeakPolarHBondContact O-CB 3.14Å; A359-D363 PolarHBondContact O-N 2.89Å; A359-D363 VanDerWaalsContact O-N 3.13Å; V360-D363 PolarHBondContact O-N 2.84Å; L361-D363 VanDerWaalsContact C-N 3.29Å; L361-D363 PolarHBondContact O-N 2.83Å; D363-M365 VanDerWaalsContact C-N 3.33Å; D363-K366 VanDerWaalsContact O-CD 3.26Å; D363-K366 WeakPolarHBondContact O-CD 3.23Å; D363-K366 WeakPolarHBondContact O-CE 3.26Å; D363-K366 VanDerWaalsContact O-CG 3.31Å; D363-K366 WeakPolarHBondContact O-CG 3.46Å; D363-K366 IonicContact OD1-NZ 3.16Å; D363-K366 PolarHBondContact OD1-NZ 2.91Å
364I91.5Very high92.6Very high114 Ų11443.6 Ų43.659%0.58523%0.225SC*.Hα-helixtrans-67-37.2176.5-63.7166.1000110.8V360 L361V360-I364 HydrophobicContact CG1-CD1 3.71Å; V360-I364 WeakPolarHBondContact O-CG1 3.42Å; V360-I364 PolarHBondContact O-N 2.92Å; L361-I364 PolarHBondContact O-N 2.81Å
365M93.1Very high92.5Very high56 Ų5646.9 Ų46.928%0.27624%0.236SC..Hα-helixtrans-97.11.3-173.7-62.9-62.9-164.300114.6L361 D363 D367 K368 F371 W372L361-M365 HydrophobicContact CD1-CE 4.28Å; L361-M365 HydrophobicContact CD1-CG 3.87Å; L361-M365 HydrophobicContact CG-CG 4.43Å; L361-M365 VanDerWaalsContact O-CB 3.29Å; L361-M365 WeakPolarHBondContact O-CB 3.23Å; L361-M365 WeakPolarHBondContact O-CG 3.42Å; L361-M365 PolarHBondContact O-N 2.97Å; D363-M365 VanDerWaalsContact C-N 3.33Å; M365-D367 PolarHBondContact O-N 3.47Å; M365-K368 PolarHBondContact O-N 2.78Å; M365-K368 HydrophobicContact SD-CB 4.28Å; M365-K368 HydrophobicContact SD-CG 3.85Å; M365-F371 HydrophobicContact CB-CB 4.3Å; M365-F371 HydrophobicContact CB-CD1 3.47Å; M365-F371 VanDerWaalsContact CB-CD1 3.47Å; M365-F371 HydrophobicContact CB-CD2 4.11Å; M365-F371 HydrophobicContact CB-CE1 3.66Å; M365-F371 HydrophobicContact CB-CE2 4.28Å; M365-F371 HydrophobicContact CB-CG 3.69Å; M365-F371 HydrophobicContact CB-CZ 4.06Å; M365-F371 HydrophobicContact CE-CD2 4.27Å; M365-F371 HydrophobicContact CG-CD1 4.11Å; M365-F371 HydrophobicContact CG-CD2 3.82Å; M365-F371 HydrophobicContact CG-CE1 4.14Å; M365-F371 HydrophobicContact CG-CE2 3.87Å; M365-F371 HydrophobicContact CG-CG 3.93Å; M365-F371 HydrophobicContact CG-CZ 4.02Å; M365-F371 HydrophobicContact SD-CD2 4.17Å; M365-F371 HydrophobicContact SD-CG 4.36Å; M365-W372 PolarHBondContact O-NE1 3.18Å
366K92.2Very high92.3Very high48 Ų4853.6 Ų53.621%0.20927%0.268CS..THydrogen-bonded Turntrans-53.7-33.5-174.365.9-165.6171.2-162.30114.6D2 V8 K106 A362 D363D2-K366 HydrophobicContact CB-CB 4.19Å; D2-K366 HydrophobicContact CB-CG 4.44Å; V8-K366 HydrophobicContact CG2-CB 3.87Å; K106-K366 PolarHBondContact NZ-O 3.33Å; A362-K366 WeakPolarHBondContact O-CA 3.23Å; A362-K366 WeakPolarHBondContact O-CB 3.36Å; A362-K366 PolarHBondContact O-N 2.74Å; D363-K366 VanDerWaalsContact O-CD 3.26Å; D363-K366 WeakPolarHBondContact O-CD 3.23Å; D363-K366 WeakPolarHBondContact O-CE 3.26Å; D363-K366 VanDerWaalsContact O-CG 3.31Å; D363-K366 WeakPolarHBondContact O-CG 3.46Å; D363-K366 IonicContact OD1-NZ 3.16Å; D363-K366 PolarHBondContact OD1-NZ 2.91Å
367D90.6Very high92.2Very high72 Ų7254.2 Ų54.239%0.38527%0.27SS..THydrogen-bonded Turntrans-101.97.5-177.8-64.2-51.8000113.9S3 M365S3-D367 WeakPolarHBondContact CB-OD1 3.48Å; S3-D367 PolarHBondContact N-OD1 2.95Å; S3-D367 PolarHBondContact OG-OD1 3.42Å; M365-D367 PolarHBondContact O-N 3.47Å
368K90.6Very high92.2Very high125 Ų12555.1 Ų55.154%0.54327%0.273SS..  trans-95.4101.1-179.8-63.9-63.3-175.2-178.50110.4M365 N370 F371M365-K368 PolarHBondContact O-N 2.78Å; M365-K368 HydrophobicContact SD-CB 4.28Å; M365-K368 HydrophobicContact SD-CG 3.85Å; K368-N370 VanDerWaalsContact C-N 3.29Å; K368-N370 PolarHBondContact O-N 3.1Å; K368-F371 HydrophobicContact CB-CB 3.96Å; K368-F371 WeakPolarHBondContact O-CB 3.38Å; K368-F371 PolarHBondContact O-N 3.1Å
369D80.3Confident92.1Very high106 Ų10661.1 Ų61.157%0.56730%0.301SS*.THydrogen-bonded Turntrans-60.6-35.8-176.5-63.2-36.3000113.4F371D369-F371 PolarHBondContact O-N 2.98Å
370N85.3Confident92.1Very high151 Ų15168.3 Ų68.381%0.80734%0.335SS*.THydrogen-bonded Turntrans-69.8-17.9178.2-72.5-5.3000114.2K368K368-N370 VanDerWaalsContact C-N 3.29Å; K368-N370 PolarHBondContact O-N 3.1Å
371F90.3Very high91.9Very high30 Ų3070.9 Ų70.913%0.13234%0.341CS..THydrogen-bonded Turntrans-80.7-39.8-178.3177.4-97.2000111.7Y137 L361 M365 K368 D369Y137-F371 AromaticContact CD1-CE1 3.88Å; Y137-F371 HydrophobicContact CD1-CE1 3.88Å; Y137-F371 HydrophobicContact CD1-CE2 4.22Å; 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 4.12Å; Y137-F371 HydrophobicContact CD2-CD2 4.31Å; Y137-F371 AromaticContact CD2-CE1 3.77Å; Y137-F371 HydrophobicContact CD2-CE1 3.77Å; Y137-F371 AromaticContact CD2-CE2 3.96Å; Y137-F371 HydrophobicContact CD2-CE2 3.96Å; Y137-F371 HydrophobicContact CD2-CG 4.39Å; Y137-F371 AromaticContact CD2-CZ 3.69Å; Y137-F371 HydrophobicContact CD2-CZ 3.69Å; Y137-F371 WeakPolarHBondContact CD2-O 3.29Å; Y137-F371 HydrophobicContact CE1-CE1 4.29Å; Y137-F371 AromaticContact CE1-CE2 3.8Å; Y137-F371 HydrophobicContact CE1-CE2 3.8Å; Y137-F371 AromaticContact CE1-CZ 3.42Å; Y137-F371 HydrophobicContact CE1-CZ 3.42Å; Y137-F371 VanDerWaalsContact CE1-CZ 3.42Å; Y137-F371 AromaticContact CE2-CD2 3.9Å; Y137-F371 HydrophobicContact CE2-CD2 3.9Å; Y137-F371 HydrophobicContact CE2-CE1 4.17Å; Y137-F371 AromaticContact CE2-CE2 3.49Å; Y137-F371 HydrophobicContact CE2-CE2 3.49Å; Y137-F371 VanDerWaalsContact CE2-CE2 3.49Å; Y137-F371 HydrophobicContact CE2-CG 4.41Å; Y137-F371 AromaticContact CE2-CZ 3.65Å; Y137-F371 HydrophobicContact CE2-CZ 3.65Å; Y137-F371 HydrophobicContact CG-CD1 4.32Å; Y137-F371 AromaticContact CG-CE1 3.59Å; Y137-F371 HydrophobicContact CG-CE1 3.59Å; Y137-F371 HydrophobicContact CG-CE2 4.29Å; Y137-F371 AromaticContact CG-CZ 3.58Å; Y137-F371 HydrophobicContact CG-CZ 3.58Å; Y137-F371 AromaticContact CZ-CE2 3.4Å; Y137-F371 VanDerWaalsContact CZ-CE2 3.4Å; Y137-F371 AromaticContact CZ-CZ 3.53Å; L361-F371 HydrophobicContact CD1-CE2 4.34Å; L361-F371 HydrophobicContact CD1-CZ 4.35Å; L361-F371 HydrophobicContact CD2-CE2 4.3Å; L361-F371 HydrophobicContact CD2-CZ 3.9Å; L361-F371 HydrophobicContact CG-CE2 4.37Å; L361-F371 HydrophobicContact CG-CZ 3.92Å; M365-F371 HydrophobicContact CB-CB 4.3Å; M365-F371 HydrophobicContact CB-CD1 3.47Å; M365-F371 VanDerWaalsContact CB-CD1 3.47Å; M365-F371 HydrophobicContact CB-CD2 4.11Å; M365-F371 HydrophobicContact CB-CE1 3.66Å; M365-F371 HydrophobicContact CB-CE2 4.28Å; M365-F371 HydrophobicContact CB-CG 3.69Å; M365-F371 HydrophobicContact CB-CZ 4.06Å; M365-F371 HydrophobicContact CE-CD2 4.27Å; M365-F371 HydrophobicContact CG-CD1 4.11Å; M365-F371 HydrophobicContact CG-CD2 3.82Å; M365-F371 HydrophobicContact CG-CE1 4.14Å; M365-F371 HydrophobicContact CG-CE2 3.87Å; M365-F371 HydrophobicContact CG-CG 3.93Å; M365-F371 HydrophobicContact CG-CZ 4.02Å; M365-F371 HydrophobicContact SD-CD2 4.17Å; M365-F371 HydrophobicContact SD-CG 4.36Å; K368-F371 HydrophobicContact CB-CB 3.96Å; K368-F371 WeakPolarHBondContact O-CB 3.38Å; K368-F371 PolarHBondContact O-N 3.1Å; D369-F371 PolarHBondContact O-N 2.98Å
372W93.7Very high91.9Very high2 Ų271.2 Ų71.21%0.00835%0.349CS..SBendtrans-86.5135.1-177-61.593.1000110.7V8 K106 I107 L108 A362 M365 T374V8-W372 HydrophobicContact CG1-CH2 3.52Å; V8-W372 HydrophobicContact CG1-CZ2 3.7Å; K106-W372 HydrophobicContact CB-CD2 4.37Å; K106-W372 HydrophobicContact CB-CE3 4.09Å; K106-W372 HydrophobicContact CB-CH2 4.28Å; K106-W372 HydrophobicContact CB-CZ3 4.05Å; K106-W372 HydrophobicContact CD-CD2 3.79Å; K106-W372 HydrophobicContact CD-CE3 4.33Å; K106-W372 HydrophobicContact CD-CG 3.93Å; K106-W372 HydrophobicContact CD-CZ2 4.4Å; I107-W372 WeakPolarHBondContact O-CZ3 3.46Å; L108-W372 HydrophobicContact CB-CH2 4.15Å; L108-W372 HydrophobicContact CB-CZ3 4.31Å; A362-W372 HydrophobicContact CB-CH2 4.4Å; M365-W372 PolarHBondContact O-NE1 3.18Å; W372-T374 PolarHBondContact O-N 3.43Å
373L94.6Very high91.6Very high1 Ų173 Ų731%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-72.8121.1164.1-48.8175.6000106.3I124 F128 G135 V136 V385 L386 K388 L389I124-L373 HydrophobicContact CD1-CD1 3.89Å; F128-L373 HydrophobicContact CE2-CB 4.44Å; F128-L373 HydrophobicContact CZ-CB 4.18Å; F128-L373 WeakPolarHBondContact CZ-O 3.33Å; G135-L373 CarbonylContact C-O 3.5Å; G135-L373 WeakPolarHBondContact CA-O 3.34Å; V136-L373 PolarHBondContact N-O 2.88Å; V136-L373 VanDerWaalsContact O-CB 3.3Å; V136-L373 WeakPolarHBondContact O-CB 3.07Å; V136-L373 WeakPolarHBondContact O-CG 3.42Å; V136-L373 PolarHBondContact O-N 3.2Å; L373-V385 HydrophobicContact CB-CG2 4Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG2 3.96Å; L373-V385 HydrophobicContact CG-CG2 4.43Å; L373-L386 HydrophobicContact CD1-CD2 4.08Å; L373-K388 HydrophobicContact CD2-CB 3.97Å; L373-K388 HydrophobicContact CD2-CD 4.02Å; L373-L389 HydrophobicContact CD1-CD1 3.9Å; L373-L389 HydrophobicContact CD1-CG 4.39Å; L373-L389 HydrophobicContact CD2-CG 4.23Å
374T94.4Very high91.4Very high34 Ų3477.1 Ų77.121%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-93.2155.6-178700000111.2W372 E376 E377 Y378W372-T374 PolarHBondContact O-N 3.43Å; T374-E376 VanDerWaalsContact C-N 3.25Å; T374-E376 PolarHBondContact O-N 3.48Å; T374-E377 PolarHBondContact O-N 3.3Å; T374-E377 VanDerWaalsContact OG1-CG 3.25Å; T374-E377 WeakPolarHBondContact OG1-CG 3.24Å; T374-E377 PolarHBondContact OG1-N 3.32Å; T374-Y378 PolarHBondContact O-N 3.14Å; T374-Y378 VanDerWaalsContact O-N 3.09Å
375R93.6Very high91.2Very high75 Ų7571.9 Ų71.928%0.28334%0.344SS..Hα-helixtrans-59.7-37.9174.8-179178.2167.6173.14.1112.3F128 S134 Y378 Q379F128-R375 HydrophobicContact CD1-CB 3.92Å; F128-R375 HydrophobicContact CD1-CG 4.25Å; F128-R375 HydrophobicContact CE1-CB 4.03Å; S134-R375 PolarHBondContact O-N 2.93Å; S134-R375 VanDerWaalsContact O-N 3.16Å; R375-Y378 PolarHBondContact O-N 2.68Å; R375-Q379 HydrophobicContact CG-CG 4.45Å; R375-Q379 WeakPolarHBondContact O-CG 3.39Å; R375-Q379 PolarHBondContact O-N 2.88Å
376E92.9Very high90.8Very high143 Ų14369.2 Ų69.267%0.66833%0.331SS*.Hα-helixtrans-60.4-47.2178-66.6172.9-178.600110.7T374 Y378 Q379 E380T374-E376 VanDerWaalsContact C-N 3.25Å; T374-E376 PolarHBondContact O-N 3.48Å; E376-Y378 VanDerWaalsContact C-N 3.31Å; E376-Y378 PolarHBondContact O-N 3.35Å; E376-Q379 PolarHBondContact O-N 3.44Å; E376-Q379 VanDerWaalsContact O-N 3.14Å; E376-E380 WeakPolarHBondContact O-CG 3.43Å; E376-E380 PolarHBondContact O-N 3.34Å
377E93.1Very high90.3Very high42 Ų4271 Ų7120%0.19634%0.34CS..Hα-helixtrans-63.6-37.6177.3-70.4175.7158.600112.8T374 E380 K381 V385 K388T374-E377 PolarHBondContact O-N 3.3Å; T374-E377 VanDerWaalsContact OG1-CG 3.25Å; T374-E377 WeakPolarHBondContact OG1-CG 3.24Å; T374-E377 PolarHBondContact OG1-N 3.32Å; E377-E380 PolarHBondContact O-N 2.76Å; E377-K381 WeakPolarHBondContact O-CB 3.42Å; E377-K381 PolarHBondContact O-N 2.63Å; E377-V385 HydrophobicContact CB-CG2 3.81Å; E377-K388 WeakPolarHBondContact OE1-CE 3.23Å; E377-K388 IonicContact OE1-NZ 3.59Å; E377-K388 PolarHBondContact OE1-NZ 3.13Å; E377-K388 WeakPolarHBondContact OE2-CE 3.41Å; E377-K388 IonicContact OE2-NZ 3.16Å; E377-K388 PolarHBondContact OE2-NZ 3Å
378Y94.5Very high89.7Confident20 Ų2072 Ų728%0.07834%0.341CS..Hα-helixtrans-66-38.8174.3178-99.1000111.9I124 F128 E129 T374 R375 E376 E380 G382 V383 V385I124-Y378 HydrophobicContact CG2-CD2 3.79Å; I124-Y378 HydrophobicContact CG2-CE2 3.8Å; F128-Y378 HydrophobicContact CB-CD1 3.44Å; F128-Y378 VanDerWaalsContact CB-CD1 3.44Å; F128-Y378 HydrophobicContact CB-CE1 3.67Å; F128-Y378 HydrophobicContact CB-CG 3.94Å; F128-Y378 AromaticContact CD2-CD1 3.9Å; F128-Y378 HydrophobicContact CD2-CD1 3.9Å; F128-Y378 AromaticContact CD2-CD2 3.66Å; F128-Y378 HydrophobicContact CD2-CD2 3.66Å; F128-Y378 HydrophobicContact CD2-CE1 4.49Å; F128-Y378 HydrophobicContact CD2-CE2 4.29Å; F128-Y378 AromaticContact CD2-CG 3.43Å; F128-Y378 HydrophobicContact CD2-CG 3.43Å; F128-Y378 VanDerWaalsContact CD2-CG 3.43Å; F128-Y378 HydrophobicContact CE2-CD2 4.25Å; F128-Y378 HydrophobicContact CE2-CG 4.1Å; F128-Y378 AromaticContact CG-CD1 3.85Å; F128-Y378 HydrophobicContact CG-CD1 3.85Å; F128-Y378 HydrophobicContact CG-CD2 4.44Å; F128-Y378 HydrophobicContact CG-CE1 4.46Å; F128-Y378 AromaticContact CG-CG 3.84Å; F128-Y378 HydrophobicContact CG-CG 3.84Å; E129-Y378 HydrophobicContact CG-CE1 3.92Å; E129-Y378 PolarHBondContact OE1-OH 2.93Å; E129-Y378 VanDerWaalsContact OE1-OH 3.08Å; T374-Y378 PolarHBondContact O-N 3.14Å; T374-Y378 VanDerWaalsContact O-N 3.09Å; R375-Y378 PolarHBondContact O-N 2.68Å; E376-Y378 VanDerWaalsContact C-N 3.31Å; E376-Y378 PolarHBondContact O-N 3.35Å; Y378-E380 VanDerWaalsContact C-N 3.29Å; Y378-E380 PolarHBondContact O-N 3.02Å; Y378-G382 VanDerWaalsContact CD2-O 3.27Å; Y378-G382 WeakPolarHBondContact CD2-O 3.43Å; Y378-G382 WeakPolarHBondContact O-CA 3.39Å; Y378-G382 PolarHBondContact O-N 3.43Å; Y378-V383 HydrophobicContact CE2-CG2 4.25Å; Y378-V385 HydrophobicContact CD2-CG1 4.14Å
379Q93.6Very high89Confident127 Ų12768.2 Ų68.259%0.59333%0.327SS*.Hα-helixtrans-67-31.7176.7-73.4176-21.100112.5R375 E376R375-Q379 HydrophobicContact CG-CG 4.45Å; R375-Q379 WeakPolarHBondContact O-CG 3.39Å; R375-Q379 PolarHBondContact O-N 2.88Å; E376-Q379 PolarHBondContact O-N 3.44Å; E376-Q379 VanDerWaalsContact O-N 3.14Å
380E93.6Very high88.4Confident150 Ų15066.4 Ų66.470%0.70133%0.333SS*.Hα-helixtrans-78.9-41.8177.4-70.1180175.500113.5E376 E377 Y378E376-E380 WeakPolarHBondContact O-CG 3.43Å; E376-E380 PolarHBondContact O-N 3.34Å; E377-E380 PolarHBondContact O-N 2.76Å; Y378-E380 VanDerWaalsContact C-N 3.29Å; Y378-E380 PolarHBondContact O-N 3.02Å
381K91.2Very high87.4Confident116 Ų11659.8 Ų59.850%0.50430%0.298SS..Hα-helixtrans-113.9-7.4-168.3-60.1176.9-174.5171.30113.7E377 R384E377-K381 WeakPolarHBondContact O-CB 3.42Å; E377-K381 PolarHBondContact O-N 2.63Å; K381-R384 HydrophobicContact CB-CB 4.44Å; K381-R384 WeakPolarHBondContact O-CB 3.39Å; K381-R384 PolarHBondContact O-N 2.72Å
382G92Very high86Confident26 Ų2664 Ų6427%0.26833%0.326SS..G310 helixtrans58.8-140.6-169.300000111.8Y378 R384 V385Y378-G382 VanDerWaalsContact CD2-O 3.27Å; Y378-G382 WeakPolarHBondContact CD2-O 3.43Å; Y378-G382 WeakPolarHBondContact O-CA 3.39Å; Y378-G382 PolarHBondContact O-N 3.43Å; G382-R384 PolarHBondContact O-N 2.82Å; G382-R384 VanDerWaalsContact O-N 3.13Å; G382-V385 PolarHBondContact O-N 3.34Å
383V89.6Confident84.2Confident36 Ų3665.2 Ų65.222%0.21833%0.334CS..G310 helixtrans-62.4-20.6-177.9178.90000113.4E121 Y378 V385 L386 V393E121-V383 HydrophobicContact CB-CG1 3.53Å; E121-V383 HydrophobicContact CG-CG1 3.3Å; Y378-V383 HydrophobicContact CE2-CG2 4.25Å; V383-V385 PolarHBondContact O-N 2.99Å; V383-L386 HydrophobicContact CG1-CD1 4.05Å; V383-L386 WeakPolarHBondContact O-CB 3.47Å; V383-L386 PolarHBondContact O-N 3.27Å; V383-V393 HydrophobicContact CG1-CG1 4.3Å
384R88.3Confident82.2Confident145 Ų14579.7 Ų79.755%0.54739%0.388SS..G310 helixtrans-62.8-11.5178.3-61.9-17367-170.6-2.2113.8K381 G382 L386 E387K381-R384 HydrophobicContact CB-CB 4.44Å; K381-R384 WeakPolarHBondContact O-CB 3.39Å; K381-R384 PolarHBondContact O-N 2.72Å; G382-R384 PolarHBondContact O-N 2.82Å; G382-R384 VanDerWaalsContact O-N 3.13Å; R384-L386 PolarHBondContact O-N 2.95Å; R384-L386 VanDerWaalsContact O-N 3.1Å; R384-E387 IonicContact CZ-OE1 2.97Å; R384-E387 VanDerWaalsContact CZ-OE1 3.31Å; R384-E387 IonicContact NE-OE1 3.3Å; R384-E387 PolarHBondContact NE-OE1 3.26Å; R384-E387 IonicContact NH2-OE1 3.28Å; R384-E387 PolarHBondContact NH2-OE1 2.83Å; R384-E387 IonicContact NH2-OE2 3.31Å; R384-E387 VanDerWaalsContact O-CB 3.3Å; R384-E387 WeakPolarHBondContact O-CB 3.41Å; R384-E387 WeakPolarHBondContact O-CG 3.36Å; R384-E387 PolarHBondContact O-N 2.88Å
385V87Confident81.6Confident4 Ų482 Ų822%0.02440%0.397CS..G310 helixtrans-53.8-27169.1750000112.3I124 L373 E377 Y378 G382 V383 E387 K388I124-V385 HydrophobicContact CG2-CG1 4.22Å; L373-V385 HydrophobicContact CB-CG2 4Å; L373-V385 HydrophobicContact CD1-CG1 4.32Å; L373-V385 HydrophobicContact CD2-CG2 3.96Å; L373-V385 HydrophobicContact CG-CG2 4.43Å; E377-V385 HydrophobicContact CB-CG2 3.81Å; Y378-V385 HydrophobicContact CD2-CG1 4.14Å; G382-V385 PolarHBondContact O-N 3.34Å; V383-V385 PolarHBondContact O-N 2.99Å; V385-E387 PolarHBondContact O-N 2.78Å; V385-K388 WeakPolarHBondContact O-CB 3.49Å; V385-K388 PolarHBondContact O-N 3.14Å
386L85.8Confident81Confident0 Ų082.3 Ų82.30%040%0.403CS..G310 helixtrans-63.7-18174.7-75174.7000114.6R120 E121 I124 L373 V383 R384 K388 L389 V391 V393R120-L386 HydrophobicContact CG-CD1 4.15Å; R120-L386 HydrophobicContact CG-CD2 4.02Å; E121-L386 HydrophobicContact CB-CD1 4.43Å; E121-L386 HydrophobicContact CG-CD1 3.86Å; I124-L386 HydrophobicContact CD1-CD2 4.28Å; I124-L386 HydrophobicContact CG1-CD1 4.18Å; I124-L386 HydrophobicContact CG1-CD2 3.7Å; I124-L386 HydrophobicContact CG1-CG 4.05Å; L373-L386 HydrophobicContact CD1-CD2 4.08Å; V383-L386 HydrophobicContact CG1-CD1 4.05Å; V383-L386 WeakPolarHBondContact O-CB 3.47Å; V383-L386 PolarHBondContact O-N 3.27Å; R384-L386 PolarHBondContact O-N 2.95Å; R384-L386 VanDerWaalsContact O-N 3.1Å; L386-K388 PolarHBondContact O-N 3.1Å; L386-L389 HydrophobicContact CD2-CD1 4.02Å; L386-L389 WeakPolarHBondContact O-CA 3.39Å; L386-L389 PolarHBondContact O-N 3.28Å; L386-V391 HydrophobicContact CB-CB 4.12Å; L386-V391 HydrophobicContact CB-CG2 4.45Å; L386-V391 WeakPolarHBondContact O-CB 3.33Å; L386-V391 PolarHBondContact O-N 2.65Å; L386-V393 HydrophobicContact CB-CG2 4.11Å
387E82.4Confident80.3Confident87 Ų8778.9 Ų78.941%0.40739%0.388SS..G310 helixtrans-58.2-28.6173.8-68.8174.7-171.600111.4R384 V385 L389 G390 V391R384-E387 IonicContact CZ-OE1 2.97Å; R384-E387 VanDerWaalsContact CZ-OE1 3.31Å; R384-E387 IonicContact NE-OE1 3.3Å; R384-E387 PolarHBondContact NE-OE1 3.26Å; R384-E387 IonicContact NH2-OE1 3.28Å; R384-E387 PolarHBondContact NH2-OE1 2.83Å; R384-E387 IonicContact NH2-OE2 3.31Å; R384-E387 VanDerWaalsContact O-CB 3.3Å; R384-E387 WeakPolarHBondContact O-CB 3.41Å; R384-E387 WeakPolarHBondContact O-CG 3.36Å; R384-E387 PolarHBondContact O-N 2.88Å; V385-E387 PolarHBondContact O-N 2.78Å; E387-L389 PolarHBondContact O-N 3.31Å; E387-G390 PolarHBondContact O-N 3.38Å; E387-V391 WeakPolarHBondContact CA-O 3.31Å
388K78.1Confident79.6Confident91 Ų9181.1 Ų81.140%0.39640%0.4SS..G310 helixtrans-61-28.1172.6-75.1-174166.7-169.10113.8L373 E377 V385 L386L373-K388 HydrophobicContact CD2-CB 3.97Å; L373-K388 HydrophobicContact CD2-CD 4.02Å; E377-K388 WeakPolarHBondContact OE1-CE 3.23Å; E377-K388 IonicContact OE1-NZ 3.59Å; E377-K388 PolarHBondContact OE1-NZ 3.13Å; E377-K388 WeakPolarHBondContact OE2-CE 3.41Å; E377-K388 IonicContact OE2-NZ 3.16Å; E377-K388 PolarHBondContact OE2-NZ 3Å; V385-K388 WeakPolarHBondContact O-CB 3.49Å; V385-K388 PolarHBondContact O-N 3.14Å; L386-K388 PolarHBondContact O-N 3.1Å
389L74Confident78.6Confident47 Ų4784.9 Ų84.925%0.24642%0.42CS..G310 helixtrans-9114.8176.6-57.6-177.3000111.9Y137 L373 L386 E387 V391Y137-L389 HydrophobicContact CD2-CD2 3.9Å; Y137-L389 HydrophobicContact CE2-CD2 3.36Å; L373-L389 HydrophobicContact CD1-CD1 3.9Å; L373-L389 HydrophobicContact CD1-CG 4.39Å; L373-L389 HydrophobicContact CD2-CG 4.23Å; L386-L389 HydrophobicContact CD2-CD1 4.02Å; L386-L389 WeakPolarHBondContact O-CA 3.39Å; L386-L389 PolarHBondContact O-N 3.28Å; E387-L389 PolarHBondContact O-N 3.31Å; L389-V391 VanDerWaalsContact C-N 3.29Å; L389-V391 HydrophobicContact CB-CG2 4.27Å; L389-V391 PolarHBondContact O-N 2.94Å
390G68.2Low77.7Confident68 Ų6882.1 Ų82.170%0.70141%0.408SS*.THydrogen-bonded Turntrans73.218-178.800000114E387E387-G390 PolarHBondContact O-N 3.38Å
391V64.3Low76.5Confident11 Ų1177.3 Ų77.37%0.06739%0.387CS..  trans-91.2120.8179.3-172.60000110.1T117 L386 E387 L389 V393T117-V391 HydrophobicContact CG2-CG1 3.87Å; L386-V391 HydrophobicContact CB-CB 4.12Å; L386-V391 HydrophobicContact CB-CG2 4.45Å; L386-V391 WeakPolarHBondContact O-CB 3.33Å; L386-V391 PolarHBondContact O-N 2.65Å; E387-V391 WeakPolarHBondContact CA-O 3.31Å; L389-V391 VanDerWaalsContact C-N 3.29Å; L389-V391 HydrophobicContact CB-CG2 4.27Å; L389-V391 PolarHBondContact O-N 2.94Å; V391-V393 HydrophobicContact CG1-CG2 4.45Å; V391-V393 PolarHBondContact O-N 3.49Å
392T60.7Low75.4Confident120 Ų12074.3 Ų74.374%0.73638%0.378SS*.  trans-78104.4170.5-450000109.7
393V57.4Low74Confident26 Ų2678.3 Ų78.316%0.15839%0.388CS..  trans-84.4131.2171.2-1760000107.8V383 L386 V391V383-V393 HydrophobicContact CG1-CG1 4.3Å; L386-V393 HydrophobicContact CB-CG2 4.11Å; V391-V393 HydrophobicContact CG1-CG2 4.45Å; V391-V393 PolarHBondContact O-N 3.49Å
394R52.3Low72.6Confident305 Ų30582.2 Ų82.2100%1.15140%0.403SS*.  trans-100.40-179.9-81.5-169.7-178.2-176.71.2112.2

Retrieved 394 of 394 residues in 3070.2 ms (Link to these results)

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