A0A087X905_POEFO Loading...

hydroxymethylglutaryl-CoA lyase

AlphaFold DB , UniProt , Accession A0A087X905, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 264 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
1M97.7Very high98.3Very high116 Ų11655.4 Ų55.457%0.57131%0.307SS*.  0-59.80-63.6-178.279.200111.3S3 E4 S5 D240 A241 F244M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.99Å; M1-E4 WeakPolarHBondContact O-CA 3.42Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.25Å; M1-S5 PolarHBondContact O-N 2.98Å; M1-D240 HydrophobicContact CE-CB 4.27Å; M1-D240 WeakPolarHBondContact CE-O 3.46Å; M1-A241 HydrophobicContact CB-CB 3.8Å; M1-A241 HydrophobicContact CE-CB 4.41Å; M1-F244 HydrophobicContact CE-CB 3.87Å; M1-F244 HydrophobicContact CE-CG 4.4Å; M1-F244 HydrophobicContact SD-CB 3.77Å; M1-F244 HydrophobicContact SD-CD1 3.75Å; M1-F244 HydrophobicContact SD-CD2 4.31Å; M1-F244 HydrophobicContact SD-CE1 4.46Å; M1-F244 HydrophobicContact SD-CG 3.67Å
2L98.4Very high98.2Very high46 Ų4653 Ų5324%0.24130%0.3CS..G310 helixtrans-56.6-39.8177.7-67.2176.7000113.7E4 S5 L7 I10 V199 L238 A241L2-E4 PolarHBondContact O-N 3.38Å; L2-E4 VanDerWaalsContact O-N 3.08Å; L2-S5 PolarHBondContact O-N 3.29Å; L2-S5 PolarHBondContact O-OG 3.11Å; L2-L7 HydrophobicContact CB-CD1 4.15Å; L2-L7 HydrophobicContact CD2-CD1 3.95Å; L2-I10 HydrophobicContact CB-CD1 3.64Å; L2-I10 HydrophobicContact CB-CG1 4.29Å; L2-I10 HydrophobicContact CD1-CG2 4.17Å; L2-V199 HydrophobicContact CD2-CB 4.14Å; L2-V199 HydrophobicContact CD2-CG2 3.97Å; L2-L238 HydrophobicContact CD2-CD1 3.74Å; L2-A241 HydrophobicContact CD2-CB 3.7Å; L2-A241 HydrophobicContact CG-CB 4.24Å
3S98.3Very high98.2Very high17 Ų1749.6 Ų49.612%0.11928%0.282CS..G310 helixtrans-58.3-24.9173.4-410000113.3M1 K37 Y42M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 2.99Å; S3-K37 WeakPolarHBondContact O-CD 3.06Å; S3-K37 PolarHBondContact O-NZ 3.05Å; S3-Y42 WeakPolarHBondContact CB-OH 3.37Å; S3-Y42 PolarHBondContact OG-OH 3.01Å
4E98.1Very high98.2Very high100 Ų10047.1 Ų47.147%0.46727%0.268SS..G310 helixtrans-89.1-11.9179.8-60.6-51.5137.400113.6M1 L2 G6 K37 K237M1-E4 WeakPolarHBondContact O-CA 3.42Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.25Å; L2-E4 PolarHBondContact O-N 3.38Å; L2-E4 VanDerWaalsContact O-N 3.08Å; E4-G6 VanDerWaalsContact C-N 3.27Å; E4-K37 IonicContact OE1-NZ 3.61Å; E4-K37 IonicContact OE2-NZ 3.08Å; E4-K37 PolarHBondContact OE2-NZ 3.42Å; E4-K237 WeakPolarHBondContact O-CD 3.42Å
5S98Very high98.1Very high1 Ų144.2 Ų44.21%0.00725%0.252CS..THydrogen-bonded Turntrans-81.9-3.9174.571.10000113.1M1 L2 V233 D234M1-S5 PolarHBondContact O-N 2.98Å; L2-S5 PolarHBondContact O-N 3.29Å; L2-S5 PolarHBondContact O-OG 3.11Å; S5-V233 CarbonylContact O-C 3.44Å; S5-V233 VanDerWaalsContact O-CA 3.24Å; S5-V233 WeakPolarHBondContact O-CA 3.49Å; S5-D234 PolarHBondContact O-N 3.38Å
6G98Very high97.8Very high33 Ų3342.9 Ų42.934%0.3425%0.245SC..THydrogen-bonded Turntrans88.79-179.600000114.5E4 P8E4-G6 VanDerWaalsContact C-N 3.27Å; G6-P8 WeakPolarHBondContact O-CD 3.49Å
7L98.6Very high97.4Very high30 Ų3043.5 Ų43.516%0.15725%0.252CS..  trans-62.3124.7169.5-74.5167.9000110.2L2 I10 T217 V233 L238L2-L7 HydrophobicContact CB-CD1 4.15Å; L2-L7 HydrophobicContact CD2-CD1 3.95Å; L7-I10 HydrophobicContact CB-CD1 4.33Å; L7-I10 HydrophobicContact CB-CG1 4Å; L7-I10 HydrophobicContact CD1-CG1 4.41Å; L7-T217 HydrophobicContact CD2-CG2 4.45Å; L7-V233 HydrophobicContact CD2-CG2 3.86Å; L7-V233 HydrophobicContact CG-CG2 4.31Å; L7-L238 HydrophobicContact CD1-CD1 4.07Å
8P98Very high97.1Very high75 Ų7544.6 Ų44.649%0.48726%0.261SS..SBendtrans-81.1-20.3-179.632-35000112.9G6 V40 S41G6-P8 WeakPolarHBondContact O-CD 3.49Å; P8-V40 CarbonylContact O-C 3.52Å; P8-V40 WeakPolarHBondContact O-CA 3.28Å; P8-S41 PolarHBondContact O-N 2.88Å
9V98.6Very high96.8Very high64 Ų6450.9 Ų50.939%0.38829%0.285SS..BIsolated β-bridgetrans-138.1130.9-179.3-172.70000108.7S41 P43V9-S41 WeakPolarHBondContact CA-O 3.48Å; V9-P43 HydrophobicContact CG1-CG 3.64Å
10I98.8Very high96.3Very high24 Ų2458.3 Ų58.312%0.12331%0.308CS..  trans-135.1109.7178.4-58.8164.3000108.2L2 L7 A12 V40 S41 Y42 P43L2-I10 HydrophobicContact CB-CD1 3.64Å; L2-I10 HydrophobicContact CB-CG1 4.29Å; L2-I10 HydrophobicContact CD1-CG2 4.17Å; L7-I10 HydrophobicContact CB-CD1 4.33Å; L7-I10 HydrophobicContact CB-CG1 4Å; L7-I10 HydrophobicContact CD1-CG1 4.41Å; I10-A12 PolarHBondContact O-N 2.91Å; I10-V40 HydrophobicContact CD1-CG1 4.03Å; I10-V40 HydrophobicContact CG1-CG1 4.35Å; I10-S41 PolarHBondContact N-O 2.8Å; I10-Y42 HydrophobicContact CB-CD1 4.19Å; I10-Y42 HydrophobicContact CB-CE1 4.33Å; I10-Y42 HydrophobicContact CD1-CE1 4.03Å; I10-Y42 WeakPolarHBondContact O-CA 3.44Å; I10-P43 WeakPolarHBondContact O-CD 3.29Å
11E98.6Very high96Very high103 Ų10358 Ų5848%0.48131%0.309SS..  trans-64111.9172.4-170.1176.3-109.300109.5P43 Y106E11-P43 WeakPolarHBondContact CA-O 3.45Å; E11-P43 HydrophobicContact CB-CG 4.46Å; E11-Y106 PolarHBondContact OE1-OH 3.46Å
12A97.9Very high95.8Very high27 Ų2756.3 Ų56.322%0.22331%0.306CS..  trans-87.7-39.6-163.700000112.8I10 M31 I34 P43 V44I10-A12 PolarHBondContact O-N 2.91Å; A12-M31 HydrophobicContact CB-SD 3.61Å; A12-I34 HydrophobicContact CB-CD1 4.26Å; A12-P43 PolarHBondContact N-O 3.01Å; A12-V44 HydrophobicContact CB-CG1 4.24Å
13T98.1Very high95.6Very high9 Ų960.7 Ų60.76%0.05533%0.326CS..EExtended strand (participates in β ladder)trans-169.4-175.7-178.4-166.70000111.1F15 Q27 M31 V44 L45T13-F15 HydrophobicContact CG2-CD2 4.23Å; T13-F15 HydrophobicContact CG2-CE2 3.73Å; T13-Q27 HydrophobicContact CG2-CB 3.89Å; T13-Q27 WeakPolarHBondContact OG1-CA 3.1Å; T13-Q27 WeakPolarHBondContact OG1-CB 3.41Å; T13-M31 HydrophobicContact CG2-CG 3.65Å; T13-M31 HydrophobicContact CG2-SD 4.23Å; T13-V44 HydrophobicContact CG2-CB 4.3Å; T13-V44 HydrophobicContact CG2-CG1 3.75Å; T13-V44 VanDerWaalsContact O-CA 3.27Å; T13-V44 WeakPolarHBondContact O-CA 3.2Å; T13-V44 WeakPolarHBondContact O-CB 3.2Å; T13-L45 PolarHBondContact O-N 3.14Å; T13-L45 VanDerWaalsContact O-N 3.1Å
14S97.6Very high95.5Very high14 Ų1462.8 Ų62.810%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-133.2121.9-179.1178.70000110.8V16 Q27 L45S14-V16 PolarHBondContact O-N 3.27Å; S14-V16 WeakPolarHBondContact OG-CG1 3.34Å; S14-V16 WeakPolarHBondContact OG-CG2 3.31Å; S14-Q27 PolarHBondContact O-OE1 3.01Å; S14-L45 WeakPolarHBondContact OG-CB 3.49Å; S14-L45 WeakPolarHBondContact OG-CD2 3.27Å
15F97.1Very high95.4Very high4 Ų460.6 Ų60.62%0.01833%0.333CS..  trans-79.850.8176.9-75.9-99.4000112.7T13 Q27 V28 M31 V44 L45 T46 P47 G51 A54 A55 A58T13-F15 HydrophobicContact CG2-CD2 4.23Å; T13-F15 HydrophobicContact CG2-CE2 3.73Å; F15-Q27 HydrophobicContact CD1-CG 3.93Å; F15-Q27 VanDerWaalsContact CD1-NE2 3.26Å; F15-Q27 HydrophobicContact CE1-CB 4.42Å; F15-Q27 HydrophobicContact CE1-CG 3.87Å; F15-Q27 HydrophobicContact CE2-CB 4.42Å; F15-Q27 HydrophobicContact CG-CG 4.39Å; F15-Q27 HydrophobicContact CZ-CB 4.32Å; F15-Q27 HydrophobicContact CZ-CG 4.26Å; F15-V28 HydrophobicContact CE1-CG2 4.02Å; F15-M31 HydrophobicContact CE2-CG 3.91Å; F15-M31 HydrophobicContact CZ-CG 4.03Å; F15-V44 HydrophobicContact CD2-CB 3.9Å; F15-V44 HydrophobicContact CD2-CG1 4.49Å; F15-V44 HydrophobicContact CD2-CG2 3.71Å; F15-V44 HydrophobicContact CE2-CB 3.99Å; F15-V44 HydrophobicContact CE2-CG1 4.1Å; F15-V44 HydrophobicContact CE2-CG2 3.81Å; F15-L45 WeakPolarHBondContact CA-O 3.42Å; F15-L45 WeakPolarHBondContact CB-O 3.41Å; F15-L45 PolarHBondContact N-O 3.09Å; F15-T46 HydrophobicContact CB-CG2 4.32Å; F15-P47 WeakPolarHBondContact O-CD 3.43Å; F15-G51 WeakPolarHBondContact CB-O 3.31Å; F15-A54 HydrophobicContact CD1-CB 3.7Å; F15-A54 HydrophobicContact CE1-CB 4.13Å; F15-A55 HydrophobicContact CB-CB 4.45Å; F15-A55 HydrophobicContact CD1-CB 4.12Å; F15-A55 HydrophobicContact CD2-CB 3.6Å; F15-A55 HydrophobicContact CE1-CB 4.31Å; F15-A55 HydrophobicContact CE2-CB 3.82Å; F15-A55 HydrophobicContact CG-CB 3.78Å; F15-A55 HydrophobicContact CZ-CB 4.19Å; F15-A58 HydrophobicContact CE1-CB 4Å; F15-A58 HydrophobicContact CZ-CB 3.59Å
16V93.5Very high95.4Very high24 Ų2464.3 Ų64.315%0.14535%0.353CS..  trans-92.1172.7178.9-72.40000111.3S14 P18 V21 M24 Q27 P47S14-V16 PolarHBondContact O-N 3.27Å; S14-V16 WeakPolarHBondContact OG-CG1 3.34Å; S14-V16 WeakPolarHBondContact OG-CG2 3.31Å; V16-P18 VanDerWaalsContact O-CD 3.31Å; V16-P18 WeakPolarHBondContact O-CD 3.34Å; V16-V21 HydrophobicContact CG2-CB 3.77Å; V16-V21 HydrophobicContact CG2-CG1 4.38Å; V16-V21 HydrophobicContact CG2-CG2 4.02Å; V16-M24 HydrophobicContact CG2-CB 3.94Å; V16-M24 HydrophobicContact CG2-CG 4.26Å; V16-Q27 PolarHBondContact O-OE1 2.7Å; V16-P47 HydrophobicContact CG1-CG 3.78Å
17S91.1Very high95.4Very high53 Ų5363.8 Ų63.837%0.37134%0.342SS..  trans-72.1123.3173.7179.20000110.3K19 W20 V21S17-K19 PolarHBondContact O-N 3.09Å; S17-K19 VanDerWaalsContact O-N 3.09Å; S17-K19 WeakPolarHBondContact OG-CB 3.31Å; S17-K19 PolarHBondContact OG-N 3.44Å; S17-W20 PolarHBondContact O-N 3.02Å; S17-V21 PolarHBondContact O-N 3.16Å; S17-V21 VanDerWaalsContact O-N 3.08Å
18P91.9Very high95.4Very high62 Ų6264.6 Ų64.640%0.40335%0.347SS..THydrogen-bonded Turntrans-60.4-21.7175.7-25.135.7000113.4V16 W20 V21 P22 A25V16-P18 VanDerWaalsContact O-CD 3.31Å; V16-P18 WeakPolarHBondContact O-CD 3.34Å; P18-W20 VanDerWaalsContact C-N 3.26Å; P18-W20 PolarHBondContact O-N 3.29Å; P18-V21 CarbonylContact O-C 3.32Å; P18-P22 VanDerWaalsContact O-CA 3.3Å; P18-P22 WeakPolarHBondContact O-CA 3.24Å; P18-A25 HydrophobicContact CB-CB 3.82Å; P18-A25 HydrophobicContact CG-CB 4.3Å
19K91.1Very high95.4Very high165 Ų16566.9 Ų66.972%0.71735%0.352SS*.THydrogen-bonded Turntrans-61.2-36.5173.9-177.7-179.4175.8-179.70112S17S17-K19 PolarHBondContact O-N 3.09Å; S17-K19 VanDerWaalsContact O-N 3.09Å; S17-K19 WeakPolarHBondContact OG-CB 3.31Å; S17-K19 PolarHBondContact OG-N 3.44Å
20W86.8Confident95.3Very high199 Ų19965.8 Ų65.875%0.75435%0.345SS*.THydrogen-bonded Turntrans-96.6-33.4-176.4-57.3126.2000111.9S17 P18S17-W20 PolarHBondContact O-N 3.02Å; P18-W20 VanDerWaalsContact C-N 3.26Å; P18-W20 PolarHBondContact O-N 3.29Å
21V89.5Confident95.3Very high53 Ų5364.8 Ų64.832%0.32134%0.34SS..  trans-132.279-179.4-168.40000109.3V16 S17 P18 Q23 M24V16-V21 HydrophobicContact CG2-CB 3.77Å; V16-V21 HydrophobicContact CG2-CG1 4.38Å; V16-V21 HydrophobicContact CG2-CG2 4.02Å; S17-V21 PolarHBondContact O-N 3.16Å; S17-V21 VanDerWaalsContact O-N 3.08Å; P18-V21 CarbonylContact O-C 3.32Å; V21-Q23 PolarHBondContact O-N 3.36Å; V21-M24 HydrophobicContact CG1-CB 4.27Å; V21-M24 HydrophobicContact CG1-CG 3.71Å; V21-M24 PolarHBondContact O-N 3.12Å; V21-M24 VanDerWaalsContact O-N 3.13Å
22P93.5Very high95.2Very high80 Ų8066.8 Ų66.852%0.51935%0.347SS..G310 helixtrans-64.1-22.3-175.725.1-34.7000113.2P18 M24 A25P18-P22 VanDerWaalsContact O-CA 3.3Å; P18-P22 WeakPolarHBondContact O-CA 3.24Å; P22-M24 PolarHBondContact O-N 3.37Å; P22-A25 VanDerWaalsContact O-CB 3.23Å; P22-A25 WeakPolarHBondContact O-CB 3.32Å; P22-A25 PolarHBondContact O-N 3.36Å
23Q94.1Very high95.2Very high138 Ų13868.4 Ų68.465%0.64537%0.366SS*.G310 helixtrans-64.1-20.7176.7-60.579.7500112.9V21V21-Q23 PolarHBondContact O-N 3.36Å
24M96.6Very high95.2Very high61 Ų6170.5 Ų70.530%0.338%0.377SS..G310 helixtrans-104.914.7179.4-57.8-72.196.800112.1V16 V21 P22 D26 Q27V16-M24 HydrophobicContact CG2-CB 3.94Å; V16-M24 HydrophobicContact CG2-CG 4.26Å; V21-M24 HydrophobicContact CG1-CB 4.27Å; V21-M24 HydrophobicContact CG1-CG 3.71Å; V21-M24 PolarHBondContact O-N 3.12Å; V21-M24 VanDerWaalsContact O-N 3.13Å; P22-M24 PolarHBondContact O-N 3.37Å; M24-D26 PolarHBondContact O-N 2.86Å; M24-Q27 WeakPolarHBondContact O-CB 3.43Å; M24-Q27 PolarHBondContact O-N 3.31Å; M24-Q27 PolarHBondContact O-OE1 3.06Å
25A96.7Very high95.1Very high53 Ų5375 Ų7544%0.43841%0.408SS..THydrogen-bonded Turntrans-62.5-28.7-173.400000113.8P18 P22 Q27P18-A25 HydrophobicContact CB-CB 3.82Å; P18-A25 HydrophobicContact CG-CB 4.3Å; P22-A25 VanDerWaalsContact O-CB 3.23Å; P22-A25 WeakPolarHBondContact O-CB 3.32Å; P22-A25 PolarHBondContact O-N 3.36Å; A25-Q27 VanDerWaalsContact C-N 3.33Å
26D97.6Very high95.1Very high80 Ų8079.8 Ų79.843%0.42843%0.429SS..THydrogen-bonded Turntrans-93.419.4-177.162.9-16.6000113.3M24 V28 E29 V30M24-D26 PolarHBondContact O-N 2.86Å; D26-V28 PolarHBondContact O-N 2.97Å; D26-E29 VanDerWaalsContact C-OE2 3.31Å; D26-E29 VanDerWaalsContact CA-OE2 3.32Å; D26-E29 WeakPolarHBondContact CA-OE2 3.46Å; D26-E29 HydrophobicContact CB-CB 4.5Å; D26-E29 PolarHBondContact O-N 2.81Å; D26-E29 VanDerWaalsContact O-N 3.09Å; D26-V30 WeakPolarHBondContact O-CG2 3.48Å; D26-V30 PolarHBondContact O-N 2.92Å
27Q97.7Very high95.2Very high22 Ų2282 Ų8210%0.10344%0.437CS..Hα-helixtrans-48.8-35-179.365.2-165.229.500114.5T13 S14 F15 V16 M24 A25 M31T13-Q27 HydrophobicContact CG2-CB 3.89Å; T13-Q27 WeakPolarHBondContact OG1-CA 3.1Å; T13-Q27 WeakPolarHBondContact OG1-CB 3.41Å; S14-Q27 PolarHBondContact O-OE1 3.01Å; F15-Q27 HydrophobicContact CD1-CG 3.93Å; F15-Q27 VanDerWaalsContact CD1-NE2 3.26Å; F15-Q27 HydrophobicContact CE1-CB 4.42Å; F15-Q27 HydrophobicContact CE1-CG 3.87Å; F15-Q27 HydrophobicContact CE2-CB 4.42Å; F15-Q27 HydrophobicContact CG-CG 4.39Å; F15-Q27 HydrophobicContact CZ-CB 4.32Å; F15-Q27 HydrophobicContact CZ-CG 4.26Å; V16-Q27 PolarHBondContact O-OE1 2.7Å; M24-Q27 WeakPolarHBondContact O-CB 3.43Å; M24-Q27 PolarHBondContact O-N 3.31Å; M24-Q27 PolarHBondContact O-OE1 3.06Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-M31 WeakPolarHBondContact O-CG 3.38Å; Q27-M31 PolarHBondContact O-N 2.82Å
28V97.9Very high95.5Very high46 Ų4685.4 Ų85.428%0.27946%0.458SS..Hα-helixtrans-75.6-45.3-178.8176.10000110.2F15 D26 M31 K32F15-V28 HydrophobicContact CE1-CG2 4.02Å; D26-V28 PolarHBondContact O-N 2.97Å; V28-M31 PolarHBondContact O-N 3.09Å; V28-K32 HydrophobicContact CG1-CD 4.09Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.32Å; V28-K32 PolarHBondContact O-N 3.46Å
29E98.2Very high95.6Very high123 Ų12386.3 Ų86.358%0.57548%0.478SS*.Hα-helixtrans-63-43.3178.3-66.272.3-163.300110.3D26 K32 G33D26-E29 VanDerWaalsContact C-OE2 3.31Å; D26-E29 VanDerWaalsContact CA-OE2 3.32Å; D26-E29 WeakPolarHBondContact CA-OE2 3.46Å; D26-E29 HydrophobicContact CB-CB 4.5Å; D26-E29 PolarHBondContact O-N 2.81Å; D26-E29 VanDerWaalsContact O-N 3.09Å; E29-K32 PolarHBondContact O-N 3.48Å; E29-G33 WeakPolarHBondContact O-CA 3.49Å; E29-G33 PolarHBondContact O-N 3.27Å
30V98.2Very high96Very high42 Ų4279.7 Ų79.726%0.25545%0.451SS..Hα-helixtrans-59.5-53.8175.1171.60000110.6D26 K32 G33 I34D26-V30 WeakPolarHBondContact O-CG2 3.48Å; D26-V30 PolarHBondContact O-N 2.92Å; V30-K32 VanDerWaalsContact C-N 3.28Å; V30-K32 PolarHBondContact O-N 3.06Å; V30-G33 PolarHBondContact O-N 3.44Å; V30-G33 VanDerWaalsContact O-N 3.09Å; V30-I34 HydrophobicContact CG1-CG2 4.33Å; V30-I34 WeakPolarHBondContact O-CG2 3.46Å; V30-I34 PolarHBondContact O-N 3.18Å
31M97.9Very high96.5Very high3 Ų372.1 Ų72.12%0.01543%0.429CS..Hα-helixtrans-63-32.9-177.1-80.6-56.9-67.200113.9A12 T13 F15 Q27 V28 I34 V44 A58 A60A12-M31 HydrophobicContact CB-SD 3.61Å; T13-M31 HydrophobicContact CG2-CG 3.65Å; T13-M31 HydrophobicContact CG2-SD 4.23Å; F15-M31 HydrophobicContact CE2-CG 3.91Å; F15-M31 HydrophobicContact CZ-CG 4.03Å; Q27-M31 WeakPolarHBondContact O-CG 3.38Å; Q27-M31 PolarHBondContact O-N 2.82Å; V28-M31 PolarHBondContact O-N 3.09Å; M31-I34 HydrophobicContact SD-CD1 4.18Å; M31-V44 HydrophobicContact CE-CG1 3.95Å; M31-V44 HydrophobicContact CG-CG1 3.97Å; M31-V44 HydrophobicContact SD-CG1 3.41Å; M31-V44 WeakPolarHBondContact SD-CG1 3.49Å; M31-A58 HydrophobicContact CB-CB 3.97Å; M31-A60 HydrophobicContact CE-CB 4.16Å
32K97.4Very high97Very high144 Ų14470 Ų7063%0.62642%0.415SS*.Hα-helixtrans-80.6-27175.4-70-178.9178.3-178.30113V28 E29 V30V28-K32 HydrophobicContact CG1-CD 4.09Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.32Å; V28-K32 PolarHBondContact O-N 3.46Å; E29-K32 PolarHBondContact O-N 3.48Å; V30-K32 VanDerWaalsContact C-N 3.28Å; V30-K32 PolarHBondContact O-N 3.06Å
33G97.7Very high97.2Very high61 Ų6166.3 Ų66.363%0.62939%0.391SS*.Hα-helixtrans-88.4-22.6-174.700000114.7E29 V30E29-G33 WeakPolarHBondContact O-CA 3.49Å; E29-G33 PolarHBondContact O-N 3.27Å; V30-G33 PolarHBondContact O-N 3.44Å; V30-G33 VanDerWaalsContact O-N 3.09Å
34I97.8Very high97.4Very high54 Ų5459.7 Ų59.728%0.27736%0.36SS..SBendtrans-69.4140177.958.6169.5000112.1A12 V30 M31 K36 Y42A12-I34 HydrophobicContact CB-CD1 4.26Å; V30-I34 HydrophobicContact CG1-CG2 4.33Å; V30-I34 WeakPolarHBondContact O-CG2 3.46Å; V30-I34 PolarHBondContact O-N 3.18Å; M31-I34 HydrophobicContact SD-CD1 4.18Å; I34-K36 HydrophobicContact CG1-CG 4.48Å; I34-K36 PolarHBondContact O-N 2.89Å; I34-Y42 HydrophobicContact CD1-CD1 3.73Å; I34-Y42 HydrophobicContact CD1-CE1 4.26Å; I34-Y42 HydrophobicContact CD1-CG 3.88Å
35S96.1Very high97.5Very high108 Ų10858.2 Ų58.276%0.75535%0.353SS*.  trans-78.4110.4166.9-58.20000109.6K37S35-K37 PolarHBondContact O-N 3Å
36K95.4Very high97.4Very high105 Ų10555.7 Ų55.746%0.45733%0.332SS..  trans-77.8111.9178.9-63.4-178.5-178178.70110.2I34 Y42 G59I34-K36 HydrophobicContact CG1-CG 4.48Å; I34-K36 PolarHBondContact O-N 2.89Å; K36-Y42 HydrophobicContact CB-CD2 4.37Å; K36-Y42 HydrophobicContact CB-CE2 3.92Å; K36-Y42 HydrophobicContact CG-CD2 4.1Å; K36-Y42 HydrophobicContact CG-CE2 4.08Å; K36-G59 PolarHBondContact NZ-O 3.13Å
37K96.9Very high97Very high70 Ų7053.3 Ų53.330%0.30432%0.321SS..  trans-80.5134.3178.2-171.4173.7-175.71660110.2S3 E4 S35 G39 V40 Y42S3-K37 WeakPolarHBondContact O-CD 3.06Å; S3-K37 PolarHBondContact O-NZ 3.05Å; E4-K37 IonicContact OE1-NZ 3.61Å; E4-K37 IonicContact OE2-NZ 3.08Å; E4-K37 PolarHBondContact OE2-NZ 3.42Å; S35-K37 PolarHBondContact O-N 3Å; K37-G39 PolarHBondContact O-N 3.47Å; K37-V40 HydrophobicContact CB-CB 4.32Å; K37-V40 HydrophobicContact CB-CG2 3.92Å; K37-V40 HydrophobicContact CD-CG2 4.21Å; K37-V40 HydrophobicContact CG-CG2 4.23Å; K37-V40 PolarHBondContact O-N 3.3Å; K37-V40 VanDerWaalsContact O-N 3.12Å; K37-Y42 PolarHBondContact N-OH 3.32Å
38P96.3Very high96.7Very high125 Ų12555.9 Ų55.981%0.81234%0.336SS*.THydrogen-bonded Turntrans-54.3132.9174.7-26.335000111.8V40P38-V40 VanDerWaalsContact C-N 3.33Å
39G95.4Very high96.5Very high81 Ų8156.2 Ų56.284%0.83534%0.336SS*.THydrogen-bonded Turntrans80.74.9-179.100000115.6K37K37-G39 PolarHBondContact O-N 3.47Å
40V98.3Very high96.4Very high25 Ų2558.6 Ų58.615%0.15234%0.344CS..  trans-109.4127.7174.1-177.20000110.1P8 I10 K37 P38 Y42P8-V40 CarbonylContact O-C 3.52Å; P8-V40 WeakPolarHBondContact O-CA 3.28Å; I10-V40 HydrophobicContact CD1-CG1 4.03Å; I10-V40 HydrophobicContact CG1-CG1 4.35Å; K37-V40 HydrophobicContact CB-CB 4.32Å; K37-V40 HydrophobicContact CB-CG2 3.92Å; K37-V40 HydrophobicContact CD-CG2 4.21Å; K37-V40 HydrophobicContact CG-CG2 4.23Å; K37-V40 PolarHBondContact O-N 3.3Å; K37-V40 VanDerWaalsContact O-N 3.12Å; P38-V40 VanDerWaalsContact C-N 3.33Å; V40-Y42 HydrophobicContact CB-CE2 3.97Å; V40-Y42 HydrophobicContact CG1-CE1 3.93Å; V40-Y42 HydrophobicContact CG1-CE2 3.94Å; V40-Y42 WeakPolarHBondContact O-CD2 3.42Å; V40-Y42 VanDerWaalsContact O-CE2 3.28Å; V40-Y42 WeakPolarHBondContact O-CE2 3.33Å
41S98.2Very high96.3Very high40 Ų4056.9 Ų56.928%0.2834%0.335SS..BIsolated β-bridgetrans-84.3143171.8-82.70000111.4P8 V9 I10 P43 E62P8-S41 PolarHBondContact O-N 2.88Å; V9-S41 WeakPolarHBondContact CA-O 3.48Å; I10-S41 PolarHBondContact N-O 2.8Å; S41-P43 VanDerWaalsContact C-CD 3.47Å; S41-P43 WeakPolarHBondContact O-CD 3.46Å; S41-E62 VanDerWaalsContact CB-OE2 3.29Å; S41-E62 WeakPolarHBondContact CB-OE2 3.33Å; S41-E62 PolarHBondContact OG-OE2 3.44Å
42Y98.6Very high96.3Very high10 Ų1056.9 Ų56.94%0.03934%0.335CS..  trans-125.169177.6-59.7-82.8000110.5S3 I10 I34 K36 K37 V40S3-Y42 WeakPolarHBondContact CB-OH 3.37Å; S3-Y42 PolarHBondContact OG-OH 3.01Å; I10-Y42 HydrophobicContact CB-CD1 4.19Å; I10-Y42 HydrophobicContact CB-CE1 4.33Å; I10-Y42 HydrophobicContact CD1-CE1 4.03Å; I10-Y42 WeakPolarHBondContact O-CA 3.44Å; I34-Y42 HydrophobicContact CD1-CD1 3.73Å; I34-Y42 HydrophobicContact CD1-CE1 4.26Å; I34-Y42 HydrophobicContact CD1-CG 3.88Å; K36-Y42 HydrophobicContact CB-CD2 4.37Å; K36-Y42 HydrophobicContact CB-CE2 3.92Å; K36-Y42 HydrophobicContact CG-CD2 4.1Å; K36-Y42 HydrophobicContact CG-CE2 4.08Å; K37-Y42 PolarHBondContact N-OH 3.32Å; V40-Y42 HydrophobicContact CB-CE2 3.97Å; V40-Y42 HydrophobicContact CG1-CE1 3.93Å; V40-Y42 HydrophobicContact CG1-CE2 3.94Å; V40-Y42 WeakPolarHBondContact O-CD2 3.42Å; V40-Y42 VanDerWaalsContact O-CE2 3.28Å; V40-Y42 WeakPolarHBondContact O-CE2 3.33Å
43P98.4Very high96.3Very high1 Ų154.6 Ų54.61%0.00633%0.326CS..  trans-61.5152.2178.923.4-31.7000111.6V9 I10 E11 A12 S41 E62V9-P43 HydrophobicContact CG1-CG 3.64Å; I10-P43 WeakPolarHBondContact O-CD 3.29Å; E11-P43 WeakPolarHBondContact CA-O 3.45Å; E11-P43 HydrophobicContact CB-CG 4.46Å; A12-P43 PolarHBondContact N-O 3.01Å; S41-P43 VanDerWaalsContact C-CD 3.47Å; S41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-E62 WeakPolarHBondContact CA-O 3.35Å; P43-E62 HydrophobicContact CB-CB 4.29Å; P43-E62 HydrophobicContact CB-CG 3.98Å; P43-E62 WeakPolarHBondContact CB-OE1 3.46Å
44V98.5Very high96.3Very high0 Ų053.2 Ų53.20%031%0.309CS..EExtended strand (participates in β ladder)trans-134.7144.2175.1-59.20000111.2A12 T13 F15 M31 T46 A55 A60 E62 V63 A64A12-V44 HydrophobicContact CB-CG1 4.24Å; T13-V44 HydrophobicContact CG2-CB 4.3Å; T13-V44 HydrophobicContact CG2-CG1 3.75Å; T13-V44 VanDerWaalsContact O-CA 3.27Å; T13-V44 WeakPolarHBondContact O-CA 3.2Å; T13-V44 WeakPolarHBondContact O-CB 3.2Å; F15-V44 HydrophobicContact CD2-CB 3.9Å; F15-V44 HydrophobicContact CD2-CG1 4.49Å; F15-V44 HydrophobicContact CD2-CG2 3.71Å; F15-V44 HydrophobicContact CE2-CB 3.99Å; F15-V44 HydrophobicContact CE2-CG1 4.1Å; F15-V44 HydrophobicContact CE2-CG2 3.81Å; M31-V44 HydrophobicContact CE-CG1 3.95Å; M31-V44 HydrophobicContact CG-CG1 3.97Å; M31-V44 HydrophobicContact SD-CG1 3.41Å; M31-V44 WeakPolarHBondContact SD-CG1 3.49Å; V44-T46 HydrophobicContact CG2-CG2 4.32Å; V44-A55 HydrophobicContact CG2-CB 3.71Å; V44-A60 HydrophobicContact CG2-CB 3.59Å; V44-E62 PolarHBondContact N-O 3.22Å; V44-V63 HydrophobicContact CG2-CG1 4.16Å; V44-V63 CarbonylContact O-C 3.57Å; V44-V63 VanDerWaalsContact O-CA 3.22Å; V44-V63 WeakPolarHBondContact O-CA 3.46Å; V44-A64 PolarHBondContact O-N 2.96Å
45L97.5Very high96.3Very high30 Ų3050.7 Ų50.716%0.15730%0.296CS..EExtended strand (participates in β ladder)trans-74.8134.5179.7-161.372.7000111T13 S14 F15 A64 F66T13-L45 PolarHBondContact O-N 3.14Å; T13-L45 VanDerWaalsContact O-N 3.1Å; S14-L45 WeakPolarHBondContact OG-CB 3.49Å; S14-L45 WeakPolarHBondContact OG-CD2 3.27Å; F15-L45 WeakPolarHBondContact CA-O 3.42Å; F15-L45 WeakPolarHBondContact CB-O 3.41Å; F15-L45 PolarHBondContact N-O 3.09Å; L45-A64 HydrophobicContact CD1-CB 3.83Å; L45-F66 HydrophobicContact CD1-CD1 3.82Å; L45-F66 HydrophobicContact CD2-CD1 3.73Å; L45-F66 HydrophobicContact CD2-CE1 3.78Å; L45-F66 HydrophobicContact CG-CD1 3.92Å; L45-F66 HydrophobicContact CG-CE1 4.25Å
46T96.1Very high96.4Very high0 Ų048.2 Ų48.20%027%0.274CS..  trans-133.589.7179.758.10000110.3F15 V44 N48 F52 A55 V63 A64F15-T46 HydrophobicContact CB-CG2 4.32Å; V44-T46 HydrophobicContact CG2-CG2 4.32Å; T46-N48 PolarHBondContact O-N 3.23Å; T46-N48 VanDerWaalsContact O-N 3.14Å; T46-F52 HydrophobicContact CG2-CB 4.32Å; T46-A55 HydrophobicContact CG2-CB 3.67Å; T46-V63 HydrophobicContact CG2-CB 3.95Å; T46-V63 HydrophobicContact CG2-CG1 3.79Å; T46-A64 PolarHBondContact N-O 3.06Å; T46-A64 PolarHBondContact OG1-O 3.08Å
47P87.8Confident96.5Very high29 Ų2951.5 Ų51.519%0.18829%0.289CS..SBendtrans-66.9-15.5-173.626.8-37.8000115.1F15 V16 F66F15-P47 WeakPolarHBondContact O-CD 3.43Å; V16-P47 HydrophobicContact CG1-CG 3.78Å; P47-F66 HydrophobicContact CB-CE1 3.8Å; P47-F66 HydrophobicContact CB-CZ 4.26Å
48N91.9Very high96.5Very high76 Ų7648.5 Ų48.541%0.40628%0.277SS..SBendtrans-159.8170.2-17557.862.5000110.8T46 K50 G51 F52T46-N48 PolarHBondContact O-N 3.23Å; T46-N48 VanDerWaalsContact O-N 3.14Å; N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.49Å; N48-K50 WeakPolarHBondContact OD1-CB 3.47Å; N48-K50 PolarHBondContact OD1-N 2.94Å; N48-K50 VanDerWaalsContact OD1-N 3.16Å; N48-G51 PolarHBondContact O-N 2.93Å; N48-G51 VanDerWaalsContact O-N 3.14Å; N48-G51 PolarHBondContact OD1-N 3.39Å; N48-F52 PolarHBondContact O-N 2.88Å
49L94.9Very high96.6Very high54 Ų5444.1 Ų44.128%0.28325%0.254SS..Hα-helixtrans-58.3-36.9-177.6-175.262.3000113.4F52 Q53 A95L49-F52 HydrophobicContact CD1-CD1 4.25Å; L49-F52 PolarHBondContact O-N 3.14Å; L49-Q53 VanDerWaalsContact O-CG 3.31Å; L49-Q53 WeakPolarHBondContact O-CG 3.22Å; L49-Q53 PolarHBondContact O-N 3.27Å; L49-A95 HydrophobicContact CD1-CB 3.64Å
50K95.4Very high96.7Very high173 Ų17340.6 Ų40.675%0.75222%0.217SC*.Hα-helixtrans-65.6-44.6177.4-177.6-178.6177.8-179.40111.4N48 Q53 A54N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.49Å; N48-K50 WeakPolarHBondContact OD1-CB 3.47Å; N48-K50 PolarHBondContact OD1-N 2.94Å; N48-K50 VanDerWaalsContact OD1-N 3.16Å; K50-Q53 PolarHBondContact O-N 2.74Å; K50-A54 WeakPolarHBondContact O-CB 3.31Å; K50-A54 PolarHBondContact O-N 3.04Å; K50-A54 VanDerWaalsContact O-N 3.08Å
51G96.2Very high96.6Very high6 Ų642.9 Ų42.96%0.06223%0.234CC..Hα-helixtrans-61.8-43.9174.600000111.6F15 N48 A54 A55F15-G51 WeakPolarHBondContact CB-O 3.31Å; N48-G51 PolarHBondContact O-N 2.93Å; N48-G51 VanDerWaalsContact O-N 3.14Å; N48-G51 PolarHBondContact OD1-N 3.39Å; G51-A54 PolarHBondContact O-N 2.93Å; G51-A55 WeakPolarHBondContact O-CB 3.27Å; G51-A55 PolarHBondContact O-N 2.86Å
52F97.8Very high96.6Very high3 Ų341.6 Ų41.61%0.01322%0.224CC..Hα-helixtrans-57.2-50.9174.9174-99.8000112.8T46 N48 L49 A54 A55 L56 V63 V92 A95 A96 A99 V101T46-F52 HydrophobicContact CG2-CB 4.32Å; N48-F52 PolarHBondContact O-N 2.88Å; L49-F52 HydrophobicContact CD1-CD1 4.25Å; L49-F52 PolarHBondContact O-N 3.14Å; F52-A54 VanDerWaalsContact C-N 3.28Å; F52-A54 PolarHBondContact O-N 3.16Å; F52-A55 WeakPolarHBondContact O-CB 3.49Å; F52-A55 PolarHBondContact O-N 2.77Å; F52-A55 VanDerWaalsContact O-N 3.13Å; F52-L56 HydrophobicContact CD1-CD1 4.29Å; F52-L56 HydrophobicContact CE1-CD1 3.45Å; F52-L56 VanDerWaalsContact CE1-CD1 3.45Å; F52-L56 HydrophobicContact CE1-CG 3.99Å; F52-L56 HydrophobicContact CE2-CD1 4.38Å; F52-L56 HydrophobicContact CE2-CD2 4.1Å; F52-L56 HydrophobicContact CE2-CG 4.19Å; F52-L56 HydrophobicContact CZ-CD1 3.5Å; F52-L56 VanDerWaalsContact CZ-CD1 3.5Å; F52-L56 HydrophobicContact CZ-CD2 3.92Å; F52-L56 HydrophobicContact CZ-CG 3.79Å; F52-L56 PolarHBondContact O-N 2.94Å; F52-V63 HydrophobicContact CD2-CB 4.46Å; F52-V63 HydrophobicContact CD2-CG1 4.03Å; F52-V63 HydrophobicContact CD2-CG2 3.97Å; F52-V63 HydrophobicContact CE2-CG1 4.14Å; F52-V63 HydrophobicContact CE2-CG2 3.97Å; F52-V92 HydrophobicContact CB-CG1 4.18Å; F52-V92 HydrophobicContact CD2-CG1 4.15Å; F52-V92 HydrophobicContact CG-CG1 4.2Å; F52-A95 HydrophobicContact CD1-CB 3.89Å; F52-A95 HydrophobicContact CE1-CB 3.57Å; F52-A95 HydrophobicContact CZ-CB 4.43Å; F52-A96 HydrophobicContact CE2-CB 3.77Å; F52-A96 VanDerWaalsContact CZ-CA 3.44Å; F52-A96 HydrophobicContact CZ-CB 3.88Å; F52-A99 HydrophobicContact CZ-CB 4.4Å; F52-V101 HydrophobicContact CE2-CG1 4.43Å
53Q97.6Very high96.6Very high95 Ų9541.1 Ų41.144%0.44422%0.222SC..Hα-helixtrans-61.5-36.4177.8-71.4173-6.500112.6L49 K50 K57L49-Q53 VanDerWaalsContact O-CG 3.31Å; L49-Q53 WeakPolarHBondContact O-CG 3.22Å; L49-Q53 PolarHBondContact O-N 3.27Å; K50-Q53 PolarHBondContact O-N 2.74Å; Q53-K57 WeakPolarHBondContact O-CG 3.28Å; Q53-K57 PolarHBondContact O-N 3.06Å; Q53-K57 VanDerWaalsContact O-N 3.16Å
54A97.6Very high96.6Very high33 Ų3341 Ų4127%0.27322%0.222SC..Hα-helixtrans-67.3-40.617500000111.8F15 K50 G51 F52 K57 A58F15-A54 HydrophobicContact CD1-CB 3.7Å; F15-A54 HydrophobicContact CE1-CB 4.13Å; K50-A54 WeakPolarHBondContact O-CB 3.31Å; K50-A54 PolarHBondContact O-N 3.04Å; K50-A54 VanDerWaalsContact O-N 3.08Å; G51-A54 PolarHBondContact O-N 2.93Å; F52-A54 VanDerWaalsContact C-N 3.28Å; F52-A54 PolarHBondContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.06Å; A54-A58 PolarHBondContact O-N 3.15Å
55A98.2Very high96.5Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-59.8-46.2175.200000111.8F15 V44 T46 G51 F52 K57 A58 G59 A60 V63F15-A55 HydrophobicContact CB-CB 4.45Å; F15-A55 HydrophobicContact CD1-CB 4.12Å; F15-A55 HydrophobicContact CD2-CB 3.6Å; F15-A55 HydrophobicContact CE1-CB 4.31Å; F15-A55 HydrophobicContact CE2-CB 3.82Å; F15-A55 HydrophobicContact CG-CB 3.78Å; F15-A55 HydrophobicContact CZ-CB 4.19Å; V44-A55 HydrophobicContact CG2-CB 3.71Å; T46-A55 HydrophobicContact CG2-CB 3.67Å; G51-A55 WeakPolarHBondContact O-CB 3.27Å; G51-A55 PolarHBondContact O-N 2.86Å; F52-A55 WeakPolarHBondContact O-CB 3.49Å; F52-A55 PolarHBondContact O-N 2.77Å; F52-A55 VanDerWaalsContact O-N 3.13Å; A55-K57 PolarHBondContact O-N 3.42Å; A55-A58 CarbonylContact O-C 3.59Å; A55-A58 WeakPolarHBondContact O-CA 3.45Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.09Å; A55-G59 PolarHBondContact O-N 3.46Å; A55-G59 VanDerWaalsContact O-N 3.14Å; A55-A60 HydrophobicContact CB-CB 3.91Å; A55-A60 VanDerWaalsContact O-CB 3.31Å; A55-A60 WeakPolarHBondContact O-CB 3.44Å; A55-A60 PolarHBondContact O-N 2.93Å; A55-V63 HydrophobicContact CB-CG1 4.42Å
56L97.7Very high96.4Very high56 Ų5642 Ų4229%0.29323%0.225SC..Hα-helixtrans-59.5-45175.6-67.3-170.3000112.2F52 A58 G59 A99 V101F52-L56 HydrophobicContact CD1-CD1 4.29Å; F52-L56 HydrophobicContact CE1-CD1 3.45Å; F52-L56 VanDerWaalsContact CE1-CD1 3.45Å; F52-L56 HydrophobicContact CE1-CG 3.99Å; F52-L56 HydrophobicContact CE2-CD1 4.38Å; F52-L56 HydrophobicContact CE2-CD2 4.1Å; F52-L56 HydrophobicContact CE2-CG 4.19Å; F52-L56 HydrophobicContact CZ-CD1 3.5Å; F52-L56 VanDerWaalsContact CZ-CD1 3.5Å; F52-L56 HydrophobicContact CZ-CD2 3.92Å; F52-L56 HydrophobicContact CZ-CG 3.79Å; F52-L56 PolarHBondContact O-N 2.94Å; L56-A58 PolarHBondContact O-N 2.94Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.32Å; L56-A99 HydrophobicContact CD1-CB 3.96Å; L56-V101 HydrophobicContact CD2-CB 4.49Å; L56-V101 HydrophobicContact CD2-CG2 3.66Å
57K97.7Very high96.3Very high175 Ų17542.2 Ų42.276%0.76123%0.226SC*.Hα-helixtrans-63.8-26.1176.7-71.7174.7-176.3179.70113Q53 A54 A55 G59Q53-K57 WeakPolarHBondContact O-CG 3.28Å; Q53-K57 PolarHBondContact O-N 3.06Å; Q53-K57 VanDerWaalsContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.06Å; A55-K57 PolarHBondContact O-N 3.42Å; K57-G59 VanDerWaalsContact C-N 3.28Å
58A97.7Very high96.7Very high7 Ų741 Ų416%0.05822%0.219CC..THydrogen-bonded Turntrans-84.6-2.4173.100000113F15 M31 A54 A55 L56F15-A58 HydrophobicContact CE1-CB 4Å; F15-A58 HydrophobicContact CZ-CB 3.59Å; M31-A58 HydrophobicContact CB-CB 3.97Å; A54-A58 PolarHBondContact O-N 3.15Å; A55-A58 CarbonylContact O-C 3.59Å; A55-A58 WeakPolarHBondContact O-CA 3.45Å; A55-A58 PolarHBondContact O-N 3.44Å; A55-A58 VanDerWaalsContact O-N 3.09Å; L56-A58 PolarHBondContact O-N 2.94Å
59G96.6Very high97Very high32 Ų3237.6 Ų37.633%0.3320%0.201SC..THydrogen-bonded Turntrans85.125177.200000114.2K36 A55 L56 K57K36-G59 PolarHBondContact NZ-O 3.13Å; A55-G59 PolarHBondContact O-N 3.46Å; A55-G59 VanDerWaalsContact O-N 3.14Å; L56-G59 WeakPolarHBondContact O-CA 3.39Å; L56-G59 PolarHBondContact O-N 3.32Å; K57-G59 VanDerWaalsContact C-N 3.28Å
60A97.7Very high97.1Very high7 Ų735 Ų356%0.05819%0.188CC..  trans-63.3133.916800000110.3M31 V44 A55 V63M31-A60 HydrophobicContact CE-CB 4.16Å; V44-A60 HydrophobicContact CG2-CB 3.59Å; A55-A60 HydrophobicContact CB-CB 3.91Å; A55-A60 VanDerWaalsContact O-CB 3.31Å; A55-A60 WeakPolarHBondContact O-CB 3.44Å; A55-A60 PolarHBondContact O-N 2.93Å; A60-V63 HydrophobicContact CB-CG1 4.49Å
61S96.9Very high97.2Very high74 Ų7430.8 Ų30.852%0.51717%0.171SC..SBendtrans-109.6-2.2178.156.60000112.9P102S61-P102 WeakPolarHBondContact O-CD 3.46Å
62E98.3Very high97.1Very high12 Ų1234.1 Ų34.16%0.05619%0.187CC..SBendtrans-154.4141.1179.4-174.3-180133.600107.1S41 P43 V44 P102 Y137S41-E62 VanDerWaalsContact CB-OE2 3.29Å; S41-E62 WeakPolarHBondContact CB-OE2 3.33Å; S41-E62 PolarHBondContact OG-OE2 3.44Å; P43-E62 WeakPolarHBondContact CA-O 3.35Å; P43-E62 HydrophobicContact CB-CB 4.29Å; P43-E62 HydrophobicContact CB-CG 3.98Å; P43-E62 WeakPolarHBondContact CB-OE1 3.46Å; V44-E62 PolarHBondContact N-O 3.22Å; E62-P102 HydrophobicContact CB-CG 4.15Å; E62-P102 HydrophobicContact CG-CB 4.49Å; E62-P102 HydrophobicContact CG-CG 4.01Å; E62-Y137 PolarHBondContact OE1-OH 2.84Å; E62-Y137 VanDerWaalsContact OE1-OH 3.06Å
63V98.5Very high97Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-132.7162.5-179-59.90000111.4V44 T46 F52 A55 A60 V101 P102 V103 R104V44-V63 HydrophobicContact CG2-CG1 4.16Å; V44-V63 CarbonylContact O-C 3.57Å; V44-V63 VanDerWaalsContact O-CA 3.22Å; V44-V63 WeakPolarHBondContact O-CA 3.46Å; T46-V63 HydrophobicContact CG2-CB 3.95Å; T46-V63 HydrophobicContact CG2-CG1 3.79Å; F52-V63 HydrophobicContact CD2-CB 4.46Å; F52-V63 HydrophobicContact CD2-CG1 4.03Å; F52-V63 HydrophobicContact CD2-CG2 3.97Å; F52-V63 HydrophobicContact CE2-CG1 4.14Å; F52-V63 HydrophobicContact CE2-CG2 3.97Å; A55-V63 HydrophobicContact CB-CG1 4.42Å; A60-V63 HydrophobicContact CB-CG1 4.49Å; V63-V101 HydrophobicContact CG1-CG1 4.13Å; V63-V101 HydrophobicContact CG2-CG1 4.15Å; V63-P102 PolarHBondContact N-O 2.86Å; V63-P102 VanDerWaalsContact N-O 3.09Å; V63-V103 HydrophobicContact CG2-CB 4.35Å; V63-V103 HydrophobicContact CG2-CG1 4.23Å; V63-V103 HydrophobicContact CG2-CG2 3.8Å; V63-V103 CarbonylContact O-C 3.5Å; V63-V103 VanDerWaalsContact O-CA 3.31Å; V63-V103 WeakPolarHBondContact O-CA 3.49Å; V63-R104 PolarHBondContact O-N 3.09Å
64A98.3Very high96.8Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-126.5142.8175.900000112.4V44 L45 T46 R104 Y106V44-A64 PolarHBondContact O-N 2.96Å; L45-A64 HydrophobicContact CD1-CB 3.83Å; T46-A64 PolarHBondContact N-O 3.06Å; T46-A64 PolarHBondContact OG1-O 3.08Å; A64-R104 CarbonylContact C-O 3.51Å; A64-R104 VanDerWaalsContact CA-O 3.23Å; A64-R104 WeakPolarHBondContact CA-O 3.47Å; A64-R104 HydrophobicContact CB-CB 4.29Å; A64-Y106 HydrophobicContact CB-CD2 3.99Å; A64-Y106 HydrophobicContact CB-CE2 3.67Å
65I97.1Very high96.6Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-117.2154.7169.558173000109.6F89 V92 M93 V103 R104 G105 Y106 L131I65-F89 HydrophobicContact CB-CD1 3.9Å; I65-F89 HydrophobicContact CB-CE1 4.01Å; I65-F89 HydrophobicContact CB-CG 4.24Å; I65-F89 HydrophobicContact CB-CZ 4.42Å; I65-F89 HydrophobicContact CD1-CB 3.74Å; I65-F89 HydrophobicContact CD1-CD1 4.2Å; I65-F89 HydrophobicContact CD1-CD2 3.94Å; I65-F89 HydrophobicContact CD1-CG 3.7Å; I65-F89 HydrophobicContact CG1-CG 4.49Å; I65-F89 HydrophobicContact CG2-CD1 3.93Å; I65-F89 HydrophobicContact CG2-CE1 4.31Å; I65-F89 HydrophobicContact CG2-CG 4.49Å; I65-V92 HydrophobicContact CG2-CG1 3.95Å; I65-M93 HydrophobicContact CD1-CG 4.39Å; I65-M93 HydrophobicContact CD1-SD 3.86Å; I65-V103 HydrophobicContact CD1-CG1 4.2Å; I65-V103 HydrophobicContact CG1-CG1 3.87Å; I65-V103 HydrophobicContact CG2-CG1 4.21Å; I65-R104 PolarHBondContact N-O 3.46Å; I65-G105 CarbonylContact O-C 3.59Å; I65-Y106 PolarHBondContact O-N 3.15Å; I65-L131 HydrophobicContact CD1-CD2 3.8Å; I65-L131 HydrophobicContact CG1-CD2 4.33Å
66F93.8Very high96.2Very high51 Ų5141 Ų4122%0.22421%0.209CC..EExtended strand (participates in β ladder)trans-132.2121.2-176.966.4-88000112.4L45 P47 I78 F89L45-F66 HydrophobicContact CD1-CD1 3.82Å; L45-F66 HydrophobicContact CD2-CD1 3.73Å; L45-F66 HydrophobicContact CD2-CE1 3.78Å; L45-F66 HydrophobicContact CG-CD1 3.92Å; L45-F66 HydrophobicContact CG-CE1 4.25Å; P47-F66 HydrophobicContact CB-CE1 3.8Å; P47-F66 HydrophobicContact CB-CZ 4.26Å; F66-I78 HydrophobicContact CE2-CG2 4.01Å; F66-I78 HydrophobicContact CZ-CG2 4.23Å; F66-F89 WeakPolarHBondContact O-CZ 3.09Å
67G94.4Very high95.6Very high3 Ų341.8 Ų41.83%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-103.1-177166.700000111.9Y106 S108G67-Y106 PolarHBondContact N-O 3.41Å; G67-S108 PolarHBondContact O-N 3.33Å
68A96.7Very high95Very high4 Ų435.9 Ų35.93%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-139.4150173.400000110.5S70 F73 V82A68-S70 PolarHBondContact O-N 2.9Å; A68-F73 HydrophobicContact CB-CB 4.48Å; A68-F73 HydrophobicContact CB-CD1 3.62Å; A68-F73 HydrophobicContact CB-CE1 4.34Å; A68-F73 HydrophobicContact CB-CG 4.46Å; A68-V82 WeakPolarHBondContact O-CG1 3.38Å; A68-V82 WeakPolarHBondContact O-CG2 3.44Å
69A97.3Very high94.6Very high5 Ų541.7 Ų41.74%0.04122%0.22CC..SBendtrans-85.15.7174.200000113.5V107 S108 V119 V124A69-V107 HydrophobicContact CB-CG1 4.07Å; A69-S108 PolarHBondContact N-O 3.38Å; A69-V119 HydrophobicContact CB-CG1 3.74Å; A69-V124 HydrophobicContact CB-CB 4.45Å; A69-V124 HydrophobicContact CB-CG2 3.82Å
70S97.5Very high94.4Very high0 Ų040.4 Ų40.40%021%0.206CC..  trans-127.6132.2-176.1173.70000111.8A68 F73 S74 C113 E116A68-S70 PolarHBondContact O-N 2.9Å; S70-F73 PolarHBondContact O-N 3.42Å; S70-F73 PolarHBondContact OG-N 3.47Å; S70-S74 PolarHBondContact O-N 3.41Å; S70-C113 PolarHBondContact OG-SG 2.81Å; S70-E116 WeakPolarHBondContact CA-OE2 3.34Å; S70-E116 WeakPolarHBondContact CB-OE2 3.42Å; S70-E116 PolarHBondContact OG-OE1 2.79Å; S70-E116 PolarHBondContact OG-OE2 2.74Å
71E96.9Very high94.3Very high83 Ų8341.7 Ų41.739%0.38821%0.214SC..Hα-helixtrans-70.9-45.5-177.5-70.8-67.1175.300111.6F73 S74 K75 S81 V82 E116E71-F73 VanDerWaalsContact C-N 3.28Å; E71-F73 PolarHBondContact O-N 3.08Å; E71-S74 PolarHBondContact O-N 2.76Å; E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.49Å; E71-K75 PolarHBondContact O-N 3.07Å; E71-S81 VanDerWaalsContact OE2-CA 3.27Å; E71-S81 WeakPolarHBondContact OE2-CA 3.44Å; E71-S81 WeakPolarHBondContact OE2-CB 3.42Å; E71-V82 HydrophobicContact CG-CG2 4.39Å; E71-V82 PolarHBondContact OE2-N 2.85Å; E71-E116 PolarHBondContact N-OE1 3.14Å; E71-E116 VanDerWaalsContact N-OE1 3.13Å
72L95.6Very high94.3Very high76 Ų7638.6 Ų38.640%0.39819%0.192SC..Hα-helixtrans-64.5-34.8176.7-67.1-174.3000111.8K76 Y115 E116L72-K76 WeakPolarHBondContact O-CB 3.23Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.27Å; L72-Y115 HydrophobicContact CB-CD2 4.38Å; L72-Y115 HydrophobicContact CB-CG 4.46Å; L72-E116 HydrophobicContact CB-CG 3.88Å; L72-E116 HydrophobicContact CD1-CG 3.66Å; L72-E116 HydrophobicContact CG-CG 3.75Å; L72-E116 WeakPolarHBondContact CG-OE1 3.27Å; L72-E116 PolarHBondContact N-OE1 3.23Å
73F94.6Very high94.2Very high10 Ų1041 Ų414%0.04420%0.204CC..Hα-helixtrans-66.9-48.5175.2-168.1-90.2000111.2A68 S70 E71 K75 K76 N77 C109 P114 Y115 T144 Y207A68-F73 HydrophobicContact CB-CB 4.48Å; A68-F73 HydrophobicContact CB-CD1 3.62Å; A68-F73 HydrophobicContact CB-CE1 4.34Å; A68-F73 HydrophobicContact CB-CG 4.46Å; S70-F73 PolarHBondContact O-N 3.42Å; S70-F73 PolarHBondContact OG-N 3.47Å; E71-F73 VanDerWaalsContact C-N 3.28Å; E71-F73 PolarHBondContact O-N 3.08Å; F73-K75 PolarHBondContact O-N 3.27Å; F73-K76 PolarHBondContact O-N 3.22Å; F73-N77 WeakPolarHBondContact CE1-ND2 3.45Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.13Å; F73-N77 WeakPolarHBondContact O-CB 3.4Å; F73-N77 PolarHBondContact O-N 3.03Å; F73-N77 PolarHBondContact O-OD1 3.36Å; F73-C109 WeakPolarHBondContact CD2-SG 3.36Å; F73-C109 VanDerWaalsContact CG-SG 3.54Å; F73-P114 HydrophobicContact CD2-CG 4.06Å; F73-P114 HydrophobicContact CE2-CG 4.25Å; F73-Y115 HydrophobicContact CB-CD2 4.28Å; F73-Y115 HydrophobicContact CD2-CD2 4.2Å; F73-Y115 AromaticContact CD2-CE2 3.85Å; F73-Y115 HydrophobicContact CD2-CE2 3.85Å; F73-T144 HydrophobicContact CZ-CG2 4.1Å; F73-Y207 AromaticContact CE2-CE2 3.81Å; F73-Y207 HydrophobicContact CE2-CE2 3.81Å; F73-Y207 AromaticContact CE2-CZ 3.88Å; F73-Y207 WeakPolarHBondContact CE2-OH 3.32Å; F73-Y207 HydrophobicContact CZ-CE2 4.46Å
74S93.9Very high94Very high3 Ų345.4 Ų45.42%0.02122%0.224CC..Hα-helixtrans-56.8-48.8174.8-175.80000111.3S70 E71 K76 N77 I78 N79 C80 S81S70-S74 PolarHBondContact O-N 3.41Å; E71-S74 PolarHBondContact O-N 2.76Å; S74-K76 PolarHBondContact O-N 3.31Å; S74-N77 PolarHBondContact O-N 2.97Å; S74-I78 WeakPolarHBondContact O-CG1 3.38Å; S74-I78 PolarHBondContact O-N 3.08Å; S74-N79 PolarHBondContact O-N 2.88Å; S74-C80 CarbonylContact C-O 3.56Å; S74-C80 WeakPolarHBondContact CB-O 3.3Å; S74-C80 PolarHBondContact OG-O 3.22Å; S74-S81 PolarHBondContact OG-O 3.26Å
75K92.8Very high93.8Very high132 Ų13245.4 Ų45.457%0.57423%0.225SC*.Hα-helixtrans-62.6-39.3-179.6-169171.3-174.6173.40112.5E71 F73 N79 C80E71-K75 VanDerWaalsContact O-CB 3.31Å; E71-K75 WeakPolarHBondContact O-CB 3.49Å; E71-K75 PolarHBondContact O-N 3.07Å; F73-K75 PolarHBondContact O-N 3.27Å; K75-N79 WeakPolarHBondContact O-CA 3.41Å; K75-N79 PolarHBondContact O-N 2.85Å; K75-N79 VanDerWaalsContact O-N 3.07Å; K75-C80 WeakPolarHBondContact CA-O 3.4Å; K75-C80 PolarHBondContact N-O 2.77Å
76K89.5Confident93.7Very high130 Ų13045.4 Ų45.457%0.56523%0.225SC*.Hα-helixtrans-74.9-31.6178.5-76.5-176.8174.5-172.60113.4L72 F73 S74 Y115L72-K76 WeakPolarHBondContact O-CB 3.23Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.27Å; F73-K76 PolarHBondContact O-N 3.22Å; S74-K76 PolarHBondContact O-N 3.31Å; K76-Y115 HydrophobicContact CB-CE2 4.09Å; K76-Y115 HydrophobicContact CD-CD1 3.92Å; K76-Y115 HydrophobicContact CD-CD2 3.85Å; K76-Y115 HydrophobicContact CD-CE1 3.58Å; K76-Y115 HydrophobicContact CD-CE2 3.5Å; K76-Y115 VanDerWaalsContact CD-CE2 3.5Å; K76-Y115 HydrophobicContact CD-CG 4.02Å; K76-Y115 HydrophobicContact CG-CE2 4.35Å
77N85.4Confident93.7Very high74 Ų7447.9 Ų47.940%0.39624%0.237SC..Hα-helixtrans-91-36.1-174.9-71.929.1000113.1F73 S74 Y207F73-N77 WeakPolarHBondContact CE1-ND2 3.45Å; F73-N77 WeakPolarHBondContact CZ-ND2 3.13Å; F73-N77 WeakPolarHBondContact O-CB 3.4Å; F73-N77 PolarHBondContact O-N 3.03Å; F73-N77 PolarHBondContact O-OD1 3.36Å; S74-N77 PolarHBondContact O-N 2.97Å; N77-Y207 PolarHBondContact OD1-OH 3.18Å
78I85.8Confident93.6Very high51 Ų5154 Ų5426%0.26226%0.259SS..Hα-helixtrans-133.47.4-17458.8170.7000114.1F66 S74 C80 S85 R88F66-I78 HydrophobicContact CE2-CG2 4.01Å; F66-I78 HydrophobicContact CZ-CG2 4.23Å; S74-I78 WeakPolarHBondContact O-CG1 3.38Å; S74-I78 PolarHBondContact O-N 3.08Å; I78-C80 VanDerWaalsContact C-N 3.29Å; I78-C80 VanDerWaalsContact CD1-SG 3.57Å; I78-C80 PolarHBondContact O-N 3.31Å; I78-S85 VanDerWaalsContact CD1-CB 3.42Å; I78-R88 PolarHBondContact O-NH1 2.8Å
79N89.2Confident93.5Very high129 Ų12954.2 Ų54.269%0.6926%0.259SS*.SBendtrans53.840.2173.7-162.844.2000114.2S74 K75S74-N79 PolarHBondContact O-N 2.88Å; K75-N79 WeakPolarHBondContact O-CA 3.41Å; K75-N79 PolarHBondContact O-N 2.85Å; K75-N79 VanDerWaalsContact O-N 3.07Å
80C91.4Very high93.4Very high4 Ų458.8 Ų58.83%0.02728%0.28CS..SBendtrans-151165.1172.9690000110.7S74 K75 I78 E84 R88S74-C80 CarbonylContact C-O 3.56Å; S74-C80 WeakPolarHBondContact CB-O 3.3Å; S74-C80 PolarHBondContact OG-O 3.22Å; K75-C80 WeakPolarHBondContact CA-O 3.4Å; K75-C80 PolarHBondContact N-O 2.77Å; I78-C80 VanDerWaalsContact C-N 3.29Å; I78-C80 VanDerWaalsContact CD1-SG 3.57Å; I78-C80 PolarHBondContact O-N 3.31Å; C80-E84 VanDerWaalsContact CA-OE2 3.28Å; C80-E84 WeakPolarHBondContact CA-OE2 3.46Å; C80-E84 HydrophobicContact CB-CB 3.79Å; C80-E84 WeakPolarHBondContact CB-OE2 3.45Å; C80-R88 PolarHBondContact SG-NH1 2.82Å
81S96.9Very high93.3Very high34 Ų3464.6 Ų64.624%0.23831%0.307CS..  trans-66.8167.3171.270.90000111.6E71 S74 E83 E84 S85E71-S81 VanDerWaalsContact OE2-CA 3.27Å; E71-S81 WeakPolarHBondContact OE2-CA 3.44Å; E71-S81 WeakPolarHBondContact OE2-CB 3.42Å; S74-S81 PolarHBondContact OG-O 3.26Å; S81-E83 VanDerWaalsContact C-N 3.32Å; S81-E84 PolarHBondContact N-OE2 3.42Å; S81-E84 PolarHBondContact O-N 3.45Å; S81-E84 WeakPolarHBondContact OG-CB 3.32Å; S81-E84 WeakPolarHBondContact OG-CG 3.26Å; S81-E84 PolarHBondContact OG-N 3.27Å; S81-E84 VanDerWaalsContact OG-N 3.09Å; S81-E84 PolarHBondContact OG-OE2 2.88Å; S81-S85 PolarHBondContact O-N 2.92Å
82V95.7Very high93.2Very high9 Ų960.7 Ų60.76%0.05529%0.288CS..Hα-helixtrans-59.6-45.2173.7174.20000110.4A68 E71 S85 L86 V127A68-V82 WeakPolarHBondContact O-CG1 3.38Å; A68-V82 WeakPolarHBondContact O-CG2 3.44Å; E71-V82 HydrophobicContact CG-CG2 4.39Å; E71-V82 PolarHBondContact OE2-N 2.85Å; V82-S85 WeakPolarHBondContact O-CB 3.46Å; V82-S85 PolarHBondContact O-N 3.49Å; V82-S85 PolarHBondContact O-OG 3.07Å; V82-L86 HydrophobicContact CG1-CD1 4.21Å; V82-L86 WeakPolarHBondContact O-CG 3.45Å; V82-L86 PolarHBondContact O-N 3.45Å; V82-V127 HydrophobicContact CG1-CG2 3.67Å
83E96.3Very high93.3Very high62 Ų6257.9 Ų57.929%0.2927%0.273SS..Hα-helixtrans-65.6-42.1-179.7-170.761.3-154.400112.2S81 S85 L86 Q87 H126 R130S81-E83 VanDerWaalsContact C-N 3.32Å; E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 3.04Å; E83-L86 PolarHBondContact O-N 2.94Å; E83-Q87 WeakPolarHBondContact O-CG 3.23Å; E83-Q87 PolarHBondContact O-N 3.1Å; E83-H126 IonicContact OE2-CE1 2.82Å; E83-R130 VanDerWaalsContact CD-NH1 3.35Å; E83-R130 IonicContact OE1-CZ 3.55Å; E83-R130 VanDerWaalsContact OE1-CZ 3.25Å; E83-R130 IonicContact OE1-NH1 3.92Å; E83-R130 PolarHBondContact OE1-NH1 3.02Å; E83-R130 IonicContact OE1-NH2 3.25Å; E83-R130 PolarHBondContact OE1-NH2 3.45Å; E83-R130 IonicContact OE2-CZ 2.77Å; E83-R130 IonicContact OE2-NH1 2.8Å; E83-R130 PolarHBondContact OE2-NH1 3.43Å; E83-R130 VanDerWaalsContact OE2-NH1 3.08Å
84E94.7Very high93.5Very high93 Ų9364 Ų6444%0.43530%0.3SS..Hα-helixtrans-61.6-35.6174.5-73.2168169.400111.6C80 S81 R88C80-E84 VanDerWaalsContact CA-OE2 3.28Å; C80-E84 WeakPolarHBondContact CA-OE2 3.46Å; C80-E84 HydrophobicContact CB-CB 3.79Å; C80-E84 WeakPolarHBondContact CB-OE2 3.45Å; S81-E84 PolarHBondContact N-OE2 3.42Å; S81-E84 PolarHBondContact O-N 3.45Å; S81-E84 WeakPolarHBondContact OG-CB 3.32Å; S81-E84 WeakPolarHBondContact OG-CG 3.26Å; S81-E84 PolarHBondContact OG-N 3.27Å; S81-E84 VanDerWaalsContact OG-N 3.09Å; S81-E84 PolarHBondContact OG-OE2 2.88Å; E84-R88 VanDerWaalsContact O-CG 3.3Å; E84-R88 WeakPolarHBondContact O-CG 3.07Å; E84-R88 PolarHBondContact O-N 3.44Å; E84-R88 VanDerWaalsContact O-N 3.07Å
85S93.9Very high93.6Very high1 Ų164.7 Ų64.71%0.00731%0.306CS..Hα-helixtrans-65.8-41.7175.680.70000112I78 S81 V82 E83 R88 F89I78-S85 VanDerWaalsContact CD1-CB 3.42Å; S81-S85 PolarHBondContact O-N 2.92Å; V82-S85 WeakPolarHBondContact O-CB 3.46Å; V82-S85 PolarHBondContact O-N 3.49Å; V82-S85 PolarHBondContact O-OG 3.07Å; E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 3.04Å; S85-R88 WeakPolarHBondContact O-CB 3.46Å; S85-R88 PolarHBondContact O-N 3.08Å; S85-F89 VanDerWaalsContact O-CD2 3.24Å; S85-F89 WeakPolarHBondContact O-CD2 3.46Å; S85-F89 WeakPolarHBondContact O-CE2 3.45Å; S85-F89 WeakPolarHBondContact O-CG 3.24Å; S85-F89 PolarHBondContact O-N 3.08Å
86L95.1Very high93.9Very high0 Ų058.5 Ų58.50%028%0.279CS..Hα-helixtrans-64.8-42177.6-67.2168.9000111V82 E83 R88 F89 E90 V127 R130 L131 M134V82-L86 HydrophobicContact CG1-CD1 4.21Å; V82-L86 WeakPolarHBondContact O-CG 3.45Å; V82-L86 PolarHBondContact O-N 3.45Å; E83-L86 PolarHBondContact O-N 2.94Å; L86-R88 VanDerWaalsContact C-N 3.34Å; L86-R88 PolarHBondContact O-N 3.37Å; L86-F89 HydrophobicContact CD2-CD2 4.41Å; L86-F89 WeakPolarHBondContact O-CB 3.48Å; L86-F89 PolarHBondContact O-N 2.97Å; L86-F89 VanDerWaalsContact O-N 3.08Å; L86-E90 PolarHBondContact O-N 3.13Å; L86-V127 HydrophobicContact CD2-CG1 4.32Å; L86-R130 HydrophobicContact CD1-CB 3.96Å; L86-R130 HydrophobicContact CD1-CG 4.21Å; L86-R130 HydrophobicContact CD2-CB 4.34Å; L86-L131 HydrophobicContact CD2-CD2 3.87Å; L86-L131 HydrophobicContact CD2-CG 4.07Å; L86-M134 HydrophobicContact CB-CE 4.22Å; L86-M134 HydrophobicContact CD2-CE 3.7Å
87Q94.1Very high94.3Very high102 Ų10261 Ų6148%0.47729%0.29SS..Hα-helixtrans-60.4-41.5174.5-71.5172.9-1.400112.2E83 F89 E90E83-Q87 WeakPolarHBondContact O-CG 3.23Å; E83-Q87 PolarHBondContact O-N 3.1Å; Q87-F89 PolarHBondContact O-N 3.22Å; Q87-E90 WeakPolarHBondContact O-CB 3.4Å; Q87-E90 PolarHBondContact O-N 2.98Å; Q87-E90 VanDerWaalsContact O-N 3.08Å
88R92.1Very high94.9Very high133 Ų13364.4 Ų64.450%0.50230%0.304SS..Hα-helixtrans-62-28.3175.7-72.2170.5-178.8-178.63.7112.6I78 C80 E84 S85 L86 E90I78-R88 PolarHBondContact O-NH1 2.8Å; C80-R88 PolarHBondContact SG-NH1 2.82Å; E84-R88 VanDerWaalsContact O-CG 3.3Å; E84-R88 WeakPolarHBondContact O-CG 3.07Å; E84-R88 PolarHBondContact O-N 3.44Å; E84-R88 VanDerWaalsContact O-N 3.07Å; S85-R88 WeakPolarHBondContact O-CB 3.46Å; S85-R88 PolarHBondContact O-N 3.08Å; L86-R88 VanDerWaalsContact C-N 3.34Å; L86-R88 PolarHBondContact O-N 3.37Å; R88-E90 VanDerWaalsContact C-N 3.32Å
89F94.9Very high95.4Very high7 Ų764.2 Ų64.23%0.03131%0.31CS..Hα-helixtrans-73.3-22.2176.1-61.6-40000113.2I65 F66 S85 L86 Q87 E91 V92 M93 L131I65-F89 HydrophobicContact CB-CD1 3.9Å; I65-F89 HydrophobicContact CB-CE1 4.01Å; I65-F89 HydrophobicContact CB-CG 4.24Å; I65-F89 HydrophobicContact CB-CZ 4.42Å; I65-F89 HydrophobicContact CD1-CB 3.74Å; I65-F89 HydrophobicContact CD1-CD1 4.2Å; I65-F89 HydrophobicContact CD1-CD2 3.94Å; I65-F89 HydrophobicContact CD1-CG 3.7Å; I65-F89 HydrophobicContact CG1-CG 4.49Å; I65-F89 HydrophobicContact CG2-CD1 3.93Å; I65-F89 HydrophobicContact CG2-CE1 4.31Å; I65-F89 HydrophobicContact CG2-CG 4.49Å; F66-F89 WeakPolarHBondContact O-CZ 3.09Å; S85-F89 VanDerWaalsContact O-CD2 3.24Å; S85-F89 WeakPolarHBondContact O-CD2 3.46Å; S85-F89 WeakPolarHBondContact O-CE2 3.45Å; S85-F89 WeakPolarHBondContact O-CG 3.24Å; S85-F89 PolarHBondContact O-N 3.08Å; L86-F89 HydrophobicContact CD2-CD2 4.41Å; L86-F89 WeakPolarHBondContact O-CB 3.48Å; L86-F89 PolarHBondContact O-N 2.97Å; L86-F89 VanDerWaalsContact O-N 3.08Å; Q87-F89 PolarHBondContact O-N 3.22Å; F89-E91 PolarHBondContact O-N 3.19Å; F89-V92 CarbonylContact O-C 3.47Å; F89-V92 PolarHBondContact O-N 3.05Å; F89-M93 WeakPolarHBondContact O-CB 3.3Å; F89-M93 VanDerWaalsContact O-CG 3.27Å; F89-M93 WeakPolarHBondContact O-CG 3.48Å; F89-M93 PolarHBondContact O-N 3.35Å; F89-L131 HydrophobicContact CD2-CD2 4.21Å
90E94.9Very high95.8Very high102 Ų10262.4 Ų62.448%0.47731%0.313SS..Hα-helixtrans-57.2-38179.1-64.5-177.6-176.300112.2L86 Q87 R88 M93 K94 M134L86-E90 PolarHBondContact O-N 3.13Å; Q87-E90 WeakPolarHBondContact O-CB 3.4Å; Q87-E90 PolarHBondContact O-N 2.98Å; Q87-E90 VanDerWaalsContact O-N 3.08Å; R88-E90 VanDerWaalsContact C-N 3.32Å; E90-M93 PolarHBondContact O-N 3.18Å; E90-K94 VanDerWaalsContact O-CB 3.3Å; E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 PolarHBondContact O-N 3Å; E90-M134 HydrophobicContact CG-SD 3.97Å
91E94.7Very high96.2Very high122 Ų12263.1 Ų63.157%0.5732%0.317SS*.Hα-helixtrans-65-41.8175.4-65-172.9166.800112.3F89 A95F89-E91 PolarHBondContact O-N 3.19Å; E91-A95 WeakPolarHBondContact O-CB 3.24Å; E91-A95 PolarHBondContact O-N 2.97Å
92V96.3Very high96.2Very high0 Ų064.1 Ų64.10%032%0.323CS..Hα-helixtrans-66.7-45.1177178.90000110.1F52 I65 F89 K94 A95 A96F52-V92 HydrophobicContact CB-CG1 4.18Å; F52-V92 HydrophobicContact CD2-CG1 4.15Å; F52-V92 HydrophobicContact CG-CG1 4.2Å; I65-V92 HydrophobicContact CG2-CG1 3.95Å; F89-V92 CarbonylContact O-C 3.47Å; F89-V92 PolarHBondContact O-N 3.05Å; V92-K94 PolarHBondContact O-N 3.17Å; V92-A95 PolarHBondContact O-N 3.09Å; V92-A96 VanDerWaalsContact O-CB 3.24Å; V92-A96 WeakPolarHBondContact O-CB 3.44Å; V92-A96 PolarHBondContact O-N 3.41Å
93M97.7Very high96.4Very high17 Ų1763.9 Ų63.98%0.08432%0.321CS..Hα-helixtrans-62.6-41.9179-68.1-54.6-62.600111.7I65 F89 E90 A96 K97 V103 M134I65-M93 HydrophobicContact CD1-CG 4.39Å; I65-M93 HydrophobicContact CD1-SD 3.86Å; F89-M93 WeakPolarHBondContact O-CB 3.3Å; F89-M93 VanDerWaalsContact O-CG 3.27Å; F89-M93 WeakPolarHBondContact O-CG 3.48Å; F89-M93 PolarHBondContact O-N 3.35Å; E90-M93 PolarHBondContact O-N 3.18Å; M93-A96 PolarHBondContact O-N 3.41Å; M93-K97 VanDerWaalsContact O-CB 3.32Å; M93-K97 WeakPolarHBondContact O-CB 3.26Å; M93-K97 PolarHBondContact O-N 3.45Å; M93-V103 HydrophobicContact CE-CB 4Å; M93-V103 HydrophobicContact CE-CG1 4.46Å; M93-V103 HydrophobicContact CE-CG2 4.11Å; M93-V103 HydrophobicContact SD-CB 3.76Å; M93-V103 HydrophobicContact SD-CG1 3.64Å; M93-V103 HydrophobicContact SD-CG2 3.8Å; M93-M134 VanDerWaalsContact CE-O 3.31Å; M93-M134 WeakPolarHBondContact CE-O 3.47Å; M93-M134 HydrophobicContact CG-CB 4.23Å
94K97.5Very high96.5Very high138 Ų13861.5 Ų61.560%0.631%0.31SS*.Hα-helixtrans-61.2-50.3174.5-178.1179.8174.2-175.60111.2E90 V92 A96 K97 E98E90-K94 VanDerWaalsContact O-CB 3.3Å; E90-K94 WeakPolarHBondContact O-CB 3.38Å; E90-K94 PolarHBondContact O-N 3Å; V92-K94 PolarHBondContact O-N 3.17Å; K94-A96 VanDerWaalsContact C-N 3.35Å; K94-A96 PolarHBondContact O-N 3.19Å; K94-K97 PolarHBondContact O-N 3.08Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 2.98Å
95A97.6Very high96.7Very high19 Ų1957.1 Ų57.116%0.15729%0.289CS..Hα-helixtrans-64.4-38.6179.800000112.4L49 F52 E91 V92 E98 A99L49-A95 HydrophobicContact CD1-CB 3.64Å; F52-A95 HydrophobicContact CD1-CB 3.89Å; F52-A95 HydrophobicContact CE1-CB 3.57Å; F52-A95 HydrophobicContact CZ-CB 4.43Å; E91-A95 WeakPolarHBondContact O-CB 3.24Å; E91-A95 PolarHBondContact O-N 2.97Å; V92-A95 PolarHBondContact O-N 3.09Å; A95-E98 PolarHBondContact O-N 3.46Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.04Å
96A98Very high96.9Very high1 Ų158.4 Ų58.41%0.00829%0.294CS..Hα-helixtrans-63.8-42.8175.100000111.9F52 V92 M93 K94 A99 A100 V101 V103F52-A96 HydrophobicContact CE2-CB 3.77Å; F52-A96 VanDerWaalsContact CZ-CA 3.44Å; F52-A96 HydrophobicContact CZ-CB 3.88Å; V92-A96 VanDerWaalsContact O-CB 3.24Å; V92-A96 WeakPolarHBondContact O-CB 3.44Å; V92-A96 PolarHBondContact O-N 3.41Å; M93-A96 PolarHBondContact O-N 3.41Å; K94-A96 VanDerWaalsContact C-N 3.35Å; K94-A96 PolarHBondContact O-N 3.19Å; A96-A99 CarbonylContact O-C 3.57Å; A96-A99 PolarHBondContact O-N 2.76Å; A96-A100 PolarHBondContact O-N 3.19Å; A96-V101 PolarHBondContact O-N 2.96Å; A96-V103 HydrophobicContact CB-CG2 3.39Å
97K97.6Very high97.1Very high182 Ų18258.5 Ų58.579%0.79129%0.294SS*.Hα-helixtrans-62.2-45.4174.7-172.9179.6-178.3177.80112.2M93 K94 A99 A100M93-K97 VanDerWaalsContact O-CB 3.32Å; M93-K97 WeakPolarHBondContact O-CB 3.26Å; M93-K97 PolarHBondContact O-N 3.45Å; K94-K97 PolarHBondContact O-N 3.08Å; K97-A99 PolarHBondContact O-N 3.26Å; K97-A100 PolarHBondContact O-N 3.35Å; K97-A100 VanDerWaalsContact O-N 3.11Å
98E97.6Very high97.2Very high147 Ų14754.7 Ų54.769%0.68728%0.279SS*.Hα-helixtrans-61.7-34.1176.5-73.1172.1-172.500112.1K94 A95 A100K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 2.98Å; A95-E98 PolarHBondContact O-N 3.46Å; E98-A100 VanDerWaalsContact C-N 3.35Å
99A97.7Very high97.5Very high47 Ų4748.3 Ų48.339%0.38826%0.255SS..THydrogen-bonded Turntrans-86.80.4176.400000114.3F52 L56 A95 A96 K97 V101F52-A99 HydrophobicContact CZ-CB 4.4Å; L56-A99 HydrophobicContact CD1-CB 3.96Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.04Å; A96-A99 CarbonylContact O-C 3.57Å; A96-A99 PolarHBondContact O-N 2.76Å; K97-A99 PolarHBondContact O-N 3.26Å; A99-V101 HydrophobicContact CB-CG2 4.05Å; A99-V101 PolarHBondContact O-N 3.1Å
100A97.7Very high97.6Very high90 Ų9048 Ų4874%0.74425%0.254SS*.THydrogen-bonded Turntrans52.437.6-172.600000114A96 K97 E98A96-A100 PolarHBondContact O-N 3.19Å; K97-A100 PolarHBondContact O-N 3.35Å; K97-A100 VanDerWaalsContact O-N 3.11Å; E98-A100 VanDerWaalsContact C-N 3.35Å
101V98.4Very high97.7Very high19 Ų1943.9 Ų43.912%0.11524%0.236CC..  trans-100.8121178.6173.90000110.2F52 L56 V63 A96 A99F52-V101 HydrophobicContact CE2-CG1 4.43Å; L56-V101 HydrophobicContact CD2-CB 4.49Å; L56-V101 HydrophobicContact CD2-CG2 3.66Å; V63-V101 HydrophobicContact CG1-CG1 4.13Å; V63-V101 HydrophobicContact CG2-CG1 4.15Å; A96-V101 PolarHBondContact O-N 2.96Å; A99-V101 HydrophobicContact CB-CG2 4.05Å; A99-V101 PolarHBondContact O-N 3.1Å
102P98.4Very high97.8Very high56 Ų5638.2 Ų38.236%0.36421%0.21SC..  trans-63.1144.2174.424.2-32.4000111.6S61 E62 V63 Y137S61-P102 WeakPolarHBondContact O-CD 3.46Å; E62-P102 HydrophobicContact CB-CG 4.15Å; E62-P102 HydrophobicContact CG-CB 4.49Å; E62-P102 HydrophobicContact CG-CG 4.01Å; V63-P102 PolarHBondContact N-O 2.86Å; V63-P102 VanDerWaalsContact N-O 3.09Å; P102-Y137 HydrophobicContact CB-CD1 3.89Å; P102-Y137 HydrophobicContact CB-CE1 4.14Å
103V98.7Very high97.8Very high4 Ų438.4 Ų38.42%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-119.9125.6179-172.20000110.1V63 I65 M93 A96 C136 Y137V63-V103 HydrophobicContact CG2-CB 4.35Å; V63-V103 HydrophobicContact CG2-CG1 4.23Å; V63-V103 HydrophobicContact CG2-CG2 3.8Å; V63-V103 CarbonylContact O-C 3.5Å; V63-V103 VanDerWaalsContact O-CA 3.31Å; V63-V103 WeakPolarHBondContact O-CA 3.49Å; I65-V103 HydrophobicContact CD1-CG1 4.2Å; I65-V103 HydrophobicContact CG1-CG1 3.87Å; I65-V103 HydrophobicContact CG2-CG1 4.21Å; M93-V103 HydrophobicContact CE-CB 4Å; M93-V103 HydrophobicContact CE-CG1 4.46Å; M93-V103 HydrophobicContact CE-CG2 4.11Å; M93-V103 HydrophobicContact SD-CB 3.76Å; M93-V103 HydrophobicContact SD-CG1 3.64Å; M93-V103 HydrophobicContact SD-CG2 3.8Å; A96-V103 HydrophobicContact CB-CG2 3.39Å; V103-C136 CarbonylContact O-C 3.46Å; V103-C136 WeakPolarHBondContact O-CA 3.29Å; V103-Y137 WeakPolarHBondContact O-CD1 3.37Å; V103-Y137 PolarHBondContact O-N 3.37Å
104R98.8Very high97.5Very high12 Ų1239.9 Ų39.95%0.04522%0.222CC..EExtended strand (participates in β ladder)trans-91.3138.6168.4-166.5176.4-168.7-151.33.5110V63 A64 I65 Y106 Y137 E138 D196V63-R104 PolarHBondContact O-N 3.09Å; A64-R104 CarbonylContact C-O 3.51Å; A64-R104 VanDerWaalsContact CA-O 3.23Å; A64-R104 WeakPolarHBondContact CA-O 3.47Å; A64-R104 HydrophobicContact CB-CB 4.29Å; I65-R104 PolarHBondContact N-O 3.46Å; R104-Y106 HydrophobicContact CG-CE2 4.39Å; R104-Y106 PolarHBondContact NH1-OH 3.45Å; R104-Y137 HydrophobicContact CB-CE1 4Å; R104-E138 HydrophobicContact CG-CB 4.48Å; R104-E138 IonicContact CZ-OE1 2.73Å; R104-E138 IonicContact NE-OE1 2.74Å; R104-E138 PolarHBondContact NE-OE1 3.03Å; R104-E138 IonicContact NH2-OE1 2.67Å; R104-E138 PolarHBondContact NH2-OE1 3.09Å; R104-D196 IonicContact CZ-OD1 2.75Å; R104-D196 VanDerWaalsContact CZ-OD1 3.23Å; R104-D196 IonicContact CZ-OD2 3.37Å; R104-D196 IonicContact NH1-OD1 3.12Å; R104-D196 PolarHBondContact NH1-OD1 3.22Å; R104-D196 IonicContact NH1-OD2 3.83Å; R104-D196 PolarHBondContact NH1-OD2 3.4Å; R104-D196 IonicContact NH2-OD1 2.79Å; R104-D196 PolarHBondContact NH2-OD1 3.14Å; R104-D196 IonicContact NH2-OD2 3.26Å; R104-D196 PolarHBondContact NH2-OD2 2.91Å
105G98.5Very high97.3Very high0 Ų036.7 Ų36.70%021%0.207CC..EExtended strand (participates in β ladder)trans-103.1139.717600000111.5I65 E138 I139 S140I65-G105 CarbonylContact O-C 3.59Å; G105-E138 PolarHBondContact N-O 3.34Å; G105-I139 CarbonylContact O-C 3.51Å; G105-I139 VanDerWaalsContact O-CA 3.31Å; G105-I139 WeakPolarHBondContact O-CA 3.48Å; G105-S140 PolarHBondContact O-N 3.46Å
106Y98.6Very high97.1Very high29 Ų2938.9 Ų38.911%0.11421%0.214CC..EExtended strand (participates in β ladder)trans-113.5140.5169-75-94.1000110.5E11 A64 I65 G67 R104 S140 D196E11-Y106 PolarHBondContact OE1-OH 3.46Å; A64-Y106 HydrophobicContact CB-CD2 3.99Å; A64-Y106 HydrophobicContact CB-CE2 3.67Å; I65-Y106 PolarHBondContact O-N 3.15Å; G67-Y106 PolarHBondContact N-O 3.41Å; R104-Y106 HydrophobicContact CG-CE2 4.39Å; R104-Y106 PolarHBondContact NH1-OH 3.45Å; Y106-S140 WeakPolarHBondContact CA-O 3.31Å; Y106-D196 VanDerWaalsContact CE1-OD2 3.29Å; Y106-D196 WeakPolarHBondContact CE1-OD2 3.34Å
107V98.6Very high97Very high1 Ų140.7 Ų40.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-118.8114.3169.3-172.40000108.6A69 V110 V124 V127 A128 L131 I139 S140 L141 G142A69-V107 HydrophobicContact CB-CG1 4.07Å; V107-V110 HydrophobicContact CB-CG1 4.07Å; V107-V110 HydrophobicContact CG1-CG1 3.97Å; V107-V110 WeakPolarHBondContact O-CG1 3.48Å; V107-V124 HydrophobicContact CG1-CG1 4.32Å; V107-V127 HydrophobicContact CG1-CB 4.27Å; V107-V127 HydrophobicContact CG1-CG1 4Å; V107-V127 HydrophobicContact CG2-CG1 3.94Å; V107-A128 HydrophobicContact CG2-CB 4.47Å; V107-L131 HydrophobicContact CG2-CD1 3.59Å; V107-I139 HydrophobicContact CG2-CG2 3.76Å; V107-S140 PolarHBondContact N-O 2.9Å; V107-L141 HydrophobicContact CB-CD2 4.4Å; V107-L141 HydrophobicContact CG2-CD2 4.48Å; V107-G142 WeakPolarHBondContact O-CA 3.48Å; V107-G142 PolarHBondContact O-N 3.47Å
108S97.3Very high96.9Very high22 Ų2240.4 Ų40.415%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-82.3159.3174.3-62.80000112.3G67 A69 T144G67-S108 PolarHBondContact O-N 3.33Å; A69-S108 PolarHBondContact N-O 3.38Å; S108-T144 WeakPolarHBondContact CA-OG1 3.5Å; S108-T144 WeakPolarHBondContact CB-OG1 3.38Å
109C97.2Very high96.9Very high0 Ų033.8 Ų33.80%020%0.203CC..  trans60.840.6175.6-57.20000114.3F73 V111 G112 C113 V119 G142 T144F73-C109 WeakPolarHBondContact CD2-SG 3.36Å; F73-C109 VanDerWaalsContact CG-SG 3.54Å; C109-V111 VanDerWaalsContact C-N 3.3Å; C109-V111 PolarHBondContact O-N 2.88Å; C109-G112 VanDerWaalsContact CA-O 3.24Å; C109-G112 WeakPolarHBondContact CA-O 3.31Å; C109-G112 VanDerWaalsContact CB-O 3.27Å; C109-G112 WeakPolarHBondContact CB-O 3.34Å; C109-C113 HydrophobicContact CB-CB 4.11Å; C109-V119 HydrophobicContact CB-CG2 4.38Å; C109-V119 WeakPolarHBondContact O-CB 3.29Å; C109-V119 WeakPolarHBondContact O-CG2 3.46Å; C109-G142 PolarHBondContact N-O 2.85Å; C109-G142 VanDerWaalsContact N-O 3.15Å; C109-T144 PolarHBondContact N-OG1 2.87Å
110V98.4Very high97Very high1 Ų133.4 Ų33.41%0.00620%0.2CC..SBendtrans-70.7-22.4-172.5-57.10000114.5V107 V124 L141 G142 M156V107-V110 HydrophobicContact CB-CG1 4.07Å; V107-V110 HydrophobicContact CG1-CG1 3.97Å; V107-V110 WeakPolarHBondContact O-CG1 3.48Å; V110-V124 HydrophobicContact CB-CG1 3.88Å; V110-V124 HydrophobicContact CB-CG2 4.23Å; V110-V124 HydrophobicContact CG1-CG1 3.77Å; V110-V124 VanDerWaalsContact O-CG2 3.27Å; V110-V124 WeakPolarHBondContact O-CG2 3.41Å; V110-L141 HydrophobicContact CG1-CB 4.07Å; V110-L141 HydrophobicContact CG1-CD2 4.27Å; V110-L141 HydrophobicContact CG2-CB 4.42Å; V110-G142 VanDerWaalsContact CG2-C 3.42Å; V110-G142 WeakPolarHBondContact CG2-O 3.28Å; V110-G142 PolarHBondContact N-O 3.26Å; V110-G142 VanDerWaalsContact N-O 3.12Å; V110-M156 HydrophobicContact CB-CE 4.26Å; V110-M156 HydrophobicContact CB-CG 4.13Å; V110-M156 HydrophobicContact CB-SD 4.22Å; V110-M156 HydrophobicContact CG2-CE 3.87Å; V110-M156 HydrophobicContact CG2-SD 4.48Å; V110-M156 VanDerWaalsContact O-CG 3.3Å; V110-M156 WeakPolarHBondContact O-CG 3.18Å
111V96.9Very high97Very high15 Ų1530.3 Ų30.39%0.09117%0.172CC..SBendtrans-119-20.7177.8-69.90000112.7C109 D143 M153 M156C109-V111 VanDerWaalsContact C-N 3.3Å; C109-V111 PolarHBondContact O-N 2.88Å; V111-D143 HydrophobicContact CG2-CB 3.71Å; V111-D143 VanDerWaalsContact CG2-OD1 3.24Å; V111-D143 WeakPolarHBondContact CG2-OD1 3.49Å; V111-M153 HydrophobicContact CG1-CE 4.49Å; V111-M156 HydrophobicContact CG1-CB 4.33Å
112G95.9Very high97Very high3 Ų335.6 Ų35.63%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-169.5153.1-178.700000112.2C109 G117C109-G112 VanDerWaalsContact CA-O 3.24Å; C109-G112 WeakPolarHBondContact CA-O 3.31Å; C109-G112 VanDerWaalsContact CB-O 3.27Å; C109-G112 WeakPolarHBondContact CB-O 3.34Å; G112-G117 CarbonylContact C-O 3.54Å; G112-G117 WeakPolarHBondContact CA-O 3.47Å
113C95.9Very high97Very high4 Ų437.9 Ų37.93%0.02720%0.2CC..EExtended strand (participates in β ladder)trans-120.9138178.3171.40000109.7S70 C109 Y115 E116 G117 V119S70-C113 PolarHBondContact OG-SG 2.81Å; C109-C113 HydrophobicContact CB-CB 4.11Å; C113-Y115 PolarHBondContact O-N 2.98Å; C113-Y115 PolarHBondContact SG-N 2.88Å; C113-E116 HydrophobicContact CB-CB 4.11Å; C113-E116 PolarHBondContact SG-N 2.95Å; C113-E116 VanDerWaalsContact SG-N 3.39Å; C113-G117 PolarHBondContact N-O 3.09Å; C113-G117 WeakPolarHBondContact O-CA 3.18Å; C113-G117 PolarHBondContact O-N 3.19Å; C113-V119 HydrophobicContact CB-CG2 3.82Å
114P93.1Very high97Very high47 Ų4737.7 Ų37.731%0.30520%0.199SC..THydrogen-bonded Turntrans-66.3-7.9177.427.6-35.4000113.9F73 I145 Y207F73-P114 HydrophobicContact CD2-CG 4.06Å; F73-P114 HydrophobicContact CE2-CG 4.25Å; P114-I145 HydrophobicContact CB-CG2 4.24Å; P114-I145 HydrophobicContact CG-CG2 4.14Å; P114-Y207 HydrophobicContact CB-CD1 4.34Å; P114-Y207 HydrophobicContact CB-CD2 4.48Å; P114-Y207 HydrophobicContact CB-CG 4.09Å; P114-Y207 HydrophobicContact CG-CD1 4.26Å; P114-Y207 HydrophobicContact CG-CD2 4.09Å; P114-Y207 HydrophobicContact CG-CE1 4.4Å; P114-Y207 HydrophobicContact CG-CE2 4.2Å; P114-Y207 HydrophobicContact CG-CG 4.09Å
115Y93.5Very high97Very high72 Ų7237.4 Ų37.428%0.28220%0.2SC..THydrogen-bonded Turntrans-117.2-40.6-176.9-48.4-56.3000113.5L72 F73 K76 C113 Y207L72-Y115 HydrophobicContact CB-CD2 4.38Å; L72-Y115 HydrophobicContact CB-CG 4.46Å; F73-Y115 HydrophobicContact CB-CD2 4.28Å; F73-Y115 HydrophobicContact CD2-CD2 4.2Å; F73-Y115 AromaticContact CD2-CE2 3.85Å; F73-Y115 HydrophobicContact CD2-CE2 3.85Å; K76-Y115 HydrophobicContact CB-CE2 4.09Å; K76-Y115 HydrophobicContact CD-CD1 3.92Å; K76-Y115 HydrophobicContact CD-CD2 3.85Å; K76-Y115 HydrophobicContact CD-CE1 3.58Å; K76-Y115 HydrophobicContact CD-CE2 3.5Å; K76-Y115 VanDerWaalsContact CD-CE2 3.5Å; K76-Y115 HydrophobicContact CD-CG 4.02Å; K76-Y115 HydrophobicContact CG-CE2 4.35Å; C113-Y115 PolarHBondContact O-N 2.98Å; C113-Y115 PolarHBondContact SG-N 2.88Å; Y115-Y207 HydrophobicContact CE1-CE1 4.5Å; Y115-Y207 AromaticContact CZ-CE1 3.81Å; Y115-Y207 WeakPolarHBondContact OH-CE1 3.48Å
116E93.1Very high97Very high65 Ų6541.7 Ų41.730%0.30422%0.219SC..THydrogen-bonded Turntrans-97.1-10.2-178.5-67177.1-179.700112.7S70 E71 L72 C113S70-E116 WeakPolarHBondContact CA-OE2 3.34Å; S70-E116 WeakPolarHBondContact CB-OE2 3.42Å; S70-E116 PolarHBondContact OG-OE1 2.79Å; S70-E116 PolarHBondContact OG-OE2 2.74Å; E71-E116 PolarHBondContact N-OE1 3.14Å; E71-E116 VanDerWaalsContact N-OE1 3.13Å; L72-E116 HydrophobicContact CB-CG 3.88Å; L72-E116 HydrophobicContact CD1-CG 3.66Å; L72-E116 HydrophobicContact CG-CG 3.75Å; L72-E116 WeakPolarHBondContact CG-OE1 3.27Å; L72-E116 PolarHBondContact N-OE1 3.23Å; C113-E116 HydrophobicContact CB-CB 4.11Å; C113-E116 PolarHBondContact SG-N 2.95Å; C113-E116 VanDerWaalsContact SG-N 3.39Å
117G95.2Very high97Very high39 Ų3940.5 Ų40.540%0.40222%0.215SC..EExtended strand (participates in β ladder)trans73.4-125.4-173.100000110.9G112 C113 V119G112-G117 CarbonylContact C-O 3.54Å; G112-G117 WeakPolarHBondContact CA-O 3.47Å; C113-G117 PolarHBondContact N-O 3.09Å; C113-G117 WeakPolarHBondContact O-CA 3.18Å; C113-G117 PolarHBondContact O-N 3.19Å; G117-V119 PolarHBondContact O-N 3.19Å
118Q96.1Very high97Very high175 Ų17540.5 Ų40.582%0.81822%0.215SC*.EExtended strand (participates in β ladder)trans-66.2133-175.6-170.8174.81.200111.7
119V97.8Very high97.1Very high8 Ų843.7 Ų43.75%0.04823%0.226CC..PPolyproline II helixtrans-103130.1174.1177.20000108.9A69 C109 C113 G117 V124A69-V119 HydrophobicContact CB-CG1 3.74Å; C109-V119 HydrophobicContact CB-CG2 4.38Å; C109-V119 WeakPolarHBondContact O-CB 3.29Å; C109-V119 WeakPolarHBondContact O-CG2 3.46Å; C113-V119 HydrophobicContact CB-CG2 3.82Å; G117-V119 PolarHBondContact O-N 3.19Å; V119-V124 HydrophobicContact CG1-CG2 4.03Å
120A98.4Very high97.1Very high39 Ų3947 Ų4732%0.32224%0.239SC..PPolyproline II helixtrans-70.2131.4178.900000110.6E122 K123A120-E122 PolarHBondContact O-N 3.45Å; A120-E122 VanDerWaalsContact O-N 3.12Å; A120-K123 HydrophobicContact CB-CG 4.37Å; A120-K123 WeakPolarHBondContact O-CB 3.32Å; A120-K123 PolarHBondContact O-N 3.47Å
121P98.6Very high97.1Very high25 Ų2547 Ų4716%0.16224%0.238CC..Hα-helixtrans-49.8-36.2177.6-33.139.4000114.7K123 V124 A125 K155 A159P121-K123 VanDerWaalsContact C-N 3.3Å; P121-K123 PolarHBondContact O-N 2.97Å; P121-V124 WeakPolarHBondContact O-CB 3.35Å; P121-V124 PolarHBondContact O-N 3.44Å; P121-V124 VanDerWaalsContact O-N 3.11Å; P121-A125 PolarHBondContact O-N 2.6Å; P121-K155 HydrophobicContact CG-CB 4.23Å; P121-A159 HydrophobicContact CB-CB 3.52Å
122E98.6Very high97.2Very high130 Ų13050.5 Ų50.561%0.60725%0.251SS*.Hα-helixtrans-66.3-32.3-178.7-60.672.1-156.900112A120 V124 A125 H126A120-E122 PolarHBondContact O-N 3.45Å; A120-E122 VanDerWaalsContact O-N 3.12Å; E122-V124 VanDerWaalsContact C-N 3.33Å; E122-A125 PolarHBondContact O-N 3.37Å; E122-H126 WeakPolarHBondContact O-CB 3.41Å; E122-H126 PolarHBondContact O-N 3.26Å
123K98.3Very high97.3Very high104 Ų10454.7 Ų54.745%0.45228%0.279SS..Hα-helixtrans-66.4-39.2173.3-70.7-173.8172.8-173.70111.1A120 P121 H126 V127A120-K123 HydrophobicContact CB-CG 4.37Å; A120-K123 WeakPolarHBondContact O-CB 3.32Å; A120-K123 PolarHBondContact O-N 3.47Å; P121-K123 VanDerWaalsContact C-N 3.3Å; P121-K123 PolarHBondContact O-N 2.97Å; K123-H126 PolarHBondContact O-N 2.75Å; K123-V127 WeakPolarHBondContact O-CG2 3.47Å; K123-V127 PolarHBondContact O-N 2.73Å; K123-V127 VanDerWaalsContact O-N 3.13Å
124V98.7Very high97.4Very high0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-65.2-48.1176.5-171.40000110.2A69 V107 V110 V119 P121 E122 H126 V127 A128 L141 M156 V160A69-V124 HydrophobicContact CB-CB 4.45Å; A69-V124 HydrophobicContact CB-CG2 3.82Å; V107-V124 HydrophobicContact CG1-CG1 4.32Å; V110-V124 HydrophobicContact CB-CG1 3.88Å; V110-V124 HydrophobicContact CB-CG2 4.23Å; V110-V124 HydrophobicContact CG1-CG1 3.77Å; V110-V124 VanDerWaalsContact O-CG2 3.27Å; V110-V124 WeakPolarHBondContact O-CG2 3.41Å; V119-V124 HydrophobicContact CG1-CG2 4.03Å; P121-V124 WeakPolarHBondContact O-CB 3.35Å; P121-V124 PolarHBondContact O-N 3.44Å; P121-V124 VanDerWaalsContact O-N 3.11Å; E122-V124 VanDerWaalsContact C-N 3.33Å; V124-H126 VanDerWaalsContact C-N 3.3Å; V124-H126 PolarHBondContact O-N 2.79Å; V124-V127 PolarHBondContact O-N 2.78Å; V124-A128 WeakPolarHBondContact O-CB 3.2Å; V124-A128 PolarHBondContact O-N 2.78Å; V124-L141 HydrophobicContact CG1-CD2 3.91Å; V124-M156 HydrophobicContact CB-CG 4.29Å; V124-M156 HydrophobicContact CG1-CG 4.1Å; V124-M156 HydrophobicContact CG1-SD 3.94Å; V124-M156 HydrophobicContact CG2-CG 4.16Å; V124-V160 HydrophobicContact CB-CG2 4.25Å; V124-V160 HydrophobicContact CG1-CG2 3.83Å
125A98.8Very high97.6Very high7 Ų756.5 Ų56.56%0.05830%0.297CS..Hα-helixtrans-57.9-42.6176.900000111.8P121 E122 K129 A159 V160 E163P121-A125 PolarHBondContact O-N 2.6Å; E122-A125 PolarHBondContact O-N 3.37Å; A125-K129 WeakPolarHBondContact O-CB 3.39Å; A125-K129 PolarHBondContact O-N 3.44Å; A125-A159 HydrophobicContact CB-CB 4.28Å; A125-V160 HydrophobicContact CB-CG2 4.25Å; A125-E163 HydrophobicContact CB-CG 4.23Å
126H98.4Very high97.8Very high90 Ų9053.1 Ų53.142%0.41728%0.284SS..Hα-helixtrans-58-51.6174.9174.5-95.8000112.3E83 E122 K123 V124 K129 R130E83-H126 IonicContact OE2-CE1 2.82Å; E122-H126 WeakPolarHBondContact O-CB 3.41Å; E122-H126 PolarHBondContact O-N 3.26Å; K123-H126 PolarHBondContact O-N 2.75Å; V124-H126 VanDerWaalsContact C-N 3.3Å; V124-H126 PolarHBondContact O-N 2.79Å; H126-K129 PolarHBondContact O-N 3.45Å; H126-R130 WeakPolarHBondContact O-CG 3.46Å; H126-R130 PolarHBondContact O-N 3.24Å
127V98.6Very high98.1Very high4 Ų454.5 Ų54.52%0.02429%0.287CS..Hα-helixtrans-66.2-44.2-178.5178.40000111.3V82 L86 V107 K123 V124 K129 R130 L131V82-V127 HydrophobicContact CG1-CG2 3.67Å; L86-V127 HydrophobicContact CD2-CG1 4.32Å; V107-V127 HydrophobicContact CG1-CB 4.27Å; V107-V127 HydrophobicContact CG1-CG1 4Å; V107-V127 HydrophobicContact CG2-CG1 3.94Å; K123-V127 WeakPolarHBondContact O-CG2 3.47Å; K123-V127 PolarHBondContact O-N 2.73Å; K123-V127 VanDerWaalsContact O-N 3.13Å; V124-V127 PolarHBondContact O-N 2.78Å; V127-K129 PolarHBondContact O-N 3.35Å; V127-R130 PolarHBondContact O-N 3.03Å; V127-L131 HydrophobicContact CG1-CD1 4.21Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 3.41Å
128A98.8Very high98.3Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-60-45.5177.200000111.5V107 V124 R130 L131 Y132 I139 L141 V160 V164V107-A128 HydrophobicContact CG2-CB 4.47Å; V124-A128 WeakPolarHBondContact O-CB 3.2Å; V124-A128 PolarHBondContact O-N 2.78Å; A128-R130 PolarHBondContact O-N 2.88Å; A128-L131 PolarHBondContact O-N 3.47Å; A128-Y132 WeakPolarHBondContact O-CB 3.2Å; A128-Y132 PolarHBondContact O-N 3.1Å; A128-I139 HydrophobicContact CB-CG2 4.06Å; A128-L141 HydrophobicContact CB-CD2 4.35Å; A128-V160 HydrophobicContact CB-CG1 4.01Å; A128-V164 HydrophobicContact CB-CG2 4.17Å
129K98.7Very high98.4Very high89 Ų8945.3 Ų45.339%0.38723%0.234SC..Hα-helixtrans-59.1-44.6174.6-175.5-177.8-170.4162.40111.8A125 H126 V127 Y132 S133 E163A125-K129 WeakPolarHBondContact O-CB 3.39Å; A125-K129 PolarHBondContact O-N 3.44Å; H126-K129 PolarHBondContact O-N 3.45Å; V127-K129 PolarHBondContact O-N 3.35Å; K129-Y132 PolarHBondContact O-N 3.41Å; K129-S133 VanDerWaalsContact O-CB 3.26Å; K129-S133 WeakPolarHBondContact O-CB 3.28Å; K129-S133 PolarHBondContact O-N 2.83Å; K129-S133 PolarHBondContact O-OG 2.67Å; K129-S133 VanDerWaalsContact O-OG 3.04Å; K129-E163 HydrophobicContact CB-CB 4.11Å; K129-E163 HydrophobicContact CD-CB 4.19Å; K129-E163 HydrophobicContact CD-CG 4.41Å; K129-E163 VanDerWaalsContact CD-OE2 3.29Å; K129-E163 WeakPolarHBondContact CD-OE2 3.41Å; K129-E163 VanDerWaalsContact CE-OE2 3.27Å; K129-E163 WeakPolarHBondContact CE-OE2 3.41Å; K129-E163 HydrophobicContact CG-CB 4.33Å; K129-E163 IonicContact NZ-OE2 3.98Å; K129-E163 PolarHBondContact NZ-OE2 3.08Å
130R98.3Very high98.5Very high70 Ų7045 Ų4526%0.26423%0.231SC..Hα-helixtrans-62.2-47.3178.4-72.4-65.2-66.1-84.7-1.1111.4E83 L86 H126 V127 A128 Y132 S133 M134E83-R130 VanDerWaalsContact CD-NH1 3.35Å; E83-R130 IonicContact OE1-CZ 3.55Å; E83-R130 VanDerWaalsContact OE1-CZ 3.25Å; E83-R130 IonicContact OE1-NH1 3.92Å; E83-R130 PolarHBondContact OE1-NH1 3.02Å; E83-R130 IonicContact OE1-NH2 3.25Å; E83-R130 PolarHBondContact OE1-NH2 3.45Å; E83-R130 IonicContact OE2-CZ 2.77Å; E83-R130 IonicContact OE2-NH1 2.8Å; E83-R130 PolarHBondContact OE2-NH1 3.43Å; E83-R130 VanDerWaalsContact OE2-NH1 3.08Å; L86-R130 HydrophobicContact CD1-CB 3.96Å; L86-R130 HydrophobicContact CD1-CG 4.21Å; L86-R130 HydrophobicContact CD2-CB 4.34Å; H126-R130 WeakPolarHBondContact O-CG 3.46Å; H126-R130 PolarHBondContact O-N 3.24Å; V127-R130 PolarHBondContact O-N 3.03Å; A128-R130 PolarHBondContact O-N 2.88Å; R130-Y132 PolarHBondContact O-N 2.89Å; R130-S133 PolarHBondContact O-N 3.21Å; R130-M134 WeakPolarHBondContact O-CB 3.12Å; R130-M134 VanDerWaalsContact O-CG 3.28Å; R130-M134 WeakPolarHBondContact O-CG 3.12Å; R130-M134 PolarHBondContact O-N 2.98Å
131L98.5Very high98.5Very high0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-59.7-45.5176.3-69.4171000112.2I65 L86 F89 V107 V127 A128 M134 G135 C136 I139I65-L131 HydrophobicContact CD1-CD2 3.8Å; I65-L131 HydrophobicContact CG1-CD2 4.33Å; L86-L131 HydrophobicContact CD2-CD2 3.87Å; L86-L131 HydrophobicContact CD2-CG 4.07Å; F89-L131 HydrophobicContact CD2-CD2 4.21Å; V107-L131 HydrophobicContact CG2-CD1 3.59Å; V127-L131 HydrophobicContact CG1-CD1 4.21Å; V127-L131 WeakPolarHBondContact O-CG 3.49Å; V127-L131 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 3.47Å; L131-M134 HydrophobicContact CD2-CE 3.85Å; L131-M134 HydrophobicContact CG-CE 4.48Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-G135 PolarHBondContact O-N 3.23Å; L131-C136 WeakPolarHBondContact O-CB 3.3Å; L131-C136 PolarHBondContact O-N 2.91Å; L131-C136 VanDerWaalsContact O-N 3.15Å; L131-C136 PolarHBondContact O-SG 2.64Å; L131-C136 VanDerWaalsContact O-SG 3.37Å; L131-I139 HydrophobicContact CB-CD1 3.48Å; L131-I139 VanDerWaalsContact CB-CD1 3.48Å; L131-I139 HydrophobicContact CD1-CD1 4.42Å; L131-I139 HydrophobicContact CD1-CG2 4.47Å
132Y98.6Very high98.5Very high90 Ų9042.1 Ų42.135%0.35321%0.211SC..Hα-helixtrans-63.9-48.5178.6-174.7-106.9000111.5A128 K129 R130 M134 G135 C136 V164 P165 A168A128-Y132 WeakPolarHBondContact O-CB 3.2Å; A128-Y132 PolarHBondContact O-N 3.1Å; K129-Y132 PolarHBondContact O-N 3.41Å; R130-Y132 PolarHBondContact O-N 2.89Å; Y132-M134 PolarHBondContact O-N 2.79Å; Y132-G135 WeakPolarHBondContact O-CA 3.44Å; Y132-G135 PolarHBondContact O-N 3.13Å; Y132-C136 WeakPolarHBondContact CD2-O 3.48Å; Y132-V164 HydrophobicContact CD1-CG1 4.41Å; Y132-V164 HydrophobicContact CD2-CG1 4.04Å; Y132-V164 HydrophobicContact CG-CG1 3.97Å; Y132-V164 HydrophobicContact CG-CG2 4.47Å; Y132-P165 HydrophobicContact CE1-CG 4.21Å; Y132-P165 HydrophobicContact CE2-CG 4.29Å; Y132-P165 WeakPolarHBondContact OH-CG 3.35Å; Y132-A168 HydrophobicContact CD2-CB 4.02Å; Y132-A168 HydrophobicContact CE2-CB 3.52Å
133S98.1Very high98.4Very high90 Ų9036 Ų3663%0.62918%0.182SC*.Hα-helixtrans-63.6-26.7177.1-66.80000113.7K129 R130 G135K129-S133 VanDerWaalsContact O-CB 3.26Å; K129-S133 WeakPolarHBondContact O-CB 3.28Å; K129-S133 PolarHBondContact O-N 2.83Å; K129-S133 PolarHBondContact O-OG 2.67Å; K129-S133 VanDerWaalsContact O-OG 3.04Å; R130-S133 PolarHBondContact O-N 3.21Å; S133-G135 PolarHBondContact O-N 3.21Å
134M96.7Very high98.2Very high40 Ų4032.1 Ų32.120%0.19717%0.167CC..Hα-helixtrans-72-15.6172.7-78.2-170.5-72.700113L86 E90 M93 R130 L131 Y132L86-M134 HydrophobicContact CB-CE 4.22Å; L86-M134 HydrophobicContact CD2-CE 3.7Å; E90-M134 HydrophobicContact CG-SD 3.97Å; M93-M134 VanDerWaalsContact CE-O 3.31Å; M93-M134 WeakPolarHBondContact CE-O 3.47Å; M93-M134 HydrophobicContact CG-CB 4.23Å; R130-M134 WeakPolarHBondContact O-CB 3.12Å; R130-M134 VanDerWaalsContact O-CG 3.28Å; R130-M134 WeakPolarHBondContact O-CG 3.12Å; R130-M134 PolarHBondContact O-N 2.98Å; L131-M134 HydrophobicContact CD2-CE 3.85Å; L131-M134 HydrophobicContact CG-CE 4.48Å; L131-M134 PolarHBondContact O-N 2.88Å; Y132-M134 PolarHBondContact O-N 2.79Å
135G97.9Very high98Very high49 Ų4932.9 Ų32.951%0.50517%0.171SC..THydrogen-bonded Turntrans113.812.2176.800000114.9L131 Y132 S133 Y137L131-G135 PolarHBondContact O-N 3.23Å; Y132-G135 WeakPolarHBondContact O-CA 3.44Å; Y132-G135 PolarHBondContact O-N 3.13Å; S133-G135 PolarHBondContact O-N 3.21Å; G135-Y137 PolarHBondContact O-N 2.81Å
136C98.6Very high97.9Very high2 Ų232.6 Ų32.61%0.01417%0.168CC..  trans-64.8130.6168.3-64.70000109.1V103 L131 Y132 I139V103-C136 CarbonylContact O-C 3.46Å; V103-C136 WeakPolarHBondContact O-CA 3.29Å; L131-C136 WeakPolarHBondContact O-CB 3.3Å; L131-C136 PolarHBondContact O-N 2.91Å; L131-C136 VanDerWaalsContact O-N 3.15Å; L131-C136 PolarHBondContact O-SG 2.64Å; L131-C136 VanDerWaalsContact O-SG 3.37Å; Y132-C136 WeakPolarHBondContact CD2-O 3.48Å; C136-I139 HydrophobicContact CB-CD1 3.52Å
137Y98.6Very high97.8Very high94 Ų9431 Ų3137%0.36917%0.165SC..SBendtrans-78.8-25.8-177.178.4-88.2000112.5E62 P102 V103 R104 G135 A168E62-Y137 PolarHBondContact OE1-OH 2.84Å; E62-Y137 VanDerWaalsContact OE1-OH 3.06Å; P102-Y137 HydrophobicContact CB-CD1 3.89Å; P102-Y137 HydrophobicContact CB-CE1 4.14Å; V103-Y137 WeakPolarHBondContact O-CD1 3.37Å; V103-Y137 PolarHBondContact O-N 3.37Å; R104-Y137 HydrophobicContact CB-CE1 4Å; G135-Y137 PolarHBondContact O-N 2.81Å; Y137-A168 WeakPolarHBondContact O-CB 3.24Å
138E98.8Very high97.8Very high21 Ų2130.9 Ų30.910%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-146.5141179.3-172.5-173.299.800110.2R104 G105 A168 A170R104-E138 HydrophobicContact CG-CB 4.48Å; R104-E138 IonicContact CZ-OE1 2.73Å; R104-E138 IonicContact NE-OE1 2.74Å; R104-E138 PolarHBondContact NE-OE1 3.03Å; R104-E138 IonicContact NH2-OE1 2.67Å; R104-E138 PolarHBondContact NH2-OE1 3.09Å; G105-E138 PolarHBondContact N-O 3.34Å; E138-A168 CarbonylContact C-O 3.6Å; E138-A168 VanDerWaalsContact CA-O 3.31Å; E138-A168 WeakPolarHBondContact CA-O 3.48Å; E138-A170 HydrophobicContact CG-CB 4.26Å; E138-A170 WeakPolarHBondContact OE1-CB 3.43Å
139I98.9Very high97.8Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-115.7115.8178.7-48.9-56.7000110.3G105 V107 A128 L131 C136 L141 A168 L169 A170G105-I139 CarbonylContact O-C 3.51Å; G105-I139 VanDerWaalsContact O-CA 3.31Å; G105-I139 WeakPolarHBondContact O-CA 3.48Å; V107-I139 HydrophobicContact CG2-CG2 3.76Å; A128-I139 HydrophobicContact CB-CG2 4.06Å; L131-I139 HydrophobicContact CB-CD1 3.48Å; L131-I139 VanDerWaalsContact CB-CD1 3.48Å; L131-I139 HydrophobicContact CD1-CD1 4.42Å; L131-I139 HydrophobicContact CD1-CG2 4.47Å; C136-I139 HydrophobicContact CB-CD1 3.52Å; I139-L141 HydrophobicContact CG2-CD2 4.28Å; I139-A168 PolarHBondContact N-O 2.92Å; I139-L169 HydrophobicContact CB-CD2 4.21Å; I139-A170 PolarHBondContact O-N 3.32Å
140S98.9Very high97.8Very high0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-88.4121.2172.8-177.20000111.6G105 Y106 V107 H172 D196G105-S140 PolarHBondContact O-N 3.46Å; Y106-S140 WeakPolarHBondContact CA-O 3.31Å; V107-S140 PolarHBondContact N-O 2.9Å; S140-H172 WeakPolarHBondContact OG-CB 3.46Å; S140-D196 WeakPolarHBondContact CB-OD2 3.47Å; S140-D196 PolarHBondContact OG-OD2 3.39Å
141L98.9Very high97.8Very high0 Ų030.6 Ų30.60%019%0.187CC..EExtended strand (participates in β ladder)trans-94.8105.5-176.6-60.3169.1000109.9V107 V110 V124 A128 I139 M156 L157 V160 L169 A170 H172V107-L141 HydrophobicContact CB-CD2 4.4Å; V107-L141 HydrophobicContact CG2-CD2 4.48Å; V110-L141 HydrophobicContact CG1-CB 4.07Å; V110-L141 HydrophobicContact CG1-CD2 4.27Å; V110-L141 HydrophobicContact CG2-CB 4.42Å; V124-L141 HydrophobicContact CG1-CD2 3.91Å; A128-L141 HydrophobicContact CB-CD2 4.35Å; I139-L141 HydrophobicContact CG2-CD2 4.28Å; L141-M156 HydrophobicContact CB-CE 4.1Å; L141-M156 HydrophobicContact CB-SD 4.45Å; L141-M156 HydrophobicContact CD1-CE 4.04Å; L141-M156 HydrophobicContact CD1-SD 3.85Å; L141-M156 HydrophobicContact CD2-SD 4.44Å; L141-M156 HydrophobicContact CG-SD 4.48Å; L141-L157 HydrophobicContact CD1-CD2 3.64Å; L141-V160 HydrophobicContact CD1-CB 4.46Å; L141-V160 HydrophobicContact CD1-CG1 4.14Å; L141-V160 HydrophobicContact CD1-CG2 4.38Å; L141-V160 HydrophobicContact CD2-CG1 4.45Å; L141-V160 HydrophobicContact CD2-CG2 4.35Å; L141-L169 HydrophobicContact CD1-CD2 4.22Å; L141-A170 PolarHBondContact N-O 3.01Å; L141-H172 PolarHBondContact O-N 3.05Å
142G98.3Very high97.8Very high5 Ų532.4 Ų32.45%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-96.3112.3-170.100000115.6V107 C109 V110 T144 H172V107-G142 WeakPolarHBondContact O-CA 3.48Å; V107-G142 PolarHBondContact O-N 3.47Å; C109-G142 PolarHBondContact N-O 2.85Å; C109-G142 VanDerWaalsContact N-O 3.15Å; V110-G142 VanDerWaalsContact CG2-C 3.42Å; V110-G142 WeakPolarHBondContact CG2-O 3.28Å; V110-G142 PolarHBondContact N-O 3.26Å; V110-G142 VanDerWaalsContact N-O 3.12Å; G142-T144 PolarHBondContact O-N 3.27Å; G142-T144 PolarHBondContact O-OG1 3.36Å; G142-H172 CarbonylContact C-O 3.56Å; G142-H172 VanDerWaalsContact CA-O 3.29Å; G142-H172 WeakPolarHBondContact CA-O 3.44Å
143D97.9Very high97.8Very high0 Ų028.1 Ų28.10%018%0.183CC..EExtended strand (participates in β ladder)trans-77.777.5158.9-179.311000109.3V111 I145 G146 V147 G148 H172 H174V111-D143 HydrophobicContact CG2-CB 3.71Å; V111-D143 VanDerWaalsContact CG2-OD1 3.24Å; V111-D143 WeakPolarHBondContact CG2-OD1 3.49Å; D143-I145 PolarHBondContact O-N 3.07Å; D143-I145 VanDerWaalsContact O-N 3.17Å; D143-G146 VanDerWaalsContact CG-CA 3.48Å; D143-G146 PolarHBondContact O-N 3.37Å; D143-G146 WeakPolarHBondContact OD1-CA 3.38Å; D143-G146 PolarHBondContact OD1-N 3.28Å; D143-G146 VanDerWaalsContact OD2-C 3.23Å; D143-G146 WeakPolarHBondContact OD2-CA 3.44Å; D143-V147 PolarHBondContact OD1-N 2.84Å; D143-V147 PolarHBondContact OD2-N 3.49Å; D143-G148 WeakPolarHBondContact OD2-CA 3.38Å; D143-G148 PolarHBondContact OD2-N 3.44Å; D143-H172 PolarHBondContact N-O 3.4Å; D143-H174 WeakPolarHBondContact O-CB 3.34Å; D143-H174 PolarHBondContact O-N 2.93Å
144T94.1Very high97.9Very high23 Ų2325.8 Ų25.814%0.14117%0.165CC..THydrogen-bonded Turntrans-61-25.7-170.7-45.40000114F73 S108 C109 G142 H174F73-T144 HydrophobicContact CZ-CG2 4.1Å; S108-T144 WeakPolarHBondContact CA-OG1 3.5Å; S108-T144 WeakPolarHBondContact CB-OG1 3.38Å; C109-T144 PolarHBondContact N-OG1 2.87Å; G142-T144 PolarHBondContact O-N 3.27Å; G142-T144 PolarHBondContact O-OG1 3.36Å; T144-H174 PolarHBondContact O-CE1 3.01Å; T144-H174 VanDerWaalsContact O-CE1 3.25Å; T144-H174 PolarHBondContact O-ND1 3.2Å
145I94.5Very high98Very high17 Ų1730.4 Ų30.49%0.08718%0.184CC..THydrogen-bonded Turntrans-111.3-5.2-177.956.1169.2000112.7P114 D143 V147 T176 Y207P114-I145 HydrophobicContact CB-CG2 4.24Å; P114-I145 HydrophobicContact CG-CG2 4.14Å; D143-I145 PolarHBondContact O-N 3.07Å; D143-I145 VanDerWaalsContact O-N 3.17Å; I145-V147 VanDerWaalsContact C-N 3.32Å; I145-V147 HydrophobicContact CB-CG1 4.35Å; I145-V147 HydrophobicContact CD1-CB 4.25Å; I145-V147 HydrophobicContact CD1-CG1 3.62Å; I145-V147 HydrophobicContact CD1-CG2 3.62Å; I145-V147 HydrophobicContact CG1-CB 4.27Å; I145-V147 HydrophobicContact CG1-CG1 3.76Å; I145-V147 HydrophobicContact CG1-CG2 3.7Å; I145-T176 WeakPolarHBondContact O-CB 3.19Å; I145-T176 WeakPolarHBondContact O-CG2 3.43Å; I145-T176 PolarHBondContact O-OG1 3.45Å; I145-Y207 HydrophobicContact CG2-CD2 3.91Å
146G96.3Very high98Very high0 Ų028.2 Ų28.20%016%0.161CC..SBendtrans72.722.7175.500000113.7D143 H174 Y177D143-G146 VanDerWaalsContact CG-CA 3.48Å; D143-G146 PolarHBondContact O-N 3.37Å; D143-G146 WeakPolarHBondContact OD1-CA 3.38Å; D143-G146 PolarHBondContact OD1-N 3.28Å; D143-G146 VanDerWaalsContact OD2-C 3.23Å; D143-G146 WeakPolarHBondContact OD2-CA 3.44Å; G146-H174 WeakPolarHBondContact CA-O 3.41Å; G146-Y177 WeakPolarHBondContact O-CB 3.39Å; G146-Y177 VanDerWaalsContact O-CD2 3.32Å; G146-Y177 WeakPolarHBondContact O-CD2 3.38Å
147V96.9Very high98Very high58 Ų5828.1 Ų28.135%0.35216%0.16SC..  trans-91.3-7.8-177.2-60.10000112.8D143 I145 Y177D143-V147 PolarHBondContact OD1-N 2.84Å; D143-V147 PolarHBondContact OD2-N 3.49Å; I145-V147 VanDerWaalsContact C-N 3.32Å; I145-V147 HydrophobicContact CB-CG1 4.35Å; I145-V147 HydrophobicContact CD1-CB 4.25Å; I145-V147 HydrophobicContact CD1-CG1 3.62Å; I145-V147 HydrophobicContact CD1-CG2 3.62Å; I145-V147 HydrophobicContact CG1-CB 4.27Å; I145-V147 HydrophobicContact CG1-CG1 3.76Å; I145-V147 HydrophobicContact CG1-CG2 3.7Å; V147-Y177 HydrophobicContact CG1-CD2 4.01Å; V147-Y177 HydrophobicContact CG1-CE2 3.66Å
148G97.8Very high98Very high0 Ų028.3 Ų28.30%016%0.164CC..  trans-60.4145.2177.600000111.5D143 Q179 N183D143-G148 WeakPolarHBondContact OD2-CA 3.38Å; D143-G148 PolarHBondContact OD2-N 3.44Å; G148-Q179 WeakPolarHBondContact O-CB 3.37Å; G148-Q179 VanDerWaalsContact O-CG 3.3Å; G148-Q179 WeakPolarHBondContact O-CG 3.46Å; G148-N183 VanDerWaalsContact C-ND2 3.28Å; G148-N183 PolarHBondContact O-ND2 3.47Å
149T98.8Very high98Very high66 Ų6627.8 Ų27.841%0.40516%0.164SC..  trans-121.5165.3169.4620000108.4G151 S152 M153 N183T149-G151 PolarHBondContact O-N 3.02Å; T149-S152 PolarHBondContact N-OG 3.5Å; T149-S152 PolarHBondContact O-N 3.18Å; T149-S152 PolarHBondContact O-OG 3.31Å; T149-S152 VanDerWaalsContact O-OG 3.1Å; T149-M153 PolarHBondContact O-N 3.4Å; T149-N183 WeakPolarHBondContact CA-OD1 3.35Å; T149-N183 PolarHBondContact O-OD1 3Å
150P98.8Very high98Very high45 Ų4527.8 Ų27.829%0.29216%0.164SC..Hα-helixtrans-47.4-42.5179-36.740.7000113.5M153 T154 A182 N183 I186P150-M153 PolarHBondContact O-N 2.98Å; P150-T154 PolarHBondContact O-N 2.96Å; P150-T154 PolarHBondContact O-OG1 2.87Å; P150-A182 HydrophobicContact CG-CB 4.04Å; P150-N183 WeakPolarHBondContact CD-OD1 3.31Å; P150-I186 HydrophobicContact CB-CD1 4.09Å; P150-I186 HydrophobicContact CB-CG1 3.63Å; P150-I186 HydrophobicContact CG-CG1 4.34Å
151G98.8Very high98Very high43 Ų4330.1 Ų30.144%0.44318%0.178SC..Hα-helixtrans-68.9-35.9179.700000114.8T149 K155T149-G151 PolarHBondContact O-N 3.02Å; G151-K155 WeakPolarHBondContact O-CG 3.39Å; G151-K155 PolarHBondContact O-N 3.5Å
152S98.6Very high98Very high38 Ų3838 Ų3827%0.26621%0.212SC..Hα-helixtrans-76.7-34.8175.460.80000111.9T149 K155 M156T149-S152 PolarHBondContact N-OG 3.5Å; T149-S152 PolarHBondContact O-N 3.18Å; T149-S152 PolarHBondContact O-OG 3.31Å; T149-S152 VanDerWaalsContact O-OG 3.1Å; S152-K155 PolarHBondContact O-N 3.02Å; S152-M156 WeakPolarHBondContact O-CB 3.27Å; S152-M156 PolarHBondContact O-N 2.85Å
153M98.8Very high98Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-60.2-48.6172.2-178.855.766.200111.1V111 T149 P150 K155 M156 L157 V171 N183 I186V111-M153 HydrophobicContact CG1-CE 4.49Å; T149-M153 PolarHBondContact O-N 3.4Å; P150-M153 PolarHBondContact O-N 2.98Å; M153-K155 PolarHBondContact O-N 3.1Å; M153-M156 HydrophobicContact CE-CE 4.1Å; M153-M156 PolarHBondContact O-N 2.93Å; M153-M156 HydrophobicContact SD-CE 3.37Å; M153-M156 WeakPolarHBondContact SD-CE 3.29Å; M153-L157 HydrophobicContact CG-CD1 3.99Å; M153-L157 HydrophobicContact CG-CG 4.4Å; M153-L157 WeakPolarHBondContact O-CB 3.23Å; M153-L157 WeakPolarHBondContact O-CG 3.37Å; M153-L157 PolarHBondContact O-N 2.81Å; M153-L157 HydrophobicContact SD-CD1 3.81Å; M153-L157 HydrophobicContact SD-CD2 4.31Å; M153-L157 HydrophobicContact SD-CG 3.82Å; M153-V171 HydrophobicContact SD-CG1 4.45Å; M153-N183 HydrophobicContact CB-CB 4.43Å; M153-N183 HydrophobicContact CE-CB 4.09Å; M153-N183 HydrophobicContact CG-CB 4.3Å; M153-I186 HydrophobicContact CB-CG2 4.43Å; M153-I186 HydrophobicContact CG-CB 4.33Å; M153-I186 HydrophobicContact CG-CG2 4.06Å
154T98.8Very high98.1Very high40 Ų4042 Ų4225%0.24523%0.23CC..Hα-helixtrans-55.6-52.2176.4-59.70000111.9P150 M156 L157 E158 I186 M190P150-T154 PolarHBondContact O-N 2.96Å; P150-T154 PolarHBondContact O-OG1 2.87Å; T154-M156 VanDerWaalsContact C-N 3.3Å; T154-M156 PolarHBondContact O-N 3.12Å; T154-L157 PolarHBondContact O-N 3.42Å; T154-E158 HydrophobicContact CG2-CG 4.25Å; T154-E158 WeakPolarHBondContact O-CB 3.47Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 3.29Å; T154-I186 VanDerWaalsContact OG1-CG2 3.27Å; T154-I186 WeakPolarHBondContact OG1-CG2 3.28Å; T154-M190 HydrophobicContact CG2-SD 4.23Å
155K98.8Very high98.3Very high138 Ų13843.3 Ų43.360%0.624%0.239SC*.Hα-helixtrans-60.2-40.5-179.6-70.9176.6-177.6-177.60112.6P121 G151 S152 M153 A159P121-K155 HydrophobicContact CG-CB 4.23Å; G151-K155 WeakPolarHBondContact O-CG 3.39Å; G151-K155 PolarHBondContact O-N 3.5Å; S152-K155 PolarHBondContact O-N 3.02Å; M153-K155 PolarHBondContact O-N 3.1Å; K155-A159 PolarHBondContact O-N 3.29Å
156M98.8Very high98.5Very high2 Ų244.8 Ų44.81%0.0125%0.248CC..Hα-helixtrans-63-50.2176.9-177.2-78.3-6600110.7V110 V111 V124 L141 S152 M153 T154 A159 V160V110-M156 HydrophobicContact CB-CE 4.26Å; V110-M156 HydrophobicContact CB-CG 4.13Å; V110-M156 HydrophobicContact CB-SD 4.22Å; V110-M156 HydrophobicContact CG2-CE 3.87Å; V110-M156 HydrophobicContact CG2-SD 4.48Å; V110-M156 VanDerWaalsContact O-CG 3.3Å; V110-M156 WeakPolarHBondContact O-CG 3.18Å; V111-M156 HydrophobicContact CG1-CB 4.33Å; V124-M156 HydrophobicContact CB-CG 4.29Å; V124-M156 HydrophobicContact CG1-CG 4.1Å; V124-M156 HydrophobicContact CG1-SD 3.94Å; V124-M156 HydrophobicContact CG2-CG 4.16Å; L141-M156 HydrophobicContact CB-CE 4.1Å; L141-M156 HydrophobicContact CB-SD 4.45Å; L141-M156 HydrophobicContact CD1-CE 4.04Å; L141-M156 HydrophobicContact CD1-SD 3.85Å; L141-M156 HydrophobicContact CD2-SD 4.44Å; L141-M156 HydrophobicContact CG-SD 4.48Å; S152-M156 WeakPolarHBondContact O-CB 3.27Å; S152-M156 PolarHBondContact O-N 2.85Å; M153-M156 HydrophobicContact CE-CE 4.1Å; M153-M156 PolarHBondContact O-N 2.93Å; M153-M156 HydrophobicContact SD-CE 3.37Å; M153-M156 WeakPolarHBondContact SD-CE 3.29Å; T154-M156 VanDerWaalsContact C-N 3.3Å; T154-M156 PolarHBondContact O-N 3.12Å; M156-A159 PolarHBondContact O-N 2.82Å; M156-V160 WeakPolarHBondContact O-CG2 3.41Å; M156-V160 PolarHBondContact O-N 3.29Å; M156-V160 VanDerWaalsContact O-N 3.08Å; M156-V160 HydrophobicContact SD-CG2 3.79Å
157L98.9Very high98.6Very high0 Ų049.6 Ų49.60%028%0.282CS..Hα-helixtrans-63.4-43.9179.7-69.5-179.1000112.1L141 M153 T154 A159 V160 T161 V171 A187 M190 I192L141-L157 HydrophobicContact CD1-CD2 3.64Å; M153-L157 HydrophobicContact CG-CD1 3.99Å; M153-L157 HydrophobicContact CG-CG 4.4Å; M153-L157 WeakPolarHBondContact O-CB 3.23Å; M153-L157 WeakPolarHBondContact O-CG 3.37Å; M153-L157 PolarHBondContact O-N 2.81Å; M153-L157 HydrophobicContact SD-CD1 3.81Å; M153-L157 HydrophobicContact SD-CD2 4.31Å; M153-L157 HydrophobicContact SD-CG 3.82Å; T154-L157 PolarHBondContact O-N 3.42Å; L157-A159 PolarHBondContact O-N 2.87Å; L157-V160 PolarHBondContact O-N 3.01Å; L157-V160 VanDerWaalsContact O-N 3.1Å; L157-T161 WeakPolarHBondContact O-CB 3.29Å; L157-T161 VanDerWaalsContact O-CG2 3.28Å; L157-T161 WeakPolarHBondContact O-CG2 3.16Å; L157-T161 PolarHBondContact O-N 3.31Å; L157-T161 PolarHBondContact O-OG1 2.94Å; L157-V171 HydrophobicContact CD2-CG1 4.4Å; L157-A187 HydrophobicContact CD1-CB 3.94Å; L157-M190 HydrophobicContact CB-CE 3.53Å; L157-M190 HydrophobicContact CB-SD 3.63Å; L157-M190 HydrophobicContact CD1-CB 4.42Å; L157-M190 HydrophobicContact CD1-SD 3.68Å; L157-M190 HydrophobicContact CG-SD 4.28Å; L157-I192 HydrophobicContact CD1-CD1 3.86Å; L157-I192 HydrophobicContact CD2-CD1 3.42Å; L157-I192 VanDerWaalsContact CD2-CD1 3.42Å; L157-I192 HydrophobicContact CG-CD1 4.26Å
158E98.8Very high98.7Very high98 Ų9847 Ų4746%0.45827%0.267SS..Hα-helixtrans-56.4-35.2176.5-77176.7168.600113T154 T161 K162 M190T154-E158 HydrophobicContact CG2-CG 4.25Å; T154-E158 WeakPolarHBondContact O-CB 3.47Å; T154-E158 WeakPolarHBondContact O-CG 3.39Å; T154-E158 PolarHBondContact O-N 3.29Å; E158-T161 PolarHBondContact O-OG1 2.91Å; E158-K162 WeakPolarHBondContact O-CD 3.41Å; E158-K162 VanDerWaalsContact O-CE 3.29Å; E158-K162 WeakPolarHBondContact O-CE 3.47Å; E158-K162 WeakPolarHBondContact O-CG 3.36Å; E158-M190 HydrophobicContact CG-CE 3.79Å
159A98.8Very high98.7Very high11 Ų1147.1 Ų47.19%0.09127%0.267CS..Hα-helixtrans-73.4-46.2175.500000111.4P121 A125 K155 M156 L157 K162P121-A159 HydrophobicContact CB-CB 3.52Å; A125-A159 HydrophobicContact CB-CB 4.28Å; K155-A159 PolarHBondContact O-N 3.29Å; M156-A159 PolarHBondContact O-N 2.82Å; L157-A159 PolarHBondContact O-N 2.87Å; A159-K162 PolarHBondContact O-N 2.85Å
160V98.9Very high98.7Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-67.4-40.1-177.2178.10000111.8V124 A125 A128 L141 M156 L157 K162 E163 V164 L169V124-V160 HydrophobicContact CB-CG2 4.25Å; V124-V160 HydrophobicContact CG1-CG2 3.83Å; A125-V160 HydrophobicContact CB-CG2 4.25Å; A128-V160 HydrophobicContact CB-CG1 4.01Å; L141-V160 HydrophobicContact CD1-CB 4.46Å; L141-V160 HydrophobicContact CD1-CG1 4.14Å; L141-V160 HydrophobicContact CD1-CG2 4.38Å; L141-V160 HydrophobicContact CD2-CG1 4.45Å; L141-V160 HydrophobicContact CD2-CG2 4.35Å; M156-V160 WeakPolarHBondContact O-CG2 3.41Å; M156-V160 PolarHBondContact O-N 3.29Å; M156-V160 VanDerWaalsContact O-N 3.08Å; M156-V160 HydrophobicContact SD-CG2 3.79Å; L157-V160 PolarHBondContact O-N 3.01Å; L157-V160 VanDerWaalsContact O-N 3.1Å; V160-K162 PolarHBondContact O-N 2.92Å; V160-K162 VanDerWaalsContact O-N 3.12Å; V160-E163 PolarHBondContact O-N 2.88Å; V160-V164 HydrophobicContact CG1-CB 4.33Å; V160-V164 HydrophobicContact CG1-CG2 4.48Å; V160-V164 PolarHBondContact O-N 3.11Å; V160-L169 HydrophobicContact CG1-CD1 3.83Å; V160-L169 HydrophobicContact CG1-CD2 3.71Å; V160-L169 HydrophobicContact CG1-CG 4.44Å
161T98.6Very high98.7Very high49 Ų4941.8 Ų41.830%0.30123%0.234SC..THydrogen-bonded Turntrans-68.7-11-177.657.20000113.8L157 E158 E163 V166 L169L157-T161 WeakPolarHBondContact O-CB 3.29Å; L157-T161 VanDerWaalsContact O-CG2 3.28Å; L157-T161 WeakPolarHBondContact O-CG2 3.16Å; L157-T161 PolarHBondContact O-N 3.31Å; L157-T161 PolarHBondContact O-OG1 2.94Å; E158-T161 PolarHBondContact O-OG1 2.91Å; T161-E163 VanDerWaalsContact C-N 3.31Å; T161-V166 HydrophobicContact CG2-CG2 3.76Å; T161-L169 HydrophobicContact CG2-CD1 3.85Å
162K98.6Very high98.7Very high165 Ų16541.4 Ų41.472%0.71722%0.221SC*.THydrogen-bonded Turntrans-76.1-21.4169.9-67.9168.2-172.9171.30112.5E158 A159 V160E158-K162 WeakPolarHBondContact O-CD 3.41Å; E158-K162 VanDerWaalsContact O-CE 3.29Å; E158-K162 WeakPolarHBondContact O-CE 3.47Å; E158-K162 WeakPolarHBondContact O-CG 3.36Å; A159-K162 PolarHBondContact O-N 2.85Å; V160-K162 PolarHBondContact O-N 2.92Å; V160-K162 VanDerWaalsContact O-N 3.12Å
163E98.6Very high98.7Very high86 Ų8639.7 Ų39.740%0.40221%0.209SC..THydrogen-bonded Turntrans-116.7-29-170.4-59.3-64166.600113.2A125 K129 V160 T161A125-E163 HydrophobicContact CB-CG 4.23Å; K129-E163 HydrophobicContact CB-CB 4.11Å; K129-E163 HydrophobicContact CD-CB 4.19Å; K129-E163 HydrophobicContact CD-CG 4.41Å; K129-E163 VanDerWaalsContact CD-OE2 3.29Å; K129-E163 WeakPolarHBondContact CD-OE2 3.41Å; K129-E163 VanDerWaalsContact CE-OE2 3.27Å; K129-E163 WeakPolarHBondContact CE-OE2 3.41Å; K129-E163 HydrophobicContact CG-CB 4.33Å; K129-E163 IonicContact NZ-OE2 3.98Å; K129-E163 PolarHBondContact NZ-OE2 3.08Å; V160-E163 PolarHBondContact O-N 2.88Å; T161-E163 VanDerWaalsContact C-N 3.31Å
164V98.8Very high98.7Very high2 Ų240.6 Ų40.61%0.01221%0.213CC..SBendtrans-127.7132.9-178.4-1770000109.1A128 Y132 V160 A168 L169A128-V164 HydrophobicContact CB-CG2 4.17Å; Y132-V164 HydrophobicContact CD1-CG1 4.41Å; Y132-V164 HydrophobicContact CD2-CG1 4.04Å; Y132-V164 HydrophobicContact CG-CG1 3.97Å; Y132-V164 HydrophobicContact CG-CG2 4.47Å; V160-V164 HydrophobicContact CG1-CB 4.33Å; V160-V164 HydrophobicContact CG1-CG2 4.48Å; V160-V164 PolarHBondContact O-N 3.11Å; V164-A168 HydrophobicContact CG1-CB 4.23Å; V164-L169 HydrophobicContact CB-CD2 3.96Å; V164-L169 HydrophobicContact CB-CG 4.48Å; V164-L169 HydrophobicContact CG1-CD2 3.58Å; V164-L169 HydrophobicContact CG1-CG 4.09Å
165P98.6Very high98.6Very high52 Ų5240.9 Ų40.934%0.33821%0.213SC..  trans-63.4139.4179.725.9-33.6000111.2Y132 S167 A168Y132-P165 HydrophobicContact CE1-CG 4.21Å; Y132-P165 HydrophobicContact CE2-CG 4.29Å; Y132-P165 WeakPolarHBondContact OH-CG 3.35Å; P165-S167 PolarHBondContact O-N 2.99Å; P165-S167 VanDerWaalsContact O-N 3.1Å; P165-A168 HydrophobicContact CG-CB 4.02Å; P165-A168 PolarHBondContact O-N 3.34Å
166V98.6Very high98.4Very high47 Ų4735.2 Ų35.229%0.28519%0.19SC..G310 helixtrans-53.5-34.9-178.7177.70000112.6T161 A168 L169 G191 I192T161-V166 HydrophobicContact CG2-CG2 3.76Å; V166-A168 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 2.96Å; V166-L169 VanDerWaalsContact O-N 3.09Å; V166-G191 VanDerWaalsContact CG1-C 3.4Å; V166-G191 VanDerWaalsContact CG1-O 3.24Å; V166-G191 WeakPolarHBondContact CG1-O 3.32Å; V166-I192 HydrophobicContact CG1-CG1 4.24Å
167S98.5Very high98.3Very high102 Ų10242.2 Ų42.271%0.71322%0.217SC*.G310 helixtrans-66.4-14.3178.159.20000114.5P165P165-S167 PolarHBondContact O-N 2.99Å; P165-S167 VanDerWaalsContact O-N 3.1Å
168A98.8Very high98.2Very high4 Ų444.6 Ų44.63%0.03324%0.242CC..G310 helixtrans-107.314.617600000111.9Y132 Y137 E138 I139 V164 P165 V166Y132-A168 HydrophobicContact CD2-CB 4.02Å; Y132-A168 HydrophobicContact CE2-CB 3.52Å; Y137-A168 WeakPolarHBondContact O-CB 3.24Å; E138-A168 CarbonylContact C-O 3.6Å; E138-A168 VanDerWaalsContact CA-O 3.31Å; E138-A168 WeakPolarHBondContact CA-O 3.48Å; I139-A168 PolarHBondContact N-O 2.92Å; V164-A168 HydrophobicContact CG1-CB 4.23Å; P165-A168 HydrophobicContact CG-CB 4.02Å; P165-A168 PolarHBondContact O-N 3.34Å; V166-A168 PolarHBondContact O-N 3.38Å
169L98.9Very high98.2Very high1 Ų142.8 Ų42.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-111.3140.5178.9-63.8178.1000111I139 L141 V160 T161 V164 V166 I192I139-L169 HydrophobicContact CB-CD2 4.21Å; L141-L169 HydrophobicContact CD1-CD2 4.22Å; V160-L169 HydrophobicContact CG1-CD1 3.83Å; V160-L169 HydrophobicContact CG1-CD2 3.71Å; V160-L169 HydrophobicContact CG1-CG 4.44Å; T161-L169 HydrophobicContact CG2-CD1 3.85Å; V164-L169 HydrophobicContact CB-CD2 3.96Å; V164-L169 HydrophobicContact CB-CG 4.48Å; V164-L169 HydrophobicContact CG1-CD2 3.58Å; V164-L169 HydrophobicContact CG1-CG 4.09Å; V166-L169 PolarHBondContact O-N 2.96Å; V166-L169 VanDerWaalsContact O-N 3.09Å; L169-I192 HydrophobicContact CB-CD1 4.24Å; L169-I192 HydrophobicContact CB-CG1 4.39Å
170A98.9Very high98.2Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-126.9161.5168.100000109.9E138 I139 L141 V194E138-A170 HydrophobicContact CG-CB 4.26Å; E138-A170 WeakPolarHBondContact OE1-CB 3.43Å; I139-A170 PolarHBondContact O-N 3.32Å; L141-A170 PolarHBondContact N-O 3.01Å; A170-V194 VanDerWaalsContact CA-O 3.26Å; A170-V194 WeakPolarHBondContact CA-O 3.37Å; A170-V194 HydrophobicContact CB-CB 3.72Å; A170-V194 HydrophobicContact CB-CG1 3.66Å
171V98.9Very high98.1Very high0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-118.8141.8171.7-68.70000111.7M153 L157 I184 A187 I192 V194 V195 D196M153-V171 HydrophobicContact SD-CG1 4.45Å; L157-V171 HydrophobicContact CD2-CG1 4.4Å; V171-I184 HydrophobicContact CG2-CG1 4.38Å; V171-A187 HydrophobicContact CB-CB 4.3Å; V171-A187 HydrophobicContact CG1-CB 3.67Å; V171-A187 HydrophobicContact CG2-CB 3.74Å; V171-I192 HydrophobicContact CG1-CD1 3.77Å; V171-I192 HydrophobicContact CG1-CG2 4.42Å; V171-I192 HydrophobicContact CG2-CG2 4.44Å; V171-V194 PolarHBondContact N-O 2.92Å; V171-V194 VanDerWaalsContact N-O 3.1Å; V171-V195 HydrophobicContact CG2-CB 4.47Å; V171-V195 HydrophobicContact CG2-CG1 4.36Å; V171-V195 HydrophobicContact CG2-CG2 3.96Å; V171-V195 WeakPolarHBondContact O-CA 3.46Å; V171-D196 PolarHBondContact O-N 3.49Å
172H98.8Very high98.2Very high35 Ų3544.5 Ų44.516%0.16225%0.245CC..EExtended strand (participates in β ladder)trans-126.5102.7175.4178.399.6000108.8S140 L141 G142 D143 H174 D196 N214S140-H172 WeakPolarHBondContact OG-CB 3.46Å; L141-H172 PolarHBondContact O-N 3.05Å; G142-H172 CarbonylContact C-O 3.56Å; G142-H172 VanDerWaalsContact CA-O 3.29Å; G142-H172 WeakPolarHBondContact CA-O 3.44Å; D143-H172 PolarHBondContact N-O 3.4Å; H172-H174 AromaticContact CD2-CD2 3.66Å; H172-H174 AromaticContact CD2-NE2 3.79Å; H172-H174 AromaticContact NE2-CD2 3.2Å; H172-H174 PolarHBondContact NE2-CD2 3.08Å; H172-H174 AromaticContact NE2-NE2 3.01Å; H172-H174 PolarHBondContact NE2-NE2 3.07Å; H172-D196 HydrophobicContact CB-CB 3.84Å; H172-D196 VanDerWaalsContact ND1-CB 3.29Å; H172-D196 WeakPolarHBondContact ND1-CB 3.5Å; H172-D196 IonicContact ND1-OD2 3.23Å; H172-N214 PolarHBondContact CE1-OD1 3.16Å; H172-N214 PolarHBondContact NE2-OD1 3.12Å
173C98.4Very high98.2Very high1 Ų136.6 Ų36.61%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-108.6124.4-176.5-60.60000110.8A180 I184 V215C173-A180 HydrophobicContact CB-CB 3.77Å; C173-I184 HydrophobicContact CB-CD1 4.33Å; C173-I184 HydrophobicContact CB-CG1 4.22Å; C173-V215 PolarHBondContact O-N 3.39Å
174H97.9Very high98.2Very high20 Ų2032.5 Ų32.59%0.09319%0.191CC..BIsolated β-bridgetrans-79.3146.5165-76.9-160.2000110.7D143 T144 G146 H172 G213 N214D143-H174 WeakPolarHBondContact O-CB 3.34Å; D143-H174 PolarHBondContact O-N 2.93Å; T144-H174 PolarHBondContact O-CE1 3.01Å; T144-H174 VanDerWaalsContact O-CE1 3.25Å; T144-H174 PolarHBondContact O-ND1 3.2Å; G146-H174 WeakPolarHBondContact CA-O 3.41Å; H172-H174 AromaticContact CD2-CD2 3.66Å; H172-H174 AromaticContact CD2-NE2 3.79Å; H172-H174 AromaticContact NE2-CD2 3.2Å; H172-H174 PolarHBondContact NE2-CD2 3.08Å; H172-H174 AromaticContact NE2-NE2 3.01Å; H172-H174 PolarHBondContact NE2-NE2 3.07Å; H174-G213 CarbonylContact C-O 3.59Å; H174-G213 WeakPolarHBondContact CA-O 3.3Å; H174-G213 VanDerWaalsContact CB-O 3.24Å; H174-G213 WeakPolarHBondContact CB-O 3.33Å; H174-N214 PolarHBondContact CD2-OD1 3.34Å; H174-N214 PolarHBondContact NE2-OD1 2.89Å; H174-N214 VanDerWaalsContact NE2-OD1 3.08Å
175D97.2Very high98.2Very high46 Ų4635.4 Ų35.425%0.24621%0.206CC..  trans-101.622.6-178.7-157.143.8000112.7Y177 G178 Q179 A180 S212 G213D175-Y177 PolarHBondContact O-N 2.92Å; D175-Y177 VanDerWaalsContact O-N 3.13Å; D175-G178 PolarHBondContact O-N 2.82Å; D175-G178 WeakPolarHBondContact OD1-CA 3.17Å; D175-Q179 PolarHBondContact OD1-N 2.94Å; D175-A180 HydrophobicContact CB-CB 3.7Å; D175-A180 VanDerWaalsContact OD1-CB 3.32Å; D175-A180 WeakPolarHBondContact OD1-CB 3.27Å; D175-A180 PolarHBondContact OD1-N 3.17Å; D175-S212 VanDerWaalsContact C-OG 3.26Å; D175-S212 PolarHBondContact O-OG 3.38Å; D175-G213 PolarHBondContact N-O 3.25Å
176T95.1Very high98.2Very high19 Ų1934.2 Ų34.212%0.11720%0.197CC..THydrogen-bonded Turntrans-47.9-40.4179.1-44.80000112.5I145 C205 A208 A211 S212I145-T176 WeakPolarHBondContact O-CB 3.19Å; I145-T176 WeakPolarHBondContact O-CG2 3.43Å; I145-T176 PolarHBondContact O-OG1 3.45Å; T176-C205 HydrophobicContact CG2-CB 4.48Å; T176-A208 HydrophobicContact CG2-CB 3.88Å; T176-A211 HydrophobicContact CG2-CB 3.44Å; T176-A211 VanDerWaalsContact CG2-CB 3.44Å; T176-S212 WeakPolarHBondContact CA-OG 3.37Å; T176-S212 PolarHBondContact OG1-O 3Å
177Y95.9Very high98.2Very high148 Ų14832 Ų3258%0.5818%0.183SC*.THydrogen-bonded Turntrans-114.419.8-179.4-66-94.2000113.1G146 V147 D175 Q179G146-Y177 WeakPolarHBondContact O-CB 3.39Å; G146-Y177 VanDerWaalsContact O-CD2 3.32Å; G146-Y177 WeakPolarHBondContact O-CD2 3.38Å; V147-Y177 HydrophobicContact CG1-CD2 4.01Å; V147-Y177 HydrophobicContact CG1-CE2 3.66Å; D175-Y177 PolarHBondContact O-N 2.92Å; D175-Y177 VanDerWaalsContact O-N 3.13Å; Y177-Q179 VanDerWaalsContact C-N 3.26Å; Y177-Q179 PolarHBondContact O-N 3.48Å; Y177-Q179 PolarHBondContact O-NE2 3.11Å
178G96.7Very high98.2Very high51 Ų5128.9 Ų28.953%0.52616%0.158SC..SBendtrans68.121.817800000114.5D175D175-G178 PolarHBondContact O-N 2.82Å; D175-G178 WeakPolarHBondContact OD1-CA 3.17Å
179Q98.3Very high98.2Very high59 Ų5935.3 Ų35.328%0.27619%0.188SC..  trans-99.7-8.3-175-57.9-54.7-65.700113.2G148 D175 Y177 L181 A182 N183G148-Q179 WeakPolarHBondContact O-CB 3.37Å; G148-Q179 VanDerWaalsContact O-CG 3.3Å; G148-Q179 WeakPolarHBondContact O-CG 3.46Å; D175-Q179 PolarHBondContact OD1-N 2.94Å; Y177-Q179 VanDerWaalsContact C-N 3.26Å; Y177-Q179 PolarHBondContact O-N 3.48Å; Y177-Q179 PolarHBondContact O-NE2 3.11Å; Q179-L181 PolarHBondContact O-N 3.39Å; Q179-A182 PolarHBondContact O-N 3.43Å; Q179-N183 WeakPolarHBondContact O-CB 3.36Å; Q179-N183 VanDerWaalsContact O-CG 3.28Å; Q179-N183 PolarHBondContact O-N 2.92Å; Q179-N183 PolarHBondContact O-ND2 3.38Å
180A98.4Very high98.2Very high0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-64.1-49.3-164.300000112.7C173 D175 A182 N183 I184 V215C173-A180 HydrophobicContact CB-CB 3.77Å; D175-A180 HydrophobicContact CB-CB 3.7Å; D175-A180 VanDerWaalsContact OD1-CB 3.32Å; D175-A180 WeakPolarHBondContact OD1-CB 3.27Å; D175-A180 PolarHBondContact OD1-N 3.17Å; A180-A182 VanDerWaalsContact C-N 3.32Å; A180-A182 PolarHBondContact O-N 3Å; A180-N183 PolarHBondContact O-N 3.13Å; A180-I184 WeakPolarHBondContact O-CB 3.3Å; A180-I184 WeakPolarHBondContact O-CD1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.39Å; A180-I184 PolarHBondContact O-N 3.33Å; A180-V215 HydrophobicContact CB-CB 3.63Å; A180-V215 HydrophobicContact CB-CG2 3.68Å
181L98.8Very high98.2Very high55 Ų5540 Ų4029%0.28822%0.222SC..Hα-helixtrans-63.4-37179.1-71.4-178.3000112.7Q179 I184 L185 V215 D219 V220 M223Q179-L181 PolarHBondContact O-N 3.39Å; L181-I184 HydrophobicContact CD2-CD1 4.5Å; L181-I184 PolarHBondContact O-N 3.48Å; L181-L185 WeakPolarHBondContact O-CB 3.31Å; L181-L185 PolarHBondContact O-N 2.96Å; L181-V215 HydrophobicContact CD2-CG2 4.05Å; L181-V215 HydrophobicContact CG-CG2 4.28Å; L181-D219 HydrophobicContact CD1-CB 4.28Å; L181-V220 HydrophobicContact CD2-CB 4.38Å; L181-V220 HydrophobicContact CD2-CG2 3.78Å; L181-M223 HydrophobicContact CB-SD 4.35Å; L181-M223 HydrophobicContact CD2-CE 4.18Å; L181-M223 HydrophobicContact CD2-SD 4.23Å
182A98.8Very high98.2Very high41 Ų4140.1 Ų40.134%0.33922%0.223SC..Hα-helixtrans-65.5-42.8176.600000111.4P150 Q179 A180 L185 I186P150-A182 HydrophobicContact CG-CB 4.04Å; Q179-A182 PolarHBondContact O-N 3.43Å; A180-A182 VanDerWaalsContact C-N 3.32Å; A180-A182 PolarHBondContact O-N 3Å; A182-L185 PolarHBondContact O-N 3.31Å; A182-I186 PolarHBondContact O-N 2.97Å; A182-I186 VanDerWaalsContact O-N 3.14Å
183N98.9Very high98.2Very high0 Ų043 Ų430%025%0.247CC..Hα-helixtrans-67.2-38.8176.6-68.4-18.6000112.1G148 T149 P150 M153 Q179 A180 I186 A187G148-N183 VanDerWaalsContact C-ND2 3.28Å; G148-N183 PolarHBondContact O-ND2 3.47Å; T149-N183 WeakPolarHBondContact CA-OD1 3.35Å; T149-N183 PolarHBondContact O-OD1 3Å; P150-N183 WeakPolarHBondContact CD-OD1 3.31Å; M153-N183 HydrophobicContact CB-CB 4.43Å; M153-N183 HydrophobicContact CE-CB 4.09Å; M153-N183 HydrophobicContact CG-CB 4.3Å; Q179-N183 WeakPolarHBondContact O-CB 3.36Å; Q179-N183 VanDerWaalsContact O-CG 3.28Å; Q179-N183 PolarHBondContact O-N 2.92Å; Q179-N183 PolarHBondContact O-ND2 3.38Å; A180-N183 PolarHBondContact O-N 3.13Å; N183-I186 WeakPolarHBondContact O-CB 3.37Å; N183-I186 PolarHBondContact O-N 3Å; N183-A187 PolarHBondContact O-N 2.94Å
184I98.9Very high98.2Very high0 Ų045.1 Ų45.10%026%0.26CS..Hα-helixtrans-63.7-42174-68.8160.6000110.5V171 C173 A180 L181 I186 A187 L188 V195 V215 V220 M223V171-I184 HydrophobicContact CG2-CG1 4.38Å; C173-I184 HydrophobicContact CB-CD1 4.33Å; C173-I184 HydrophobicContact CB-CG1 4.22Å; A180-I184 WeakPolarHBondContact O-CB 3.3Å; A180-I184 WeakPolarHBondContact O-CD1 3.31Å; A180-I184 WeakPolarHBondContact O-CG1 3.39Å; A180-I184 PolarHBondContact O-N 3.33Å; L181-I184 HydrophobicContact CD2-CD1 4.5Å; L181-I184 PolarHBondContact O-N 3.48Å; I184-I186 VanDerWaalsContact C-N 3.3Å; I184-I186 PolarHBondContact O-N 3.13Å; I184-A187 WeakPolarHBondContact O-CB 3.25Å; I184-A187 PolarHBondContact O-N 3.36Å; I184-A187 VanDerWaalsContact O-N 3.1Å; I184-L188 HydrophobicContact CG2-CD1 4.1Å; I184-L188 HydrophobicContact CG2-CG 4.29Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.43Å; I184-L188 PolarHBondContact O-N 2.84Å; I184-V195 HydrophobicContact CD1-CG1 3.73Å; I184-V195 HydrophobicContact CG1-CG1 3.87Å; I184-V195 HydrophobicContact CG2-CG1 3.93Å; I184-V195 HydrophobicContact CG2-CG2 3.82Å; I184-V215 HydrophobicContact CD1-CB 4.46Å; I184-V215 HydrophobicContact CD1-CG1 3.93Å; I184-V215 HydrophobicContact CD1-CG2 4.3Å; I184-V220 HydrophobicContact CD1-CG2 3.99Å; I184-M223 HydrophobicContact CB-CE 4.48Å; I184-M223 HydrophobicContact CG2-CE 3.87Å
185L98.9Very high98.2Very high62 Ų6245.8 Ų45.833%0.32527%0.265SS..Hα-helixtrans-58.9-42176-178.563.7000111.8L181 A182 L188 Q189 L227L181-L185 WeakPolarHBondContact O-CB 3.31Å; L181-L185 PolarHBondContact O-N 2.96Å; A182-L185 PolarHBondContact O-N 3.31Å; L185-L188 PolarHBondContact O-N 2.97Å; L185-Q189 VanDerWaalsContact O-CG 3.31Å; L185-Q189 WeakPolarHBondContact O-CG 3.37Å; L185-Q189 PolarHBondContact O-N 3.44Å; L185-L227 HydrophobicContact CD1-CD1 4.08Å
186I98.8Very high98.3Very high28 Ų2844.6 Ų44.614%0.14426%0.259CS..Hα-helixtrans-60.5-46.6172.6-66.2-51000111.2P150 M153 T154 A182 N183 I184 L188 Q189 M190P150-I186 HydrophobicContact CB-CD1 4.09Å; P150-I186 HydrophobicContact CB-CG1 3.63Å; P150-I186 HydrophobicContact CG-CG1 4.34Å; M153-I186 HydrophobicContact CB-CG2 4.43Å; M153-I186 HydrophobicContact CG-CB 4.33Å; M153-I186 HydrophobicContact CG-CG2 4.06Å; T154-I186 VanDerWaalsContact OG1-CG2 3.27Å; T154-I186 WeakPolarHBondContact OG1-CG2 3.28Å; A182-I186 PolarHBondContact O-N 2.97Å; A182-I186 VanDerWaalsContact O-N 3.14Å; N183-I186 WeakPolarHBondContact O-CB 3.37Å; N183-I186 PolarHBondContact O-N 3Å; I184-I186 VanDerWaalsContact C-N 3.3Å; I184-I186 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 3.22Å; I186-Q189 WeakPolarHBondContact O-CB 3.49Å; I186-Q189 PolarHBondContact O-N 3.37Å; I186-M190 HydrophobicContact CG2-SD 4.06Å; I186-M190 WeakPolarHBondContact O-CG 3.37Å; I186-M190 PolarHBondContact O-N 3.26Å
187A98.8Very high98.5Very high0 Ų045.7 Ų45.70%027%0.268CS..Hα-helixtrans-58.6-43.9178.200000112.1L157 V171 N183 I184 M190 G191 I192L157-A187 HydrophobicContact CD1-CB 3.94Å; V171-A187 HydrophobicContact CB-CB 4.3Å; V171-A187 HydrophobicContact CG1-CB 3.67Å; V171-A187 HydrophobicContact CG2-CB 3.74Å; N183-A187 PolarHBondContact O-N 2.94Å; I184-A187 WeakPolarHBondContact O-CB 3.25Å; I184-A187 PolarHBondContact O-N 3.36Å; I184-A187 VanDerWaalsContact O-N 3.1Å; A187-M190 CarbonylContact O-C 3.53Å; A187-M190 PolarHBondContact O-N 2.94Å; A187-M190 VanDerWaalsContact O-N 3.14Å; A187-G191 PolarHBondContact O-N 2.99Å; A187-I192 HydrophobicContact CB-CB 4.17Å; A187-I192 HydrophobicContact CB-CD1 4.13Å; A187-I192 WeakPolarHBondContact O-CB 3.31Å; A187-I192 PolarHBondContact O-N 2.85Å
188L98.8Very high98.6Very high36 Ų3639.8 Ų39.819%0.18825%0.248CC..Hα-helixtrans-60.9-44175-66.7169.3000111.7I184 L185 I186 M190 G191 I192 M223 L224 I229I184-L188 HydrophobicContact CG2-CD1 4.1Å; I184-L188 HydrophobicContact CG2-CG 4.29Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.43Å; I184-L188 PolarHBondContact O-N 2.84Å; L185-L188 PolarHBondContact O-N 2.97Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 3.22Å; L188-M190 PolarHBondContact O-N 3.26Å; L188-G191 PolarHBondContact O-N 3.47Å; L188-I192 WeakPolarHBondContact CD2-O 3.19Å; L188-M223 HydrophobicContact CD1-CE 3.96Å; L188-L224 HydrophobicContact CD1-CD2 3.56Å; L188-L224 HydrophobicContact CD2-CD2 4.17Å; L188-I229 HydrophobicContact CD1-CD1 4.39Å
189Q98.8Very high98.7Very high140 Ų14038.2 Ų38.265%0.65423%0.228SC*.Hα-helixtrans-62.9-26.6176.4-74.1175.5-24.600112.7L185 I186 G191L185-Q189 VanDerWaalsContact O-CG 3.31Å; L185-Q189 WeakPolarHBondContact O-CG 3.37Å; L185-Q189 PolarHBondContact O-N 3.44Å; I186-Q189 WeakPolarHBondContact O-CB 3.49Å; I186-Q189 PolarHBondContact O-N 3.37Å; Q189-G191 VanDerWaalsContact C-N 3.29Å
190M98.6Very high98.7Very high53 Ų5335.4 Ų35.426%0.26122%0.215SC..THydrogen-bonded Turntrans-88.36.6174.4-64.2-176.173.100113.4T154 L157 E158 I186 A187 L188T154-M190 HydrophobicContact CG2-SD 4.23Å; L157-M190 HydrophobicContact CB-CE 3.53Å; L157-M190 HydrophobicContact CB-SD 3.63Å; L157-M190 HydrophobicContact CD1-CB 4.42Å; L157-M190 HydrophobicContact CD1-SD 3.68Å; L157-M190 HydrophobicContact CG-SD 4.28Å; E158-M190 HydrophobicContact CG-CE 3.79Å; I186-M190 HydrophobicContact CG2-SD 4.06Å; I186-M190 WeakPolarHBondContact O-CG 3.37Å; I186-M190 PolarHBondContact O-N 3.26Å; A187-M190 CarbonylContact O-C 3.53Å; A187-M190 PolarHBondContact O-N 2.94Å; A187-M190 VanDerWaalsContact O-N 3.14Å; L188-M190 PolarHBondContact O-N 3.26Å
191G98.6Very high98.6Very high45 Ų4535.5 Ų35.546%0.46422%0.215SC..THydrogen-bonded Turntrans89.63.1173.800000115.3V166 A187 L188 Q189 S193V166-G191 VanDerWaalsContact CG1-C 3.4Å; V166-G191 VanDerWaalsContact CG1-O 3.24Å; V166-G191 WeakPolarHBondContact CG1-O 3.32Å; A187-G191 PolarHBondContact O-N 2.99Å; L188-G191 PolarHBondContact O-N 3.47Å; Q189-G191 VanDerWaalsContact C-N 3.29Å; G191-S193 PolarHBondContact O-N 3.27Å
192I98.8Very high98.4Very high4 Ų434.3 Ų34.32%0.02121%0.209CC..  trans-66.8134.6172.8-64.6-177.8000108.7L157 V166 L169 V171 A187 L188 V194L157-I192 HydrophobicContact CD1-CD1 3.86Å; L157-I192 HydrophobicContact CD2-CD1 3.42Å; L157-I192 VanDerWaalsContact CD2-CD1 3.42Å; L157-I192 HydrophobicContact CG-CD1 4.26Å; V166-I192 HydrophobicContact CG1-CG1 4.24Å; L169-I192 HydrophobicContact CB-CD1 4.24Å; L169-I192 HydrophobicContact CB-CG1 4.39Å; V171-I192 HydrophobicContact CG1-CD1 3.77Å; V171-I192 HydrophobicContact CG1-CG2 4.42Å; V171-I192 HydrophobicContact CG2-CG2 4.44Å; A187-I192 HydrophobicContact CB-CB 4.17Å; A187-I192 HydrophobicContact CB-CD1 4.13Å; A187-I192 WeakPolarHBondContact O-CB 3.31Å; A187-I192 PolarHBondContact O-N 2.85Å; L188-I192 WeakPolarHBondContact CD2-O 3.19Å; I192-V194 WeakPolarHBondContact CG2-O 3.41Å
193S98.6Very high97.8Very high95 Ų9534.5 Ų34.566%0.66422%0.215SC*.  trans-121.64-174.352.70000113.9G191G191-S193 PolarHBondContact O-N 3.27Å
194V98.8Very high96.9Very high46 Ų4636.4 Ų36.428%0.27924%0.235SC..EExtended strand (participates in β ladder)trans-125127.9178.7-174.20000109.9A170 V171 I192A170-V194 VanDerWaalsContact CA-O 3.26Å; A170-V194 WeakPolarHBondContact CA-O 3.37Å; A170-V194 HydrophobicContact CB-CB 3.72Å; A170-V194 HydrophobicContact CB-CG1 3.66Å; V171-V194 PolarHBondContact N-O 2.92Å; V171-V194 VanDerWaalsContact N-O 3.1Å; I192-V194 WeakPolarHBondContact CG2-O 3.41Å
195V98.8Very high95.6Very high33 Ų3336.9 Ų36.920%0.224%0.238CC..EExtended strand (participates in β ladder)trans-135.1123.1-174.41800000109.2V171 I184 V220V171-V195 HydrophobicContact CG2-CB 4.47Å; V171-V195 HydrophobicContact CG2-CG1 4.36Å; V171-V195 HydrophobicContact CG2-CG2 3.96Å; V171-V195 WeakPolarHBondContact O-CA 3.46Å; I184-V195 HydrophobicContact CD1-CG1 3.73Å; I184-V195 HydrophobicContact CG1-CG1 3.87Å; I184-V195 HydrophobicContact CG2-CG1 3.93Å; I184-V195 HydrophobicContact CG2-CG2 3.82Å; V195-V220 HydrophobicContact CG1-CG1 4.26Å
196D98.8Very high94.3Very high22 Ų2239.1 Ų39.112%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-82140172.2-65-22.5000110.3R104 Y106 S140 V171 H172R104-D196 IonicContact CZ-OD1 2.75Å; R104-D196 VanDerWaalsContact CZ-OD1 3.23Å; R104-D196 IonicContact CZ-OD2 3.37Å; R104-D196 IonicContact NH1-OD1 3.12Å; R104-D196 PolarHBondContact NH1-OD1 3.22Å; R104-D196 IonicContact NH1-OD2 3.83Å; R104-D196 PolarHBondContact NH1-OD2 3.4Å; R104-D196 IonicContact NH2-OD1 2.79Å; R104-D196 PolarHBondContact NH2-OD1 3.14Å; R104-D196 IonicContact NH2-OD2 3.26Å; R104-D196 PolarHBondContact NH2-OD2 2.91Å; Y106-D196 VanDerWaalsContact CE1-OD2 3.29Å; Y106-D196 WeakPolarHBondContact CE1-OD2 3.34Å; S140-D196 WeakPolarHBondContact CB-OD2 3.47Å; S140-D196 PolarHBondContact OG-OD2 3.39Å; V171-D196 PolarHBondContact O-N 3.49Å; H172-D196 HydrophobicContact CB-CB 3.84Å; H172-D196 VanDerWaalsContact ND1-CB 3.29Å; H172-D196 WeakPolarHBondContact ND1-CB 3.5Å; H172-D196 IonicContact ND1-OD2 3.23Å
197S98.7Very high92.8Very high42 Ų4241.7 Ų41.729%0.29427%0.265SS..  trans-155.4168.7178.959.60000110T217S197-T217 WeakPolarHBondContact CB-OG1 3.24Å; S197-T217 WeakPolarHBondContact OG-CA 3.24Å; S197-T217 WeakPolarHBondContact OG-CB 3.2Å; S197-T217 WeakPolarHBondContact OG-CG2 3.39Å; S197-T217 PolarHBondContact OG-OG1 3.01Å
198S98.5Very high90.9Very high24 Ų2442.8 Ų42.817%0.16827%0.274CS..BIsolated β-bridgetrans-124.4135.4179.5-159.50000111.7A200 G201 L202 N214 V215 A216 T217S198-A200 PolarHBondContact O-N 3.29Å; S198-G201 PolarHBondContact O-N 2.88Å; S198-L202 WeakPolarHBondContact CB-O 3.29Å; S198-L202 WeakPolarHBondContact OG-CB 3.47Å; S198-L202 PolarHBondContact OG-O 3.4Å; S198-N214 VanDerWaalsContact CB-CB 3.43Å; S198-V215 PolarHBondContact N-O 3.1Å; S198-A216 CarbonylContact O-C 3.46Å; S198-A216 VanDerWaalsContact O-CA 3.32Å; S198-A216 WeakPolarHBondContact O-CA 3.45Å; S198-T217 PolarHBondContact N-OG1 2.86Å; S198-T217 PolarHBondContact O-N 2.87Å; S198-T217 PolarHBondContact O-OG1 3.1Å
199V98.4Very high88.9Confident18 Ų1850.8 Ų50.811%0.10931%0.31CS..G310 helixtrans-52.4133.6176.665.50000109.8L2 G201 L202 T217 L238 G242 I245L2-V199 HydrophobicContact CD2-CB 4.14Å; L2-V199 HydrophobicContact CD2-CG2 3.97Å; V199-G201 PolarHBondContact O-N 2.97Å; V199-L202 HydrophobicContact CG1-CD1 3.72Å; V199-L202 HydrophobicContact CG1-CG 4.27Å; V199-L202 WeakPolarHBondContact O-CB 3.46Å; V199-L202 VanDerWaalsContact O-CG 3.23Å; V199-L202 WeakPolarHBondContact O-CG 3.46Å; V199-L202 PolarHBondContact O-N 2.97Å; V199-T217 PolarHBondContact N-OG1 3.21Å; V199-L238 HydrophobicContact CG2-CD1 4.33Å; V199-G242 VanDerWaalsContact CG2-CA 3.44Å; V199-I245 HydrophobicContact CG1-CG2 4.16Å
200A97.6Very high86.9Confident0 Ų048.4 Ų48.40%032%0.324CS..G310 helixtrans52.819.4-179.400000115.3S198 L202 E218 C246 T253 S254S198-A200 PolarHBondContact O-N 3.29Å; A200-L202 VanDerWaalsContact C-N 3.34Å; A200-E218 WeakPolarHBondContact CA-OE1 3.39Å; A200-E218 WeakPolarHBondContact CA-OE2 3.27Å; A200-E218 VanDerWaalsContact N-CD 3.34Å; A200-E218 PolarHBondContact N-OE1 3.25Å; A200-E218 PolarHBondContact N-OE2 2.98Å; A200-C246 VanDerWaalsContact CB-SG 3.6Å; A200-T253 WeakPolarHBondContact CB-OG1 3.45Å; A200-S254 WeakPolarHBondContact O-CB 3.45Å; A200-S254 PolarHBondContact O-N 3.48Å
201G96.6Very high85.3Confident1 Ų147.3 Ų47.31%0.0132%0.323CS..G310 helixtrans62.137.7-173.300000113.1S198 V199 R251S198-G201 PolarHBondContact O-N 2.88Å; V199-G201 PolarHBondContact O-N 2.97Å; G201-R251 PolarHBondContact O-NH2 3.28Å
202L94.8Very high84.1Confident31 Ų3147.1 Ų47.116%0.16231%0.314CS..  trans-60.1157.4175.5-74.5-177.9000112.5S198 V199 A200 N214 I245 I249S198-L202 WeakPolarHBondContact CB-O 3.29Å; S198-L202 WeakPolarHBondContact OG-CB 3.47Å; S198-L202 PolarHBondContact OG-O 3.4Å; V199-L202 HydrophobicContact CG1-CD1 3.72Å; V199-L202 HydrophobicContact CG1-CG 4.27Å; V199-L202 WeakPolarHBondContact O-CB 3.46Å; V199-L202 VanDerWaalsContact O-CG 3.23Å; V199-L202 WeakPolarHBondContact O-CG 3.46Å; V199-L202 PolarHBondContact O-N 2.97Å; A200-L202 VanDerWaalsContact C-N 3.34Å; L202-N214 PolarHBondContact O-ND2 3.41Å; L202-I245 HydrophobicContact CD1-CB 4.43Å; L202-I245 HydrophobicContact CD1-CG1 3.71Å; L202-I245 HydrophobicContact CD1-CG2 3.82Å; L202-I245 HydrophobicContact CG-CG2 4.44Å; L202-I249 HydrophobicContact CD2-CD1 3.4Å
203G86.8Confident83.7Confident45 Ų4546.9 Ų46.946%0.46431%0.313SS..  trans94.5-168.4-170.900000112.3R251G203-R251 PolarHBondContact O-NH1 3.07Å
204G80.8Confident83.6Confident40 Ų4044 Ų4441%0.41229%0.29SS..  trans-173.4166.2-179.800000108.8
205C71.5Confident83.6Confident10 Ų1041.9 Ų41.97%0.06828%0.278CS..  trans-96.6114.6175.3-174.80000109.5T176 Y207 A208T176-C205 HydrophobicContact CG2-CB 4.48Å; C205-Y207 PolarHBondContact O-N 3.02Å; C205-Y207 VanDerWaalsContact O-N 3.07Å; C205-A208 HydrophobicContact CB-CB 4.07Å; C205-A208 CarbonylContact O-C 3.46Å; C205-A208 PolarHBondContact O-N 3.14Å; C205-A208 VanDerWaalsContact O-O 3.08Å
206P71.6Confident83.6Confident109 Ų10940.5 Ų40.571%0.70827%0.27SS*.THydrogen-bonded Turntrans-62.7-17.9177.225.8-33.3000112.5
207Y65.5Low83.6Confident82 Ų8239.9 Ų39.932%0.32227%0.267SS..THydrogen-bonded Turntrans-91.3-8.6178.8-49.2-65.3000113.7F73 N77 P114 Y115 I145 C205F73-Y207 AromaticContact CE2-CE2 3.81Å; F73-Y207 HydrophobicContact CE2-CE2 3.81Å; F73-Y207 AromaticContact CE2-CZ 3.88Å; F73-Y207 WeakPolarHBondContact CE2-OH 3.32Å; F73-Y207 HydrophobicContact CZ-CE2 4.46Å; N77-Y207 PolarHBondContact OD1-OH 3.18Å; P114-Y207 HydrophobicContact CB-CD1 4.34Å; P114-Y207 HydrophobicContact CB-CD2 4.48Å; P114-Y207 HydrophobicContact CB-CG 4.09Å; P114-Y207 HydrophobicContact CG-CD1 4.26Å; P114-Y207 HydrophobicContact CG-CD2 4.09Å; P114-Y207 HydrophobicContact CG-CE1 4.4Å; P114-Y207 HydrophobicContact CG-CE2 4.2Å; P114-Y207 HydrophobicContact CG-CG 4.09Å; Y115-Y207 HydrophobicContact CE1-CE1 4.5Å; Y115-Y207 AromaticContact CZ-CE1 3.81Å; Y115-Y207 WeakPolarHBondContact OH-CE1 3.48Å; I145-Y207 HydrophobicContact CG2-CD2 3.91Å; C205-Y207 PolarHBondContact O-N 3.02Å; C205-Y207 VanDerWaalsContact O-N 3.07Å
208A59.3Low83.6Confident22 Ų2238 Ų3818%0.18225%0.253CS..SBendtrans-134.793.7178.300000109.6T176 C205 G210 A211T176-A208 HydrophobicContact CG2-CB 3.88Å; C205-A208 HydrophobicContact CB-CB 4.07Å; C205-A208 CarbonylContact O-C 3.46Å; C205-A208 PolarHBondContact O-N 3.14Å; C205-A208 VanDerWaalsContact O-O 3.08Å; A208-G210 PolarHBondContact O-N 2.98Å; A208-A211 HydrophobicContact CB-CB 3.58Å; A208-A211 WeakPolarHBondContact O-CB 3.37Å; A208-A211 PolarHBondContact O-N 2.89Å
209Q56.8Low83.6Confident204 Ų20437.7 Ų37.795%0.95325%0.249SC*.THydrogen-bonded Turntrans-55.4123.4-179.7-78.5-173.9-16.600111.1A211Q209-A211 VanDerWaalsContact C-N 3.26Å; Q209-A211 PolarHBondContact O-N 2.71Å
210G57.7Low83.6Confident91 Ų9137 Ų3794%0.93825%0.246SC*.THydrogen-bonded Turntrans79.8-3.5178.600000115.4A208A208-G210 PolarHBondContact O-N 2.98Å
211A64.8Low83.6Confident30 Ų3037.4 Ų37.425%0.24825%0.248CC..  trans-78.7154178.200000112.3T176 A208 Q209T176-A211 HydrophobicContact CG2-CB 3.44Å; T176-A211 VanDerWaalsContact CG2-CB 3.44Å; A208-A211 HydrophobicContact CB-CB 3.58Å; A208-A211 WeakPolarHBondContact O-CB 3.37Å; A208-A211 PolarHBondContact O-N 2.89Å; Q209-A211 VanDerWaalsContact C-N 3.26Å; Q209-A211 PolarHBondContact O-N 2.71Å
212S73.4Confident83.8Confident40 Ų4044.4 Ų44.428%0.2828%0.275SS..  trans-53.1150.5166.823.90000111.1D175 T176D175-S212 VanDerWaalsContact C-OG 3.26Å; D175-S212 PolarHBondContact O-OG 3.38Å; T176-S212 WeakPolarHBondContact CA-OG 3.37Å; T176-S212 PolarHBondContact OG1-O 3Å
213G89.8Confident83.9Confident0 Ų044.5 Ų44.50%028%0.275CS..  trans-99.9-116.3172.200000110H174 D175H174-G213 CarbonylContact C-O 3.59Å; H174-G213 WeakPolarHBondContact CA-O 3.3Å; H174-G213 VanDerWaalsContact CB-O 3.24Å; H174-G213 WeakPolarHBondContact CB-O 3.33Å; D175-G213 PolarHBondContact N-O 3.25Å
214N96.6Very high84.5Confident34 Ų3443.1 Ų43.118%0.18226%0.257CS..BIsolated β-bridgetrans-60.2152.3176.2-55.2-61.6000112.4H172 H174 S198 L202H172-N214 PolarHBondContact CE1-OD1 3.16Å; H172-N214 PolarHBondContact NE2-OD1 3.12Å; H174-N214 PolarHBondContact CD2-OD1 3.34Å; H174-N214 PolarHBondContact NE2-OD1 2.89Å; H174-N214 VanDerWaalsContact NE2-OD1 3.08Å; S198-N214 VanDerWaalsContact CB-CB 3.43Å; L202-N214 PolarHBondContact O-ND2 3.41Å
215V98.2Very high85.4Confident2 Ų245 Ų451%0.01226%0.255CS..PPolyproline II helixtrans-59.3142.3164.570.60000111C173 A180 L181 I184 S198 V220C173-V215 PolarHBondContact O-N 3.39Å; A180-V215 HydrophobicContact CB-CB 3.63Å; A180-V215 HydrophobicContact CB-CG2 3.68Å; L181-V215 HydrophobicContact CD2-CG2 4.05Å; L181-V215 HydrophobicContact CG-CG2 4.28Å; I184-V215 HydrophobicContact CD1-CB 4.46Å; I184-V215 HydrophobicContact CD1-CG1 3.93Å; I184-V215 HydrophobicContact CD1-CG2 4.3Å; S198-V215 PolarHBondContact N-O 3.1Å; V215-V220 HydrophobicContact CB-CG2 4.37Å; V215-V220 HydrophobicContact CG1-CG2 3.72Å; V215-V220 HydrophobicContact CG2-CG2 3.72Å
216A98.5Very high86.6Confident4 Ų448 Ų483%0.03329%0.288CS..BIsolated β-bridgetrans-72.9128.5177.600000111.4S198 E218 D219 V220S198-A216 CarbonylContact O-C 3.46Å; S198-A216 VanDerWaalsContact O-CA 3.32Å; S198-A216 WeakPolarHBondContact O-CA 3.45Å; A216-E218 VanDerWaalsContact C-N 3.26Å; A216-E218 PolarHBondContact O-N 3.3Å; A216-D219 HydrophobicContact CB-CB 4.28Å; A216-D219 PolarHBondContact O-N 2.66Å; A216-D219 VanDerWaalsContact O-N 3.12Å; A216-V220 PolarHBondContact O-N 3.02Å; A216-V220 VanDerWaalsContact O-N 3.16Å
217T98.8Very high87.9Confident9 Ų947.2 Ų47.26%0.05528%0.277CS..Hα-helixtrans-58.7-38.3-179.4-53.90000112L7 S197 S198 V199 D219 V220 V221 L238L7-T217 HydrophobicContact CD2-CG2 4.45Å; S197-T217 WeakPolarHBondContact CB-OG1 3.24Å; S197-T217 WeakPolarHBondContact OG-CA 3.24Å; S197-T217 WeakPolarHBondContact OG-CB 3.2Å; S197-T217 WeakPolarHBondContact OG-CG2 3.39Å; S197-T217 PolarHBondContact OG-OG1 3.01Å; S198-T217 PolarHBondContact N-OG1 2.86Å; S198-T217 PolarHBondContact O-N 2.87Å; S198-T217 PolarHBondContact O-OG1 3.1Å; V199-T217 PolarHBondContact N-OG1 3.21Å; T217-D219 VanDerWaalsContact C-N 3.3Å; T217-D219 PolarHBondContact O-N 3.43Å; T217-V220 PolarHBondContact O-N 3.31Å; T217-V221 HydrophobicContact CG2-CG2 4.19Å; T217-V221 WeakPolarHBondContact O-CB 3.42Å; T217-V221 VanDerWaalsContact O-CG2 3.31Å; T217-V221 WeakPolarHBondContact O-CG2 3.27Å; T217-V221 PolarHBondContact O-N 2.91Å; T217-L238 HydrophobicContact CG2-CD1 4.16Å; T217-L238 HydrophobicContact CG2-CD2 3.57Å; T217-L238 HydrophobicContact CG2-CG 4.48Å
218E98.8Very high89.5Confident1 Ų146.6 Ų46.61%0.00530%0.295CS..Hα-helixtrans-60.3-40.5178.1-60.291.3147.300111.7A200 A216 V221 Y222 L235 L238 M239 S255 V257A200-E218 WeakPolarHBondContact CA-OE1 3.39Å; A200-E218 WeakPolarHBondContact CA-OE2 3.27Å; A200-E218 VanDerWaalsContact N-CD 3.34Å; A200-E218 PolarHBondContact N-OE1 3.25Å; A200-E218 PolarHBondContact N-OE2 2.98Å; A216-E218 VanDerWaalsContact C-N 3.26Å; A216-E218 PolarHBondContact O-N 3.3Å; E218-V221 PolarHBondContact O-N 3.27Å; E218-Y222 VanDerWaalsContact O-CB 3.25Å; E218-Y222 WeakPolarHBondContact O-CB 3.24Å; E218-Y222 PolarHBondContact O-N 3.45Å; E218-L235 HydrophobicContact CB-CD1 4.08Å; E218-L235 HydrophobicContact CG-CD1 4.44Å; E218-L238 HydrophobicContact CG-CD2 3.99Å; E218-L238 HydrophobicContact CG-CG 4.07Å; E218-M239 HydrophobicContact CG-CG 3.87Å; E218-S255 VanDerWaalsContact CB-OG 3.32Å; E218-S255 WeakPolarHBondContact CB-OG 3.42Å; E218-V257 HydrophobicContact CB-CB 4.38Å
219D98.8Very high91.4Very high18 Ų1849 Ų4910%0.09631%0.305CS..Hα-helixtrans-72.5-36.8-178.7-61.1-4.1000110.7L181 A216 T217 M223 S255 K256 V257L181-D219 HydrophobicContact CD1-CB 4.28Å; A216-D219 HydrophobicContact CB-CB 4.28Å; A216-D219 PolarHBondContact O-N 2.66Å; A216-D219 VanDerWaalsContact O-N 3.12Å; T217-D219 VanDerWaalsContact C-N 3.3Å; T217-D219 PolarHBondContact O-N 3.43Å; D219-M223 PolarHBondContact O-N 2.85Å; D219-M223 VanDerWaalsContact O-N 3.14Å; D219-S255 WeakPolarHBondContact OD1-CA 3.21Å; D219-S255 WeakPolarHBondContact OD1-CB 3.33Å; D219-S255 PolarHBondContact OD1-OG 3.13Å; D219-K256 PolarHBondContact OD1-N 3.28Å; D219-K256 PolarHBondContact OD2-N 2.69Å; D219-V257 HydrophobicContact CB-CG2 4.47Å; D219-V257 WeakPolarHBondContact OD1-CB 3.4Å; D219-V257 VanDerWaalsContact OD1-CG2 3.31Å; D219-V257 WeakPolarHBondContact OD1-CG2 3.41Å; D219-V257 PolarHBondContact OD1-N 2.96Å
220V98.9Very high93.4Very high5 Ų548.7 Ų48.73%0.0330%0.3CS..Hα-helixtrans-64.5-50.3172.1177.90000110.8L181 I184 V195 V215 A216 T217 Y222 M223 L224L181-V220 HydrophobicContact CD2-CB 4.38Å; L181-V220 HydrophobicContact CD2-CG2 3.78Å; I184-V220 HydrophobicContact CD1-CG2 3.99Å; V195-V220 HydrophobicContact CG1-CG1 4.26Å; V215-V220 HydrophobicContact CB-CG2 4.37Å; V215-V220 HydrophobicContact CG1-CG2 3.72Å; V215-V220 HydrophobicContact CG2-CG2 3.72Å; A216-V220 PolarHBondContact O-N 3.02Å; A216-V220 VanDerWaalsContact O-N 3.16Å; T217-V220 PolarHBondContact O-N 3.31Å; V220-Y222 VanDerWaalsContact C-N 3.31Å; V220-Y222 PolarHBondContact O-N 3.13Å; V220-M223 PolarHBondContact O-N 2.9Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.24Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.41Å; V220-L224 PolarHBondContact O-N 2.82Å
221V98.8Very high95.3Very high7 Ų746.2 Ų46.24%0.04227%0.267CS..Hα-helixtrans-62.2-40.4-179.4170.80000111T217 E218 M223 L224 H225 V233 L235 L238T217-V221 HydrophobicContact CG2-CG2 4.19Å; T217-V221 WeakPolarHBondContact O-CB 3.42Å; T217-V221 VanDerWaalsContact O-CG2 3.31Å; T217-V221 WeakPolarHBondContact O-CG2 3.27Å; T217-V221 PolarHBondContact O-N 2.91Å; E218-V221 PolarHBondContact O-N 3.27Å; V221-M223 PolarHBondContact O-N 2.88Å; V221-L224 PolarHBondContact O-N 3.24Å; V221-H225 VanDerWaalsContact CG1-CE1 3.44Å; V221-H225 WeakPolarHBondContact CG1-CE1 3.44Å; V221-H225 WeakPolarHBondContact O-CB 3.34Å; V221-H225 PolarHBondContact O-N 2.81Å; V221-V233 HydrophobicContact CG1-CB 4.36Å; V221-V233 HydrophobicContact CG1-CG1 4.37Å; V221-V233 HydrophobicContact CG2-CB 4.28Å; V221-V233 HydrophobicContact CG2-CG1 4.15Å; V221-L235 HydrophobicContact CB-CD1 4.31Å; V221-L235 HydrophobicContact CG1-CB 4.43Å; V221-L235 HydrophobicContact CG1-CD1 4.13Å; V221-L238 HydrophobicContact CG2-CD2 4.21Å
222Y98.8Very high96.9Very high148 Ų14847.4 Ų47.458%0.5828%0.282SS*.Hα-helixtrans-58.6-47.1175-176.5-88.4000112.1E218 V220 G226 L235 V257E218-Y222 VanDerWaalsContact O-CB 3.25Å; E218-Y222 WeakPolarHBondContact O-CB 3.24Å; E218-Y222 PolarHBondContact O-N 3.45Å; V220-Y222 VanDerWaalsContact C-N 3.31Å; V220-Y222 PolarHBondContact O-N 3.13Å; Y222-G226 PolarHBondContact O-N 2.85Å; Y222-L235 HydrophobicContact CD2-CD2 4.29Å; Y222-V257 HydrophobicContact CD1-CG2 4.17Å; Y222-V257 HydrophobicContact CD2-CG1 4.05Å; Y222-V257 HydrophobicContact CD2-CG2 3.88Å; Y222-V257 HydrophobicContact CG-CG2 3.6Å
223M98.8Very high98.1Very high34 Ų3446.1 Ų46.117%0.16727%0.272CS..Hα-helixtrans-60-48.8174.5-179.8-17571.200111.4L181 I184 L188 D219 V220 V221 H225 G226 L227L181-M223 HydrophobicContact CB-SD 4.35Å; L181-M223 HydrophobicContact CD2-CE 4.18Å; L181-M223 HydrophobicContact CD2-SD 4.23Å; I184-M223 HydrophobicContact CB-CE 4.48Å; I184-M223 HydrophobicContact CG2-CE 3.87Å; L188-M223 HydrophobicContact CD1-CE 3.96Å; D219-M223 PolarHBondContact O-N 2.85Å; D219-M223 VanDerWaalsContact O-N 3.14Å; V220-M223 PolarHBondContact O-N 2.9Å; V221-M223 PolarHBondContact O-N 2.88Å; M223-H225 PolarHBondContact O-N 3.29Å; M223-G226 PolarHBondContact O-N 3.23Å; M223-L227 HydrophobicContact CG-CD1 3.93Å; M223-L227 HydrophobicContact CG-CG 4.47Å; M223-L227 VanDerWaalsContact O-CG 3.3Å; M223-L227 WeakPolarHBondContact O-CG 3.37Å; M223-L227 PolarHBondContact O-N 3.17Å
224L98.8Very high98.5Very high16 Ų1649.2 Ų49.28%0.08429%0.289CS..Hα-helixtrans-62.1-43.8-178.3-68176.1000112.2L188 V220 V221 L227 G228 I229 T231L188-L224 HydrophobicContact CD1-CD2 3.56Å; L188-L224 HydrophobicContact CD2-CD2 4.17Å; V220-L224 HydrophobicContact CG1-CD1 3.82Å; V220-L224 HydrophobicContact CG1-CG 4.24Å; V220-L224 VanDerWaalsContact O-CG 3.3Å; V220-L224 WeakPolarHBondContact O-CG 3.41Å; V220-L224 PolarHBondContact O-N 2.82Å; V221-L224 PolarHBondContact O-N 3.24Å; L224-L227 PolarHBondContact O-N 3.21Å; L224-G228 PolarHBondContact O-N 3.12Å; L224-I229 HydrophobicContact CB-CB 4.31Å; L224-I229 HydrophobicContact CD2-CB 4.26Å; L224-I229 HydrophobicContact CD2-CD1 3.85Å; L224-I229 HydrophobicContact CD2-CG2 4.24Å; L224-I229 PolarHBondContact O-N 3.15Å; L224-T231 HydrophobicContact CB-CG2 3.81Å; L224-T231 HydrophobicContact CD1-CG2 3.59Å; L224-T231 HydrophobicContact CG-CG2 4.35Å
225H98.5Very high98.5Very high80 Ų8049.3 Ų49.337%0.3729%0.289SS..Hα-helixtrans-63-43.4175.2-72.9-175.4000111.7V221 M223 L227 G228 T231 V233V221-H225 VanDerWaalsContact CG1-CE1 3.44Å; V221-H225 WeakPolarHBondContact CG1-CE1 3.44Å; V221-H225 WeakPolarHBondContact O-CB 3.34Å; V221-H225 PolarHBondContact O-N 2.81Å; M223-H225 PolarHBondContact O-N 3.29Å; H225-L227 VanDerWaalsContact C-N 3.26Å; H225-L227 PolarHBondContact O-N 2.94Å; H225-G228 PolarHBondContact O-N 3.35Å; H225-T231 PolarHBondContact NE2-OG1 3.33Å; H225-V233 PolarHBondContact CE1-O 3.12Å; H225-V233 VanDerWaalsContact CE1-O 3.26Å
226G98.5Very high98.5Very high73 Ų7352.9 Ų52.975%0.75331%0.314SS*.Hα-helixtrans-62.9-30.5175.500000113.6Y222 M223 G228Y222-G226 PolarHBondContact O-N 2.85Å; M223-G226 PolarHBondContact O-N 3.23Å; G226-G228 VanDerWaalsContact C-N 3.27Å
227L98.6Very high98.5Very high92 Ų9257.3 Ų57.348%0.48233%0.332SS..THydrogen-bonded Turntrans-79.6-4.5172.5-69.2171.6000113.5L185 M223 L224 H225 I229L185-L227 HydrophobicContact CD1-CD1 4.08Å; M223-L227 HydrophobicContact CG-CD1 3.93Å; M223-L227 HydrophobicContact CG-CG 4.47Å; M223-L227 VanDerWaalsContact O-CG 3.3Å; M223-L227 WeakPolarHBondContact O-CG 3.37Å; M223-L227 PolarHBondContact O-N 3.17Å; L224-L227 PolarHBondContact O-N 3.21Å; H225-L227 VanDerWaalsContact C-N 3.26Å; H225-L227 PolarHBondContact O-N 2.94Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 HydrophobicContact CB-CD1 4.15Å; L227-I229 HydrophobicContact CB-CG1 4.17Å; L227-I229 HydrophobicContact CD1-CD1 4.27Å
228G98.5Very high98.5Very high69 Ų6956.9 Ų56.971%0.71133%0.33SS*.THydrogen-bonded Turntrans75.115.1-175.500000114.5L224 H225 G226L224-G228 PolarHBondContact O-N 3.12Å; H225-G228 PolarHBondContact O-N 3.35Å; G226-G228 VanDerWaalsContact C-N 3.27Å
229I98.7Very high98.4Very high73 Ų7358.1 Ų58.137%0.37434%0.336SS..  trans-83.3125.3177.8-61.9172.3000109.4L188 L224 L227 T231L188-I229 HydrophobicContact CD1-CD1 4.39Å; L224-I229 HydrophobicContact CB-CB 4.31Å; L224-I229 HydrophobicContact CD2-CB 4.26Å; L224-I229 HydrophobicContact CD2-CD1 3.85Å; L224-I229 HydrophobicContact CD2-CG2 4.24Å; L224-I229 PolarHBondContact O-N 3.15Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 HydrophobicContact CB-CD1 4.15Å; L227-I229 HydrophobicContact CB-CG1 4.17Å; L227-I229 HydrophobicContact CD1-CD1 4.27Å; I229-T231 PolarHBondContact O-N 3.03Å
230K98.3Very high98.4Very high197 Ų19761.5 Ų61.586%0.85735%0.354SS*.  trans-75.5122.2179.9-176.2178.6178.5-178.30110.9
231T98.4Very high98.4Very high39 Ų3961.5 Ų61.524%0.23936%0.355CS..  trans-109.2-24.2174.164.10000113.5L224 H225 I229 V233L224-T231 HydrophobicContact CB-CG2 3.81Å; L224-T231 HydrophobicContact CD1-CG2 3.59Å; L224-T231 HydrophobicContact CG-CG2 4.35Å; H225-T231 PolarHBondContact NE2-OG1 3.33Å; I229-T231 PolarHBondContact O-N 3.03Å; T231-V233 PolarHBondContact O-N 3.38Å; T231-V233 PolarHBondContact OG1-N 3Å
232G97.6Very high98.3Very high55 Ų5561.2 Ų61.257%0.56735%0.353SS*.  trans74.51.3-170.300000114.4
233V98.6Very high98.3Very high13 Ų1355.7 Ų55.78%0.07934%0.338CS..  trans-88.3130.8-178.3-179.30000111.1S5 L7 V221 H225 T231 L238S5-V233 CarbonylContact O-C 3.44Å; S5-V233 VanDerWaalsContact O-CA 3.24Å; S5-V233 WeakPolarHBondContact O-CA 3.49Å; L7-V233 HydrophobicContact CD2-CG2 3.86Å; L7-V233 HydrophobicContact CG-CG2 4.31Å; V221-V233 HydrophobicContact CG1-CB 4.36Å; V221-V233 HydrophobicContact CG1-CG1 4.37Å; V221-V233 HydrophobicContact CG2-CB 4.28Å; V221-V233 HydrophobicContact CG2-CG1 4.15Å; H225-V233 PolarHBondContact CE1-O 3.12Å; H225-V233 VanDerWaalsContact CE1-O 3.26Å; T231-V233 PolarHBondContact O-N 3.38Å; T231-V233 PolarHBondContact OG1-N 3Å; V233-L238 HydrophobicContact CG1-CB 4.32Å; V233-L238 HydrophobicContact CG1-CD2 4.13Å
234D98.4Very high98.3Very high64 Ų6458.8 Ų58.834%0.34235%0.351SS..  trans-82.4107.4167.5-177.5-35000109.3S5 S236 K237 L238S5-D234 PolarHBondContact O-N 3.38Å; D234-S236 VanDerWaalsContact C-N 3.29Å; D234-S236 PolarHBondContact O-N 2.83Å; D234-S236 WeakPolarHBondContact OD1-CB 3.38Å; D234-S236 PolarHBondContact OD1-N 3.25Å; D234-K237 HydrophobicContact CB-CB 4.19Å; D234-K237 HydrophobicContact CB-CD 4.15Å; D234-K237 HydrophobicContact CB-CG 4.28Å; D234-K237 PolarHBondContact O-N 3.05Å; D234-K237 PolarHBondContact OD1-N 2.85Å; D234-K237 WeakPolarHBondContact OD2-CD 3.04Å; D234-K237 WeakPolarHBondContact OD2-CE 3.46Å; D234-L238 WeakPolarHBondContact O-CB 3.27Å; D234-L238 PolarHBondContact O-N 3.27Å
235L98Very high98.2Very high37 Ų3760.2 Ų60.219%0.19436%0.358CS..Hα-helixtrans-63.4-33.6-176.5-176.958.8000112.4E218 V221 Y222 L238 M239 V257E218-L235 HydrophobicContact CB-CD1 4.08Å; E218-L235 HydrophobicContact CG-CD1 4.44Å; V221-L235 HydrophobicContact CB-CD1 4.31Å; V221-L235 HydrophobicContact CG1-CB 4.43Å; V221-L235 HydrophobicContact CG1-CD1 4.13Å; Y222-L235 HydrophobicContact CD2-CD2 4.29Å; L235-L238 HydrophobicContact CD1-CD2 4.41Å; L235-L238 PolarHBondContact O-N 3.49Å; L235-M239 WeakPolarHBondContact O-CG 3.25Å; L235-M239 PolarHBondContact O-N 3.27Å; L235-V257 HydrophobicContact CD2-CG1 4.31Å
236S97.3Very high98.2Very high76 Ų7656.9 Ų56.953%0.53134%0.343SS..Hα-helixtrans-66.7-49.6178.9-170.40000110.8D234 L238 M239 D240D234-S236 VanDerWaalsContact C-N 3.29Å; D234-S236 PolarHBondContact O-N 2.83Å; D234-S236 WeakPolarHBondContact OD1-CB 3.38Å; D234-S236 PolarHBondContact OD1-N 3.25Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 3.4Å; S236-M239 WeakPolarHBondContact O-CB 3.33Å; S236-M239 PolarHBondContact O-N 2.79Å; S236-D240 PolarHBondContact O-N 3.07Å
237K98.3Very high98.1Very high97 Ų9761.7 Ų61.742%0.42234%0.339SS..Hα-helixtrans-64.7-33.6178.1-68.9-178.5-174.5174.40112.7E4 D234 D240 A241E4-K237 WeakPolarHBondContact O-CD 3.42Å; D234-K237 HydrophobicContact CB-CB 4.19Å; D234-K237 HydrophobicContact CB-CD 4.15Å; D234-K237 HydrophobicContact CB-CG 4.28Å; D234-K237 PolarHBondContact O-N 3.05Å; D234-K237 PolarHBondContact OD1-N 2.85Å; D234-K237 WeakPolarHBondContact OD2-CD 3.04Å; D234-K237 WeakPolarHBondContact OD2-CE 3.46Å; K237-D240 PolarHBondContact O-N 3.09Å; K237-A241 PolarHBondContact O-N 3.39Å; K237-A241 VanDerWaalsContact O-N 3.15Å
238L98.5Very high98.1Very high0 Ų061.5 Ų61.50%034%0.342CS..Hα-helixtrans-63.5-46.5173.9-179.865.7000110.8L2 L7 V199 T217 E218 V221 V233 D234 L235 S236 D240 A241 G242L2-L238 HydrophobicContact CD2-CD1 3.74Å; L7-L238 HydrophobicContact CD1-CD1 4.07Å; V199-L238 HydrophobicContact CG2-CD1 4.33Å; T217-L238 HydrophobicContact CG2-CD1 4.16Å; T217-L238 HydrophobicContact CG2-CD2 3.57Å; T217-L238 HydrophobicContact CG2-CG 4.48Å; E218-L238 HydrophobicContact CG-CD2 3.99Å; E218-L238 HydrophobicContact CG-CG 4.07Å; V221-L238 HydrophobicContact CG2-CD2 4.21Å; V233-L238 HydrophobicContact CG1-CB 4.32Å; V233-L238 HydrophobicContact CG1-CD2 4.13Å; D234-L238 WeakPolarHBondContact O-CB 3.27Å; D234-L238 PolarHBondContact O-N 3.27Å; L235-L238 HydrophobicContact CD1-CD2 4.41Å; L235-L238 PolarHBondContact O-N 3.49Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 3.4Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.67Å; L238-A241 WeakPolarHBondContact O-CB 3.15Å; L238-A241 PolarHBondContact O-N 3.14Å; L238-G242 PolarHBondContact O-N 2.95Å
239M97.9Very high97.9Very high28 Ų2862.1 Ų62.114%0.13833%0.328CS..Hα-helixtrans-62.3-37.1175.7-76.817946.900112.7E218 L235 S236 A241 G242 A243 V257 A258 T261E218-M239 HydrophobicContact CG-CG 3.87Å; L235-M239 WeakPolarHBondContact O-CG 3.25Å; L235-M239 PolarHBondContact O-N 3.27Å; S236-M239 WeakPolarHBondContact O-CB 3.33Å; S236-M239 PolarHBondContact O-N 2.79Å; M239-A241 VanDerWaalsContact C-N 3.31Å; M239-A241 PolarHBondContact O-N 3.26Å; M239-G242 PolarHBondContact O-N 3.46Å; M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.35Å; M239-V257 HydrophobicContact SD-CG1 4.31Å; M239-A258 HydrophobicContact CE-CB 4.31Å; M239-A258 HydrophobicContact CG-CB 4.46Å; M239-T261 HydrophobicContact CE-CG2 3.71Å; M239-T261 HydrophobicContact SD-CG2 4.25Å
240D98.2Very high97.8Very high89 Ų8966 Ų6648%0.47635%0.35SS..Hα-helixtrans-60.7-42.1174.4-70.1-30.6000111.6M1 S236 K237 L238 A243 F244M1-D240 HydrophobicContact CE-CB 4.27Å; M1-D240 WeakPolarHBondContact CE-O 3.46Å; S236-D240 PolarHBondContact O-N 3.07Å; K237-D240 PolarHBondContact O-N 3.09Å; L238-D240 VanDerWaalsContact C-N 3.32Å; L238-D240 PolarHBondContact O-N 2.67Å; D240-A243 PolarHBondContact O-N 3.4Å; D240-F244 WeakPolarHBondContact O-CB 3.32Å; D240-F244 PolarHBondContact O-N 3.26Å
241A98.4Very high97.6Very high5 Ų560.6 Ų60.64%0.04132%0.324CS..Hα-helixtrans-63.4-43.2174.700000111.7M1 L2 K237 L238 M239 F244 I245M1-A241 HydrophobicContact CB-CB 3.8Å; M1-A241 HydrophobicContact CE-CB 4.41Å; L2-A241 HydrophobicContact CD2-CB 3.7Å; L2-A241 HydrophobicContact CG-CB 4.24Å; K237-A241 PolarHBondContact O-N 3.39Å; K237-A241 VanDerWaalsContact O-N 3.15Å; L238-A241 WeakPolarHBondContact O-CB 3.15Å; L238-A241 PolarHBondContact O-N 3.14Å; M239-A241 VanDerWaalsContact C-N 3.31Å; M239-A241 PolarHBondContact O-N 3.26Å; A241-F244 PolarHBondContact O-N 2.94Å; A241-I245 WeakPolarHBondContact O-CG2 3.41Å; A241-I245 PolarHBondContact O-N 2.94Å; A241-I245 VanDerWaalsContact O-N 3.1Å
242G98.2Very high97.4Very high1 Ų167.8 Ų67.81%0.0135%0.352CS..Hα-helixtrans-61.6-45.717500000113V199 L238 M239 F244 I245 C246V199-G242 VanDerWaalsContact CG2-CA 3.44Å; L238-G242 PolarHBondContact O-N 2.95Å; M239-G242 PolarHBondContact O-N 3.46Å; G242-F244 VanDerWaalsContact C-N 3.35Å; G242-F244 PolarHBondContact O-N 3.35Å; G242-I245 VanDerWaalsContact O-CG2 3.32Å; G242-I245 WeakPolarHBondContact O-CG2 3.48Å; G242-I245 PolarHBondContact O-N 3.37Å; G242-C246 VanDerWaalsContact O-CB 3.27Å; G242-C246 WeakPolarHBondContact O-CB 3.38Å; G242-C246 PolarHBondContact O-N 3.44Å; G242-C246 PolarHBondContact O-SG 3.31Å; G242-C246 VanDerWaalsContact O-SG 3.38Å
243A97.9Very high97.3Very high32 Ų3266.6 Ų66.626%0.26433%0.333SS..Hα-helixtrans-63.7-40.1177.400000112M239 D240 R247M239-A243 WeakPolarHBondContact O-CB 3.4Å; M239-A243 PolarHBondContact O-N 3.35Å; D240-A243 PolarHBondContact O-N 3.4Å; A243-R247 WeakPolarHBondContact O-CG 3.3Å; A243-R247 PolarHBondContact O-N 2.97Å; A243-R247 VanDerWaalsContact O-N 3.11Å
244F98.5Very high97.2Very high99 Ų9968 Ų6843%0.43434%0.344SS..Hα-helixtrans-58-56174.2166.7-99000111.6M1 D240 A241 G242 C246 R247 T248M1-F244 HydrophobicContact CE-CB 3.87Å; M1-F244 HydrophobicContact CE-CG 4.4Å; M1-F244 HydrophobicContact SD-CB 3.77Å; M1-F244 HydrophobicContact SD-CD1 3.75Å; M1-F244 HydrophobicContact SD-CD2 4.31Å; M1-F244 HydrophobicContact SD-CE1 4.46Å; M1-F244 HydrophobicContact SD-CG 3.67Å; D240-F244 WeakPolarHBondContact O-CB 3.32Å; D240-F244 PolarHBondContact O-N 3.26Å; A241-F244 PolarHBondContact O-N 2.94Å; G242-F244 VanDerWaalsContact C-N 3.35Å; G242-F244 PolarHBondContact O-N 3.35Å; F244-C246 PolarHBondContact O-N 3.24Å; F244-R247 PolarHBondContact O-N 2.99Å; F244-T248 PolarHBondContact O-N 3.38Å; F244-T248 PolarHBondContact O-OG1 3.2Å
245I97.8Very high97.1Very high45 Ų4565 Ų6523%0.23133%0.328CS..Hα-helixtrans-67.1-38.1-174.6-170.557.4000111.9V199 L202 A241 G242 R247 T248 I249V199-I245 HydrophobicContact CG1-CG2 4.16Å; L202-I245 HydrophobicContact CD1-CB 4.43Å; L202-I245 HydrophobicContact CD1-CG1 3.71Å; L202-I245 HydrophobicContact CD1-CG2 3.82Å; L202-I245 HydrophobicContact CG-CG2 4.44Å; A241-I245 WeakPolarHBondContact O-CG2 3.41Å; A241-I245 PolarHBondContact O-N 2.94Å; A241-I245 VanDerWaalsContact O-N 3.1Å; G242-I245 VanDerWaalsContact O-CG2 3.32Å; G242-I245 WeakPolarHBondContact O-CG2 3.48Å; G242-I245 PolarHBondContact O-N 3.37Å; I245-R247 PolarHBondContact O-N 3.39Å; I245-T248 PolarHBondContact O-N 2.92Å; I245-I249 HydrophobicContact CD1-CG2 3.98Å; I245-I249 HydrophobicContact CG1-CG2 4.47Å; I245-I249 WeakPolarHBondContact O-CG1 3.32Å; I245-I249 PolarHBondContact O-N 3.1Å
246C97.3Very high97.1Very high10 Ų1069.8 Ų69.87%0.06835%0.347CS..Hα-helixtrans-57.4-44.4173.6-81.90000112.7A200 G242 F244 N250 R251 T253A200-C246 VanDerWaalsContact CB-SG 3.6Å; G242-C246 VanDerWaalsContact O-CB 3.27Å; G242-C246 WeakPolarHBondContact O-CB 3.38Å; G242-C246 PolarHBondContact O-N 3.44Å; G242-C246 PolarHBondContact O-SG 3.31Å; G242-C246 VanDerWaalsContact O-SG 3.38Å; F244-C246 PolarHBondContact O-N 3.24Å; C246-N250 PolarHBondContact O-N 3.01Å; C246-N250 VanDerWaalsContact O-N 3.13Å; C246-R251 CarbonylContact C-O 3.46Å; C246-R251 WeakPolarHBondContact CA-O 3.13Å; C246-R251 WeakPolarHBondContact CB-O 3.36Å; C246-R251 PolarHBondContact O-N 3.26Å; C246-R251 VanDerWaalsContact O-O 3.06Å; C246-T253 VanDerWaalsContact SG-CA 3.56Å
247R97.4Very high97.2Very high174 Ų17467 Ų6766%0.65733%0.327SS*.Hα-helixtrans-63.7-45.3174.5-74.5-171.8-61.1-94.10.8111.7A243 F244 I245 I249 N250A243-R247 WeakPolarHBondContact O-CG 3.3Å; A243-R247 PolarHBondContact O-N 2.97Å; A243-R247 VanDerWaalsContact O-N 3.11Å; F244-R247 PolarHBondContact O-N 2.99Å; I245-R247 PolarHBondContact O-N 3.39Å; R247-I249 VanDerWaalsContact C-N 3.33Å; R247-I249 PolarHBondContact O-N 3.41Å; R247-N250 PolarHBondContact O-N 2.91Å
248T97.7Very high97.1Very high89 Ų8962.8 Ų62.855%0.54631%0.31SS..Hα-helixtrans-60.1-40.8-178.3-59.70000112.5F244 I245F244-T248 PolarHBondContact O-N 3.38Å; F244-T248 PolarHBondContact O-OG1 3.2Å; I245-T248 PolarHBondContact O-N 2.92Å
249I95.6Very high97Very high82 Ų8267.5 Ų67.542%0.42133%0.332SS..THydrogen-bonded Turntrans-94.27.8-179.973.8-175.8000113.4L202 I245 R247 R251L202-I249 HydrophobicContact CD2-CD1 3.4Å; I245-I249 HydrophobicContact CD1-CG2 3.98Å; I245-I249 HydrophobicContact CG1-CG2 4.47Å; I245-I249 WeakPolarHBondContact O-CG1 3.32Å; I245-I249 PolarHBondContact O-N 3.1Å; R247-I249 VanDerWaalsContact C-N 3.33Å; R247-I249 PolarHBondContact O-N 3.41Å; I249-R251 HydrophobicContact CD1-CB 4.08Å; I249-R251 HydrophobicContact CG1-CB 3.76Å; I249-R251 PolarHBondContact O-N 2.98Å
250N95.9Very high96.9Very high155 Ų15570.4 Ų70.483%0.82936%0.36SS*.THydrogen-bonded Turntrans50.450.3-177.7-168.330.2000113.6C246 R247C246-N250 PolarHBondContact O-N 3.01Å; C246-N250 VanDerWaalsContact O-N 3.13Å; R247-N250 PolarHBondContact O-N 2.91Å
251R93.1Very high96.5Very high83 Ų8370 Ų7031%0.31336%0.361SS..  trans-130.8145.8179.4-175.4-170.7150175.3-6.5110.1G201 G203 C246 I249 S254G201-R251 PolarHBondContact O-NH2 3.28Å; G203-R251 PolarHBondContact O-NH1 3.07Å; C246-R251 CarbonylContact C-O 3.46Å; C246-R251 WeakPolarHBondContact CA-O 3.13Å; C246-R251 WeakPolarHBondContact CB-O 3.36Å; C246-R251 PolarHBondContact O-N 3.26Å; C246-R251 VanDerWaalsContact O-O 3.06Å; I249-R251 HydrophobicContact CD1-CB 4.08Å; I249-R251 HydrophobicContact CG1-CB 3.76Å; I249-R251 PolarHBondContact O-N 2.98Å; R251-S254 PolarHBondContact NH2-OG 3.33Å
252K94.3Very high94.9Very high189 Ų18974.1 Ų74.182%0.82239%0.389SS*.  trans-73.7145.1169.5-64.4-174.5178.9-177.40111.3
253T96Very high92.7Very high30 Ų3083.5 Ų83.518%0.18443%0.429CS..  trans-61.6140.8173-1790000111.1A200 C246 S255 A258 Q259A200-T253 WeakPolarHBondContact CB-OG1 3.45Å; C246-T253 VanDerWaalsContact SG-CA 3.56Å; T253-S255 PolarHBondContact OG1-N 3.01Å; T253-S255 VanDerWaalsContact OG1-N 3.13Å; T253-A258 HydrophobicContact CG2-CB 3.92Å; T253-Q259 HydrophobicContact CG2-CG 4.01Å; T253-Q259 PolarHBondContact O-NE2 2.99Å
254S95.8Very high89.8Confident43 Ų4393.9 Ų93.930%0.30148%0.479SS..  trans-90.8-10.7171-67.50000112.7A200 R251 K256A200-S254 WeakPolarHBondContact O-CB 3.45Å; A200-S254 PolarHBondContact O-N 3.48Å; R251-S254 PolarHBondContact NH2-OG 3.33Å; S254-K256 PolarHBondContact O-N 3.24Å
255S97.8Very high89.4Confident0 Ų093.7 Ų93.70%048%0.481CS..  trans-64.8124.8173.1164.90000110.8E218 D219 T253 V257 A258 Q259E218-S255 VanDerWaalsContact CB-OG 3.32Å; E218-S255 WeakPolarHBondContact CB-OG 3.42Å; D219-S255 WeakPolarHBondContact OD1-CA 3.21Å; D219-S255 WeakPolarHBondContact OD1-CB 3.33Å; D219-S255 PolarHBondContact OD1-OG 3.13Å; T253-S255 PolarHBondContact OG1-N 3.01Å; T253-S255 VanDerWaalsContact OG1-N 3.13Å; S255-V257 PolarHBondContact OG-N 3.06Å; S255-A258 PolarHBondContact OG-N 2.77Å; S255-Q259 VanDerWaalsContact O-CG 3.25Å; S255-Q259 WeakPolarHBondContact O-CG 3.48Å; S255-Q259 PolarHBondContact O-N 3.46Å
256K98Very high88.9Confident139 Ų13996.2 Ų96.260%0.60449%0.494SS*.Hα-helixtrans-71.7-33.8174-60.2-47.6-173.589.40111.9D219 S254 Q259 A260D219-K256 PolarHBondContact OD1-N 3.28Å; D219-K256 PolarHBondContact OD2-N 2.69Å; S254-K256 PolarHBondContact O-N 3.24Å; K256-Q259 PolarHBondContact O-N 3.37Å; K256-A260 WeakPolarHBondContact O-CB 3.17Å; K256-A260 PolarHBondContact O-N 3.07Å
257V98Very high88.4Confident17 Ų17101 Ų10110%0.10352%0.518CS..Hα-helixtrans-60.9-49.2174.6174.40000110.5E218 D219 Y222 L235 M239 S255 Q259 A260 T261E218-V257 HydrophobicContact CB-CB 4.38Å; D219-V257 HydrophobicContact CB-CG2 4.47Å; D219-V257 WeakPolarHBondContact OD1-CB 3.4Å; D219-V257 VanDerWaalsContact OD1-CG2 3.31Å; D219-V257 WeakPolarHBondContact OD1-CG2 3.41Å; D219-V257 PolarHBondContact OD1-N 2.96Å; Y222-V257 HydrophobicContact CD1-CG2 4.17Å; Y222-V257 HydrophobicContact CD2-CG1 4.05Å; Y222-V257 HydrophobicContact CD2-CG2 3.88Å; Y222-V257 HydrophobicContact CG-CG2 3.6Å; L235-V257 HydrophobicContact CD2-CG1 4.31Å; M239-V257 HydrophobicContact SD-CG1 4.31Å; S255-V257 PolarHBondContact OG-N 3.06Å; V257-Q259 VanDerWaalsContact C-N 3.33Å; V257-Q259 PolarHBondContact O-N 2.81Å; V257-A260 PolarHBondContact O-N 3.32Å; V257-T261 VanDerWaalsContact O-CB 3.28Å; V257-T261 WeakPolarHBondContact O-CB 3.37Å; V257-T261 PolarHBondContact O-N 2.9Å; V257-T261 PolarHBondContact O-OG1 2.99Å
258A96.9Very high87.9Confident8 Ų896.7 Ų96.77%0.06651%0.51CS..Hα-helixtrans-62.7-39.7178.800000112.2M239 T253 S255 T261 C262M239-A258 HydrophobicContact CE-CB 4.31Å; M239-A258 HydrophobicContact CG-CB 4.46Å; T253-A258 HydrophobicContact CG2-CB 3.92Å; S255-A258 PolarHBondContact OG-N 2.77Å; A258-T261 PolarHBondContact O-N 3.21Å; A258-C262 WeakPolarHBondContact O-CB 3.36Å; A258-C262 PolarHBondContact O-N 2.99Å
259Q96.6Very high87.3Confident100 Ų10097.2 Ų97.247%0.46751%0.508SS..Hα-helixtrans-62.4-41.9175.5-71.3168.614.300112.7T253 S255 K256 V257 T261T253-Q259 HydrophobicContact CG2-CG 4.01Å; T253-Q259 PolarHBondContact O-NE2 2.99Å; S255-Q259 VanDerWaalsContact O-CG 3.25Å; S255-Q259 WeakPolarHBondContact O-CG 3.48Å; S255-Q259 PolarHBondContact O-N 3.46Å; K256-Q259 PolarHBondContact O-N 3.37Å; V257-Q259 VanDerWaalsContact C-N 3.33Å; V257-Q259 PolarHBondContact O-N 2.81Å; Q259-T261 VanDerWaalsContact C-N 3.32Å
260A96.4Very high86.8Confident88 Ų8898.2 Ų98.273%0.72751%0.514SS*.Hα-helixtrans-74-24.4179.700000113K256 V257K256-A260 WeakPolarHBondContact O-CB 3.17Å; K256-A260 PolarHBondContact O-N 3.07Å; V257-A260 PolarHBondContact O-N 3.32Å
261T88.9Confident86.1Confident81 Ų8194.1 Ų94.150%0.49749%0.491SS..Hα-helixtrans-95.7-30.7-172.8-530000113M239 V257 A258 Q259 K263M239-T261 HydrophobicContact CE-CG2 3.71Å; M239-T261 HydrophobicContact SD-CG2 4.25Å; V257-T261 VanDerWaalsContact O-CB 3.28Å; V257-T261 WeakPolarHBondContact O-CB 3.37Å; V257-T261 PolarHBondContact O-N 2.9Å; V257-T261 PolarHBondContact O-OG1 2.99Å; A258-T261 PolarHBondContact O-N 3.21Å; Q259-T261 VanDerWaalsContact C-N 3.32Å; T261-K263 VanDerWaalsContact C-N 3.34Å; T261-K263 PolarHBondContact O-N 3.05Å
262C65.6Low85.6Confident91 Ų9195 Ų9562%0.61551%0.505SS*.  trans-67.991.9169.9-85.40000109.8A258A258-C262 WeakPolarHBondContact O-CB 3.36Å; A258-C262 PolarHBondContact O-N 2.99Å
263K51.2Low84.8Confident199 Ų19987.2 Ų87.287%0.86548%0.478SS*.  trans-64.4134.7162.5-67.6-174.5-179.3179.70108.4T261T261-K263 VanDerWaalsContact C-N 3.34Å; T261-K263 PolarHBondContact O-N 3.05Å
264L37Very low83.8Confident250 Ų25092.4 Ų92.4100%1.30951%0.505SS*.  trans-350176.4-75.8156.3000114

Retrieved 264 of 264 residues in 455.3 ms (Link to these results)

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