A0A077YZR5_TRITR Loading...

Pyruvate dehydrogenase phosphatase regulatory

AlphaFold DB , UniProt , Accession A0A077YZR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 692 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
1M84.4Confident95.7Very high78 Ų7833.6 Ų33.638%0.38420%0.197SC..  0150.60-164.5170.1-76.200108.7L34 Y167 T187 D189 I192M1-L34 HydrophobicContact CE-CD2 4.39Å; M1-Y167 HydrophobicContact CE-CG 4.33Å; M1-Y167 HydrophobicContact CG-CD2 4.4Å; M1-Y167 HydrophobicContact CG-CE2 4.09Å; M1-T187 HydrophobicContact CE-CG2 3.9Å; M1-T187 WeakPolarHBondContact CE-OG1 3.33Å; M1-T187 HydrophobicContact SD-CG2 3.63Å; M1-T187 PolarHBondContact SD-OG1 2.83Å; M1-D189 HydrophobicContact CE-CB 4.08Å; M1-I192 HydrophobicContact CG-CD1 3.87Å; M1-I192 HydrophobicContact CG-CG1 4.05Å; M1-I192 HydrophobicContact SD-CD1 3.67Å; M1-I192 HydrophobicContact SD-CG1 4.03Å
2V93.6Very high95.7Very high32 Ų3230.8 Ų30.819%0.19418%0.18CC..  trans-70.4157.2171.5-67.10000110.9V32 L165 I192V2-V32 HydrophobicContact CG2-CG2 3.72Å; V2-L165 HydrophobicContact CG1-CD1 3.58Å; V2-L165 HydrophobicContact CG2-CD1 4.3Å; V2-I192 HydrophobicContact CG2-CG1 4.46Å; V2-I192 VanDerWaalsContact O-CG1 3.3Å; V2-I192 WeakPolarHBondContact O-CG1 3.44Å
3S95Very high95.7Very high83 Ų8329.7 Ų29.758%0.5818%0.179SC*.SBendtrans-92.4-20177.447.30000114R193S3-R193 PolarHBondContact O-N 3.43Å
4D96.5Very high95.8Very high74 Ų7427.6 Ų27.640%0.39617%0.167SC..EExtended strand (participates in β ladder)trans-140.4149.4-175.163.5-71.4000110.3R30 R193D4-R30 WeakPolarHBondContact O-CD 2.99Å; D4-R30 PolarHBondContact O-NH1 3.26Å; D4-R30 IonicContact OD1-CZ 3.41Å; D4-R30 IonicContact OD1-NH1 2.7Å; D4-R30 PolarHBondContact OD1-NH1 3.11Å; D4-R30 IonicContact OD2-CZ 2.67Å; D4-R30 IonicContact OD2-NH1 3.67Å; D4-R30 PolarHBondContact OD2-NH1 3.27Å; D4-R30 IonicContact OD2-NH2 3.44Å; D4-R193 WeakPolarHBondContact CA-O 3.1Å
5A97.7Very high95.9Very high7 Ų726.5 Ų26.56%0.05816%0.159CC..EExtended strand (participates in β ladder)trans-154.1148.3174.700000110.8V8 V32 I192 R193 T194A5-V8 HydrophobicContact CB-CG2 3.93Å; A5-V32 HydrophobicContact CB-CB 4.22Å; A5-V32 HydrophobicContact CB-CG2 3.6Å; A5-I192 HydrophobicContact CB-CG2 3.75Å; A5-R193 PolarHBondContact N-O 3.23Å; A5-T194 WeakPolarHBondContact O-CA 3.47Å; A5-T194 WeakPolarHBondContact O-CB 3.49Å; A5-T194 PolarHBondContact O-OG1 3.26Å
6D97.4Very high96Very high80 Ų8024.9 Ų24.943%0.42815%0.149SC..EExtended strand (participates in β ladder)trans-74.7-35.2175-65.2-77.7000111.6A28 G29 R30 T194 N196D6-A28 WeakPolarHBondContact CB-O 3.38Å; D6-G29 VanDerWaalsContact OD2-CA 3.27Å; D6-G29 WeakPolarHBondContact OD2-CA 3.31Å; D6-R30 PolarHBondContact N-O 3.3Å; D6-R30 PolarHBondContact OD2-N 2.83Å; D6-T194 PolarHBondContact O-OG1 2.97Å; D6-N196 PolarHBondContact O-N 2.91Å; D6-N196 PolarHBondContact O-ND2 2.94Å
7V98Very high96.1Very high2 Ų223.4 Ų23.41%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-139.5129.8175.6-168.70000110.8I9 L23 R30 V32 T194 N196 V198 I364V7-I9 HydrophobicContact CG1-CG1 4.49Å; V7-L23 HydrophobicContact CB-CD1 4.21Å; V7-L23 HydrophobicContact CG1-CD1 3.74Å; V7-L23 HydrophobicContact CG2-CD1 4.34Å; V7-R30 PolarHBondContact N-O 3.34Å; V7-V32 PolarHBondContact O-N 2.89Å; V7-T194 PolarHBondContact N-OG1 3.25Å; V7-N196 WeakPolarHBondContact CA-O 3.42Å; V7-N196 HydrophobicContact CB-CB 4.34Å; V7-N196 HydrophobicContact CG1-CB 4.01Å; V7-N196 HydrophobicContact CG2-CB 4.11Å; V7-V198 HydrophobicContact CG1-CG2 3.94Å; V7-I364 HydrophobicContact CG2-CG2 4.25Å
8V98.2Very high96.3Very high0 Ų022.1 Ų22.10%013%0.133CC..EExtended strand (participates in β ladder)trans-109.6129.3169.2178.10000110.3A5 V10 V32 L34 V185 I192 T194 N196 I197 V198A5-V8 HydrophobicContact CB-CG2 3.93Å; V8-V10 HydrophobicContact CG1-CG2 4.48Å; V8-V32 CarbonylContact C-O 3.53Å; V8-V32 WeakPolarHBondContact CA-O 3.41Å; V8-V32 HydrophobicContact CG2-CB 4.4Å; V8-L34 HydrophobicContact CG1-CD1 3.8Å; V8-L34 HydrophobicContact CG1-CG 4.18Å; V8-V185 HydrophobicContact CB-CG2 4.27Å; V8-V185 HydrophobicContact CG1-CB 4.44Å; V8-V185 HydrophobicContact CG1-CG1 4.25Å; V8-V185 HydrophobicContact CG1-CG2 4.06Å; V8-V185 HydrophobicContact CG2-CG2 4.39Å; V8-I192 HydrophobicContact CG2-CB 4.43Å; V8-I192 HydrophobicContact CG2-CG2 3.7Å; V8-T194 HydrophobicContact CB-CG2 3.98Å; V8-T194 HydrophobicContact CG2-CG2 3.67Å; V8-N196 PolarHBondContact N-O 3.26Å; V8-I197 CarbonylContact O-C 3.56Å; V8-I197 WeakPolarHBondContact O-CA 3.26Å; V8-V198 PolarHBondContact O-N 3.28Å
9I98.4Very high96.4Very high0 Ų020.9 Ų20.90%013%0.126CC..EExtended strand (participates in β ladder)trans-108.9127.4175.9-56.9157000108.3V7 I19 A20 L23 V31 V32 L33 L34 V198 A200V7-I9 HydrophobicContact CG1-CG1 4.49Å; I9-I19 HydrophobicContact CD1-CB 4.28Å; I9-I19 HydrophobicContact CD1-CG2 3.79Å; I9-I19 HydrophobicContact CG1-CG2 4.11Å; I9-A20 VanDerWaalsContact CD1-CA 3.42Å; I9-A20 HydrophobicContact CD1-CB 3.58Å; I9-L23 HydrophobicContact CD1-CD1 4.18Å; I9-V31 HydrophobicContact CD1-CG1 3.88Å; I9-V32 PolarHBondContact N-O 3Å; I9-L33 HydrophobicContact CB-CB 4.29Å; I9-L33 HydrophobicContact CB-CG 4.35Å; I9-L33 HydrophobicContact CG2-CD1 4.36Å; I9-L33 HydrophobicContact CG2-CG 4.37Å; I9-L33 CarbonylContact O-C 3.47Å; I9-L33 WeakPolarHBondContact O-CA 3.49Å; I9-L34 PolarHBondContact O-N 2.75Å; I9-V198 CarbonylContact C-O 3.6Å; I9-V198 WeakPolarHBondContact CA-O 3.44Å; I9-V198 HydrophobicContact CG1-CB 4.23Å; I9-V198 HydrophobicContact CG1-CG2 4.45Å; I9-A200 HydrophobicContact CG2-CB 4.32Å
10V97.3Very high96.5Very high8 Ų819.9 Ų19.95%0.04812%0.119CC..EExtended strand (participates in β ladder)trans-104.6113.4177.3179.60000108.9V8 L173 I197 V198 I199 A200 A201V8-V10 HydrophobicContact CG1-CG2 4.48Å; V10-L173 HydrophobicContact CG1-CD1 3.77Å; V10-I197 HydrophobicContact CG2-CD1 4.23Å; V10-I197 HydrophobicContact CG2-CG1 4.34Å; V10-V198 PolarHBondContact N-O 3.42Å; V10-I199 HydrophobicContact CB-CD1 3.98Å; V10-I199 HydrophobicContact CG2-CD1 4.01Å; V10-A200 CarbonylContact O-C 3.42Å; V10-A200 WeakPolarHBondContact O-CA 3.09Å; V10-A200 PolarHBondContact O-N 2.76Å; V10-A201 HydrophobicContact CG1-CB 4.32Å; V10-A201 PolarHBondContact O-N 3.18Å; V10-A201 VanDerWaalsContact O-N 3.08Å
11G96Very high96.6Very high6 Ų619.5 Ų19.56%0.06212%0.116CC..  trans114.3117.8-177.800000112.5G16 L34G11-G16 WeakPolarHBondContact O-CA 3.39Å; G11-L34 PolarHBondContact N-O 2.85Å
12G96.4Very high97.3Very high0 Ų016.1 Ų16.10%010%0.099CC..  trans-99.226.4-179.600000114.4E35 L39 G40 C152G12-E35 VanDerWaalsContact CA-OE2 3.31Å; G12-E35 WeakPolarHBondContact CA-OE2 3.31Å; G12-E35 PolarHBondContact N-OE2 2.85Å; G12-L39 WeakPolarHBondContact O-CA 3.34Å; G12-G40 PolarHBondContact O-N 3.39Å; G12-C152 PolarHBondContact O-SG 2.84Å; G12-C152 VanDerWaalsContact O-SG 3.34Å
13G95.4Very high97.5Very high16 Ų1614.6 Ų14.617%0.1659%0.09CC..SBendtrans-76.1179.2167.600000112.3I15 G16 T17G13-I15 VanDerWaalsContact C-N 3.25Å; G13-I15 PolarHBondContact O-N 3.4Å; G13-I15 VanDerWaalsContact O-N 3.14Å; G13-G16 PolarHBondContact O-N 3.42Å; G13-T17 PolarHBondContact O-N 2.83Å; G13-T17 PolarHBondContact O-OG1 2.86Å
14V96.4Very high97.7Very high1 Ų110.9 Ų10.91%0.0066%0.064CC..Hα-helixtrans-54.3-38.7-175.368.80000113.6T17 S18 T44 L151 L155 N349 L350 A353V14-T17 WeakPolarHBondContact CA-OG1 3.31Å; V14-T17 PolarHBondContact O-OG1 2.87Å; V14-S18 VanDerWaalsContact O-CB 3.26Å; V14-S18 WeakPolarHBondContact O-CB 3.41Å; V14-S18 PolarHBondContact O-N 3.19Å; V14-T44 HydrophobicContact CB-CG2 3.94Å; V14-T44 HydrophobicContact CG1-CG2 4.36Å; V14-T44 PolarHBondContact N-OG1 2.85Å; V14-L151 HydrophobicContact CG2-CD2 3.86Å; V14-L151 HydrophobicContact CG2-CG 4.08Å; V14-L155 HydrophobicContact CG2-CD1 4.03Å; V14-N349 HydrophobicContact CG1-CB 4.27Å; V14-L350 HydrophobicContact CG1-CD2 4.25Å; V14-L350 HydrophobicContact CG2-CD2 4.36Å; V14-A353 HydrophobicContact CB-CB 4.39Å; V14-A353 HydrophobicContact CG1-CB 4.01Å; V14-A353 HydrophobicContact CG2-CB 3.76Å
15I97.4Very high97.7Very high11 Ų1113.8 Ų13.86%0.0567%0.07CC..Hα-helixtrans-63.1-51.8176.1-60-65.8000110.7G13 S18 I19 A200 A343 F346 N349 A353G13-I15 VanDerWaalsContact C-N 3.25Å; G13-I15 PolarHBondContact O-N 3.4Å; G13-I15 VanDerWaalsContact O-N 3.14Å; I15-S18 WeakPolarHBondContact O-CB 3.35Å; I15-S18 PolarHBondContact O-N 2.86Å; I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 3.41Å; I15-A200 HydrophobicContact CG2-CB 4.13Å; I15-A343 HydrophobicContact CG2-CB 3.75Å; I15-F346 HydrophobicContact CB-CE2 4.47Å; I15-F346 HydrophobicContact CD1-CD1 4.19Å; I15-F346 HydrophobicContact CD1-CD2 4.01Å; I15-F346 HydrophobicContact CD1-CE1 3.98Å; I15-F346 HydrophobicContact CD1-CE2 3.77Å; I15-F346 HydrophobicContact CD1-CG 4.22Å; I15-F346 HydrophobicContact CD1-CZ 3.78Å; I15-F346 HydrophobicContact CG1-CD2 3.84Å; I15-F346 HydrophobicContact CG1-CE2 3.75Å; I15-F346 HydrophobicContact CG1-CG 4.42Å; I15-F346 HydrophobicContact CG1-CZ 4.28Å; I15-F346 HydrophobicContact CG2-CE2 3.98Å; I15-F346 HydrophobicContact CG2-CZ 4.34Å; I15-N349 HydrophobicContact CD1-CB 4.45Å; I15-N349 HydrophobicContact CG1-CB 4.43Å; I15-A353 HydrophobicContact CD1-CB 3.72Å
16G98.1Very high97.7Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-63.9-43.5-178.500000112.7G11 G13 S18 I19 A20 L33G11-G16 WeakPolarHBondContact O-CA 3.39Å; G13-G16 PolarHBondContact O-N 3.42Å; G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 3.13Å; G16-I19 PolarHBondContact O-N 2.8Å; G16-A20 WeakPolarHBondContact O-CB 3.3Å; G16-A20 PolarHBondContact O-N 2.73Å; G16-L33 WeakPolarHBondContact O-CD1 3.5Å
17T98.2Very high97.7Very high0 Ų022.6 Ų22.60%010%0.103CC..Hα-helixtrans-64.1-35.3175.353.10000112.2G13 V14 Y21 L33 L39 A156G13-T17 PolarHBondContact O-N 2.83Å; G13-T17 PolarHBondContact O-OG1 2.86Å; V14-T17 WeakPolarHBondContact CA-OG1 3.31Å; V14-T17 PolarHBondContact O-OG1 2.87Å; T17-Y21 WeakPolarHBondContact O-CB 3.45Å; T17-Y21 PolarHBondContact O-N 3.03Å; T17-L33 HydrophobicContact CG2-CD1 4.25Å; T17-L39 HydrophobicContact CG2-CD2 4.32Å; T17-A156 HydrophobicContact CG2-CB 3.91Å
18S98.3Very high97.6Very high0 Ų023.5 Ų23.50%011%0.111CC..Hα-helixtrans-66.4-46.2174.1-175.10000111.5V14 I15 G16 A20 Y21 H22 A353 G357V14-S18 VanDerWaalsContact O-CB 3.26Å; V14-S18 WeakPolarHBondContact O-CB 3.41Å; V14-S18 PolarHBondContact O-N 3.19Å; I15-S18 WeakPolarHBondContact O-CB 3.35Å; I15-S18 PolarHBondContact O-N 2.86Å; G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 3.13Å; S18-A20 VanDerWaalsContact C-N 3.33Å; S18-A20 PolarHBondContact O-N 3.3Å; S18-Y21 PolarHBondContact O-N 2.92Å; S18-H22 PolarHBondContact O-N 2.85Å; S18-H22 PolarHBondContact O-ND1 3.05Å; S18-H22 PolarHBondContact OG-CE1 2.66Å; S18-H22 PolarHBondContact OG-ND1 3.27Å; S18-A353 VanDerWaalsContact CB-O 3.23Å; S18-A353 WeakPolarHBondContact CB-O 3.21Å; S18-A353 PolarHBondContact OG-O 3.48Å; S18-G357 WeakPolarHBondContact OG-CA 3.38Å
19I98.6Very high97.6Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-59.6-45.2176.7-66.4162.2000110.4I9 I15 G16 Y21 H22 L23 V198 A200 A343 L360I9-I19 HydrophobicContact CD1-CB 4.28Å; I9-I19 HydrophobicContact CD1-CG2 3.79Å; I9-I19 HydrophobicContact CG1-CG2 4.11Å; I15-I19 HydrophobicContact CG2-CD1 3.75Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 3.41Å; G16-I19 PolarHBondContact O-N 2.8Å; I19-Y21 PolarHBondContact O-N 3.28Å; I19-H22 PolarHBondContact O-N 2.87Å; I19-L23 HydrophobicContact CG2-CD1 3.7Å; I19-L23 HydrophobicContact CG2-CG 4.34Å; I19-L23 WeakPolarHBondContact O-CB 3.2Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 2.94Å; I19-V198 HydrophobicContact CD1-CG1 4Å; I19-V198 HydrophobicContact CG2-CG1 4.47Å; I19-A200 HydrophobicContact CD1-CB 4.26Å; I19-A343 HydrophobicContact CD1-CB 3.95Å; I19-L360 HydrophobicContact CD1-CD1 3.76Å; I19-L360 HydrophobicContact CG1-CD1 4.23Å
20A98.8Very high97.5Very high0 Ų030.3 Ų30.30%015%0.151CC..Hα-helixtrans-59.4-46.6177.900000112I9 G16 S18 H22 A24 V31 L33 A159I9-A20 VanDerWaalsContact CD1-CA 3.42Å; I9-A20 HydrophobicContact CD1-CB 3.58Å; G16-A20 WeakPolarHBondContact O-CB 3.3Å; G16-A20 PolarHBondContact O-N 2.73Å; S18-A20 VanDerWaalsContact C-N 3.33Å; S18-A20 PolarHBondContact O-N 3.3Å; A20-H22 PolarHBondContact O-N 3.11Å; A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.35Å; A20-V31 HydrophobicContact CB-CG1 4.37Å; A20-L33 HydrophobicContact CB-CB 4.44Å; A20-L33 HydrophobicContact CB-CD1 3.95Å; A20-A159 HydrophobicContact CB-CB 3.99Å
21Y98.5Very high97.6Very high12 Ų1230 Ų305%0.04715%0.149CC..Hα-helixtrans-57.7-49.3177.2166.8-116.4000112.1T17 S18 I19 A24 R25 L71 L155 M158 E162T17-Y21 WeakPolarHBondContact O-CB 3.45Å; T17-Y21 PolarHBondContact O-N 3.03Å; S18-Y21 PolarHBondContact O-N 2.92Å; I19-Y21 PolarHBondContact O-N 3.28Å; Y21-A24 PolarHBondContact O-N 3.3Å; Y21-R25 HydrophobicContact CE2-CB 4.42Å; Y21-R25 VanDerWaalsContact O-CB 3.26Å; Y21-R25 WeakPolarHBondContact O-CB 3.35Å; Y21-R25 PolarHBondContact O-N 3.25Å; Y21-R25 WeakPolarHBondContact OH-CD 3.47Å; Y21-R25 PolarHBondContact OH-NH1 3.44Å; Y21-L71 HydrophobicContact CE1-CD1 4.19Å; Y21-L155 HydrophobicContact CD1-CD2 4.41Å; Y21-M158 HydrophobicContact CD1-CE 4.45Å; Y21-M158 HydrophobicContact CD2-CB 3.59Å; Y21-M158 HydrophobicContact CD2-CE 4.15Å; Y21-M158 HydrophobicContact CE1-CE 3.86Å; Y21-M158 HydrophobicContact CE2-CB 3.85Å; Y21-M158 HydrophobicContact CE2-CE 3.51Å; Y21-M158 HydrophobicContact CG-CB 4.3Å; Y21-M158 WeakPolarHBondContact OH-CE 3.4Å; Y21-E162 HydrophobicContact CD2-CG 4.14Å; Y21-E162 HydrophobicContact CE2-CG 3.98Å
22H98.7Very high97.7Very high6 Ų629.7 Ų29.73%0.02815%0.146CC..Hα-helixtrans-71.1-37.5-175.8-6991.2000112.8S18 I19 A20 R26 Y67 G354 G357 A361S18-H22 PolarHBondContact O-N 2.85Å; S18-H22 PolarHBondContact O-ND1 3.05Å; S18-H22 PolarHBondContact OG-CE1 2.66Å; S18-H22 PolarHBondContact OG-ND1 3.27Å; I19-H22 PolarHBondContact O-N 2.87Å; A20-H22 PolarHBondContact O-N 3.11Å; H22-R26 VanDerWaalsContact O-CB 3.29Å; H22-R26 WeakPolarHBondContact O-CB 3.31Å; H22-R26 WeakPolarHBondContact O-CG 3.06Å; H22-R26 PolarHBondContact O-N 2.76Å; H22-Y67 AromaticContact NE2-CE1 3.36Å; H22-Y67 WeakPolarHBondContact NE2-CE1 3.18Å; H22-Y67 AromaticContact NE2-CZ 3.63Å; H22-Y67 PolarHBondContact NE2-OH 3.14Å; H22-G354 PolarHBondContact CE1-O 3.48Å; H22-G357 WeakPolarHBondContact CB-O 3.47Å; H22-A361 HydrophobicContact CB-CB 3.49Å; H22-A361 VanDerWaalsContact CB-CB 3.49Å
23L98.6Very high97.8Very high0 Ų029.7 Ų29.70%015%0.146CC..Hα-helixtrans-65.2-44.4174.7-77.6170.1000111.8V7 I9 I19 R26 Q27 A28 V31 A361 I364 V365V7-L23 HydrophobicContact CB-CD1 4.21Å; V7-L23 HydrophobicContact CG1-CD1 3.74Å; V7-L23 HydrophobicContact CG2-CD1 4.34Å; I9-L23 HydrophobicContact CD1-CD1 4.18Å; I19-L23 HydrophobicContact CG2-CD1 3.7Å; I19-L23 HydrophobicContact CG2-CG 4.34Å; I19-L23 WeakPolarHBondContact O-CB 3.2Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 2.94Å; L23-R26 CarbonylContact O-C 3.52Å; L23-R26 PolarHBondContact O-N 2.74Å; L23-Q27 PolarHBondContact O-N 3.03Å; L23-A28 HydrophobicContact CB-CB 4.17Å; L23-A28 HydrophobicContact CD2-CB 3.79Å; L23-A28 WeakPolarHBondContact O-CB 3.42Å; L23-A28 PolarHBondContact O-N 2.82Å; L23-V31 HydrophobicContact CB-CG1 4.27Å; L23-V31 HydrophobicContact CB-CG2 3.72Å; L23-V31 HydrophobicContact CD1-CG1 4.49Å; L23-A361 HydrophobicContact CD2-CB 3.88Å; L23-A361 HydrophobicContact CG-CB 3.86Å; L23-I364 HydrophobicContact CD1-CD1 4.39Å; L23-I364 HydrophobicContact CD2-CB 4.17Å; L23-I364 HydrophobicContact CD2-CD1 4.33Å; L23-I364 HydrophobicContact CD2-CG2 4.1Å; L23-V365 HydrophobicContact CD2-CG2 4.23Å
24A98.4Very high97.9Very high5 Ų529 Ų294%0.04114%0.138CC..Hα-helixtrans-63.9-44.8177.700000111.4A20 Y21 R26 Q27 E162 A164A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.48Å; A20-A24 PolarHBondContact O-N 3.35Å; Y21-A24 PolarHBondContact O-N 3.3Å; A24-R26 VanDerWaalsContact C-N 3.25Å; A24-R26 PolarHBondContact O-N 3.4Å; A24-Q27 WeakPolarHBondContact O-CA 3.09Å; A24-Q27 PolarHBondContact O-N 3.36Å; A24-E162 HydrophobicContact CB-CB 3.6Å; A24-A164 HydrophobicContact CB-CB 4.05Å
25R97.7Very high97.9Very high136 Ų13629.6 Ų29.651%0.51314%0.141SC..Hα-helixtrans-61.4-32.4174.7-176.7174.2176.9-178.1-0.3113.2Y21 Q27 E162Y21-R25 HydrophobicContact CE2-CB 4.42Å; Y21-R25 VanDerWaalsContact O-CB 3.26Å; Y21-R25 WeakPolarHBondContact O-CB 3.35Å; Y21-R25 PolarHBondContact O-N 3.25Å; Y21-R25 WeakPolarHBondContact OH-CD 3.47Å; Y21-R25 PolarHBondContact OH-NH1 3.44Å; R25-Q27 PolarHBondContact O-N 2.88Å; R25-E162 HydrophobicContact CB-CG 4.19Å
26R97.6Very high97.6Very high94 Ų9432 Ų3236%0.35515%0.149SC..THydrogen-bonded Turntrans-78.4-0.7173.4-76.2-83.1-68.2172.4-3.3113.1H22 L23 A24 A28 V365 D366H22-R26 VanDerWaalsContact O-CB 3.29Å; H22-R26 WeakPolarHBondContact O-CB 3.31Å; H22-R26 WeakPolarHBondContact O-CG 3.06Å; H22-R26 PolarHBondContact O-N 2.76Å; L23-R26 CarbonylContact O-C 3.52Å; L23-R26 PolarHBondContact O-N 2.74Å; A24-R26 VanDerWaalsContact C-N 3.25Å; A24-R26 PolarHBondContact O-N 3.4Å; R26-A28 VanDerWaalsContact C-N 3.26Å; R26-A28 PolarHBondContact O-N 2.86Å; R26-V365 HydrophobicContact CB-CG2 4.27Å; R26-D366 IonicContact CZ-OD1 3.71Å; R26-D366 IonicContact NH2-OD1 3.38Å; R26-D366 PolarHBondContact NH2-OD1 3.5Å; R26-D366 IonicContact NH2-OD2 2.68Å
27Q97.2Very high97.3Very high178 Ų17835 Ų3583%0.83216%0.163SC*.THydrogen-bonded Turntrans53.943.3-177-58.5-179.8-26.900111.9L23 A24 R25 G29L23-Q27 PolarHBondContact O-N 3.03Å; A24-Q27 WeakPolarHBondContact O-CA 3.09Å; A24-Q27 PolarHBondContact O-N 3.36Å; R25-Q27 PolarHBondContact O-N 2.88Å; Q27-G29 PolarHBondContact O-N 2.7Å
28A96.1Very high97Very high21 Ų2141.7 Ų41.717%0.17419%0.189CC..  trans-70.326.6-178.600000114.2D6 L23 R26 V365D6-A28 WeakPolarHBondContact CB-O 3.38Å; L23-A28 HydrophobicContact CB-CB 4.17Å; L23-A28 HydrophobicContact CD2-CB 3.79Å; L23-A28 WeakPolarHBondContact O-CB 3.42Å; L23-A28 PolarHBondContact O-N 2.82Å; R26-A28 VanDerWaalsContact C-N 3.26Å; R26-A28 PolarHBondContact O-N 2.86Å; A28-V365 HydrophobicContact CB-CG2 3.6Å
29G96.3Very high96.9Very high47 Ų4743.3 Ų43.349%0.48520%0.198SC..SBendtrans80.2-149-170.600000112.7D6 Q27 V31D6-G29 VanDerWaalsContact OD2-CA 3.27Å; D6-G29 WeakPolarHBondContact OD2-CA 3.31Å; Q27-G29 PolarHBondContact O-N 2.7Å; G29-V31 PolarHBondContact O-N 2.88Å
30R98Very high96.5Very high96 Ų9643.5 Ų43.536%0.36220%0.199SC..SBendtrans-81.3108.7179-172.9-176.3-66.3160.97.8110.5D4 D6 V7 V32 L165D4-R30 WeakPolarHBondContact O-CD 2.99Å; D4-R30 PolarHBondContact O-NH1 3.26Å; D4-R30 IonicContact OD1-CZ 3.41Å; D4-R30 IonicContact OD1-NH1 2.7Å; D4-R30 PolarHBondContact OD1-NH1 3.11Å; D4-R30 IonicContact OD2-CZ 2.67Å; D4-R30 IonicContact OD2-NH1 3.67Å; D4-R30 PolarHBondContact OD2-NH1 3.27Å; D4-R30 IonicContact OD2-NH2 3.44Å; D6-R30 PolarHBondContact N-O 3.3Å; D6-R30 PolarHBondContact OD2-N 2.83Å; V7-R30 PolarHBondContact N-O 3.34Å; R30-V32 HydrophobicContact CG-CG2 4.37Å; R30-L165 HydrophobicContact CG-CD1 4.4Å
31V98.7Very high96Very high1 Ų143.9 Ų43.91%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-96.1124.6176.8-178.30000109.6I9 A20 L23 G29 A164 L165I9-V31 HydrophobicContact CD1-CG1 3.88Å; A20-V31 HydrophobicContact CB-CG1 4.37Å; L23-V31 HydrophobicContact CB-CG1 4.27Å; L23-V31 HydrophobicContact CB-CG2 3.72Å; L23-V31 HydrophobicContact CD1-CG1 4.49Å; G29-V31 PolarHBondContact O-N 2.88Å; V31-A164 HydrophobicContact CB-CB 4.29Å; V31-A164 HydrophobicContact CG1-CB 4.32Å; V31-A164 WeakPolarHBondContact O-CA 3.48Å; V31-L165 PolarHBondContact O-N 3.43Å
32V98.5Very high95.4Very high0 Ų045 Ų450%022%0.217CC..EExtended strand (participates in β ladder)trans-119.2132176.2179.20000109.8V2 A5 V7 V8 I9 R30 L34 L165 Y167 I192V2-V32 HydrophobicContact CG2-CG2 3.72Å; A5-V32 HydrophobicContact CB-CB 4.22Å; A5-V32 HydrophobicContact CB-CG2 3.6Å; V7-V32 PolarHBondContact O-N 2.89Å; V8-V32 CarbonylContact C-O 3.53Å; V8-V32 WeakPolarHBondContact CA-O 3.41Å; V8-V32 HydrophobicContact CG2-CB 4.4Å; I9-V32 PolarHBondContact N-O 3Å; R30-V32 HydrophobicContact CG-CG2 4.37Å; V32-L34 HydrophobicContact CG1-CD2 3.78Å; V32-L34 HydrophobicContact CG1-CG 4.23Å; V32-L165 CarbonylContact C-O 3.5Å; V32-L165 VanDerWaalsContact CA-O 3.31Å; V32-L165 WeakPolarHBondContact CA-O 3.24Å; V32-L165 HydrophobicContact CG2-CB 4.31Å; V32-L165 HydrophobicContact CG2-CD1 4.44Å; V32-Y167 HydrophobicContact CG1-CD2 3.7Å; V32-Y167 HydrophobicContact CG1-CE2 3.77Å; V32-I192 HydrophobicContact CG1-CD1 3.94Å
33L98.4Very high94.7Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-114.5131.4171.1178.8159.5000109.6I9 G16 T17 A20 E35 L39 L165 L166 Y167I9-L33 HydrophobicContact CB-CB 4.29Å; I9-L33 HydrophobicContact CB-CG 4.35Å; I9-L33 HydrophobicContact CG2-CD1 4.36Å; I9-L33 HydrophobicContact CG2-CG 4.37Å; I9-L33 CarbonylContact O-C 3.47Å; I9-L33 WeakPolarHBondContact O-CA 3.49Å; G16-L33 WeakPolarHBondContact O-CD1 3.5Å; T17-L33 HydrophobicContact CG2-CD1 4.25Å; A20-L33 HydrophobicContact CB-CB 4.44Å; A20-L33 HydrophobicContact CB-CD1 3.95Å; L33-E35 HydrophobicContact CD2-CB 4.2Å; L33-L39 HydrophobicContact CD2-CD2 3.95Å; L33-L165 PolarHBondContact N-O 2.91Å; L33-L166 HydrophobicContact CB-CD1 4.35Å; L33-L166 HydrophobicContact CB-CG 4.07Å; L33-L166 HydrophobicContact CD2-CG 4.32Å; L33-L166 WeakPolarHBondContact O-CA 3.39Å; L33-Y167 PolarHBondContact O-N 2.98Å
34L97.7Very high94.1Very high0 Ų045.8 Ų45.80%023%0.226CC..EExtended strand (participates in β ladder)trans-115.1123.4179.6-54.9176.8000109.1M1 V8 I9 G11 V32 Y167 L173 V185 T187 I192M1-L34 HydrophobicContact CE-CD2 4.39Å; V8-L34 HydrophobicContact CG1-CD1 3.8Å; V8-L34 HydrophobicContact CG1-CG 4.18Å; I9-L34 PolarHBondContact O-N 2.75Å; G11-L34 PolarHBondContact N-O 2.85Å; V32-L34 HydrophobicContact CG1-CD2 3.78Å; V32-L34 HydrophobicContact CG1-CG 4.23Å; L34-Y167 HydrophobicContact CD2-CD2 3.75Å; L34-Y167 HydrophobicContact CD2-CG 4.26Å; L34-L173 HydrophobicContact CB-CD1 3.77Å; L34-L173 HydrophobicContact CB-CD2 4.12Å; L34-L173 HydrophobicContact CD1-CD2 3.66Å; L34-L173 HydrophobicContact CG-CD2 4.47Å; L34-V185 HydrophobicContact CD1-CG1 3.59Å; L34-T187 HydrophobicContact CD1-CG2 4.07Å; L34-I192 HydrophobicContact CD1-CD1 4.05Å; L34-I192 HydrophobicContact CD2-CD1 3.99Å; L34-I192 HydrophobicContact CG-CD1 4.49Å
35E95.7Very high93.5Very high15 Ų1546.9 Ų46.97%0.0723%0.233CC..  trans-116.9133.4178.3171.343.4-128.400110G12 L33 E37 R38 L39 S41 Y167 E168 H169 C170G12-E35 VanDerWaalsContact CA-OE2 3.31Å; G12-E35 WeakPolarHBondContact CA-OE2 3.31Å; G12-E35 PolarHBondContact N-OE2 2.85Å; L33-E35 HydrophobicContact CD2-CB 4.2Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 2.92Å; E35-E37 PolarHBondContact OE1-N 3Å; E35-R38 VanDerWaalsContact CG-C 3.46Å; E35-R38 WeakPolarHBondContact CG-O 3.38Å; E35-L39 HydrophobicContact CB-CD2 4.1Å; E35-L39 HydrophobicContact CG-CD2 4.33Å; E35-S41 PolarHBondContact OE1-OG 2.82Å; E35-Y167 PolarHBondContact N-O 2.87Å; E35-E168 HydrophobicContact CB-CG 4.46Å; E35-E168 CarbonylContact O-C 3.52Å; E35-H169 PolarHBondContact O-N 3.08Å; E35-H169 VanDerWaalsContact O-N 3.13Å; E35-C170 WeakPolarHBondContact O-CB 3.41Å; E35-C170 PolarHBondContact O-N 3.49Å
36R91.7Very high92.7Very high60 Ų6040.8 Ų40.823%0.22621%0.21CC..SBendtrans-59.1-43.4-176.9-161.8-174.465.6-156.3-10.5112.1H169 C170 P171 D204R36-H169 CarbonylContact O-C 3.44Å; R36-H169 WeakPolarHBondContact O-CA 3.45Å; R36-C170 WeakPolarHBondContact CA-O 3.43Å; R36-C170 PolarHBondContact O-N 2.96Å; R36-P171 HydrophobicContact CG-CB 4.14Å; R36-D204 IonicContact CZ-OD2 3.18Å; R36-D204 IonicContact NH1-OD1 2.87Å; R36-D204 PolarHBondContact NH1-OD1 2.96Å; R36-D204 IonicContact NH1-OD2 2.7Å; R36-D204 PolarHBondContact NH1-OD2 2.93Å; R36-D204 IonicContact NH2-OD2 3.95Å
37E90.8Very high92.1Very high63 Ų6337.1 Ų37.129%0.29420%0.2SC..SBendtrans-128.5-107.2-174.2-66.3175.3-148.400109.9E35 E168 H169E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 2.92Å; E35-E37 PolarHBondContact OE1-N 3Å; E37-E168 VanDerWaalsContact O-CB 3.31Å; E37-E168 WeakPolarHBondContact O-CB 3.5Å; E37-H169 PolarHBondContact O-N 2.99Å
38R93.4Very high91.4Very high141 Ų14130 Ų3053%0.53217%0.167SC..SBendtrans-111.7152174.5-67.3-177.2-179.2169.62.3110.6E35 G40 S41 E168 M282E35-R38 VanDerWaalsContact CG-C 3.46Å; E35-R38 WeakPolarHBondContact CG-O 3.38Å; R38-G40 PolarHBondContact O-N 3.4Å; R38-S41 WeakPolarHBondContact O-CB 3.15Å; R38-S41 PolarHBondContact O-N 2.87Å; R38-S41 PolarHBondContact O-OG 2.87Å; R38-E168 WeakPolarHBondContact CA-OE1 3.48Å; R38-E168 WeakPolarHBondContact CB-OE1 3.32Å; R38-M282 HydrophobicContact CB-SD 4.34Å
39L94.3Very high91.1Very high35 Ų3529 Ų2918%0.18316%0.16CC..THydrogen-bonded Turntrans-54.8132.6175.2-64.3173.2000110G12 T17 L33 E35 S41 A156 L166 E168G12-L39 WeakPolarHBondContact O-CA 3.34Å; T17-L39 HydrophobicContact CG2-CD2 4.32Å; L33-L39 HydrophobicContact CD2-CD2 3.95Å; E35-L39 HydrophobicContact CB-CD2 4.1Å; E35-L39 HydrophobicContact CG-CD2 4.33Å; L39-S41 VanDerWaalsContact C-N 3.28Å; L39-S41 PolarHBondContact O-N 2.98Å; L39-A156 HydrophobicContact CD1-CB 3.68Å; L39-L166 HydrophobicContact CD1-CD2 4.04Å; L39-L166 HydrophobicContact CD2-CD2 4.44Å; L39-E168 HydrophobicContact CD1-CG 4.49Å; L39-E168 HydrophobicContact CD2-CG 4.36Å; L39-E168 HydrophobicContact CG-CG 3.82Å; L39-E168 PolarHBondContact N-OE1 3.35Å
40G90.8Very high90.9Very high3 Ų327.4 Ų27.43%0.03114%0.14CC..THydrogen-bonded Turntrans75.93.5-177.700000115.7G12 R38 G42 S45G12-G40 PolarHBondContact O-N 3.39Å; R38-G40 PolarHBondContact O-N 3.4Å; G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.66Å; G40-S45 VanDerWaalsContact O-CB 3.22Å; G40-S45 WeakPolarHBondContact O-CB 3.43Å; G40-S45 PolarHBondContact O-N 2.79Å
41S88Confident90.6Very high9 Ų922.9 Ų22.96%0.06312%0.123CC..THydrogen-bonded Turntrans-68.9-20.3-173.561.50000115.9E35 R38 L39 S45E35-S41 PolarHBondContact OE1-OG 2.82Å; R38-S41 WeakPolarHBondContact O-CB 3.15Å; R38-S41 PolarHBondContact O-N 2.87Å; R38-S41 PolarHBondContact O-OG 2.87Å; L39-S41 VanDerWaalsContact C-N 3.28Å; L39-S41 PolarHBondContact O-N 2.98Å; S41-S45 PolarHBondContact O-OG 3.01Å; S41-S45 VanDerWaalsContact O-OG 3.11Å
42G85.7Confident90.1Very high36 Ų3623.4 Ų23.437%0.37113%0.126SC..THydrogen-bonded Turntrans-74.5-149.4174.400000113.2G40 T44 S45G40-G42 VanDerWaalsContact C-N 3.31Å; G40-G42 PolarHBondContact O-N 2.66Å; G42-T44 PolarHBondContact O-N 3.2Å; G42-S45 PolarHBondContact O-N 2.99Å; G42-S45 PolarHBondContact O-OG 2.83Å
43G84.8Confident89.6Confident15 Ų1524.1 Ų24.116%0.15513%0.129CC..G310 helixtrans-53.2-27.3-179.300000114.7S45 H46 A47G43-S45 PolarHBondContact O-N 3.24Å; G43-S45 VanDerWaalsContact O-N 3.14Å; G43-H46 PolarHBondContact O-N 3.31Å; G43-A47 PolarHBondContact O-N 2.72Å; G43-A47 VanDerWaalsContact O-N 3.1Å
44T87.2Confident89Confident7 Ų724.5 Ų24.54%0.04313%0.131CC..G310 helixtrans-55.2-31.9173.9-58.30000113.8V14 G42 H46 A148 C152V14-T44 HydrophobicContact CB-CG2 3.94Å; V14-T44 HydrophobicContact CG1-CG2 4.36Å; V14-T44 PolarHBondContact N-OG1 2.85Å; G42-T44 PolarHBondContact O-N 3.2Å; T44-H46 VanDerWaalsContact C-N 3.27Å; T44-H46 PolarHBondContact O-N 2.72Å; T44-A148 HydrophobicContact CG2-CB 4.17Å; T44-A148 VanDerWaalsContact O-CB 3.29Å; T44-A148 WeakPolarHBondContact O-CB 3.46Å; T44-C152 HydrophobicContact CG2-CB 3.99Å
45S84.5Confident88.1Confident27 Ų2725.5 Ų25.519%0.18914%0.135CC..G310 helixtrans-74.4-18.2179.356.40000114G40 S41 G42 G43G40-S45 VanDerWaalsContact O-CB 3.22Å; G40-S45 WeakPolarHBondContact O-CB 3.43Å; G40-S45 PolarHBondContact O-N 2.79Å; S41-S45 PolarHBondContact O-OG 3.01Å; S41-S45 VanDerWaalsContact O-OG 3.11Å; G42-S45 PolarHBondContact O-N 2.99Å; G42-S45 PolarHBondContact O-OG 2.83Å; G43-S45 PolarHBondContact O-N 3.24Å; G43-S45 VanDerWaalsContact O-N 3.14Å
46H81.7Confident86.7Confident8 Ų825.1 Ų25.14%0.03713%0.133CC..THydrogen-bonded Turntrans-109.4-15.4-173.1-66.377.2000113.5G43 T44 P281 F286 E319G43-H46 PolarHBondContact O-N 3.31Å; T44-H46 VanDerWaalsContact C-N 3.27Å; T44-H46 PolarHBondContact O-N 2.72Å; H46-P281 PolarHBondContact CE1-O 2.87Å; H46-P281 VanDerWaalsContact CE1-O 3.25Å; H46-P281 PolarHBondContact NE2-O 2.96Å; H46-F286 AromaticContact CD2-CD1 3.47Å; H46-F286 VanDerWaalsContact CD2-CD1 3.47Å; H46-F286 WeakPolarHBondContact CD2-CD1 3.35Å; H46-F286 AromaticContact CD2-CE1 3.35Å; H46-F286 WeakPolarHBondContact CD2-CE1 3.41Å; H46-F286 AromaticContact NE2-CD1 3.91Å; H46-F286 AromaticContact NE2-CE1 3.85Å; H46-E319 HydrophobicContact CB-CB 4.36Å; H46-E319 HydrophobicContact CB-CG 3.93Å
47A84.7Confident85.6Confident18 Ų1825.3 Ų25.315%0.14914%0.138CC..  trans-53141.1-178.600000112.6G43 G49 A148 E319 L350G43-A47 PolarHBondContact O-N 2.72Å; G43-A47 VanDerWaalsContact O-N 3.1Å; A47-G49 PolarHBondContact O-N 3.09Å; A47-G49 VanDerWaalsContact O-N 3.12Å; A47-A148 HydrophobicContact CB-CB 4.2Å; A47-E319 WeakPolarHBondContact CA-OE2 3.4Å; A47-L350 HydrophobicContact CB-CD1 4.07Å
48D83Confident84.8Confident27 Ų2722.4 Ų22.414%0.14413%0.125CC..  trans-59.7-22.7176.556.530.5000113.4L50 Y251 R253D48-L50 HydrophobicContact CB-CG 4.46Å; D48-L50 WeakPolarHBondContact OD1-CB 3.31Å; D48-L50 PolarHBondContact OD1-N 3.16Å; D48-Y251 HydrophobicContact CB-CE2 4.24Å; D48-Y251 VanDerWaalsContact OD2-CZ 3.26Å; D48-Y251 PolarHBondContact OD2-OH 3.47Å; D48-R253 PolarHBondContact O-NE 2.82Å; D48-R253 PolarHBondContact O-NH2 2.97Å
49G89.1Confident83.7Confident2 Ų218.1 Ų18.12%0.02112%0.115CC..  trans88.50.3-177.200000114.1A47 F145 V146 L350A47-G49 PolarHBondContact O-N 3.09Å; A47-G49 VanDerWaalsContact O-N 3.12Å; G49-F145 CarbonylContact O-C 3.56Å; G49-F145 WeakPolarHBondContact O-CA 3.48Å; G49-F145 VanDerWaalsContact O-CB 3.31Å; G49-F145 WeakPolarHBondContact O-CB 3.36Å; G49-V146 VanDerWaalsContact CA-O 3.22Å; G49-V146 WeakPolarHBondContact CA-O 3.37Å; G49-V146 PolarHBondContact O-N 2.82Å; G49-L350 VanDerWaalsContact CA-CD1 3.41Å
50L92.6Very high83Confident13 Ų1317.2 Ų17.27%0.06811%0.112CC..EExtended strand (participates in β ladder)trans-61.3139.5178.6-70.1-175.7000111.3D48 V242 Y251 R253D48-L50 HydrophobicContact CB-CG 4.46Å; D48-L50 WeakPolarHBondContact OD1-CB 3.31Å; D48-L50 PolarHBondContact OD1-N 3.16Å; L50-V242 HydrophobicContact CD2-CB 4.35Å; L50-V242 HydrophobicContact CD2-CG1 3.51Å; L50-V242 HydrophobicContact CD2-CG2 3.87Å; L50-Y251 HydrophobicContact CD1-CD1 3.79Å; L50-Y251 HydrophobicContact CD1-CD2 3.45Å; L50-Y251 VanDerWaalsContact CD1-CD2 3.45Å; L50-Y251 HydrophobicContact CD1-CE1 4.05Å; L50-Y251 HydrophobicContact CD1-CE2 3.71Å; L50-Y251 HydrophobicContact CD1-CG 3.48Å; L50-Y251 VanDerWaalsContact CD1-CG 3.48Å; L50-Y251 HydrophobicContact CG-CD2 4.33Å; L50-Y251 HydrophobicContact CG-CE2 4.41Å; L50-R253 HydrophobicContact CD2-CB 4.21Å; L50-R253 HydrophobicContact CD2-CG 4.38Å
51L91.4Very high82.8Confident0 Ų017.1 Ų17.10%011%0.111CC..EExtended strand (participates in β ladder)trans-13995.9178.1-169.879.3000107.3L69 Y72 F85 D143 G144 V146 L350 S351L51-L69 HydrophobicContact CD2-CD2 3.35Å; L51-L69 HydrophobicContact CD2-CG 4.3Å; L51-L69 HydrophobicContact CG-CD2 3.78Å; L51-Y72 HydrophobicContact CD1-CD2 4.08Å; L51-Y72 HydrophobicContact CD1-CE2 3.72Å; L51-Y72 HydrophobicContact CD2-CD2 3.66Å; L51-Y72 HydrophobicContact CD2-CE2 4.17Å; L51-F85 HydrophobicContact CD2-CD2 3.94Å; L51-F85 HydrophobicContact CD2-CE1 4.31Å; L51-F85 HydrophobicContact CD2-CE2 3.54Å; L51-F85 HydrophobicContact CD2-CZ 3.75Å; L51-D143 VanDerWaalsContact O-CB 3.24Å; L51-D143 WeakPolarHBondContact O-CB 3.25Å; L51-G144 CarbonylContact C-O 3.59Å; L51-G144 PolarHBondContact N-O 2.73Å; L51-G144 PolarHBondContact O-N 2.95Å; L51-G144 VanDerWaalsContact O-O 3.07Å; L51-V146 HydrophobicContact CB-CG1 4.41Å; L51-V146 HydrophobicContact CD2-CG1 3.92Å; L51-L350 HydrophobicContact CD1-CB 4.21Å; L51-S351 VanDerWaalsContact CD1-CA 3.45Å
52T88.5Confident82.8Confident13 Ų1317.3 Ų17.38%0.0811%0.11CC..  trans-115.6136.3-171.965.20000111.3Y54 H55 V65 T90T52-Y54 VanDerWaalsContact C-N 3.33Å; T52-H55 PolarHBondContact O-CE1 2.8Å; T52-V65 WeakPolarHBondContact O-CG1 3.42Å; T52-T90 HydrophobicContact CG2-CG2 4.26Å
53Y88.2Confident82.9Confident14 Ų1422.7 Ų22.76%0.05512%0.12CC..  trans-77.3-23.1178.7-170.9-122.8000112.5H55 K62 V65 A66 L69 R113 T140 D143Y53-H55 PolarHBondContact O-N 3.19Å; Y53-H55 PolarHBondContact O-ND1 3.28Å; Y53-K62 HydrophobicContact CE1-CD 4.42Å; Y53-K62 HydrophobicContact CE1-CG 4.45Å; Y53-K62 HydrophobicContact CE2-CG 3.92Å; Y53-K62 WeakPolarHBondContact OH-CE 3.45Å; Y53-V65 HydrophobicContact CD2-CG1 4.12Å; Y53-A66 HydrophobicContact CE2-CB 3.88Å; Y53-L69 HydrophobicContact CD2-CD1 3.55Å; Y53-L69 HydrophobicContact CE2-CD1 4.41Å; Y53-L69 HydrophobicContact CG-CD1 4.13Å; Y53-R113 HydrophobicContact CD1-CB 4.08Å; Y53-R113 HydrophobicContact CE1-CB 3.78Å; Y53-R113 HydrophobicContact CE1-CG 3.84Å; Y53-T140 HydrophobicContact CD1-CG2 4.1Å; Y53-T140 HydrophobicContact CG-CG2 4.28Å; Y53-D143 PolarHBondContact N-OD2 3.03Å
54Y86.2Confident83.3Confident8 Ų822.1 Ų22.13%0.03111%0.113CC..  trans-65.2112.7-173.4-176.5-94.1000112.5T52 R92 E102 Y106 L138T52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-R92 VanDerWaalsContact CD1-CZ 3.44Å; Y54-R92 VanDerWaalsContact CE1-CZ 3.48Å; Y54-E102 PolarHBondContact OH-OE1 2.87Å; Y54-Y106 AromaticContact CD2-CD1 3.99Å; Y54-Y106 HydrophobicContact CD2-CD1 3.99Å; Y54-Y106 HydrophobicContact CD2-CD2 4.02Å; Y54-Y106 AromaticContact CD2-CE1 3.83Å; Y54-Y106 HydrophobicContact CD2-CE1 3.83Å; Y54-Y106 AromaticContact CD2-CE2 3.88Å; Y54-Y106 HydrophobicContact CD2-CE2 3.88Å; Y54-Y106 HydrophobicContact CD2-CG 4.06Å; Y54-Y106 AromaticContact CD2-CZ 3.78Å; Y54-Y106 AromaticContact CE2-CD1 3.84Å; Y54-Y106 HydrophobicContact CE2-CD1 3.84Å; Y54-Y106 AromaticContact CE2-CD2 3.63Å; Y54-Y106 HydrophobicContact CE2-CD2 3.63Å; Y54-Y106 HydrophobicContact CE2-CE1 4.16Å; Y54-Y106 AromaticContact CE2-CE2 3.99Å; Y54-Y106 HydrophobicContact CE2-CE2 3.99Å; Y54-Y106 AromaticContact CE2-CG 3.54Å; Y54-Y106 HydrophobicContact CE2-CG 3.54Å; Y54-L138 HydrophobicContact CD2-CD2 3.52Å; Y54-L138 HydrophobicContact CE2-CD2 3.73Å
55H77.5Confident83.5Confident21 Ų2121.8 Ų21.810%0.09711%0.111CC..  trans-140.4104.4175.5-74.476.5000109.6T52 Y53 Y352T52-H55 PolarHBondContact O-CE1 2.8Å; Y53-H55 PolarHBondContact O-N 3.19Å; Y53-H55 PolarHBondContact O-ND1 3.28Å; H55-Y352 AromaticContact CD2-CE1 3.88Å; H55-Y352 AromaticContact CD2-CZ 3.93Å; H55-Y352 PolarHBondContact CD2-OH 2.74Å; H55-Y352 AromaticContact CE1-CE1 3.94Å; H55-Y352 AromaticContact NE2-CE1 3.26Å; H55-Y352 VanDerWaalsContact NE2-CE1 3.26Å; H55-Y352 WeakPolarHBondContact NE2-CE1 3.23Å; H55-Y352 AromaticContact NE2-CZ 3.34Å; H55-Y352 VanDerWaalsContact NE2-CZ 3.34Å; H55-Y352 PolarHBondContact NE2-OH 3.14Å
56Y67.5Low83.8Confident8 Ų821.1 Ų21.13%0.03111%0.107CC..SBendtrans-83.7-43.9-171.9-173.6-100.2000114E102 R105 Y106 Q404 L408Y56-E102 HydrophobicContact CE2-CG 4.33Å; Y56-R105 HydrophobicContact CE2-CG 4.39Å; Y56-R105 WeakPolarHBondContact OH-CD 3.49Å; Y56-R105 WeakPolarHBondContact OH-CG 3.17Å; Y56-R105 PolarHBondContact OH-NE 3.1Å; Y56-R105 VanDerWaalsContact OH-NE 3.08Å; Y56-Y106 HydrophobicContact CD2-CD2 4.08Å; Y56-Q404 HydrophobicContact CD1-CB 4.5Å; Y56-L408 HydrophobicContact CE1-CD1 3.84Å; Y56-L408 HydrophobicContact CE1-CD2 3.96Å; Y56-L408 HydrophobicContact CE1-CG 3.89Å; Y56-L408 WeakPolarHBondContact OH-CD1 3.32Å
57I67.9Low84.4Confident63 Ų6323.7 Ų23.732%0.32312%0.117SC..SBendtrans-83.7-41.5-166.3-56.5169.5000111.7P59 F328 Q404 T407I57-P59 WeakPolarHBondContact O-CD 3.23Å; I57-F328 HydrophobicContact CB-CZ 4.43Å; I57-F328 HydrophobicContact CG2-CZ 4.33Å; I57-Q404 HydrophobicContact CD1-CB 4.47Å; I57-Q404 HydrophobicContact CD1-CG 4.39Å; I57-T407 HydrophobicContact CD1-CG2 4.33Å; I57-T407 WeakPolarHBondContact CD1-OG1 2.99Å
58A73.3Confident84.9Confident3 Ų322.9 Ų22.93%0.02511%0.11CC..  trans-113.486.6-174.300000111.8S60 F61 F328A58-S60 PolarHBondContact O-N 3.01Å; A58-S60 VanDerWaalsContact O-N 3.16Å; A58-F61 HydrophobicContact CB-CB 4.37Å; A58-F61 HydrophobicContact CB-CD2 3.81Å; A58-F61 HydrophobicContact CB-CG 4.42Å; A58-F61 PolarHBondContact O-N 3.46Å; A58-F61 VanDerWaalsContact O-N 3.09Å; A58-F328 HydrophobicContact CB-CD1 4.33Å; A58-F328 HydrophobicContact CB-CE1 3.41Å; A58-F328 VanDerWaalsContact CB-CE1 3.41Å; A58-F328 HydrophobicContact CB-CZ 3.61Å
59P71.4Confident85.4Confident50 Ų5021.6 Ų21.633%0.32510%0.103SC..Hα-helixtrans-62-23.9-179.925.5-34.4000112.9I57 F61 K62I57-P59 WeakPolarHBondContact O-CD 3.23Å; P59-F61 VanDerWaalsContact C-N 3.29Å; P59-F61 PolarHBondContact O-N 3.14Å; P59-K62 VanDerWaalsContact O-CB 3.23Å; P59-K62 WeakPolarHBondContact O-CB 3.44Å; P59-K62 PolarHBondContact O-N 2.95Å
60S79.7Confident85.6Confident17 Ų1725.3 Ų25.312%0.11912%0.122CC..Hα-helixtrans-59.9-38.2174.9-470000111.9A58 K62 E375A58-S60 PolarHBondContact O-N 3.01Å; A58-S60 VanDerWaalsContact O-N 3.16Å; S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.07Å; S60-E375 PolarHBondContact OG-OE1 3.32Å
61F87.2Confident85.7Confident0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-70.7-27.2177.4-84.7-102.8000113.1A58 P59 R63 L64 V65 F328 P329 Y352 L373 E375 A376A58-F61 HydrophobicContact CB-CB 4.37Å; A58-F61 HydrophobicContact CB-CD2 3.81Å; A58-F61 HydrophobicContact CB-CG 4.42Å; A58-F61 PolarHBondContact O-N 3.46Å; A58-F61 VanDerWaalsContact O-N 3.09Å; P59-F61 VanDerWaalsContact C-N 3.29Å; P59-F61 PolarHBondContact O-N 3.14Å; F61-R63 PolarHBondContact O-N 3.09Å; F61-R63 VanDerWaalsContact O-N 3.14Å; F61-L64 HydrophobicContact CD1-CD1 3.79Å; F61-L64 HydrophobicContact CE1-CD1 4.12Å; F61-L64 HydrophobicContact CG-CD1 4.17Å; F61-L64 WeakPolarHBondContact O-CA 3.49Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.34Å; F61-L64 PolarHBondContact O-N 2.86Å; F61-V65 WeakPolarHBondContact O-CG2 3.17Å; F61-V65 PolarHBondContact O-N 3.42Å; F61-F328 HydrophobicContact CD2-CD1 4.27Å; F61-F328 HydrophobicContact CD2-CE1 4.47Å; F61-F328 AromaticContact CE2-CD1 3.92Å; F61-F328 HydrophobicContact CE2-CD1 3.92Å; F61-F328 HydrophobicContact CZ-CD1 4.08Å; F61-P329 HydrophobicContact CE1-CG 3.67Å; F61-P329 HydrophobicContact CZ-CG 3.8Å; F61-Y352 HydrophobicContact CB-CE1 4.25Å; F61-Y352 AromaticContact CD1-CD1 3.78Å; F61-Y352 HydrophobicContact CD1-CD1 3.78Å; F61-Y352 HydrophobicContact CD1-CD2 4.21Å; F61-Y352 AromaticContact CD1-CE1 3.59Å; F61-Y352 HydrophobicContact CD1-CE1 3.59Å; F61-Y352 HydrophobicContact CD1-CE2 4.02Å; F61-Y352 HydrophobicContact CD1-CG 4.12Å; F61-Y352 AromaticContact CD1-CZ 3.73Å; F61-Y352 HydrophobicContact CE1-CD1 4.47Å; F61-Y352 HydrophobicContact CE1-CD2 4.17Å; F61-Y352 HydrophobicContact CE1-CE1 4.45Å; F61-Y352 HydrophobicContact CE1-CE2 4.12Å; F61-Y352 HydrophobicContact CE1-CG 4.37Å; F61-Y352 HydrophobicContact CG-CE1 4.38Å; F61-L373 HydrophobicContact CD2-CD1 3.63Å; F61-L373 HydrophobicContact CE2-CD1 3.51Å; F61-L373 HydrophobicContact CE2-CG 4.06Å; F61-L373 HydrophobicContact CG-CD1 4.3Å; F61-L373 HydrophobicContact CZ-CD1 4.11Å; F61-L373 HydrophobicContact CZ-CD2 4.47Å; F61-L373 HydrophobicContact CZ-CG 4.36Å; F61-E375 HydrophobicContact CE2-CB 4.12Å; F61-A376 HydrophobicContact CE2-CB 4.36Å; F61-A376 HydrophobicContact CZ-CB 3.91Å
62K86.9Confident85.9Confident13 Ų1325.6 Ų25.66%0.05712%0.124CC..Hα-helixtrans-56.5-34.7179.4-166.5174.8-175.3-175.70112.4Y53 P59 S60 V65 A66 Y106 S110 E111Y53-K62 HydrophobicContact CE1-CD 4.42Å; Y53-K62 HydrophobicContact CE1-CG 4.45Å; Y53-K62 HydrophobicContact CE2-CG 3.92Å; Y53-K62 WeakPolarHBondContact OH-CE 3.45Å; P59-K62 VanDerWaalsContact O-CB 3.23Å; P59-K62 WeakPolarHBondContact O-CB 3.44Å; P59-K62 PolarHBondContact O-N 2.95Å; S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.07Å; K62-V65 PolarHBondContact O-N 3.32Å; K62-A66 WeakPolarHBondContact O-CB 3.44Å; K62-A66 PolarHBondContact O-N 3.47Å; K62-Y106 PolarHBondContact NZ-OH 3.17Å; K62-S110 VanDerWaalsContact NZ-CB 3.33Å; K62-S110 PolarHBondContact NZ-OG 2.98Å; K62-E111 PolarHBondContact NZ-O 2.87Å
63R87.8Confident86Confident150 Ų15027.3 Ų27.357%0.56614%0.144SC*.Hα-helixtrans-66.1-38.4174.6-174179.2-177.7-177.82.8112.4F61 Y67 F371F61-R63 PolarHBondContact O-N 3.09Å; F61-R63 VanDerWaalsContact O-N 3.14Å; R63-Y67 PolarHBondContact O-N 3.4Å; R63-Y67 VanDerWaalsContact O-N 3.1Å; R63-F371 HydrophobicContact CG-CZ 4.43Å; R63-F371 VanDerWaalsContact NH1-CD1 3.3Å
64L92.3Very high85.9Confident3 Ų329.4 Ų29.42%0.01617%0.17CC..Hα-helixtrans-64.3-45.8176.3-59.6170.8000110.1F61 Y67 S68 G355 I356 F371 L373F61-L64 HydrophobicContact CD1-CD1 3.79Å; F61-L64 HydrophobicContact CE1-CD1 4.12Å; F61-L64 HydrophobicContact CG-CD1 4.17Å; F61-L64 WeakPolarHBondContact O-CA 3.49Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.34Å; F61-L64 PolarHBondContact O-N 2.86Å; L64-Y67 PolarHBondContact O-N 2.98Å; L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.17Å; L64-S68 VanDerWaalsContact O-OG 3.13Å; L64-G355 VanDerWaalsContact CD2-C 3.45Å; L64-G355 WeakPolarHBondContact CD2-O 3.33Å; L64-G355 WeakPolarHBondContact O-CA 3.47Å; L64-I356 HydrophobicContact CD1-CD1 3.53Å; L64-I356 HydrophobicContact CD1-CG1 4.19Å; L64-I356 HydrophobicContact CD2-CD1 4.27Å; L64-F371 HydrophobicContact CD2-CE2 4.44Å; L64-F371 HydrophobicContact CD2-CZ 3.63Å; L64-F371 HydrophobicContact CG-CZ 4.11Å; L64-L373 HydrophobicContact CD1-CD1 3.96Å; L64-L373 HydrophobicContact CD1-CD2 3.9Å
65V92.3Very high86Confident0 Ų029.9 Ų29.90%017%0.173CC..Hα-helixtrans-66.7-43.3179.6-175.70000111.6T52 Y53 F61 K62 Y67 S68 L69 S351 Y352T52-V65 WeakPolarHBondContact O-CG1 3.42Å; Y53-V65 HydrophobicContact CD2-CG1 4.12Å; F61-V65 WeakPolarHBondContact O-CG2 3.17Å; F61-V65 PolarHBondContact O-N 3.42Å; K62-V65 PolarHBondContact O-N 3.32Å; V65-Y67 VanDerWaalsContact C-N 3.25Å; V65-Y67 PolarHBondContact O-N 3.5Å; V65-S68 PolarHBondContact O-N 3.37Å; V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 HydrophobicContact CG1-CG 4.37Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 WeakPolarHBondContact O-CG 3.41Å; V65-L69 PolarHBondContact O-N 3Å; V65-S351 WeakPolarHBondContact CA-O 3.3Å; V65-Y352 HydrophobicContact CG2-CD1 3.54Å; V65-Y352 HydrophobicContact CG2-CE1 3.47Å; V65-Y352 VanDerWaalsContact CG2-CE1 3.47Å
66A91.5Very high85.9Confident13 Ų1338.3 Ų38.311%0.10721%0.209CC..Hα-helixtrans-53.6-46.5173.200000111.2Y53 K62 L69 D70Y53-A66 HydrophobicContact CE2-CB 3.88Å; K62-A66 WeakPolarHBondContact O-CB 3.44Å; K62-A66 PolarHBondContact O-N 3.47Å; A66-L69 PolarHBondContact O-N 3.08Å; A66-D70 WeakPolarHBondContact O-CB 3.42Å; A66-D70 PolarHBondContact O-N 3.38Å
67Y94.3Very high86Confident62 Ų6239.1 Ų39.124%0.24322%0.216CC..Hα-helixtrans-64.9-44.5178.4-177.8-91.3000112.3H22 R63 L64 V65 L69 D70 L71 G354 K358H22-Y67 AromaticContact NE2-CE1 3.36Å; H22-Y67 WeakPolarHBondContact NE2-CE1 3.18Å; H22-Y67 AromaticContact NE2-CZ 3.63Å; H22-Y67 PolarHBondContact NE2-OH 3.14Å; R63-Y67 PolarHBondContact O-N 3.4Å; R63-Y67 VanDerWaalsContact O-N 3.1Å; L64-Y67 PolarHBondContact O-N 2.98Å; V65-Y67 VanDerWaalsContact C-N 3.25Å; V65-Y67 PolarHBondContact O-N 3.5Å; Y67-L69 PolarHBondContact O-N 3.31Å; Y67-D70 PolarHBondContact O-N 3.37Å; Y67-L71 HydrophobicContact CE1-CB 4.31Å; Y67-L71 HydrophobicContact CE1-CD2 4.11Å; Y67-L71 VanDerWaalsContact O-CB 3.28Å; Y67-L71 WeakPolarHBondContact O-CB 3.44Å; Y67-L71 PolarHBondContact O-N 3Å; Y67-G354 WeakPolarHBondContact CE1-O 3.5Å; Y67-K358 HydrophobicContact CD1-CB 4.3Å; Y67-K358 HydrophobicContact CD1-CD 4.43Å; Y67-K358 HydrophobicContact CD2-CD 3.96Å; Y67-K358 HydrophobicContact CE1-CB 3.85Å; Y67-K358 HydrophobicContact CE1-CD 4.06Å; Y67-K358 HydrophobicContact CE1-CG 4.46Å; Y67-K358 HydrophobicContact CE2-CD 3.58Å; Y67-K358 HydrophobicContact CG-CD 4.38Å
68S95Very high85.9Confident0 Ų041.7 Ų41.70%023%0.231CC..Hα-helixtrans-57.9-47.3175.9-600000111.5L64 V65 D70 L71 Y72 S351 G354 G355L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.17Å; L64-S68 VanDerWaalsContact O-OG 3.13Å; V65-S68 PolarHBondContact O-N 3.37Å; S68-D70 PolarHBondContact O-N 2.97Å; S68-L71 PolarHBondContact O-N 3Å; S68-Y72 WeakPolarHBondContact O-CB 3.45Å; S68-Y72 VanDerWaalsContact O-CD1 3.28Å; S68-Y72 WeakPolarHBondContact O-CD1 3.36Å; S68-Y72 WeakPolarHBondContact O-CD2 3.34Å; S68-Y72 PolarHBondContact O-N 2.86Å; S68-S351 WeakPolarHBondContact CB-O 3.2Å; S68-S351 PolarHBondContact OG-O 3.39Å; S68-G354 WeakPolarHBondContact OG-CA 3.45Å; S68-G354 PolarHBondContact OG-N 3.4Å; S68-G355 PolarHBondContact OG-N 3.46Å
69L93.4Very high85Confident1 Ų150.7 Ų50.71%0.00527%0.272CS..Hα-helixtrans-59.1-46.3177.8-72.7166.2000112.2L51 Y53 V65 A66 Y67 G73 F85 D143L51-L69 HydrophobicContact CD2-CD2 3.35Å; L51-L69 HydrophobicContact CD2-CG 4.3Å; L51-L69 HydrophobicContact CG-CD2 3.78Å; Y53-L69 HydrophobicContact CD2-CD1 3.55Å; Y53-L69 HydrophobicContact CE2-CD1 4.41Å; Y53-L69 HydrophobicContact CG-CD1 4.13Å; V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 HydrophobicContact CG1-CG 4.37Å; V65-L69 WeakPolarHBondContact O-CB 3.45Å; V65-L69 WeakPolarHBondContact O-CG 3.41Å; V65-L69 PolarHBondContact O-N 3Å; A66-L69 PolarHBondContact O-N 3.08Å; Y67-L69 PolarHBondContact O-N 3.31Å; L69-G73 PolarHBondContact O-N 3.3Å; L69-F85 HydrophobicContact CD2-CE1 4.32Å; L69-F85 HydrophobicContact CD2-CZ 3.81Å; L69-D143 HydrophobicContact CD1-CB 4.28Å; L69-D143 HydrophobicContact CD2-CB 3.77Å
70D93.4Very high84.4Confident79 Ų7957.1 Ų57.142%0.42230%0.297SS..Hα-helixtrans-69-38.2-179.4-66.5-18.1000111.1A66 Y67 S68 G74 R113A66-D70 WeakPolarHBondContact O-CB 3.42Å; A66-D70 PolarHBondContact O-N 3.38Å; Y67-D70 PolarHBondContact O-N 3.37Å; S68-D70 PolarHBondContact O-N 2.97Å; D70-G74 PolarHBondContact O-N 3Å; D70-R113 IonicContact OD1-CZ 2.86Å; D70-R113 IonicContact OD1-NH1 3.11Å; D70-R113 PolarHBondContact OD1-NH1 3.03Å; D70-R113 IonicContact OD1-NH2 2.92Å; D70-R113 PolarHBondContact OD1-NH2 3.35Å; D70-R113 IonicContact OD2-CZ 3.51Å; D70-R113 IonicContact OD2-NH1 2.96Å; D70-R113 IonicContact OD2-NH2 3.61Å; D70-R113 PolarHBondContact OD2-NH2 3.44Å
71L94.9Very high83.5Confident20 Ų2060.3 Ų60.311%0.10531%0.31CS..Hα-helixtrans-61.4-53.7173.4175.863.8000110.7Y21 Y67 S68 G73 G74 L75 L155Y21-L71 HydrophobicContact CE1-CD1 4.19Å; Y67-L71 HydrophobicContact CE1-CB 4.31Å; Y67-L71 HydrophobicContact CE1-CD2 4.11Å; Y67-L71 VanDerWaalsContact O-CB 3.28Å; Y67-L71 WeakPolarHBondContact O-CB 3.44Å; Y67-L71 PolarHBondContact O-N 3Å; S68-L71 PolarHBondContact O-N 3Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-G73 PolarHBondContact O-N 3.36Å; L71-G74 PolarHBondContact O-N 3.39Å; L71-L75 HydrophobicContact CD1-CD2 4.42Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 3.41Å; L71-L155 HydrophobicContact CD2-CD2 4.31Å
72Y94.2Very high82.6Confident0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-65.8-37-175.6-56.7-13.8000111.9L51 S68 G74 L75 V146 L151 L350 A353 G354L51-Y72 HydrophobicContact CD1-CD2 4.08Å; L51-Y72 HydrophobicContact CD1-CE2 3.72Å; L51-Y72 HydrophobicContact CD2-CD2 3.66Å; L51-Y72 HydrophobicContact CD2-CE2 4.17Å; S68-Y72 WeakPolarHBondContact O-CB 3.45Å; S68-Y72 VanDerWaalsContact O-CD1 3.28Å; S68-Y72 WeakPolarHBondContact O-CD1 3.36Å; S68-Y72 WeakPolarHBondContact O-CD2 3.34Å; S68-Y72 PolarHBondContact O-N 2.86Å; Y72-G74 PolarHBondContact O-N 2.87Å; Y72-L75 HydrophobicContact CD1-CD1 4Å; Y72-L75 WeakPolarHBondContact O-CB 3.29Å; Y72-L75 PolarHBondContact O-N 3.22Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; Y72-V146 HydrophobicContact CD2-CG1 4.24Å; Y72-L151 HydrophobicContact CD1-CD1 3.65Å; Y72-L151 HydrophobicContact CD1-CD2 4.47Å; Y72-L151 HydrophobicContact CD2-CD2 4.21Å; Y72-L151 HydrophobicContact CE1-CD1 3.77Å; Y72-L151 HydrophobicContact CE1-CD2 4.08Å; Y72-L151 HydrophobicContact CE1-CG 4.48Å; Y72-L151 HydrophobicContact CE2-CD2 3.78Å; Y72-L151 HydrophobicContact CG-CD1 4.1Å; Y72-L350 WeakPolarHBondContact CE2-O 3.46Å; Y72-L350 PolarHBondContact OH-O 3.08Å; Y72-A353 WeakPolarHBondContact OH-CB 3.38Å; Y72-G354 PolarHBondContact OH-N 2.87Å
73G90.2Very high82.2Confident49 Ų4964.6 Ų64.651%0.50535%0.348SS..Hα-helixtrans-63.3-20.9174.100000114.1L69 L71L69-G73 PolarHBondContact O-N 3.3Å; L71-G73 VanDerWaalsContact C-N 3.34Å; L71-G73 PolarHBondContact O-N 3.36Å
74G86.8Confident82Confident58 Ų5857.5 Ų57.560%0.59832%0.322SS*.THydrogen-bonded Turntrans-93.5-5.2174.800000114.8D70 L71 Y72 K76D70-G74 PolarHBondContact O-N 3Å; L71-G74 PolarHBondContact O-N 3.39Å; Y72-G74 PolarHBondContact O-N 2.87Å; G74-K76 PolarHBondContact O-N 2.87Å
75L87.8Confident82Confident18 Ų1857.7 Ų57.79%0.09432%0.323CS..PPolyproline II helixtrans-74.2124-176.5-64.7-177.9000111.2L71 Y72 L151 V154 M158L71-L75 HydrophobicContact CD1-CD2 4.42Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 3.41Å; Y72-L75 HydrophobicContact CD1-CD1 4Å; Y72-L75 WeakPolarHBondContact O-CB 3.29Å; Y72-L75 PolarHBondContact O-N 3.22Å; Y72-L75 VanDerWaalsContact O-N 3.1Å; L75-L151 HydrophobicContact CD1-CD1 3.55Å; L75-V154 HydrophobicContact CB-CG1 4.29Å; L75-V154 HydrophobicContact CD1-CG1 4.01Å; L75-V154 HydrophobicContact CD2-CG1 4.17Å; L75-V154 HydrophobicContact CG-CG1 4.38Å; L75-M158 HydrophobicContact CD2-CE 3.74Å; L75-M158 HydrophobicContact CD2-SD 3.29Å; L75-M158 WeakPolarHBondContact CD2-SD 3.09Å
76K75.2Confident82Confident197 Ų19761.6 Ų61.686%0.85734%0.341SS*.PPolyproline II helixtrans-92.9116.7167.1-63.4-174.8179.8-175.80108.3G74G74-K76 PolarHBondContact O-N 2.87Å
77C70.6Confident81.9Confident25 Ų2567.3 Ų67.317%0.16936%0.359CS..PPolyproline II helixtrans-86.5164166.4-53.10000108.6E81 G82 C84 V154C77-E81 HydrophobicContact CB-CB 4.4Å; C77-G82 WeakPolarHBondContact CB-O 3.36Å; C77-G82 PolarHBondContact SG-O 3.19Å; C77-G82 VanDerWaalsContact SG-O 3.36Å; C77-C84 PolarHBondContact SG-N 2.8Å; C77-C84 VanDerWaalsContact SG-N 3.38Å; C77-V154 HydrophobicContact CB-CG2 4.49Å
78D65.6Low81.9Confident118 Ų11865 Ų6563%0.63135%0.352SS*.PPolyproline II helixtrans-58146.1173.7-69.9-22.5000109.8H80 E81D78-H80 PolarHBondContact O-N 2.81Å; D78-E81 PolarHBondContact O-N 3.28Å
79E54.5Low81.9Confident192 Ų19265 Ų6590%0.89735%0.352SS*.THydrogen-bonded Turntrans-54-24.3-172.9-67.5-176.8168.500113.2
80H59.1Low82Confident184 Ų18465 Ų6585%0.85235%0.353SS*.THydrogen-bonded Turntrans-85.4-19.7178.8-57.7-47.5000114.9D78D78-H80 PolarHBondContact O-N 2.81Å
81E61.2Low82.2Confident84 Ų8461.3 Ų61.339%0.39333%0.333SS..THydrogen-bonded Turntrans-94.6-13.7-177.1-68.4-166.7126.500113.2C77 D78 L150 R153C77-E81 HydrophobicContact CB-CB 4.4Å; D78-E81 PolarHBondContact O-N 3.28Å; E81-L150 HydrophobicContact CB-CD1 4.09Å; E81-L150 HydrophobicContact CB-CD2 4.17Å; E81-L150 VanDerWaalsContact CD-CD1 3.42Å; E81-L150 HydrophobicContact CG-CD1 4.34Å; E81-L150 WeakPolarHBondContact OE2-CD1 3.49Å; E81-R153 IonicContact OE1-CZ 2.85Å; E81-R153 IonicContact OE1-NE 3.84Å; E81-R153 IonicContact OE1-NH2 3.05Å; E81-R153 PolarHBondContact OE1-NH2 2.8Å
82G67Low82.2Confident41 Ų4160.7 Ų60.742%0.42333%0.329SS..  trans66.1178.2-176.700000112.9C77 C84C77-G82 WeakPolarHBondContact CB-O 3.36Å; C77-G82 PolarHBondContact SG-O 3.19Å; C77-G82 VanDerWaalsContact SG-O 3.36Å; G82-C84 PolarHBondContact O-N 3.27Å
83S78.1Confident82.3Confident62 Ų6260.8 Ų60.843%0.43433%0.329SS..  trans-65.4126.7177.9-1770000110.9F85 Q86S83-F85 PolarHBondContact O-N 3.44Å; S83-F85 PolarHBondContact OG-N 3.17Å; S83-F85 VanDerWaalsContact OG-N 3.11Å; S83-F85 PolarHBondContact OG-O 3.08Å; S83-Q86 PolarHBondContact O-NE2 2.94Å
84C85.3Confident82.5Confident1 Ų158.4 Ų58.41%0.00731%0.305CS..SBendtrans-65.4-15.9169.370.20000113.1C77 G82 V146 N147 L150C77-C84 PolarHBondContact SG-N 2.8Å; C77-C84 VanDerWaalsContact SG-N 3.38Å; G82-C84 PolarHBondContact O-N 3.27Å; C84-V146 CarbonylContact O-C 3.48Å; C84-V146 WeakPolarHBondContact O-CA 3.25Å; C84-V146 WeakPolarHBondContact O-CB 3.43Å; C84-N147 PolarHBondContact O-N 3.01Å; C84-L150 HydrophobicContact CB-CB 4.21Å; C84-L150 HydrophobicContact CB-CD2 3.67Å; C84-L150 HydrophobicContact CB-CG 3.67Å
85F91.8Very high82.8Confident8 Ų857.3 Ų57.34%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-121.5121.2-179.8179.2-148.6000111.5L51 L69 S83 R87 F145 V146L51-F85 HydrophobicContact CD2-CD2 3.94Å; L51-F85 HydrophobicContact CD2-CE1 4.31Å; L51-F85 HydrophobicContact CD2-CE2 3.54Å; L51-F85 HydrophobicContact CD2-CZ 3.75Å; L69-F85 HydrophobicContact CD2-CE1 4.32Å; L69-F85 HydrophobicContact CD2-CZ 3.81Å; S83-F85 PolarHBondContact O-N 3.44Å; S83-F85 PolarHBondContact OG-N 3.17Å; S83-F85 VanDerWaalsContact OG-N 3.11Å; S83-F85 PolarHBondContact OG-O 3.08Å; F85-R87 HydrophobicContact CD1-CB 4.45Å; F85-R87 HydrophobicContact CE1-CB 3.94Å; F85-R87 HydrophobicContact CE1-CG 4.13Å; F85-R87 HydrophobicContact CE2-CB 4.34Å; F85-R87 HydrophobicContact CZ-CB 3.86Å; F85-R87 HydrophobicContact CZ-CG 3.98Å; F85-F145 WeakPolarHBondContact CD2-O 3.2Å; F85-V146 HydrophobicContact CB-CG1 3.84Å; F85-V146 HydrophobicContact CD2-CG1 3.5Å; F85-V146 VanDerWaalsContact CD2-CG1 3.5Å; F85-V146 HydrophobicContact CE2-CG1 4.39Å; F85-V146 HydrophobicContact CG-CG1 3.91Å
86Q91.2Very high82.9Confident81 Ų8159.1 Ų59.138%0.37930%0.299SS..EExtended strand (participates in β ladder)trans-97.998.2172.3-60.9-60.3-36.100108.8S83 C88 F145S83-Q86 PolarHBondContact O-NE2 2.94Å; Q86-C88 PolarHBondContact O-N 3.04Å; Q86-F145 HydrophobicContact CB-CD1 4.08Å; Q86-F145 HydrophobicContact CB-CD2 4.08Å; Q86-F145 HydrophobicContact CB-CE1 3.68Å; Q86-F145 HydrophobicContact CB-CE2 3.68Å; Q86-F145 HydrophobicContact CB-CG 4.27Å; Q86-F145 HydrophobicContact CB-CZ 3.47Å; Q86-F145 VanDerWaalsContact CB-CZ 3.47Å; Q86-F145 HydrophobicContact CG-CD2 4.2Å; Q86-F145 HydrophobicContact CG-CE1 4.31Å; Q86-F145 HydrophobicContact CG-CE2 3.51Å; Q86-F145 HydrophobicContact CG-CZ 3.57Å; Q86-F145 PolarHBondContact N-O 2.84Å; Q86-F145 PolarHBondContact O-N 2.85Å; Q86-F145 VanDerWaalsContact O-N 3.15Å
87R91.2Very high83.7Confident133 Ų13352.7 Ų52.750%0.50228%0.278SS..  trans-81.860.9179.1-169.3174.4167.8160.45.6111.1F85 G89 C142 D143F85-R87 HydrophobicContact CD1-CB 4.45Å; F85-R87 HydrophobicContact CE1-CB 3.94Å; F85-R87 HydrophobicContact CE1-CG 4.13Å; F85-R87 HydrophobicContact CE2-CB 4.34Å; F85-R87 HydrophobicContact CZ-CB 3.86Å; F85-R87 HydrophobicContact CZ-CG 3.98Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-C142 WeakPolarHBondContact CG-O 3.37Å; R87-C142 PolarHBondContact NE-O 2.95Å; R87-C142 VanDerWaalsContact NH2-CB 3.27Å; R87-D143 CarbonylContact C-O 3.57Å; R87-D143 WeakPolarHBondContact CA-O 3.33Å
88C92.9Very high84.5Confident13 Ų1357.4 Ų57.49%0.08830%0.302CS..  trans-81.6-11.4179.8590000113.4Q86 D143 P241Q86-C88 PolarHBondContact O-N 3.04Å; C88-D143 PolarHBondContact N-O 2.94Å; C88-P241 WeakPolarHBondContact O-CB 3.32Å; C88-P241 WeakPolarHBondContact O-CG 3.39Å
89G94.9Very high85.6Confident0 Ų052 Ų520%027%0.273CS..  trans79.4174.9-170.300000113.3R87 T140 D143 P241 V242R87-G89 VanDerWaalsContact C-N 3.32Å; G89-T140 CarbonylContact C-O 3.57Å; G89-T140 WeakPolarHBondContact CA-O 3.36Å; G89-D143 VanDerWaalsContact CA-O 3.22Å; G89-D143 WeakPolarHBondContact CA-O 3.46Å; G89-D143 WeakPolarHBondContact CA-OD1 3.23Å; G89-D143 PolarHBondContact N-O 2.85Å; G89-P241 CarbonylContact O-C 3.59Å; G89-P241 WeakPolarHBondContact O-CA 3.33Å; G89-P241 WeakPolarHBondContact O-CB 3.42Å; G89-V242 PolarHBondContact O-N 3.1Å
90T96.3Very high87.4Confident3 Ų343.9 Ų43.92%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-132.4131.4179.8-53.90000110.3T52 Y139 T140 D143 V242 E244T52-T90 HydrophobicContact CG2-CG2 4.26Å; T90-Y139 CarbonylContact O-C 3.58Å; T90-Y139 WeakPolarHBondContact O-CA 3.37Å; T90-Y139 WeakPolarHBondContact O-CD2 3.46Å; T90-T140 PolarHBondContact N-O 3.25Å; T90-T140 PolarHBondContact O-N 3.03Å; T90-D143 VanDerWaalsContact CB-OD1 3.23Å; T90-D143 WeakPolarHBondContact CB-OD1 3.3Å; T90-D143 PolarHBondContact N-OD1 3.47Å; T90-D143 PolarHBondContact OG1-OD1 3.25Å; T90-D143 PolarHBondContact OG1-OD2 3.14Å; T90-V242 CarbonylContact C-O 3.59Å; T90-V242 WeakPolarHBondContact CA-O 3.4Å; T90-V242 HydrophobicContact CG2-CB 4.06Å; T90-V242 HydrophobicContact CG2-CG1 4.12Å; T90-E244 HydrophobicContact CG2-CG 3.83Å
91L96.8Very high88.9Confident0 Ų039.1 Ų39.10%022%0.218CC..EExtended strand (participates in β ladder)trans-104104.4172-74.2168.3000109.7L93 F117 K125 W126 A137 Y139 P241 V242 I243 E244L91-L93 HydrophobicContact CB-CD2 4.16Å; L91-F117 HydrophobicContact CD2-CD2 3.88Å; L91-F117 HydrophobicContact CD2-CE2 4.37Å; L91-K125 HydrophobicContact CD1-CB 3.97Å; L91-W126 HydrophobicContact CD1-CB 4.14Å; L91-A137 HydrophobicContact CD2-CB 4.44Å; L91-Y139 HydrophobicContact CD2-CD2 3.56Å; L91-Y139 HydrophobicContact CD2-CE2 4.49Å; L91-Y139 HydrophobicContact CD2-CG 4.06Å; L91-Y139 HydrophobicContact CG-CD2 3.9Å; L91-P241 HydrophobicContact CD1-CB 4.19Å; L91-P241 HydrophobicContact CD1-CG 4.23Å; L91-P241 HydrophobicContact CG-CB 4.14Å; L91-V242 PolarHBondContact N-O 3.46Å; L91-I243 WeakPolarHBondContact O-CA 3.23Å; L91-E244 PolarHBondContact O-N 2.92Å
92R95.5Very high90.1Very high8 Ų835.6 Ų35.63%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-89.8107.4172.7-161.3173.1-178.599.5-4.3109.2Y54 F103 A137 L138 E244 P246 Y402Y54-R92 VanDerWaalsContact CD1-CZ 3.44Å; Y54-R92 VanDerWaalsContact CE1-CZ 3.48Å; R92-F103 HydrophobicContact CB-CZ 4.14Å; R92-F103 HydrophobicContact CG-CE1 4.03Å; R92-F103 HydrophobicContact CG-CZ 3.78Å; R92-F103 WeakPolarHBondContact O-CE2 3.38Å; R92-F103 WeakPolarHBondContact O-CZ 3.38Å; R92-A137 CarbonylContact O-C 3.41Å; R92-A137 VanDerWaalsContact O-CA 3.25Å; R92-A137 WeakPolarHBondContact O-CA 3.4Å; R92-L138 HydrophobicContact CB-CB 4.27Å; R92-L138 PolarHBondContact N-O 3.34Å; R92-L138 PolarHBondContact O-N 3.41Å; R92-E244 CarbonylContact C-O 3.59Å; R92-E244 WeakPolarHBondContact CA-O 3.43Å; R92-E244 HydrophobicContact CB-CB 4.35Å; R92-E244 HydrophobicContact CG-CB 3.98Å; R92-E244 IonicContact CZ-OE2 2.85Å; R92-E244 VanDerWaalsContact NH1-CD 3.27Å; R92-E244 IonicContact NH1-OE1 2.78Å; R92-E244 PolarHBondContact NH1-OE1 3.18Å; R92-E244 IonicContact NH1-OE2 3.15Å; R92-E244 PolarHBondContact NH1-OE2 3.42Å; R92-P246 HydrophobicContact CG-CG 3.61Å; R92-Y402 VanDerWaalsContact NH2-CD1 3.34Å
93L95.9Very high91.2Very high1 Ų133.7 Ų33.71%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-86.6132-167-58.8-177.5000112.2L91 V122 I134 A137 I243 E244 H245 P246 L304L91-L93 HydrophobicContact CB-CD2 4.16Å; L93-V122 HydrophobicContact CD2-CG1 3.99Å; L93-V122 HydrophobicContact CD2-CG2 4.4Å; L93-I134 HydrophobicContact CB-CD1 3.96Å; L93-I134 HydrophobicContact CD1-CD1 4.14Å; L93-I134 HydrophobicContact CD2-CD1 4.49Å; L93-I134 HydrophobicContact CG-CD1 4.43Å; L93-A137 HydrophobicContact CD2-CB 3.91Å; L93-I243 HydrophobicContact CD1-CD1 4.43Å; L93-I243 HydrophobicContact CD1-CG1 4.41Å; L93-I243 HydrophobicContact CD1-CG2 3.62Å; L93-I243 HydrophobicContact CG-CG2 4.14Å; L93-E244 PolarHBondContact N-O 3.46Å; L93-H245 PolarHBondContact O-CD2 3.11Å; L93-P246 VanDerWaalsContact O-CD 3.23Å; L93-P246 WeakPolarHBondContact O-CD 3.28Å; L93-L304 HydrophobicContact CD1-CD2 3.65Å
94A94.2Very high91.8Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-105.8119.9172.500000111.4C99 V100 F103 K135 G136A94-C99 HydrophobicContact CB-CB 3.73Å; A94-V100 HydrophobicContact CB-CG2 3.64Å; A94-F103 HydrophobicContact CB-CD2 4.14Å; A94-F103 HydrophobicContact CB-CE2 3.57Å; A94-F103 HydrophobicContact CB-CZ 4.25Å; A94-K135 PolarHBondContact O-N 2.96Å; A94-G136 WeakPolarHBondContact CA-O 3.27Å; A94-G136 WeakPolarHBondContact CB-O 3.45Å; A94-G136 PolarHBondContact N-O 2.81Å; A94-G136 PolarHBondContact O-N 3.16Å
95T93.4Very high91.8Very high35 Ų3542.1 Ų42.122%0.21521%0.207CC..  trans-101.8-11.6172.153.90000112.6K133 I134 K135 H245 T247T95-K133 WeakPolarHBondContact CG2-O 3.48Å; T95-I134 HydrophobicContact CG2-CD1 3.93Å; T95-K135 WeakPolarHBondContact O-CD 3.47Å; T95-H245 WeakPolarHBondContact CG2-NE2 3.46Å; T95-H245 PolarHBondContact OG1-NE2 3.08Å; T95-T247 PolarHBondContact OG1-OG1 3.39Å
96T91Very high91.5Very high55 Ų5541.9 Ų41.934%0.33721%0.206SC..SBendtrans-118.9154.5178.968.30000111.3N98 C99 V100 T247T96-N98 VanDerWaalsContact C-N 3.29Å; T96-N98 PolarHBondContact O-N 3.32Å; T96-C99 PolarHBondContact O-N 2.93Å; T96-C99 WeakPolarHBondContact OG1-CB 3.03Å; T96-C99 PolarHBondContact OG1-N 3.35Å; T96-V100 PolarHBondContact O-N 3.49Å; T96-T247 HydrophobicContact CG2-CG2 4.01Å
97S91.3Very high91.4Very high62 Ų6240.3 Ų40.343%0.43420%0.2SC..Hα-helixtrans-66.6-35.3179-55.50000111.4C99 V100 D101 K135S97-C99 VanDerWaalsContact C-N 3.31Å; S97-C99 PolarHBondContact O-N 3.45Å; S97-V100 WeakPolarHBondContact O-CB 3.42Å; S97-V100 PolarHBondContact O-N 2.82Å; S97-V100 VanDerWaalsContact O-N 3.12Å; S97-D101 PolarHBondContact O-N 3.27Å; S97-K135 PolarHBondContact OG-NZ 2.91Å
98N87.5Confident91.2Very high125 Ų12538.5 Ų38.567%0.66821%0.207SC*.Hα-helixtrans-59.2-41.4175.4-65.51.3000111.9T96 V100 D101 E102T96-N98 VanDerWaalsContact C-N 3.29Å; T96-N98 PolarHBondContact O-N 3.32Å; N98-V100 VanDerWaalsContact C-N 3.32Å; N98-V100 PolarHBondContact O-N 2.9Å; N98-D101 PolarHBondContact O-N 2.91Å; N98-E102 PolarHBondContact O-N 3.36Å
99C89.2Confident90.3Very high4 Ų443.5 Ų43.53%0.02722%0.224CC..Hα-helixtrans-66-35.4177.2-168.40000111.9A94 T96 S97 E102 F103 T247A94-C99 HydrophobicContact CB-CB 3.73Å; T96-C99 PolarHBondContact O-N 2.93Å; T96-C99 WeakPolarHBondContact OG1-CB 3.03Å; T96-C99 PolarHBondContact OG1-N 3.35Å; S97-C99 VanDerWaalsContact C-N 3.31Å; S97-C99 PolarHBondContact O-N 3.45Å; C99-E102 WeakPolarHBondContact O-CB 3.47Å; C99-E102 PolarHBondContact O-N 3.27Å; C99-F103 WeakPolarHBondContact O-CD1 3.24Å; C99-F103 VanDerWaalsContact O-CG 3.25Å; C99-F103 WeakPolarHBondContact O-CG 3.02Å; C99-F103 PolarHBondContact O-N 2.84Å; C99-F103 WeakPolarHBondContact SG-CZ 3.34Å; C99-T247 HydrophobicContact CB-CG2 4.45Å
100V92Very high88.8Confident22 Ų2245.3 Ų45.313%0.13324%0.237CC..Hα-helixtrans-64.3-42.2173.2175.20000111A94 T96 S97 N98 F103 K104 M116 K135A94-V100 HydrophobicContact CB-CG2 3.64Å; T96-V100 PolarHBondContact O-N 3.49Å; S97-V100 WeakPolarHBondContact O-CB 3.42Å; S97-V100 PolarHBondContact O-N 2.82Å; S97-V100 VanDerWaalsContact O-N 3.12Å; N98-V100 VanDerWaalsContact C-N 3.32Å; N98-V100 PolarHBondContact O-N 2.9Å; V100-F103 PolarHBondContact O-N 2.78Å; V100-K104 WeakPolarHBondContact O-CG 3.28Å; V100-K104 PolarHBondContact O-N 2.93Å; V100-M116 HydrophobicContact CG1-CE 4.28Å; V100-K135 HydrophobicContact CG2-CB 3.9Å
101D89.8Confident87.5Confident84 Ų8454.1 Ų54.145%0.44928%0.278SS..Hα-helixtrans-71-32178.6-68.3-26.1000112.3S97 N98 K104 R105S97-D101 PolarHBondContact O-N 3.27Å; N98-D101 PolarHBondContact O-N 2.91Å; D101-K104 PolarHBondContact O-N 3.13Å; D101-K104 IonicContact OD1-NZ 2.68Å; D101-K104 PolarHBondContact OD1-NZ 3.41Å; D101-R105 WeakPolarHBondContact O-CB 3.45Å; D101-R105 PolarHBondContact O-N 3.14Å
102E86.4Confident86.2Confident10 Ų1055.9 Ų55.95%0.04729%0.29CS..Hα-helixtrans-57.1-49.9167.6180-177.8162.300110.9Y54 Y56 N98 C99 K104 R105 Y106 S405Y54-E102 PolarHBondContact OH-OE1 2.87Å; Y56-E102 HydrophobicContact CE2-CG 4.33Å; N98-E102 PolarHBondContact O-N 3.36Å; C99-E102 WeakPolarHBondContact O-CB 3.47Å; C99-E102 PolarHBondContact O-N 3.27Å; E102-K104 PolarHBondContact O-N 2.91Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 PolarHBondContact O-N 2.96Å; E102-R105 VanDerWaalsContact O-N 3.13Å; E102-Y106 PolarHBondContact O-N 3.33Å; E102-S405 VanDerWaalsContact CD-CB 3.45Å; E102-S405 WeakPolarHBondContact OE2-CB 3.37Å; E102-S405 PolarHBondContact OE2-N 3.46Å; E102-S405 PolarHBondContact OE2-OG 2.85Å
103F90.2Very high85.7Confident0 Ų059.8 Ų59.80%031%0.305CS..Hα-helixtrans-62.9-40.9179.8-63.8-10.8000111.9R92 A94 C99 V100 R105 Y106 L107 M116 L138 P246R92-F103 HydrophobicContact CB-CZ 4.14Å; R92-F103 HydrophobicContact CG-CE1 4.03Å; R92-F103 HydrophobicContact CG-CZ 3.78Å; R92-F103 WeakPolarHBondContact O-CE2 3.38Å; R92-F103 WeakPolarHBondContact O-CZ 3.38Å; A94-F103 HydrophobicContact CB-CD2 4.14Å; A94-F103 HydrophobicContact CB-CE2 3.57Å; A94-F103 HydrophobicContact CB-CZ 4.25Å; C99-F103 WeakPolarHBondContact O-CD1 3.24Å; C99-F103 VanDerWaalsContact O-CG 3.25Å; C99-F103 WeakPolarHBondContact O-CG 3.02Å; C99-F103 PolarHBondContact O-N 2.84Å; C99-F103 WeakPolarHBondContact SG-CZ 3.34Å; V100-F103 PolarHBondContact O-N 2.78Å; F103-R105 VanDerWaalsContact C-N 3.31Å; F103-R105 PolarHBondContact O-N 3.34Å; F103-Y106 WeakPolarHBondContact O-CB 3.41Å; F103-Y106 PolarHBondContact O-N 2.92Å; F103-L107 VanDerWaalsContact O-CG 3.31Å; F103-L107 WeakPolarHBondContact O-CG 3.42Å; F103-L107 PolarHBondContact O-N 2.64Å; F103-M116 HydrophobicContact CB-CE 3.72Å; F103-M116 HydrophobicContact CB-SD 4.31Å; F103-M116 HydrophobicContact CD2-SD 4.38Å; F103-L138 HydrophobicContact CB-CB 4.34Å; F103-L138 HydrophobicContact CD1-CB 4.31Å; F103-L138 HydrophobicContact CD2-CB 3.75Å; F103-L138 HydrophobicContact CE2-CB 4.07Å; F103-L138 HydrophobicContact CG-CB 3.88Å; F103-P246 HydrophobicContact CE1-CG 4.45Å; F103-P246 HydrophobicContact CZ-CG 4.29Å
104K90.4Very high85.4Confident113 Ų11360.3 Ų60.349%0.49131%0.31SS..Hα-helixtrans-60-42.2173.3-68.6174.2-167.6153.20111.8V100 D101 E102 L107 S108 M116V100-K104 WeakPolarHBondContact O-CG 3.28Å; V100-K104 PolarHBondContact O-N 2.93Å; D101-K104 PolarHBondContact O-N 3.13Å; D101-K104 IonicContact OD1-NZ 2.68Å; D101-K104 PolarHBondContact OD1-NZ 3.41Å; E102-K104 PolarHBondContact O-N 2.91Å; K104-L107 PolarHBondContact O-N 3.23Å; K104-S108 PolarHBondContact O-N 2.91Å; K104-S108 VanDerWaalsContact O-N 3.12Å; K104-M116 HydrophobicContact CG-CE 3.69Å
105R86.3Confident85.4Confident128 Ų12865.1 Ų65.148%0.48333%0.332SS..Hα-helixtrans-68.5-33.9176.5-177.4168171.6-175.6-1.1112.3Y56 D101 E102 F103 S108 R109Y56-R105 HydrophobicContact CE2-CG 4.39Å; Y56-R105 WeakPolarHBondContact OH-CD 3.49Å; Y56-R105 WeakPolarHBondContact OH-CG 3.17Å; Y56-R105 PolarHBondContact OH-NE 3.1Å; Y56-R105 VanDerWaalsContact OH-NE 3.08Å; D101-R105 WeakPolarHBondContact O-CB 3.45Å; D101-R105 PolarHBondContact O-N 3.14Å; E102-R105 CarbonylContact O-C 3.54Å; E102-R105 PolarHBondContact O-N 2.96Å; E102-R105 VanDerWaalsContact O-N 3.13Å; F103-R105 VanDerWaalsContact C-N 3.31Å; F103-R105 PolarHBondContact O-N 3.34Å; R105-S108 PolarHBondContact O-N 2.93Å; R105-S108 PolarHBondContact O-OG 3.22Å; R105-R109 VanDerWaalsContact O-CG 3.3Å; R105-R109 WeakPolarHBondContact O-CG 3.38Å; R105-R109 PolarHBondContact O-N 2.94Å
106Y85.8Confident85.6Confident3 Ų366.5 Ų66.51%0.01234%0.337CS..Hα-helixtrans-63.1-48172.7172.7-102.6000111.2Y54 Y56 K62 E102 F103 S108 R109 A114 L138Y54-Y106 AromaticContact CD2-CD1 3.99Å; Y54-Y106 HydrophobicContact CD2-CD1 3.99Å; Y54-Y106 HydrophobicContact CD2-CD2 4.02Å; Y54-Y106 AromaticContact CD2-CE1 3.83Å; Y54-Y106 HydrophobicContact CD2-CE1 3.83Å; Y54-Y106 AromaticContact CD2-CE2 3.88Å; Y54-Y106 HydrophobicContact CD2-CE2 3.88Å; Y54-Y106 HydrophobicContact CD2-CG 4.06Å; Y54-Y106 AromaticContact CD2-CZ 3.78Å; Y54-Y106 AromaticContact CE2-CD1 3.84Å; Y54-Y106 HydrophobicContact CE2-CD1 3.84Å; Y54-Y106 AromaticContact CE2-CD2 3.63Å; Y54-Y106 HydrophobicContact CE2-CD2 3.63Å; Y54-Y106 HydrophobicContact CE2-CE1 4.16Å; Y54-Y106 AromaticContact CE2-CE2 3.99Å; Y54-Y106 HydrophobicContact CE2-CE2 3.99Å; Y54-Y106 AromaticContact CE2-CG 3.54Å; Y54-Y106 HydrophobicContact CE2-CG 3.54Å; Y56-Y106 HydrophobicContact CD2-CD2 4.08Å; K62-Y106 PolarHBondContact NZ-OH 3.17Å; E102-Y106 PolarHBondContact O-N 3.33Å; F103-Y106 WeakPolarHBondContact O-CB 3.41Å; F103-Y106 PolarHBondContact O-N 2.92Å; Y106-S108 PolarHBondContact O-N 3.39Å; Y106-R109 PolarHBondContact O-N 3.35Å; Y106-A114 HydrophobicContact CE1-CB 4.31Å; Y106-L138 HydrophobicContact CD1-CD1 4.37Å; Y106-L138 HydrophobicContact CD1-CD2 3.55Å; Y106-L138 HydrophobicContact CE1-CD2 3.75Å; Y106-L138 HydrophobicContact CG-CD2 4.46Å
107L88.5Confident85.9Confident48 Ų4864.7 Ų64.725%0.25132%0.324SS..Hα-helixtrans-60.5-30.7178.2-69.6173.7000112.5F103 K104 S112 A114 M116 L138F103-L107 VanDerWaalsContact O-CG 3.31Å; F103-L107 WeakPolarHBondContact O-CG 3.42Å; F103-L107 PolarHBondContact O-N 2.64Å; K104-L107 PolarHBondContact O-N 3.23Å; L107-S112 WeakPolarHBondContact CD2-OG 2.97Å; L107-A114 HydrophobicContact CD2-CB 4.21Å; L107-A114 WeakPolarHBondContact CD2-O 3.48Å; L107-M116 HydrophobicContact CD1-CB 4.17Å; L107-M116 HydrophobicContact CD1-CE 4.37Å; L107-L138 HydrophobicContact CD1-CD1 4Å; L107-L138 HydrophobicContact CD2-CD1 3.64Å; L107-L138 HydrophobicContact CG-CD1 3.82Å
108S86.5Confident86.1Confident95 Ų9565 Ų6566%0.66432%0.324SS*.Hα-helixtrans-79.4-18.8179.273.50000115K104 R105 Y106K104-S108 PolarHBondContact O-N 2.91Å; K104-S108 VanDerWaalsContact O-N 3.12Å; R105-S108 PolarHBondContact O-N 2.93Å; R105-S108 PolarHBondContact O-OG 3.22Å; Y106-S108 PolarHBondContact O-N 3.39Å
109R74Confident86.6Confident118 Ų11861.1 Ų61.145%0.44531%0.305SS..SBendtrans-89.5-12.2-171.4-75.7176.576.1172.32.5114.9R105 Y106R105-R109 VanDerWaalsContact O-CG 3.3Å; R105-R109 WeakPolarHBondContact O-CG 3.38Å; R105-R109 PolarHBondContact O-N 2.94Å; Y106-R109 PolarHBondContact O-N 3.35Å
110S63Low87Confident37 Ų3763.9 Ų63.926%0.25933%0.328SS..SBendtrans-159156.4-169.9550000111.8K62 S112K62-S110 VanDerWaalsContact NZ-CB 3.33Å; K62-S110 PolarHBondContact NZ-OG 2.98Å; S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.04Å
111E69.4Low87.2Confident188 Ų18866.3 Ų66.388%0.87934%0.338SS*.  trans-58.598.5158.6-68.4-174.817100107.3K62K62-E111 PolarHBondContact NZ-O 2.87Å
112S69.7Low87.6Confident37 Ų3762.3 Ų62.326%0.25932%0.317SS..  trans-94.4137.3-178.992.10000108.2L107 S110 A114L107-S112 WeakPolarHBondContact CD2-OG 2.97Å; S110-S112 VanDerWaalsContact C-N 3.25Å; S110-S112 PolarHBondContact O-N 3.04Å; S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 PolarHBondContact OG-N 3.11Å; S112-A114 PolarHBondContact OG-O 2.96Å; S112-A114 VanDerWaalsContact OG-O 3.04Å
113R84.7Confident88.1Confident90 Ų9067.5 Ų67.534%0.3434%0.339SS..SBendtrans-89.223.3168.7-61.2-179.9176.8-171.7-0.5109.9Y53 D70 C142Y53-R113 HydrophobicContact CD1-CB 4.08Å; Y53-R113 HydrophobicContact CE1-CB 3.78Å; Y53-R113 HydrophobicContact CE1-CG 3.84Å; D70-R113 IonicContact OD1-CZ 2.86Å; D70-R113 IonicContact OD1-NH1 3.11Å; D70-R113 PolarHBondContact OD1-NH1 3.03Å; D70-R113 IonicContact OD1-NH2 2.92Å; D70-R113 PolarHBondContact OD1-NH2 3.35Å; D70-R113 IonicContact OD2-CZ 3.51Å; D70-R113 IonicContact OD2-NH1 2.96Å; D70-R113 IonicContact OD2-NH2 3.61Å; D70-R113 PolarHBondContact OD2-NH2 3.44Å; R113-C142 VanDerWaalsContact CD-SG 3.51Å
114A91.2Very high88.3Confident13 Ų1373.7 Ų73.711%0.10737%0.372CS..EExtended strand (participates in β ladder)trans-122.1154.6-171.900000109.9Y106 L107 S112 L138 Y139 T140Y106-A114 HydrophobicContact CE1-CB 4.31Å; L107-A114 HydrophobicContact CD2-CB 4.21Å; L107-A114 WeakPolarHBondContact CD2-O 3.48Å; S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 PolarHBondContact OG-N 3.11Å; S112-A114 PolarHBondContact OG-O 2.96Å; S112-A114 VanDerWaalsContact OG-O 3.04Å; A114-L138 HydrophobicContact CB-CD1 3.81Å; A114-L138 HydrophobicContact CB-CD2 4.36Å; A114-L138 HydrophobicContact CB-CG 3.98Å; A114-Y139 CarbonylContact C-O 3.57Å; A114-Y139 WeakPolarHBondContact CA-O 3.4Å; A114-Y139 WeakPolarHBondContact CB-O 3.5Å; A114-T140 WeakPolarHBondContact CB-OG1 3.4Å
115E94.2Very high88.5Confident100 Ų10072.7 Ų72.747%0.46737%0.368SS..EExtended strand (participates in β ladder)trans-137.5152.6-179.556-172.2170.900110.3F117 Y139E115-F117 VanDerWaalsContact CD-CE1 3.43Å; E115-F117 HydrophobicContact CG-CD1 3.9Å; E115-F117 HydrophobicContact CG-CE1 3.48Å; E115-F117 VanDerWaalsContact CG-CE1 3.48Å; E115-F117 HydrophobicContact CG-CZ 4.4Å; E115-F117 WeakPolarHBondContact OE1-CE1 3.29Å; E115-Y139 HydrophobicContact CG-CD1 4.14Å; E115-Y139 PolarHBondContact N-O 3.22Å; E115-Y139 PolarHBondContact O-N 3.34Å; E115-Y139 WeakPolarHBondContact OE1-CD1 3.15Å
116M95.8Very high88.9Confident65 Ų6566.6 Ų66.632%0.3235%0.345SS..EExtended strand (participates in β ladder)trans-82.7124.4177-172.774.478.500109V100 F103 K104 L107 A137V100-M116 HydrophobicContact CG1-CE 4.28Å; F103-M116 HydrophobicContact CB-CE 3.72Å; F103-M116 HydrophobicContact CB-SD 4.31Å; F103-M116 HydrophobicContact CD2-SD 4.38Å; K104-M116 HydrophobicContact CG-CE 3.69Å; L107-M116 HydrophobicContact CD1-CB 4.17Å; L107-M116 HydrophobicContact CD1-CE 4.37Å; M116-A137 CarbonylContact C-O 3.53Å; M116-A137 WeakPolarHBondContact CA-O 3.35Å; M116-A137 VanDerWaalsContact SD-O 3.39Å
117F97.2Very high89.3Confident16 Ų1670.5 Ų70.57%0.0737%0.371CS..EExtended strand (participates in β ladder)trans-102.7141.8174.7-85.418.1000111.5L91 E115 E121 V122 K125 G136 A137 Y139L91-F117 HydrophobicContact CD2-CD2 3.88Å; L91-F117 HydrophobicContact CD2-CE2 4.37Å; E115-F117 VanDerWaalsContact CD-CE1 3.43Å; E115-F117 HydrophobicContact CG-CD1 3.9Å; E115-F117 HydrophobicContact CG-CE1 3.48Å; E115-F117 VanDerWaalsContact CG-CE1 3.48Å; E115-F117 HydrophobicContact CG-CZ 4.4Å; E115-F117 WeakPolarHBondContact OE1-CE1 3.29Å; F117-E121 WeakPolarHBondContact CA-OE2 3.45Å; F117-E121 HydrophobicContact CB-CB 4.07Å; F117-E121 HydrophobicContact CD1-CB 4.41Å; F117-E121 HydrophobicContact CD2-CB 3.72Å; F117-E121 HydrophobicContact CE2-CB 4.2Å; F117-E121 HydrophobicContact CG-CB 3.84Å; F117-V122 HydrophobicContact CB-CG2 4.25Å; F117-K125 HydrophobicContact CE2-CG 3.9Å; F117-G136 CarbonylContact O-C 3.51Å; F117-G136 WeakPolarHBondContact O-CA 3.39Å; F117-A137 HydrophobicContact CB-CB 4.21Å; F117-A137 PolarHBondContact N-O 3.19Å; F117-A137 PolarHBondContact O-N 3.16Å; F117-Y139 HydrophobicContact CD2-CD1 4.49Å; F117-Y139 HydrophobicContact CD2-CG 4.08Å; F117-Y139 AromaticContact CE1-CD1 3.78Å; F117-Y139 HydrophobicContact CE1-CD1 3.78Å; F117-Y139 HydrophobicContact CE1-CG 4.17Å; F117-Y139 AromaticContact CE2-CD1 3.65Å; F117-Y139 HydrophobicContact CE2-CD1 3.65Å; F117-Y139 HydrophobicContact CE2-CD2 4.24Å; F117-Y139 HydrophobicContact CE2-CE1 4.28Å; F117-Y139 AromaticContact CE2-CG 3.6Å; F117-Y139 HydrophobicContact CE2-CG 3.6Å; F117-Y139 AromaticContact CZ-CD1 3.22Å; F117-Y139 HydrophobicContact CZ-CD1 3.22Å; F117-Y139 AromaticContact CZ-CE1 3.88Å; F117-Y139 HydrophobicContact CZ-CE1 3.88Å; F117-Y139 AromaticContact CZ-CG 3.65Å; F117-Y139 HydrophobicContact CZ-CG 3.65Å
118T97.2Very high89.5Confident70 Ų7070.1 Ų70.143%0.42937%0.368SS..PPolyproline II helixtrans-77.9161.3167.663.70000110.8A120 E121 V122T118-A120 PolarHBondContact O-N 2.76Å; T118-A120 VanDerWaalsContact O-N 3.16Å; T118-E121 WeakPolarHBondContact CB-OE2 3.27Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.33Å; T118-E121 PolarHBondContact N-OE2 2.78Å; T118-E121 PolarHBondContact O-N 3.47Å; T118-E121 VanDerWaalsContact O-N 3.13Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; T118-E121 PolarHBondContact OG1-N 3.32Å; T118-E121 PolarHBondContact OG1-OE2 3.48Å; T118-V122 WeakPolarHBondContact O-CG2 3.33Å; T118-V122 PolarHBondContact O-N 3.31Å
119P97.1Very high89.9Confident43 Ų4366 Ų6628%0.27934%0.34SS..Hα-helixtrans-56-30.1173.7-27.536.5000114K123 V131 I134P119-K123 PolarHBondContact O-N 3.26Å; P119-K123 VanDerWaalsContact O-N 3.11Å; P119-V131 HydrophobicContact CB-CB 4.18Å; P119-V131 WeakPolarHBondContact O-CG1 3.27Å; P119-I134 HydrophobicContact CG-CG2 4.42Å; P119-I134 VanDerWaalsContact CG-O 3.25Å; P119-I134 WeakPolarHBondContact CG-O 3.14Å
120A97.2Very high90.9Very high61 Ų6162.9 Ų62.950%0.50433%0.331SS..Hα-helixtrans-67.6-46.9175.500000111.6T118 V122 K123 D124T118-A120 PolarHBondContact O-N 2.76Å; T118-A120 VanDerWaalsContact O-N 3.16Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 PolarHBondContact O-N 3.41Å; A120-K123 WeakPolarHBondContact O-CB 3.44Å; A120-K123 PolarHBondContact O-N 2.92Å; A120-D124 PolarHBondContact O-N 3.37Å
121E97.7Very high92.5Very high74 Ų7462.4 Ų62.435%0.34633%0.327SS..Hα-helixtrans-64.6-33.9177.5-69160.2132.700112.1F117 T118 D124 K125F117-E121 WeakPolarHBondContact CA-OE2 3.45Å; F117-E121 HydrophobicContact CB-CB 4.07Å; F117-E121 HydrophobicContact CD1-CB 4.41Å; F117-E121 HydrophobicContact CD2-CB 3.72Å; F117-E121 HydrophobicContact CE2-CB 4.2Å; F117-E121 HydrophobicContact CG-CB 3.84Å; T118-E121 WeakPolarHBondContact CB-OE2 3.27Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.33Å; T118-E121 PolarHBondContact N-OE2 2.78Å; T118-E121 PolarHBondContact O-N 3.47Å; T118-E121 VanDerWaalsContact O-N 3.13Å; T118-E121 WeakPolarHBondContact OG1-CG 3.37Å; T118-E121 PolarHBondContact OG1-N 3.32Å; T118-E121 PolarHBondContact OG1-OE2 3.48Å; E121-D124 PolarHBondContact O-N 2.72Å; E121-K125 PolarHBondContact O-N 3.34Å
122V97.2Very high93.8Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-61.4-45.1170.8175.20000110.8L93 F117 T118 A120 D124 K125 W126 V129 V131 A137L93-V122 HydrophobicContact CD2-CG1 3.99Å; L93-V122 HydrophobicContact CD2-CG2 4.4Å; F117-V122 HydrophobicContact CB-CG2 4.25Å; T118-V122 WeakPolarHBondContact O-CG2 3.33Å; T118-V122 PolarHBondContact O-N 3.31Å; A120-V122 VanDerWaalsContact C-N 3.29Å; A120-V122 PolarHBondContact O-N 3.41Å; V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 3.09Å; V122-K125 PolarHBondContact O-N 3.33Å; V122-W126 PolarHBondContact O-N 3.17Å; V122-V129 HydrophobicContact CG1-CG1 4.35Å; V122-V131 HydrophobicContact CB-CG1 4.19Å; V122-V131 HydrophobicContact CG1-CG1 3.94Å; V122-A137 HydrophobicContact CG2-CB 3.49Å; V122-A137 VanDerWaalsContact CG2-CB 3.49Å
123K96.4Very high94.9Very high118 Ų11860.5 Ų60.551%0.51332%0.324SS..Hα-helixtrans-61.9-37.7179.2-169.2174.2176.31750111.9P119 A120 W126 P127 V131P119-K123 PolarHBondContact O-N 3.26Å; P119-K123 VanDerWaalsContact O-N 3.11Å; A120-K123 WeakPolarHBondContact O-CB 3.44Å; A120-K123 PolarHBondContact O-N 2.92Å; K123-W126 CarbonylContact O-C 3.58Å; K123-P127 VanDerWaalsContact O-CA 3.27Å; K123-P127 WeakPolarHBondContact O-CA 3.27Å; K123-V131 HydrophobicContact CB-CG1 3.83Å; K123-V131 HydrophobicContact CB-CG2 4.15Å; K123-V131 HydrophobicContact CD-CG2 4.05Å; K123-V131 HydrophobicContact CG-CG1 4.49Å; K123-V131 HydrophobicContact CG-CG2 4.41Å
124D95.4Very high95.4Very high130 Ų13056.7 Ų56.770%0.69531%0.31SS*.Hα-helixtrans-67.4-37178.5-68.2-14.8000112A120 E121 V122A120-D124 PolarHBondContact O-N 3.37Å; E121-D124 PolarHBondContact O-N 2.72Å; V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 3.09Å
125K94.3Very high95.6Very high92 Ų9261.6 Ų61.640%0.433%0.329SS..Hα-helixtrans-81.9-37177.8-74.5-62.5-173.3177.20114.3L91 F117 E121 V122 P241L91-K125 HydrophobicContact CD1-CB 3.97Å; F117-K125 HydrophobicContact CE2-CG 3.9Å; E121-K125 PolarHBondContact O-N 3.34Å; V122-K125 PolarHBondContact O-N 3.33Å; K125-P241 HydrophobicContact CB-CG 4.31Å
126W95.1Very high95.7Very high1 Ų157 Ų570%0.00431%0.308CS..  trans-131.983.7-178.8-164.1-65.3000109.8L91 V122 K123 L128 V129 L240 P241 I243 I252 L259 L305L91-W126 HydrophobicContact CD1-CB 4.14Å; V122-W126 PolarHBondContact O-N 3.17Å; K123-W126 CarbonylContact O-C 3.58Å; W126-L128 PolarHBondContact O-N 3.23Å; W126-L128 VanDerWaalsContact O-N 3.08Å; W126-V129 HydrophobicContact CB-CG2 4.42Å; W126-V129 HydrophobicContact CG-CB 4.47Å; W126-V129 HydrophobicContact CG-CG2 3.84Å; W126-V129 PolarHBondContact O-N 3.26Å; W126-L240 HydrophobicContact CD2-CB 4.21Å; W126-L240 HydrophobicContact CD2-CD1 4.27Å; W126-L240 HydrophobicContact CD2-CD2 4.49Å; W126-L240 HydrophobicContact CE3-CB 3.49Å; W126-L240 VanDerWaalsContact CE3-CB 3.49Å; W126-L240 HydrophobicContact CE3-CD1 4.31Å; W126-L240 HydrophobicContact CE3-CD2 4.47Å; W126-L240 HydrophobicContact CE3-CG 4.31Å; W126-L240 HydrophobicContact CH2-CB 3.89Å; W126-L240 HydrophobicContact CH2-CD1 3.99Å; W126-L240 HydrophobicContact CZ2-CD1 3.97Å; W126-L240 HydrophobicContact CZ3-CB 3.27Å; W126-L240 HydrophobicContact CZ3-CD1 4.13Å; W126-L240 HydrophobicContact CZ3-CG 4.28Å; W126-P241 WeakPolarHBondContact CZ3-O 3.33Å; W126-I243 HydrophobicContact CD2-CD1 3.52Å; W126-I243 HydrophobicContact CD2-CG1 3.97Å; W126-I243 HydrophobicContact CE3-CD1 3.89Å; W126-I243 HydrophobicContact CE3-CG1 3.82Å; W126-I243 HydrophobicContact CG-CD1 4.02Å; W126-I243 HydrophobicContact CH2-CD1 4.06Å; W126-I243 HydrophobicContact CH2-CG1 4.27Å; W126-I243 HydrophobicContact CZ2-CD1 3.66Å; W126-I243 HydrophobicContact CZ2-CG1 4.36Å; W126-I243 HydrophobicContact CZ3-CD1 4.17Å; W126-I243 HydrophobicContact CZ3-CG1 4.01Å; W126-I252 HydrophobicContact CH2-CG2 4.33Å; W126-I252 HydrophobicContact CZ2-CG2 4.45Å; W126-L259 HydrophobicContact CH2-CD2 4.37Å; W126-L259 HydrophobicContact CZ2-CD2 4.45Å; W126-L305 HydrophobicContact CZ2-CD2 4.19Å
127P93.3Very high95.7Very high85 Ų8553.9 Ų53.955%0.55229%0.293SS*.THydrogen-bonded Turntrans-64.3-18.6-172.3-25.335.5000115.3K123K123-P127 VanDerWaalsContact O-CA 3.27Å; K123-P127 WeakPolarHBondContact O-CA 3.27Å
128L92.7Very high95.6Very high39 Ų3953.2 Ų53.220%0.20429%0.29CS..THydrogen-bonded Turntrans-84.1-11.7-177-56.4-179.4000113.4W126 L234 L235 L305 P307W126-L128 PolarHBondContact O-N 3.23Å; W126-L128 VanDerWaalsContact O-N 3.08Å; L128-L234 HydrophobicContact CD1-CB 4.29Å; L128-L234 HydrophobicContact CD2-CD1 4.48Å; L128-L235 HydrophobicContact CD1-CD2 4.21Å; L128-L305 HydrophobicContact CB-CD1 3.45Å; L128-L305 VanDerWaalsContact CB-CD1 3.45Å; L128-L305 VanDerWaalsContact O-CD1 3.25Å; L128-L305 WeakPolarHBondContact O-CD1 3.32Å; L128-P307 HydrophobicContact CB-CG 4.35Å; L128-P307 HydrophobicContact CD2-CG 4.33Å
129V95.1Very high95.5Very high10 Ų1050.7 Ų50.76%0.06127%0.272CS..SBendtrans-80.6135.1-179.7159.90000109.9V122 W126 V131 I134 I243 L304 L305V122-V129 HydrophobicContact CG1-CG1 4.35Å; W126-V129 HydrophobicContact CB-CG2 4.42Å; W126-V129 HydrophobicContact CG-CB 4.47Å; W126-V129 HydrophobicContact CG-CG2 3.84Å; W126-V129 PolarHBondContact O-N 3.26Å; V129-V131 HydrophobicContact CG1-CG1 4.01Å; V129-V131 PolarHBondContact O-N 2.97Å; V129-I134 HydrophobicContact CG1-CG1 4.35Å; V129-I243 HydrophobicContact CG2-CD1 3.55Å; V129-L304 HydrophobicContact CG1-CD1 4.49Å; V129-L304 HydrophobicContact CG1-CG 4.4Å; V129-L305 HydrophobicContact CG2-CD1 4.35Å
130D95.7Very high95.4Very high51 Ų5148.9 Ų48.927%0.27326%0.26SS..  trans-74.990.7168.31809.7000110.3S132 K133 L304 P306D130-S132 VanDerWaalsContact CG-OG 3.24Å; D130-S132 PolarHBondContact O-N 3.06Å; D130-S132 VanDerWaalsContact O-N 3.16Å; D130-S132 VanDerWaalsContact OD1-CB 3.25Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 3.03Å; D130-S132 VanDerWaalsContact OD1-N 3.1Å; D130-S132 PolarHBondContact OD1-OG 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.05Å; D130-K133 PolarHBondContact O-N 3.35Å; D130-K133 WeakPolarHBondContact OD2-CE 3.4Å; D130-L304 PolarHBondContact N-O 2.95Å; D130-P306 HydrophobicContact CB-CG 4.5Å
131V96.3Very high95.2Very high27 Ų2748.7 Ų48.716%0.16426%0.256CS..G310 helixtrans-69.1-7.7-178.6-61.40000114.1P119 V122 K123 V129 K133 I134P119-V131 HydrophobicContact CB-CB 4.18Å; P119-V131 WeakPolarHBondContact O-CG1 3.27Å; V122-V131 HydrophobicContact CB-CG1 4.19Å; V122-V131 HydrophobicContact CG1-CG1 3.94Å; K123-V131 HydrophobicContact CB-CG1 3.83Å; K123-V131 HydrophobicContact CB-CG2 4.15Å; K123-V131 HydrophobicContact CD-CG2 4.05Å; K123-V131 HydrophobicContact CG-CG1 4.49Å; K123-V131 HydrophobicContact CG-CG2 4.41Å; V129-V131 HydrophobicContact CG1-CG1 4.01Å; V129-V131 PolarHBondContact O-N 2.97Å; V131-K133 PolarHBondContact O-N 2.77Å; V131-I134 PolarHBondContact O-N 2.91Å; V131-I134 VanDerWaalsContact O-N 3.1Å
132S95.9Very high94.9Very high97 Ų9745.3 Ų45.368%0.67824%0.24SC*.G310 helixtrans-64.4-21.5176.572.60000113D130D130-S132 VanDerWaalsContact CG-OG 3.24Å; D130-S132 PolarHBondContact O-N 3.06Å; D130-S132 VanDerWaalsContact O-N 3.16Å; D130-S132 VanDerWaalsContact OD1-CB 3.25Å; D130-S132 WeakPolarHBondContact OD1-CB 3.34Å; D130-S132 PolarHBondContact OD1-N 3.03Å; D130-S132 VanDerWaalsContact OD1-N 3.1Å; D130-S132 PolarHBondContact OD1-OG 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.05Å
133K92.7Very high94.8Very high89 Ų8945.3 Ų45.339%0.38724%0.24SC..G310 helixtrans-93.4-6.8178.1-60.2178.8-176.2176.90113.1T95 D130 V131 D303 L304T95-K133 WeakPolarHBondContact CG2-O 3.48Å; D130-K133 PolarHBondContact O-N 3.35Å; D130-K133 WeakPolarHBondContact OD2-CE 3.4Å; V131-K133 PolarHBondContact O-N 2.77Å; K133-D303 PolarHBondContact NZ-O 2.86Å; K133-L304 HydrophobicContact CB-CD1 3.87Å; K133-L304 HydrophobicContact CD-CD1 4.38Å
134I95.4Very high94.7Very high10 Ų1039.7 Ų39.75%0.05122%0.216CC..  trans-95130.6-175.2-59-56.2000110.3L93 T95 P119 V129 V131 G136 L304L93-I134 HydrophobicContact CB-CD1 3.96Å; L93-I134 HydrophobicContact CD1-CD1 4.14Å; L93-I134 HydrophobicContact CD2-CD1 4.49Å; L93-I134 HydrophobicContact CG-CD1 4.43Å; T95-I134 HydrophobicContact CG2-CD1 3.93Å; P119-I134 HydrophobicContact CG-CG2 4.42Å; P119-I134 VanDerWaalsContact CG-O 3.25Å; P119-I134 WeakPolarHBondContact CG-O 3.14Å; V129-I134 HydrophobicContact CG1-CG1 4.35Å; V131-I134 PolarHBondContact O-N 2.91Å; V131-I134 VanDerWaalsContact O-N 3.1Å; I134-G136 VanDerWaalsContact CG2-O 3.3Å; I134-G136 WeakPolarHBondContact CG2-O 3.21Å; I134-L304 HydrophobicContact CD1-CD1 3.69Å; I134-L304 HydrophobicContact CD1-CD2 4.13Å; I134-L304 HydrophobicContact CD1-CG 4.44Å; I134-L304 HydrophobicContact CG1-CD1 4.21Å
135K95.6Very high94.6Very high116 Ų11634.9 Ų34.950%0.50419%0.189SC..SBendtrans-94.7-22.2173.4-67.2-171.7173.2-172.30112.9A94 T95 S97 V100A94-K135 PolarHBondContact O-N 2.96Å; T95-K135 WeakPolarHBondContact O-CD 3.47Å; S97-K135 PolarHBondContact OG-NZ 2.91Å; V100-K135 HydrophobicContact CG2-CB 3.9Å
136G95.8Very high94.5Very high3 Ų330.7 Ų30.73%0.03117%0.17CC..EExtended strand (participates in β ladder)trans174175.3176.300000110.1A94 F117 I134A94-G136 WeakPolarHBondContact CA-O 3.27Å; A94-G136 WeakPolarHBondContact CB-O 3.45Å; A94-G136 PolarHBondContact N-O 2.81Å; A94-G136 PolarHBondContact O-N 3.16Å; F117-G136 CarbonylContact O-C 3.51Å; F117-G136 WeakPolarHBondContact O-CA 3.39Å; I134-G136 VanDerWaalsContact CG2-O 3.3Å; I134-G136 WeakPolarHBondContact CG2-O 3.21Å
137A96.3Very high94.3Very high0 Ų034.6 Ų34.60%019%0.191CC..EExtended strand (participates in β ladder)trans-144.5153.9173.100000110.7L91 R92 L93 M116 F117 V122L91-A137 HydrophobicContact CD2-CB 4.44Å; R92-A137 CarbonylContact O-C 3.41Å; R92-A137 VanDerWaalsContact O-CA 3.25Å; R92-A137 WeakPolarHBondContact O-CA 3.4Å; L93-A137 HydrophobicContact CD2-CB 3.91Å; M116-A137 CarbonylContact C-O 3.53Å; M116-A137 WeakPolarHBondContact CA-O 3.35Å; M116-A137 VanDerWaalsContact SD-O 3.39Å; F117-A137 HydrophobicContact CB-CB 4.21Å; F117-A137 PolarHBondContact N-O 3.19Å; F117-A137 PolarHBondContact O-N 3.16Å; V122-A137 HydrophobicContact CG2-CB 3.49Å; V122-A137 VanDerWaalsContact CG2-CB 3.49Å
138L95Very high94.2Very high1 Ų130.6 Ų30.61%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-99.1114.3165.9-17574.6000107.6Y54 R92 F103 Y106 L107 A114Y54-L138 HydrophobicContact CD2-CD2 3.52Å; Y54-L138 HydrophobicContact CE2-CD2 3.73Å; R92-L138 HydrophobicContact CB-CB 4.27Å; R92-L138 PolarHBondContact N-O 3.34Å; R92-L138 PolarHBondContact O-N 3.41Å; F103-L138 HydrophobicContact CB-CB 4.34Å; F103-L138 HydrophobicContact CD1-CB 4.31Å; F103-L138 HydrophobicContact CD2-CB 3.75Å; F103-L138 HydrophobicContact CE2-CB 4.07Å; F103-L138 HydrophobicContact CG-CB 3.88Å; Y106-L138 HydrophobicContact CD1-CD1 4.37Å; Y106-L138 HydrophobicContact CD1-CD2 3.55Å; Y106-L138 HydrophobicContact CE1-CD2 3.75Å; Y106-L138 HydrophobicContact CG-CD2 4.46Å; L107-L138 HydrophobicContact CD1-CD1 4Å; L107-L138 HydrophobicContact CD2-CD1 3.64Å; L107-L138 HydrophobicContact CG-CD1 3.82Å; A114-L138 HydrophobicContact CB-CD1 3.81Å; A114-L138 HydrophobicContact CB-CD2 4.36Å; A114-L138 HydrophobicContact CB-CG 3.98Å
139Y96.3Very high94.1Very high18 Ų1830.9 Ų30.97%0.07117%0.17CC..EExtended strand (participates in β ladder)trans-98.2127.7176.7178.7-119.1000110.2T90 L91 A114 E115 F117 P241T90-Y139 CarbonylContact O-C 3.58Å; T90-Y139 WeakPolarHBondContact O-CA 3.37Å; T90-Y139 WeakPolarHBondContact O-CD2 3.46Å; L91-Y139 HydrophobicContact CD2-CD2 3.56Å; L91-Y139 HydrophobicContact CD2-CE2 4.49Å; L91-Y139 HydrophobicContact CD2-CG 4.06Å; L91-Y139 HydrophobicContact CG-CD2 3.9Å; A114-Y139 CarbonylContact C-O 3.57Å; A114-Y139 WeakPolarHBondContact CA-O 3.4Å; A114-Y139 WeakPolarHBondContact CB-O 3.5Å; E115-Y139 HydrophobicContact CG-CD1 4.14Å; E115-Y139 PolarHBondContact N-O 3.22Å; E115-Y139 PolarHBondContact O-N 3.34Å; E115-Y139 WeakPolarHBondContact OE1-CD1 3.15Å; F117-Y139 HydrophobicContact CD2-CD1 4.49Å; F117-Y139 HydrophobicContact CD2-CG 4.08Å; F117-Y139 AromaticContact CE1-CD1 3.78Å; F117-Y139 HydrophobicContact CE1-CD1 3.78Å; F117-Y139 HydrophobicContact CE1-CG 4.17Å; F117-Y139 AromaticContact CE2-CD1 3.65Å; F117-Y139 HydrophobicContact CE2-CD1 3.65Å; F117-Y139 HydrophobicContact CE2-CD2 4.24Å; F117-Y139 HydrophobicContact CE2-CE1 4.28Å; F117-Y139 AromaticContact CE2-CG 3.6Å; F117-Y139 HydrophobicContact CE2-CG 3.6Å; F117-Y139 AromaticContact CZ-CD1 3.22Å; F117-Y139 HydrophobicContact CZ-CD1 3.22Å; F117-Y139 AromaticContact CZ-CE1 3.88Å; F117-Y139 HydrophobicContact CZ-CE1 3.88Å; F117-Y139 AromaticContact CZ-CG 3.65Å; F117-Y139 HydrophobicContact CZ-CG 3.65Å; Y139-P241 HydrophobicContact CE2-CB 4.13Å; Y139-P241 HydrophobicContact CE2-CG 4.14Å
140T94.7Very high93.9Very high4 Ų430.7 Ų30.73%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-115.7117.4170.9-53.40000109.1Y53 G89 T90 A114 D143Y53-T140 HydrophobicContact CD1-CG2 4.1Å; Y53-T140 HydrophobicContact CG-CG2 4.28Å; G89-T140 CarbonylContact C-O 3.57Å; G89-T140 WeakPolarHBondContact CA-O 3.36Å; T90-T140 PolarHBondContact N-O 3.25Å; T90-T140 PolarHBondContact O-N 3.03Å; A114-T140 WeakPolarHBondContact CB-OG1 3.4Å; T140-D143 WeakPolarHBondContact CB-OD2 3.49Å; T140-D143 HydrophobicContact CG2-CB 4.39Å; T140-D143 WeakPolarHBondContact CG2-OD2 3.4Å
141S92.9Very high93.8Very high58 Ų5828.2 Ų28.241%0.40616%0.155SC..SBendtrans-86.4-15-172.8620000114
142C91.3Very high93.7Very high2 Ų227 Ų271%0.01415%0.148CC..SBendtrans-89.6-7.5-172.165.80000115R87 R113R87-C142 WeakPolarHBondContact CG-O 3.37Å; R87-C142 PolarHBondContact NE-O 2.95Å; R87-C142 VanDerWaalsContact NH2-CB 3.27Å; R113-C142 VanDerWaalsContact CD-SG 3.51Å
143D94.2Very high93.6Very high1 Ų128.1 Ų28.11%0.00514%0.137CC..  trans-116.9-167.5-169.174.12.6000111.2L51 Y53 L69 R87 C88 G89 T90 T140L51-D143 VanDerWaalsContact O-CB 3.24Å; L51-D143 WeakPolarHBondContact O-CB 3.25Å; Y53-D143 PolarHBondContact N-OD2 3.03Å; L69-D143 HydrophobicContact CD1-CB 4.28Å; L69-D143 HydrophobicContact CD2-CB 3.77Å; R87-D143 CarbonylContact C-O 3.57Å; R87-D143 WeakPolarHBondContact CA-O 3.33Å; C88-D143 PolarHBondContact N-O 2.94Å; G89-D143 VanDerWaalsContact CA-O 3.22Å; G89-D143 WeakPolarHBondContact CA-O 3.46Å; G89-D143 WeakPolarHBondContact CA-OD1 3.23Å; G89-D143 PolarHBondContact N-O 2.85Å; T90-D143 VanDerWaalsContact CB-OD1 3.23Å; T90-D143 WeakPolarHBondContact CB-OD1 3.3Å; T90-D143 PolarHBondContact N-OD1 3.47Å; T90-D143 PolarHBondContact OG1-OD1 3.25Å; T90-D143 PolarHBondContact OG1-OD2 3.14Å; T140-D143 WeakPolarHBondContact CB-OD2 3.49Å; T140-D143 HydrophobicContact CG2-CB 4.39Å; T140-D143 WeakPolarHBondContact CG2-OD2 3.4Å
144G94.6Very high93.7Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans153.3-122.4-177.500000112.1L51L51-G144 CarbonylContact C-O 3.59Å; L51-G144 PolarHBondContact N-O 2.73Å; L51-G144 PolarHBondContact O-N 2.95Å; L51-G144 VanDerWaalsContact O-O 3.07Å
145F93.7Very high93.7Very high29 Ų2924.1 Ų24.113%0.12712%0.121CC..EExtended strand (participates in β ladder)trans-144.1154.3179.265.9-88000113.3G49 F85 Q86 V242G49-F145 CarbonylContact O-C 3.56Å; G49-F145 WeakPolarHBondContact O-CA 3.48Å; G49-F145 VanDerWaalsContact O-CB 3.31Å; G49-F145 WeakPolarHBondContact O-CB 3.36Å; F85-F145 WeakPolarHBondContact CD2-O 3.2Å; Q86-F145 HydrophobicContact CB-CD1 4.08Å; Q86-F145 HydrophobicContact CB-CD2 4.08Å; Q86-F145 HydrophobicContact CB-CE1 3.68Å; Q86-F145 HydrophobicContact CB-CE2 3.68Å; Q86-F145 HydrophobicContact CB-CG 4.27Å; Q86-F145 HydrophobicContact CB-CZ 3.47Å; Q86-F145 VanDerWaalsContact CB-CZ 3.47Å; Q86-F145 HydrophobicContact CG-CD2 4.2Å; Q86-F145 HydrophobicContact CG-CE1 4.31Å; Q86-F145 HydrophobicContact CG-CE2 3.51Å; Q86-F145 HydrophobicContact CG-CZ 3.57Å; Q86-F145 PolarHBondContact N-O 2.84Å; Q86-F145 PolarHBondContact O-N 2.85Å; Q86-F145 VanDerWaalsContact O-N 3.15Å; F145-V242 HydrophobicContact CD1-CG2 4.11Å
146V92.4Very high93.8Very high3 Ų318.8 Ų18.82%0.01810%0.099CC..EExtended strand (participates in β ladder)trans-122152.9-179.3-61.30000111.9G49 L51 Y72 C84 F85 A148 L151 L350G49-V146 VanDerWaalsContact CA-O 3.22Å; G49-V146 WeakPolarHBondContact CA-O 3.37Å; G49-V146 PolarHBondContact O-N 2.82Å; L51-V146 HydrophobicContact CB-CG1 4.41Å; L51-V146 HydrophobicContact CD2-CG1 3.92Å; Y72-V146 HydrophobicContact CD2-CG1 4.24Å; C84-V146 CarbonylContact O-C 3.48Å; C84-V146 WeakPolarHBondContact O-CA 3.25Å; C84-V146 WeakPolarHBondContact O-CB 3.43Å; F85-V146 HydrophobicContact CB-CG1 3.84Å; F85-V146 HydrophobicContact CD2-CG1 3.5Å; F85-V146 VanDerWaalsContact CD2-CG1 3.5Å; F85-V146 HydrophobicContact CE2-CG1 4.39Å; F85-V146 HydrophobicContact CG-CG1 3.91Å; V146-A148 PolarHBondContact O-N 2.93Å; V146-L151 HydrophobicContact CG2-CD2 4.22Å; V146-L350 HydrophobicContact CG2-CB 4.31Å; V146-L350 HydrophobicContact CG2-CD1 3.73Å; V146-L350 HydrophobicContact CG2-CD2 4.11Å; V146-L350 HydrophobicContact CG2-CG 4.25Å
147N91Very high93.8Very high83 Ų8321.2 Ų21.244%0.44412%0.115SC..  trans-80.999.7161.1-178.7-34000108.2C84 P149 L150 L151C84-N147 PolarHBondContact O-N 3.01Å; N147-P149 WeakPolarHBondContact OD1-CD 3.31Å; N147-L150 HydrophobicContact CB-CB 3.91Å; N147-L150 HydrophobicContact CB-CD2 4.48Å; N147-L150 PolarHBondContact O-N 2.93Å; N147-L150 WeakPolarHBondContact OD1-CB 3.46Å; N147-L150 PolarHBondContact OD1-N 3.16Å; N147-L150 VanDerWaalsContact OD1-N 3.09Å; N147-L151 WeakPolarHBondContact O-CB 3.49Å; N147-L151 PolarHBondContact O-N 2.72Å
148A91.2Very high93.8Very high2 Ų223 Ų232%0.01712%0.124CC..Hα-helixtrans-59.9-47-173.300000114.5T44 A47 V146 L150 L151 C152 L350T44-A148 HydrophobicContact CG2-CB 4.17Å; T44-A148 VanDerWaalsContact O-CB 3.29Å; T44-A148 WeakPolarHBondContact O-CB 3.46Å; A47-A148 HydrophobicContact CB-CB 4.2Å; V146-A148 PolarHBondContact O-N 2.93Å; A148-L150 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 3.21Å; A148-L151 PolarHBondContact O-N 2.87Å; A148-C152 PolarHBondContact O-N 3.04Å; A148-L350 HydrophobicContact CB-CD1 4.02Å; A148-L350 HydrophobicContact CB-CD2 3.6Å; A148-L350 HydrophobicContact CB-CG 4.42Å
149P89.3Confident93.9Very high45 Ų4523 Ų2329%0.29212%0.124SC..Hα-helixtrans-56.2-44.4172.1-27.132.6000113.4N147 C152 R153N147-P149 WeakPolarHBondContact OD1-CD 3.31Å; P149-C152 PolarHBondContact O-N 2.92Å; P149-R153 WeakPolarHBondContact O-CG 3.48Å; P149-R153 PolarHBondContact O-N 2.81Å; P149-R153 VanDerWaalsContact O-N 3.08Å
150L91.1Very high94Very high5 Ų525.7 Ų25.73%0.02614%0.142CC..Hα-helixtrans-66.1-44.4179.8178.658.3000111.4E81 C84 N147 A148 C152 R153 V154E81-L150 HydrophobicContact CB-CD1 4.09Å; E81-L150 HydrophobicContact CB-CD2 4.17Å; E81-L150 VanDerWaalsContact CD-CD1 3.42Å; E81-L150 HydrophobicContact CG-CD1 4.34Å; E81-L150 WeakPolarHBondContact OE2-CD1 3.49Å; C84-L150 HydrophobicContact CB-CB 4.21Å; C84-L150 HydrophobicContact CB-CD2 3.67Å; C84-L150 HydrophobicContact CB-CG 3.67Å; N147-L150 HydrophobicContact CB-CB 3.91Å; N147-L150 HydrophobicContact CB-CD2 4.48Å; N147-L150 PolarHBondContact O-N 2.93Å; N147-L150 WeakPolarHBondContact OD1-CB 3.46Å; N147-L150 PolarHBondContact OD1-N 3.16Å; N147-L150 VanDerWaalsContact OD1-N 3.09Å; A148-L150 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 3.21Å; L150-C152 VanDerWaalsContact C-N 3.28Å; L150-C152 PolarHBondContact O-N 3.12Å; L150-R153 PolarHBondContact O-N 3.02Å; L150-R153 VanDerWaalsContact O-N 3.16Å; L150-V154 HydrophobicContact CD1-CG2 4.15Å; L150-V154 HydrophobicContact CG-CG2 4.42Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.42Å
151L94.1Very high94.1Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-55.3-45.4175.2173.461.9000111.3V14 Y72 L75 V146 N147 A148 V154 L155 L350V14-L151 HydrophobicContact CG2-CD2 3.86Å; V14-L151 HydrophobicContact CG2-CG 4.08Å; Y72-L151 HydrophobicContact CD1-CD1 3.65Å; Y72-L151 HydrophobicContact CD1-CD2 4.47Å; Y72-L151 HydrophobicContact CD2-CD2 4.21Å; Y72-L151 HydrophobicContact CE1-CD1 3.77Å; Y72-L151 HydrophobicContact CE1-CD2 4.08Å; Y72-L151 HydrophobicContact CE1-CG 4.48Å; Y72-L151 HydrophobicContact CE2-CD2 3.78Å; Y72-L151 HydrophobicContact CG-CD1 4.1Å; L75-L151 HydrophobicContact CD1-CD1 3.55Å; V146-L151 HydrophobicContact CG2-CD2 4.22Å; N147-L151 WeakPolarHBondContact O-CB 3.49Å; N147-L151 PolarHBondContact O-N 2.72Å; A148-L151 PolarHBondContact O-N 2.87Å; L151-V154 PolarHBondContact O-N 2.69Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CG-CD1 4.15Å; L151-L155 WeakPolarHBondContact O-CG 3.22Å; L151-L155 PolarHBondContact O-N 3.11Å; L151-L350 HydrophobicContact CD2-CD2 4.2Å
152C94.6Very high94.3Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-61-45.1177.5-174.70000112G12 T44 A148 P149 L150 V154 L155 A156G12-C152 PolarHBondContact O-SG 2.84Å; G12-C152 VanDerWaalsContact O-SG 3.34Å; T44-C152 HydrophobicContact CG2-CB 3.99Å; A148-C152 PolarHBondContact O-N 3.04Å; P149-C152 PolarHBondContact O-N 2.92Å; L150-C152 VanDerWaalsContact C-N 3.28Å; L150-C152 PolarHBondContact O-N 3.12Å; C152-V154 PolarHBondContact O-N 2.8Å; C152-L155 PolarHBondContact O-N 3.25Å; C152-A156 WeakPolarHBondContact O-CB 3.07Å; C152-A156 PolarHBondContact O-N 2.98Å
153R93.7Very high94.6Very high121 Ų12137.4 Ų37.446%0.45720%0.201SC..Hα-helixtrans-62-42.1175.4-69.1-164-58.6-106.410.1112.7E81 P149 L150 A156 S157E81-R153 IonicContact OE1-CZ 2.85Å; E81-R153 IonicContact OE1-NE 3.84Å; E81-R153 IonicContact OE1-NH2 3.05Å; E81-R153 PolarHBondContact OE1-NH2 2.8Å; P149-R153 WeakPolarHBondContact O-CG 3.48Å; P149-R153 PolarHBondContact O-N 2.81Å; P149-R153 VanDerWaalsContact O-N 3.08Å; L150-R153 PolarHBondContact O-N 3.02Å; L150-R153 VanDerWaalsContact O-N 3.16Å; R153-A156 PolarHBondContact O-N 2.9Å; R153-S157 WeakPolarHBondContact O-CB 3.33Å; R153-S157 PolarHBondContact O-N 3.34Å
154V94.5Very high94.8Very high15 Ų1537.4 Ų37.49%0.09120%0.201CC..Hα-helixtrans-63.5-46.6178.21720000110.6L75 C77 L150 L151 C152 A156 S157 M158L75-V154 HydrophobicContact CB-CG1 4.29Å; L75-V154 HydrophobicContact CD1-CG1 4.01Å; L75-V154 HydrophobicContact CD2-CG1 4.17Å; L75-V154 HydrophobicContact CG-CG1 4.38Å; C77-V154 HydrophobicContact CB-CG2 4.49Å; L150-V154 HydrophobicContact CD1-CG2 4.15Å; L150-V154 HydrophobicContact CG-CG2 4.42Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.42Å; L151-V154 PolarHBondContact O-N 2.69Å; C152-V154 PolarHBondContact O-N 2.8Å; V154-A156 VanDerWaalsContact C-N 3.35Å; V154-A156 PolarHBondContact O-N 3.06Å; V154-S157 WeakPolarHBondContact O-CB 3.26Å; V154-S157 PolarHBondContact O-N 2.99Å; V154-M158 HydrophobicContact CG1-SD 3.95Å; V154-M158 VanDerWaalsContact O-CG 3.29Å; V154-M158 WeakPolarHBondContact O-CG 3.45Å; V154-M158 PolarHBondContact O-N 2.82Å
155L96.3Very high95Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-62.5-40.1176.2-70.9173000112.2V14 Y21 L71 L151 C152 M158 A159V14-L155 HydrophobicContact CG2-CD1 4.03Å; Y21-L155 HydrophobicContact CD1-CD2 4.41Å; L71-L155 HydrophobicContact CD2-CD2 4.31Å; L151-L155 HydrophobicContact CD1-CD1 4.06Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CG-CD1 4.15Å; L151-L155 WeakPolarHBondContact O-CG 3.22Å; L151-L155 PolarHBondContact O-N 3.11Å; C152-L155 PolarHBondContact O-N 3.25Å; L155-M158 PolarHBondContact O-N 3.38Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 2.71Å
156A97.1Very high95.2Very high5 Ų540.8 Ų40.84%0.04122%0.22CC..Hα-helixtrans-62.1-43.8174.400000112.7T17 L39 C152 R153 V154 M158 A159 T160 L166T17-A156 HydrophobicContact CG2-CB 3.91Å; L39-A156 HydrophobicContact CD1-CB 3.68Å; C152-A156 WeakPolarHBondContact O-CB 3.07Å; C152-A156 PolarHBondContact O-N 2.98Å; R153-A156 PolarHBondContact O-N 2.9Å; V154-A156 VanDerWaalsContact C-N 3.35Å; V154-A156 PolarHBondContact O-N 3.06Å; A156-M158 VanDerWaalsContact C-N 3.34Å; A156-A159 PolarHBondContact O-N 2.9Å; A156-T160 PolarHBondContact O-N 2.93Å; A156-T160 PolarHBondContact O-OG1 3.23Å; A156-L166 HydrophobicContact CB-CD2 3.52Å
157S95.8Very high95.4Very high53 Ų5343.6 Ų43.637%0.37123%0.231SC..Hα-helixtrans-61.5-43175-179.90000111.3R153 V154 T160 K161R153-S157 WeakPolarHBondContact O-CB 3.33Å; R153-S157 PolarHBondContact O-N 3.34Å; V154-S157 WeakPolarHBondContact O-CB 3.26Å; V154-S157 PolarHBondContact O-N 2.99Å; S157-T160 PolarHBondContact O-N 3.41Å; S157-K161 WeakPolarHBondContact O-CG 3.49Å; S157-K161 PolarHBondContact O-N 3.31Å
158M95.8Very high95.6Very high39 Ų3943.6 Ų43.619%0.19223%0.228CC..Hα-helixtrans-64.4-43.9175.3-69.6170.862.500112.2Y21 L75 V154 L155 A156 T160 K161 E162Y21-M158 HydrophobicContact CD1-CE 4.45Å; Y21-M158 HydrophobicContact CD2-CB 3.59Å; Y21-M158 HydrophobicContact CD2-CE 4.15Å; Y21-M158 HydrophobicContact CE1-CE 3.86Å; Y21-M158 HydrophobicContact CE2-CB 3.85Å; Y21-M158 HydrophobicContact CE2-CE 3.51Å; Y21-M158 HydrophobicContact CG-CB 4.3Å; Y21-M158 WeakPolarHBondContact OH-CE 3.4Å; L75-M158 HydrophobicContact CD2-CE 3.74Å; L75-M158 HydrophobicContact CD2-SD 3.29Å; L75-M158 WeakPolarHBondContact CD2-SD 3.09Å; V154-M158 HydrophobicContact CG1-SD 3.95Å; V154-M158 VanDerWaalsContact O-CG 3.29Å; V154-M158 WeakPolarHBondContact O-CG 3.45Å; V154-M158 PolarHBondContact O-N 2.82Å; L155-M158 PolarHBondContact O-N 3.38Å; A156-M158 VanDerWaalsContact C-N 3.34Å; M158-T160 VanDerWaalsContact C-N 3.29Å; M158-T160 PolarHBondContact O-N 3.42Å; M158-K161 PolarHBondContact O-N 3.02Å; M158-E162 VanDerWaalsContact O-CG 3.32Å; M158-E162 WeakPolarHBondContact O-CG 3.42Å; M158-E162 PolarHBondContact O-N 2.87Å
159A98Very high95.7Very high0 Ų049 Ų490%025%0.253CS..Hα-helixtrans-57.8-43.917500000111.7A20 L155 A156 E162 G163 A164 L166A20-A159 HydrophobicContact CB-CB 3.99Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 2.71Å; A156-A159 PolarHBondContact O-N 2.9Å; A159-E162 CarbonylContact O-C 3.55Å; A159-E162 PolarHBondContact O-N 2.89Å; A159-G163 PolarHBondContact O-N 2.83Å; A159-A164 HydrophobicContact CB-CB 3.93Å; A159-A164 VanDerWaalsContact O-CB 3.27Å; A159-A164 WeakPolarHBondContact O-CB 3.42Å; A159-A164 PolarHBondContact O-N 3.44Å; A159-L166 HydrophobicContact CB-CD1 4.38Å
160T97.8Very high95.9Very high75 Ų7547.1 Ų47.146%0.4624%0.241SC..Hα-helixtrans-64.9-40.4178.1-52.80000111.7A156 S157 M158 E162 G163A156-T160 PolarHBondContact O-N 2.93Å; A156-T160 PolarHBondContact O-OG1 3.23Å; S157-T160 PolarHBondContact O-N 3.41Å; M158-T160 VanDerWaalsContact C-N 3.29Å; M158-T160 PolarHBondContact O-N 3.42Å; T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 PolarHBondContact O-N 2.74Å; T160-G163 PolarHBondContact O-N 3.06Å
161K96.8Very high95.7Very high166 Ų16650.9 Ų50.972%0.72227%0.266SS*.Hα-helixtrans-62.6-32.8174.8-74.5172.3-176.4173.80112.7S157 M158 G163S157-K161 WeakPolarHBondContact O-CG 3.49Å; S157-K161 PolarHBondContact O-N 3.31Å; M158-K161 PolarHBondContact O-N 3.02Å; K161-G163 VanDerWaalsContact C-N 3.27Å
162E97.5Very high94.9Very high92 Ų9254.8 Ų54.843%0.4329%0.293SS..THydrogen-bonded Turntrans-82.1-2174.3-60.6-71.8178.300112.8Y21 A24 R25 M158 A159 T160Y21-E162 HydrophobicContact CD2-CG 4.14Å; Y21-E162 HydrophobicContact CE2-CG 3.98Å; A24-E162 HydrophobicContact CB-CB 3.6Å; R25-E162 HydrophobicContact CB-CG 4.19Å; M158-E162 VanDerWaalsContact O-CG 3.32Å; M158-E162 WeakPolarHBondContact O-CG 3.42Å; M158-E162 PolarHBondContact O-N 2.87Å; A159-E162 CarbonylContact O-C 3.55Å; A159-E162 PolarHBondContact O-N 2.89Å; T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 PolarHBondContact O-N 2.74Å
163G97.5Very high94.6Very high51 Ų5156.9 Ų56.953%0.52630%0.304SS..THydrogen-bonded Turntrans103.66.5173.500000116.3A159 T160 K161A159-G163 PolarHBondContact O-N 2.83Å; T160-G163 PolarHBondContact O-N 3.06Å; K161-G163 VanDerWaalsContact C-N 3.27Å
164A98.4Very high94.6Very high2 Ų258.5 Ų58.52%0.01731%0.31CS..  trans-67.8145.8172.900000111.7A24 V31 A159 L166A24-A164 HydrophobicContact CB-CB 4.05Å; V31-A164 HydrophobicContact CB-CB 4.29Å; V31-A164 HydrophobicContact CG1-CB 4.32Å; V31-A164 WeakPolarHBondContact O-CA 3.48Å; A159-A164 HydrophobicContact CB-CB 3.93Å; A159-A164 VanDerWaalsContact O-CB 3.27Å; A159-A164 WeakPolarHBondContact O-CB 3.42Å; A159-A164 PolarHBondContact O-N 3.44Å; A164-L166 HydrophobicContact CB-CD1 3.72Å
165L98.3Very high94.5Very high61 Ų6158.1 Ų58.132%0.31931%0.307SS..EExtended strand (participates in β ladder)trans-103.2118.3174.1-58.2176.3000109.5V2 R30 V31 V32 L33 Y167V2-L165 HydrophobicContact CG1-CD1 3.58Å; V2-L165 HydrophobicContact CG2-CD1 4.3Å; R30-L165 HydrophobicContact CG-CD1 4.4Å; V31-L165 PolarHBondContact O-N 3.43Å; V32-L165 CarbonylContact C-O 3.5Å; V32-L165 VanDerWaalsContact CA-O 3.31Å; V32-L165 WeakPolarHBondContact CA-O 3.24Å; V32-L165 HydrophobicContact CG2-CB 4.31Å; V32-L165 HydrophobicContact CG2-CD1 4.44Å; L33-L165 PolarHBondContact N-O 2.91Å; L165-Y167 HydrophobicContact CB-CE2 4.03Å
166L97.9Very high94.4Very high38 Ų3859.9 Ų59.920%0.19932%0.318CS..EExtended strand (participates in β ladder)trans-109126.3-179.4-78.960.1000109L33 L39 A156 A159 A164L33-L166 HydrophobicContact CB-CD1 4.35Å; L33-L166 HydrophobicContact CB-CG 4.07Å; L33-L166 HydrophobicContact CD2-CG 4.32Å; L33-L166 WeakPolarHBondContact O-CA 3.39Å; L39-L166 HydrophobicContact CD1-CD2 4.04Å; L39-L166 HydrophobicContact CD2-CD2 4.44Å; A156-L166 HydrophobicContact CB-CD2 3.52Å; A159-L166 HydrophobicContact CB-CD1 4.38Å; A164-L166 HydrophobicContact CB-CD1 3.72Å
167Y96.9Very high94.1Very high62 Ų6263.4 Ų63.424%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-118.7112.7175.8-59.2-75.6000109.8M1 V32 L33 L34 E35 L165M1-Y167 HydrophobicContact CE-CG 4.33Å; M1-Y167 HydrophobicContact CG-CD2 4.4Å; M1-Y167 HydrophobicContact CG-CE2 4.09Å; V32-Y167 HydrophobicContact CG1-CD2 3.7Å; V32-Y167 HydrophobicContact CG1-CE2 3.77Å; L33-Y167 PolarHBondContact O-N 2.98Å; L34-Y167 HydrophobicContact CD2-CD2 3.75Å; L34-Y167 HydrophobicContact CD2-CG 4.26Å; E35-Y167 PolarHBondContact N-O 2.87Å; L165-Y167 HydrophobicContact CB-CE2 4.03Å
168E95Very high93.9Very high84 Ų8462.6 Ų62.639%0.39333%0.328SS..  trans-81.5170.9169-74.9179.2113.500110.8E35 E37 R38 L39 C170E35-E168 HydrophobicContact CB-CG 4.46Å; E35-E168 CarbonylContact O-C 3.52Å; E37-E168 VanDerWaalsContact O-CB 3.31Å; E37-E168 WeakPolarHBondContact O-CB 3.5Å; R38-E168 WeakPolarHBondContact CA-OE1 3.48Å; R38-E168 WeakPolarHBondContact CB-OE1 3.32Å; L39-E168 HydrophobicContact CD1-CG 4.49Å; L39-E168 HydrophobicContact CD2-CG 4.36Å; L39-E168 HydrophobicContact CG-CG 3.82Å; L39-E168 PolarHBondContact N-OE1 3.35Å; E168-C170 PolarHBondContact O-N 2.97Å
169H93.9Very high93.5Very high115 Ų11563.6 Ų63.653%0.53235%0.347SS..  trans59.240.3174.8-57.5-64.8000114.9E35 R36 E37 P171E35-H169 PolarHBondContact O-N 3.08Å; E35-H169 VanDerWaalsContact O-N 3.13Å; R36-H169 CarbonylContact O-C 3.44Å; R36-H169 WeakPolarHBondContact O-CA 3.45Å; E37-H169 PolarHBondContact O-N 2.99Å; H169-P171 WeakPolarHBondContact O-CD 3.29Å
170C92.8Very high93Very high5 Ų567.9 Ų67.93%0.03437%0.371CS..  trans-104.572.5175.7-640000111.8E35 R36 E168 S172 L173E35-C170 WeakPolarHBondContact O-CB 3.41Å; E35-C170 PolarHBondContact O-N 3.49Å; R36-C170 WeakPolarHBondContact CA-O 3.43Å; R36-C170 PolarHBondContact O-N 2.96Å; E168-C170 PolarHBondContact O-N 2.97Å; C170-S172 PolarHBondContact O-N 3.48Å; C170-L173 HydrophobicContact CB-CD1 4.43Å; C170-L173 HydrophobicContact CB-CD2 3.89Å; C170-L173 HydrophobicContact CB-CG 4.21Å; C170-L173 WeakPolarHBondContact O-CG 3.42Å
171P86.2Confident92.4Very high85 Ų8565.5 Ų65.555%0.55236%0.361SS*.  trans-74.5-24.9-168.928.4-36.9000115.9R36 H169R36-P171 HydrophobicContact CG-CB 4.14Å; H169-P171 WeakPolarHBondContact O-CD 3.29Å
172S79Confident92.2Very high82 Ų8260.8 Ų60.857%0.57334%0.341SS*.  trans-108.256.2-172.7-58.30000111C170C170-S172 PolarHBondContact O-N 3.48Å
173L88.2Confident92.1Very high44 Ų4456.5 Ų56.523%0.2332%0.321CS..  trans-77.3125.1176.9-64.9175.8000110.2V10 L34 C170 E186 T187V10-L173 HydrophobicContact CG1-CD1 3.77Å; L34-L173 HydrophobicContact CB-CD1 3.77Å; L34-L173 HydrophobicContact CB-CD2 4.12Å; L34-L173 HydrophobicContact CD1-CD2 3.66Å; L34-L173 HydrophobicContact CG-CD2 4.47Å; C170-L173 HydrophobicContact CB-CD1 4.43Å; C170-L173 HydrophobicContact CB-CD2 3.89Å; C170-L173 HydrophobicContact CB-CG 4.21Å; C170-L173 WeakPolarHBondContact O-CG 3.42Å; L173-E186 WeakPolarHBondContact CA-O 3.07Å; L173-T187 HydrophobicContact CD2-CG2 3.46Å; L173-T187 VanDerWaalsContact CD2-CG2 3.46Å
174R92.4Very high92.1Very high154 Ų15456.2 Ų56.258%0.58131%0.308SS*.EExtended strand (participates in β ladder)trans-131.1132.7170.3-175.9-175.7-177.8-157.32.8109T176 V185 E186R174-T176 HydrophobicContact CG-CG2 4.48Å; R174-V185 CarbonylContact O-C 3.47Å; R174-E186 HydrophobicContact CB-CB 4.35Å; R174-E186 PolarHBondContact N-O 3.3Å; R174-E186 IonicContact NH1-OE2 3.22Å; R174-E186 PolarHBondContact O-N 3.33Å
175N92.6Very high92Very high7 Ų756.2 Ų56.24%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-116.8138.417751.3-76.7000110.1W183 N184 V185 I197 T212 Y340N175-W183 HydrophobicContact CB-CE3 4.44Å; N175-N184 CarbonylContact C-O 3.57Å; N175-N184 VanDerWaalsContact CA-O 3.24Å; N175-N184 WeakPolarHBondContact CA-O 3.47Å; N175-V185 HydrophobicContact CB-CG2 4.32Å; N175-I197 HydrophobicContact CB-CD1 3.47Å; N175-I197 VanDerWaalsContact CB-CD1 3.47Å; N175-T212 WeakPolarHBondContact ND2-CB 3.19Å; N175-T212 WeakPolarHBondContact ND2-CG2 3.33Å; N175-T212 PolarHBondContact ND2-OG1 2.8Å; N175-T212 PolarHBondContact OD1-OG1 3.15Å; N175-Y340 WeakPolarHBondContact ND2-CE2 3.49Å; N175-Y340 PolarHBondContact ND2-OH 2.77Å
176T94Very high91.9Very high38 Ų3856.7 Ų56.723%0.23331%0.308CS..EExtended strand (participates in β ladder)trans-137.7142.5179.956.70000110.4R174 W183 N184R174-T176 HydrophobicContact CG-CG2 4.48Å; T176-W183 WeakPolarHBondContact O-CA 3.44Å; T176-N184 PolarHBondContact N-O 3.46Å; T176-N184 PolarHBondContact O-N 2.95Å
177Y92.3Very high91.7Very high79 Ų7955.8 Ų55.831%0.3130%0.304SS..EExtended strand (participates in β ladder)trans-75129.8175.7-174.6-119.1000109.8G179 G181 H182 W183 E338Y177-G179 VanDerWaalsContact C-N 3.35Å; Y177-G181 WeakPolarHBondContact OH-CA 3.29Å; Y177-G181 PolarHBondContact OH-N 3.07Å; Y177-G181 VanDerWaalsContact OH-N 3.11Å; Y177-H182 WeakPolarHBondContact CD2-O 3.2Å; Y177-W183 HydrophobicContact CD2-CD2 4.33Å; Y177-W183 AromaticContact CD2-CE2 3.84Å; Y177-W183 HydrophobicContact CD2-CH2 4.48Å; Y177-W183 AromaticContact CD2-CZ2 3.93Å; Y177-W183 HydrophobicContact CD2-CZ2 3.93Å; Y177-W183 HydrophobicContact CG-CZ2 4.44Å; Y177-E338 HydrophobicContact CD2-CB 4.2Å; Y177-E338 HydrophobicContact CD2-CG 4.16Å; Y177-E338 HydrophobicContact CE1-CG 4.44Å; Y177-E338 HydrophobicContact CE2-CB 3.95Å; Y177-E338 HydrophobicContact CE2-CG 3.8Å
178A91.5Very high91.4Very high36 Ų3656.9 Ų56.930%0.29833%0.326SS..  trans-82.7-10.4-176.300000113.7H182A178-H182 HydrophobicContact CB-CB 4.41Å; A178-H182 WeakPolarHBondContact CB-O 3.28Å; A178-H182 PolarHBondContact N-O 3.2Å
179G85.9Confident91.1Very high59 Ų5958.8 Ų58.861%0.60834%0.339SS*.SBendtrans90.1-6.6179.800000115.3Y177Y177-G179 VanDerWaalsContact C-N 3.35Å
180D87.6Confident91Very high91 Ų9155 Ų5549%0.48733%0.331SS..SBendtrans-125.830.5-174.264.21.1000112.9H182 R193D180-H182 VanDerWaalsContact C-N 3.3Å; D180-H182 PolarHBondContact O-N 3.06Å; D180-H182 PolarHBondContact O-ND1 3.44Å; D180-H182 VanDerWaalsContact O-ND1 3.09Å; D180-H182 WeakPolarHBondContact OD1-CB 3.26Å; D180-H182 IonicContact OD1-CG 2.69Å; D180-H182 PolarHBondContact OD1-N 3.37Å; D180-H182 IonicContact OD1-ND1 3.88Å; D180-R193 IonicContact OD1-CZ 2.66Å; D180-R193 IonicContact OD1-NH1 3.85Å; D180-R193 PolarHBondContact OD1-NH1 3.1Å; D180-R193 IonicContact OD1-NH2 2.71Å; D180-R193 PolarHBondContact OD1-NH2 2.87Å; D180-R193 IonicContact OD2-CZ 2.87Å; D180-R193 IonicContact OD2-NH1 3.27Å; D180-R193 IonicContact OD2-NH2 3.86Å; D180-R193 PolarHBondContact OD2-NH2 3.24Å
181G85.7Confident91.1Very high25 Ų2557.5 Ų57.526%0.25835%0.348SS..SBendtrans80.94.8-178.400000114.8Y177Y177-G181 WeakPolarHBondContact OH-CA 3.29Å; Y177-G181 PolarHBondContact OH-N 3.07Å; Y177-G181 VanDerWaalsContact OH-N 3.11Å
182H93.2Very high91.7Very high66 Ų6653.5 Ų53.531%0.30632%0.321SS..  trans-116.2162.9177.8-62.368.5000112.1Y177 A178 D180 R193 T194Y177-H182 WeakPolarHBondContact CD2-O 3.2Å; A178-H182 HydrophobicContact CB-CB 4.41Å; A178-H182 WeakPolarHBondContact CB-O 3.28Å; A178-H182 PolarHBondContact N-O 3.2Å; D180-H182 VanDerWaalsContact C-N 3.3Å; D180-H182 PolarHBondContact O-N 3.06Å; D180-H182 PolarHBondContact O-ND1 3.44Å; D180-H182 VanDerWaalsContact O-ND1 3.09Å; D180-H182 WeakPolarHBondContact OD1-CB 3.26Å; D180-H182 IonicContact OD1-CG 2.69Å; D180-H182 PolarHBondContact OD1-N 3.37Å; D180-H182 IonicContact OD1-ND1 3.88Å; H182-R193 HydrophobicContact CB-CG 4.3Å; H182-R193 PolarHBondContact ND1-NH2 2.85Å; H182-T194 CarbonylContact C-O 3.57Å; H182-T194 VanDerWaalsContact CA-O 3.27Å; H182-T194 WeakPolarHBondContact CA-O 3.39Å; H182-T194 WeakPolarHBondContact CB-O 3.19Å
183W95.7Very high92.5Very high3 Ų353.5 Ų53.51%0.01131%0.309CS..EExtended strand (participates in β ladder)trans-113.9145.1172.4-67.781.8000110.8N175 T176 Y177 R193 T194 I197 T212 L213 L335 E338 Y340N175-W183 HydrophobicContact CB-CE3 4.44Å; T176-W183 WeakPolarHBondContact O-CA 3.44Å; Y177-W183 HydrophobicContact CD2-CD2 4.33Å; Y177-W183 AromaticContact CD2-CE2 3.84Å; Y177-W183 HydrophobicContact CD2-CH2 4.48Å; Y177-W183 AromaticContact CD2-CZ2 3.93Å; Y177-W183 HydrophobicContact CD2-CZ2 3.93Å; Y177-W183 HydrophobicContact CG-CZ2 4.44Å; W183-R193 CarbonylContact O-C 3.59Å; W183-R193 WeakPolarHBondContact O-CA 3.44Å; W183-T194 HydrophobicContact CB-CG2 4.03Å; W183-T194 PolarHBondContact N-O 3.44Å; W183-T194 PolarHBondContact O-N 3.37Å; W183-I197 HydrophobicContact CD2-CG2 3.91Å; W183-I197 HydrophobicContact CG-CB 4.42Å; W183-I197 HydrophobicContact CG-CG2 3.85Å; W183-T212 HydrophobicContact CH2-CG2 4.17Å; W183-T212 HydrophobicContact CZ3-CG2 3.6Å; W183-L213 HydrophobicContact CH2-CD2 3.9Å; W183-L335 HydrophobicContact CH2-CD1 4.22Å; W183-L335 HydrophobicContact CZ2-CD1 4.04Å; W183-E338 HydrophobicContact CZ2-CB 3.73Å; W183-E338 VanDerWaalsContact CZ2-OE2 3.27Å; W183-E338 WeakPolarHBondContact CZ2-OE2 3.44Å; W183-E338 PolarHBondContact NE1-O 2.87Å; W183-Y340 HydrophobicContact CD2-CD2 4.21Å; W183-Y340 AromaticContact CE2-CD2 3.78Å; W183-Y340 HydrophobicContact CE3-CD2 4.24Å; W183-Y340 HydrophobicContact CE3-CE2 4.39Å; W183-Y340 AromaticContact CH2-CD2 3.53Å; W183-Y340 HydrophobicContact CH2-CD2 3.53Å; W183-Y340 HydrophobicContact CH2-CE2 4.01Å; W183-Y340 HydrophobicContact CH2-CG 4.42Å; W183-Y340 AromaticContact CZ2-CD2 3.43Å; W183-Y340 HydrophobicContact CZ2-CD2 3.43Å; W183-Y340 VanDerWaalsContact CZ2-CD2 3.43Å; W183-Y340 HydrophobicContact CZ2-CE2 4.33Å; W183-Y340 HydrophobicContact CZ2-CG 4.12Å; W183-Y340 AromaticContact CZ3-CD2 3.92Å; W183-Y340 HydrophobicContact CZ3-CD2 3.92Å; W183-Y340 HydrophobicContact CZ3-CE2 4.03Å
184N96.3Very high93Very high45 Ų4551.4 Ų51.424%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-101.4122165.7-64.2-34.7000108N175 T176N175-N184 CarbonylContact C-O 3.57Å; N175-N184 VanDerWaalsContact CA-O 3.24Å; N175-N184 WeakPolarHBondContact CA-O 3.47Å; T176-N184 PolarHBondContact N-O 3.46Å; T176-N184 PolarHBondContact O-N 2.95Å
185V96.3Very high93Very high1 Ų145.4 Ų45.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-108.2101.4174.8-172.70000108.3V8 L34 R174 N175 C191 I192 T194 I197V8-V185 HydrophobicContact CB-CG2 4.27Å; V8-V185 HydrophobicContact CG1-CB 4.44Å; V8-V185 HydrophobicContact CG1-CG1 4.25Å; V8-V185 HydrophobicContact CG1-CG2 4.06Å; V8-V185 HydrophobicContact CG2-CG2 4.39Å; L34-V185 HydrophobicContact CD1-CG1 3.59Å; R174-V185 CarbonylContact O-C 3.47Å; N175-V185 HydrophobicContact CB-CG2 4.32Å; V185-C191 CarbonylContact O-C 3.58Å; V185-C191 WeakPolarHBondContact O-CA 3.39Å; V185-I192 PolarHBondContact N-O 3.11Å; V185-I192 PolarHBondContact O-N 3.23Å; V185-T194 HydrophobicContact CG2-CG2 4.26Å; V185-I197 HydrophobicContact CG2-CD1 3.91Å
186E95.6Very high93.2Very high72 Ų7246.2 Ų46.234%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-83.3133.1-180-63.1171.8-174.800110.3L173 R174L173-E186 WeakPolarHBondContact CA-O 3.07Å; R174-E186 HydrophobicContact CB-CB 4.35Å; R174-E186 PolarHBondContact N-O 3.3Å; R174-E186 IonicContact NH1-OE2 3.22Å; R174-E186 PolarHBondContact O-N 3.33Å
187T93.8Very high93.3Very high19 Ų1944.4 Ų44.412%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-129.8172.3172.580.40000108.8M1 L34 L173 D189 G190M1-T187 HydrophobicContact CE-CG2 3.9Å; M1-T187 WeakPolarHBondContact CE-OG1 3.33Å; M1-T187 HydrophobicContact SD-CG2 3.63Å; M1-T187 PolarHBondContact SD-OG1 2.83Å; L34-T187 HydrophobicContact CD1-CG2 4.07Å; L173-T187 HydrophobicContact CD2-CG2 3.46Å; L173-T187 VanDerWaalsContact CD2-CG2 3.46Å; T187-D189 PolarHBondContact O-N 3.44Å; T187-D189 PolarHBondContact OG1-N 2.93Å; T187-D189 VanDerWaalsContact OG1-N 3.11Å; T187-G190 PolarHBondContact N-O 2.82Å; T187-G190 PolarHBondContact O-N 3.46Å; T187-G190 PolarHBondContact OG1-N 3.25Å; T187-G190 PolarHBondContact OG1-O 2.62Å
188A91.2Very high93.6Very high85 Ų8540.7 Ų40.770%0.70226%0.26SS*.THydrogen-bonded Turntrans-62.3-25.8173.300000113.3
189D88.6Confident93.9Very high124 Ų12439 Ų3966%0.66325%0.246SC*.THydrogen-bonded Turntrans-99.73.3-174.2-62.2-40.9000113.6M1 T187M1-D189 HydrophobicContact CE-CB 4.08Å; T187-D189 PolarHBondContact O-N 3.44Å; T187-D189 PolarHBondContact OG1-N 2.93Å; T187-D189 VanDerWaalsContact OG1-N 3.11Å
190G92.2Very high94.4Very high35 Ų3536.4 Ų36.436%0.36122%0.219SC..EExtended strand (participates in β ladder)trans141.3-175.7179.700000113.9T187T187-G190 PolarHBondContact N-O 2.82Å; T187-G190 PolarHBondContact O-N 3.46Å; T187-G190 PolarHBondContact OG1-N 3.25Å; T187-G190 PolarHBondContact OG1-O 2.62Å
191C95.7Very high94.7Very high58 Ų5833 Ų3339%0.39220%0.203SC..EExtended strand (participates in β ladder)trans-116.7130-179.9179.30000110.1V185V185-C191 CarbonylContact O-C 3.58Å; V185-C191 WeakPolarHBondContact O-CA 3.39Å
192I97.4Very high95Very high0 Ų033.5 Ų33.50%021%0.209CC..EExtended strand (participates in β ladder)trans-101.2124172.7-59.7156.9000108.4M1 V2 A5 V8 V32 L34 V185M1-I192 HydrophobicContact CG-CD1 3.87Å; M1-I192 HydrophobicContact CG-CG1 4.05Å; M1-I192 HydrophobicContact SD-CD1 3.67Å; M1-I192 HydrophobicContact SD-CG1 4.03Å; V2-I192 HydrophobicContact CG2-CG1 4.46Å; V2-I192 VanDerWaalsContact O-CG1 3.3Å; V2-I192 WeakPolarHBondContact O-CG1 3.44Å; A5-I192 HydrophobicContact CB-CG2 3.75Å; V8-I192 HydrophobicContact CG2-CB 4.43Å; V8-I192 HydrophobicContact CG2-CG2 3.7Å; V32-I192 HydrophobicContact CG1-CD1 3.94Å; L34-I192 HydrophobicContact CD1-CD1 4.05Å; L34-I192 HydrophobicContact CD2-CD1 3.99Å; L34-I192 HydrophobicContact CG-CD1 4.49Å; V185-I192 PolarHBondContact N-O 3.11Å; V185-I192 PolarHBondContact O-N 3.23Å
193R97.3Very high94.9Very high82 Ų8231 Ų3131%0.30920%0.197SC..EExtended strand (participates in β ladder)trans-89.4131.7170.5-175.9175.3167.5870.1110.2S3 D4 A5 D180 H182 W183S3-R193 PolarHBondContact O-N 3.43Å; D4-R193 WeakPolarHBondContact CA-O 3.1Å; A5-R193 PolarHBondContact N-O 3.23Å; D180-R193 IonicContact OD1-CZ 2.66Å; D180-R193 IonicContact OD1-NH1 3.85Å; D180-R193 PolarHBondContact OD1-NH1 3.1Å; D180-R193 IonicContact OD1-NH2 2.71Å; D180-R193 PolarHBondContact OD1-NH2 2.87Å; D180-R193 IonicContact OD2-CZ 2.87Å; D180-R193 IonicContact OD2-NH1 3.27Å; D180-R193 IonicContact OD2-NH2 3.86Å; D180-R193 PolarHBondContact OD2-NH2 3.24Å; H182-R193 HydrophobicContact CB-CG 4.3Å; H182-R193 PolarHBondContact ND1-NH2 2.85Å; W183-R193 CarbonylContact O-C 3.59Å; W183-R193 WeakPolarHBondContact O-CA 3.44Å
194T97.3Very high94.7Very high1 Ų133.2 Ų33.21%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-144.7151-176.8-167.60000114.6A5 D6 V7 V8 H182 W183 V185 N196A5-T194 WeakPolarHBondContact O-CA 3.47Å; A5-T194 WeakPolarHBondContact O-CB 3.49Å; A5-T194 PolarHBondContact O-OG1 3.26Å; D6-T194 PolarHBondContact O-OG1 2.97Å; V7-T194 PolarHBondContact N-OG1 3.25Å; V8-T194 HydrophobicContact CB-CG2 3.98Å; V8-T194 HydrophobicContact CG2-CG2 3.67Å; H182-T194 CarbonylContact C-O 3.57Å; H182-T194 VanDerWaalsContact CA-O 3.27Å; H182-T194 WeakPolarHBondContact CA-O 3.39Å; H182-T194 WeakPolarHBondContact CB-O 3.19Å; W183-T194 HydrophobicContact CB-CG2 4.03Å; W183-T194 PolarHBondContact N-O 3.44Å; W183-T194 PolarHBondContact O-N 3.37Å; V185-T194 HydrophobicContact CG2-CG2 4.26Å; T194-N196 WeakPolarHBondContact CG2-O 3.37Å; T194-N196 PolarHBondContact OG1-N 3.29Å; T194-N196 PolarHBondContact OG1-O 2.91Å; T194-N196 VanDerWaalsContact OG1-O 3.14Å
195A93.5Very high94.5Very high27 Ų2731 Ų3122%0.22320%0.198CC..EExtended strand (participates in β ladder)trans-79.9-29.3174.300000112.5N339A195-N339 WeakPolarHBondContact O-CB 3.35Å; A195-N339 PolarHBondContact O-ND2 2.7Å
196N95.8Very high94.3Very high25 Ų2532.3 Ų32.313%0.13420%0.203CC..EExtended strand (participates in β ladder)trans-130.6134.6-178.4-65.6-88.6000111D6 V7 V8 T194 N339 W341D6-N196 PolarHBondContact O-N 2.91Å; D6-N196 PolarHBondContact O-ND2 2.94Å; V7-N196 WeakPolarHBondContact CA-O 3.42Å; V7-N196 HydrophobicContact CB-CB 4.34Å; V7-N196 HydrophobicContact CG1-CB 4.01Å; V7-N196 HydrophobicContact CG2-CB 4.11Å; V8-N196 PolarHBondContact N-O 3.26Å; T194-N196 WeakPolarHBondContact CG2-O 3.37Å; T194-N196 PolarHBondContact OG1-N 3.29Å; T194-N196 PolarHBondContact OG1-O 2.91Å; T194-N196 VanDerWaalsContact OG1-O 3.14Å; N196-N339 WeakPolarHBondContact OD1-CB 3.43Å; N196-W341 PolarHBondContact OD1-NE1 2.87Å; N196-W341 VanDerWaalsContact OD1-NE1 3.08Å
197I96.8Very high94.1Very high0 Ų032 Ų320%020%0.202CC..EExtended strand (participates in β ladder)trans-120.8132.1170.8-172.7174.2000110.2V8 V10 N175 W183 V185 I199 N339 Y340 W341V8-I197 CarbonylContact O-C 3.56Å; V8-I197 WeakPolarHBondContact O-CA 3.26Å; V10-I197 HydrophobicContact CG2-CD1 4.23Å; V10-I197 HydrophobicContact CG2-CG1 4.34Å; N175-I197 HydrophobicContact CB-CD1 3.47Å; N175-I197 VanDerWaalsContact CB-CD1 3.47Å; W183-I197 HydrophobicContact CD2-CG2 3.91Å; W183-I197 HydrophobicContact CG-CB 4.42Å; W183-I197 HydrophobicContact CG-CG2 3.85Å; V185-I197 HydrophobicContact CG2-CD1 3.91Å; I197-I199 HydrophobicContact CD1-CD1 3.85Å; I197-I199 HydrophobicContact CG1-CD1 3.94Å; I197-N339 PolarHBondContact N-O 3.13Å; I197-N339 VanDerWaalsContact N-O 3.13Å; I197-Y340 HydrophobicContact CD1-CE2 4.39Å; I197-Y340 HydrophobicContact CG2-CD2 3.24Å; I197-Y340 HydrophobicContact CG2-CE2 3.7Å; I197-Y340 HydrophobicContact CG2-CG 3.95Å; I197-W341 PolarHBondContact O-N 3.18Å
198V97.9Very high94Very high0 Ų032.2 Ų32.20%020%0.204CC..EExtended strand (participates in β ladder)trans-118.3113.1178.3-170.60000109.9V7 V8 I9 V10 I19 A200 W341 L360 I364V7-V198 HydrophobicContact CG1-CG2 3.94Å; V8-V198 PolarHBondContact O-N 3.28Å; I9-V198 CarbonylContact C-O 3.6Å; I9-V198 WeakPolarHBondContact CA-O 3.44Å; I9-V198 HydrophobicContact CG1-CB 4.23Å; I9-V198 HydrophobicContact CG1-CG2 4.45Å; V10-V198 PolarHBondContact N-O 3.42Å; I19-V198 HydrophobicContact CD1-CG1 4Å; I19-V198 HydrophobicContact CG2-CG1 4.47Å; V198-A200 PolarHBondContact O-N 2.99Å; V198-W341 CarbonylContact C-O 3.2Å; V198-W341 WeakPolarHBondContact CA-O 3.27Å; V198-W341 HydrophobicContact CB-CB 4.32Å; V198-W341 HydrophobicContact CG1-CB 4.18Å; V198-W341 HydrophobicContact CG2-CB 4.02Å; V198-W341 HydrophobicContact CG2-CG 4.36Å; V198-L360 HydrophobicContact CG1-CD1 4.45Å; V198-I364 HydrophobicContact CG2-CD1 3.77Å
199I97.5Very high94.1Very high0 Ų028.2 Ų28.20%017%0.171CC..EExtended strand (participates in β ladder)trans-87.7107.3175.9-48.5-57.1000109.7V10 I197 A201 V209 Y340 W341 I342 A343 L344V10-I199 HydrophobicContact CB-CD1 3.98Å; V10-I199 HydrophobicContact CG2-CD1 4.01Å; I197-I199 HydrophobicContact CD1-CD1 3.85Å; I197-I199 HydrophobicContact CG1-CD1 3.94Å; I199-A201 HydrophobicContact CG2-CB 4.22Å; I199-V209 HydrophobicContact CB-CG2 4.46Å; I199-V209 HydrophobicContact CG1-CG2 4.33Å; I199-V209 HydrophobicContact CG2-CG2 4.22Å; I199-Y340 HydrophobicContact CD1-CE2 4.41Å; I199-Y340 HydrophobicContact CG1-CE1 3.65Å; I199-Y340 HydrophobicContact CG1-CE2 4.33Å; I199-Y340 VanDerWaalsContact CG1-CZ 3.5Å; I199-Y340 VanDerWaalsContact CG1-OH 3.28Å; I199-Y340 WeakPolarHBondContact CG1-OH 3.42Å; I199-W341 PolarHBondContact N-O 2.84Å; I199-I342 HydrophobicContact CB-CG2 4.23Å; I199-A343 PolarHBondContact O-N 2.68Å; I199-L344 HydrophobicContact CG2-CD1 4.14Å; I199-L344 HydrophobicContact CG2-CD2 4.4Å
200A97.2Very high94.3Very high6 Ų627.1 Ų27.15%0.0516%0.161CC..  trans-120.828.4175.700000111.5I9 V10 I15 I19 V198 G202I9-A200 HydrophobicContact CG2-CB 4.32Å; V10-A200 CarbonylContact O-C 3.42Å; V10-A200 WeakPolarHBondContact O-CA 3.09Å; V10-A200 PolarHBondContact O-N 2.76Å; I15-A200 HydrophobicContact CG2-CB 4.13Å; I19-A200 HydrophobicContact CD1-CB 4.26Å; V198-A200 PolarHBondContact O-N 2.99Å; A200-G202 PolarHBondContact O-N 3.37Å
201A94.3Very high94.3Very high19 Ų1929.8 Ų29.816%0.15718%0.179CC..  trans-77.923.1-171.400000114.9V10 I199 L203 D204 G205V10-A201 HydrophobicContact CG1-CB 4.32Å; V10-A201 PolarHBondContact O-N 3.18Å; V10-A201 VanDerWaalsContact O-N 3.08Å; I199-A201 HydrophobicContact CG2-CB 4.22Å; A201-L203 PolarHBondContact O-N 2.77Å; A201-L203 VanDerWaalsContact O-N 3.14Å; A201-D204 HydrophobicContact CB-CB 4.47Å; A201-D204 PolarHBondContact O-N 2.88Å; A201-G205 PolarHBondContact O-N 3.09Å
202G92.2Very high94.1Very high36 Ų3628.6 Ų28.637%0.37117%0.17SC..G310 helixtrans46.7-119.3174.700000113.5A200 D204 G205A200-G202 PolarHBondContact O-N 3.37Å; G202-D204 VanDerWaalsContact C-N 3.29Å; G202-D204 PolarHBondContact O-N 3.11Å; G202-G205 PolarHBondContact O-N 3.28Å; G202-G205 VanDerWaalsContact O-N 3.14Å
203L90.5Very high93.8Very high12 Ų1230.6 Ų30.66%0.06318%0.18CC..G310 helixtrans-63.9-30.9-177.3-56.3176.6000113.1A201 G205 Q207 Y221 W276 A320 C322A201-L203 PolarHBondContact O-N 2.77Å; A201-L203 VanDerWaalsContact O-N 3.14Å; L203-G205 VanDerWaalsContact C-N 3.34Å; L203-Q207 PolarHBondContact O-OE1 3.05Å; L203-Y221 HydrophobicContact CB-CE1 4.35Å; L203-Y221 HydrophobicContact CD2-CD1 4.2Å; L203-Y221 HydrophobicContact CD2-CE1 4.27Å; L203-Y221 WeakPolarHBondContact O-CE1 3.39Å; L203-Y221 PolarHBondContact O-OH 2.8Å; L203-W276 HydrophobicContact CB-CD2 3.85Å; L203-W276 VanDerWaalsContact CB-CE2 3.5Å; L203-W276 HydrophobicContact CB-CG 4.05Å; L203-W276 HydrophobicContact CB-CZ2 3.95Å; L203-W276 HydrophobicContact CD1-CD2 4.32Å; L203-W276 HydrophobicContact CD1-CE3 4.44Å; L203-W276 HydrophobicContact CD1-CH2 3.41Å; L203-W276 VanDerWaalsContact CD1-CH2 3.41Å; L203-W276 HydrophobicContact CD1-CZ2 3.24Å; L203-W276 HydrophobicContact CD1-CZ3 4.04Å; L203-W276 HydrophobicContact CG-CZ2 4.18Å; L203-A320 HydrophobicContact CD1-CB 4.24Å; L203-A320 WeakPolarHBondContact CD2-O 3.48Å; L203-C322 HydrophobicContact CD2-CB 3.61Å
204D90.7Very high93.6Very high50 Ų5035.4 Ų35.427%0.26721%0.206SC..G310 helixtrans-85-7.5178.2-63.7-76.3000113R36 A201 G202 K206 Q207 S208R36-D204 IonicContact CZ-OD2 3.18Å; R36-D204 IonicContact NH1-OD1 2.87Å; R36-D204 PolarHBondContact NH1-OD1 2.96Å; R36-D204 IonicContact NH1-OD2 2.7Å; R36-D204 PolarHBondContact NH1-OD2 2.93Å; R36-D204 IonicContact NH2-OD2 3.95Å; A201-D204 HydrophobicContact CB-CB 4.47Å; A201-D204 PolarHBondContact O-N 2.88Å; G202-D204 VanDerWaalsContact C-N 3.29Å; G202-D204 PolarHBondContact O-N 3.11Å; D204-K206 VanDerWaalsContact C-N 3.35Å; D204-K206 PolarHBondContact O-N 3.39Å; D204-Q207 PolarHBondContact O-N 2.99Å; D204-S208 WeakPolarHBondContact O-CB 3.33Å; D204-S208 PolarHBondContact O-N 3.06Å
205G92.9Very high93.2Very high0 Ų038.9 Ų38.90%022%0.22CC..Hα-helixtrans-62.7-37.4-174.900000113.7A201 G202 L203 Q207 S208 V209A201-G205 PolarHBondContact O-N 3.09Å; G202-G205 PolarHBondContact O-N 3.28Å; G202-G205 VanDerWaalsContact O-N 3.14Å; L203-G205 VanDerWaalsContact C-N 3.34Å; G205-Q207 PolarHBondContact O-N 2.73Å; G205-S208 PolarHBondContact O-N 3.36Å; G205-V209 WeakPolarHBondContact O-CG2 3.29Å; G205-V209 PolarHBondContact O-N 2.95Å
206K92.8Very high93Very high28 Ų2841.3 Ų41.312%0.12223%0.227CC..Hα-helixtrans-60.2-48.3177.4-174.1-177.2-178.9176.60111D204 K210 E216 L217 L219 Y221D204-K206 VanDerWaalsContact C-N 3.35Å; D204-K206 PolarHBondContact O-N 3.39Å; K206-K210 WeakPolarHBondContact O-CB 3.42Å; K206-K210 PolarHBondContact O-N 2.66Å; K206-E216 VanDerWaalsContact CE-OE1 3.31Å; K206-E216 WeakPolarHBondContact CE-OE1 3.16Å; K206-E216 IonicContact NZ-OE1 3.95Å; K206-E216 PolarHBondContact NZ-OE1 2.86Å; K206-L217 WeakPolarHBondContact CE-O 3.28Å; K206-L219 HydrophobicContact CB-CB 4.37Å; K206-L219 HydrophobicContact CB-CD1 4.27Å; K206-L219 HydrophobicContact CD-CB 4.16Å; K206-L219 WeakPolarHBondContact CD-O 3.23Å; K206-L219 HydrophobicContact CG-CB 4.39Å; K206-L219 PolarHBondContact NZ-O 3.41Å; K206-Y221 WeakPolarHBondContact CB-OH 3.31Å; K206-Y221 HydrophobicContact CD-CE2 4.28Å
207Q90.7Very high92.9Very high64 Ų6440.1 Ų40.130%0.29922%0.22SC..Hα-helixtrans-67.6-41.8179.9-68.675.86.800111.1L203 D204 G205 V209 K210 A211 Y221 W276L203-Q207 PolarHBondContact O-OE1 3.05Å; D204-Q207 PolarHBondContact O-N 2.99Å; G205-Q207 PolarHBondContact O-N 2.73Å; Q207-V209 PolarHBondContact O-N 3.12Å; Q207-K210 PolarHBondContact O-N 3.46Å; Q207-A211 VanDerWaalsContact O-CB 3.3Å; Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 3.15Å; Q207-Y221 PolarHBondContact NE2-OH 2.79Å; Q207-Y221 PolarHBondContact OE1-OH 3.13Å; Q207-W276 PolarHBondContact NE2-O 2.85Å
208S91.6Very high92.8Very high25 Ų2540.1 Ų40.118%0.17522%0.22CC..Hα-helixtrans-58-46.9176.8171.10000112D204 G205 T212D204-S208 WeakPolarHBondContact O-CB 3.33Å; D204-S208 PolarHBondContact O-N 3.06Å; G205-S208 PolarHBondContact O-N 3.36Å; S208-T212 PolarHBondContact O-N 2.9Å; S208-T212 PolarHBondContact O-OG1 2.97Å
209V93.7Very high92.6Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-66.6-44.5176.9173.80000111.5I199 G205 Q207 A211 T212 L213 L217 L334 Y340 I342 L344I199-V209 HydrophobicContact CB-CG2 4.46Å; I199-V209 HydrophobicContact CG1-CG2 4.33Å; I199-V209 HydrophobicContact CG2-CG2 4.22Å; G205-V209 WeakPolarHBondContact O-CG2 3.29Å; G205-V209 PolarHBondContact O-N 2.95Å; Q207-V209 PolarHBondContact O-N 3.12Å; V209-A211 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 3Å; V209-T212 PolarHBondContact O-N 2.71Å; V209-L213 HydrophobicContact CG1-CD1 4.18Å; V209-L213 PolarHBondContact O-N 2.8Å; V209-L217 HydrophobicContact CB-CD1 3.81Å; V209-L217 HydrophobicContact CB-CG 4.3Å; V209-L217 HydrophobicContact CG1-CD1 3.93Å; V209-L217 HydrophobicContact CG1-CD2 4.44Å; V209-L217 HydrophobicContact CG1-CG 3.95Å; V209-L217 HydrophobicContact CG2-CD1 3.79Å; V209-L334 HydrophobicContact CG1-CD2 3.62Å; V209-Y340 HydrophobicContact CG2-CE1 4.1Å; V209-I342 HydrophobicContact CG2-CG2 4.17Å; V209-L344 HydrophobicContact CG2-CD1 4.24Å
210K92.5Very high92.5Very high102 Ų10241 Ų4144%0.44323%0.225SC..Hα-helixtrans-61-41.4178.1-175.3169.8-177.7164.70112.5K206 Q207 T212 Q214 Y215 E216K206-K210 WeakPolarHBondContact O-CB 3.42Å; K206-K210 PolarHBondContact O-N 2.66Å; Q207-K210 PolarHBondContact O-N 3.46Å; K210-T212 VanDerWaalsContact C-N 3.26Å; K210-T212 PolarHBondContact O-N 3.25Å; K210-Q214 VanDerWaalsContact O-CA 3.24Å; K210-Q214 WeakPolarHBondContact O-CA 3.45Å; K210-Q214 PolarHBondContact O-N 3.32Å; K210-Y215 WeakPolarHBondContact CA-O 3.45Å; K210-E216 IonicContact NZ-OE2 3.6Å; K210-E216 PolarHBondContact NZ-OE2 3.29Å
211A91.9Very high92.3Very high90 Ų9040.8 Ų40.874%0.74422%0.223SC*.Hα-helixtrans-65.9-29.2178.600000113Q207 V209Q207-A211 VanDerWaalsContact O-CB 3.3Å; Q207-A211 WeakPolarHBondContact O-CB 3.47Å; Q207-A211 PolarHBondContact O-N 3.15Å; V209-A211 VanDerWaalsContact C-N 3.35Å; V209-A211 PolarHBondContact O-N 3Å
212T92.2Very high92.2Very high33 Ų3339.9 Ų39.920%0.20222%0.215CC..Hα-helixtrans-86.6-52.8-178.8-53.70000112.1N175 W183 S208 V209 K210 Y340N175-T212 WeakPolarHBondContact ND2-CB 3.19Å; N175-T212 WeakPolarHBondContact ND2-CG2 3.33Å; N175-T212 PolarHBondContact ND2-OG1 2.8Å; N175-T212 PolarHBondContact OD1-OG1 3.15Å; W183-T212 HydrophobicContact CH2-CG2 4.17Å; W183-T212 HydrophobicContact CZ3-CG2 3.6Å; S208-T212 PolarHBondContact O-N 2.9Å; S208-T212 PolarHBondContact O-OG1 2.97Å; V209-T212 PolarHBondContact O-N 2.71Å; K210-T212 VanDerWaalsContact C-N 3.26Å; K210-T212 PolarHBondContact O-N 3.25Å; T212-Y340 HydrophobicContact CG2-CE2 4.06Å
213L91.5Very high92.2Very high42 Ų4238.3 Ų38.322%0.2220%0.198CC..Hα-helixtrans-106.1-4.2-165.5-57-176.6000113.3W183 V209 Y215 L334 L335 Y340W183-L213 HydrophobicContact CH2-CD2 3.9Å; V209-L213 HydrophobicContact CG1-CD1 4.18Å; V209-L213 PolarHBondContact O-N 2.8Å; L213-Y215 PolarHBondContact O-N 2.99Å; L213-L334 HydrophobicContact CD1-CD2 3.75Å; L213-L334 HydrophobicContact CD1-CG 4.48Å; L213-L335 HydrophobicContact CD1-CD1 3.89Å; L213-L335 HydrophobicContact CD1-CD2 3.95Å; L213-L335 HydrophobicContact CD1-CG 3.9Å; L213-L335 HydrophobicContact CD2-CD1 3.66Å; L213-L335 HydrophobicContact CG-CD1 4.44Å; L213-Y340 HydrophobicContact CD1-CD1 3.99Å; L213-Y340 HydrophobicContact CD1-CE1 3.89Å; L213-Y340 HydrophobicContact CD1-CG 4.41Å
214Q91.6Very high92.2Very high183 Ų18337.9 Ų37.986%0.85520%0.196SC*.SBendtrans54.423.8-170-56.4-178.5-8.600112.8K210K210-Q214 VanDerWaalsContact O-CA 3.24Å; K210-Q214 WeakPolarHBondContact O-CA 3.45Å; K210-Q214 PolarHBondContact O-N 3.32Å
215Y88.6Confident92.2Very high74 Ų7435.6 Ų35.629%0.2918%0.184SC..  trans-106.4130.1-179.1-176.8-110.3000110.3K210 L213 L217 L334K210-Y215 WeakPolarHBondContact CA-O 3.45Å; L213-Y215 PolarHBondContact O-N 2.99Å; Y215-L217 HydrophobicContact CD1-CD2 4.03Å; Y215-L217 HydrophobicContact CD1-CG 4.43Å; Y215-L217 HydrophobicContact CE1-CD2 3.79Å; Y215-L334 HydrophobicContact CD1-CD1 4.3Å; Y215-L334 HydrophobicContact CD1-CD2 4.35Å; Y215-L334 HydrophobicContact CE1-CD1 3.99Å
216E89.4Confident92.1Very high78 Ų7835.6 Ų35.636%0.36418%0.184SC..  trans-97.3104.7178.6-177.515617100111.5K206 K210K206-E216 VanDerWaalsContact CE-OE1 3.31Å; K206-E216 WeakPolarHBondContact CE-OE1 3.16Å; K206-E216 IonicContact NZ-OE1 3.95Å; K206-E216 PolarHBondContact NZ-OE1 2.86Å; K210-E216 IonicContact NZ-OE2 3.6Å; K210-E216 PolarHBondContact NZ-OE2 3.29Å
217L94Very high92.1Very high0 Ų034.5 Ų34.50%018%0.179CC..  trans-59.9146.5174.3-68172.5000111.6K206 V209 Y215 L219 L330 L334 I342 L344K206-L217 WeakPolarHBondContact CE-O 3.28Å; V209-L217 HydrophobicContact CB-CD1 3.81Å; V209-L217 HydrophobicContact CB-CG 4.3Å; V209-L217 HydrophobicContact CG1-CD1 3.93Å; V209-L217 HydrophobicContact CG1-CD2 4.44Å; V209-L217 HydrophobicContact CG1-CG 3.95Å; V209-L217 HydrophobicContact CG2-CD1 3.79Å; Y215-L217 HydrophobicContact CD1-CD2 4.03Å; Y215-L217 HydrophobicContact CD1-CG 4.43Å; Y215-L217 HydrophobicContact CE1-CD2 3.79Å; L217-L219 HydrophobicContact CB-CD1 4.03Å; L217-L219 HydrophobicContact CB-CG 3.95Å; L217-L219 HydrophobicContact CD1-CD1 3.88Å; L217-L219 PolarHBondContact O-N 3.46Å; L217-L330 HydrophobicContact CB-CD1 4.39Å; L217-L330 HydrophobicContact CD2-CD1 3.88Å; L217-L334 HydrophobicContact CD2-CD1 4.12Å; L217-L334 HydrophobicContact CD2-CD2 4.2Å; L217-I342 HydrophobicContact CD1-CD1 4.4Å; L217-I342 HydrophobicContact CD2-CD1 3.92Å; L217-L344 HydrophobicContact CD1-CD1 3.69Å
218P94.4Very high92.2Very high0 Ų034.2 Ų34.20%018%0.177CC..SBendtrans-75.347.4177.438.6-43.9000111.3P325 L330 F381P218-P325 VanDerWaalsContact O-CD 3.28Å; P218-P325 WeakPolarHBondContact O-CD 3.49Å; P218-L330 HydrophobicContact CG-CD1 3.97Å; P218-L330 HydrophobicContact CG-CD2 4.41Å; P218-F381 HydrophobicContact CB-CB 3.78Å; P218-F381 HydrophobicContact CB-CD2 3.99Å; P218-F381 HydrophobicContact CB-CG 3.89Å; P218-F381 HydrophobicContact CG-CB 3.66Å; P218-F381 HydrophobicContact CG-CD2 3.48Å; P218-F381 VanDerWaalsContact CG-CD2 3.48Å; P218-F381 HydrophobicContact CG-CE2 4.34Å; P218-F381 HydrophobicContact CG-CG 3.79Å
219L95.2Very high92.4Very high0 Ų033.2 Ų33.20%017%0.17CC..  trans-104.3135.2-178.7-65.4178.1000109.9K206 L217 T324 L330 L344 G345K206-L219 HydrophobicContact CB-CB 4.37Å; K206-L219 HydrophobicContact CB-CD1 4.27Å; K206-L219 HydrophobicContact CD-CB 4.16Å; K206-L219 WeakPolarHBondContact CD-O 3.23Å; K206-L219 HydrophobicContact CG-CB 4.39Å; K206-L219 PolarHBondContact NZ-O 3.41Å; L217-L219 HydrophobicContact CB-CD1 4.03Å; L217-L219 HydrophobicContact CB-CG 3.95Å; L217-L219 HydrophobicContact CD1-CD1 3.88Å; L217-L219 PolarHBondContact O-N 3.46Å; L219-T324 HydrophobicContact CD2-CG2 3.8Å; L219-L330 HydrophobicContact CD2-CD1 3.98Å; L219-L330 HydrophobicContact CD2-CG 4.29Å; L219-L330 HydrophobicContact CG-CD1 4.17Å; L219-L344 HydrophobicContact CD1-CB 3.88Å; L219-L344 HydrophobicContact CD1-CD1 4.27Å; L219-G345 VanDerWaalsContact CD2-CA 3.45Å
220L94.4Very high92.5Very high18 Ų1840.6 Ų40.69%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-131.9149.8-177.3-61.292.7000109.3M272 C322 M323 P325 R390 I391 T394L220-M272 HydrophobicContact CB-CE 3.73Å; L220-M272 HydrophobicContact CD2-CE 3.43Å; L220-M272 VanDerWaalsContact CD2-CE 3.43Å; L220-M272 HydrophobicContact CG-CE 4.2Å; L220-C322 WeakPolarHBondContact O-CA 3.35Å; L220-M323 PolarHBondContact N-O 2.97Å; L220-M323 PolarHBondContact O-N 3.01Å; L220-P325 HydrophobicContact CD1-CG 4.26Å; L220-R390 HydrophobicContact CD1-CB 3.87Å; L220-R390 HydrophobicContact CD1-CG 4.47Å; L220-R390 HydrophobicContact CD2-CB 3.93Å; L220-R390 HydrophobicContact CG-CB 4.47Å; L220-I391 HydrophobicContact CD2-CB 4.5Å; L220-I391 HydrophobicContact CD2-CG1 3.91Å; L220-T394 HydrophobicContact CB-CG2 4.07Å; L220-T394 WeakPolarHBondContact CD1-OG1 3.38Å
221Y93.4Very high92.6Very high2 Ų239 Ų391%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-106.6124.1-176.5-56.2-77000109.9L203 K206 Q207 M272 L273 W276 L321 C322L203-Y221 HydrophobicContact CB-CE1 4.35Å; L203-Y221 HydrophobicContact CD2-CD1 4.2Å; L203-Y221 HydrophobicContact CD2-CE1 4.27Å; L203-Y221 WeakPolarHBondContact O-CE1 3.39Å; L203-Y221 PolarHBondContact O-OH 2.8Å; K206-Y221 WeakPolarHBondContact CB-OH 3.31Å; K206-Y221 HydrophobicContact CD-CE2 4.28Å; Q207-Y221 PolarHBondContact NE2-OH 2.79Å; Q207-Y221 PolarHBondContact OE1-OH 3.13Å; Y221-M272 CarbonylContact O-C 3.57Å; Y221-M272 VanDerWaalsContact O-CA 3.23Å; Y221-M272 WeakPolarHBondContact O-CA 3.3Å; Y221-L273 PolarHBondContact O-N 3.46Å; Y221-W276 HydrophobicContact CD1-CB 4.16Å; Y221-W276 HydrophobicContact CD1-CE3 4.37Å; Y221-W276 HydrophobicContact CD2-CB 4.15Å; Y221-W276 HydrophobicContact CE1-CB 3.6Å; Y221-W276 HydrophobicContact CE1-CG 4.1Å; Y221-W276 HydrophobicContact CE2-CB 3.61Å; Y221-W276 HydrophobicContact CG-CB 4.4Å; Y221-W276 WeakPolarHBondContact OH-CB 3.32Å; Y221-L321 CarbonylContact C-O 3.48Å; Y221-L321 VanDerWaalsContact CA-O 3.25Å; Y221-L321 WeakPolarHBondContact CA-O 3.24Å; Y221-C322 HydrophobicContact CD1-CB 4.06Å; Y221-C322 HydrophobicContact CE1-CB 4.02Å
222V92.4Very high92.8Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-120.2141.4179.5-176.70000109V270 R271 M272 L321 M323 T394 Y398V222-V270 HydrophobicContact CG1-CG1 3.72Å; V222-R271 WeakPolarHBondContact CA-O 3.22Å; V222-M272 HydrophobicContact CG2-CE 4.47Å; V222-M272 HydrophobicContact CG2-CG 4.44Å; V222-L321 PolarHBondContact N-O 3Å; V222-L321 PolarHBondContact O-N 3Å; V222-M323 HydrophobicContact CB-SD 4.49Å; V222-M323 HydrophobicContact CG2-CG 4.01Å; V222-M323 HydrophobicContact CG2-SD 3.77Å; V222-T394 HydrophobicContact CG2-CG2 3.58Å; V222-Y398 HydrophobicContact CB-CD2 4.29Å; V222-Y398 HydrophobicContact CG1-CD1 4.2Å; V222-Y398 HydrophobicContact CG1-CD2 3.53Å; V222-Y398 HydrophobicContact CG1-CE1 4.35Å; V222-Y398 HydrophobicContact CG1-CE2 3.68Å; V222-Y398 HydrophobicContact CG1-CG 3.79Å
223L91Very high92.9Very high3 Ų337.8 Ų37.82%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-90.4116.7175.5-57.5-174.4000110.1R271 L273 L287 E319 A320L223-R271 HydrophobicContact CB-CB 4.14Å; L223-R271 HydrophobicContact CD1-CB 4.14Å; L223-R271 HydrophobicContact CG-CB 4.3Å; L223-R271 PolarHBondContact N-O 3.1Å; L223-L273 HydrophobicContact CD1-CD2 4.19Å; L223-L273 HydrophobicContact CD2-CD1 3.9Å; L223-L273 HydrophobicContact CD2-CD2 4.1Å; L223-L273 HydrophobicContact CD2-CG 3.94Å; L223-L273 HydrophobicContact CG-CD2 4.3Å; L223-L273 HydrophobicContact CG-CG 4.39Å; L223-L287 HydrophobicContact CD2-CD1 3.48Å; L223-L287 VanDerWaalsContact CD2-CD1 3.48Å; L223-E319 CarbonylContact C-O 3.52Å; L223-E319 WeakPolarHBondContact CA-O 3.26Å; L223-A320 HydrophobicContact CD2-CB 4.31Å
224H91.6Very high92.9Very high4 Ų440 Ų402%0.01920%0.203CC..EExtended strand (participates in β ladder)trans-100.8145.4172.4-173.254000110.3H226 Y251 A263 F264 S318 E319 L321 Y398H224-H226 AromaticContact CD2-CE1 3.25Å; H224-H226 PolarHBondContact CD2-CE1 3.29Å; H224-H226 AromaticContact CD2-NE2 3.47Å; H224-H226 PolarHBondContact CD2-NE2 3.21Å; H224-H226 AromaticContact NE2-CE1 3.57Å; H224-Y251 AromaticContact NE2-CE1 3.58Å; H224-Y251 AromaticContact NE2-CZ 3.59Å; H224-Y251 PolarHBondContact NE2-OH 2.93Å; H224-A263 PolarHBondContact CE1-O 2.92Å; H224-A263 PolarHBondContact ND1-O 3.14Å; H224-F264 AromaticContact CE1-CE1 3.96Å; H224-F264 AromaticContact CE1-CZ 3.91Å; H224-S318 CarbonylContact O-C 3.56Å; H224-S318 WeakPolarHBondContact O-CA 3.48Å; H224-E319 PolarHBondContact N-O 3.25Å; H224-E319 PolarHBondContact O-N 3.36Å; H224-L321 HydrophobicContact CB-CD1 3.64Å; H224-L321 HydrophobicContact CB-CG 3.89Å; H224-Y398 HydrophobicContact CB-CE2 4.27Å; H224-Y398 AromaticContact ND1-CE2 3.96Å; H224-Y398 AromaticContact ND1-CZ 3.85Å; H224-Y398 PolarHBondContact ND1-OH 2.81Å
225Q90.5Very high92.9Very high2 Ų231.4 Ų31.41%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-123.9139.4-169.3-55-163.672.700112.6G262 N290 I294 W317Q225-G262 WeakPolarHBondContact O-CA 3.09Å; Q225-N290 PolarHBondContact NE2-O 2.87Å; Q225-N290 PolarHBondContact OE1-O 3.13Å; Q225-I294 HydrophobicContact CB-CD1 4.19Å; Q225-W317 WeakPolarHBondContact CA-O 3.49Å
226H91Very high93Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-129154.1177.7-43.3-94.3000111.2H224 Y251 I260 F261 N316 W317 E319H224-H226 AromaticContact CD2-CE1 3.25Å; H224-H226 PolarHBondContact CD2-CE1 3.29Å; H224-H226 AromaticContact CD2-NE2 3.47Å; H224-H226 PolarHBondContact CD2-NE2 3.21Å; H224-H226 AromaticContact NE2-CE1 3.57Å; H226-Y251 PolarHBondContact CE1-OH 2.98Å; H226-Y251 PolarHBondContact ND1-OH 2.65Å; H226-I260 HydrophobicContact CB-CG2 4.49Å; H226-F261 CarbonylContact C-O 3.53Å; H226-F261 VanDerWaalsContact CA-O 3.25Å; H226-F261 WeakPolarHBondContact CA-O 3.25Å; H226-N316 VanDerWaalsContact O-CA 3.23Å; H226-N316 WeakPolarHBondContact O-CA 3.39Å; H226-N316 WeakPolarHBondContact O-CB 3.18Å; H226-W317 HydrophobicContact CB-CD2 3.81Å; H226-W317 VanDerWaalsContact CB-CE2 3.46Å; H226-W317 HydrophobicContact CB-CE3 3.97Å; H226-W317 HydrophobicContact CB-CH2 3.47Å; H226-W317 VanDerWaalsContact CB-CH2 3.47Å; H226-W317 HydrophobicContact CB-CZ2 3.32Å; H226-W317 HydrophobicContact CB-CZ3 3.79Å; H226-W317 AromaticContact CD2-CD1 3.71Å; H226-W317 AromaticContact CD2-CE2 3.52Å; H226-W317 AromaticContact CD2-CZ2 3.92Å; H226-W317 AromaticContact CD2-NE1 3.16Å; H226-W317 PolarHBondContact CD2-NE1 3.46Å; H226-W317 AromaticContact CG-CE2 3.64Å; H226-W317 AromaticContact CG-CZ2 3.6Å; H226-W317 AromaticContact CG-NE1 3.78Å; H226-W317 PolarHBondContact N-O 3.42Å; H226-W317 AromaticContact NE2-NE1 3.93Å; H226-W317 PolarHBondContact O-N 2.74Å; H226-E319 IonicContact NE2-OE2 2.94Å
227L92.2Very high92.7Very high4 Ų436.4 Ų36.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-124.6140.3173.5-50.8175.7000108.3I260 F261 F291 I294 Y298 V313 N316L227-I260 CarbonylContact O-C 3.57Å; L227-I260 WeakPolarHBondContact O-CA 3.37Å; L227-F261 HydrophobicContact CB-CB 4.32Å; L227-F261 HydrophobicContact CB-CD1 4.33Å; L227-F261 HydrophobicContact CD1-CD1 3.66Å; L227-F261 HydrophobicContact CD1-CE1 4.13Å; L227-F261 HydrophobicContact CG-CD1 4.01Å; L227-F261 PolarHBondContact N-O 2.8Å; L227-F261 PolarHBondContact O-N 2.86Å; L227-F291 HydrophobicContact CD1-CD2 3.74Å; L227-F291 HydrophobicContact CD1-CE2 3.48Å; L227-F291 VanDerWaalsContact CD1-CE2 3.48Å; L227-F291 HydrophobicContact CD2-CD2 3.85Å; L227-F291 HydrophobicContact CD2-CE2 4.39Å; L227-F291 HydrophobicContact CG-CD2 4.45Å; L227-I294 HydrophobicContact CD1-CD1 3.98Å; L227-I294 HydrophobicContact CD2-CD1 4.08Å; L227-I294 HydrophobicContact CG-CD1 3.96Å; L227-Y298 HydrophobicContact CD1-CD2 3.55Å; L227-Y298 HydrophobicContact CD1-CE2 4Å; L227-Y298 HydrophobicContact CD1-CG 4.16Å; L227-V313 HydrophobicContact CB-CG1 4.43Å; L227-V313 HydrophobicContact CD2-CG1 4.48Å; L227-N316 HydrophobicContact CD2-CB 3.34Å
228K93.1Very high92.4Very high59 Ų5939.4 Ų39.426%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-114.8131.1170.7-176.9170.5-58.6-157.70109.1D255 R258 L259 I260 E314 G315 W317K228-D255 WeakPolarHBondContact CE-OD2 3.45Å; K228-D255 IonicContact NZ-OD2 2.76Å; K228-D255 PolarHBondContact NZ-OD2 3.21Å; K228-R258 HydrophobicContact CG-CB 4.4Å; K228-L259 WeakPolarHBondContact CA-O 3.41Å; K228-I260 HydrophobicContact CB-CG1 4.47Å; K228-I260 HydrophobicContact CG-CG1 4.38Å; K228-E314 PolarHBondContact O-N 2.99Å; K228-G315 PolarHBondContact N-O 3.34Å; K228-G315 PolarHBondContact O-N 2.71Å; K228-W317 HydrophobicContact CB-CH2 4.44Å; K228-W317 HydrophobicContact CB-CZ3 3.84Å
229T95.9Very high92.1Very high3 Ų343.3 Ų43.32%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-77.6164.117670.80000111.2R258 L259 L308 M311 G312T229-R258 WeakPolarHBondContact O-CD 3.26Å; T229-R258 WeakPolarHBondContact O-CG 3.42Å; T229-L259 HydrophobicContact CG2-CB 3.89Å; T229-L259 PolarHBondContact N-O 2.88Å; T229-L259 PolarHBondContact OG1-N 3.03Å; T229-L308 HydrophobicContact CG2-CD1 3.62Å; T229-M311 HydrophobicContact CG2-CB 4.34Å; T229-G312 CarbonylContact C-O 3.6Å; T229-G312 WeakPolarHBondContact CA-O 3.32Å; T229-G312 WeakPolarHBondContact CB-O 3.44Å
230R96.2Very high92.1Very high155 Ų15543.9 Ų43.959%0.58525%0.246SC*.PPolyproline II helixtrans-65.6161.4162.3-57.9175.7179.6159.70.2110.2M311 G312 E314R230-M311 WeakPolarHBondContact CB-O 2.95Å; R230-G312 PolarHBondContact N-O 3.2Å; R230-E314 HydrophobicContact CG-CB 3.87Å
231S95.1Very high92.2Very high70 Ų7043.2 Ų43.249%0.4924%0.243SC..PPolyproline II helixtrans-61139.6174.9-176.90000111.2T257S231-T257 CarbonylContact C-O 3.54Å; S231-T257 WeakPolarHBondContact CA-O 3.38Å; S231-T257 WeakPolarHBondContact OG-CB 3.4Å; S231-T257 PolarHBondContact OG-OG1 3.46Å
232S94.9Very high92.3Very high18 Ų1843.2 Ų43.213%0.12624%0.243CC..  trans-132134.8177.4-177.10000111.6L234 L235 T257S232-L234 PolarHBondContact O-N 3.33Å; S232-L234 PolarHBondContact OG-N 3.23Å; S232-L235 PolarHBondContact O-N 3.07Å; S232-L235 VanDerWaalsContact O-N 3.16Å; S232-T257 PolarHBondContact N-O 3.1Å
233A94.1Very high92.6Very high78 Ų7843.4 Ų43.465%0.64524%0.243SC*.G310 helixtrans-65.1-18.7175.600000113L235 N236A233-L235 PolarHBondContact O-N 2.93Å; A233-N236 WeakPolarHBondContact O-CB 3.35Å; A233-N236 PolarHBondContact O-N 3.38Å
234L91.9Very high92.8Very high89 Ų8943.4 Ų43.447%0.46624%0.244SC..G310 helixtrans-63.7-17.4174.7-61.8176.6000113.1L128 S232 P307 M311L128-L234 HydrophobicContact CD1-CB 4.29Å; L128-L234 HydrophobicContact CD2-CD1 4.48Å; S232-L234 PolarHBondContact O-N 3.33Å; S232-L234 PolarHBondContact OG-N 3.23Å; L234-P307 HydrophobicContact CD1-CB 3.87Å; L234-P307 HydrophobicContact CD1-CG 4.4Å; L234-M311 HydrophobicContact CB-CE 4.42Å; L234-M311 HydrophobicContact CD1-CE 4.21Å
235L92.8Very high92.9Very high2 Ų244 Ų441%0.0125%0.246CC..G310 helixtrans-106.75.7-176.9-57.8175.3000112.6L128 S232 A233 L240 Q254 L259 M311L128-L235 HydrophobicContact CD1-CD2 4.21Å; S232-L235 PolarHBondContact O-N 3.07Å; S232-L235 VanDerWaalsContact O-N 3.16Å; A233-L235 PolarHBondContact O-N 2.93Å; L235-L240 HydrophobicContact CD2-CD1 3.61Å; L235-Q254 PolarHBondContact O-NE2 3.5Å; L235-L259 HydrophobicContact CD1-CD2 3.72Å; L235-L259 HydrophobicContact CD1-CG 3.71Å; L235-L259 HydrophobicContact CD2-CD2 4.12Å; L235-M311 HydrophobicContact CD1-CE 4.01Å; L235-M311 HydrophobicContact CD1-SD 4.19Å; L235-M311 HydrophobicContact CD2-CE 4.47Å; L235-M311 HydrophobicContact CG-CE 4.13Å
236N89.9Confident92.9Very high79 Ų7944.1 Ų44.142%0.42225%0.247SC..THydrogen-bonded Turntrans-69.4132.4175.7-69.5-11.1000110A233 V238 T257A233-N236 WeakPolarHBondContact O-CB 3.35Å; A233-N236 PolarHBondContact O-N 3.38Å; N236-V238 PolarHBondContact O-N 3.44Å; N236-T257 WeakPolarHBondContact OD1-CG2 3.36Å
237D83.8Confident92.8Very high179 Ų17947.3 Ų47.396%0.95727%0.267SS*.THydrogen-bonded Turntrans55.722.2173-52.2-42.2000115.6
238V87.3Confident92.8Very high62 Ų6247.9 Ų47.938%0.37627%0.274SS..  trans-113.9144.8172.1-63.80000110.3N236 L240 Q254N236-V238 PolarHBondContact O-N 3.44Å; V238-L240 HydrophobicContact CB-CD2 4.46Å; V238-L240 HydrophobicContact CB-CG 4.46Å; V238-L240 HydrophobicContact CG2-CD1 4.31Å; V238-L240 HydrophobicContact CG2-CD2 4.44Å; V238-L240 HydrophobicContact CG2-CG 4.08Å; V238-Q254 PolarHBondContact O-NE2 3.49Å; V238-Q254 PolarHBondContact O-OE1 2.66Å; V238-Q254 VanDerWaalsContact O-OE1 3.12Å
239S88.3Confident92.8Very high83 Ų8345.8 Ų45.858%0.5827%0.266SS*.  trans-116.3107.3170.2-178.30000107.9
240L94.5Very high92.8Very high11 Ų1145.8 Ų45.86%0.05827%0.266CS..PPolyproline II helixtrans-100.5134-174.1-60.9175.1000111.1W126 L235 V238W126-L240 HydrophobicContact CD2-CB 4.21Å; W126-L240 HydrophobicContact CD2-CD1 4.27Å; W126-L240 HydrophobicContact CD2-CD2 4.49Å; W126-L240 HydrophobicContact CE3-CB 3.49Å; W126-L240 VanDerWaalsContact CE3-CB 3.49Å; W126-L240 HydrophobicContact CE3-CD1 4.31Å; W126-L240 HydrophobicContact CE3-CD2 4.47Å; W126-L240 HydrophobicContact CE3-CG 4.31Å; W126-L240 HydrophobicContact CH2-CB 3.89Å; W126-L240 HydrophobicContact CH2-CD1 3.99Å; W126-L240 HydrophobicContact CZ2-CD1 3.97Å; W126-L240 HydrophobicContact CZ3-CB 3.27Å; W126-L240 HydrophobicContact CZ3-CD1 4.13Å; W126-L240 HydrophobicContact CZ3-CG 4.28Å; L235-L240 HydrophobicContact CD2-CD1 3.61Å; V238-L240 HydrophobicContact CB-CD2 4.46Å; V238-L240 HydrophobicContact CB-CG 4.46Å; V238-L240 HydrophobicContact CG2-CD1 4.31Å; V238-L240 HydrophobicContact CG2-CD2 4.44Å; V238-L240 HydrophobicContact CG2-CG 4.08Å
241P95.9Very high92.8Very high5 Ų538.5 Ų38.53%0.03224%0.239CC..PPolyproline II helixtrans-64139.2176.1-1930.1000112.1C88 G89 L91 K125 W126 Y139 I243C88-P241 WeakPolarHBondContact O-CB 3.32Å; C88-P241 WeakPolarHBondContact O-CG 3.39Å; G89-P241 CarbonylContact O-C 3.59Å; G89-P241 WeakPolarHBondContact O-CA 3.33Å; G89-P241 WeakPolarHBondContact O-CB 3.42Å; L91-P241 HydrophobicContact CD1-CB 4.19Å; L91-P241 HydrophobicContact CD1-CG 4.23Å; L91-P241 HydrophobicContact CG-CB 4.14Å; K125-P241 HydrophobicContact CB-CG 4.31Å; W126-P241 WeakPolarHBondContact CZ3-O 3.33Å; Y139-P241 HydrophobicContact CE2-CB 4.13Å; Y139-P241 HydrophobicContact CE2-CG 4.14Å; P241-I243 PolarHBondContact O-N 2.9Å
242V97.1Very high92.8Very high1 Ų135.2 Ų35.21%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-49.4134.8176.61750000111.1L50 G89 T90 L91 F145 E244 R253L50-V242 HydrophobicContact CD2-CB 4.35Å; L50-V242 HydrophobicContact CD2-CG1 3.51Å; L50-V242 HydrophobicContact CD2-CG2 3.87Å; G89-V242 PolarHBondContact O-N 3.1Å; T90-V242 CarbonylContact C-O 3.59Å; T90-V242 WeakPolarHBondContact CA-O 3.4Å; T90-V242 HydrophobicContact CG2-CB 4.06Å; T90-V242 HydrophobicContact CG2-CG1 4.12Å; L91-V242 PolarHBondContact N-O 3.46Å; F145-V242 HydrophobicContact CD1-CG2 4.11Å; V242-E244 HydrophobicContact CG1-CG 4.42Å; V242-R253 HydrophobicContact CG1-CB 4.49Å; V242-R253 HydrophobicContact CG2-CB 3.95Å
243I96.7Very high92.8Very high4 Ų435.5 Ų35.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-92.4132.4168.8-70.9172.7000109L91 L93 W126 V129 P241 Y251 I252L91-I243 WeakPolarHBondContact O-CA 3.23Å; L93-I243 HydrophobicContact CD1-CD1 4.43Å; L93-I243 HydrophobicContact CD1-CG1 4.41Å; L93-I243 HydrophobicContact CD1-CG2 3.62Å; L93-I243 HydrophobicContact CG-CG2 4.14Å; W126-I243 HydrophobicContact CD2-CD1 3.52Å; W126-I243 HydrophobicContact CD2-CG1 3.97Å; W126-I243 HydrophobicContact CE3-CD1 3.89Å; W126-I243 HydrophobicContact CE3-CG1 3.82Å; W126-I243 HydrophobicContact CG-CD1 4.02Å; W126-I243 HydrophobicContact CH2-CD1 4.06Å; W126-I243 HydrophobicContact CH2-CG1 4.27Å; W126-I243 HydrophobicContact CZ2-CD1 3.66Å; W126-I243 HydrophobicContact CZ2-CG1 4.36Å; W126-I243 HydrophobicContact CZ3-CD1 4.17Å; W126-I243 HydrophobicContact CZ3-CG1 4.01Å; V129-I243 HydrophobicContact CG2-CD1 3.55Å; P241-I243 PolarHBondContact O-N 2.9Å; I243-Y251 CarbonylContact O-C 3.58Å; I243-Y251 WeakPolarHBondContact O-CA 3.19Å; I243-Y251 VanDerWaalsContact O-CB 3.32Å; I243-Y251 WeakPolarHBondContact O-CB 3.27Å; I243-I252 HydrophobicContact CB-CB 4.22Å; I243-I252 PolarHBondContact N-O 3.21Å; I243-I252 PolarHBondContact O-N 3.34Å
244E95.6Very high92.8Very high4 Ų432.5 Ų32.52%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-119.7132.7161.1-63.3-172.2125.700108.7T90 L91 R92 L93 V242 Y402T90-E244 HydrophobicContact CG2-CG 3.83Å; L91-E244 PolarHBondContact O-N 2.92Å; R92-E244 CarbonylContact C-O 3.59Å; R92-E244 WeakPolarHBondContact CA-O 3.43Å; R92-E244 HydrophobicContact CB-CB 4.35Å; R92-E244 HydrophobicContact CG-CB 3.98Å; R92-E244 IonicContact CZ-OE2 2.85Å; R92-E244 VanDerWaalsContact NH1-CD 3.27Å; R92-E244 IonicContact NH1-OE1 2.78Å; R92-E244 PolarHBondContact NH1-OE1 3.18Å; R92-E244 IonicContact NH1-OE2 3.15Å; R92-E244 PolarHBondContact NH1-OE2 3.42Å; L93-E244 PolarHBondContact N-O 3.46Å; V242-E244 HydrophobicContact CG1-CG 4.42Å; E244-Y402 HydrophobicContact CB-CE1 4.28Å; E244-Y402 HydrophobicContact CG-CE1 4.28Å; E244-Y402 WeakPolarHBondContact OE1-CE1 3.34Å; E244-Y402 PolarHBondContact OE1-OH 2.89Å
245H94.3Very high92.7Very high16 Ų1630.7 Ų30.77%0.07418%0.177CC..EExtended strand (participates in β ladder)trans-121.394.2178.3-173.4-139.3000110.6L93 T95 T247 G248 S249 Y250L93-H245 PolarHBondContact O-CD2 3.11Å; T95-H245 WeakPolarHBondContact CG2-NE2 3.46Å; T95-H245 PolarHBondContact OG1-NE2 3.08Å; H245-T247 PolarHBondContact CE1-OG1 3.41Å; H245-T247 VanDerWaalsContact CE1-OG1 3.31Å; H245-T247 PolarHBondContact NE2-OG1 3.43Å; H245-T247 PolarHBondContact O-N 3.07Å; H245-G248 WeakPolarHBondContact ND1-CA 3.41Å; H245-G248 PolarHBondContact ND1-N 2.84Å; H245-G248 CarbonylContact O-C 3.56Å; H245-G248 PolarHBondContact O-N 3.44Å; H245-G248 VanDerWaalsContact O-N 3.14Å; H245-S249 PolarHBondContact O-N 3.49Å; H245-Y250 HydrophobicContact CB-CD1 4.33Å; H245-Y250 HydrophobicContact CB-CD2 4.07Å; H245-Y250 HydrophobicContact CB-CE1 3.87Å; H245-Y250 HydrophobicContact CB-CE2 3.56Å; H245-Y250 HydrophobicContact CB-CG 4.41Å; H245-Y250 VanDerWaalsContact CB-CZ 3.44Å; H245-Y250 AromaticContact CG-CE1 3.94Å; H245-Y250 AromaticContact CG-CZ 3.7Å; H245-Y250 PolarHBondContact N-O 3.32Å; H245-Y250 AromaticContact ND1-CE1 3.22Å; H245-Y250 WeakPolarHBondContact ND1-CE1 3.23Å; H245-Y250 AromaticContact ND1-CZ 3.31Å; H245-Y250 VanDerWaalsContact ND1-CZ 3.31Å; H245-Y250 PolarHBondContact ND1-OH 3.23Å; H245-Y250 VanDerWaalsContact ND1-OH 3.15Å; H245-Y250 PolarHBondContact O-N 3.21Å
246P91.2Very high92.5Very high4 Ų433.1 Ų33.13%0.02620%0.203CC..G310 helixtrans-59-45.3-170.1-30.738.9000114.3R92 L93 F103 G248 S249R92-P246 HydrophobicContact CG-CG 3.61Å; L93-P246 VanDerWaalsContact O-CD 3.23Å; L93-P246 WeakPolarHBondContact O-CD 3.28Å; F103-P246 HydrophobicContact CE1-CG 4.45Å; F103-P246 HydrophobicContact CZ-CG 4.29Å; P246-G248 VanDerWaalsContact C-N 3.32Å; P246-G248 PolarHBondContact O-N 3.36Å; P246-S249 PolarHBondContact O-N 2.89Å
247T88.8Confident92.7Very high67 Ų6731.3 Ų31.341%0.41120%0.195SC..G310 helixtrans-72-26.8-179.257.10000113.1T95 T96 C99 H245 S249T95-T247 PolarHBondContact OG1-OG1 3.39Å; T96-T247 HydrophobicContact CG2-CG2 4.01Å; C99-T247 HydrophobicContact CB-CG2 4.45Å; H245-T247 PolarHBondContact CE1-OG1 3.41Å; H245-T247 VanDerWaalsContact CE1-OG1 3.31Å; H245-T247 PolarHBondContact NE2-OG1 3.43Å; H245-T247 PolarHBondContact O-N 3.07Å; T247-S249 VanDerWaalsContact C-N 3.34Å
248G91.6Very high93.2Very high17 Ų1726.6 Ų26.618%0.17516%0.164CC..G310 helixtrans-84.9-11.3174.200000113H245 P246 Y250 Q297H245-G248 WeakPolarHBondContact ND1-CA 3.41Å; H245-G248 PolarHBondContact ND1-N 2.84Å; H245-G248 CarbonylContact O-C 3.56Å; H245-G248 PolarHBondContact O-N 3.44Å; H245-G248 VanDerWaalsContact O-N 3.14Å; P246-G248 VanDerWaalsContact C-N 3.32Å; P246-G248 PolarHBondContact O-N 3.36Å; G248-Y250 WeakPolarHBondContact O-CD1 3.26Å; G248-Q297 WeakPolarHBondContact O-CG 3.27Å
249S93.8Very high93.6Very high14 Ų1423.6 Ų23.610%0.09815%0.146CC..THydrogen-bonded Turntrans57.744.8-178.8-152.60000113.9H245 P246 T247 A263 F264H245-S249 PolarHBondContact O-N 3.49Å; P246-S249 PolarHBondContact O-N 2.89Å; T247-S249 VanDerWaalsContact C-N 3.34Å; S249-A263 WeakPolarHBondContact O-CA 3.35Å; S249-F264 PolarHBondContact O-N 3.47Å; S249-F264 WeakPolarHBondContact OG-CB 3.47Å; S249-F264 PolarHBondContact OG-O 3.15Å
250Y94.9Very high93.9Very high3 Ų319.8 Ų19.81%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-147.7166.7178.767.6-102.9000113.5H245 G248 I252 F261 G262 Q297 A301 L304 Y402H245-Y250 HydrophobicContact CB-CD1 4.33Å; H245-Y250 HydrophobicContact CB-CD2 4.07Å; H245-Y250 HydrophobicContact CB-CE1 3.87Å; H245-Y250 HydrophobicContact CB-CE2 3.56Å; H245-Y250 HydrophobicContact CB-CG 4.41Å; H245-Y250 VanDerWaalsContact CB-CZ 3.44Å; H245-Y250 AromaticContact CG-CE1 3.94Å; H245-Y250 AromaticContact CG-CZ 3.7Å; H245-Y250 PolarHBondContact N-O 3.32Å; H245-Y250 AromaticContact ND1-CE1 3.22Å; H245-Y250 WeakPolarHBondContact ND1-CE1 3.23Å; H245-Y250 AromaticContact ND1-CZ 3.31Å; H245-Y250 VanDerWaalsContact ND1-CZ 3.31Å; H245-Y250 PolarHBondContact ND1-OH 3.23Å; H245-Y250 VanDerWaalsContact ND1-OH 3.15Å; H245-Y250 PolarHBondContact O-N 3.21Å; G248-Y250 WeakPolarHBondContact O-CD1 3.26Å; Y250-I252 HydrophobicContact CD2-CD1 4.47Å; Y250-I252 HydrophobicContact CD2-CG1 4.2Å; Y250-I252 HydrophobicContact CE2-CD1 4.14Å; Y250-I252 HydrophobicContact CE2-CG1 4.31Å; Y250-F261 HydrophobicContact CD1-CE2 4.21Å; Y250-F261 HydrophobicContact CD2-CD2 4.28Å; Y250-F261 AromaticContact CD2-CE2 3.71Å; Y250-F261 HydrophobicContact CD2-CE2 3.71Å; Y250-F261 HydrophobicContact CG-CD2 4.5Å; Y250-F261 AromaticContact CG-CE2 3.55Å; Y250-F261 HydrophobicContact CG-CE2 3.55Å; Y250-F261 HydrophobicContact CG-CZ 4.09Å; Y250-G262 CarbonylContact C-O 3.58Å; Y250-G262 VanDerWaalsContact CA-O 3.23Å; Y250-G262 WeakPolarHBondContact CA-O 3.47Å; Y250-G262 VanDerWaalsContact CB-O 3.3Å; Y250-G262 WeakPolarHBondContact CB-O 3.36Å; Y250-Q297 HydrophobicContact CD1-CB 4.4Å; Y250-A301 HydrophobicContact CD1-CB 4.22Å; Y250-A301 HydrophobicContact CD2-CB 4.13Å; Y250-A301 HydrophobicContact CE1-CB 3.84Å; Y250-A301 HydrophobicContact CE2-CB 3.75Å; Y250-A301 HydrophobicContact CG-CB 4.37Å; Y250-L304 VanDerWaalsContact OH-CD2 3.32Å; Y250-L304 WeakPolarHBondContact OH-CD2 3.46Å; Y250-Y402 WeakPolarHBondContact O-CE2 3.49Å
251Y95.9Very high93.9Very high3 Ų319.3 Ų19.31%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-133.4159.1169.957.1-99.6000112.1D48 L50 H224 H226 I243 F261 G262 F264 Y402D48-Y251 HydrophobicContact CB-CE2 4.24Å; D48-Y251 VanDerWaalsContact OD2-CZ 3.26Å; D48-Y251 PolarHBondContact OD2-OH 3.47Å; L50-Y251 HydrophobicContact CD1-CD1 3.79Å; L50-Y251 HydrophobicContact CD1-CD2 3.45Å; L50-Y251 VanDerWaalsContact CD1-CD2 3.45Å; L50-Y251 HydrophobicContact CD1-CE1 4.05Å; L50-Y251 HydrophobicContact CD1-CE2 3.71Å; L50-Y251 HydrophobicContact CD1-CG 3.48Å; L50-Y251 VanDerWaalsContact CD1-CG 3.48Å; L50-Y251 HydrophobicContact CG-CD2 4.33Å; L50-Y251 HydrophobicContact CG-CE2 4.41Å; H224-Y251 AromaticContact NE2-CE1 3.58Å; H224-Y251 AromaticContact NE2-CZ 3.59Å; H224-Y251 PolarHBondContact NE2-OH 2.93Å; H226-Y251 PolarHBondContact CE1-OH 2.98Å; H226-Y251 PolarHBondContact ND1-OH 2.65Å; I243-Y251 CarbonylContact O-C 3.58Å; I243-Y251 WeakPolarHBondContact O-CA 3.19Å; I243-Y251 VanDerWaalsContact O-CB 3.32Å; I243-Y251 WeakPolarHBondContact O-CB 3.27Å; Y251-F261 WeakPolarHBondContact O-CA 3.46Å; Y251-G262 VanDerWaalsContact CZ-CA 3.48Å; Y251-G262 PolarHBondContact N-O 3.04Å; Y251-G262 PolarHBondContact O-N 3.18Å; Y251-G262 VanDerWaalsContact O-N 3.11Å; Y251-F264 HydrophobicContact CD1-CE2 4.22Å; Y251-F264 HydrophobicContact CE1-CE2 4.09Å; Y251-Y402 WeakPolarHBondContact CB-OH 3.41Å; Y251-Y402 HydrophobicContact CD1-CE2 4Å; Y251-Y402 WeakPolarHBondContact CD1-OH 3.26Å
252I96.1Very high93.9Very high1 Ų119.1 Ų19.11%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-137.3132.3175.6-55176.4000109W126 I243 Y250 L259 I260 F261 A301 L305 L308W126-I252 HydrophobicContact CH2-CG2 4.33Å; W126-I252 HydrophobicContact CZ2-CG2 4.45Å; I243-I252 HydrophobicContact CB-CB 4.22Å; I243-I252 PolarHBondContact N-O 3.21Å; I243-I252 PolarHBondContact O-N 3.34Å; Y250-I252 HydrophobicContact CD2-CD1 4.47Å; Y250-I252 HydrophobicContact CD2-CG1 4.2Å; Y250-I252 HydrophobicContact CE2-CD1 4.14Å; Y250-I252 HydrophobicContact CE2-CG1 4.31Å; I252-L259 HydrophobicContact CG2-CB 4.1Å; I252-L259 HydrophobicContact CG2-CD1 4.14Å; I252-L259 HydrophobicContact CG2-CD2 4.19Å; I252-L259 HydrophobicContact CG2-CG 4.36Å; I252-I260 CarbonylContact C-O 3.51Å; I252-I260 VanDerWaalsContact CA-O 3.29Å; I252-I260 WeakPolarHBondContact CA-O 3.21Å; I252-F261 HydrophobicContact CD1-CD2 4.34Å; I252-F261 HydrophobicContact CG1-CD2 3.92Å; I252-A301 HydrophobicContact CD1-CB 4.38Å; I252-L305 HydrophobicContact CD1-CD2 3.76Å; I252-L308 HydrophobicContact CD1-CD2 4.21Å
253R94.8Very high93.7Very high24 Ų2419 Ų199%0.09112%0.115CC..EExtended strand (participates in β ladder)trans-132.5161168.370.4163.2-175.286.1-7.8112D48 L50 V242 D255 L259 I260D48-R253 PolarHBondContact O-NE 2.82Å; D48-R253 PolarHBondContact O-NH2 2.97Å; L50-R253 HydrophobicContact CD2-CB 4.21Å; L50-R253 HydrophobicContact CD2-CG 4.38Å; V242-R253 HydrophobicContact CG1-CB 4.49Å; V242-R253 HydrophobicContact CG2-CB 3.95Å; R253-D255 IonicContact NH1-OD1 3.86Å; R253-L259 CarbonylContact O-C 3.56Å; R253-L259 WeakPolarHBondContact O-CA 3.44Å; R253-I260 HydrophobicContact CG-CB 4.14Å; R253-I260 PolarHBondContact N-O 3.19Å; R253-I260 PolarHBondContact O-N 3.36Å
254Q93.1Very high93.6Very high14 Ų1419.4 Ų19.47%0.06512%0.116CC..EExtended strand (participates in β ladder)trans-79142.8173.1-168174.81.600111L235 V238 G256L235-Q254 PolarHBondContact O-NE2 3.5Å; V238-Q254 PolarHBondContact O-NE2 3.49Å; V238-Q254 PolarHBondContact O-OE1 2.66Å; V238-Q254 VanDerWaalsContact O-OE1 3.12Å; Q254-G256 WeakPolarHBondContact CG-O 3.45Å; Q254-G256 PolarHBondContact NE2-O 2.99Å
255D89.9Confident93.3Very high51 Ų5119.3 Ų19.327%0.27312%0.116SC..EExtended strand (participates in β ladder)trans-133.483.6171-173.432.3000108.7K228 R253 T257 R258 I260K228-D255 WeakPolarHBondContact CE-OD2 3.45Å; K228-D255 IonicContact NZ-OD2 2.76Å; K228-D255 PolarHBondContact NZ-OD2 3.21Å; R253-D255 IonicContact NH1-OD1 3.86Å; D255-T257 PolarHBondContact O-N 3.41Å; D255-T257 VanDerWaalsContact O-N 3.16Å; D255-R258 PolarHBondContact N-O 3.29Å; D255-R258 WeakPolarHBondContact O-CB 3.47Å; D255-R258 PolarHBondContact O-N 3.39Å; D255-I260 HydrophobicContact CB-CD1 3.73Å; D255-I260 HydrophobicContact CB-CG1 4Å
256G89.2Confident93.1Very high54 Ų5423.4 Ų23.456%0.55713%0.133SC*.THydrogen-bonded Turntrans59.9-115.9-168.700000111.1Q254 R258Q254-G256 WeakPolarHBondContact CG-O 3.45Å; Q254-G256 PolarHBondContact NE2-O 2.99Å; G256-R258 VanDerWaalsContact C-N 3.33Å
257T93.8Very high93.1Very high41 Ų4126.9 Ų26.925%0.25215%0.149SC..THydrogen-bonded Turntrans-94.414.8178.457.80000113.1S231 S232 N236 D255S231-T257 CarbonylContact C-O 3.54Å; S231-T257 WeakPolarHBondContact CA-O 3.38Å; S231-T257 WeakPolarHBondContact OG-CB 3.4Å; S231-T257 PolarHBondContact OG-OG1 3.46Å; S232-T257 PolarHBondContact N-O 3.1Å; N236-T257 WeakPolarHBondContact OD1-CG2 3.36Å; D255-T257 PolarHBondContact O-N 3.41Å; D255-T257 VanDerWaalsContact O-N 3.16Å
258R94.3Very high93.2Very high79 Ų7930.7 Ų30.730%0.29817%0.167SC..EExtended strand (participates in β ladder)trans-121.3167.5179.5-59.7174.6170.5104.7-12.4110.6K228 T229 D255 G256 E314K228-R258 HydrophobicContact CG-CB 4.4Å; T229-R258 WeakPolarHBondContact O-CD 3.26Å; T229-R258 WeakPolarHBondContact O-CG 3.42Å; D255-R258 PolarHBondContact N-O 3.29Å; D255-R258 WeakPolarHBondContact O-CB 3.47Å; D255-R258 PolarHBondContact O-N 3.39Å; G256-R258 VanDerWaalsContact C-N 3.33Å; R258-E314 IonicContact CZ-OE1 2.77Å; R258-E314 IonicContact CZ-OE2 3.08Å; R258-E314 IonicContact NE-OE1 3Å; R258-E314 IonicContact NE-OE2 2.58Å; R258-E314 PolarHBondContact NE-OE2 3.11Å; R258-E314 IonicContact NH2-OE1 3.68Å; R258-E314 PolarHBondContact NH2-OE1 3.2Å; R258-E314 IonicContact NH2-OE2 3.87Å; R258-E314 PolarHBondContact NH2-OE2 3.19Å
259L95.3Very high93.2Very high0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-111.4145166.8-59176.1000110.3W126 K228 T229 L235 I252 R253 L305 L308 M311W126-L259 HydrophobicContact CH2-CD2 4.37Å; W126-L259 HydrophobicContact CZ2-CD2 4.45Å; K228-L259 WeakPolarHBondContact CA-O 3.41Å; T229-L259 HydrophobicContact CG2-CB 3.89Å; T229-L259 PolarHBondContact N-O 2.88Å; T229-L259 PolarHBondContact OG1-N 3.03Å; L235-L259 HydrophobicContact CD1-CD2 3.72Å; L235-L259 HydrophobicContact CD1-CG 3.71Å; L235-L259 HydrophobicContact CD2-CD2 4.12Å; I252-L259 HydrophobicContact CG2-CB 4.1Å; I252-L259 HydrophobicContact CG2-CD1 4.14Å; I252-L259 HydrophobicContact CG2-CD2 4.19Å; I252-L259 HydrophobicContact CG2-CG 4.36Å; R253-L259 CarbonylContact O-C 3.56Å; R253-L259 WeakPolarHBondContact O-CA 3.44Å; L259-L305 HydrophobicContact CD1-CD2 3.88Å; L259-L308 HydrophobicContact CD1-CD1 4.03Å; L259-M311 HydrophobicContact CD1-CE 4.2Å; L259-M311 HydrophobicContact CD1-SD 3.87Å; L259-M311 HydrophobicContact CG-SD 4.19Å
260I94.5Very high93.2Very high3 Ų335.9 Ų35.92%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-108.1128165.2-69.8171.5000107.6H226 L227 K228 I252 R253 D255 W317H226-I260 HydrophobicContact CB-CG2 4.49Å; L227-I260 CarbonylContact O-C 3.57Å; L227-I260 WeakPolarHBondContact O-CA 3.37Å; K228-I260 HydrophobicContact CB-CG1 4.47Å; K228-I260 HydrophobicContact CG-CG1 4.38Å; I252-I260 CarbonylContact C-O 3.51Å; I252-I260 VanDerWaalsContact CA-O 3.29Å; I252-I260 WeakPolarHBondContact CA-O 3.21Å; R253-I260 HydrophobicContact CG-CB 4.14Å; R253-I260 PolarHBondContact N-O 3.19Å; R253-I260 PolarHBondContact O-N 3.36Å; D255-I260 HydrophobicContact CB-CD1 3.73Å; D255-I260 HydrophobicContact CB-CG1 4Å; I260-W317 HydrophobicContact CD1-CH2 4.16Å; I260-W317 HydrophobicContact CG1-CH2 4.18Å; I260-W317 HydrophobicContact CG2-CH2 3.98Å; I260-W317 HydrophobicContact CG2-CZ2 4.49Å
261F95.8Very high93Very high1 Ų139.6 Ų39.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-113.4134.4175.5169.5-84.7000108.5H226 L227 Y250 Y251 I252 A263 I294 Q297 Y298 A301H226-F261 CarbonylContact C-O 3.53Å; H226-F261 VanDerWaalsContact CA-O 3.25Å; H226-F261 WeakPolarHBondContact CA-O 3.25Å; L227-F261 HydrophobicContact CB-CB 4.32Å; L227-F261 HydrophobicContact CB-CD1 4.33Å; L227-F261 HydrophobicContact CD1-CD1 3.66Å; L227-F261 HydrophobicContact CD1-CE1 4.13Å; L227-F261 HydrophobicContact CG-CD1 4.01Å; L227-F261 PolarHBondContact N-O 2.8Å; L227-F261 PolarHBondContact O-N 2.86Å; Y250-F261 HydrophobicContact CD1-CE2 4.21Å; Y250-F261 HydrophobicContact CD2-CD2 4.28Å; Y250-F261 AromaticContact CD2-CE2 3.71Å; Y250-F261 HydrophobicContact CD2-CE2 3.71Å; Y250-F261 HydrophobicContact CG-CD2 4.5Å; Y250-F261 AromaticContact CG-CE2 3.55Å; Y250-F261 HydrophobicContact CG-CE2 3.55Å; Y250-F261 HydrophobicContact CG-CZ 4.09Å; Y251-F261 WeakPolarHBondContact O-CA 3.46Å; I252-F261 HydrophobicContact CD1-CD2 4.34Å; I252-F261 HydrophobicContact CG1-CD2 3.92Å; F261-A263 HydrophobicContact CE1-CB 3.7Å; F261-A263 HydrophobicContact CZ-CB 3.81Å; F261-I294 HydrophobicContact CE1-CD1 4.36Å; F261-Q297 HydrophobicContact CZ-CB 4.11Å; F261-Y298 HydrophobicContact CD1-CD2 4.16Å; F261-Y298 HydrophobicContact CD2-CD2 4.49Å; F261-Y298 HydrophobicContact CE1-CD2 4.24Å; F261-Y298 HydrophobicContact CG-CD2 4.29Å; F261-Y298 HydrophobicContact CZ-CD2 4.45Å; F261-A301 HydrophobicContact CD2-CB 4.03Å; F261-A301 HydrophobicContact CE2-CB 3.48Å; F261-A301 VanDerWaalsContact CE2-CB 3.48Å; F261-A301 HydrophobicContact CZ-CB 4.4Å
262G94.8Very high92.7Very high0 Ų041.6 Ų41.60%021%0.205CC..EExtended strand (participates in β ladder)trans-136.5150.6169.300000110.8Q225 Y250 Y251Q225-G262 WeakPolarHBondContact O-CA 3.09Å; Y250-G262 CarbonylContact C-O 3.58Å; Y250-G262 VanDerWaalsContact CA-O 3.23Å; Y250-G262 WeakPolarHBondContact CA-O 3.47Å; Y250-G262 VanDerWaalsContact CB-O 3.3Å; Y250-G262 WeakPolarHBondContact CB-O 3.36Å; Y251-G262 VanDerWaalsContact CZ-CA 3.48Å; Y251-G262 PolarHBondContact N-O 3.04Å; Y251-G262 PolarHBondContact O-N 3.18Å; Y251-G262 VanDerWaalsContact O-N 3.11Å
263A94.3Very high92.2Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-141.6152.7-173.100000112.1H224 S249 F261 I294 Q297H224-A263 PolarHBondContact CE1-O 2.92Å; H224-A263 PolarHBondContact ND1-O 3.14Å; S249-A263 WeakPolarHBondContact O-CA 3.35Å; F261-A263 HydrophobicContact CE1-CB 3.7Å; F261-A263 HydrophobicContact CZ-CB 3.81Å; A263-I294 HydrophobicContact CB-CB 4.19Å; A263-I294 HydrophobicContact CB-CG2 4.14Å; A263-Q297 HydrophobicContact CB-CB 3.86Å; A263-Q297 HydrophobicContact CB-CG 4.14Å
264F93Very high91.3Very high12 Ų1250 Ų505%0.05325%0.252CS..  trans-105.5117172-59.7-93.8000108.8H224 S249 Y251 Q297 Y398 H401 Y402H224-F264 AromaticContact CE1-CE1 3.96Å; H224-F264 AromaticContact CE1-CZ 3.91Å; S249-F264 PolarHBondContact O-N 3.47Å; S249-F264 WeakPolarHBondContact OG-CB 3.47Å; S249-F264 PolarHBondContact OG-O 3.15Å; Y251-F264 HydrophobicContact CD1-CE2 4.22Å; Y251-F264 HydrophobicContact CE1-CE2 4.09Å; F264-Q297 PolarHBondContact O-NE2 3.32Å; F264-Y398 HydrophobicContact CB-CE1 4.3Å; F264-Y398 HydrophobicContact CD1-CD1 4.42Å; F264-Y398 AromaticContact CD1-CD2 3.99Å; F264-Y398 HydrophobicContact CD1-CD2 3.99Å; F264-Y398 HydrophobicContact CD1-CE1 4.09Å; F264-Y398 AromaticContact CD1-CE2 3.63Å; F264-Y398 HydrophobicContact CD1-CE2 3.63Å; F264-Y398 HydrophobicContact CD1-CG 4.38Å; F264-Y398 AromaticContact CD1-CZ 3.71Å; F264-Y398 HydrophobicContact CE1-CD2 4.3Å; F264-Y398 AromaticContact CE1-CE2 3.95Å; F264-Y398 HydrophobicContact CE1-CE2 3.95Å; F264-H401 HydrophobicContact CD1-CB 3.59Å; F264-H401 AromaticContact CD1-CG 4Å; F264-H401 HydrophobicContact CD2-CB 4.1Å; F264-H401 HydrophobicContact CE1-CB 3.63Å; F264-H401 AromaticContact CE1-CD2 3.79Å; F264-H401 AromaticContact CE1-CG 3.49Å; F264-H401 VanDerWaalsContact CE1-CG 3.49Å; F264-H401 AromaticContact CE1-ND1 3.91Å; F264-H401 HydrophobicContact CE2-CB 4.14Å; F264-H401 AromaticContact CE2-CD2 3.31Å; F264-H401 WeakPolarHBondContact CE2-CD2 3.29Å; F264-H401 AromaticContact CE2-CG 3.83Å; F264-H401 HydrophobicContact CG-CB 3.84Å; F264-H401 HydrophobicContact CZ-CB 3.92Å; F264-H401 AromaticContact CZ-CD2 3.17Å; F264-H401 WeakPolarHBondContact CZ-CD2 3.46Å; F264-H401 AromaticContact CZ-CG 3.41Å; F264-H401 VanDerWaalsContact CZ-CG 3.41Å; F264-H401 AromaticContact CZ-ND1 3.93Å; F264-H401 AromaticContact CZ-NE2 3.62Å; F264-Y402 AromaticContact CD2-CD2 3.75Å; F264-Y402 HydrophobicContact CD2-CD2 3.75Å; F264-Y402 AromaticContact CD2-CE2 3.86Å; F264-Y402 HydrophobicContact CD2-CE2 3.86Å; F264-Y402 AromaticContact CE2-CD2 3.96Å; F264-Y402 HydrophobicContact CE2-CD2 3.96Å; F264-Y402 AromaticContact CE2-CE2 3.66Å; F264-Y402 HydrophobicContact CE2-CE2 3.66Å
265E90.7Very high90.5Very high2 Ų253.5 Ų53.51%0.00927%0.271CS..  trans-73160.6179.866.3-91.7-155.100113.6V270 I293 Y398 S399E265-V270 HydrophobicContact CG-CG2 4.08Å; E265-I293 HydrophobicContact CB-CG2 3.41Å; E265-I293 VanDerWaalsContact CB-CG2 3.41Å; E265-I293 HydrophobicContact CG-CG2 3.68Å; E265-Y398 HydrophobicContact CG-CE1 4.13Å; E265-Y398 WeakPolarHBondContact OE2-CE1 3.46Å; E265-Y398 PolarHBondContact OE2-OH 3.23Å; E265-S399 WeakPolarHBondContact O-CA 3.18Å; E265-S399 VanDerWaalsContact O-CB 3.29Å; E265-S399 WeakPolarHBondContact O-CB 3.4Å
266K90.4Very high90Very high101 Ų10152.2 Ų52.244%0.43926%0.262SS..  trans-63.6150.6175.6-64.5174.5176.61640110.6N268 Y269 V270 E296K266-N268 VanDerWaalsContact C-N 3.26Å; K266-N268 PolarHBondContact O-N 3.08Å; K266-Y269 HydrophobicContact CB-CD2 4.11Å; K266-Y269 PolarHBondContact O-N 3.06Å; K266-V270 PolarHBondContact O-N 3.1Å; K266-E296 WeakPolarHBondContact CE-OE2 2.82Å; K266-E296 IonicContact NZ-OE1 3.78Å; K266-E296 PolarHBondContact NZ-OE1 2.88Å; K266-E296 IonicContact NZ-OE2 3.49Å; K266-E296 PolarHBondContact NZ-OE2 3.02Å
267E90.7Very high88.9Confident77 Ų7753.6 Ų53.636%0.3626%0.263SS..G310 helixtrans-44.8-44.8-174.3-169.9-176.6128.400114.3Y269 V270 K395E267-Y269 PolarHBondContact O-N 3.35Å; E267-V270 WeakPolarHBondContact O-CG2 3.36Å; E267-V270 PolarHBondContact O-N 3.46Å; E267-K395 HydrophobicContact CG-CB 3.9Å
268N90.6Very high87.4Confident147 Ų14754.5 Ų54.579%0.78627%0.268SS*.G310 helixtrans-67.4-19.1-178.1-71.2-24.1000114.5K266K266-N268 VanDerWaalsContact C-N 3.26Å; K266-N268 PolarHBondContact O-N 3.08Å
269Y92.3Very high86.1Confident134 Ų13459.4 Ų59.453%0.52529%0.287SS..G310 helixtrans-102.5-5.6-180-58.1-59.7000113.3K266 E267 R271 I293K266-Y269 HydrophobicContact CB-CD2 4.11Å; K266-Y269 PolarHBondContact O-N 3.06Å; E267-Y269 PolarHBondContact O-N 3.35Å; Y269-R271 PolarHBondContact O-N 3.36Å; Y269-R271 VanDerWaalsContact O-N 3.13Å; Y269-I293 HydrophobicContact CG-CG2 4.47Å
270V92Very high84.6Confident7 Ų760.3 Ų60.34%0.04229%0.291CS..  trans-58.9118.7-179.2179.10000110.1V222 E265 K266 E267 M272 K395 Y398V222-V270 HydrophobicContact CG1-CG1 3.72Å; E265-V270 HydrophobicContact CG-CG2 4.08Å; K266-V270 PolarHBondContact O-N 3.1Å; E267-V270 WeakPolarHBondContact O-CG2 3.36Å; E267-V270 PolarHBondContact O-N 3.46Å; V270-M272 HydrophobicContact CG1-CG 4.35Å; V270-K395 HydrophobicContact CB-CB 4.22Å; V270-K395 HydrophobicContact CB-CD 4.47Å; V270-K395 HydrophobicContact CB-CG 3.99Å; V270-K395 HydrophobicContact CG1-CB 4.39Å; V270-K395 HydrophobicContact CG1-CG 3.99Å; V270-K395 HydrophobicContact CG2-CB 4.44Å; V270-Y398 HydrophobicContact CB-CD1 4.42Å; V270-Y398 HydrophobicContact CG1-CD1 3.89Å; V270-Y398 HydrophobicContact CG1-CE1 4.43Å; V270-Y398 HydrophobicContact CG1-CG 4.33Å; V270-Y398 HydrophobicContact CG2-CD1 3.65Å; V270-Y398 HydrophobicContact CG2-CE1 4.19Å
271R90.9Very high83Confident81 Ų8162.6 Ų62.631%0.30631%0.306SS..  trans-90.8123.2179.8-68.1178.164.2-160.3-0.7110.2V222 L223 Y269 Q288 I293V222-R271 WeakPolarHBondContact CA-O 3.22Å; L223-R271 HydrophobicContact CB-CB 4.14Å; L223-R271 HydrophobicContact CD1-CB 4.14Å; L223-R271 HydrophobicContact CG-CB 4.3Å; L223-R271 PolarHBondContact N-O 3.1Å; Y269-R271 PolarHBondContact O-N 3.36Å; Y269-R271 VanDerWaalsContact O-N 3.13Å; R271-Q288 PolarHBondContact NH1-O 3.4Å; R271-I293 HydrophobicContact CG-CD1 4.11Å
272M89.4Confident81.2Confident45 Ų4566.5 Ų66.522%0.22233%0.325CS..EExtended strand (participates in β ladder)trans-114.4153.2177.5-57.7-174.271.800110.7L220 Y221 V222 V270 I391 T394 K395L220-M272 HydrophobicContact CB-CE 3.73Å; L220-M272 HydrophobicContact CD2-CE 3.43Å; L220-M272 VanDerWaalsContact CD2-CE 3.43Å; L220-M272 HydrophobicContact CG-CE 4.2Å; Y221-M272 CarbonylContact O-C 3.57Å; Y221-M272 VanDerWaalsContact O-CA 3.23Å; Y221-M272 WeakPolarHBondContact O-CA 3.3Å; V222-M272 HydrophobicContact CG2-CE 4.47Å; V222-M272 HydrophobicContact CG2-CG 4.44Å; V270-M272 HydrophobicContact CG1-CG 4.35Å; M272-I391 HydrophobicContact SD-CG2 3.88Å; M272-T394 HydrophobicContact CE-CG2 3.68Å; M272-K395 HydrophobicContact CG-CG 4.33Å; M272-K395 HydrophobicContact SD-CD 4.12Å; M272-K395 WeakPolarHBondContact SD-CE 3.32Å; M272-K395 HydrophobicContact SD-CG 3.54Å; M272-K395 VanDerWaalsContact SD-CG 3.54Å
273L86.1Confident79.5Confident39 Ų3970.9 Ų70.920%0.20436%0.356CS..EExtended strand (participates in β ladder)trans-103.5135.6166.9-50174.1000109Y221 L223 D275 W276 L287Y221-L273 PolarHBondContact O-N 3.46Å; L223-L273 HydrophobicContact CD1-CD2 4.19Å; L223-L273 HydrophobicContact CD2-CD1 3.9Å; L223-L273 HydrophobicContact CD2-CD2 4.1Å; L223-L273 HydrophobicContact CD2-CG 3.94Å; L223-L273 HydrophobicContact CG-CD2 4.3Å; L223-L273 HydrophobicContact CG-CG 4.39Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 WeakPolarHBondContact CB-O 3.23Å; L273-W276 HydrophobicContact CD1-CE3 4.04Å; L273-W276 HydrophobicContact CD1-CZ3 4.04Å; L273-L287 HydrophobicContact CD1-CD1 4.39Å
274D75.7Confident77.7Confident163 Ų16373.8 Ų73.887%0.87239%0.386SS*.SBendtrans-67-37.4178.7-66.4-35.5000111.6
275D76.4Confident76Confident87 Ų8779 Ų7947%0.46541%0.414SS..SBendtrans-139.6168.117472.413.9000112L273 S277L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 WeakPolarHBondContact CB-O 3.23Å; D275-S277 VanDerWaalsContact OD1-CB 3.31Å; D275-S277 WeakPolarHBondContact OD1-CB 3.38Å; D275-S277 PolarHBondContact OD1-N 3.43Å; D275-S277 PolarHBondContact OD1-OG 3.19Å
276W79.5Confident74.9Confident24 Ų2482.8 Ų82.89%0.09143%0.431CS..  trans-100.187.9164.8-174.8-109.4000109L203 Q207 Y221 L273 V278 Q280 A320L203-W276 HydrophobicContact CB-CD2 3.85Å; L203-W276 VanDerWaalsContact CB-CE2 3.5Å; L203-W276 HydrophobicContact CB-CG 4.05Å; L203-W276 HydrophobicContact CB-CZ2 3.95Å; L203-W276 HydrophobicContact CD1-CD2 4.32Å; L203-W276 HydrophobicContact CD1-CE3 4.44Å; L203-W276 HydrophobicContact CD1-CH2 3.41Å; L203-W276 VanDerWaalsContact CD1-CH2 3.41Å; L203-W276 HydrophobicContact CD1-CZ2 3.24Å; L203-W276 HydrophobicContact CD1-CZ3 4.04Å; L203-W276 HydrophobicContact CG-CZ2 4.18Å; Q207-W276 PolarHBondContact NE2-O 2.85Å; Y221-W276 HydrophobicContact CD1-CB 4.16Å; Y221-W276 HydrophobicContact CD1-CE3 4.37Å; Y221-W276 HydrophobicContact CD2-CB 4.15Å; Y221-W276 HydrophobicContact CE1-CB 3.6Å; Y221-W276 HydrophobicContact CE1-CG 4.1Å; Y221-W276 HydrophobicContact CE2-CB 3.61Å; Y221-W276 HydrophobicContact CG-CB 4.4Å; Y221-W276 WeakPolarHBondContact OH-CB 3.32Å; L273-W276 HydrophobicContact CD1-CE3 4.04Å; L273-W276 HydrophobicContact CD1-CZ3 4.04Å; W276-V278 VanDerWaalsContact CE2-O 3.31Å; W276-V278 WeakPolarHBondContact CH2-O 3.49Å; W276-V278 WeakPolarHBondContact CZ2-O 3.35Å; W276-Q280 HydrophobicContact CH2-CG 4.09Å; W276-A320 HydrophobicContact CE3-CB 4.2Å; W276-A320 HydrophobicContact CH2-CB 3.76Å; W276-A320 HydrophobicContact CZ3-CB 3.3Å
277S67.5Low74.2Confident82 Ų8279.3 Ų79.357%0.57342%0.417SS*.  trans-111.7-17.4169.155.10000112D275D275-S277 VanDerWaalsContact OD1-CB 3.31Å; D275-S277 WeakPolarHBondContact OD1-CB 3.38Å; D275-S277 PolarHBondContact OD1-N 3.43Å; D275-S277 PolarHBondContact OD1-OG 3.19Å
278V62.3Low73.7Confident61 Ų6182.9 Ų82.937%0.3743%0.434SS..PPolyproline II helixtrans-84.5119.4-175.9-171.40000110.1W276 L287W276-V278 VanDerWaalsContact CE2-O 3.31Å; W276-V278 WeakPolarHBondContact CH2-O 3.49Å; W276-V278 WeakPolarHBondContact CZ2-O 3.35Å; V278-L287 HydrophobicContact CG1-CD2 3.78Å
279R65.8Low73.3Confident181 Ų18177.2 Ų77.268%0.68341%0.405SS*.PPolyproline II helixtrans-85.5130.7172.7-65.1-173-177.3-177.90.9109.9
280Q63.9Low73.1Confident20 Ų2073.8 Ų73.89%0.09340%0.396CS..PPolyproline II helixtrans-100.1118.4168-69.3-173.9-45.400108.9W276 L287 S318W276-Q280 HydrophobicContact CH2-CG 4.09Å; Q280-L287 HydrophobicContact CG-CD1 4.4Å; Q280-L287 HydrophobicContact CG-CG 4.18Å; Q280-S318 PolarHBondContact NE2-O 3.26Å; Q280-S318 VanDerWaalsContact NE2-O 3.09Å
281P60.4Low72.8Confident50 Ų5076 Ų7633%0.32541%0.405SS..PPolyproline II helixtrans-65.9153171.127.7-31.9000110.4H46 S283 D285H46-P281 PolarHBondContact CE1-O 2.87Å; H46-P281 VanDerWaalsContact CE1-O 3.25Å; H46-P281 PolarHBondContact NE2-O 2.96Å; P281-S283 PolarHBondContact O-N 3.23Å; P281-D285 WeakPolarHBondContact CD-O 3.4Å; P281-D285 HydrophobicContact CG-CB 3.61Å
282M58.7Low72.8Confident83 Ų8378.4 Ų78.441%0.40942%0.42SS..SBendtrans-58.5-19.2179.9-60.8-162.5-42.600114.3R38R38-M282 HydrophobicContact CB-SD 4.34Å
283S59.4Low72.8Confident93 Ų9377.6 Ų77.665%0.6542%0.416SS*.SBendtrans-148.7149.4176.659.70000111.3P281 D285P281-S283 PolarHBondContact O-N 3.23Å; S283-D285 PolarHBondContact O-N 2.9Å
284G56.3Low73Confident61 Ų6175.7 Ų75.763%0.62941%0.406SS*.SBendtrans95.9-52.4165.500000115.5
285D58.1Low73.8Confident121 Ų12171.4 Ų71.465%0.64738%0.379SS*.  trans-110.977.9-171.6-57.5-38.6000112.5P281 S283P281-D285 WeakPolarHBondContact CD-O 3.4Å; P281-D285 HydrophobicContact CG-CB 3.61Å; S283-D285 PolarHBondContact O-N 2.9Å
286F67.6Low74.6Confident81 Ų8172.8 Ų72.836%0.35538%0.383SS..  trans-71158.9172.5-62.9-81.9000112H46 W317H46-F286 AromaticContact CD2-CD1 3.47Å; H46-F286 VanDerWaalsContact CD2-CD1 3.47Å; H46-F286 WeakPolarHBondContact CD2-CD1 3.35Å; H46-F286 AromaticContact CD2-CE1 3.35Å; H46-F286 WeakPolarHBondContact CD2-CE1 3.41Å; H46-F286 AromaticContact NE2-CD1 3.91Å; H46-F286 AromaticContact NE2-CE1 3.85Å; F286-W317 HydrophobicContact CB-CB 3.59Å; F286-W317 HydrophobicContact CD1-CB 3.56Å; F286-W317 AromaticContact CD1-CD1 3.54Å; F286-W317 AromaticContact CD1-CG 3.75Å; F286-W317 HydrophobicContact CD1-CG 3.75Å; F286-W317 HydrophobicContact CD2-CB 3.8Å; F286-W317 HydrophobicContact CD2-CG 4.49Å; F286-W317 HydrophobicContact CE1-CB 4.15Å; F286-W317 AromaticContact CE1-CD1 3.64Å; F286-W317 AromaticContact CE1-CG 3.92Å; F286-W317 HydrophobicContact CE1-CG 3.92Å; F286-W317 HydrophobicContact CE2-CB 4.36Å; F286-W317 HydrophobicContact CG-CB 3.37Å; F286-W317 HydrophobicContact CG-CG 4.06Å; F286-W317 HydrophobicContact CZ-CG 4.38Å
287L75.2Confident75.3Confident28 Ų2872.4 Ų72.415%0.14738%0.382CS..BIsolated β-bridgetrans-63.3140.6168.4-76.9168.1000109.3L223 L273 V278 Q280 P289 S318 A320L223-L287 HydrophobicContact CD2-CD1 3.48Å; L223-L287 VanDerWaalsContact CD2-CD1 3.48Å; L273-L287 HydrophobicContact CD1-CD1 4.39Å; V278-L287 HydrophobicContact CG1-CD2 3.78Å; Q280-L287 HydrophobicContact CG-CD1 4.4Å; Q280-L287 HydrophobicContact CG-CG 4.18Å; L287-P289 VanDerWaalsContact O-CD 3.23Å; L287-P289 WeakPolarHBondContact O-CD 3.17Å; L287-P289 VanDerWaalsContact O-N 3.13Å; L287-S318 WeakPolarHBondContact O-CB 3.31Å; L287-S318 PolarHBondContact O-N 3.4Å; L287-A320 HydrophobicContact CD1-CB 4.08Å
288Q80.1Confident76.7Confident153 Ų15369.5 Ų69.572%0.71536%0.359SS*.  trans-60.7114.3-173.9-74.7-71.1-32.600111.1R271R271-Q288 PolarHBondContact NH1-O 3.4Å
289P82.6Confident78.2Confident28 Ų2869.3 Ų69.318%0.18236%0.356CS..  trans-73157.3177.131.5-33.8000111.2L287 N316 S318L287-P289 VanDerWaalsContact O-CD 3.23Å; L287-P289 WeakPolarHBondContact O-CD 3.17Å; L287-P289 VanDerWaalsContact O-N 3.13Å; P289-N316 HydrophobicContact CB-CB 4.19Å; P289-N316 HydrophobicContact CG-CB 3.98Å; P289-N316 WeakPolarHBondContact CG-ND2 3.49Å; P289-N316 WeakPolarHBondContact CG-OD1 3.37Å; P289-S318 VanDerWaalsContact CA-OG 3.31Å; P289-S318 WeakPolarHBondContact CA-OG 3.04Å
290N86.5Confident79.6Confident62 Ų6262.2 Ų62.233%0.33234%0.339SS..  trans-128.194.1170.7-174.5-9.9000109Q225 E292 I293Q225-N290 PolarHBondContact NE2-O 2.87Å; Q225-N290 PolarHBondContact OE1-O 3.13Å; N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 3.23Å; N290-E292 WeakPolarHBondContact OD1-CB 3.32Å; N290-E292 PolarHBondContact OD1-N 2.86Å; N290-I293 HydrophobicContact CB-CD1 3.94Å; N290-I293 HydrophobicContact CB-CG1 4.32Å; N290-I293 WeakPolarHBondContact ND2-CD1 3.14Å; N290-I293 PolarHBondContact O-N 3.35Å
291F87Confident81.2Confident52 Ų5261.3 Ų61.323%0.22834%0.335CS..G310 helixtrans-61.3-32.2-179.5176.5-109.3000112.9L227 I293 I294 K295 Y298L227-F291 HydrophobicContact CD1-CD2 3.74Å; L227-F291 HydrophobicContact CD1-CE2 3.48Å; L227-F291 VanDerWaalsContact CD1-CE2 3.48Å; L227-F291 HydrophobicContact CD2-CD2 3.85Å; L227-F291 HydrophobicContact CD2-CE2 4.39Å; L227-F291 HydrophobicContact CG-CD2 4.45Å; F291-I293 PolarHBondContact O-N 2.74Å; F291-I293 VanDerWaalsContact O-N 3.17Å; F291-I294 HydrophobicContact CD2-CD1 4.4Å; F291-I294 HydrophobicContact CD2-CG1 4.18Å; F291-I294 CarbonylContact O-C 3.57Å; F291-I294 WeakPolarHBondContact O-CG1 3.37Å; F291-I294 PolarHBondContact O-N 2.81Å; F291-K295 HydrophobicContact CE1-CB 4.44Å; F291-K295 HydrophobicContact CE1-CG 4.05Å; F291-K295 HydrophobicContact CZ-CG 4.34Å; F291-K295 PolarHBondContact O-N 2.83Å; F291-Y298 HydrophobicContact CE2-CD1 4Å; F291-Y298 HydrophobicContact CE2-CD2 4.43Å; F291-Y298 AromaticContact CE2-CG 3.9Å; F291-Y298 HydrophobicContact CE2-CG 3.9Å; F291-Y298 AromaticContact CZ-CD1 3.7Å; F291-Y298 HydrophobicContact CZ-CD1 3.7Å; F291-Y298 HydrophobicContact CZ-CE1 4.22Å; F291-Y298 HydrophobicContact CZ-CG 4.06Å
292E89.5Confident82.9Confident133 Ų13359 Ų5962%0.62132%0.32SS*.G310 helixtrans-59.9-31-178.5-63.8-57.8140.800112.3N290 I294N290-E292 VanDerWaalsContact C-N 3.26Å; N290-E292 PolarHBondContact O-N 3.23Å; N290-E292 WeakPolarHBondContact OD1-CB 3.32Å; N290-E292 PolarHBondContact OD1-N 2.86Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.95Å
293I89.9Confident84.6Confident27 Ų2758.7 Ų58.714%0.13832%0.32CS..G310 helixtrans-68.2-30.2179-70.2175.1000112.4E265 Y269 R271 N290 F291E265-I293 HydrophobicContact CB-CG2 3.41Å; E265-I293 VanDerWaalsContact CB-CG2 3.41Å; E265-I293 HydrophobicContact CG-CG2 3.68Å; Y269-I293 HydrophobicContact CG-CG2 4.47Å; R271-I293 HydrophobicContact CG-CD1 4.11Å; N290-I293 HydrophobicContact CB-CD1 3.94Å; N290-I293 HydrophobicContact CB-CG1 4.32Å; N290-I293 WeakPolarHBondContact ND2-CD1 3.14Å; N290-I293 PolarHBondContact O-N 3.35Å; F291-I293 PolarHBondContact O-N 2.74Å; F291-I293 VanDerWaalsContact O-N 3.17Å
294I91.2Very high86.3Confident0 Ų054.6 Ų54.60%029%0.291CS..G310 helixtrans-108.76.4-177.562.7169.5000112.8Q225 L227 F261 A263 F291 E292 E296 Q297 Y298Q225-I294 HydrophobicContact CB-CD1 4.19Å; L227-I294 HydrophobicContact CD1-CD1 3.98Å; L227-I294 HydrophobicContact CD2-CD1 4.08Å; L227-I294 HydrophobicContact CG-CD1 3.96Å; F261-I294 HydrophobicContact CE1-CD1 4.36Å; A263-I294 HydrophobicContact CB-CB 4.19Å; A263-I294 HydrophobicContact CB-CG2 4.14Å; F291-I294 HydrophobicContact CD2-CD1 4.4Å; F291-I294 HydrophobicContact CD2-CG1 4.18Å; F291-I294 CarbonylContact O-C 3.57Å; F291-I294 WeakPolarHBondContact O-CG1 3.37Å; F291-I294 PolarHBondContact O-N 2.81Å; E292-I294 VanDerWaalsContact C-N 3.31Å; E292-I294 PolarHBondContact O-N 2.95Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.48Å; I294-Q297 PolarHBondContact O-N 2.92Å; I294-Q297 PolarHBondContact O-OE1 3.27Å; I294-Y298 PolarHBondContact O-N 2.95Å
295K92.8Very high88.1Confident72 Ų7251.9 Ų51.931%0.31326%0.262SS..Hα-helixtrans-61.1-40.2-174.8-170.4-168.2-176.9-43.10111.9F291 Q297 Y298 D299F291-K295 HydrophobicContact CE1-CB 4.44Å; F291-K295 HydrophobicContact CE1-CG 4.05Å; F291-K295 HydrophobicContact CZ-CG 4.34Å; F291-K295 PolarHBondContact O-N 2.83Å; K295-Q297 PolarHBondContact O-N 3.15Å; K295-Y298 PolarHBondContact O-N 2.63Å; K295-D299 IonicContact NZ-OD1 2.65Å; K295-D299 PolarHBondContact NZ-OD1 3.46Å; K295-D299 IonicContact NZ-OD2 3.71Å; K295-D299 PolarHBondContact NZ-OD2 3.15Å; K295-D299 WeakPolarHBondContact O-CB 3.45Å; K295-D299 VanDerWaalsContact O-CG 3.26Å; K295-D299 PolarHBondContact O-N 2.96Å
296E92.8Very high89.9Confident117 Ų11749.1 Ų49.155%0.54725%0.25SS..Hα-helixtrans-59-46.1178.3-177-179.1164.200111.5K266 I294 G300K266-E296 WeakPolarHBondContact CE-OE2 2.82Å; K266-E296 IonicContact NZ-OE1 3.78Å; K266-E296 PolarHBondContact NZ-OE1 2.88Å; K266-E296 IonicContact NZ-OE2 3.49Å; K266-E296 PolarHBondContact NZ-OE2 3.02Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.48Å; E296-G300 PolarHBondContact O-N 2.72Å
297Q94.8Very high91.1Very high15 Ų1546.4 Ų46.47%0.0724%0.241CC..Hα-helixtrans-66-41.7176.8-66.284.4-17.500111.2G248 Y250 F261 A263 F264 I294 K295 G300 A301G248-Q297 WeakPolarHBondContact O-CG 3.27Å; Y250-Q297 HydrophobicContact CD1-CB 4.4Å; F261-Q297 HydrophobicContact CZ-CB 4.11Å; A263-Q297 HydrophobicContact CB-CB 3.86Å; A263-Q297 HydrophobicContact CB-CG 4.14Å; F264-Q297 PolarHBondContact O-NE2 3.32Å; I294-Q297 PolarHBondContact O-N 2.92Å; I294-Q297 PolarHBondContact O-OE1 3.27Å; K295-Q297 PolarHBondContact O-N 3.15Å; Q297-G300 PolarHBondContact O-N 3.22Å; Q297-A301 WeakPolarHBondContact O-CB 3.44Å; Q297-A301 PolarHBondContact O-N 2.97Å
298Y95.2Very high92.1Very high21 Ų2145 Ų458%0.08223%0.234CC..Hα-helixtrans-65.1-42177.7-178-99.3000112.6L227 F261 F291 I294 K295 G300 A301 C302 L308 V313L227-Y298 HydrophobicContact CD1-CD2 3.55Å; L227-Y298 HydrophobicContact CD1-CE2 4Å; L227-Y298 HydrophobicContact CD1-CG 4.16Å; F261-Y298 HydrophobicContact CD1-CD2 4.16Å; F261-Y298 HydrophobicContact CD2-CD2 4.49Å; F261-Y298 HydrophobicContact CE1-CD2 4.24Å; F261-Y298 HydrophobicContact CG-CD2 4.29Å; F261-Y298 HydrophobicContact CZ-CD2 4.45Å; F291-Y298 HydrophobicContact CE2-CD1 4Å; F291-Y298 HydrophobicContact CE2-CD2 4.43Å; F291-Y298 AromaticContact CE2-CG 3.9Å; F291-Y298 HydrophobicContact CE2-CG 3.9Å; F291-Y298 AromaticContact CZ-CD1 3.7Å; F291-Y298 HydrophobicContact CZ-CD1 3.7Å; F291-Y298 HydrophobicContact CZ-CE1 4.22Å; F291-Y298 HydrophobicContact CZ-CG 4.06Å; I294-Y298 PolarHBondContact O-N 2.95Å; K295-Y298 PolarHBondContact O-N 2.63Å; Y298-G300 VanDerWaalsContact C-N 3.34Å; Y298-A301 PolarHBondContact O-N 3.04Å; Y298-C302 VanDerWaalsContact CE1-SG 3.53Å; Y298-C302 PolarHBondContact O-N 3.06Å; Y298-C302 PolarHBondContact O-SG 2.67Å; Y298-L308 HydrophobicContact CD2-CD2 4.46Å; Y298-L308 HydrophobicContact CE2-CD2 4.03Å; Y298-L308 HydrophobicContact CE2-CG 4.12Å; Y298-V313 HydrophobicContact CE2-CG2 4.33Å
299D95.2Very high92.7Very high58 Ų5844.6 Ų44.631%0.3123%0.226SC..Hα-helixtrans-62-44.6175-70.8-18.5000110.3K295 A301 C302 D303K295-D299 IonicContact NZ-OD1 2.65Å; K295-D299 PolarHBondContact NZ-OD1 3.46Å; K295-D299 IonicContact NZ-OD2 3.71Å; K295-D299 PolarHBondContact NZ-OD2 3.15Å; K295-D299 WeakPolarHBondContact O-CB 3.45Å; K295-D299 VanDerWaalsContact O-CG 3.26Å; K295-D299 PolarHBondContact O-N 2.96Å; D299-A301 VanDerWaalsContact C-N 3.31Å; D299-A301 PolarHBondContact O-N 3.28Å; D299-C302 WeakPolarHBondContact O-CB 3.34Å; D299-C302 PolarHBondContact O-N 3.04Å; D299-D303 PolarHBondContact O-N 3.27Å
300G94.9Very high93.2Very high32 Ų3251.3 Ų51.333%0.3326%0.255SS..Hα-helixtrans-60.6-37.8174.200000113.3E296 Q297 Y298 D303 L304E296-G300 PolarHBondContact O-N 2.72Å; Q297-G300 PolarHBondContact O-N 3.22Å; Y298-G300 VanDerWaalsContact C-N 3.34Å; G300-D303 PolarHBondContact O-N 2.71Å; G300-L304 PolarHBondContact O-N 2.62Å
301A96.3Very high93.6Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-67.8-40.2174.300000112.8Y250 I252 F261 Q297 Y298 D299 D303 L304 L305 L308Y250-A301 HydrophobicContact CD1-CB 4.22Å; Y250-A301 HydrophobicContact CD2-CB 4.13Å; Y250-A301 HydrophobicContact CE1-CB 3.84Å; Y250-A301 HydrophobicContact CE2-CB 3.75Å; Y250-A301 HydrophobicContact CG-CB 4.37Å; I252-A301 HydrophobicContact CD1-CB 4.38Å; F261-A301 HydrophobicContact CD2-CB 4.03Å; F261-A301 HydrophobicContact CE2-CB 3.48Å; F261-A301 VanDerWaalsContact CE2-CB 3.48Å; F261-A301 HydrophobicContact CZ-CB 4.4Å; Q297-A301 WeakPolarHBondContact O-CB 3.44Å; Q297-A301 PolarHBondContact O-N 2.97Å; Y298-A301 PolarHBondContact O-N 3.04Å; D299-A301 VanDerWaalsContact C-N 3.31Å; D299-A301 PolarHBondContact O-N 3.28Å; A301-D303 PolarHBondContact O-N 3.39Å; A301-L304 PolarHBondContact O-N 2.74Å; A301-L305 WeakPolarHBondContact O-CB 3.12Å; A301-L305 PolarHBondContact O-N 2.64Å; A301-L308 HydrophobicContact CB-CD2 3.87Å
302C96.4Very high93.8Very high2 Ų247.5 Ų47.51%0.01424%0.24CC..Hα-helixtrans-62.2-34.4172.7-69.40000111.8Y298 D299 L304 L305 P306 R309Y298-C302 VanDerWaalsContact CE1-SG 3.53Å; Y298-C302 PolarHBondContact O-N 3.06Å; Y298-C302 PolarHBondContact O-SG 2.67Å; D299-C302 WeakPolarHBondContact O-CB 3.34Å; D299-C302 PolarHBondContact O-N 3.04Å; C302-L304 VanDerWaalsContact C-N 3.31Å; C302-L305 CarbonylContact O-C 3.49Å; C302-L305 VanDerWaalsContact O-C 3.26Å; C302-P306 WeakPolarHBondContact O-CA 3.47Å; C302-R309 HydrophobicContact CB-CB 4.18Å
303D95Very high93.9Very high77 Ų7743.5 Ų43.541%0.41223%0.225SC..Hα-helixtrans-70-29.5177.3-76.1-2.5000112.3K133 D299 G300 A301 R309K133-D303 PolarHBondContact NZ-O 2.86Å; D299-D303 PolarHBondContact O-N 3.27Å; G300-D303 PolarHBondContact O-N 2.71Å; A301-D303 PolarHBondContact O-N 3.39Å; D303-R309 IonicContact OD1-NH2 2.82Å; D303-R309 PolarHBondContact OD1-NH2 3.5Å; D303-R309 VanDerWaalsContact OD1-NH2 3.1Å
304L94.6Very high94Very high7 Ų747 Ų474%0.03724%0.241CC..Hα-helixtrans-89-28176.5-167.663.8000113.4L93 V129 D130 K133 I134 Y250 G300 A301 C302L93-L304 HydrophobicContact CD1-CD2 3.65Å; V129-L304 HydrophobicContact CG1-CD1 4.49Å; V129-L304 HydrophobicContact CG1-CG 4.4Å; D130-L304 PolarHBondContact N-O 2.95Å; K133-L304 HydrophobicContact CB-CD1 3.87Å; K133-L304 HydrophobicContact CD-CD1 4.38Å; I134-L304 HydrophobicContact CD1-CD1 3.69Å; I134-L304 HydrophobicContact CD1-CD2 4.13Å; I134-L304 HydrophobicContact CD1-CG 4.44Å; I134-L304 HydrophobicContact CG1-CD1 4.21Å; Y250-L304 VanDerWaalsContact OH-CD2 3.32Å; Y250-L304 WeakPolarHBondContact OH-CD2 3.46Å; G300-L304 PolarHBondContact O-N 2.62Å; A301-L304 PolarHBondContact O-N 2.74Å; C302-L304 VanDerWaalsContact C-N 3.31Å
305L95Very high93.8Very high3 Ų348.5 Ų48.52%0.01626%0.256CS..SBendtrans-127.476.6178.6-179.360.1000108.8W126 L128 V129 I252 L259 A301 C302 P307 L308W126-L305 HydrophobicContact CZ2-CD2 4.19Å; L128-L305 HydrophobicContact CB-CD1 3.45Å; L128-L305 VanDerWaalsContact CB-CD1 3.45Å; L128-L305 VanDerWaalsContact O-CD1 3.25Å; L128-L305 WeakPolarHBondContact O-CD1 3.32Å; V129-L305 HydrophobicContact CG2-CD1 4.35Å; I252-L305 HydrophobicContact CD1-CD2 3.76Å; L259-L305 HydrophobicContact CD1-CD2 3.88Å; A301-L305 WeakPolarHBondContact O-CB 3.12Å; A301-L305 PolarHBondContact O-N 2.64Å; C302-L305 CarbonylContact O-C 3.49Å; C302-L305 VanDerWaalsContact O-C 3.26Å; L305-P307 VanDerWaalsContact C-CD 3.41Å; L305-P307 VanDerWaalsContact C-N 3.34Å; L305-P307 VanDerWaalsContact O-N 3.16Å; L305-L308 HydrophobicContact CB-CB 4.34Å; L305-L308 HydrophobicContact CD2-CB 4.2Å; L305-L308 HydrophobicContact CG-CB 4.05Å; L305-L308 WeakPolarHBondContact O-CB 3.28Å; L305-L308 PolarHBondContact O-N 3.47Å
306P94.4Very high93.5Very high63 Ų6348.3 Ų48.341%0.40926%0.258SS..THydrogen-bonded Turntrans-50.9-40.3-173.5-27.134.6000115.6D130 C302 L308 R309D130-P306 HydrophobicContact CB-CG 4.5Å; C302-P306 WeakPolarHBondContact O-CA 3.47Å; P306-L308 PolarHBondContact O-N 2.7Å; P306-L308 VanDerWaalsContact O-N 3.1Å; P306-R309 PolarHBondContact O-N 2.99Å
307P94Very high93.2Very high24 Ų2444 Ų4416%0.15624%0.237CC..Hα-helixtrans-59.1-22.5176.5-26.736.9000114.7L128 L234 L305 R309 E310 M311L128-P307 HydrophobicContact CB-CG 4.35Å; L128-P307 HydrophobicContact CD2-CG 4.33Å; L234-P307 HydrophobicContact CD1-CB 3.87Å; L234-P307 HydrophobicContact CD1-CG 4.4Å; L305-P307 VanDerWaalsContact C-CD 3.41Å; L305-P307 VanDerWaalsContact C-N 3.34Å; L305-P307 VanDerWaalsContact O-N 3.16Å; P307-R309 PolarHBondContact O-N 2.83Å; P307-E310 PolarHBondContact O-N 3.2Å; P307-E310 VanDerWaalsContact O-N 3.11Å; P307-M311 HydrophobicContact CB-CE 4.31Å; P307-M311 WeakPolarHBondContact O-CG 3.34Å; P307-M311 PolarHBondContact O-N 3.23Å; P307-M311 VanDerWaalsContact O-N 3.07Å
308L95.6Very high92.8Very high0 Ų043.2 Ų43.20%023%0.234CC..Hα-helixtrans-56.7-38.1178.6-17763.2000111.9T229 I252 L259 Y298 A301 L305 P306 E310T229-L308 HydrophobicContact CG2-CD1 3.62Å; I252-L308 HydrophobicContact CD1-CD2 4.21Å; L259-L308 HydrophobicContact CD1-CD1 4.03Å; Y298-L308 HydrophobicContact CD2-CD2 4.46Å; Y298-L308 HydrophobicContact CE2-CD2 4.03Å; Y298-L308 HydrophobicContact CE2-CG 4.12Å; A301-L308 HydrophobicContact CB-CD2 3.87Å; L305-L308 HydrophobicContact CB-CB 4.34Å; L305-L308 HydrophobicContact CD2-CB 4.2Å; L305-L308 HydrophobicContact CG-CB 4.05Å; L305-L308 WeakPolarHBondContact O-CB 3.28Å; L305-L308 PolarHBondContact O-N 3.47Å; P306-L308 PolarHBondContact O-N 2.7Å; P306-L308 VanDerWaalsContact O-N 3.1Å; L308-E310 VanDerWaalsContact C-N 3.35Å
309R93.7Very high92.4Very high144 Ų14442.7 Ų42.754%0.54323%0.232SC..Hα-helixtrans-65.9-38.7179-172.4174.4-70.9152.53.4111.7C302 D303 P306 P307C302-R309 HydrophobicContact CB-CB 4.18Å; D303-R309 IonicContact OD1-NH2 2.82Å; D303-R309 PolarHBondContact OD1-NH2 3.5Å; D303-R309 VanDerWaalsContact OD1-NH2 3.1Å; P306-R309 PolarHBondContact O-N 2.99Å; P307-R309 PolarHBondContact O-N 2.83Å
310E92.7Very high92.1Very high169 Ų16940 Ų4079%0.7922%0.218SC*.Hα-helixtrans-75.1-34.8-178.3-63.2179.1179.400112.5P307 L308 G312P307-E310 PolarHBondContact O-N 3.2Å; P307-E310 VanDerWaalsContact O-N 3.11Å; L308-E310 VanDerWaalsContact C-N 3.35Å; E310-G312 PolarHBondContact O-N 2.91Å
311M95Very high91.9Very high15 Ų1539.3 Ų39.37%0.07421%0.206CC..Hα-helixtrans-60.2-36.2175.8-64.5-177.2-171.900111.5T229 R230 L234 L235 L259 P307T229-M311 HydrophobicContact CG2-CB 4.34Å; R230-M311 WeakPolarHBondContact CB-O 2.95Å; L234-M311 HydrophobicContact CB-CE 4.42Å; L234-M311 HydrophobicContact CD1-CE 4.21Å; L235-M311 HydrophobicContact CD1-CE 4.01Å; L235-M311 HydrophobicContact CD1-SD 4.19Å; L235-M311 HydrophobicContact CD2-CE 4.47Å; L235-M311 HydrophobicContact CG-CE 4.13Å; L259-M311 HydrophobicContact CD1-CE 4.2Å; L259-M311 HydrophobicContact CD1-SD 3.87Å; L259-M311 HydrophobicContact CG-SD 4.19Å; P307-M311 HydrophobicContact CB-CE 4.31Å; P307-M311 WeakPolarHBondContact O-CG 3.34Å; P307-M311 PolarHBondContact O-N 3.23Å; P307-M311 VanDerWaalsContact O-N 3.07Å
312G91.1Very high91.7Very high18 Ų1839.6 Ų39.619%0.18621%0.209CC..  trans68161.3-178.600000113.4T229 R230 E310T229-G312 CarbonylContact C-O 3.6Å; T229-G312 WeakPolarHBondContact CA-O 3.32Å; T229-G312 WeakPolarHBondContact CB-O 3.44Å; R230-G312 PolarHBondContact N-O 3.2Å; E310-G312 PolarHBondContact O-N 2.91Å
313V91.9Very high91.5Very high50 Ų5039.8 Ų39.830%0.30321%0.209SC..EExtended strand (participates in β ladder)trans-85126.7-179.5-177.60000109.9L227 Y298 G315L227-V313 HydrophobicContact CB-CG1 4.43Å; L227-V313 HydrophobicContact CD2-CG1 4.48Å; Y298-V313 HydrophobicContact CE2-CG2 4.33Å; V313-G315 WeakPolarHBondContact CG1-O 3.35Å
314E90.8Very high91.5Very high101 Ų10136.1 Ų36.147%0.47219%0.19SC..EExtended strand (participates in β ladder)trans-86.5-39.2171.9-176.9174.4172.600111K228 R230 R258K228-E314 PolarHBondContact O-N 2.99Å; R230-E314 HydrophobicContact CG-CB 3.87Å; R258-E314 IonicContact CZ-OE1 2.77Å; R258-E314 IonicContact CZ-OE2 3.08Å; R258-E314 IonicContact NE-OE1 3Å; R258-E314 IonicContact NE-OE2 2.58Å; R258-E314 PolarHBondContact NE-OE2 3.11Å; R258-E314 IonicContact NH2-OE1 3.68Å; R258-E314 PolarHBondContact NH2-OE1 3.2Å; R258-E314 IonicContact NH2-OE2 3.87Å; R258-E314 PolarHBondContact NH2-OE2 3.19Å
315G86.8Confident91.5Very high31 Ų3135.8 Ų35.832%0.3219%0.188SC..EExtended strand (participates in β ladder)trans-165.5165.8179.100000112.6K228 V313K228-G315 PolarHBondContact N-O 3.34Å; K228-G315 PolarHBondContact O-N 2.71Å; V313-G315 WeakPolarHBondContact CG1-O 3.35Å
316N87.4Confident91.3Very high67 Ų6738 Ų3836%0.35820%0.2SC..EExtended strand (participates in β ladder)trans-137.7154.417759.1-3.9000110.1H226 L227 P289H226-N316 VanDerWaalsContact O-CA 3.23Å; H226-N316 WeakPolarHBondContact O-CA 3.39Å; H226-N316 WeakPolarHBondContact O-CB 3.18Å; L227-N316 HydrophobicContact CD2-CB 3.34Å; P289-N316 HydrophobicContact CB-CB 4.19Å; P289-N316 HydrophobicContact CG-CB 3.98Å; P289-N316 WeakPolarHBondContact CG-ND2 3.49Å; P289-N316 WeakPolarHBondContact CG-OD1 3.37Å
317W86.7Confident91.1Very high26 Ų2636.1 Ų36.110%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-150.7159.7176.269101.3000111.7Q225 H226 K228 I260 F286Q225-W317 WeakPolarHBondContact CA-O 3.49Å; H226-W317 HydrophobicContact CB-CD2 3.81Å; H226-W317 VanDerWaalsContact CB-CE2 3.46Å; H226-W317 HydrophobicContact CB-CE3 3.97Å; H226-W317 HydrophobicContact CB-CH2 3.47Å; H226-W317 VanDerWaalsContact CB-CH2 3.47Å; H226-W317 HydrophobicContact CB-CZ2 3.32Å; H226-W317 HydrophobicContact CB-CZ3 3.79Å; H226-W317 AromaticContact CD2-CD1 3.71Å; H226-W317 AromaticContact CD2-CE2 3.52Å; H226-W317 AromaticContact CD2-CZ2 3.92Å; H226-W317 AromaticContact CD2-NE1 3.16Å; H226-W317 PolarHBondContact CD2-NE1 3.46Å; H226-W317 AromaticContact CG-CE2 3.64Å; H226-W317 AromaticContact CG-CZ2 3.6Å; H226-W317 AromaticContact CG-NE1 3.78Å; H226-W317 PolarHBondContact N-O 3.42Å; H226-W317 AromaticContact NE2-NE1 3.93Å; H226-W317 PolarHBondContact O-N 2.74Å; K228-W317 HydrophobicContact CB-CH2 4.44Å; K228-W317 HydrophobicContact CB-CZ3 3.84Å; I260-W317 HydrophobicContact CD1-CH2 4.16Å; I260-W317 HydrophobicContact CG1-CH2 4.18Å; I260-W317 HydrophobicContact CG2-CH2 3.98Å; I260-W317 HydrophobicContact CG2-CZ2 4.49Å; F286-W317 HydrophobicContact CB-CB 3.59Å; F286-W317 HydrophobicContact CD1-CB 3.56Å; F286-W317 AromaticContact CD1-CD1 3.54Å; F286-W317 AromaticContact CD1-CG 3.75Å; F286-W317 HydrophobicContact CD1-CG 3.75Å; F286-W317 HydrophobicContact CD2-CB 3.8Å; F286-W317 HydrophobicContact CD2-CG 4.49Å; F286-W317 HydrophobicContact CE1-CB 4.15Å; F286-W317 AromaticContact CE1-CD1 3.64Å; F286-W317 AromaticContact CE1-CG 3.92Å; F286-W317 HydrophobicContact CE1-CG 3.92Å; F286-W317 HydrophobicContact CE2-CB 4.36Å; F286-W317 HydrophobicContact CG-CB 3.37Å; F286-W317 HydrophobicContact CG-CG 4.06Å; F286-W317 HydrophobicContact CZ-CG 4.38Å
318S87.1Confident91Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-112.5130.6167.6-59.60000111.9H224 Q280 L287 P289H224-S318 CarbonylContact O-C 3.56Å; H224-S318 WeakPolarHBondContact O-CA 3.48Å; Q280-S318 PolarHBondContact NE2-O 3.26Å; Q280-S318 VanDerWaalsContact NE2-O 3.09Å; L287-S318 WeakPolarHBondContact O-CB 3.31Å; L287-S318 PolarHBondContact O-N 3.4Å; P289-S318 VanDerWaalsContact CA-OG 3.31Å; P289-S318 WeakPolarHBondContact CA-OG 3.04Å
319E86.3Confident91Very high9 Ų936.6 Ų36.64%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-93.9143.1167178.7176.8-168.700109.4H46 A47 L223 H224 H226 L321H46-E319 HydrophobicContact CB-CB 4.36Å; H46-E319 HydrophobicContact CB-CG 3.93Å; A47-E319 WeakPolarHBondContact CA-OE2 3.4Å; L223-E319 CarbonylContact C-O 3.52Å; L223-E319 WeakPolarHBondContact CA-O 3.26Å; H224-E319 PolarHBondContact N-O 3.25Å; H224-E319 PolarHBondContact O-N 3.36Å; H226-E319 IonicContact NE2-OE2 2.94Å; E319-L321 HydrophobicContact CG-CD2 4.13Å
320A88.6Confident91.1Very high2 Ų229.8 Ų29.82%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-90.1119.9166.700000110L203 L223 W276 L287L203-A320 HydrophobicContact CD1-CB 4.24Å; L203-A320 WeakPolarHBondContact CD2-O 3.48Å; L223-A320 HydrophobicContact CD2-CB 4.31Å; W276-A320 HydrophobicContact CE3-CB 4.2Å; W276-A320 HydrophobicContact CH2-CB 3.76Å; W276-A320 HydrophobicContact CZ3-CB 3.3Å; L287-A320 HydrophobicContact CD1-CB 4.08Å
321L90.2Very high91.3Very high17 Ų1721.8 Ų21.89%0.08913%0.129CC..EExtended strand (participates in β ladder)trans-95.5140.8170.6-58.8-178.3000109.6Y221 V222 H224 E319 Y398Y221-L321 CarbonylContact C-O 3.48Å; Y221-L321 VanDerWaalsContact CA-O 3.25Å; Y221-L321 WeakPolarHBondContact CA-O 3.24Å; V222-L321 PolarHBondContact N-O 3Å; V222-L321 PolarHBondContact O-N 3Å; H224-L321 HydrophobicContact CB-CD1 3.64Å; H224-L321 HydrophobicContact CB-CG 3.89Å; E319-L321 HydrophobicContact CG-CD2 4.13Å; L321-Y398 HydrophobicContact CD1-CE2 4.33Å
322C91.8Very high91.3Very high7 Ų721.1 Ų21.15%0.04713%0.125CC..EExtended strand (participates in β ladder)trans-107.3116.1168.7174.10000108.5L203 L220 Y221 G345 F346L203-C322 HydrophobicContact CD2-CB 3.61Å; L220-C322 WeakPolarHBondContact O-CA 3.35Å; Y221-C322 HydrophobicContact CD1-CB 4.06Å; Y221-C322 HydrophobicContact CE1-CB 4.02Å; C322-G345 CarbonylContact O-C 3.56Å; C322-G345 VanDerWaalsContact O-CA 3.23Å; C322-G345 WeakPolarHBondContact O-CA 3.22Å; C322-F346 CarbonylContact O-C 3.51Å; C322-F346 PolarHBondContact O-N 3.13Å
323M93.7Very high91.4Very high5 Ų521 Ų213%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-134162.1-17756.9168.937.800112.3L220 V222 A347 T394 Y398L220-M323 PolarHBondContact N-O 2.97Å; L220-M323 PolarHBondContact O-N 3.01Å; V222-M323 HydrophobicContact CB-SD 4.49Å; V222-M323 HydrophobicContact CG2-CG 4.01Å; V222-M323 HydrophobicContact CG2-SD 3.77Å; M323-A347 HydrophobicContact CB-CB 4.32Å; M323-A347 HydrophobicContact CE-CB 3.66Å; M323-T394 HydrophobicContact CG-CG2 3.92Å; M323-T394 HydrophobicContact SD-CG2 3.67Å; M323-Y398 HydrophobicContact CE-CD2 4.12Å
324T95Very high91.4Very high0 Ų019.9 Ų19.90%011%0.114CC..  trans-88.3169.1169.259.10000110.8L219 D326 G327 F328 L330 F381L219-T324 HydrophobicContact CD2-CG2 3.8Å; T324-D326 VanDerWaalsContact C-N 3.25Å; T324-D326 WeakPolarHBondContact CB-OD1 3.48Å; T324-D326 PolarHBondContact O-N 2.84Å; T324-D326 PolarHBondContact OG1-OD1 3.35Å; T324-G327 PolarHBondContact O-N 3.1Å; T324-G327 PolarHBondContact OG1-N 2.91Å; T324-G327 VanDerWaalsContact OG1-N 3.15Å; T324-F328 WeakPolarHBondContact CB-O 3Å; T324-F328 WeakPolarHBondContact CG2-O 3.34Å; T324-F328 PolarHBondContact OG1-N 3.44Å; T324-F328 PolarHBondContact OG1-O 3.19Å; T324-L330 HydrophobicContact CG2-CD1 4.41Å; T324-L330 HydrophobicContact CG2-CD2 3.58Å; T324-L330 HydrophobicContact CG2-CG 3.76Å; T324-F381 HydrophobicContact CG2-CE2 4.07Å
325P94Very high91Very high0 Ų017.1 Ų17.10%010%0.102CC..THydrogen-bonded Turntrans-54.2-37172.3-30.336.4000114.5P218 L220 F381 F389 R390 K393 T394 S397P218-P325 VanDerWaalsContact O-CD 3.28Å; P218-P325 WeakPolarHBondContact O-CD 3.49Å; L220-P325 HydrophobicContact CD1-CG 4.26Å; P325-F381 HydrophobicContact CB-CE1 3.74Å; P325-F381 HydrophobicContact CB-CZ 3.97Å; P325-F381 HydrophobicContact CG-CD1 4.26Å; P325-F381 HydrophobicContact CG-CE1 3.79Å; P325-F381 HydrophobicContact CG-CZ 4.04Å; P325-F389 HydrophobicContact CB-CE1 4.03Å; P325-F389 HydrophobicContact CG-CE1 4.45Å; P325-R390 HydrophobicContact CG-CB 4.14Å; P325-R390 HydrophobicContact CG-CG 3.91Å; P325-K393 HydrophobicContact CB-CB 3.99Å; P325-K393 HydrophobicContact CB-CG 3.82Å; P325-K393 WeakPolarHBondContact O-CG 3.25Å; P325-T394 WeakPolarHBondContact CA-OG1 3.45Å; P325-S397 VanDerWaalsContact O-CB 3.28Å; P325-S397 WeakPolarHBondContact O-CB 3.29Å; P325-S397 PolarHBondContact O-OG 2.94Å
326D90.9Very high90.3Very high49 Ų4917.7 Ų17.726%0.26210%0.099SC..THydrogen-bonded Turntrans-90.7-6.3-178.262.55.8000114.2T324 F328 R380 F381T324-D326 VanDerWaalsContact C-N 3.25Å; T324-D326 WeakPolarHBondContact CB-OD1 3.48Å; T324-D326 PolarHBondContact O-N 2.84Å; T324-D326 PolarHBondContact OG1-OD1 3.35Å; D326-F328 VanDerWaalsContact C-N 3.28Å; D326-F328 HydrophobicContact CB-CD2 4.26Å; D326-F328 PolarHBondContact O-N 3.02Å; D326-F328 PolarHBondContact OD1-N 3.48Å; D326-R380 IonicContact OD1-CZ 3.2Å; D326-R380 IonicContact OD1-NE 3.68Å; D326-R380 IonicContact OD1-NH2 3.31Å; D326-R380 PolarHBondContact OD1-NH2 3.48Å; D326-R380 IonicContact OD2-CZ 3.91Å; D326-R380 IonicContact OD2-NE 2.82Å; D326-R380 PolarHBondContact OD2-NE 3.33Å; D326-R380 IonicContact OD2-NH2 2.86Å; D326-R380 PolarHBondContact OD2-NH2 3.27Å; D326-F381 HydrophobicContact CB-CZ 4.03Å; D326-F381 VanDerWaalsContact CG-CZ 3.42Å; D326-F381 WeakPolarHBondContact OD2-CZ 3.36Å
327G90.8Very high89.4Confident24 Ų2417.3 Ų17.325%0.24710%0.097CC..SBendtrans80.7-3.5-178.200000115.3T324T324-G327 PolarHBondContact O-N 3.1Å; T324-G327 PolarHBondContact OG1-N 2.91Å; T324-G327 VanDerWaalsContact OG1-N 3.15Å
328F91.8Very high88.7Confident35 Ų3517.9 Ų17.915%0.15410%0.101CC..  trans-92.1145.5176.2-65-71.2000111.5I57 A58 F61 T324 D326 E375 R380I57-F328 HydrophobicContact CB-CZ 4.43Å; I57-F328 HydrophobicContact CG2-CZ 4.33Å; A58-F328 HydrophobicContact CB-CD1 4.33Å; A58-F328 HydrophobicContact CB-CE1 3.41Å; A58-F328 VanDerWaalsContact CB-CE1 3.41Å; A58-F328 HydrophobicContact CB-CZ 3.61Å; F61-F328 HydrophobicContact CD2-CD1 4.27Å; F61-F328 HydrophobicContact CD2-CE1 4.47Å; F61-F328 AromaticContact CE2-CD1 3.92Å; F61-F328 HydrophobicContact CE2-CD1 3.92Å; F61-F328 HydrophobicContact CZ-CD1 4.08Å; T324-F328 WeakPolarHBondContact CB-O 3Å; T324-F328 WeakPolarHBondContact CG2-O 3.34Å; T324-F328 PolarHBondContact OG1-N 3.44Å; T324-F328 PolarHBondContact OG1-O 3.19Å; D326-F328 VanDerWaalsContact C-N 3.28Å; D326-F328 HydrophobicContact CB-CD2 4.26Å; D326-F328 PolarHBondContact O-N 3.02Å; D326-F328 PolarHBondContact OD1-N 3.48Å; F328-E375 WeakPolarHBondContact CB-O 3.37Å; F328-E375 HydrophobicContact CG-CB 4.44Å; F328-R380 PolarHBondContact O-NH2 2.97Å
329P95.4Very high88.8Confident0 Ų020.4 Ų20.40%011%0.114CC..  trans-66.2169.3-179.929.5-37.2000113.1F61 V331 L344 G345 F346 A376 R380F61-P329 HydrophobicContact CE1-CG 3.67Å; F61-P329 HydrophobicContact CZ-CG 3.8Å; P329-V331 HydrophobicContact CB-CG2 3.95Å; P329-V331 HydrophobicContact CG-CG2 3.99Å; P329-L344 CarbonylContact C-O 3.52Å; P329-L344 WeakPolarHBondContact CA-O 3.5Å; P329-L344 WeakPolarHBondContact CB-O 3.46Å; P329-G345 WeakPolarHBondContact CA-O 3.26Å; P329-F346 HydrophobicContact CB-CD1 3.51Å; P329-F346 HydrophobicContact CB-CD2 4.4Å; P329-F346 HydrophobicContact CB-CE1 3.37Å; P329-F346 HydrophobicContact CB-CE2 4.3Å; P329-F346 HydrophobicContact CB-CG 4.03Å; P329-F346 HydrophobicContact CB-CZ 3.78Å; P329-F346 HydrophobicContact CG-CD1 3.81Å; P329-F346 HydrophobicContact CG-CE1 3.52Å; P329-F346 HydrophobicContact CG-CZ 4.28Å; P329-A376 VanDerWaalsContact O-CA 3.29Å; P329-A376 WeakPolarHBondContact O-CA 3.47Å; P329-R380 PolarHBondContact O-NH1 3.39Å; P329-R380 PolarHBondContact O-NH2 3.22Å; P329-R380 VanDerWaalsContact O-NH2 3.11Å
330L96.1Very high89.2Confident0 Ų020 Ų200%011%0.112CC..EExtended strand (participates in β ladder)trans-102.3112.7167.3-50.7-178.7000108.1L217 P218 L219 T324 I342 A343 L344 A376 F381L217-L330 HydrophobicContact CB-CD1 4.39Å; L217-L330 HydrophobicContact CD2-CD1 3.88Å; P218-L330 HydrophobicContact CG-CD1 3.97Å; P218-L330 HydrophobicContact CG-CD2 4.41Å; L219-L330 HydrophobicContact CD2-CD1 3.98Å; L219-L330 HydrophobicContact CD2-CG 4.29Å; L219-L330 HydrophobicContact CG-CD1 4.17Å; T324-L330 HydrophobicContact CG2-CD1 4.41Å; T324-L330 HydrophobicContact CG2-CD2 3.58Å; T324-L330 HydrophobicContact CG2-CG 3.76Å; L330-I342 HydrophobicContact CB-CD1 3.66Å; L330-I342 HydrophobicContact CB-CG1 4.33Å; L330-I342 HydrophobicContact CD1-CD1 4.19Å; L330-A343 WeakPolarHBondContact O-CA 3.28Å; L330-L344 PolarHBondContact N-O 3.46Å; L330-L344 PolarHBondContact O-N 2.99Å; L330-A376 CarbonylContact C-O 3.22Å; L330-A376 WeakPolarHBondContact CA-O 3.12Å; L330-F381 HydrophobicContact CD2-CD2 4.18Å; L330-F381 HydrophobicContact CD2-CE2 4.31Å
331V96.3Very high89.6Confident2 Ų220.7 Ų20.71%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-136.5118.8-173.2-175.80000110.7P329 I342 F346 I356 Y359 L360 A376 P378P329-V331 HydrophobicContact CB-CG2 3.95Å; P329-V331 HydrophobicContact CG-CG2 3.99Å; V331-I342 WeakPolarHBondContact CA-O 3.43Å; V331-F346 HydrophobicContact CG2-CE1 4.36Å; V331-F346 HydrophobicContact CG2-CZ 3.91Å; V331-I356 HydrophobicContact CB-CD1 4.48Å; V331-I356 HydrophobicContact CG1-CD1 4.08Å; V331-I356 HydrophobicContact CG1-CG2 4.1Å; V331-I356 HydrophobicContact CG2-CD1 3.97Å; V331-I356 HydrophobicContact CG2-CG2 4.45Å; V331-Y359 HydrophobicContact CG1-CD1 4.23Å; V331-Y359 HydrophobicContact CG1-CE1 4.48Å; V331-L360 HydrophobicContact CG1-CD1 3.95Å; V331-L360 HydrophobicContact CG1-CD2 3.78Å; V331-L360 HydrophobicContact CG1-CG 3.79Å; V331-A376 HydrophobicContact CB-CB 3.93Å; V331-A376 HydrophobicContact CG2-CB 4.17Å; V331-A376 PolarHBondContact N-O 2.78Å; V331-P378 WeakPolarHBondContact O-CD 3.5Å
332G95Very high89.9Confident0 Ų019.9 Ų19.90%011%0.11CC..EExtended strand (participates in β ladder)trans137.1-168.3175.700000113L334 W341 I342G332-L334 PolarHBondContact O-N 3.45Å; G332-W341 WeakPolarHBondContact O-CA 3.39Å; G332-I342 PolarHBondContact N-O 2.67Å; G332-I342 PolarHBondContact O-N 2.7Å
333P93.3Very high90.2Very high15 Ų1519.7 Ų19.710%0.09711%0.109CC..EExtended strand (participates in β ladder)trans-73.8124.3176.625.7-23.6000109.9Y340 W341 W363 R543P333-Y340 WeakPolarHBondContact CA-O 3.5Å; P333-W341 HydrophobicContact CB-CD2 4.27Å; P333-W341 HydrophobicContact CB-CE3 3.97Å; P333-W341 HydrophobicContact CB-CH2 4.4Å; P333-W341 HydrophobicContact CB-CZ3 4.05Å; P333-W341 HydrophobicContact CG-CE3 4.15Å; P333-W341 HydrophobicContact CG-CH2 4.26Å; P333-W341 HydrophobicContact CG-CZ3 3.82Å; P333-W363 HydrophobicContact CG-CH2 3.98Å; P333-W363 HydrophobicContact CG-CZ2 3.79Å; P333-R543 PolarHBondContact O-NH1 3.02Å
334L91.7Very high90.4Very high28 Ų2819.4 Ų19.415%0.14711%0.108CC..SBendtrans-83.7-38.3177.6178.862.8000111.6V209 L213 Y215 L217 G332 Y340 I342 P378V209-L334 HydrophobicContact CG1-CD2 3.62Å; L213-L334 HydrophobicContact CD1-CD2 3.75Å; L213-L334 HydrophobicContact CD1-CG 4.48Å; Y215-L334 HydrophobicContact CD1-CD1 4.3Å; Y215-L334 HydrophobicContact CD1-CD2 4.35Å; Y215-L334 HydrophobicContact CE1-CD1 3.99Å; L217-L334 HydrophobicContact CD2-CD1 4.12Å; L217-L334 HydrophobicContact CD2-CD2 4.2Å; G332-L334 PolarHBondContact O-N 3.45Å; L334-Y340 HydrophobicContact CB-CD1 4.27Å; L334-Y340 HydrophobicContact CD2-CD1 4.3Å; L334-Y340 HydrophobicContact CD2-CE1 4.3Å; L334-Y340 PolarHBondContact N-O 3Å; L334-I342 HydrophobicContact CB-CD1 4.43Å; L334-I342 HydrophobicContact CB-CG1 4.44Å; L334-I342 HydrophobicContact CB-CG2 4.13Å; L334-I342 HydrophobicContact CD1-CD1 4.3Å; L334-I342 HydrophobicContact CD2-CD1 4.47Å; L334-I342 HydrophobicContact CD2-CG2 4.06Å; L334-P378 HydrophobicContact CD1-CB 3.95Å
335L81.6Confident90.3Very high42 Ų4219.5 Ų19.522%0.2211%0.109CC..SBendtrans-99.4149.8178.3-64.5-179.9000111.5W183 L213 N337 E338 Y340W183-L335 HydrophobicContact CH2-CD1 4.22Å; W183-L335 HydrophobicContact CZ2-CD1 4.04Å; L213-L335 HydrophobicContact CD1-CD1 3.89Å; L213-L335 HydrophobicContact CD1-CD2 3.95Å; L213-L335 HydrophobicContact CD1-CG 3.9Å; L213-L335 HydrophobicContact CD2-CD1 3.66Å; L213-L335 HydrophobicContact CG-CD1 4.44Å; L335-N337 PolarHBondContact O-N 3.43Å; L335-E338 HydrophobicContact CB-CB 4.19Å; L335-E338 HydrophobicContact CD1-CB 3.9Å; L335-E338 HydrophobicContact CD1-CG 4.22Å; L335-E338 WeakPolarHBondContact CD1-OE2 3.46Å; L335-Y340 HydrophobicContact CD1-CG 4.25Å
336T73.7Confident90.3Very high43 Ų4320.6 Ų20.626%0.26411%0.113SC..SBendtrans-71.3-26-17551.90000114.2R543 T546 F547T336-R543 HydrophobicContact CG2-CB 4.24Å; T336-R543 HydrophobicContact CG2-CG 4.1Å; T336-T546 HydrophobicContact CG2-CG2 4.09Å; T336-F547 WeakPolarHBondContact O-CA 3.33Å; T336-F547 VanDerWaalsContact O-CB 3.23Å; T336-F547 WeakPolarHBondContact O-CB 3.5Å; T336-F547 WeakPolarHBondContact O-CD2 3.31Å
337N66.7Low90.1Very high59 Ų5919.4 Ų19.432%0.31611%0.111SC..SBendtrans-146.711-164.760.8-43.7000114.4L335 L550L335-N337 PolarHBondContact O-N 3.43Å; N337-L550 HydrophobicContact CB-CD1 3.5Å
338E73Confident89.8Confident39 Ų3919.8 Ų19.818%0.18211%0.107CC..SBendtrans-123.814.5-170.4-55.6-175.7178.700113Y177 W183 L335 Y340Y177-E338 HydrophobicContact CD2-CB 4.2Å; Y177-E338 HydrophobicContact CD2-CG 4.16Å; Y177-E338 HydrophobicContact CE1-CG 4.44Å; Y177-E338 HydrophobicContact CE2-CB 3.95Å; Y177-E338 HydrophobicContact CE2-CG 3.8Å; W183-E338 HydrophobicContact CZ2-CB 3.73Å; W183-E338 VanDerWaalsContact CZ2-OE2 3.27Å; W183-E338 WeakPolarHBondContact CZ2-OE2 3.44Å; W183-E338 PolarHBondContact NE1-O 2.87Å; L335-E338 HydrophobicContact CB-CB 4.19Å; L335-E338 HydrophobicContact CD1-CB 3.9Å; L335-E338 HydrophobicContact CD1-CG 4.22Å; L335-E338 WeakPolarHBondContact CD1-OE2 3.46Å; E338-Y340 PolarHBondContact O-N 3.02Å
339N89.3Confident89.5Confident53 Ų5319.4 Ų19.428%0.28311%0.107SC..  trans49.636.5176.9-62.7-27.4000113.5A195 N196 I197 W341A195-N339 WeakPolarHBondContact O-CB 3.35Å; A195-N339 PolarHBondContact O-ND2 2.7Å; N196-N339 WeakPolarHBondContact OD1-CB 3.43Å; I197-N339 PolarHBondContact N-O 3.13Å; I197-N339 VanDerWaalsContact N-O 3.13Å; N339-W341 VanDerWaalsContact C-CD1 3.49Å; N339-W341 PolarHBondContact O-NE1 3.44Å
340Y94.4Very high89.3Confident0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-100.4105.4178.6-165.4-81.2000108.8N175 W183 I197 I199 V209 T212 L213 P333 L334 L335 E338 I342N175-Y340 WeakPolarHBondContact ND2-CE2 3.49Å; N175-Y340 PolarHBondContact ND2-OH 2.77Å; W183-Y340 HydrophobicContact CD2-CD2 4.21Å; W183-Y340 AromaticContact CE2-CD2 3.78Å; W183-Y340 HydrophobicContact CE3-CD2 4.24Å; W183-Y340 HydrophobicContact CE3-CE2 4.39Å; W183-Y340 AromaticContact CH2-CD2 3.53Å; W183-Y340 HydrophobicContact CH2-CD2 3.53Å; W183-Y340 HydrophobicContact CH2-CE2 4.01Å; W183-Y340 HydrophobicContact CH2-CG 4.42Å; W183-Y340 AromaticContact CZ2-CD2 3.43Å; W183-Y340 HydrophobicContact CZ2-CD2 3.43Å; W183-Y340 VanDerWaalsContact CZ2-CD2 3.43Å; W183-Y340 HydrophobicContact CZ2-CE2 4.33Å; W183-Y340 HydrophobicContact CZ2-CG 4.12Å; W183-Y340 AromaticContact CZ3-CD2 3.92Å; W183-Y340 HydrophobicContact CZ3-CD2 3.92Å; W183-Y340 HydrophobicContact CZ3-CE2 4.03Å; I197-Y340 HydrophobicContact CD1-CE2 4.39Å; I197-Y340 HydrophobicContact CG2-CD2 3.24Å; I197-Y340 HydrophobicContact CG2-CE2 3.7Å; I197-Y340 HydrophobicContact CG2-CG 3.95Å; I199-Y340 HydrophobicContact CD1-CE2 4.41Å; I199-Y340 HydrophobicContact CG1-CE1 3.65Å; I199-Y340 HydrophobicContact CG1-CE2 4.33Å; I199-Y340 VanDerWaalsContact CG1-CZ 3.5Å; I199-Y340 VanDerWaalsContact CG1-OH 3.28Å; I199-Y340 WeakPolarHBondContact CG1-OH 3.42Å; V209-Y340 HydrophobicContact CG2-CE1 4.1Å; T212-Y340 HydrophobicContact CG2-CE2 4.06Å; L213-Y340 HydrophobicContact CD1-CD1 3.99Å; L213-Y340 HydrophobicContact CD1-CE1 3.89Å; L213-Y340 HydrophobicContact CD1-CG 4.41Å; P333-Y340 WeakPolarHBondContact CA-O 3.5Å; L334-Y340 HydrophobicContact CB-CD1 4.27Å; L334-Y340 HydrophobicContact CD2-CD1 4.3Å; L334-Y340 HydrophobicContact CD2-CE1 4.3Å; L334-Y340 PolarHBondContact N-O 3Å; L335-Y340 HydrophobicContact CD1-CG 4.25Å; E338-Y340 PolarHBondContact O-N 3.02Å; Y340-I342 HydrophobicContact CD1-CG2 4.26Å; Y340-I342 HydrophobicContact CE1-CG2 4.02Å
341W96.6Very high89.1Confident17 Ų1719.5 Ų19.56%0.06411%0.107CC..EExtended strand (participates in β ladder)trans-105147.6-173.1-52.683.2000110.3N196 I197 V198 I199 G332 P333 N339 L360 W363 I364N196-W341 PolarHBondContact OD1-NE1 2.87Å; N196-W341 VanDerWaalsContact OD1-NE1 3.08Å; I197-W341 PolarHBondContact O-N 3.18Å; V198-W341 CarbonylContact C-O 3.2Å; V198-W341 WeakPolarHBondContact CA-O 3.27Å; V198-W341 HydrophobicContact CB-CB 4.32Å; V198-W341 HydrophobicContact CG1-CB 4.18Å; V198-W341 HydrophobicContact CG2-CB 4.02Å; V198-W341 HydrophobicContact CG2-CG 4.36Å; I199-W341 PolarHBondContact N-O 2.84Å; G332-W341 WeakPolarHBondContact O-CA 3.39Å; P333-W341 HydrophobicContact CB-CD2 4.27Å; P333-W341 HydrophobicContact CB-CE3 3.97Å; P333-W341 HydrophobicContact CB-CH2 4.4Å; P333-W341 HydrophobicContact CB-CZ3 4.05Å; P333-W341 HydrophobicContact CG-CE3 4.15Å; P333-W341 HydrophobicContact CG-CH2 4.26Å; P333-W341 HydrophobicContact CG-CZ3 3.82Å; N339-W341 VanDerWaalsContact C-CD1 3.49Å; N339-W341 PolarHBondContact O-NE1 3.44Å; W341-L360 HydrophobicContact CE3-CD2 4.18Å; W341-W363 AromaticContact CH2-CD1 3.85Å; W341-W363 HydrophobicContact CH2-CD2 4.21Å; W341-W363 HydrophobicContact CH2-CG 4.03Å; W341-W363 AromaticContact CH2-NE1 3.94Å; W341-W363 HydrophobicContact CZ3-CB 4.43Å; W341-W363 AromaticContact CZ3-CD2 3.65Å; W341-W363 HydrophobicContact CZ3-CD2 3.65Å; W341-W363 AromaticContact CZ3-CE2 3.89Å; W341-W363 HydrophobicContact CZ3-CE3 4.01Å; W341-W363 AromaticContact CZ3-CG 3.82Å; W341-W363 HydrophobicContact CZ3-CG 3.82Å; W341-W363 HydrophobicContact CZ3-CZ2 4.49Å; W341-I364 HydrophobicContact CD2-CD1 4.3Å; W341-I364 HydrophobicContact CD2-CG1 3.88Å; W341-I364 HydrophobicContact CE3-CG1 4.15Å; W341-I364 HydrophobicContact CG-CD1 4.38Å; W341-I364 HydrophobicContact CG-CG1 4.43Å; W341-I364 HydrophobicContact CH2-CG1 4.11Å; W341-I364 HydrophobicContact CZ2-CG1 3.83Å; W341-I364 HydrophobicContact CZ3-CG1 4.24Å
342I97.2Very high88.9Confident0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-128148.717367.4172.2000110.9I199 V209 L217 L330 V331 G332 L334 Y340 L344 P378I199-I342 HydrophobicContact CB-CG2 4.23Å; V209-I342 HydrophobicContact CG2-CG2 4.17Å; L217-I342 HydrophobicContact CD1-CD1 4.4Å; L217-I342 HydrophobicContact CD2-CD1 3.92Å; L330-I342 HydrophobicContact CB-CD1 3.66Å; L330-I342 HydrophobicContact CB-CG1 4.33Å; L330-I342 HydrophobicContact CD1-CD1 4.19Å; V331-I342 WeakPolarHBondContact CA-O 3.43Å; G332-I342 PolarHBondContact N-O 2.67Å; G332-I342 PolarHBondContact O-N 2.7Å; L334-I342 HydrophobicContact CB-CD1 4.43Å; L334-I342 HydrophobicContact CB-CG1 4.44Å; L334-I342 HydrophobicContact CB-CG2 4.13Å; L334-I342 HydrophobicContact CD1-CD1 4.3Å; L334-I342 HydrophobicContact CD2-CD1 4.47Å; L334-I342 HydrophobicContact CD2-CG2 4.06Å; Y340-I342 HydrophobicContact CD1-CG2 4.26Å; Y340-I342 HydrophobicContact CE1-CG2 4.02Å; I342-L344 HydrophobicContact CB-CD1 4.26Å; I342-L344 HydrophobicContact CB-CG 4.39Å; I342-L344 HydrophobicContact CG2-CD1 4.47Å; I342-P378 HydrophobicContact CD1-CB 3.87Å; I342-P378 HydrophobicContact CD1-CG 3.96Å; I342-P378 HydrophobicContact CG1-CB 4.28Å; I342-P378 HydrophobicContact CG1-CG 3.84Å
343A97.7Very high88.9Confident2 Ų220.3 Ų20.32%0.01711%0.11CC..EExtended strand (participates in β ladder)trans-139.987.316700000107.1I15 I19 I199 L330 F346 L360I15-A343 HydrophobicContact CG2-CB 3.75Å; I19-A343 HydrophobicContact CD1-CB 3.95Å; I199-A343 PolarHBondContact O-N 2.68Å; L330-A343 WeakPolarHBondContact O-CA 3.28Å; A343-F346 VanDerWaalsContact C-CE2 3.42Å; A343-F346 HydrophobicContact CB-CE2 4.14Å; A343-F346 HydrophobicContact CB-CZ 4.32Å; A343-F346 WeakPolarHBondContact O-CE2 3.25Å; A343-L360 HydrophobicContact CB-CD1 3.8Å
344L97Very high89Confident0 Ų019.6 Ų19.60%011%0.105CC..EExtended strand (participates in β ladder)trans-138.4168.7-170.2-62.4174.4000111.5I199 V209 L217 L219 P329 L330 I342I199-L344 HydrophobicContact CG2-CD1 4.14Å; I199-L344 HydrophobicContact CG2-CD2 4.4Å; V209-L344 HydrophobicContact CG2-CD1 4.24Å; L217-L344 HydrophobicContact CD1-CD1 3.69Å; L219-L344 HydrophobicContact CD1-CB 3.88Å; L219-L344 HydrophobicContact CD1-CD1 4.27Å; P329-L344 CarbonylContact C-O 3.52Å; P329-L344 WeakPolarHBondContact CA-O 3.5Å; P329-L344 WeakPolarHBondContact CB-O 3.46Å; L330-L344 PolarHBondContact N-O 3.46Å; L330-L344 PolarHBondContact O-N 2.99Å; I342-L344 HydrophobicContact CB-CD1 4.26Å; I342-L344 HydrophobicContact CB-CG 4.39Å; I342-L344 HydrophobicContact CG2-CD1 4.47Å
345G94.8Very high89.2Confident2 Ų218.4 Ų18.42%0.02110%0.1CC..  trans77.430.9173.200000115.4L219 C322 P329 A347L219-G345 VanDerWaalsContact CD2-CA 3.45Å; C322-G345 CarbonylContact O-C 3.56Å; C322-G345 VanDerWaalsContact O-CA 3.23Å; C322-G345 WeakPolarHBondContact O-CA 3.22Å; P329-G345 WeakPolarHBondContact CA-O 3.26Å; G345-A347 PolarHBondContact O-N 2.9Å
346F92.5Very high90Very high22 Ų2216.4 Ų16.410%0.0969%0.089CC..  trans-82.3110.4179.3-64.6-81.5000111.7I15 C322 P329 V331 A343 N349 Y352 I356I15-F346 HydrophobicContact CB-CE2 4.47Å; I15-F346 HydrophobicContact CD1-CD1 4.19Å; I15-F346 HydrophobicContact CD1-CD2 4.01Å; I15-F346 HydrophobicContact CD1-CE1 3.98Å; I15-F346 HydrophobicContact CD1-CE2 3.77Å; I15-F346 HydrophobicContact CD1-CG 4.22Å; I15-F346 HydrophobicContact CD1-CZ 3.78Å; I15-F346 HydrophobicContact CG1-CD2 3.84Å; I15-F346 HydrophobicContact CG1-CE2 3.75Å; I15-F346 HydrophobicContact CG1-CG 4.42Å; I15-F346 HydrophobicContact CG1-CZ 4.28Å; I15-F346 HydrophobicContact CG2-CE2 3.98Å; I15-F346 HydrophobicContact CG2-CZ 4.34Å; C322-F346 CarbonylContact O-C 3.51Å; C322-F346 PolarHBondContact O-N 3.13Å; P329-F346 HydrophobicContact CB-CD1 3.51Å; P329-F346 HydrophobicContact CB-CD2 4.4Å; P329-F346 HydrophobicContact CB-CE1 3.37Å; P329-F346 HydrophobicContact CB-CE2 4.3Å; P329-F346 HydrophobicContact CB-CG 4.03Å; P329-F346 HydrophobicContact CB-CZ 3.78Å; P329-F346 HydrophobicContact CG-CD1 3.81Å; P329-F346 HydrophobicContact CG-CE1 3.52Å; P329-F346 HydrophobicContact CG-CZ 4.28Å; V331-F346 HydrophobicContact CG2-CE1 4.36Å; V331-F346 HydrophobicContact CG2-CZ 3.91Å; A343-F346 VanDerWaalsContact C-CE2 3.42Å; A343-F346 HydrophobicContact CB-CE2 4.14Å; A343-F346 HydrophobicContact CB-CZ 4.32Å; A343-F346 WeakPolarHBondContact O-CE2 3.25Å; F346-N349 HydrophobicContact CB-CB 3.76Å; F346-N349 HydrophobicContact CG-CB 4.35Å; F346-Y352 AromaticContact CD1-CD2 3.99Å; F346-Y352 HydrophobicContact CD1-CD2 3.99Å; F346-Y352 HydrophobicContact CE1-CD2 4.33Å; F346-I356 HydrophobicContact CE1-CG1 4.12Å; F346-I356 HydrophobicContact CZ-CG1 4.39Å; F346-I356 HydrophobicContact CZ-CG2 4.13Å
347A86.6Confident91.1Very high25 Ų2514.3 Ų14.321%0.2078%0.077CC..SBendtrans-72.7-36.6164.900000111.8M323 G345M323-A347 HydrophobicContact CB-CB 4.32Å; M323-A347 HydrophobicContact CE-CB 3.66Å; G345-A347 PolarHBondContact O-N 2.9Å
348D84.8Confident92.6Very high32 Ų3214.9 Ų14.917%0.1718%0.076CC..SBendtrans-118.7101.9167.9178.7-8.2000107.9L350 S351 Y352D348-L350 PolarHBondContact OD1-N 3.04Å; D348-S351 VanDerWaalsContact CG-CB 3.49Å; D348-S351 VanDerWaalsContact CG-OG 3.27Å; D348-S351 WeakPolarHBondContact OD1-CB 3.2Å; D348-S351 PolarHBondContact OD1-N 2.58Å; D348-S351 PolarHBondContact OD1-OG 3.08Å; D348-S351 WeakPolarHBondContact OD2-CB 3.28Å; D348-S351 PolarHBondContact OD2-OG 2.78Å; D348-Y352 HydrophobicContact CB-CE2 4.21Å; D348-Y352 WeakPolarHBondContact O-CD2 3.36Å; D348-Y352 WeakPolarHBondContact O-CE2 3.31Å
349N85.6Confident93.7Very high27 Ų2713.4 Ų13.414%0.1447%0.069CC..  trans-86.6-33.2-179.255.65.8000112.3V14 I15 F346 A353V14-N349 HydrophobicContact CG1-CB 4.27Å; I15-N349 HydrophobicContact CD1-CB 4.45Å; I15-N349 HydrophobicContact CG1-CB 4.43Å; F346-N349 HydrophobicContact CB-CB 3.76Å; F346-N349 HydrophobicContact CG-CB 4.35Å; N349-A353 VanDerWaalsContact O-CB 3.26Å; N349-A353 WeakPolarHBondContact O-CB 3.4Å; N349-A353 PolarHBondContact O-N 2.84Å
350L92Very high94.1Very high1 Ų110.9 Ų10.91%0.0056%0.056CC..Hα-helixtrans-72.7-44.6-171.4-62.4170000111.8V14 A47 G49 L51 Y72 V146 A148 L151 D348 Y352 A353V14-L350 HydrophobicContact CG1-CD2 4.25Å; V14-L350 HydrophobicContact CG2-CD2 4.36Å; A47-L350 HydrophobicContact CB-CD1 4.07Å; G49-L350 VanDerWaalsContact CA-CD1 3.41Å; L51-L350 HydrophobicContact CD1-CB 4.21Å; Y72-L350 WeakPolarHBondContact CE2-O 3.46Å; Y72-L350 PolarHBondContact OH-O 3.08Å; V146-L350 HydrophobicContact CG2-CB 4.31Å; V146-L350 HydrophobicContact CG2-CD1 3.73Å; V146-L350 HydrophobicContact CG2-CD2 4.11Å; V146-L350 HydrophobicContact CG2-CG 4.25Å; A148-L350 HydrophobicContact CB-CD1 4.02Å; A148-L350 HydrophobicContact CB-CD2 3.6Å; A148-L350 HydrophobicContact CB-CG 4.42Å; L151-L350 HydrophobicContact CD2-CD2 4.2Å; D348-L350 PolarHBondContact OD1-N 3.04Å; L350-Y352 PolarHBondContact O-N 3.42Å; L350-A353 PolarHBondContact O-N 3.41Å
351S91.7Very high94.3Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-62.7-33.1179.5-590000112L51 V65 S68 D348L51-S351 VanDerWaalsContact CD1-CA 3.45Å; V65-S351 WeakPolarHBondContact CA-O 3.3Å; S68-S351 WeakPolarHBondContact CB-O 3.2Å; S68-S351 PolarHBondContact OG-O 3.39Å; D348-S351 VanDerWaalsContact CG-CB 3.49Å; D348-S351 VanDerWaalsContact CG-OG 3.27Å; D348-S351 WeakPolarHBondContact OD1-CB 3.2Å; D348-S351 PolarHBondContact OD1-N 2.58Å; D348-S351 PolarHBondContact OD1-OG 3.08Å; D348-S351 WeakPolarHBondContact OD2-CB 3.28Å; D348-S351 PolarHBondContact OD2-OG 2.78Å
352Y91.9Very high94.3Very high19 Ų1911 Ų118%0.0756%0.058CC..Hα-helixtrans-94.5-21.2-177.1-54-34.7000114.2H55 F61 V65 F346 D348 L350 G354 G355 I356H55-Y352 AromaticContact CD2-CE1 3.88Å; H55-Y352 AromaticContact CD2-CZ 3.93Å; H55-Y352 PolarHBondContact CD2-OH 2.74Å; H55-Y352 AromaticContact CE1-CE1 3.94Å; H55-Y352 AromaticContact NE2-CE1 3.26Å; H55-Y352 VanDerWaalsContact NE2-CE1 3.26Å; H55-Y352 WeakPolarHBondContact NE2-CE1 3.23Å; H55-Y352 AromaticContact NE2-CZ 3.34Å; H55-Y352 VanDerWaalsContact NE2-CZ 3.34Å; H55-Y352 PolarHBondContact NE2-OH 3.14Å; F61-Y352 HydrophobicContact CB-CE1 4.25Å; F61-Y352 AromaticContact CD1-CD1 3.78Å; F61-Y352 HydrophobicContact CD1-CD1 3.78Å; F61-Y352 HydrophobicContact CD1-CD2 4.21Å; F61-Y352 AromaticContact CD1-CE1 3.59Å; F61-Y352 HydrophobicContact CD1-CE1 3.59Å; F61-Y352 HydrophobicContact CD1-CE2 4.02Å; F61-Y352 HydrophobicContact CD1-CG 4.12Å; F61-Y352 AromaticContact CD1-CZ 3.73Å; F61-Y352 HydrophobicContact CE1-CD1 4.47Å; F61-Y352 HydrophobicContact CE1-CD2 4.17Å; F61-Y352 HydrophobicContact CE1-CE1 4.45Å; F61-Y352 HydrophobicContact CE1-CE2 4.12Å; F61-Y352 HydrophobicContact CE1-CG 4.37Å; F61-Y352 HydrophobicContact CG-CE1 4.38Å; V65-Y352 HydrophobicContact CG2-CD1 3.54Å; V65-Y352 HydrophobicContact CG2-CE1 3.47Å; V65-Y352 VanDerWaalsContact CG2-CE1 3.47Å; F346-Y352 AromaticContact CD1-CD2 3.99Å; F346-Y352 HydrophobicContact CD1-CD2 3.99Å; F346-Y352 HydrophobicContact CE1-CD2 4.33Å; D348-Y352 HydrophobicContact CB-CE2 4.21Å; D348-Y352 WeakPolarHBondContact O-CD2 3.36Å; D348-Y352 WeakPolarHBondContact O-CE2 3.31Å; L350-Y352 PolarHBondContact O-N 3.42Å; Y352-G354 PolarHBondContact O-N 2.9Å; Y352-G355 PolarHBondContact O-N 2.86Å; Y352-G355 VanDerWaalsContact O-N 3.13Å; Y352-I356 WeakPolarHBondContact O-CB 3.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.45Å; Y352-I356 PolarHBondContact O-N 3.49Å
353A94.9Very high94.2Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-56.8-48.1-16600000114.7V14 I15 S18 Y72 N349 L350 G357V14-A353 HydrophobicContact CB-CB 4.39Å; V14-A353 HydrophobicContact CG1-CB 4.01Å; V14-A353 HydrophobicContact CG2-CB 3.76Å; I15-A353 HydrophobicContact CD1-CB 3.72Å; S18-A353 VanDerWaalsContact CB-O 3.23Å; S18-A353 WeakPolarHBondContact CB-O 3.21Å; S18-A353 PolarHBondContact OG-O 3.48Å; Y72-A353 WeakPolarHBondContact OH-CB 3.38Å; N349-A353 VanDerWaalsContact O-CB 3.26Å; N349-A353 WeakPolarHBondContact O-CB 3.4Å; N349-A353 PolarHBondContact O-N 2.84Å; L350-A353 PolarHBondContact O-N 3.41Å; A353-G357 PolarHBondContact O-N 3.18Å
354G96Very high94Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-57.9-53.1175.700000111.7H22 Y67 S68 Y72 Y352 G357 K358H22-G354 PolarHBondContact CE1-O 3.48Å; Y67-G354 WeakPolarHBondContact CE1-O 3.5Å; S68-G354 WeakPolarHBondContact OG-CA 3.45Å; S68-G354 PolarHBondContact OG-N 3.4Å; Y72-G354 PolarHBondContact OH-N 2.87Å; Y352-G354 PolarHBondContact O-N 2.9Å; G354-G357 PolarHBondContact O-N 2.86Å; G354-K358 PolarHBondContact O-N 3.36Å; G354-K358 VanDerWaalsContact O-N 3.11Å
355G95.9Very high93.9Very high3 Ų315.6 Ų15.63%0.0318%0.082CC..Hα-helixtrans-60.8-45.1-179.500000113.8L64 S68 Y352 K358 Y359L64-G355 VanDerWaalsContact CD2-C 3.45Å; L64-G355 WeakPolarHBondContact CD2-O 3.33Å; L64-G355 WeakPolarHBondContact O-CA 3.47Å; S68-G355 PolarHBondContact OG-N 3.46Å; Y352-G355 PolarHBondContact O-N 2.86Å; Y352-G355 VanDerWaalsContact O-N 3.13Å; G355-K358 PolarHBondContact O-N 3.15Å; G355-Y359 VanDerWaalsContact O-CB 3.31Å; G355-Y359 WeakPolarHBondContact O-CB 3.14Å; G355-Y359 PolarHBondContact O-N 2.97Å
356I96.9Very high93.8Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-68.9-40.4179.8-69.4-65.2000111.4L64 V331 F346 Y352 K358 Y359 L360 L373L64-I356 HydrophobicContact CD1-CD1 3.53Å; L64-I356 HydrophobicContact CD1-CG1 4.19Å; L64-I356 HydrophobicContact CD2-CD1 4.27Å; V331-I356 HydrophobicContact CB-CD1 4.48Å; V331-I356 HydrophobicContact CG1-CD1 4.08Å; V331-I356 HydrophobicContact CG1-CG2 4.1Å; V331-I356 HydrophobicContact CG2-CD1 3.97Å; V331-I356 HydrophobicContact CG2-CG2 4.45Å; F346-I356 HydrophobicContact CE1-CG1 4.12Å; F346-I356 HydrophobicContact CZ-CG1 4.39Å; F346-I356 HydrophobicContact CZ-CG2 4.13Å; Y352-I356 WeakPolarHBondContact O-CB 3.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.45Å; Y352-I356 PolarHBondContact O-N 3.49Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.76Å; I356-Y359 PolarHBondContact O-N 2.66Å; I356-L360 HydrophobicContact CG2-CD1 4.21Å; I356-L360 PolarHBondContact O-N 2.74Å; I356-L373 HydrophobicContact CD1-CD2 4.06Å
357G98Very high93.7Very high0 Ų019.5 Ų19.50%012%0.115CC..Hα-helixtrans-56.3-47.3173.900000111.3S18 H22 A353 G354 A361S18-G357 WeakPolarHBondContact OG-CA 3.38Å; H22-G357 WeakPolarHBondContact CB-O 3.47Å; A353-G357 PolarHBondContact O-N 3.18Å; G354-G357 PolarHBondContact O-N 2.86Å; G357-A361 VanDerWaalsContact O-CB 3.26Å; G357-A361 WeakPolarHBondContact O-CB 3.25Å; G357-A361 PolarHBondContact O-N 2.87Å; G357-A361 VanDerWaalsContact O-N 3.08Å
358K98Very high93.7Very high71 Ų7118.3 Ų18.331%0.30911%0.105SC..Hα-helixtrans-63.3-46.7173.6-169.2-172.1-170.8-47.20112.5Y67 G354 G355 I356 L360 A361 D362Y67-K358 HydrophobicContact CD1-CB 4.3Å; Y67-K358 HydrophobicContact CD1-CD 4.43Å; Y67-K358 HydrophobicContact CD2-CD 3.96Å; Y67-K358 HydrophobicContact CE1-CB 3.85Å; Y67-K358 HydrophobicContact CE1-CD 4.06Å; Y67-K358 HydrophobicContact CE1-CG 4.46Å; Y67-K358 HydrophobicContact CE2-CD 3.58Å; Y67-K358 HydrophobicContact CG-CD 4.38Å; G354-K358 PolarHBondContact O-N 3.36Å; G354-K358 VanDerWaalsContact O-N 3.11Å; G355-K358 PolarHBondContact O-N 3.15Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 2.76Å; K358-L360 PolarHBondContact O-N 3.2Å; K358-A361 PolarHBondContact O-N 3.1Å; K358-D362 IonicContact NZ-OD1 2.63Å; K358-D362 PolarHBondContact NZ-OD1 2.93Å; K358-D362 VanDerWaalsContact NZ-OD1 3.08Å; K358-D362 IonicContact NZ-OD2 2.98Å; K358-D362 PolarHBondContact NZ-OD2 3.33Å; K358-D362 WeakPolarHBondContact O-CB 3.39Å; K358-D362 VanDerWaalsContact O-CG 3.29Å; K358-D362 PolarHBondContact O-N 3.16Å
359Y97.1Very high94Very high8 Ų817.5 Ų17.53%0.03110%0.101CC..Hα-helixtrans-57.3-49.6-176.7-179.8-94.7000112V331 G355 I356 W363 P369 P370 F371 L373V331-Y359 HydrophobicContact CG1-CD1 4.23Å; V331-Y359 HydrophobicContact CG1-CE1 4.48Å; G355-Y359 VanDerWaalsContact O-CB 3.31Å; G355-Y359 WeakPolarHBondContact O-CB 3.14Å; G355-Y359 PolarHBondContact O-N 2.97Å; I356-Y359 PolarHBondContact O-N 2.66Å; Y359-W363 HydrophobicContact CD1-CE3 4.41Å; Y359-W363 AromaticContact CE1-CE3 3.6Å; Y359-W363 HydrophobicContact CE1-CE3 3.6Å; Y359-W363 AromaticContact CE1-CZ3 3.89Å; Y359-W363 HydrophobicContact CE1-CZ3 3.89Å; Y359-W363 WeakPolarHBondContact O-CB 3.39Å; Y359-W363 PolarHBondContact O-N 3.46Å; Y359-P369 HydrophobicContact CE2-CB 4.38Å; Y359-P369 VanDerWaalsContact OH-CB 3.25Å; Y359-P369 WeakPolarHBondContact OH-CB 2.93Å; Y359-P370 HydrophobicContact CD2-CG 3.45Å; Y359-P370 VanDerWaalsContact CD2-CG 3.45Å; Y359-P370 HydrophobicContact CE2-CG 3.77Å; Y359-P370 HydrophobicContact CG-CG 4.19Å; Y359-F371 HydrophobicContact CD2-CD1 4.21Å; Y359-F371 AromaticContact CD2-CE1 3.72Å; Y359-F371 HydrophobicContact CD2-CE1 3.72Å; Y359-F371 HydrophobicContact CD2-CE2 4.21Å; Y359-F371 AromaticContact CD2-CZ 3.73Å; Y359-F371 HydrophobicContact CD2-CZ 3.73Å; Y359-F371 HydrophobicContact CE2-CD1 4.32Å; Y359-F371 HydrophobicContact CE2-CD2 4.31Å; Y359-F371 HydrophobicContact CE2-CE1 4.22Å; Y359-F371 HydrophobicContact CE2-CE2 4.19Å; Y359-F371 HydrophobicContact CE2-CG 4.38Å; Y359-F371 HydrophobicContact CE2-CZ 4.16Å; Y359-F371 WeakPolarHBondContact CE2-O 3.27Å; Y359-F371 PolarHBondContact OH-O 2.71Å; Y359-L373 HydrophobicContact CD1-CD2 4.34Å; Y359-L373 HydrophobicContact CE1-CB 4.47Å; Y359-L373 HydrophobicContact CE1-CD2 4.1Å; Y359-L373 HydrophobicContact CE2-CB 4.09Å; Y359-L373 HydrophobicContact CE2-CD2 4.39Å
360L97.4Very high94.2Very high0 Ų017.1 Ų17.10%010%0.1CC..Hα-helixtrans-69.3-39.9178.2-77.1178.4000112.3I19 V198 V331 W341 A343 I356 K358 D362 W363 I364I19-L360 HydrophobicContact CD1-CD1 3.76Å; I19-L360 HydrophobicContact CG1-CD1 4.23Å; V198-L360 HydrophobicContact CG1-CD1 4.45Å; V331-L360 HydrophobicContact CG1-CD1 3.95Å; V331-L360 HydrophobicContact CG1-CD2 3.78Å; V331-L360 HydrophobicContact CG1-CG 3.79Å; W341-L360 HydrophobicContact CE3-CD2 4.18Å; A343-L360 HydrophobicContact CB-CD1 3.8Å; I356-L360 HydrophobicContact CG2-CD1 4.21Å; I356-L360 PolarHBondContact O-N 2.74Å; K358-L360 PolarHBondContact O-N 3.2Å; L360-D362 PolarHBondContact O-N 3.21Å; L360-W363 HydrophobicContact CD2-CE3 4.41Å; L360-W363 PolarHBondContact O-N 2.84Å; L360-I364 WeakPolarHBondContact O-CB 3.36Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.45Å; L360-I364 PolarHBondContact O-N 3.14Å
361A98.1Very high93.9Very high0 Ų018.1 Ų18.10%011%0.105CC..Hα-helixtrans-62.8-42177.100000112.3H22 L23 G357 K358 V365H22-A361 HydrophobicContact CB-CB 3.49Å; H22-A361 VanDerWaalsContact CB-CB 3.49Å; L23-A361 HydrophobicContact CD2-CB 3.88Å; L23-A361 HydrophobicContact CG-CB 3.86Å; G357-A361 VanDerWaalsContact O-CB 3.26Å; G357-A361 WeakPolarHBondContact O-CB 3.25Å; G357-A361 PolarHBondContact O-N 2.87Å; G357-A361 VanDerWaalsContact O-N 3.08Å; K358-A361 PolarHBondContact O-N 3.1Å; A361-V365 WeakPolarHBondContact O-CB 3.4Å; A361-V365 VanDerWaalsContact O-CG2 3.26Å; A361-V365 WeakPolarHBondContact O-CG2 3.35Å; A361-V365 PolarHBondContact O-N 3.44Å
362D96.6Very high93.5Very high20 Ų2019 Ų1911%0.10711%0.109CC..Hα-helixtrans-61.3-46.4173.5-71.1-10.2000110.3K358 L360 V365 D366 P370K358-D362 IonicContact NZ-OD1 2.63Å; K358-D362 PolarHBondContact NZ-OD1 2.93Å; K358-D362 VanDerWaalsContact NZ-OD1 3.08Å; K358-D362 IonicContact NZ-OD2 2.98Å; K358-D362 PolarHBondContact NZ-OD2 3.33Å; K358-D362 WeakPolarHBondContact O-CB 3.39Å; K358-D362 VanDerWaalsContact O-CG 3.29Å; K358-D362 PolarHBondContact O-N 3.16Å; L360-D362 PolarHBondContact O-N 3.21Å; D362-V365 PolarHBondContact O-N 2.91Å; D362-D366 WeakPolarHBondContact O-CB 3.23Å; D362-D366 PolarHBondContact O-N 3.31Å; D362-P370 HydrophobicContact CB-CB 4.09Å; D362-P370 HydrophobicContact CB-CG 3.97Å
363W94.5Very high93.4Very high14 Ų1418.4 Ų18.45%0.05311%0.107CC..Hα-helixtrans-64.8-48.5-178.1-167.1-5.6000112.6P333 W341 Y359 L360 V365 D366 G367 E368 P369P333-W363 HydrophobicContact CG-CH2 3.98Å; P333-W363 HydrophobicContact CG-CZ2 3.79Å; W341-W363 AromaticContact CH2-CD1 3.85Å; W341-W363 HydrophobicContact CH2-CD2 4.21Å; W341-W363 HydrophobicContact CH2-CG 4.03Å; W341-W363 AromaticContact CH2-NE1 3.94Å; W341-W363 HydrophobicContact CZ3-CB 4.43Å; W341-W363 AromaticContact CZ3-CD2 3.65Å; W341-W363 HydrophobicContact CZ3-CD2 3.65Å; W341-W363 AromaticContact CZ3-CE2 3.89Å; W341-W363 HydrophobicContact CZ3-CE3 4.01Å; W341-W363 AromaticContact CZ3-CG 3.82Å; W341-W363 HydrophobicContact CZ3-CG 3.82Å; W341-W363 HydrophobicContact CZ3-CZ2 4.49Å; Y359-W363 HydrophobicContact CD1-CE3 4.41Å; Y359-W363 AromaticContact CE1-CE3 3.6Å; Y359-W363 HydrophobicContact CE1-CE3 3.6Å; Y359-W363 AromaticContact CE1-CZ3 3.89Å; Y359-W363 HydrophobicContact CE1-CZ3 3.89Å; Y359-W363 WeakPolarHBondContact O-CB 3.39Å; Y359-W363 PolarHBondContact O-N 3.46Å; L360-W363 HydrophobicContact CD2-CE3 4.41Å; L360-W363 PolarHBondContact O-N 2.84Å; W363-V365 VanDerWaalsContact C-N 3.29Å; W363-V365 PolarHBondContact O-N 3.26Å; W363-D366 PolarHBondContact O-N 3.35Å; W363-G367 WeakPolarHBondContact O-CA 3.14Å; W363-G367 PolarHBondContact O-N 3.22Å; W363-E368 WeakPolarHBondContact CA-O 3.28Å; W363-P369 HydrophobicContact CD2-CB 3.86Å; W363-P369 HydrophobicContact CE3-CB 4.07Å; W363-P369 HydrophobicContact CG-CB 4.27Å; W363-P369 HydrophobicContact CH2-CB 4.5Å; W363-P369 HydrophobicContact CZ2-CB 4.35Å; W363-P369 HydrophobicContact CZ2-CG 4.28Å; W363-P369 HydrophobicContact CZ3-CB 4.38Å
364I94.7Very high92.9Very high23 Ų2319.7 Ų19.712%0.11812%0.116CC..Hα-helixtrans-58.9-42.1179.6-70.4166.2000110.8V7 L23 V198 W341 L360V7-I364 HydrophobicContact CG2-CG2 4.25Å; L23-I364 HydrophobicContact CD1-CD1 4.39Å; L23-I364 HydrophobicContact CD2-CB 4.17Å; L23-I364 HydrophobicContact CD2-CD1 4.33Å; L23-I364 HydrophobicContact CD2-CG2 4.1Å; V198-I364 HydrophobicContact CG2-CD1 3.77Å; W341-I364 HydrophobicContact CD2-CD1 4.3Å; W341-I364 HydrophobicContact CD2-CG1 3.88Å; W341-I364 HydrophobicContact CE3-CG1 4.15Å; W341-I364 HydrophobicContact CG-CD1 4.38Å; W341-I364 HydrophobicContact CG-CG1 4.43Å; W341-I364 HydrophobicContact CH2-CG1 4.11Å; W341-I364 HydrophobicContact CZ2-CG1 3.83Å; W341-I364 HydrophobicContact CZ3-CG1 4.24Å; L360-I364 WeakPolarHBondContact O-CB 3.36Å; L360-I364 VanDerWaalsContact O-CG1 3.27Å; L360-I364 WeakPolarHBondContact O-CG1 3.45Å; L360-I364 PolarHBondContact O-N 3.14Å
365V95.2Very high92.5Very high60 Ų6022.1 Ų22.136%0.36413%0.127SC..Hα-helixtrans-79.1-41.1-177.2176.90000112.5L23 R26 A28 A361 D362 W363L23-V365 HydrophobicContact CD2-CG2 4.23Å; R26-V365 HydrophobicContact CB-CG2 4.27Å; A28-V365 HydrophobicContact CB-CG2 3.6Å; A361-V365 WeakPolarHBondContact O-CB 3.4Å; A361-V365 VanDerWaalsContact O-CG2 3.26Å; A361-V365 WeakPolarHBondContact O-CG2 3.35Å; A361-V365 PolarHBondContact O-N 3.44Å; D362-V365 PolarHBondContact O-N 2.91Å; W363-V365 VanDerWaalsContact C-N 3.29Å; W363-V365 PolarHBondContact O-N 3.26Å
366D92.5Very high92.3Very high61 Ų6122 Ų2233%0.32613%0.126SC..Hα-helixtrans-85.7-15.7-176.2-73.8-10.6000113.5R26 D362 W363 E368 K510R26-D366 IonicContact CZ-OD1 3.71Å; R26-D366 IonicContact NH2-OD1 3.38Å; R26-D366 PolarHBondContact NH2-OD1 3.5Å; R26-D366 IonicContact NH2-OD2 2.68Å; D362-D366 WeakPolarHBondContact O-CB 3.23Å; D362-D366 PolarHBondContact O-N 3.31Å; W363-D366 PolarHBondContact O-N 3.35Å; D366-E368 VanDerWaalsContact C-N 3.29Å; D366-E368 PolarHBondContact O-N 2.88Å; D366-K510 IonicContact OD1-NZ 3.46Å; D366-K510 IonicContact OD2-NZ 3.37Å; D366-K510 PolarHBondContact OD2-NZ 3.07Å
367G88.6Confident92.1Very high45 Ų4522.6 Ų22.646%0.46413%0.129SC..SBendtrans79.13.3-176.900000115.1W363W363-G367 WeakPolarHBondContact O-CA 3.14Å; W363-G367 PolarHBondContact O-N 3.22Å
368E88.2Confident91.9Very high1 Ų122.6 Ų22.61%0.00513%0.129CC..SBendtrans-148.9152.7177.870.5179113.400111.7W363 D366 T508 K510 R512W363-E368 WeakPolarHBondContact CA-O 3.28Å; D366-E368 VanDerWaalsContact C-N 3.29Å; D366-E368 PolarHBondContact O-N 2.88Å; E368-T508 HydrophobicContact CB-CG2 4.17Å; E368-T508 WeakPolarHBondContact OE2-CB 3.08Å; E368-T508 VanDerWaalsContact OE2-CG2 3.32Å; E368-T508 WeakPolarHBondContact OE2-CG2 3.3Å; E368-T508 PolarHBondContact OE2-OG1 3.17Å; E368-K510 WeakPolarHBondContact OE1-CB 3.38Å; E368-K510 WeakPolarHBondContact OE1-CD 3.33Å; E368-K510 WeakPolarHBondContact OE1-CE 3.37Å; E368-K510 WeakPolarHBondContact OE1-CG 3.23Å; E368-K510 PolarHBondContact OE1-N 3.18Å; E368-R512 WeakPolarHBondContact OE2-CD 3.47Å; E368-R512 IonicContact OE2-NH1 3.89Å; E368-R512 PolarHBondContact OE2-NH1 3.39Å
369P90Very high91.5Very high14 Ų1420.1 Ų20.19%0.09112%0.123CC..  trans-66.3141.3-178.526.9-33.4000111.2Y359 W363 F371 R512Y359-P369 HydrophobicContact CE2-CB 4.38Å; Y359-P369 VanDerWaalsContact OH-CB 3.25Å; Y359-P369 WeakPolarHBondContact OH-CB 2.93Å; W363-P369 HydrophobicContact CD2-CB 3.86Å; W363-P369 HydrophobicContact CE3-CB 4.07Å; W363-P369 HydrophobicContact CG-CB 4.27Å; W363-P369 HydrophobicContact CH2-CB 4.5Å; W363-P369 HydrophobicContact CZ2-CB 4.35Å; W363-P369 HydrophobicContact CZ2-CG 4.28Å; W363-P369 HydrophobicContact CZ3-CB 4.38Å; P369-F371 PolarHBondContact O-N 2.93Å; P369-R512 PolarHBondContact O-NH1 2.74Å
370P89.9Confident91.3Very high20 Ų2021.1 Ų21.113%0.1313%0.127CC..SBendtrans-68.5-23.3-178.827.4-35.8000113.3Y359 D362Y359-P370 HydrophobicContact CD2-CG 3.45Å; Y359-P370 VanDerWaalsContact CD2-CG 3.45Å; Y359-P370 HydrophobicContact CE2-CG 3.77Å; Y359-P370 HydrophobicContact CG-CG 4.19Å; D362-P370 HydrophobicContact CB-CB 4.09Å; D362-P370 HydrophobicContact CB-CG 3.97Å
371F87Confident91Very high22 Ų2221.5 Ų21.510%0.09613%0.128CC..SBendtrans-162.8174.4172.857.4-89000110.2R63 L64 Y359 P369 L373R63-F371 HydrophobicContact CG-CZ 4.43Å; R63-F371 VanDerWaalsContact NH1-CD1 3.3Å; L64-F371 HydrophobicContact CD2-CE2 4.44Å; L64-F371 HydrophobicContact CD2-CZ 3.63Å; L64-F371 HydrophobicContact CG-CZ 4.11Å; Y359-F371 HydrophobicContact CD2-CD1 4.21Å; Y359-F371 AromaticContact CD2-CE1 3.72Å; Y359-F371 HydrophobicContact CD2-CE1 3.72Å; Y359-F371 HydrophobicContact CD2-CE2 4.21Å; Y359-F371 AromaticContact CD2-CZ 3.73Å; Y359-F371 HydrophobicContact CD2-CZ 3.73Å; Y359-F371 HydrophobicContact CE2-CD1 4.32Å; Y359-F371 HydrophobicContact CE2-CD2 4.31Å; Y359-F371 HydrophobicContact CE2-CE1 4.22Å; Y359-F371 HydrophobicContact CE2-CE2 4.19Å; Y359-F371 HydrophobicContact CE2-CG 4.38Å; Y359-F371 HydrophobicContact CE2-CZ 4.16Å; Y359-F371 WeakPolarHBondContact CE2-O 3.27Å; Y359-F371 PolarHBondContact OH-O 2.71Å; P369-F371 PolarHBondContact O-N 2.93Å; F371-L373 HydrophobicContact CE2-CD1 4.45Å
372E83.2Confident90.5Very high18 Ų1822.9 Ų22.98%0.08414%0.135CC..  trans-72133.9-178-176.359.8164.900113.3S374 K678E372-S374 WeakPolarHBondContact OE1-CB 3.42Å; E372-S374 PolarHBondContact OE1-OG 2.94Å; E372-K678 HydrophobicContact CB-CB 3.9Å; E372-K678 HydrophobicContact CB-CG 3.86Å; E372-K678 HydrophobicContact CG-CG 4.16Å; E372-K678 IonicContact OE1-NZ 3.82Å; E372-K678 PolarHBondContact OE1-NZ 2.66Å; E372-K678 WeakPolarHBondContact OE2-CD 3.43Å; E372-K678 WeakPolarHBondContact OE2-CE 3.41Å; E372-K678 WeakPolarHBondContact OE2-CG 3.23Å; E372-K678 IonicContact OE2-NZ 3.64Å; E372-K678 PolarHBondContact OE2-NZ 2.72Å
373L88Confident90.1Very high6 Ų628.6 Ų28.63%0.03117%0.165CC..  trans-148.649.2175.4-160.770.5000110.4F61 L64 I356 Y359 F371 E375 A376F61-L373 HydrophobicContact CD2-CD1 3.63Å; F61-L373 HydrophobicContact CE2-CD1 3.51Å; F61-L373 HydrophobicContact CE2-CG 4.06Å; F61-L373 HydrophobicContact CG-CD1 4.3Å; F61-L373 HydrophobicContact CZ-CD1 4.11Å; F61-L373 HydrophobicContact CZ-CD2 4.47Å; F61-L373 HydrophobicContact CZ-CG 4.36Å; L64-L373 HydrophobicContact CD1-CD1 3.96Å; L64-L373 HydrophobicContact CD1-CD2 3.9Å; I356-L373 HydrophobicContact CD1-CD2 4.06Å; Y359-L373 HydrophobicContact CD1-CD2 4.34Å; Y359-L373 HydrophobicContact CE1-CB 4.47Å; Y359-L373 HydrophobicContact CE1-CD2 4.1Å; Y359-L373 HydrophobicContact CE2-CB 4.09Å; Y359-L373 HydrophobicContact CE2-CD2 4.39Å; F371-L373 HydrophobicContact CE2-CD1 4.45Å; L373-E375 PolarHBondContact O-N 3.14Å; L373-A376 HydrophobicContact CD2-CB 3.67Å; L373-A376 HydrophobicContact CG-CB 3.68Å; L373-A376 WeakPolarHBondContact O-CB 3.35Å; L373-A376 PolarHBondContact O-N 3.05Å
374S85.7Confident89.9Confident27 Ų2728.7 Ų28.719%0.18917%0.166CC..G310 helixtrans-63-26.1-177.930.40000112.8E372 A376 E377E372-S374 WeakPolarHBondContact OE1-CB 3.42Å; E372-S374 PolarHBondContact OE1-OG 2.94Å; S374-A376 PolarHBondContact O-N 2.69Å; S374-A376 VanDerWaalsContact O-N 3.16Å; S374-E377 WeakPolarHBondContact O-CB 3.49Å; S374-E377 PolarHBondContact O-N 3.49Å
375E87.2Confident89.9Confident52 Ų5227.6 Ų27.624%0.24316%0.16CC..G310 helixtrans-63.6-18.9173.3-45.692.4143.800111.9S60 F61 F328 L373 R380S60-E375 PolarHBondContact OG-OE1 3.32Å; F61-E375 HydrophobicContact CE2-CB 4.12Å; F328-E375 WeakPolarHBondContact CB-O 3.37Å; F328-E375 HydrophobicContact CG-CB 4.44Å; L373-E375 PolarHBondContact O-N 3.14Å; E375-R380 PolarHBondContact O-NE 3.18Å; E375-R380 PolarHBondContact O-NH1 3.4Å; E375-R380 PolarHBondContact O-NH2 2.65Å
376A92.7Very high89.8Confident0 Ų027.8 Ų27.80%016%0.159CC..G310 helixtrans-99.9-1.1174.200000114F61 P329 L330 V331 L373 S374 P378 R380F61-A376 HydrophobicContact CE2-CB 4.36Å; F61-A376 HydrophobicContact CZ-CB 3.91Å; P329-A376 VanDerWaalsContact O-CA 3.29Å; P329-A376 WeakPolarHBondContact O-CA 3.47Å; L330-A376 CarbonylContact C-O 3.22Å; L330-A376 WeakPolarHBondContact CA-O 3.12Å; V331-A376 HydrophobicContact CB-CB 3.93Å; V331-A376 HydrophobicContact CG2-CB 4.17Å; V331-A376 PolarHBondContact N-O 2.78Å; L373-A376 HydrophobicContact CD2-CB 3.67Å; L373-A376 HydrophobicContact CG-CB 3.68Å; L373-A376 WeakPolarHBondContact O-CB 3.35Å; L373-A376 PolarHBondContact O-N 3.05Å; S374-A376 PolarHBondContact O-N 2.69Å; S374-A376 VanDerWaalsContact O-N 3.16Å; A376-P378 WeakPolarHBondContact O-CD 3.42Å; A376-R380 PolarHBondContact O-NH1 3.05Å
377E92.1Very high89.8Confident13 Ų1328.8 Ų28.86%0.06117%0.171CC..  trans-57.7122.6-174.6176.353.3-127.300111.4S374 G379 R380 P539 I540 R543S374-E377 WeakPolarHBondContact O-CB 3.49Å; S374-E377 PolarHBondContact O-N 3.49Å; E377-G379 VanDerWaalsContact C-N 3.25Å; E377-G379 PolarHBondContact O-N 2.97Å; E377-G379 PolarHBondContact OE1-N 2.8Å; E377-R380 HydrophobicContact CB-CB 4.48Å; E377-R380 WeakPolarHBondContact O-CD 3.15Å; E377-R380 VanDerWaalsContact O-CG 3.25Å; E377-R380 WeakPolarHBondContact O-CG 3.2Å; E377-R380 PolarHBondContact O-N 2.81Å; E377-R380 PolarHBondContact O-NH1 3.42Å; E377-P539 HydrophobicContact CG-CG 4.21Å; E377-I540 HydrophobicContact CG-CD1 4.38Å; E377-I540 HydrophobicContact CG-CG1 3.81Å; E377-R543 VanDerWaalsContact CD-NH1 3.28Å; E377-R543 IonicContact OE1-CZ 3.4Å; E377-R543 IonicContact OE1-NH1 3.46Å; E377-R543 PolarHBondContact OE1-NH1 3.3Å; E377-R543 IonicContact OE1-NH2 3.49Å; E377-R543 IonicContact OE2-CZ 3.81Å; E377-R543 VanDerWaalsContact OE2-CZ 3.22Å; E377-R543 IonicContact OE2-NH1 2.66Å; E377-R543 PolarHBondContact OE2-NH1 3Å; E377-R543 IonicContact OE2-NH2 3.51Å; E377-R543 PolarHBondContact OE2-NH2 3.46Å
378P93.1Very high90.1Very high0 Ų032.7 Ų32.70%017%0.172CC..G310 helixtrans-54.5-36.5178.5-33.838.9000115V331 L334 I342 A376 R380V331-P378 WeakPolarHBondContact O-CD 3.5Å; L334-P378 HydrophobicContact CD1-CB 3.95Å; I342-P378 HydrophobicContact CD1-CB 3.87Å; I342-P378 HydrophobicContact CD1-CG 3.96Å; I342-P378 HydrophobicContact CG1-CB 4.28Å; I342-P378 HydrophobicContact CG1-CG 3.84Å; A376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-R380 VanDerWaalsContact C-N 3.34Å; P378-R380 PolarHBondContact O-N 3.24Å
379G90.2Very high90.5Very high18 Ų1832.8 Ų32.819%0.18617%0.172CC..G310 helixtrans-81.8-0.3-176.700000115.7E377 F381 E382 P539E377-G379 VanDerWaalsContact C-N 3.25Å; E377-G379 PolarHBondContact O-N 2.97Å; E377-G379 PolarHBondContact OE1-N 2.8Å; G379-F381 PolarHBondContact O-N 2.88Å; G379-E382 WeakPolarHBondContact O-CG 3.38Å; G379-P539 VanDerWaalsContact O-CB 3.31Å; G379-P539 WeakPolarHBondContact O-CB 3.46Å
380R92.1Very high90.7Very high29 Ų2934 Ų3411%0.10918%0.175CC..G310 helixtrans-67.4-18.4-175.175.7-172.7-179.1-93.56.7114.7D326 F328 P329 E375 A376 E377 P378D326-R380 IonicContact OD1-CZ 3.2Å; D326-R380 IonicContact OD1-NE 3.68Å; D326-R380 IonicContact OD1-NH2 3.31Å; D326-R380 PolarHBondContact OD1-NH2 3.48Å; D326-R380 IonicContact OD2-CZ 3.91Å; D326-R380 IonicContact OD2-NE 2.82Å; D326-R380 PolarHBondContact OD2-NE 3.33Å; D326-R380 IonicContact OD2-NH2 2.86Å; D326-R380 PolarHBondContact OD2-NH2 3.27Å; F328-R380 PolarHBondContact O-NH2 2.97Å; P329-R380 PolarHBondContact O-NH1 3.39Å; P329-R380 PolarHBondContact O-NH2 3.22Å; P329-R380 VanDerWaalsContact O-NH2 3.11Å; E375-R380 PolarHBondContact O-NE 3.18Å; E375-R380 PolarHBondContact O-NH1 3.4Å; E375-R380 PolarHBondContact O-NH2 2.65Å; A376-R380 PolarHBondContact O-NH1 3.05Å; E377-R380 HydrophobicContact CB-CB 4.48Å; E377-R380 WeakPolarHBondContact O-CD 3.15Å; E377-R380 VanDerWaalsContact O-CG 3.25Å; E377-R380 WeakPolarHBondContact O-CG 3.2Å; E377-R380 PolarHBondContact O-N 2.81Å; E377-R380 PolarHBondContact O-NH1 3.42Å; P378-R380 VanDerWaalsContact C-N 3.34Å; P378-R380 PolarHBondContact O-N 3.24Å
381F91.6Very high90.9Very high8 Ų836 Ų364%0.03518%0.184CC..SBendtrans-10699.1171.9-64-71.7000108.6P218 T324 P325 D326 L330 G379 W384P218-F381 HydrophobicContact CB-CB 3.78Å; P218-F381 HydrophobicContact CB-CD2 3.99Å; P218-F381 HydrophobicContact CB-CG 3.89Å; P218-F381 HydrophobicContact CG-CB 3.66Å; P218-F381 HydrophobicContact CG-CD2 3.48Å; P218-F381 VanDerWaalsContact CG-CD2 3.48Å; P218-F381 HydrophobicContact CG-CE2 4.34Å; P218-F381 HydrophobicContact CG-CG 3.79Å; T324-F381 HydrophobicContact CG2-CE2 4.07Å; P325-F381 HydrophobicContact CB-CE1 3.74Å; P325-F381 HydrophobicContact CB-CZ 3.97Å; P325-F381 HydrophobicContact CG-CD1 4.26Å; P325-F381 HydrophobicContact CG-CE1 3.79Å; P325-F381 HydrophobicContact CG-CZ 4.04Å; D326-F381 HydrophobicContact CB-CZ 4.03Å; D326-F381 VanDerWaalsContact CG-CZ 3.42Å; D326-F381 WeakPolarHBondContact OD2-CZ 3.36Å; L330-F381 HydrophobicContact CD2-CD2 4.18Å; L330-F381 HydrophobicContact CD2-CE2 4.31Å; G379-F381 PolarHBondContact O-N 2.88Å; F381-W384 HydrophobicContact CD1-CH2 4.18Å; F381-W384 HydrophobicContact CD1-CZ2 4.21Å
382E86.8Confident91.3Very high30 Ų3036.1 Ų36.114%0.1419%0.189CC..  trans-95.4-163.3177.7-54.217080.900109.4G379 W384 S385 R419 N560G379-E382 WeakPolarHBondContact O-CG 3.38Å; E382-W384 PolarHBondContact O-N 2.88Å; E382-S385 WeakPolarHBondContact O-CB 3.33Å; E382-S385 PolarHBondContact O-N 3.03Å; E382-S385 PolarHBondContact O-OG 3.27Å; E382-R419 IonicContact OE1-NH2 2.73Å; E382-R419 PolarHBondContact OE1-NH2 2.97Å; E382-R419 VanDerWaalsContact OE1-NH2 3.11Å; E382-R419 IonicContact OE2-CZ 3.79Å; E382-R419 IonicContact OE2-NH1 3.91Å; E382-R419 PolarHBondContact OE2-NH1 3.42Å; E382-R419 IonicContact OE2-NH2 2.72Å; E382-R419 PolarHBondContact OE2-NH2 3.31Å; E382-N560 PolarHBondContact OE1-ND2 2.61Å
383D88.2Confident91.9Very high140 Ų14035.9 Ų35.975%0.74919%0.188SC*.THydrogen-bonded Turntrans-62.6-18.1-174.8-65.1-21.5000114.5S385D383-S385 PolarHBondContact O-N 3.02Å
384W91.8Very high92.2Very high15 Ų1535.6 Ų35.66%0.05719%0.186CC..THydrogen-bonded Turntrans-65.7-23.7174.965.2-97.5000113.2F381 E382 D386 F389 T417 R419 S438F381-W384 HydrophobicContact CD1-CH2 4.18Å; F381-W384 HydrophobicContact CD1-CZ2 4.21Å; E382-W384 PolarHBondContact O-N 2.88Å; W384-D386 VanDerWaalsContact C-N 3.27Å; W384-D386 PolarHBondContact O-N 2.66Å; W384-F389 HydrophobicContact CE3-CE1 4.48Å; W384-F389 AromaticContact CH2-CE1 3.86Å; W384-F389 HydrophobicContact CH2-CE1 3.86Å; W384-F389 AromaticContact CH2-CZ 3.96Å; W384-F389 HydrophobicContact CH2-CZ 3.96Å; W384-F389 AromaticContact CZ3-CD1 3.87Å; W384-F389 HydrophobicContact CZ3-CD1 3.87Å; W384-F389 HydrophobicContact CZ3-CD2 4.38Å; W384-F389 AromaticContact CZ3-CE1 3.44Å; W384-F389 HydrophobicContact CZ3-CE1 3.44Å; W384-F389 VanDerWaalsContact CZ3-CE1 3.44Å; W384-F389 AromaticContact CZ3-CE2 3.99Å; W384-F389 HydrophobicContact CZ3-CE2 3.99Å; W384-F389 HydrophobicContact CZ3-CG 4.33Å; W384-F389 AromaticContact CZ3-CZ 3.52Å; W384-F389 HydrophobicContact CZ3-CZ 3.52Å; W384-T417 HydrophobicContact CE3-CG2 3.87Å; W384-T417 HydrophobicContact CZ3-CG2 4.12Å; W384-R419 HydrophobicContact CB-CB 4.23Å; W384-R419 HydrophobicContact CB-CG 3.66Å; W384-R419 HydrophobicContact CG-CG 4.31Å; W384-S438 PolarHBondContact NE1-O 2.93Å
385S93.8Very high92.7Very high0 Ų037.3 Ų37.30%019%0.19CC..SBendtrans-81.571.2179.666.50000109.8E382 D383 R390E382-S385 WeakPolarHBondContact O-CB 3.33Å; E382-S385 PolarHBondContact O-N 3.03Å; E382-S385 PolarHBondContact O-OG 3.27Å; D383-S385 PolarHBondContact O-N 3.02Å; S385-R390 WeakPolarHBondContact O-CD 3.23Å; S385-R390 PolarHBondContact O-NE 2.93Å; S385-R390 PolarHBondContact O-NH2 2.86Å; S385-R390 PolarHBondContact OG-NE 3.29Å; S385-R390 PolarHBondContact OG-NH2 2.92Å
386D93.5Very high92.9Very high64 Ų6435.1 Ų35.134%0.34218%0.18SC..  trans-66170.2178.571.121.8000112.6W384 R388 F389 R390W384-D386 VanDerWaalsContact C-N 3.27Å; W384-D386 PolarHBondContact O-N 2.66Å; D386-R388 VanDerWaalsContact C-N 3.26Å; D386-R388 PolarHBondContact O-N 3.18Å; D386-R388 WeakPolarHBondContact OD1-CA 3.18Å; D386-R388 WeakPolarHBondContact OD1-CB 3.16Å; D386-R388 PolarHBondContact OD1-N 2.82Å; D386-R388 VanDerWaalsContact OD1-N 3.09Å; D386-F389 PolarHBondContact O-N 3.1Å; D386-F389 WeakPolarHBondContact OD1-CB 2.94Å; D386-F389 PolarHBondContact OD1-N 3.31Å; D386-R390 WeakPolarHBondContact O-CB 3.43Å; D386-R390 VanDerWaalsContact O-CG 3.27Å; D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 2.78Å
387S92.7Very high92.9Very high83 Ų8335.6 Ų35.658%0.5818%0.183SC*.Hα-helixtrans-57.6-37.7179.6178.20000112.6R390 I391S387-R390 PolarHBondContact O-N 3.1Å; S387-I391 WeakPolarHBondContact O-CB 3.3Å; S387-I391 VanDerWaalsContact O-CG1 3.26Å; S387-I391 WeakPolarHBondContact O-CG1 3.31Å; S387-I391 PolarHBondContact O-N 3.11Å
388R94.4Very high92.9Very high126 Ų12635 Ų3548%0.47518%0.181SC..Hα-helixtrans-63.2-48.5178.7177.6-1656698.51.8111D386 A392 G414 P416D386-R388 VanDerWaalsContact C-N 3.26Å; D386-R388 PolarHBondContact O-N 3.18Å; D386-R388 WeakPolarHBondContact OD1-CA 3.18Å; D386-R388 WeakPolarHBondContact OD1-CB 3.16Å; D386-R388 PolarHBondContact OD1-N 2.82Å; D386-R388 VanDerWaalsContact OD1-N 3.09Å; R388-A392 WeakPolarHBondContact O-CB 3.29Å; R388-A392 PolarHBondContact O-N 3.09Å; R388-G414 PolarHBondContact NH1-O 2.63Å; R388-G414 PolarHBondContact NH2-O 3.1Å; R388-G414 VanDerWaalsContact NH2-O 3.07Å; R388-P416 PolarHBondContact NH2-O 2.89Å
389F95.9Very high92.9Very high4 Ų436 Ų362%0.01819%0.187CC..Hα-helixtrans-60.5-50.6176173.4-91.9000110.3P325 W384 D386 I391 A392 K393 T417 L436P325-F389 HydrophobicContact CB-CE1 4.03Å; P325-F389 HydrophobicContact CG-CE1 4.45Å; W384-F389 HydrophobicContact CE3-CE1 4.48Å; W384-F389 AromaticContact CH2-CE1 3.86Å; W384-F389 HydrophobicContact CH2-CE1 3.86Å; W384-F389 AromaticContact CH2-CZ 3.96Å; W384-F389 HydrophobicContact CH2-CZ 3.96Å; W384-F389 AromaticContact CZ3-CD1 3.87Å; W384-F389 HydrophobicContact CZ3-CD1 3.87Å; W384-F389 HydrophobicContact CZ3-CD2 4.38Å; W384-F389 AromaticContact CZ3-CE1 3.44Å; W384-F389 HydrophobicContact CZ3-CE1 3.44Å; W384-F389 VanDerWaalsContact CZ3-CE1 3.44Å; W384-F389 AromaticContact CZ3-CE2 3.99Å; W384-F389 HydrophobicContact CZ3-CE2 3.99Å; W384-F389 HydrophobicContact CZ3-CG 4.33Å; W384-F389 AromaticContact CZ3-CZ 3.52Å; W384-F389 HydrophobicContact CZ3-CZ 3.52Å; D386-F389 PolarHBondContact O-N 3.1Å; D386-F389 WeakPolarHBondContact OD1-CB 2.94Å; D386-F389 PolarHBondContact OD1-N 3.31Å; F389-I391 PolarHBondContact O-N 2.69Å; F389-A392 PolarHBondContact O-N 3.19Å; F389-K393 HydrophobicContact CD1-CB 4.46Å; F389-K393 HydrophobicContact CE1-CB 4.08Å; F389-K393 HydrophobicContact CE1-CG 4.1Å; F389-K393 HydrophobicContact CE2-CB 4.23Å; F389-K393 HydrophobicContact CE2-CG 4.25Å; F389-K393 HydrophobicContact CZ-CB 3.96Å; F389-K393 HydrophobicContact CZ-CD 4.29Å; F389-K393 HydrophobicContact CZ-CG 3.71Å; F389-K393 WeakPolarHBondContact O-CB 3.48Å; F389-K393 PolarHBondContact O-N 3.47Å; F389-T417 HydrophobicContact CD2-CG2 3.82Å; F389-T417 HydrophobicContact CE2-CG2 4.11Å; F389-T417 HydrophobicContact CG-CG2 4.49Å; F389-L436 HydrophobicContact CE2-CD2 3.76Å; F389-L436 HydrophobicContact CZ-CD2 3.92Å
390R94.9Very high92.8Very high38 Ų3836.6 Ų36.614%0.14319%0.186CC..Hα-helixtrans-56.1-49.5-178.2-71.6174.2-172.5176.19.6111.3L220 P325 S385 D386 S387 T394L220-R390 HydrophobicContact CD1-CB 3.87Å; L220-R390 HydrophobicContact CD1-CG 4.47Å; L220-R390 HydrophobicContact CD2-CB 3.93Å; L220-R390 HydrophobicContact CG-CB 4.47Å; P325-R390 HydrophobicContact CG-CB 4.14Å; P325-R390 HydrophobicContact CG-CG 3.91Å; S385-R390 WeakPolarHBondContact O-CD 3.23Å; S385-R390 PolarHBondContact O-NE 2.93Å; S385-R390 PolarHBondContact O-NH2 2.86Å; S385-R390 PolarHBondContact OG-NE 3.29Å; S385-R390 PolarHBondContact OG-NH2 2.92Å; D386-R390 WeakPolarHBondContact O-CB 3.43Å; D386-R390 VanDerWaalsContact O-CG 3.27Å; D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 2.78Å; S387-R390 PolarHBondContact O-N 3.1Å; R390-T394 WeakPolarHBondContact O-CB 3.31Å; R390-T394 PolarHBondContact O-N 3.09Å; R390-T394 PolarHBondContact O-OG1 2.8Å
391I94.8Very high92.5Very high64 Ų6438.2 Ų38.233%0.32819%0.194SC..Hα-helixtrans-61.9-53.7179.1-69.5166.5000111L220 M272 S387 F389 K393 T394 K395L220-I391 HydrophobicContact CD2-CB 4.5Å; L220-I391 HydrophobicContact CD2-CG1 3.91Å; M272-I391 HydrophobicContact SD-CG2 3.88Å; S387-I391 WeakPolarHBondContact O-CB 3.3Å; S387-I391 VanDerWaalsContact O-CG1 3.26Å; S387-I391 WeakPolarHBondContact O-CG1 3.31Å; S387-I391 PolarHBondContact O-N 3.11Å; F389-I391 PolarHBondContact O-N 2.69Å; I391-K393 PolarHBondContact O-N 3.21Å; I391-T394 PolarHBondContact O-N 3.16Å; I391-K395 WeakPolarHBondContact O-CG 3.42Å; I391-K395 PolarHBondContact O-N 3.29Å; I391-K395 VanDerWaalsContact O-N 3.1Å
392A95.6Very high92.2Very high24 Ų2438 Ų3820%0.19819%0.193CC..Hα-helixtrans-62.1-45.9-17600000111.8R388 F389 K395 E396 A413R388-A392 WeakPolarHBondContact O-CB 3.29Å; R388-A392 PolarHBondContact O-N 3.09Å; F389-A392 PolarHBondContact O-N 3.19Å; A392-K395 PolarHBondContact O-N 3.16Å; A392-E396 PolarHBondContact O-N 2.97Å; A392-E396 VanDerWaalsContact O-N 3.1Å; A392-A413 HydrophobicContact CB-CB 4.23Å
393K94.9Very high91.5Very high12 Ų1238 Ų385%0.05220%0.196CC..Hα-helixtrans-69.6-36.4-178.6-170.761.960.7-163.30112.2P325 F389 I391 E396 S397 R411 A413P325-K393 HydrophobicContact CB-CB 3.99Å; P325-K393 HydrophobicContact CB-CG 3.82Å; P325-K393 WeakPolarHBondContact O-CG 3.25Å; F389-K393 HydrophobicContact CD1-CB 4.46Å; F389-K393 HydrophobicContact CE1-CB 4.08Å; F389-K393 HydrophobicContact CE1-CG 4.1Å; F389-K393 HydrophobicContact CE2-CB 4.23Å; F389-K393 HydrophobicContact CE2-CG 4.25Å; F389-K393 HydrophobicContact CZ-CB 3.96Å; F389-K393 HydrophobicContact CZ-CD 4.29Å; F389-K393 HydrophobicContact CZ-CG 3.71Å; F389-K393 WeakPolarHBondContact O-CB 3.48Å; F389-K393 PolarHBondContact O-N 3.47Å; I391-K393 PolarHBondContact O-N 3.21Å; K393-E396 VanDerWaalsContact CD-OE2 3.23Å; K393-E396 WeakPolarHBondContact CD-OE2 3.17Å; K393-E396 WeakPolarHBondContact CE-OE2 2.94Å; K393-E396 IonicContact NZ-OE1 2.99Å; K393-E396 IonicContact NZ-OE2 3.85Å; K393-E396 PolarHBondContact NZ-OE2 2.89Å; K393-E396 PolarHBondContact O-N 3.28Å; K393-S397 WeakPolarHBondContact O-CB 3.24Å; K393-S397 PolarHBondContact O-N 3.14Å; K393-S397 PolarHBondContact O-OG 3.05Å; K393-R411 PolarHBondContact NZ-O 3.15Å; K393-A413 WeakPolarHBondContact CE-O 3.44Å; K393-A413 PolarHBondContact NZ-O 3.32Å
394T94.6Very high90.3Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-62.8-43.7172.9-73.10000111.9L220 V222 M272 M323 P325 R390 I391 S397 Y398L220-T394 HydrophobicContact CB-CG2 4.07Å; L220-T394 WeakPolarHBondContact CD1-OG1 3.38Å; V222-T394 HydrophobicContact CG2-CG2 3.58Å; M272-T394 HydrophobicContact CE-CG2 3.68Å; M323-T394 HydrophobicContact CG-CG2 3.92Å; M323-T394 HydrophobicContact SD-CG2 3.67Å; P325-T394 WeakPolarHBondContact CA-OG1 3.45Å; R390-T394 WeakPolarHBondContact O-CB 3.31Å; R390-T394 PolarHBondContact O-N 3.09Å; R390-T394 PolarHBondContact O-OG1 2.8Å; I391-T394 PolarHBondContact O-N 3.16Å; T394-S397 PolarHBondContact O-N 2.88Å; T394-Y398 WeakPolarHBondContact O-CB 3.14Å; T394-Y398 PolarHBondContact O-N 2.89Å
395K95Very high88.7Confident63 Ų6334 Ų3427%0.27418%0.179SC..Hα-helixtrans-61-46.5176.4-69.3-176175.6-171.90112E267 V270 M272 I391 A392 S399E267-K395 HydrophobicContact CG-CB 3.9Å; V270-K395 HydrophobicContact CB-CB 4.22Å; V270-K395 HydrophobicContact CB-CD 4.47Å; V270-K395 HydrophobicContact CB-CG 3.99Å; V270-K395 HydrophobicContact CG1-CB 4.39Å; V270-K395 HydrophobicContact CG1-CG 3.99Å; V270-K395 HydrophobicContact CG2-CB 4.44Å; M272-K395 HydrophobicContact CG-CG 4.33Å; M272-K395 HydrophobicContact SD-CD 4.12Å; M272-K395 WeakPolarHBondContact SD-CE 3.32Å; M272-K395 HydrophobicContact SD-CG 3.54Å; M272-K395 VanDerWaalsContact SD-CG 3.54Å; I391-K395 WeakPolarHBondContact O-CG 3.42Å; I391-K395 PolarHBondContact O-N 3.29Å; I391-K395 VanDerWaalsContact O-N 3.1Å; A392-K395 PolarHBondContact O-N 3.16Å; K395-S399 WeakPolarHBondContact O-CB 3.3Å; K395-S399 PolarHBondContact O-N 2.98Å; K395-S399 PolarHBondContact O-OG 2.82Å
396E93.3Very high87Confident6 Ų639.9 Ų39.93%0.02821%0.206CC..Hα-helixtrans-59-52.2176-174.7-174.5-127.700110.4A392 K393 Y398 S399 M400 R411 P412 A413A392-E396 PolarHBondContact O-N 2.97Å; A392-E396 VanDerWaalsContact O-N 3.1Å; K393-E396 VanDerWaalsContact CD-OE2 3.23Å; K393-E396 WeakPolarHBondContact CD-OE2 3.17Å; K393-E396 WeakPolarHBondContact CE-OE2 2.94Å; K393-E396 IonicContact NZ-OE1 2.99Å; K393-E396 IonicContact NZ-OE2 3.85Å; K393-E396 PolarHBondContact NZ-OE2 2.89Å; K393-E396 PolarHBondContact O-N 3.28Å; E396-Y398 PolarHBondContact O-N 3.5Å; E396-S399 PolarHBondContact O-N 3.29Å; E396-S399 PolarHBondContact O-OG 2.84Å; E396-M400 HydrophobicContact CG-SD 3.87Å; E396-M400 WeakPolarHBondContact O-CB 3Å; E396-M400 VanDerWaalsContact O-CG 3.28Å; E396-M400 WeakPolarHBondContact O-CG 3.38Å; E396-M400 PolarHBondContact O-N 3.42Å; E396-R411 VanDerWaalsContact OE1-C 3.32Å; E396-R411 WeakPolarHBondContact OE2-CB 2.89Å; E396-P412 WeakPolarHBondContact OE1-CD 3.45Å; E396-P412 VanDerWaalsContact OE1-N 3.12Å; E396-A413 HydrophobicContact CB-CB 3.64Å; E396-A413 HydrophobicContact CG-CB 3.99Å; E396-A413 WeakPolarHBondContact OE1-CB 3.38Å; E396-A413 PolarHBondContact OE1-N 3.12Å; E396-A413 WeakPolarHBondContact OE2-CB 3.47Å
397S91.8Very high85Confident11 Ų1137.7 Ų37.78%0.07720%0.195CC..Hα-helixtrans-60.1-42179.7-71.80000114P325 K393 T394 M400 H401 R411P325-S397 VanDerWaalsContact O-CB 3.28Å; P325-S397 WeakPolarHBondContact O-CB 3.29Å; P325-S397 PolarHBondContact O-OG 2.94Å; K393-S397 WeakPolarHBondContact O-CB 3.24Å; K393-S397 PolarHBondContact O-N 3.14Å; K393-S397 PolarHBondContact O-OG 3.05Å; T394-S397 PolarHBondContact O-N 2.88Å; S397-M400 PolarHBondContact O-N 3.31Å; S397-H401 PolarHBondContact O-N 2.98Å; S397-R411 PolarHBondContact OG-NH1 2.84Å
398Y92.9Very high83.3Confident1 Ų137.9 Ų37.90%0.00419%0.189CC..Hα-helixtrans-64.6-48175.2173.7-86.6000111.1V222 H224 F264 E265 V270 L321 M323 T394 E396 M400 H401V222-Y398 HydrophobicContact CB-CD2 4.29Å; V222-Y398 HydrophobicContact CG1-CD1 4.2Å; V222-Y398 HydrophobicContact CG1-CD2 3.53Å; V222-Y398 HydrophobicContact CG1-CE1 4.35Å; V222-Y398 HydrophobicContact CG1-CE2 3.68Å; V222-Y398 HydrophobicContact CG1-CG 3.79Å; H224-Y398 HydrophobicContact CB-CE2 4.27Å; H224-Y398 AromaticContact ND1-CE2 3.96Å; H224-Y398 AromaticContact ND1-CZ 3.85Å; H224-Y398 PolarHBondContact ND1-OH 2.81Å; F264-Y398 HydrophobicContact CB-CE1 4.3Å; F264-Y398 HydrophobicContact CD1-CD1 4.42Å; F264-Y398 AromaticContact CD1-CD2 3.99Å; F264-Y398 HydrophobicContact CD1-CD2 3.99Å; F264-Y398 HydrophobicContact CD1-CE1 4.09Å; F264-Y398 AromaticContact CD1-CE2 3.63Å; F264-Y398 HydrophobicContact CD1-CE2 3.63Å; F264-Y398 HydrophobicContact CD1-CG 4.38Å; F264-Y398 AromaticContact CD1-CZ 3.71Å; F264-Y398 HydrophobicContact CE1-CD2 4.3Å; F264-Y398 AromaticContact CE1-CE2 3.95Å; F264-Y398 HydrophobicContact CE1-CE2 3.95Å; E265-Y398 HydrophobicContact CG-CE1 4.13Å; E265-Y398 WeakPolarHBondContact OE2-CE1 3.46Å; E265-Y398 PolarHBondContact OE2-OH 3.23Å; V270-Y398 HydrophobicContact CB-CD1 4.42Å; V270-Y398 HydrophobicContact CG1-CD1 3.89Å; V270-Y398 HydrophobicContact CG1-CE1 4.43Å; V270-Y398 HydrophobicContact CG1-CG 4.33Å; V270-Y398 HydrophobicContact CG2-CD1 3.65Å; V270-Y398 HydrophobicContact CG2-CE1 4.19Å; L321-Y398 HydrophobicContact CD1-CE2 4.33Å; M323-Y398 HydrophobicContact CE-CD2 4.12Å; T394-Y398 WeakPolarHBondContact O-CB 3.14Å; T394-Y398 PolarHBondContact O-N 2.89Å; E396-Y398 PolarHBondContact O-N 3.5Å; Y398-M400 PolarHBondContact O-N 3.38Å; Y398-H401 WeakPolarHBondContact O-CB 3.38Å; Y398-H401 PolarHBondContact O-N 2.9Å; Y398-H401 VanDerWaalsContact O-N 3.13Å
399S91.5Very high82Confident20 Ų2034.8 Ų34.814%0.1419%0.191CC..Hα-helixtrans-64.9-26.1-17972.40000113.2E265 K395 E396E265-S399 WeakPolarHBondContact O-CA 3.18Å; E265-S399 VanDerWaalsContact O-CB 3.29Å; E265-S399 WeakPolarHBondContact O-CB 3.4Å; K395-S399 WeakPolarHBondContact O-CB 3.3Å; K395-S399 PolarHBondContact O-N 2.98Å; K395-S399 PolarHBondContact O-OG 2.82Å; E396-S399 PolarHBondContact O-N 3.29Å; E396-S399 PolarHBondContact O-OG 2.84Å
400M88.2Confident81.3Confident31 Ų3138.6 Ų38.615%0.15321%0.208CC..THydrogen-bonded Turntrans-95.512.7178.1-64.3-175.481.900113.8E396 S397 Y398 Y402 S403 E406 T407 R411E396-M400 HydrophobicContact CG-SD 3.87Å; E396-M400 WeakPolarHBondContact O-CB 3Å; E396-M400 VanDerWaalsContact O-CG 3.28Å; E396-M400 WeakPolarHBondContact O-CG 3.38Å; E396-M400 PolarHBondContact O-N 3.42Å; S397-M400 PolarHBondContact O-N 3.31Å; Y398-M400 PolarHBondContact O-N 3.38Å; M400-Y402 PolarHBondContact O-N 3.18Å; M400-S403 PolarHBondContact O-N 3.02Å; M400-S403 VanDerWaalsContact O-N 3.14Å; M400-E406 HydrophobicContact CE-CB 3.93Å; M400-T407 HydrophobicContact CB-CG2 4.17Å; M400-T407 HydrophobicContact CE-CG2 3.73Å; M400-T407 HydrophobicContact SD-CG2 4.43Å; M400-R411 HydrophobicContact SD-CG 4.34Å
401H86.7Confident81Confident62 Ų6239.2 Ų39.229%0.28721%0.211SC..SBendtrans-49.8-39.7-176-175.886.3000112.7F264 S397 Y398 Q404F264-H401 HydrophobicContact CD1-CB 3.59Å; F264-H401 AromaticContact CD1-CG 4Å; F264-H401 HydrophobicContact CD2-CB 4.1Å; F264-H401 HydrophobicContact CE1-CB 3.63Å; F264-H401 AromaticContact CE1-CD2 3.79Å; F264-H401 AromaticContact CE1-CG 3.49Å; F264-H401 VanDerWaalsContact CE1-CG 3.49Å; F264-H401 AromaticContact CE1-ND1 3.91Å; F264-H401 HydrophobicContact CE2-CB 4.14Å; F264-H401 AromaticContact CE2-CD2 3.31Å; F264-H401 WeakPolarHBondContact CE2-CD2 3.29Å; F264-H401 AromaticContact CE2-CG 3.83Å; F264-H401 HydrophobicContact CG-CB 3.84Å; F264-H401 HydrophobicContact CZ-CB 3.92Å; F264-H401 AromaticContact CZ-CD2 3.17Å; F264-H401 WeakPolarHBondContact CZ-CD2 3.46Å; F264-H401 AromaticContact CZ-CG 3.41Å; F264-H401 VanDerWaalsContact CZ-CG 3.41Å; F264-H401 AromaticContact CZ-ND1 3.93Å; F264-H401 AromaticContact CZ-NE2 3.62Å; S397-H401 PolarHBondContact O-N 2.98Å; Y398-H401 WeakPolarHBondContact O-CB 3.38Å; Y398-H401 PolarHBondContact O-N 2.9Å; Y398-H401 VanDerWaalsContact O-N 3.13Å; H401-Q404 PolarHBondContact O-NE2 3.36Å
402Y85Confident80.8Confident4 Ų440.7 Ų40.72%0.01623%0.225CC..SBendtrans-97.5-21.4179.7-86.2-32.8000116.1R92 E244 Y250 Y251 F264 M400 Q404R92-Y402 VanDerWaalsContact NH2-CD1 3.34Å; E244-Y402 HydrophobicContact CB-CE1 4.28Å; E244-Y402 HydrophobicContact CG-CE1 4.28Å; E244-Y402 WeakPolarHBondContact OE1-CE1 3.34Å; E244-Y402 PolarHBondContact OE1-OH 2.89Å; Y250-Y402 WeakPolarHBondContact O-CE2 3.49Å; Y251-Y402 WeakPolarHBondContact CB-OH 3.41Å; Y251-Y402 HydrophobicContact CD1-CE2 4Å; Y251-Y402 WeakPolarHBondContact CD1-OH 3.26Å; F264-Y402 AromaticContact CD2-CD2 3.75Å; F264-Y402 HydrophobicContact CD2-CD2 3.75Å; F264-Y402 AromaticContact CD2-CE2 3.86Å; F264-Y402 HydrophobicContact CD2-CE2 3.86Å; F264-Y402 AromaticContact CE2-CD2 3.96Å; F264-Y402 HydrophobicContact CE2-CD2 3.96Å; F264-Y402 AromaticContact CE2-CE2 3.66Å; F264-Y402 HydrophobicContact CE2-CE2 3.66Å; M400-Y402 PolarHBondContact O-N 3.18Å; Y402-Q404 PolarHBondContact O-N 2.63Å
403S72.2Confident80.8Confident29 Ų2940 Ų4020%0.20322%0.219CC..  trans-81.244.7178.9-59.30000113.2M400 S405 E406 T407M400-S403 PolarHBondContact O-N 3.02Å; M400-S403 VanDerWaalsContact O-N 3.14Å; S403-S405 VanDerWaalsContact C-N 3.3Å; S403-S405 PolarHBondContact O-N 2.92Å; S403-E406 WeakPolarHBondContact O-CB 3.15Å; S403-E406 PolarHBondContact O-N 3.05Å; S403-T407 WeakPolarHBondContact O-CG2 3.38Å; S403-T407 PolarHBondContact O-N 3.47Å
404Q63.6Low80.8Confident30 Ų3039.9 Ų39.914%0.1422%0.221CC..THydrogen-bonded Turntrans-63.5-27.2-170.7-63.3-168.98.700114Y56 I57 H401 Y402 T407Y56-Q404 HydrophobicContact CD1-CB 4.5Å; I57-Q404 HydrophobicContact CD1-CB 4.47Å; I57-Q404 HydrophobicContact CD1-CG 4.39Å; H401-Q404 PolarHBondContact O-NE2 3.36Å; Y402-Q404 PolarHBondContact O-N 2.63Å; Q404-T407 WeakPolarHBondContact O-CB 3.41Å; Q404-T407 PolarHBondContact O-N 2.58Å; Q404-T407 PolarHBondContact O-OG1 3.44Å
405S58Low80.8Confident42 Ų4242.2 Ų42.229%0.29423%0.23SC..THydrogen-bonded Turntrans-66.5-38.8170.746.60000113.3E102 S403 T407 L408E102-S405 VanDerWaalsContact CD-CB 3.45Å; E102-S405 WeakPolarHBondContact OE2-CB 3.37Å; E102-S405 PolarHBondContact OE2-N 3.46Å; E102-S405 PolarHBondContact OE2-OG 2.85Å; S403-S405 VanDerWaalsContact C-N 3.3Å; S403-S405 PolarHBondContact O-N 2.92Å; S405-T407 PolarHBondContact O-N 3.37Å; S405-L408 WeakPolarHBondContact O-CB 3.17Å; S405-L408 PolarHBondContact O-N 3.31Å; S405-L408 VanDerWaalsContact O-N 3.13Å
406E56.6Low80.8Confident124 Ų12442 Ų4258%0.57924%0.236SC*.G310 helixtrans-65.5-22.9173.4-60.4-177.1171.100111.1M400 S403 L408 A409M400-E406 HydrophobicContact CE-CB 3.93Å; S403-E406 WeakPolarHBondContact O-CB 3.15Å; S403-E406 PolarHBondContact O-N 3.05Å; E406-L408 PolarHBondContact O-N 3.28Å; E406-A409 WeakPolarHBondContact O-CA 3.49Å; E406-A409 WeakPolarHBondContact O-CB 3.42Å; E406-A409 PolarHBondContact O-N 3.3Å
407T53.2Low80.9Confident18 Ų1842.2 Ų42.211%0.1124%0.237CC..G310 helixtrans-73.4-10.1175770000114.8I57 M400 S403 Q404 S405 A409I57-T407 HydrophobicContact CD1-CG2 4.33Å; I57-T407 WeakPolarHBondContact CD1-OG1 2.99Å; M400-T407 HydrophobicContact CB-CG2 4.17Å; M400-T407 HydrophobicContact CE-CG2 3.73Å; M400-T407 HydrophobicContact SD-CG2 4.43Å; S403-T407 WeakPolarHBondContact O-CG2 3.38Å; S403-T407 PolarHBondContact O-N 3.47Å; Q404-T407 WeakPolarHBondContact O-CB 3.41Å; Q404-T407 PolarHBondContact O-N 2.58Å; Q404-T407 PolarHBondContact O-OG1 3.44Å; S405-T407 PolarHBondContact O-N 3.37Å; T407-A409 CarbonylContact C-O 3.58Å
408L57.2Low81Confident86 Ų8645.1 Ų45.145%0.4526%0.262SS..G310 helixtrans-71.6-19.3165.5-68.1177.2000111.8Y56 S405 E406Y56-L408 HydrophobicContact CE1-CD1 3.84Å; Y56-L408 HydrophobicContact CE1-CD2 3.96Å; Y56-L408 HydrophobicContact CE1-CG 3.89Å; Y56-L408 WeakPolarHBondContact OH-CD1 3.32Å; S405-L408 WeakPolarHBondContact O-CB 3.17Å; S405-L408 PolarHBondContact O-N 3.31Å; S405-L408 VanDerWaalsContact O-N 3.13Å; E406-L408 PolarHBondContact O-N 3.28Å
409A65.8Low81Confident62 Ų6245.7 Ų45.751%0.51226%0.264SS..SBendtrans-74.2153.6167.200000109.9E406 T407 R411E406-A409 WeakPolarHBondContact O-CA 3.49Å; E406-A409 WeakPolarHBondContact O-CB 3.42Å; E406-A409 PolarHBondContact O-N 3.3Å; T407-A409 CarbonylContact C-O 3.58Å; A409-R411 PolarHBondContact O-N 3.1Å
410E81.4Confident81.2Confident83 Ų8346.3 Ų46.339%0.38827%0.267SS..  trans-61.8133.7174.9-66.8178.4173.800110.6P412 M434E410-P412 WeakPolarHBondContact O-CD 3.25Å; E410-M434 VanDerWaalsContact OE1-O 3.14Å
411R88.4Confident81.5Confident51 Ų5145.1 Ų45.119%0.19226%0.261CS..  trans-95.7109.5-177-69.5-160.2-162.7177.46110.9K393 E396 S397 M400 A409 R415K393-R411 PolarHBondContact NZ-O 3.15Å; E396-R411 VanDerWaalsContact OE1-C 3.32Å; E396-R411 WeakPolarHBondContact OE2-CB 2.89Å; S397-R411 PolarHBondContact OG-NH1 2.84Å; M400-R411 HydrophobicContact SD-CG 4.34Å; A409-R411 PolarHBondContact O-N 3.1Å; R411-R415 WeakPolarHBondContact O-CD 3.42Å
412P91.8Very high82Confident95 Ų9543.7 Ų43.762%0.61726%0.264SS*.  trans-77.1-21.3-17030.1-37.5000115.3E396 E410 G414 R415E396-P412 WeakPolarHBondContact OE1-CD 3.45Å; E396-P412 VanDerWaalsContact OE1-N 3.12Å; E410-P412 WeakPolarHBondContact O-CD 3.25Å; P412-G414 PolarHBondContact O-N 3.27Å; P412-R415 WeakPolarHBondContact O-CB 3.11Å; P412-R415 PolarHBondContact O-N 3.21Å
413A93.9Very high82.6Confident10 Ų1043.6 Ų43.68%0.08326%0.263CS..THydrogen-bonded Turntrans-58.3137.3-168.700000112.8A392 K393 E396 R415A392-A413 HydrophobicContact CB-CB 4.23Å; K393-A413 WeakPolarHBondContact CE-O 3.44Å; K393-A413 PolarHBondContact NZ-O 3.32Å; E396-A413 HydrophobicContact CB-CB 3.64Å; E396-A413 HydrophobicContact CG-CB 3.99Å; E396-A413 WeakPolarHBondContact OE1-CB 3.38Å; E396-A413 PolarHBondContact OE1-N 3.12Å; E396-A413 WeakPolarHBondContact OE2-CB 3.47Å; A413-R415 PolarHBondContact O-N 3.04Å
414G94.8Very high83.8Confident10 Ų1044.3 Ų44.310%0.10326%0.263CS..THydrogen-bonded Turntrans73.5-2.8178.700000116.2R388 P412R388-G414 PolarHBondContact NH1-O 2.63Å; R388-G414 PolarHBondContact NH2-O 3.1Å; R388-G414 VanDerWaalsContact NH2-O 3.07Å; P412-G414 PolarHBondContact O-N 3.27Å
415R95.7Very high85.4Confident48 Ų4845 Ų4518%0.18128%0.278CS..  trans-91.2155.3-178.4-66.1168.961.6-160-5.7112.8R411 P412 A413 M434 L436 E441R411-R415 WeakPolarHBondContact O-CD 3.42Å; P412-R415 WeakPolarHBondContact O-CB 3.11Å; P412-R415 PolarHBondContact O-N 3.21Å; A413-R415 PolarHBondContact O-N 3.04Å; R415-M434 PolarHBondContact NH2-O 3.07Å; R415-L436 HydrophobicContact CG-CD1 4.42Å; R415-L436 HydrophobicContact CG-CD2 4.27Å; R415-E441 WeakPolarHBondContact CB-OE1 3.29Å; R415-E441 IonicContact CZ-OE1 2.58Å; R415-E441 IonicContact CZ-OE2 3.35Å; R415-E441 IonicContact NE-OE1 2.78Å; R415-E441 PolarHBondContact NE-OE1 3.46Å; R415-E441 IonicContact NE-OE2 2.92Å; R415-E441 PolarHBondContact NE-OE2 3.05Å; R415-E441 IonicContact NH2-OE1 2.87Å; R415-E441 IonicContact NH2-OE2 2.97Å; R415-E441 PolarHBondContact NH2-OE2 3.08Å
416P95.8Very high87.2Confident60 Ų6044.2 Ų44.239%0.3927%0.274SS..SBendcis-69.6164.5-1231.9-35.8000111.9R388 V420 F424 E441R388-P416 PolarHBondContact NH2-O 2.89Å; P416-V420 HydrophobicContact CB-CG1 4.08Å; P416-F424 HydrophobicContact CB-CZ 4.14Å; P416-F424 HydrophobicContact CG-CE1 4.44Å; P416-F424 HydrophobicContact CG-CZ 4.31Å; P416-E441 WeakPolarHBondContact CA-OE1 3.49Å; P416-E441 HydrophobicContact CB-CG 3.91Å
417T95.3Very high89.2Confident9 Ų938.5 Ų38.56%0.05525%0.247CC..  trans-94-175.8172.188.20000110.7W384 F389 R419 L436 G439W384-T417 HydrophobicContact CE3-CG2 3.87Å; W384-T417 HydrophobicContact CZ3-CG2 4.12Å; F389-T417 HydrophobicContact CD2-CG2 3.82Å; F389-T417 HydrophobicContact CE2-CG2 4.11Å; F389-T417 HydrophobicContact CG-CG2 4.49Å; T417-R419 PolarHBondContact O-N 2.92Å; T417-R419 PolarHBondContact OG1-N 2.89Å; T417-L436 HydrophobicContact CG2-CD1 4.02Å; T417-G439 PolarHBondContact OG1-O 3.46Å
418A92.5Very high91.3Very high72 Ų7241.4 Ų41.460%0.59526%0.262SS*.SBendtrans-70.5-16.117200000113.8V420 R633A418-V420 PolarHBondContact O-N 2.79Å; A418-R633 PolarHBondContact O-NH2 3.11Å
419R93.4Very high93.2Very high13 Ų1342.1 Ų42.15%0.04927%0.274CS..  trans-85.488.8174.5-85.4-176.6177.1-173.1-4.3109.8E382 W384 T417 S438 G439 W440 E538E382-R419 IonicContact OE1-NH2 2.73Å; E382-R419 PolarHBondContact OE1-NH2 2.97Å; E382-R419 VanDerWaalsContact OE1-NH2 3.11Å; E382-R419 IonicContact OE2-CZ 3.79Å; E382-R419 IonicContact OE2-NH1 3.91Å; E382-R419 PolarHBondContact OE2-NH1 3.42Å; E382-R419 IonicContact OE2-NH2 2.72Å; E382-R419 PolarHBondContact OE2-NH2 3.31Å; W384-R419 HydrophobicContact CB-CB 4.23Å; W384-R419 HydrophobicContact CB-CG 3.66Å; W384-R419 HydrophobicContact CG-CG 4.31Å; T417-R419 PolarHBondContact O-N 2.92Å; T417-R419 PolarHBondContact OG1-N 2.89Å; R419-S438 WeakPolarHBondContact CD-O 3.45Å; R419-S438 PolarHBondContact NH1-O 3.48Å; R419-G439 WeakPolarHBondContact CB-O 3.5Å; R419-W440 HydrophobicContact CB-CD2 3.74Å; R419-W440 HydrophobicContact CB-CE3 3.93Å; R419-W440 HydrophobicContact CB-CG 4.1Å; R419-W440 HydrophobicContact CB-CZ2 4.45Å; R419-W440 HydrophobicContact CB-CZ3 4.38Å; R419-W440 HydrophobicContact CG-CD2 4.17Å; R419-W440 HydrophobicContact CG-CH2 4.5Å; R419-W440 HydrophobicContact CG-CZ2 4.07Å; R419-W440 VanDerWaalsContact O-CA 3.31Å; R419-W440 WeakPolarHBondContact O-CA 3.23Å; R419-E538 IonicContact CZ-OE1 2.85Å; R419-E538 IonicContact NH1-OE1 2.8Å; R419-E538 IonicContact NH2-OE1 3.43Å; R419-E538 PolarHBondContact NH2-OE1 3.19Å
420V95.9Very high94.7Very high33 Ų3342.8 Ų42.820%0.227%0.269CS..  trans-131.7142.4173-67.90000109.8P416 A418 F424 E441 R633P416-V420 HydrophobicContact CB-CG1 4.08Å; A418-V420 PolarHBondContact O-N 2.79Å; V420-F424 HydrophobicContact CB-CB 3.85Å; V420-F424 HydrophobicContact CB-CD1 4.37Å; V420-F424 HydrophobicContact CB-CD2 4.3Å; V420-F424 HydrophobicContact CB-CG 3.92Å; V420-F424 HydrophobicContact CG1-CB 4.49Å; V420-F424 HydrophobicContact CG1-CD1 4.26Å; V420-F424 HydrophobicContact CG1-CD2 4.09Å; V420-F424 HydrophobicContact CG1-CE2 4.41Å; V420-F424 HydrophobicContact CG1-CG 4.02Å; V420-F424 HydrophobicContact CG2-CB 4.45Å; V420-E441 HydrophobicContact CG1-CB 4.37Å; V420-E441 HydrophobicContact CG1-CG 3.95Å; V420-R633 PolarHBondContact O-NE 3.3Å; V420-R633 PolarHBondContact O-NH2 2.88Å
421S95.1Very high95.4Very high6 Ų640.3 Ų40.34%0.04227%0.265CS..  trans-63.4159.4175.568.60000111.2I423 F424 D469 S471S421-I423 PolarHBondContact O-N 3.18Å; S421-I423 WeakPolarHBondContact OG-CG1 3.47Å; S421-F424 WeakPolarHBondContact O-CB 3.21Å; S421-F424 PolarHBondContact O-N 3.01Å; S421-F424 VanDerWaalsContact O-N 3.13Å; S421-F424 PolarHBondContact OG-N 3.21Å; S421-D469 WeakPolarHBondContact CB-OD2 3.04Å; S421-D469 PolarHBondContact OG-OD2 3.29Å; S421-S471 WeakPolarHBondContact CB-OG 3.39Å
422G96.1Very high95.8Very high33 Ų3338.5 Ų38.534%0.3426%0.261SS..THydrogen-bonded Turntrans-63.7-8.8176.600000113.9
423I97.3Very high96Very high1 Ų137.1 Ų37.11%0.00525%0.246CC..THydrogen-bonded Turntrans-111.14.7178.955.7171.7000113.4S421 G425 A426 L427 D469 T636 L637 Y640S421-I423 PolarHBondContact O-N 3.18Å; S421-I423 WeakPolarHBondContact OG-CG1 3.47Å; I423-G425 VanDerWaalsContact C-N 3.28Å; I423-G425 PolarHBondContact O-N 2.9Å; I423-G425 VanDerWaalsContact O-N 3.13Å; I423-A426 WeakPolarHBondContact O-CA 3.38Å; I423-A426 WeakPolarHBondContact O-CB 3.31Å; I423-A426 PolarHBondContact O-N 2.83Å; I423-L427 HydrophobicContact CB-CG 4.47Å; I423-L427 HydrophobicContact CD1-CD1 4.03Å; I423-L427 HydrophobicContact CD1-CD2 4.11Å; I423-L427 HydrophobicContact CD1-CG 4.15Å; I423-L427 HydrophobicContact CG1-CD1 3.95Å; I423-L427 HydrophobicContact CG1-CG 4.11Å; I423-L427 WeakPolarHBondContact O-CG 3.48Å; I423-L427 PolarHBondContact O-N 3.13Å; I423-D469 HydrophobicContact CD1-CB 4.17Å; I423-T636 HydrophobicContact CB-CG2 4.5Å; I423-T636 HydrophobicContact CG1-CG2 4.16Å; I423-T636 HydrophobicContact CG2-CG2 3.82Å; I423-L637 HydrophobicContact CG2-CB 4.41Å; I423-L637 HydrophobicContact CG2-CD1 4.15Å; I423-Y640 HydrophobicContact CB-CD1 4.49Å; I423-Y640 HydrophobicContact CB-CG 4.37Å; I423-Y640 HydrophobicContact CD1-CD2 3.86Å; I423-Y640 HydrophobicContact CD1-CE2 4.24Å; I423-Y640 HydrophobicContact CD1-CG 4.29Å; I423-Y640 VanDerWaalsContact CG2-CB 3.45Å; I423-Y640 HydrophobicContact CG2-CD1 3.86Å; I423-Y640 HydrophobicContact CG2-CD2 4.28Å; I423-Y640 HydrophobicContact CG2-CG 3.61Å
424F97.4Very high96.1Very high45 Ų4537.1 Ų37.120%0.19725%0.245CC..Hα-helixtrans-46.9-47.7-178.4171.6-101.7000113.4P416 V420 S421 A426 L427 I428 M434 E441P416-F424 HydrophobicContact CB-CZ 4.14Å; P416-F424 HydrophobicContact CG-CE1 4.44Å; P416-F424 HydrophobicContact CG-CZ 4.31Å; V420-F424 HydrophobicContact CB-CB 3.85Å; V420-F424 HydrophobicContact CB-CD1 4.37Å; V420-F424 HydrophobicContact CB-CD2 4.3Å; V420-F424 HydrophobicContact CB-CG 3.92Å; V420-F424 HydrophobicContact CG1-CB 4.49Å; V420-F424 HydrophobicContact CG1-CD1 4.26Å; V420-F424 HydrophobicContact CG1-CD2 4.09Å; V420-F424 HydrophobicContact CG1-CE2 4.41Å; V420-F424 HydrophobicContact CG1-CG 4.02Å; V420-F424 HydrophobicContact CG2-CB 4.45Å; S421-F424 WeakPolarHBondContact O-CB 3.21Å; S421-F424 PolarHBondContact O-N 3.01Å; S421-F424 VanDerWaalsContact O-N 3.13Å; S421-F424 PolarHBondContact OG-N 3.21Å; F424-A426 VanDerWaalsContact C-N 3.34Å; F424-A426 PolarHBondContact O-N 2.57Å; F424-L427 PolarHBondContact O-N 3.42Å; F424-I428 HydrophobicContact CD2-CG1 4.31Å; F424-I428 HydrophobicContact CE1-CG1 4.12Å; F424-I428 HydrophobicContact CE2-CD1 4.01Å; F424-I428 HydrophobicContact CE2-CG1 3.89Å; F424-I428 HydrophobicContact CZ-CD1 4.07Å; F424-I428 HydrophobicContact CZ-CG1 3.78Å; F424-I428 WeakPolarHBondContact O-CG1 3.44Å; F424-I428 PolarHBondContact O-N 2.68Å; F424-M434 HydrophobicContact CD2-CE 3.7Å; F424-M434 HydrophobicContact CE2-CE 3.93Å; F424-M434 HydrophobicContact CE2-CG 4.13Å; F424-M434 HydrophobicContact CE2-SD 4.46Å; F424-E441 HydrophobicContact CD2-CB 3.81Å; F424-E441 HydrophobicContact CD2-CG 4.3Å; F424-E441 HydrophobicContact CE2-CB 3.66Å; F424-E441 HydrophobicContact CE2-CG 3.8Å
425G97.2Very high96Very high45 Ų4541 Ų4146%0.46426%0.26SS..Hα-helixtrans-63.8-35178.400000114.1I423 S429I423-G425 VanDerWaalsContact C-N 3.28Å; I423-G425 PolarHBondContact O-N 2.9Å; I423-G425 VanDerWaalsContact O-N 3.13Å; G425-S429 WeakPolarHBondContact O-CB 3.46Å; G425-S429 PolarHBondContact O-N 2.7Å; G425-S429 VanDerWaalsContact O-N 3.13Å; G425-S429 PolarHBondContact O-OG 2.99Å
426A97.4Very high95.9Very high25 Ų2540.9 Ų40.921%0.20726%0.263CS..Hα-helixtrans-69.2-44.5175.200000110.9I423 F424 I428 S429 N430 L637 Y640I423-A426 WeakPolarHBondContact O-CA 3.38Å; I423-A426 WeakPolarHBondContact O-CB 3.31Å; I423-A426 PolarHBondContact O-N 2.83Å; F424-A426 VanDerWaalsContact C-N 3.34Å; F424-A426 PolarHBondContact O-N 2.57Å; A426-I428 PolarHBondContact O-N 3.38Å; A426-S429 WeakPolarHBondContact O-CB 3.34Å; A426-S429 PolarHBondContact O-N 2.85Å; A426-S429 VanDerWaalsContact O-N 3.13Å; A426-N430 VanDerWaalsContact O-CG 3.27Å; A426-N430 PolarHBondContact O-N 2.86Å; A426-N430 PolarHBondContact O-OD1 3.03Å; A426-L637 HydrophobicContact CB-CD1 4.49Å; A426-Y640 HydrophobicContact CB-CD1 4.5Å; A426-Y640 HydrophobicContact CB-CE1 3.95Å
427L97.9Very high95.6Very high3 Ų340 Ų402%0.01626%0.256CS..Hα-helixtrans-61.4-44.4178-61.6179.3000111.9I423 F424 S429 N430 G431 A432 M434 P443 F446 D469I423-L427 HydrophobicContact CB-CG 4.47Å; I423-L427 HydrophobicContact CD1-CD1 4.03Å; I423-L427 HydrophobicContact CD1-CD2 4.11Å; I423-L427 HydrophobicContact CD1-CG 4.15Å; I423-L427 HydrophobicContact CG1-CD1 3.95Å; I423-L427 HydrophobicContact CG1-CG 4.11Å; I423-L427 WeakPolarHBondContact O-CG 3.48Å; I423-L427 PolarHBondContact O-N 3.13Å; F424-L427 PolarHBondContact O-N 3.42Å; L427-S429 VanDerWaalsContact C-N 3.31Å; L427-S429 PolarHBondContact O-N 2.75Å; L427-N430 CarbonylContact O-C 3.36Å; L427-N430 PolarHBondContact O-N 3.06Å; L427-N430 VanDerWaalsContact O-N 3.13Å; L427-G431 PolarHBondContact O-N 3.38Å; L427-A432 HydrophobicContact CB-CB 4.06Å; L427-A432 WeakPolarHBondContact O-CB 3.32Å; L427-A432 PolarHBondContact O-N 3.36Å; L427-M434 HydrophobicContact CB-CE 3.58Å; L427-M434 HydrophobicContact CD1-CE 4.13Å; L427-P443 HydrophobicContact CD1-CB 4.5Å; L427-P443 HydrophobicContact CD1-CG 4.03Å; L427-F446 HydrophobicContact CB-CE1 4.23Å; L427-F446 HydrophobicContact CD2-CE1 3.9Å; L427-F446 HydrophobicContact CD2-CZ 3.91Å; L427-D469 HydrophobicContact CD1-CB 4.06Å; L427-D469 WeakPolarHBondContact CD1-OD2 3.14Å
428I97.4Very high95.4Very high79 Ų7940.8 Ų40.841%0.40526%0.262SS..Hα-helixtrans-59.1-43.7173.7-67.5-64.4000111F424 A426 N430 G431 M434F424-I428 HydrophobicContact CD2-CG1 4.31Å; F424-I428 HydrophobicContact CE1-CG1 4.12Å; F424-I428 HydrophobicContact CE2-CD1 4.01Å; F424-I428 HydrophobicContact CE2-CG1 3.89Å; F424-I428 HydrophobicContact CZ-CD1 4.07Å; F424-I428 HydrophobicContact CZ-CG1 3.78Å; F424-I428 WeakPolarHBondContact O-CG1 3.44Å; F424-I428 PolarHBondContact O-N 2.68Å; A426-I428 PolarHBondContact O-N 3.38Å; I428-N430 PolarHBondContact O-N 2.99Å; I428-G431 PolarHBondContact O-N 2.53Å; I428-M434 HydrophobicContact CD1-CE 3.77Å; I428-M434 HydrophobicContact CD1-CG 3.66Å; I428-M434 HydrophobicContact CG1-CE 3.99Å
429S97Very high95.5Very high101 Ų10137.4 Ų37.471%0.70623%0.234SC*.Hα-helixtrans-63.9-28.3178-580000112.5G425 A426 L427 G431G425-S429 WeakPolarHBondContact O-CB 3.46Å; G425-S429 PolarHBondContact O-N 2.7Å; G425-S429 VanDerWaalsContact O-N 3.13Å; G425-S429 PolarHBondContact O-OG 2.99Å; A426-S429 WeakPolarHBondContact O-CB 3.34Å; A426-S429 PolarHBondContact O-N 2.85Å; A426-S429 VanDerWaalsContact O-N 3.13Å; L427-S429 VanDerWaalsContact C-N 3.31Å; L427-S429 PolarHBondContact O-N 2.75Å; S429-G431 PolarHBondContact O-N 3.11Å
430N96.3Very high95.6Very high77 Ų7736.9 Ų36.941%0.41223%0.232SC..THydrogen-bonded Turntrans-83.63.7175.4-64.1-9000113.2A426 L427 I428 F446 Y640 D654A426-N430 VanDerWaalsContact O-CG 3.27Å; A426-N430 PolarHBondContact O-N 2.86Å; A426-N430 PolarHBondContact O-OD1 3.03Å; L427-N430 CarbonylContact O-C 3.36Å; L427-N430 PolarHBondContact O-N 3.06Å; L427-N430 VanDerWaalsContact O-N 3.13Å; I428-N430 PolarHBondContact O-N 2.99Å; N430-F446 HydrophobicContact CB-CD1 4.16Å; N430-F446 HydrophobicContact CB-CE1 4.43Å; N430-Y640 PolarHBondContact ND2-OH 3.25Å; N430-D654 PolarHBondContact ND2-OD2 2.61Å
431G96.8Very high95.6Very high30 Ų3035.5 Ų35.531%0.30922%0.224SC..THydrogen-bonded Turntrans8627.317600000114.4L427 I428 S429 F446 G447L427-G431 PolarHBondContact O-N 3.38Å; I428-G431 PolarHBondContact O-N 2.53Å; S429-G431 PolarHBondContact O-N 3.11Å; G431-F446 WeakPolarHBondContact O-CA 3.21Å; G431-G447 PolarHBondContact O-N 2.63Å
432A97.3Very high95.6Very high13 Ų1335.8 Ų35.811%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-63.1132.7175.100000112.4L427 M434 P443 Y445 F446L427-A432 HydrophobicContact CB-CB 4.06Å; L427-A432 WeakPolarHBondContact O-CB 3.32Å; L427-A432 PolarHBondContact O-N 3.36Å; A432-M434 HydrophobicContact CB-CE 3.71Å; A432-M434 HydrophobicContact CB-SD 4.19Å; A432-P443 HydrophobicContact CB-CB 4.14Å; A432-Y445 WeakPolarHBondContact CA-O 3.39Å; A432-F446 HydrophobicContact CB-CD1 3.86Å; A432-F446 HydrophobicContact CB-CE1 3.57Å; A432-F446 HydrophobicContact CB-CZ 4.17Å
433H95.7Very high95.6Very high66 Ų6634.3 Ų34.331%0.30621%0.209SC..EExtended strand (participates in β ladder)trans-90126.8159.5-68-100.1000108.1P443 T444 Y445 G447H433-P443 CarbonylContact O-C 3.56Å; H433-P443 WeakPolarHBondContact O-CA 3.28Å; H433-T444 PolarHBondContact O-N 3.25Å; H433-T444 PolarHBondContact O-OG1 2.88Å; H433-Y445 HydrophobicContact CB-CD1 4.12Å; H433-Y445 HydrophobicContact CB-CE1 3.71Å; H433-Y445 HydrophobicContact CB-CE2 4.34Å; H433-Y445 AromaticContact CD2-CD2 3.71Å; H433-Y445 AromaticContact CD2-CE2 3.1Å; H433-Y445 WeakPolarHBondContact CD2-CE2 3.45Å; H433-Y445 AromaticContact CD2-CZ 3.29Å; H433-Y445 AromaticContact CE1-CZ 3.93Å; H433-Y445 PolarHBondContact CE1-OH 3.47Å; H433-Y445 AromaticContact CG-CE1 3.77Å; H433-Y445 AromaticContact CG-CE2 3.69Å; H433-Y445 AromaticContact CG-CZ 3.33Å; H433-Y445 PolarHBondContact N-O 3.46Å; H433-Y445 AromaticContact ND1-CZ 3.77Å; H433-Y445 PolarHBondContact ND1-OH 2.88Å; H433-Y445 AromaticContact NE2-CE2 3.45Å; H433-Y445 WeakPolarHBondContact NE2-CE2 3.04Å; H433-Y445 AromaticContact NE2-CZ 3.66Å; H433-Y445 PolarHBondContact NE2-OH 2.86Å; H433-G447 PolarHBondContact CD2-O 2.87Å; H433-G447 VanDerWaalsContact CD2-O 3.29Å; H433-G447 PolarHBondContact NE2-O 2.97Å
434M95.4Very high95.5Very high10 Ų1034.5 Ų34.55%0.04921%0.21CC..EExtended strand (participates in β ladder)trans-107.6135.1-170.6-64.7-68.6-168.800110.9E410 R415 F424 L427 I428 A432 E441 N442 P443E410-M434 VanDerWaalsContact OE1-O 3.14Å; R415-M434 PolarHBondContact NH2-O 3.07Å; F424-M434 HydrophobicContact CD2-CE 3.7Å; F424-M434 HydrophobicContact CE2-CE 3.93Å; F424-M434 HydrophobicContact CE2-CG 4.13Å; F424-M434 HydrophobicContact CE2-SD 4.46Å; L427-M434 HydrophobicContact CB-CE 3.58Å; L427-M434 HydrophobicContact CD1-CE 4.13Å; I428-M434 HydrophobicContact CD1-CE 3.77Å; I428-M434 HydrophobicContact CD1-CG 3.66Å; I428-M434 HydrophobicContact CG1-CE 3.99Å; A432-M434 HydrophobicContact CB-CE 3.71Å; A432-M434 HydrophobicContact CB-SD 4.19Å; M434-E441 HydrophobicContact CB-CB 4.36Å; M434-E441 VanDerWaalsContact CB-OE2 3.29Å; M434-E441 WeakPolarHBondContact CB-OE2 3.07Å; M434-E441 HydrophobicContact CG-CB 4.46Å; M434-E441 HydrophobicContact SD-CB 4.34Å; M434-N442 CarbonylContact C-O 3.58Å; M434-N442 WeakPolarHBondContact CA-O 3.13Å; M434-P443 HydrophobicContact SD-CB 4.02Å
435Q93.5Very high95.5Very high93 Ų9333.8 Ų33.844%0.43521%0.206SC..EExtended strand (participates in β ladder)trans-108.5136.4170.5-177.3176.843.100110.6V437 N442 T444Q435-V437 HydrophobicContact CG-CG2 4.25Å; Q435-N442 PolarHBondContact N-O 2.9Å; Q435-N442 PolarHBondContact O-N 3.44Å; Q435-T444 HydrophobicContact CB-CG2 3.5Å
436L93.4Very high95.5Very high45 Ų4532.8 Ų32.824%0.23619%0.189CC..EExtended strand (participates in β ladder)trans-76.3122.4173.8-176.770.5000110.9F389 R415 T417 W440F389-L436 HydrophobicContact CE2-CD2 3.76Å; F389-L436 HydrophobicContact CZ-CD2 3.92Å; R415-L436 HydrophobicContact CG-CD1 4.42Å; R415-L436 HydrophobicContact CG-CD2 4.27Å; T417-L436 HydrophobicContact CG2-CD1 4.02Å; L436-W440 CarbonylContact C-O 3.54Å; L436-W440 VanDerWaalsContact CA-O 3.32Å; L436-W440 WeakPolarHBondContact CA-O 3.35Å
437V90.5Very high95.4Very high40 Ų4033 Ų3324%0.24219%0.194CC..EExtended strand (participates in β ladder)trans-136.7115.4174-1680000110Q435 G439 W440 N442 S535Q435-V437 HydrophobicContact CG-CG2 4.25Å; V437-G439 PolarHBondContact O-N 2.97Å; V437-G439 VanDerWaalsContact O-N 3.1Å; V437-W440 PolarHBondContact N-O 3.41Å; V437-W440 WeakPolarHBondContact O-CB 3.22Å; V437-W440 PolarHBondContact O-N 2.94Å; V437-N442 HydrophobicContact CG2-CB 4.44Å; V437-S535 WeakPolarHBondContact CG1-OG 3.49Å
438S90.7Very high95.1Very high27 Ų2736.8 Ų36.819%0.18923%0.225CC..THydrogen-bonded Turntrans48.937.6-177.9-570000114.1W384 R419 W440 S535 D536W384-S438 PolarHBondContact NE1-O 2.93Å; R419-S438 WeakPolarHBondContact CD-O 3.45Å; R419-S438 PolarHBondContact NH1-O 3.48Å; S438-W440 VanDerWaalsContact C-N 3.32Å; S438-W440 PolarHBondContact O-N 2.68Å; S438-S535 WeakPolarHBondContact CB-O 3.45Å; S438-S535 VanDerWaalsContact OG-C 3.29Å; S438-S535 PolarHBondContact OG-O 3.5Å; S438-D536 WeakPolarHBondContact OG-CA 3.2Å; S438-D536 PolarHBondContact OG-N 3.45Å
439G94.5Very high94.8Very high0 Ų039.1 Ų39.10%024%0.235CC..THydrogen-bonded Turntrans90.1-21.3-176.800000115.2T417 R419 V437T417-G439 PolarHBondContact OG1-O 3.46Å; R419-G439 WeakPolarHBondContact CB-O 3.5Å; V437-G439 PolarHBondContact O-N 2.97Å; V437-G439 VanDerWaalsContact O-N 3.1Å
440W95.6Very high94.7Very high2 Ų240.9 Ų40.91%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-77.4144.2-179.8-64.799.8000112.8R419 L436 V437 S438 S562R419-W440 HydrophobicContact CB-CD2 3.74Å; R419-W440 HydrophobicContact CB-CE3 3.93Å; R419-W440 HydrophobicContact CB-CG 4.1Å; R419-W440 HydrophobicContact CB-CZ2 4.45Å; R419-W440 HydrophobicContact CB-CZ3 4.38Å; R419-W440 HydrophobicContact CG-CD2 4.17Å; R419-W440 HydrophobicContact CG-CH2 4.5Å; R419-W440 HydrophobicContact CG-CZ2 4.07Å; R419-W440 VanDerWaalsContact O-CA 3.31Å; R419-W440 WeakPolarHBondContact O-CA 3.23Å; L436-W440 CarbonylContact C-O 3.54Å; L436-W440 VanDerWaalsContact CA-O 3.32Å; L436-W440 WeakPolarHBondContact CA-O 3.35Å; V437-W440 PolarHBondContact N-O 3.41Å; V437-W440 WeakPolarHBondContact O-CB 3.22Å; V437-W440 PolarHBondContact O-N 2.94Å; S438-W440 VanDerWaalsContact C-N 3.32Å; S438-W440 PolarHBondContact O-N 2.68Å; W440-S562 WeakPolarHBondContact CZ2-O 3.37Å
441E96.3Very high94.6Very high5 Ų548 Ų482%0.02325%0.247CC..EExtended strand (participates in β ladder)trans-91.5106.9169.3-64.8-67.5155.900109.4R415 P416 V420 F424 M434R415-E441 WeakPolarHBondContact CB-OE1 3.29Å; R415-E441 IonicContact CZ-OE1 2.58Å; R415-E441 IonicContact CZ-OE2 3.35Å; R415-E441 IonicContact NE-OE1 2.78Å; R415-E441 PolarHBondContact NE-OE1 3.46Å; R415-E441 IonicContact NE-OE2 2.92Å; R415-E441 PolarHBondContact NE-OE2 3.05Å; R415-E441 IonicContact NH2-OE1 2.87Å; R415-E441 IonicContact NH2-OE2 2.97Å; R415-E441 PolarHBondContact NH2-OE2 3.08Å; P416-E441 WeakPolarHBondContact CA-OE1 3.49Å; P416-E441 HydrophobicContact CB-CG 3.91Å; V420-E441 HydrophobicContact CG1-CB 4.37Å; V420-E441 HydrophobicContact CG1-CG 3.95Å; F424-E441 HydrophobicContact CD2-CB 3.81Å; F424-E441 HydrophobicContact CD2-CG 4.3Å; F424-E441 HydrophobicContact CE2-CB 3.66Å; F424-E441 HydrophobicContact CE2-CG 3.8Å; M434-E441 HydrophobicContact CB-CB 4.36Å; M434-E441 VanDerWaalsContact CB-OE2 3.29Å; M434-E441 WeakPolarHBondContact CB-OE2 3.07Å; M434-E441 HydrophobicContact CG-CB 4.46Å; M434-E441 HydrophobicContact SD-CB 4.34Å
442N93.8Very high94.5Very high12 Ų1253.3 Ų53.36%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-104.5125.5-176.2-76.36000111.5M434 Q435 V437 T444 S472M434-N442 CarbonylContact C-O 3.58Å; M434-N442 WeakPolarHBondContact CA-O 3.13Å; Q435-N442 PolarHBondContact N-O 2.9Å; Q435-N442 PolarHBondContact O-N 3.44Å; V437-N442 HydrophobicContact CG2-CB 4.44Å; N442-T444 PolarHBondContact O-N 3.45Å; N442-S472 PolarHBondContact ND2-OG 3.43Å; N442-S472 WeakPolarHBondContact OD1-CB 3.47Å; N442-S472 PolarHBondContact OD1-OG 2.53Å
443P96.3Very high94.5Very high1 Ų153.4 Ų53.41%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-69.9119.6178.529.5-35.9000110.9L427 A432 H433 M434 F446 D469 G656 W657L427-P443 HydrophobicContact CD1-CB 4.5Å; L427-P443 HydrophobicContact CD1-CG 4.03Å; A432-P443 HydrophobicContact CB-CB 4.14Å; H433-P443 CarbonylContact O-C 3.56Å; H433-P443 WeakPolarHBondContact O-CA 3.28Å; M434-P443 HydrophobicContact SD-CB 4.02Å; P443-F446 HydrophobicContact CB-CE1 4.42Å; P443-F446 HydrophobicContact CB-CE2 3.88Å; P443-F446 HydrophobicContact CB-CZ 3.55Å; P443-F446 HydrophobicContact CG-CZ 4.14Å; P443-D469 HydrophobicContact CG-CB 4.16Å; P443-G656 CarbonylContact O-C 3.57Å; P443-G656 VanDerWaalsContact O-CA 3.31Å; P443-G656 WeakPolarHBondContact O-CA 3.35Å; P443-W657 PolarHBondContact O-N 2.84Å
444T95.1Very high94.6Very high5 Ų551.1 Ų51.13%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-84.8-45.9178.655.10000111.7H433 Q435 N442 G656 W657 D658H433-T444 PolarHBondContact O-N 3.25Å; H433-T444 PolarHBondContact O-OG1 2.88Å; Q435-T444 HydrophobicContact CB-CG2 3.5Å; N442-T444 PolarHBondContact O-N 3.45Å; T444-G656 CarbonylContact O-C 3.49Å; T444-G656 VanDerWaalsContact O-CA 3.26Å; T444-G656 WeakPolarHBondContact O-CA 3.46Å; T444-W657 PolarHBondContact O-N 3.24Å; T444-D658 VanDerWaalsContact O-CB 3.3Å; T444-D658 WeakPolarHBondContact O-CB 3.18Å; T444-D658 PolarHBondContact O-N 2.99Å
445Y96.7Very high94.7Very high30 Ų3052.4 Ų52.412%0.11827%0.266CS..EExtended strand (participates in β ladder)trans-158.6167.7174.566.3-85.7000110.9A432 H433 R450 C453 E457A432-Y445 WeakPolarHBondContact CA-O 3.39Å; H433-Y445 HydrophobicContact CB-CD1 4.12Å; H433-Y445 HydrophobicContact CB-CE1 3.71Å; H433-Y445 HydrophobicContact CB-CE2 4.34Å; H433-Y445 AromaticContact CD2-CD2 3.71Å; H433-Y445 AromaticContact CD2-CE2 3.1Å; H433-Y445 WeakPolarHBondContact CD2-CE2 3.45Å; H433-Y445 AromaticContact CD2-CZ 3.29Å; H433-Y445 AromaticContact CE1-CZ 3.93Å; H433-Y445 PolarHBondContact CE1-OH 3.47Å; H433-Y445 AromaticContact CG-CE1 3.77Å; H433-Y445 AromaticContact CG-CE2 3.69Å; H433-Y445 AromaticContact CG-CZ 3.33Å; H433-Y445 PolarHBondContact N-O 3.46Å; H433-Y445 AromaticContact ND1-CZ 3.77Å; H433-Y445 PolarHBondContact ND1-OH 2.88Å; H433-Y445 AromaticContact NE2-CE2 3.45Å; H433-Y445 WeakPolarHBondContact NE2-CE2 3.04Å; H433-Y445 AromaticContact NE2-CZ 3.66Å; H433-Y445 PolarHBondContact NE2-OH 2.86Å; Y445-R450 HydrophobicContact CD1-CB 4.3Å; Y445-R450 HydrophobicContact CD1-CG 3.72Å; Y445-R450 HydrophobicContact CD2-CB 4.38Å; Y445-R450 HydrophobicContact CE1-CB 3.92Å; Y445-R450 HydrophobicContact CE1-CG 3.66Å; Y445-R450 HydrophobicContact CE2-CB 3.99Å; Y445-R450 HydrophobicContact CE2-CG 4.45Å; Y445-R450 HydrophobicContact CG-CG 4.17Å; Y445-C453 HydrophobicContact CD2-CB 3.87Å; Y445-E457 WeakPolarHBondContact CA-OE1 3.45Å; Y445-E457 WeakPolarHBondContact CB-OE1 3.44Å
446F97.7Very high94.8Very high25 Ų2554.1 Ų54.111%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-121.2114.8-176.2-63.9-99.9000112L427 N430 G431 A432 P443 C453 E457 D654L427-F446 HydrophobicContact CB-CE1 4.23Å; L427-F446 HydrophobicContact CD2-CE1 3.9Å; L427-F446 HydrophobicContact CD2-CZ 3.91Å; N430-F446 HydrophobicContact CB-CD1 4.16Å; N430-F446 HydrophobicContact CB-CE1 4.43Å; G431-F446 WeakPolarHBondContact O-CA 3.21Å; A432-F446 HydrophobicContact CB-CD1 3.86Å; A432-F446 HydrophobicContact CB-CE1 3.57Å; A432-F446 HydrophobicContact CB-CZ 4.17Å; P443-F446 HydrophobicContact CB-CE1 4.42Å; P443-F446 HydrophobicContact CB-CE2 3.88Å; P443-F446 HydrophobicContact CB-CZ 3.55Å; P443-F446 HydrophobicContact CG-CZ 4.14Å; F446-C453 WeakPolarHBondContact O-CB 3.41Å; F446-C453 PolarHBondContact O-SG 3.24Å; F446-E457 PolarHBondContact N-OE1 3.37Å; F446-D654 HydrophobicContact CD1-CB 3.91Å; F446-D654 HydrophobicContact CD2-CB 3.94Å; F446-D654 HydrophobicContact CE1-CB 3.53Å; F446-D654 HydrophobicContact CE2-CB 3.59Å; F446-D654 HydrophobicContact CG-CB 4.11Å; F446-D654 HydrophobicContact CZ-CB 3.38Å
447G95Very high95Very high30 Ų3052.2 Ų52.231%0.30926%0.262SS..SBendtrans124.9-158.1176.300000114.1G431 H433G431-G447 PolarHBondContact O-N 2.63Å; H433-G447 PolarHBondContact CD2-O 2.87Å; H433-G447 VanDerWaalsContact CD2-O 3.29Å; H433-G447 PolarHBondContact NE2-O 2.97Å
448A91.7Very high95.3Very high81 Ų8153.3 Ų53.367%0.66926%0.262SS*.SBendtrans-92.5-56.7-173.500000113.2R450A448-R450 PolarHBondContact O-N 3.43Å
449E92.6Very high95.6Very high129 Ų12957.6 Ų57.660%0.60328%0.275SS*.  trans-94.499.4-172.9-68.6-59.1132.900111.5R451 E452 C453E449-R451 VanDerWaalsContact C-N 3.27Å; E449-R451 PolarHBondContact O-N 2.88Å; E449-E452 HydrophobicContact CB-CB 4.3Å; E449-E452 HydrophobicContact CB-CG 4.3Å; E449-E452 PolarHBondContact O-N 3.29Å; E449-C453 PolarHBondContact O-N 3.48Å; E449-C453 PolarHBondContact O-SG 2.76Å; E449-C453 VanDerWaalsContact O-SG 3.34Å
450R93.3Very high95.6Very high137 Ų13759 Ų5952%0.51728%0.282SS..Hα-helixtrans-41.8-49.8-174.2-176.7175.7-175.6-174.56.3113.7Y445 A448 E452 C453 V454 D658Y445-R450 HydrophobicContact CD1-CB 4.3Å; Y445-R450 HydrophobicContact CD1-CG 3.72Å; Y445-R450 HydrophobicContact CD2-CB 4.38Å; Y445-R450 HydrophobicContact CE1-CB 3.92Å; Y445-R450 HydrophobicContact CE1-CG 3.66Å; Y445-R450 HydrophobicContact CE2-CB 3.99Å; Y445-R450 HydrophobicContact CE2-CG 4.45Å; Y445-R450 HydrophobicContact CG-CG 4.17Å; A448-R450 PolarHBondContact O-N 3.43Å; R450-E452 PolarHBondContact O-N 3.47Å; R450-C453 PolarHBondContact O-N 2.86Å; R450-V454 HydrophobicContact CG-CG2 4.32Å; R450-V454 WeakPolarHBondContact O-CB 3.36Å; R450-V454 WeakPolarHBondContact O-CG2 3.41Å; R450-V454 PolarHBondContact O-N 3.39Å; R450-D658 IonicContact CZ-OD1 2.62Å; R450-D658 IonicContact CZ-OD2 2.98Å; R450-D658 IonicContact NE-OD2 3.53Å; R450-D658 PolarHBondContact NE-OD2 3.16Å; R450-D658 IonicContact NH2-OD1 3.78Å; R450-D658 PolarHBondContact NH2-OD1 2.83Å; R450-D658 IonicContact NH2-OD2 2.93Å; R450-D658 PolarHBondContact NH2-OD2 3.03Å
451R94.1Very high95.5Very high226 Ų22659 Ų5985%0.85328%0.282SS*.Hα-helixtrans-63.7-40.8-176.6-173.6178.9-178.7-178.20.7112.9E449 A455E449-R451 VanDerWaalsContact C-N 3.27Å; E449-R451 PolarHBondContact O-N 2.88Å; R451-A455 WeakPolarHBondContact O-CB 2.99Å; R451-A455 PolarHBondContact O-N 2.87Å
452E96.3Very high95.4Very high142 Ų14260.4 Ų60.466%0.66429%0.291SS*.Hα-helixtrans-74.8-40.4-179.4-62.8-173.9174.700111.2E449 R450 A455 K456E449-E452 HydrophobicContact CB-CB 4.3Å; E449-E452 HydrophobicContact CB-CG 4.3Å; E449-E452 PolarHBondContact O-N 3.29Å; R450-E452 PolarHBondContact O-N 3.47Å; E452-A455 PolarHBondContact O-N 2.89Å; E452-K456 PolarHBondContact O-N 3.02Å
453C97Very high95.4Very high15 Ų1566.3 Ų66.310%0.10132%0.318CS..Hα-helixtrans-59-52.5175.1-66.40000111.2Y445 F446 E449 R450 A455 K456 E457Y445-C453 HydrophobicContact CD2-CB 3.87Å; F446-C453 WeakPolarHBondContact O-CB 3.41Å; F446-C453 PolarHBondContact O-SG 3.24Å; E449-C453 PolarHBondContact O-N 3.48Å; E449-C453 PolarHBondContact O-SG 2.76Å; E449-C453 VanDerWaalsContact O-SG 3.34Å; R450-C453 PolarHBondContact O-N 2.86Å; C453-A455 VanDerWaalsContact C-N 3.29Å; C453-A455 PolarHBondContact O-N 2.79Å; C453-K456 WeakPolarHBondContact O-CA 3.41Å; C453-K456 WeakPolarHBondContact O-CB 3.49Å; C453-K456 PolarHBondContact O-N 3.47Å; C453-E457 WeakPolarHBondContact O-CG 3.3Å; C453-E457 PolarHBondContact O-N 3.19Å
454V97Very high95.4Very high19 Ų1967 Ų6712%0.11532%0.324CS..Hα-helixtrans-58.8-40.7177.9172.60000111.5R450 K456 E457 Y458 D658 A659 V662R450-V454 HydrophobicContact CG-CG2 4.32Å; R450-V454 WeakPolarHBondContact O-CB 3.36Å; R450-V454 WeakPolarHBondContact O-CG2 3.41Å; R450-V454 PolarHBondContact O-N 3.39Å; V454-K456 VanDerWaalsContact C-N 3.33Å; V454-K456 PolarHBondContact O-N 2.96Å; V454-E457 PolarHBondContact O-N 3.4Å; V454-Y458 VanDerWaalsContact O-CB 3.31Å; V454-Y458 WeakPolarHBondContact O-CB 2.96Å; V454-Y458 PolarHBondContact O-N 3.2Å; V454-D658 HydrophobicContact CG1-CB 4.4Å; V454-D658 HydrophobicContact CG2-CB 3.49Å; V454-D658 VanDerWaalsContact CG2-CB 3.49Å; V454-A659 HydrophobicContact CG1-CB 4.33Å; V454-V662 HydrophobicContact CG1-CG2 4.15Å
455A97.3Very high95.4Very high36 Ų3666.8 Ų66.830%0.29832%0.323SS..Hα-helixtrans-66.6-32.8176.200000113R451 E452 C453 R459R451-A455 WeakPolarHBondContact O-CB 2.99Å; R451-A455 PolarHBondContact O-N 2.87Å; E452-A455 PolarHBondContact O-N 2.89Å; C453-A455 VanDerWaalsContact C-N 3.29Å; C453-A455 PolarHBondContact O-N 2.79Å; A455-R459 WeakPolarHBondContact O-CG 3.4Å; A455-R459 VanDerWaalsContact O-CZ 3.31Å; A455-R459 PolarHBondContact O-N 2.76Å; A455-R459 PolarHBondContact O-NH1 2.9Å
456K97Very high95.4Very high130 Ų13065.4 Ų65.457%0.56532%0.317SS*.Hα-helixtrans-70.3-46.9174.2179.7-170.6172.7-167.90110.9E452 C453 V454 Y458 R459 L460E452-K456 PolarHBondContact O-N 3.02Å; C453-K456 WeakPolarHBondContact O-CA 3.41Å; C453-K456 WeakPolarHBondContact O-CB 3.49Å; C453-K456 PolarHBondContact O-N 3.47Å; V454-K456 VanDerWaalsContact C-N 3.33Å; V454-K456 PolarHBondContact O-N 2.96Å; K456-Y458 VanDerWaalsContact C-N 3.35Å; K456-R459 WeakPolarHBondContact O-CB 3.49Å; K456-R459 PolarHBondContact O-N 3Å; K456-R459 VanDerWaalsContact O-N 3.11Å; K456-L460 PolarHBondContact O-N 2.9Å
457E97.5Very high95.3Very high5 Ų564.3 Ų64.32%0.02331%0.313CS..Hα-helixtrans-61.6-42.1177.9-69.3167.2-142.200111.6Y445 F446 C453 V454 R459 L460 A461 I655 G656 A659Y445-E457 WeakPolarHBondContact CA-OE1 3.45Å; Y445-E457 WeakPolarHBondContact CB-OE1 3.44Å; F446-E457 PolarHBondContact N-OE1 3.37Å; C453-E457 WeakPolarHBondContact O-CG 3.3Å; C453-E457 PolarHBondContact O-N 3.19Å; V454-E457 PolarHBondContact O-N 3.4Å; E457-R459 VanDerWaalsContact C-N 3.31Å; E457-R459 PolarHBondContact O-N 3.47Å; E457-L460 WeakPolarHBondContact O-CB 3.21Å; E457-L460 PolarHBondContact O-N 3.43Å; E457-L460 VanDerWaalsContact O-N 3.1Å; E457-A461 PolarHBondContact O-N 2.9Å; E457-I655 HydrophobicContact CB-CG1 4.49Å; E457-I655 HydrophobicContact CB-CG2 4.4Å; E457-G656 WeakPolarHBondContact OE2-CA 3.46Å; E457-G656 PolarHBondContact OE2-N 2.95Å; E457-A659 HydrophobicContact CB-CB 3.57Å
458Y96.1Very high95.4Very high62 Ų6262.9 Ų62.924%0.24330%0.298CS..Hα-helixtrans-56-43.5170.8174.1-87.6000112.3V454 K456 A461 T462 V662 L663 E666V454-Y458 VanDerWaalsContact O-CB 3.31Å; V454-Y458 WeakPolarHBondContact O-CB 2.96Å; V454-Y458 PolarHBondContact O-N 3.2Å; K456-Y458 VanDerWaalsContact C-N 3.35Å; Y458-A461 PolarHBondContact O-N 2.92Å; Y458-T462 HydrophobicContact CD1-CG2 4.45Å; Y458-T462 HydrophobicContact CE1-CG2 3.99Å; Y458-T462 HydrophobicContact CE2-CG2 4.18Å; Y458-T462 WeakPolarHBondContact O-CG2 3.44Å; Y458-T462 PolarHBondContact O-N 3.14Å; Y458-T462 PolarHBondContact O-OG1 3.03Å; Y458-V662 HydrophobicContact CD2-CG1 3.93Å; Y458-V662 HydrophobicContact CE2-CG1 4.14Å; Y458-L663 HydrophobicContact CD2-CD2 3.63Å; Y458-L663 HydrophobicContact CD2-CG 4Å; Y458-L663 HydrophobicContact CE2-CD2 3.61Å; Y458-L663 HydrophobicContact CE2-CG 4.34Å; Y458-E666 VanDerWaalsContact CE2-OE2 3.25Å; Y458-E666 WeakPolarHBondContact CE2-OE2 3.44Å; Y458-E666 VanDerWaalsContact OH-CD 3.3Å; Y458-E666 PolarHBondContact OH-OE1 3.38Å; Y458-E666 PolarHBondContact OH-OE2 2.82Å
459R96.4Very high95.6Very high118 Ų11859.3 Ų59.345%0.44527%0.268SS..Hα-helixtrans-66.7-35.1175.7-75.7-174.1-67-91.20.5112.5A455 K456 E457 A461 T462 Q463A455-R459 WeakPolarHBondContact O-CG 3.4Å; A455-R459 VanDerWaalsContact O-CZ 3.31Å; A455-R459 PolarHBondContact O-N 2.76Å; A455-R459 PolarHBondContact O-NH1 2.9Å; K456-R459 WeakPolarHBondContact O-CB 3.49Å; K456-R459 PolarHBondContact O-N 3Å; K456-R459 VanDerWaalsContact O-N 3.11Å; E457-R459 VanDerWaalsContact C-N 3.31Å; E457-R459 PolarHBondContact O-N 3.47Å; R459-A461 VanDerWaalsContact C-N 3.34Å; R459-T462 WeakPolarHBondContact CA-OG1 3.37Å; R459-T462 PolarHBondContact O-N 3.46Å; R459-Q463 WeakPolarHBondContact O-CA 3.5Å; R459-Q463 VanDerWaalsContact O-CB 3.25Å; R459-Q463 WeakPolarHBondContact O-CB 3.26Å; R459-Q463 PolarHBondContact O-N 3.43Å
460L95.2Very high95.7Very high30 Ų3053.2 Ų53.216%0.15724%0.239CC..Hα-helixtrans-60.1-47.1174-70.2174.9000110.8K456 E457 T462 A464 C465 G651 I655K456-L460 PolarHBondContact O-N 2.9Å; E457-L460 WeakPolarHBondContact O-CB 3.21Å; E457-L460 PolarHBondContact O-N 3.43Å; E457-L460 VanDerWaalsContact O-N 3.1Å; L460-T462 PolarHBondContact O-N 2.99Å; L460-A464 CarbonylContact O-C 3.53Å; L460-A464 WeakPolarHBondContact O-CA 3.41Å; L460-A464 PolarHBondContact O-N 2.96Å; L460-A464 VanDerWaalsContact O-N 3.07Å; L460-C465 PolarHBondContact O-N 3Å; L460-G651 WeakPolarHBondContact CD2-O 3.16Å; L460-I655 HydrophobicContact CB-CD1 4.29Å; L460-I655 HydrophobicContact CB-CG1 4.31Å
461A93.5Very high95.8Very high0 Ų046.8 Ų46.80%022%0.215CC..Hα-helixtrans-63.3-38.5178.100000112.9E457 Y458 R459 G572 P573 I655 L663E457-A461 PolarHBondContact O-N 2.9Å; Y458-A461 PolarHBondContact O-N 2.92Å; R459-A461 VanDerWaalsContact C-N 3.34Å; A461-G572 WeakPolarHBondContact O-CA 3.34Å; A461-P573 WeakPolarHBondContact O-CD 3.48Å; A461-I655 HydrophobicContact CB-CD1 3.91Å; A461-L663 HydrophobicContact CB-CD1 3.55Å; A461-L663 HydrophobicContact CB-CD2 4.25Å
462T93.5Very high95.8Very high35 Ų3536.1 Ų36.122%0.21518%0.176CC..Hα-helixtrans-92.6-23.4-172.551.70000114.6Y458 R459 L460 E624 L663Y458-T462 HydrophobicContact CD1-CG2 4.45Å; Y458-T462 HydrophobicContact CE1-CG2 3.99Å; Y458-T462 HydrophobicContact CE2-CG2 4.18Å; Y458-T462 WeakPolarHBondContact O-CG2 3.44Å; Y458-T462 PolarHBondContact O-N 3.14Å; Y458-T462 PolarHBondContact O-OG1 3.03Å; R459-T462 WeakPolarHBondContact CA-OG1 3.37Å; R459-T462 PolarHBondContact O-N 3.46Å; L460-T462 PolarHBondContact O-N 2.99Å; T462-E624 HydrophobicContact CG2-CG 4.49Å; T462-L663 HydrophobicContact CG2-CD2 3.87Å
463Q94.9Very high95.6Very high136 Ų13629.7 Ų29.764%0.63615%0.145SC*.Hα-helixtrans-120.6-18-172.2-55.3-178.8-14.900113.9R459R459-Q463 WeakPolarHBondContact O-CA 3.5Å; R459-Q463 VanDerWaalsContact O-CB 3.25Å; R459-Q463 WeakPolarHBondContact O-CB 3.26Å; R459-Q463 PolarHBondContact O-N 3.43Å
464A95.6Very high95.5Very high17 Ų1729 Ų2914%0.1414%0.141CC..SBendtrans-136.5-120.9-174.600000110.6L460 G572 P573 L574L460-A464 CarbonylContact O-C 3.53Å; L460-A464 WeakPolarHBondContact O-CA 3.41Å; L460-A464 PolarHBondContact O-N 2.96Å; L460-A464 VanDerWaalsContact O-N 3.07Å; A464-G572 CarbonylContact O-C 3.4Å; A464-P573 WeakPolarHBondContact O-CD 3.41Å; A464-P573 WeakPolarHBondContact O-CG 3.36Å; A464-L574 HydrophobicContact CB-CD1 4.42Å; A464-L574 WeakPolarHBondContact O-CB 3.48Å; A464-L574 PolarHBondContact O-N 3.15Å
465C94.9Very high95.5Very high0 Ų028 Ų280%014%0.135CC..  trans-151.7162.2164.5590000110.4L460 V571 L574 I652L460-C465 PolarHBondContact O-N 3Å; C465-V571 CarbonylContact C-O 3.22Å; C465-V571 WeakPolarHBondContact CA-O 3.43Å; C465-V571 VanDerWaalsContact CB-O 3.3Å; C465-V571 WeakPolarHBondContact CB-O 3.41Å; C465-L574 HydrophobicContact CB-CB 4.19Å; C465-I652 WeakPolarHBondContact O-CA 3.24Å
466G96Very high95.5Very high0 Ų026.4 Ų26.40%012%0.121CC..EExtended strand (participates in β ladder)trans-155.7171.6171.700000113.1V571 G653G466-V571 PolarHBondContact N-O 3.47Å; G466-V571 PolarHBondContact O-N 2.92Å; G466-G653 CarbonylContact C-O 3.4Å; G466-G653 WeakPolarHBondContact CA-O 3.27Å
467V97.1Very high95.5Very high3 Ų321.8 Ų21.82%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-111.3131.7-179.9-175.30000109.8M568 S569 L570 Y640 V643 M644 I652 G653 I655V467-M568 HydrophobicContact CG1-CB 4.25Å; V467-M568 HydrophobicContact CG1-SD 4.43Å; V467-S569 CarbonylContact C-O 3.52Å; V467-S569 VanDerWaalsContact CA-O 3.26Å; V467-S569 WeakPolarHBondContact CA-O 3.41Å; V467-L570 HydrophobicContact CG2-CD1 4.37Å; V467-Y640 HydrophobicContact CG1-CD2 4.17Å; V467-Y640 HydrophobicContact CG1-CE2 4.34Å; V467-V643 HydrophobicContact CG2-CG1 3.7Å; V467-M644 HydrophobicContact CG2-SD 3.92Å; V467-I652 HydrophobicContact CG2-CD1 3.81Å; V467-I652 HydrophobicContact CG2-CG1 4.29Å; V467-G653 PolarHBondContact N-O 3.07Å; V467-I655 PolarHBondContact O-N 3.31Å
468I96.2Very high95.5Very high0 Ų021.5 Ų21.50%010%0.101CC..EExtended strand (participates in β ladder)trans-113.1131173.1-56.7158.2000108.2L470 M568 S569 V571 E622 I655 V660I468-L470 HydrophobicContact CB-CD2 4.46Å; I468-L470 HydrophobicContact CG2-CD2 3.7Å; I468-L470 HydrophobicContact CG2-CG 4.35Å; I468-L470 PolarHBondContact O-N 3.16Å; I468-M568 CarbonylContact O-C 3.42Å; I468-M568 VanDerWaalsContact O-CA 3.24Å; I468-M568 WeakPolarHBondContact O-CA 3.47Å; I468-M568 WeakPolarHBondContact O-CB 3.22Å; I468-S569 PolarHBondContact N-O 2.83Å; I468-S569 PolarHBondContact O-N 2.93Å; I468-V571 HydrophobicContact CD1-CB 4.49Å; I468-V571 HydrophobicContact CD1-CG1 3.73Å; I468-V571 HydrophobicContact CG1-CG1 4.25Å; I468-E622 HydrophobicContact CD1-CG 3.39Å; I468-E622 WeakPolarHBondContact CD1-OE1 3.25Å; I468-I655 HydrophobicContact CD1-CG2 4.19Å; I468-I655 HydrophobicContact CG1-CB 3.68Å; I468-I655 HydrophobicContact CG1-CG2 3.77Å; I468-V660 HydrophobicContact CD1-CG2 3.58Å; I468-V660 HydrophobicContact CG1-CG2 4.08Å; I468-V660 HydrophobicContact CG2-CG2 4.13Å
469D96.4Very high95.5Very high6 Ų623.1 Ų23.13%0.03211%0.106CC..EExtended strand (participates in β ladder)trans-77.5113.4170.9-169.90.6000110.3S421 I423 L427 P443 S471 W657S421-D469 WeakPolarHBondContact CB-OD2 3.04Å; S421-D469 PolarHBondContact OG-OD2 3.29Å; I423-D469 HydrophobicContact CD1-CB 4.17Å; L427-D469 HydrophobicContact CD1-CB 4.06Å; L427-D469 WeakPolarHBondContact CD1-OD2 3.14Å; P443-D469 HydrophobicContact CG-CB 4.16Å; D469-S471 WeakPolarHBondContact OD1-CB 3.34Å; D469-S471 PolarHBondContact OD1-N 3.33Å; D469-S471 PolarHBondContact OD1-OG 3.33Å; D469-W657 PolarHBondContact O-NE1 3.28Å
470L94.6Very high95.4Very high1 Ų118.7 Ų18.71%0.00510%0.097CC..  trans-108.211.9178.6-60.8-174.3000111.8I468 S472 L473 S567 E628 W657I468-L470 HydrophobicContact CB-CD2 4.46Å; I468-L470 HydrophobicContact CG2-CD2 3.7Å; I468-L470 HydrophobicContact CG2-CG 4.35Å; I468-L470 PolarHBondContact O-N 3.16Å; L470-S472 PolarHBondContact O-N 2.88Å; L470-L473 HydrophobicContact CB-CD1 3.91Å; L470-L473 HydrophobicContact CB-CG 4.28Å; L470-L473 HydrophobicContact CD1-CD1 4.24Å; L470-L473 HydrophobicContact CG-CD1 4.47Å; L470-L473 WeakPolarHBondContact O-CB 3.4Å; L470-L473 WeakPolarHBondContact O-CG 3.42Å; L470-L473 PolarHBondContact O-N 3.01Å; L470-S567 CarbonylContact C-O 3.58Å; L470-S567 VanDerWaalsContact C-O 3.22Å; L470-S567 WeakPolarHBondContact CA-O 3.33Å; L470-S567 PolarHBondContact N-O 3.42Å; L470-E628 HydrophobicContact CD1-CG 4.16Å; L470-W657 HydrophobicContact CD2-CH2 3.75Å; L470-W657 HydrophobicContact CD2-CZ2 3.52Å
471S95Very high95.3Very high1 Ų121.1 Ų21.11%0.00712%0.117CC..THydrogen-bonded Turntrans-62.5-19.5-173.8-560000113.4S421 D469 L473 S567S421-S471 WeakPolarHBondContact CB-OG 3.39Å; D469-S471 WeakPolarHBondContact OD1-CB 3.34Å; D469-S471 PolarHBondContact OD1-N 3.33Å; D469-S471 PolarHBondContact OD1-OG 3.33Å; S471-L473 VanDerWaalsContact C-N 3.3Å; S471-S567 PolarHBondContact N-O 3.13Å; S471-S567 PolarHBondContact OG-O 3.23Å
472S93.9Very high95.4Very high3 Ų322 Ų222%0.02112%0.123CC..THydrogen-bonded Turntrans-74.9-17.5176.5670000114.2N442 L470 S474 S535N442-S472 PolarHBondContact ND2-OG 3.43Å; N442-S472 WeakPolarHBondContact OD1-CB 3.47Å; N442-S472 PolarHBondContact OD1-OG 2.53Å; L470-S472 PolarHBondContact O-N 2.88Å; S472-S474 PolarHBondContact O-N 3.47Å; S472-S535 WeakPolarHBondContact O-CB 3.42Å
473L93.7Very high95.6Very high6 Ų620.3 Ų20.33%0.03111%0.113CC..SBendtrans-58.4140.9-178.2-66.5179.6000110.6L470 S471 M475 V532 F621 W657L470-L473 HydrophobicContact CB-CD1 3.91Å; L470-L473 HydrophobicContact CB-CG 4.28Å; L470-L473 HydrophobicContact CD1-CD1 4.24Å; L470-L473 HydrophobicContact CG-CD1 4.47Å; L470-L473 WeakPolarHBondContact O-CB 3.4Å; L470-L473 WeakPolarHBondContact O-CG 3.42Å; L470-L473 PolarHBondContact O-N 3.01Å; S471-L473 VanDerWaalsContact C-N 3.3Å; L473-M475 WeakPolarHBondContact O-CE 3.46Å; L473-M475 PolarHBondContact O-N 3.07Å; L473-V532 HydrophobicContact CB-CG1 3.91Å; L473-V532 HydrophobicContact CD1-CG1 3.85Å; L473-V532 HydrophobicContact CG-CG1 4.48Å; L473-F621 HydrophobicContact CD1-CE2 4.35Å; L473-F621 HydrophobicContact CD2-CE2 4.29Å; L473-F621 HydrophobicContact CD2-CZ 4.26Å; L473-W657 HydrophobicContact CD2-CH2 4.46Å
474S94.5Very high95.6Very high0 Ų017.5 Ų17.50%010%0.099CC..EExtended strand (participates in β ladder)trans-66.3130.3174.6168.10000109.4S472 V532 S533 A534 E538 S562S472-S474 PolarHBondContact O-N 3.47Å; S474-V532 CarbonylContact O-C 3.59Å; S474-V532 VanDerWaalsContact O-CA 3.23Å; S474-V532 WeakPolarHBondContact O-CA 3.47Å; S474-S533 VanDerWaalsContact CB-OG 3.28Å; S474-S533 WeakPolarHBondContact CB-OG 3.25Å; S474-S533 PolarHBondContact N-O 3.28Å; S474-S533 PolarHBondContact O-N 2.88Å; S474-S533 PolarHBondContact OG-OG 3.12Å; S474-A534 WeakPolarHBondContact CB-O 3.38Å; S474-E538 WeakPolarHBondContact CA-OE2 3.46Å; S474-E538 WeakPolarHBondContact OG-CA 3.42Å; S474-S562 WeakPolarHBondContact CA-OG 3.25Å
475M96.4Very high95.6Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-129.4112.4-178.8-75.9177.4-87.900109.6L473 L530 L531 V532 V561 S562 L565 Y630L473-M475 WeakPolarHBondContact O-CE 3.46Å; L473-M475 PolarHBondContact O-N 3.07Å; M475-L530 HydrophobicContact CB-CD1 4.05Å; M475-L530 HydrophobicContact CG-CD1 4.47Å; M475-L531 WeakPolarHBondContact CA-O 3.49Å; M475-V532 HydrophobicContact CG-CG2 4.36Å; M475-V561 HydrophobicContact CB-CG2 4.07Å; M475-V561 WeakPolarHBondContact O-CG2 3.42Å; M475-V561 PolarHBondContact O-N 2.93Å; M475-S562 PolarHBondContact N-OG 2.83Å; M475-S562 PolarHBondContact O-N 3.39Å; M475-S562 PolarHBondContact O-OG 3.43Å; M475-L565 HydrophobicContact CE-CB 4.04Å; M475-L565 HydrophobicContact SD-CB 3.57Å; M475-L565 VanDerWaalsContact SD-CB 3.57Å; M475-L565 HydrophobicContact SD-CD1 4.32Å; M475-Y630 HydrophobicContact SD-CD1 3.97Å; M475-Y630 HydrophobicContact SD-CE1 4.35Å
476I97.3Very high95.7Very high2 Ų222.7 Ų22.71%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-118.8124.9-177.4-59.6170.1000109.1I478 L531 N541 V542 L545 V558 A559I476-I478 HydrophobicContact CG2-CD1 3.92Å; I476-L531 HydrophobicContact CB-CB 4.32Å; I476-L531 PolarHBondContact N-O 2.87Å; I476-L531 PolarHBondContact O-N 3.39Å; I476-N541 HydrophobicContact CD1-CB 3.67Å; I476-V542 HydrophobicContact CD1-CG2 3.61Å; I476-V542 HydrophobicContact CG1-CG2 3.95Å; I476-L545 HydrophobicContact CD1-CD1 4.31Å; I476-L545 HydrophobicContact CG2-CD1 4.45Å; I476-V558 HydrophobicContact CG2-CG1 3.67Å; I476-A559 CarbonylContact C-O 3.56Å; I476-A559 WeakPolarHBondContact CA-O 3.43Å
477E97.2Very high95.7Very high32 Ų3222.7 Ų22.715%0.1512%0.121CC..EExtended strand (participates in β ladder)trans-84.8130.8169.5-76.3-171.1168.900110.5R479 L528 F529 L530 A559 V561E477-R479 IonicContact OE2-NH1 3.79Å; E477-R479 PolarHBondContact OE2-NH1 2.71Å; E477-L528 HydrophobicContact CB-CD1 3.83Å; E477-L528 HydrophobicContact CG-CD1 3.87Å; E477-F529 WeakPolarHBondContact CA-O 3.3Å; E477-L530 HydrophobicContact CG-CD1 4.41Å; E477-A559 HydrophobicContact CB-CB 4.35Å; E477-A559 PolarHBondContact N-O 3.34Å; E477-A559 PolarHBondContact O-N 2.88Å; E477-V561 HydrophobicContact CB-CG1 4.3Å; E477-V561 HydrophobicContact CG-CG1 3.9Å; E477-V561 HydrophobicContact CG-CG2 3.88Å
478I97.6Very high95.7Very high0 Ų025.9 Ų25.90%014%0.136CC..EExtended strand (participates in β ladder)trans-113115.7169.9-53.9-65.1000107.6I476 A483 F486 L487 L528 F529 L531 L545 E557 V558I476-I478 HydrophobicContact CG2-CD1 3.92Å; I478-A483 HydrophobicContact CG2-CB 4.1Å; I478-F486 HydrophobicContact CD1-CE1 4.45Å; I478-F486 HydrophobicContact CG2-CD1 3.94Å; I478-F486 HydrophobicContact CG2-CE1 4.41Å; I478-L487 HydrophobicContact CG1-CD2 4.24Å; I478-L487 HydrophobicContact CG2-CG 4.39Å; I478-L528 WeakPolarHBondContact O-CA 3.4Å; I478-F529 PolarHBondContact N-O 2.88Å; I478-F529 PolarHBondContact O-N 3.35Å; I478-L531 HydrophobicContact CB-CD1 4.48Å; I478-L531 HydrophobicContact CG1-CD1 3.74Å; I478-L531 HydrophobicContact CG1-CD2 4.13Å; I478-L531 HydrophobicContact CG1-CG 4.47Å; I478-L545 HydrophobicContact CD1-CD1 4.15Å; I478-E557 WeakPolarHBondContact CA-O 3.48Å; I478-V558 HydrophobicContact CD1-CB 4.05Å; I478-V558 HydrophobicContact CD1-CG1 3.8Å; I478-V558 HydrophobicContact CD1-CG2 3.72Å
479R96.3Very high95.7Very high95 Ų9531.4 Ų31.436%0.35816%0.157SC..EExtended strand (participates in β ladder)trans-132.8147.8-17765.6-172.6-176.9-148.74.4113.1E477 K527 L528 V556 E557E477-R479 IonicContact OE2-NH1 3.79Å; E477-R479 PolarHBondContact OE2-NH1 2.71Å; R479-K527 VanDerWaalsContact CA-O 3.29Å; R479-K527 WeakPolarHBondContact CA-O 3.39Å; R479-L528 HydrophobicContact CB-CD1 3.87Å; R479-V556 CarbonylContact O-C 3.56Å; R479-V556 VanDerWaalsContact O-CA 3.31Å; R479-V556 WeakPolarHBondContact O-CA 3.47Å; R479-E557 HydrophobicContact CG-CB 3.86Å; R479-E557 IonicContact CZ-OE1 3.58Å; R479-E557 IonicContact CZ-OE2 3.73Å; R479-E557 PolarHBondContact N-O 3.03Å; R479-E557 VanDerWaalsContact NE-CD 3.28Å; R479-E557 IonicContact NE-OE1 3.5Å; R479-E557 IonicContact NE-OE2 3.72Å; R479-E557 PolarHBondContact NE-OE2 3.19Å; R479-E557 IonicContact NH2-OE1 2.89Å; R479-E557 PolarHBondContact NH2-OE1 3.38Å; R479-E557 IonicContact NH2-OE2 2.69Å; R479-E557 PolarHBondContact NH2-OE2 3.45Å; R479-E557 PolarHBondContact O-N 3.45Å
480G94.7Very high95.6Very high25 Ų2531.8 Ų31.826%0.25816%0.159SC..SBendtrans140.2170.2176.600000112.9S482 A483 K527G480-S482 PolarHBondContact O-N 3.3Å; G480-S482 VanDerWaalsContact O-N 3.1Å; G480-A483 WeakPolarHBondContact O-CB 3.38Å; G480-A483 PolarHBondContact O-N 3.13Å; G480-A483 VanDerWaalsContact O-N 3.15Å; G480-K527 PolarHBondContact N-O 2.72Å
481S92.7Very high95.6Very high81 Ų8132.3 Ų32.357%0.56616%0.162SC*.THydrogen-bonded Turntrans-59.3-26.8-175.452.70000113.8
482S95.5Very high95.5Very high18 Ų1836.1 Ų36.113%0.12619%0.185CC..THydrogen-bonded Turntrans-112.818.7-178.3-60.60000113.2G480 H484 Q485 F486 P555G480-S482 PolarHBondContact O-N 3.3Å; G480-S482 VanDerWaalsContact O-N 3.1Å; S482-H484 VanDerWaalsContact C-N 3.33Å; S482-H484 PolarHBondContact O-N 3.41Å; S482-Q485 PolarHBondContact O-N 3.33Å; S482-Q485 VanDerWaalsContact O-N 3.12Å; S482-F486 WeakPolarHBondContact O-CB 3.4Å; S482-F486 PolarHBondContact O-N 3.13Å; S482-P555 WeakPolarHBondContact OG-CG 3.49Å
483A96.2Very high95.3Very high1 Ų141.1 Ų41.11%0.00821%0.207CC..Hα-helixtrans-55-46-177.200000112.7I478 G480 F486 L487 F529 V556I478-A483 HydrophobicContact CG2-CB 4.1Å; G480-A483 WeakPolarHBondContact O-CB 3.38Å; G480-A483 PolarHBondContact O-N 3.13Å; G480-A483 VanDerWaalsContact O-N 3.15Å; A483-F486 PolarHBondContact O-N 3.44Å; A483-L487 WeakPolarHBondContact O-CG 3.37Å; A483-L487 PolarHBondContact O-N 2.79Å; A483-F529 HydrophobicContact CB-CD2 3.86Å; A483-F529 HydrophobicContact CB-CE2 3.89Å; A483-V556 HydrophobicContact CB-CG1 4.43Å
484H95.3Very high95.3Very high77 Ų7746.4 Ų46.436%0.35624%0.235SC..Hα-helixtrans-62.3-45.9175.8-175.7-50.8000112.2S482 F486 L487 Q488 F529S482-H484 VanDerWaalsContact C-N 3.33Å; S482-H484 PolarHBondContact O-N 3.41Å; H484-F486 VanDerWaalsContact C-N 3.32Å; H484-F486 PolarHBondContact O-N 3.4Å; H484-L487 PolarHBondContact O-N 2.65Å; H484-Q488 WeakPolarHBondContact O-CB 3.33Å; H484-Q488 PolarHBondContact O-N 3.08Å; H484-F529 HydrophobicContact CB-CE2 4.19Å; H484-F529 HydrophobicContact CB-CZ 3.99Å
485Q95.9Very high95.3Very high126 Ų12646.8 Ų46.859%0.58924%0.237SC*.Hα-helixtrans-64.3-39.6-180-70.1175.6-14.600111.7S482 Q488 Y489 F554S482-Q485 PolarHBondContact O-N 3.33Å; S482-Q485 VanDerWaalsContact O-N 3.12Å; Q485-Q488 PolarHBondContact O-N 3.13Å; Q485-Y489 PolarHBondContact O-N 3.01Å; Q485-F554 HydrophobicContact CB-CE1 4.18Å
486F97.2Very high95.1Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-64.1-46.7176174.1-115.7000111.3I478 S482 A483 H484 Q488 Y489 M490 L545 H548 A549 F554 V556I478-F486 HydrophobicContact CD1-CE1 4.45Å; I478-F486 HydrophobicContact CG2-CD1 3.94Å; I478-F486 HydrophobicContact CG2-CE1 4.41Å; S482-F486 WeakPolarHBondContact O-CB 3.4Å; S482-F486 PolarHBondContact O-N 3.13Å; A483-F486 PolarHBondContact O-N 3.44Å; H484-F486 VanDerWaalsContact C-N 3.32Å; H484-F486 PolarHBondContact O-N 3.4Å; F486-Q488 VanDerWaalsContact C-N 3.34Å; F486-Q488 PolarHBondContact O-N 2.81Å; F486-Y489 WeakPolarHBondContact O-CB 3.45Å; F486-Y489 PolarHBondContact O-N 3.36Å; F486-Y489 VanDerWaalsContact O-N 3.14Å; F486-M490 HydrophobicContact CD2-CG 3.9Å; F486-M490 HydrophobicContact CE1-CG 4.08Å; F486-M490 HydrophobicContact CE2-CG 3.39Å; F486-M490 HydrophobicContact CE2-SD 3.81Å; F486-M490 HydrophobicContact CG-CG 4.43Å; F486-M490 HydrophobicContact CZ-CG 3.5Å; F486-M490 VanDerWaalsContact CZ-CG 3.5Å; F486-M490 HydrophobicContact CZ-SD 4.14Å; F486-M490 VanDerWaalsContact O-CG 3.31Å; F486-M490 WeakPolarHBondContact O-CG 3.08Å; F486-M490 PolarHBondContact O-N 3.42Å; F486-L545 HydrophobicContact CE1-CB 4.32Å; F486-L545 HydrophobicContact CE1-CD2 3.93Å; F486-L545 HydrophobicContact CZ-CB 4.18Å; F486-L545 HydrophobicContact CZ-CD2 3.97Å; F486-L545 VanDerWaalsContact CZ-O 3.24Å; F486-L545 WeakPolarHBondContact CZ-O 3.44Å; F486-H548 HydrophobicContact CE2-CB 4.17Å; F486-A549 HydrophobicContact CE2-CB 3.94Å; F486-A549 HydrophobicContact CZ-CB 3.94Å; F486-F554 HydrophobicContact CB-CB 4.18Å; F486-F554 HydrophobicContact CB-CD1 3.94Å; F486-F554 HydrophobicContact CB-CD2 4.42Å; F486-F554 HydrophobicContact CB-CE1 4.43Å; F486-F554 HydrophobicContact CB-CG 3.94Å; F486-F554 HydrophobicContact CD2-CB 4.05Å; F486-F554 AromaticContact CD2-CD2 3.51Å; F486-F554 HydrophobicContact CD2-CD2 3.51Å; F486-F554 HydrophobicContact CD2-CE2 4.03Å; F486-F554 AromaticContact CD2-CG 3.78Å; F486-F554 HydrophobicContact CD2-CG 3.78Å; F486-F554 HydrophobicContact CE2-CD2 4.27Å; F486-F554 HydrophobicContact CG-CB 4.34Å; F486-F554 HydrophobicContact CG-CD2 4.4Å; F486-F554 HydrophobicContact CG-CG 4.26Å; F486-V556 HydrophobicContact CB-CG1 4.01Å; F486-V556 HydrophobicContact CB-CG2 4.38Å; F486-V556 HydrophobicContact CD1-CG2 3.85Å; F486-V556 HydrophobicContact CD2-CG2 4.47Å; F486-V556 HydrophobicContact CE1-CG2 4.25Å; F486-V556 HydrophobicContact CG-CG1 4.46Å; F486-V556 HydrophobicContact CG-CG2 3.96Å
487L96.8Very high94.8Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-61.8-43.5175.7-71.4176.4000111.6I478 A483 H484 Y489 M490 T491 V495 I519 F529 L531I478-L487 HydrophobicContact CG1-CD2 4.24Å; I478-L487 HydrophobicContact CG2-CG 4.39Å; A483-L487 WeakPolarHBondContact O-CG 3.37Å; A483-L487 PolarHBondContact O-N 2.79Å; H484-L487 PolarHBondContact O-N 2.65Å; L487-Y489 PolarHBondContact O-N 3.03Å; L487-M490 PolarHBondContact O-N 2.95Å; L487-T491 WeakPolarHBondContact O-CB 3.41Å; L487-T491 WeakPolarHBondContact O-CG2 3.45Å; L487-T491 PolarHBondContact O-N 3.2Å; L487-T491 PolarHBondContact O-OG1 2.57Å; L487-V495 HydrophobicContact CB-CG1 4.41Å; L487-V495 HydrophobicContact CB-CG2 3.52Å; L487-V495 HydrophobicContact CD1-CG1 4.37Å; L487-I519 HydrophobicContact CD1-CG2 4.12Å; L487-F529 HydrophobicContact CD1-CB 3.58Å; L487-F529 HydrophobicContact CD1-CD1 3.81Å; L487-F529 HydrophobicContact CD1-CD2 3.73Å; L487-F529 HydrophobicContact CD1-CE1 4.43Å; L487-F529 HydrophobicContact CD1-CE2 4.37Å; L487-F529 HydrophobicContact CD1-CG 3.42Å; L487-F529 VanDerWaalsContact CD1-CG 3.42Å; L487-L531 HydrophobicContact CD1-CD1 4.08Å; L487-L531 HydrophobicContact CD2-CD1 3.81Å; L487-L531 HydrophobicContact CD2-CD2 3.78Å; L487-L531 HydrophobicContact CD2-CG 4.34Å
488Q96.1Very high94.3Very high70 Ų7053.9 Ų53.933%0.32727%0.274SS..Hα-helixtrans-58.9-31.9175.7-16867.843.900112.7H484 Q485 F486 D494 V495H484-Q488 WeakPolarHBondContact O-CB 3.33Å; H484-Q488 PolarHBondContact O-N 3.08Å; Q485-Q488 PolarHBondContact O-N 3.13Å; F486-Q488 VanDerWaalsContact C-N 3.34Å; F486-Q488 PolarHBondContact O-N 2.81Å; Q488-D494 PolarHBondContact NE2-OD1 3.44Å; Q488-V495 HydrophobicContact CB-CG2 4.06Å; Q488-V495 VanDerWaalsContact N-CG2 3.34Å
489Y95.7Very high93.8Very high116 Ų11657.4 Ų57.446%0.45530%0.299SS..Hα-helixtrans-74.9-37.5173.8173.7-93.6000112.5Q485 F486 L487 E552 F554Q485-Y489 PolarHBondContact O-N 3.01Å; F486-Y489 WeakPolarHBondContact O-CB 3.45Å; F486-Y489 PolarHBondContact O-N 3.36Å; F486-Y489 VanDerWaalsContact O-N 3.14Å; L487-Y489 PolarHBondContact O-N 3.03Å; Y489-E552 HydrophobicContact CE1-CG 3.97Å; Y489-F554 HydrophobicContact CD1-CE2 4.03Å; Y489-F554 HydrophobicContact CG-CE2 4.06Å; Y489-F554 HydrophobicContact CG-CZ 4.11Å
490M95.5Very high93.6Very high13 Ų1357.6 Ų57.66%0.06430%0.304CS..Hα-helixtrans-84.4-22.6-174-69.5-54.4-60.400114.5F486 L487 L506 W544 L545 H548F486-M490 HydrophobicContact CD2-CG 3.9Å; F486-M490 HydrophobicContact CE1-CG 4.08Å; F486-M490 HydrophobicContact CE2-CG 3.39Å; F486-M490 HydrophobicContact CE2-SD 3.81Å; F486-M490 HydrophobicContact CG-CG 4.43Å; F486-M490 HydrophobicContact CZ-CG 3.5Å; F486-M490 VanDerWaalsContact CZ-CG 3.5Å; F486-M490 HydrophobicContact CZ-SD 4.14Å; F486-M490 VanDerWaalsContact O-CG 3.31Å; F486-M490 WeakPolarHBondContact O-CG 3.08Å; F486-M490 PolarHBondContact O-N 3.42Å; L487-M490 PolarHBondContact O-N 2.95Å; M490-L506 HydrophobicContact CB-CD2 4.02Å; M490-L506 WeakPolarHBondContact O-CD2 2.96Å; M490-W544 HydrophobicContact CE-CG 4.49Å; M490-L545 HydrophobicContact CB-CD2 4.29Å; M490-L545 HydrophobicContact CE-CD2 4.21Å; M490-L545 HydrophobicContact CG-CD2 4.1Å; M490-H548 HydrophobicContact CE-CB 3.93Å; M490-H548 HydrophobicContact SD-CB 3.45Å; M490-H548 WeakPolarHBondContact SD-CB 3.31Å
491T94.3Very high93.4Very high12 Ų1256.7 Ų56.77%0.07429%0.294CS..BIsolated β-bridgetrans-114.5152.1-169.7660000112.4L487 K493 S504 C505 L506 V517 I519L487-T491 WeakPolarHBondContact O-CB 3.41Å; L487-T491 WeakPolarHBondContact O-CG2 3.45Å; L487-T491 PolarHBondContact O-N 3.2Å; L487-T491 PolarHBondContact O-OG1 2.57Å; T491-K493 PolarHBondContact OG1-O 3.24Å; T491-K493 VanDerWaalsContact OG1-O 3.09Å; T491-S504 WeakPolarHBondContact CB-OG 3.39Å; T491-C505 WeakPolarHBondContact CA-O 3.35Å; T491-L506 HydrophobicContact CG2-CD2 3.92Å; T491-V517 HydrophobicContact CG2-CG2 4.45Å; T491-I519 HydrophobicContact CG2-CD1 3.85Å
492V91.9Very high93.3Very high81 Ų8153 Ų5349%0.49127%0.268SS..SBendtrans-82.2-21.2-177.3-60.80000114.6S504 C505 L507 I682V492-S504 WeakPolarHBondContact CG2-OG 3.27Å; V492-S504 PolarHBondContact N-OG 3.46Å; V492-S504 VanDerWaalsContact N-OG 3.15Å; V492-C505 HydrophobicContact CG1-CB 4.37Å; V492-C505 HydrophobicContact CG2-CB 4.02Å; V492-C505 PolarHBondContact N-O 3.41Å; V492-L507 HydrophobicContact CG1-CD1 3.36Å; V492-L507 HydrophobicContact CG1-CD2 4.01Å; V492-L507 HydrophobicContact CG1-CG 3.54Å; V492-I682 HydrophobicContact CG1-CD1 4.24Å
493K90.6Very high92.9Very high109 Ų10953.6 Ų53.647%0.47427%0.267SS..SBendtrans-108.8150179.6-172.9176.8176.8-1780108.3T491 Y503 S504T491-K493 PolarHBondContact OG1-O 3.24Å; T491-K493 VanDerWaalsContact OG1-O 3.09Å; K493-Y503 WeakPolarHBondContact CD-O 3.31Å; K493-S504 PolarHBondContact N-OG 3.46Å
494D93.5Very high92.7Very high116 Ų11653.7 Ų53.762%0.6227%0.268SS*.PPolyproline II helixtrans-53.8140.1172.9-64.9-31000111.5Q488Q488-D494 PolarHBondContact NE2-OD1 3.44Å
495V93.6Very high92.4Very high9 Ų950.4 Ų50.46%0.05525%0.253CS..PPolyproline II helixtrans-66131.3177.8-179.20000108.5L487 Q488 F529L487-V495 HydrophobicContact CB-CG1 4.41Å; L487-V495 HydrophobicContact CB-CG2 3.52Å; L487-V495 HydrophobicContact CD1-CG1 4.37Å; Q488-V495 HydrophobicContact CB-CG2 4.06Å; Q488-V495 VanDerWaalsContact N-CG2 3.34Å; V495-F529 HydrophobicContact CG1-CD1 4.07Å; V495-F529 HydrophobicContact CG1-CE1 3.45Å; V495-F529 VanDerWaalsContact CG1-CE1 3.45Å; V495-F529 HydrophobicContact CG1-CZ 3.96Å
496P92.6Very high92.2Very high5 Ų544.4 Ų44.43%0.03223%0.225CC..PPolyproline II helixtrans-71.9152.8-175.726.3-28.7000111.9E500 S502 I519 P521P496-E500 HydrophobicContact CB-CB 3.71Å; P496-S502 WeakPolarHBondContact CD-OG 3.47Å; P496-I519 HydrophobicContact CG-CB 4.04Å; P496-I519 HydrophobicContact CG-CG2 3.98Å; P496-P521 HydrophobicContact CB-CG 4.2Å; P496-P521 HydrophobicContact CG-CG 3.79Å; P496-P521 WeakPolarHBondContact O-CG 3.48Å
497E90.7Very high91.8Very high122 Ų12246.5 Ų46.557%0.5724%0.236SC*.PPolyproline II helixtrans-74.9167.6172.1-69.4-63.2160.500112.2S499 E500 P521E497-S499 PolarHBondContact O-N 3Å; E497-E500 HydrophobicContact CB-CG 4.47Å; E497-E500 PolarHBondContact O-N 2.85Å; E497-P521 WeakPolarHBondContact O-CG 3.42Å
498V87.4Confident91.4Very high55 Ų5547 Ų4733%0.33324%0.239SC..THydrogen-bonded Turntrans-51.9-24.5-168.1179.50000116A523V498-A523 HydrophobicContact CG1-CB 4.45Å
499S87.5Confident90.9Very high75 Ų7549 Ų4952%0.52426%0.262SS..THydrogen-bonded Turntrans-109.13.4179.1-56.50000113.8E497 T596 S597E497-S499 PolarHBondContact O-N 3Å; S499-T596 CarbonylContact O-C 3.53Å; S499-T596 WeakPolarHBondContact O-CA 3.49Å; S499-T596 WeakPolarHBondContact O-CB 3.4Å; S499-S597 PolarHBondContact O-N 3.21Å
500E91.7Very high90.5Very high99 Ų9947.8 Ų47.846%0.46326%0.259SS..BIsolated β-bridgetrans-104163.1-178.4-64.6-176.6168.600110.8P496 E497 P521P496-E500 HydrophobicContact CB-CB 3.71Å; E497-E500 HydrophobicContact CB-CG 4.47Å; E497-E500 PolarHBondContact O-N 2.85Å; E500-P521 VanDerWaalsContact O-CD 3.25Å; E500-P521 WeakPolarHBondContact O-CD 3.4Å
501V91.4Very high90.1Very high6 Ų648.2 Ų48.24%0.03627%0.266CS..  trans-129.2140.1170.9178.70000106.8K518 I520 M595 C610V501-K518 HydrophobicContact CG1-CD 3.62Å; V501-K518 HydrophobicContact CG1-CG 3.6Å; V501-I520 HydrophobicContact CG1-CG1 4.23Å; V501-I520 HydrophobicContact CG2-CG1 4.44Å; V501-M595 PolarHBondContact N-O 2.9Å; V501-M595 VanDerWaalsContact O-CE 3.26Å; V501-M595 WeakPolarHBondContact O-CE 3.5Å; V501-C610 HydrophobicContact CG2-CB 4.17Å
502S89.9Confident89.6Confident3 Ų350 Ų502%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-131.8145.3174.685.30000111.9P496 K518 I519P496-S502 WeakPolarHBondContact CD-OG 3.47Å; S502-K518 CarbonylContact O-C 3.2Å; S502-K518 WeakPolarHBondContact O-CA 3.42Å; S502-I519 PolarHBondContact N-O 3.29Å; S502-I519 PolarHBondContact O-N 3.06Å
503Y88.1Confident89.3Confident30 Ų3046.5 Ų46.512%0.11825%0.25CS..EExtended strand (participates in β ladder)trans-95.7136.8166.1-73.5-72.5000109.1K493 V517 K518 M595 S618 L619 C620K493-Y503 WeakPolarHBondContact CD-O 3.31Å; Y503-V517 WeakPolarHBondContact CA-O 3.35Å; Y503-K518 HydrophobicContact CD1-CB 3.83Å; Y503-K518 HydrophobicContact CD1-CG 4.41Å; Y503-K518 HydrophobicContact CE1-CB 3.61Å; Y503-K518 HydrophobicContact CE1-CD 3.87Å; Y503-K518 HydrophobicContact CE1-CG 4.04Å; Y503-K518 PolarHBondContact OH-NZ 3.07Å; Y503-M595 HydrophobicContact CD2-CE 3.48Å; Y503-M595 VanDerWaalsContact CD2-CE 3.48Å; Y503-M595 HydrophobicContact CD2-SD 4.21Å; Y503-M595 HydrophobicContact CE2-CE 3.85Å; Y503-M595 HydrophobicContact CE2-SD 4.03Å; Y503-S618 WeakPolarHBondContact CE2-OG 3.46Å; Y503-L619 HydrophobicContact CD1-CB 3.63Å; Y503-L619 HydrophobicContact CD1-CD1 3.79Å; Y503-L619 HydrophobicContact CD1-CG 4.08Å; Y503-L619 HydrophobicContact CD2-CB 4.21Å; Y503-L619 HydrophobicContact CE1-CB 3.7Å; Y503-L619 HydrophobicContact CE2-CB 4.31Å; Y503-L619 VanDerWaalsContact CE2-N 3.29Å; Y503-L619 HydrophobicContact CG-CB 3.89Å; Y503-L619 HydrophobicContact CG-CD1 3.92Å; Y503-L619 HydrophobicContact CG-CG 4.01Å; Y503-C620 PolarHBondContact OH-SG 3.37Å
504S90.4Very high89.1Confident4 Ų441.7 Ų41.73%0.02823%0.23CC..EExtended strand (participates in β ladder)trans-147.9-180178.4-151.90000111.6T491 V492 K493 Q516 V517T491-S504 WeakPolarHBondContact CB-OG 3.39Å; V492-S504 WeakPolarHBondContact CG2-OG 3.27Å; V492-S504 PolarHBondContact N-OG 3.46Å; V492-S504 VanDerWaalsContact N-OG 3.15Å; K493-S504 PolarHBondContact N-OG 3.46Å; S504-Q516 WeakPolarHBondContact O-CA 3.42Å; S504-V517 PolarHBondContact N-O 2.96Å; S504-V517 PolarHBondContact O-N 3.03Å
505C90.2Very high88.8Confident7 Ų736.3 Ų36.35%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-124.8140.1176.8-63.10000109.5T491 V492 L507 M513 S515 I682T491-C505 WeakPolarHBondContact CA-O 3.35Å; V492-C505 HydrophobicContact CG1-CB 4.37Å; V492-C505 HydrophobicContact CG2-CB 4.02Å; V492-C505 PolarHBondContact N-O 3.41Å; C505-L507 HydrophobicContact CB-CD2 3.83Å; C505-M513 HydrophobicContact CB-CG 4.26Å; C505-S515 CarbonylContact C-O 3.47Å; C505-S515 WeakPolarHBondContact CA-O 3.22Å; C505-I682 HydrophobicContact CB-CD1 4.14Å
506L91.2Very high88.6Confident0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-86.3132.4162.7-59179.3000108.1M490 T491 V514 S515 V517 L545M490-L506 HydrophobicContact CB-CD2 4.02Å; M490-L506 WeakPolarHBondContact O-CD2 2.96Å; T491-L506 HydrophobicContact CG2-CD2 3.92Å; L506-V514 HydrophobicContact CB-CB 4.14Å; L506-V514 WeakPolarHBondContact O-CA 3.39Å; L506-V514 WeakPolarHBondContact O-CB 3.45Å; L506-V514 PolarHBondContact O-N 2.89Å; L506-S515 PolarHBondContact N-O 3.01Å; L506-S515 PolarHBondContact O-N 3.34Å; L506-V517 HydrophobicContact CD1-CG1 3.97Å; L506-V517 HydrophobicContact CD2-CG2 4.46Å; L506-V517 HydrophobicContact CG-CG1 4Å; L506-V517 HydrophobicContact CG-CG2 4.34Å; L506-L545 HydrophobicContact CD1-CD1 4.47Å; L506-L545 HydrophobicContact CD1-CD2 4.21Å; L506-L545 HydrophobicContact CD1-CG 4.28Å; L506-L545 HydrophobicContact CD2-CD2 4.06Å
507L89.6Confident88.5Confident44 Ų4436.8 Ų36.823%0.2320%0.202CC..EExtended strand (participates in β ladder)trans-119.2159.6-177.8-51.3-171000113.6V492 C505 R512 M513 W544 I682V492-L507 HydrophobicContact CG1-CD1 3.36Å; V492-L507 HydrophobicContact CG1-CD2 4.01Å; V492-L507 HydrophobicContact CG1-CG 3.54Å; C505-L507 HydrophobicContact CB-CD2 3.83Å; L507-R512 CarbonylContact C-O 3.56Å; L507-R512 VanDerWaalsContact CA-O 3.26Å; L507-R512 WeakPolarHBondContact CA-O 3.45Å; L507-M513 HydrophobicContact CD2-CB 4.5Å; L507-W544 WeakPolarHBondContact O-CZ2 3.38Å; L507-W544 PolarHBondContact O-NE1 3.13Å; L507-I682 HydrophobicContact CD1-CD1 3.88Å; L507-I682 HydrophobicContact CD2-CD1 3.2Å; L507-I682 HydrophobicContact CD2-CG1 4.12Å; L507-I682 HydrophobicContact CG-CD1 4.13Å
508T88Confident88.6Confident10 Ų1031.3 Ų31.36%0.06118%0.177CC..  trans-80.7165.9159.475.60000111.1E368 K510 G511 R512 V514 W544E368-T508 HydrophobicContact CB-CG2 4.17Å; E368-T508 WeakPolarHBondContact OE2-CB 3.08Å; E368-T508 VanDerWaalsContact OE2-CG2 3.32Å; E368-T508 WeakPolarHBondContact OE2-CG2 3.3Å; E368-T508 PolarHBondContact OE2-OG1 3.17Å; T508-K510 PolarHBondContact O-N 3.04Å; T508-K510 PolarHBondContact OG1-N 3.21Å; T508-G511 PolarHBondContact O-N 2.91Å; T508-R512 HydrophobicContact CG2-CB 4.11Å; T508-R512 PolarHBondContact N-O 3.28Å; T508-R512 WeakPolarHBondContact OG1-CB 3.09Å; T508-R512 PolarHBondContact OG1-N 3.46Å; T508-V514 HydrophobicContact CG2-CG2 3.57Å; T508-W544 HydrophobicContact CG2-CH2 4.13Å; T508-W544 HydrophobicContact CG2-CZ2 4.31Å
509S85.5Confident88.9Confident114 Ų11428.7 Ų28.780%0.79716%0.161SC*.THydrogen-bonded Turntrans-62.9-24.2175.653.50000113.7G511S509-G511 VanDerWaalsContact C-N 3.28Å
510K86.9Confident89.3Confident90 Ų9025.2 Ų25.239%0.39114%0.136SC..THydrogen-bonded Turntrans-84.78.6170.4-68.8173.8-155.4176.90113.9D366 E368 T508D366-K510 IonicContact OD1-NZ 3.46Å; D366-K510 IonicContact OD2-NZ 3.37Å; D366-K510 PolarHBondContact OD2-NZ 3.07Å; E368-K510 WeakPolarHBondContact OE1-CB 3.38Å; E368-K510 WeakPolarHBondContact OE1-CD 3.33Å; E368-K510 WeakPolarHBondContact OE1-CE 3.37Å; E368-K510 WeakPolarHBondContact OE1-CG 3.23Å; E368-K510 PolarHBondContact OE1-N 3.18Å; T508-K510 PolarHBondContact O-N 3.04Å; T508-K510 PolarHBondContact OG1-N 3.21Å
511G86.9Confident89.4Confident22 Ų2220.7 Ų20.723%0.22712%0.116CC..SBendtrans74.324.3176.400000114.4T508 S509 T681 I682T508-G511 PolarHBondContact O-N 2.91Å; S509-G511 VanDerWaalsContact C-N 3.28Å; G511-T681 WeakPolarHBondContact O-CA 3.4Å; G511-I682 PolarHBondContact O-N 3.42Å
512R84.6Confident89.4Confident50 Ų5022.1 Ų22.119%0.18912%0.122CC..BIsolated β-bridgetrans-86.7142172.2-62.3172.4-179.9158.1-4.7109.5E368 P369 L507 T508 V514 K678E368-R512 WeakPolarHBondContact OE2-CD 3.47Å; E368-R512 IonicContact OE2-NH1 3.89Å; E368-R512 PolarHBondContact OE2-NH1 3.39Å; P369-R512 PolarHBondContact O-NH1 2.74Å; L507-R512 CarbonylContact C-O 3.56Å; L507-R512 VanDerWaalsContact CA-O 3.26Å; L507-R512 WeakPolarHBondContact CA-O 3.45Å; T508-R512 HydrophobicContact CG2-CB 4.11Å; T508-R512 PolarHBondContact N-O 3.28Å; T508-R512 WeakPolarHBondContact OG1-CB 3.09Å; T508-R512 PolarHBondContact OG1-N 3.46Å; R512-V514 PolarHBondContact O-N 2.88Å; R512-K678 WeakPolarHBondContact CB-O 3.39Å; R512-K678 VanDerWaalsContact CD-O 3.3Å; R512-K678 WeakPolarHBondContact CD-O 3.44Å; R512-K678 WeakPolarHBondContact CG-O 3.49Å
513M85.2Confident89Confident7 Ų724.3 Ų24.33%0.03414%0.14CC..EExtended strand (participates in β ladder)trans-72.6123.1178.3-168.2177.58000110.3C505 L507 Q516 P672 V676 K678C505-M513 HydrophobicContact CB-CG 4.26Å; L507-M513 HydrophobicContact CD2-CB 4.5Å; M513-Q516 HydrophobicContact CE-CG 4.17Å; M513-Q516 HydrophobicContact SD-CG 3.65Å; M513-P672 HydrophobicContact CE-CB 3.87Å; M513-P672 HydrophobicContact CE-CG 4.02Å; M513-V676 HydrophobicContact CE-CB 3.66Å; M513-V676 HydrophobicContact CE-CG1 3.28Å; M513-V676 HydrophobicContact SD-CG1 3.86Å; M513-K678 WeakPolarHBondContact O-CG 3.13Å
514V86.3Confident88.6Confident8 Ų829.5 Ų29.55%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-84.4-53.9171.7176.50000109.8L506 T508 R512 Q537 I540 W544 K678L506-V514 HydrophobicContact CB-CB 4.14Å; L506-V514 WeakPolarHBondContact O-CA 3.39Å; L506-V514 WeakPolarHBondContact O-CB 3.45Å; L506-V514 PolarHBondContact O-N 2.89Å; T508-V514 HydrophobicContact CG2-CG2 3.57Å; R512-V514 PolarHBondContact O-N 2.88Å; V514-Q537 PolarHBondContact O-OE1 3.07Å; V514-I540 HydrophobicContact CG1-CG2 3.94Å; V514-W544 HydrophobicContact CG1-CD2 4.22Å; V514-W544 HydrophobicContact CG1-CG 4.1Å; V514-W544 HydrophobicContact CG2-CD2 4.21Å; V514-W544 HydrophobicContact CG2-CH2 4.44Å; V514-W544 HydrophobicContact CG2-CZ2 3.96Å; V514-K678 WeakPolarHBondContact O-CE 3.32Å
515S87.7Confident88.2Confident2 Ų236.5 Ų36.51%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-153.8155.6177.1-175.80000110.2C505 L506 N541C505-S515 CarbonylContact C-O 3.47Å; C505-S515 WeakPolarHBondContact CA-O 3.22Å; L506-S515 PolarHBondContact N-O 3.01Å; L506-S515 PolarHBondContact O-N 3.34Å; S515-N541 WeakPolarHBondContact CB-ND2 3.43Å; S515-N541 WeakPolarHBondContact CB-OD1 3.13Å; S515-N541 PolarHBondContact OG-ND2 2.98Å; S515-N541 PolarHBondContact OG-OD1 3.02Å
516Q88.3Confident87.6Confident20 Ų2044.4 Ų44.49%0.09323%0.227CC..EExtended strand (participates in β ladder)trans-87.8143.7159.5-68.6177.1-2.200109.3S504 M513 S533 L619 P672S504-Q516 WeakPolarHBondContact O-CA 3.42Å; M513-Q516 HydrophobicContact CE-CG 4.17Å; M513-Q516 HydrophobicContact SD-CG 3.65Å; Q516-S533 WeakPolarHBondContact O-CB 3.48Å; Q516-L619 HydrophobicContact CB-CD1 4.48Å; Q516-L619 HydrophobicContact CG-CD1 4.49Å; Q516-P672 HydrophobicContact CB-CG 3.85Å; Q516-P672 HydrophobicContact CG-CG 3.62Å
517V91.3Very high87.5Confident4 Ų450 Ų502%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-138.6144.6-179-64.50000110.1T491 Y503 S504 L506 I519 V532T491-V517 HydrophobicContact CG2-CG2 4.45Å; Y503-V517 WeakPolarHBondContact CA-O 3.35Å; S504-V517 PolarHBondContact N-O 2.96Å; S504-V517 PolarHBondContact O-N 3.03Å; L506-V517 HydrophobicContact CD1-CG1 3.97Å; L506-V517 HydrophobicContact CD2-CG2 4.46Å; L506-V517 HydrophobicContact CG-CG1 4Å; L506-V517 HydrophobicContact CG-CG2 4.34Å; V517-I519 HydrophobicContact CG2-CG1 4.36Å; V517-V532 CarbonylContact C-O 3.02Å; V517-V532 WeakPolarHBondContact CA-O 3.35Å
518K92.1Very high87.7Confident8 Ų848.3 Ų48.34%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-100.4134.2162.6173.2168.750.3-137.80108.9V501 S502 Y503 I520 L531 V532 E628 Y630V501-K518 HydrophobicContact CG1-CD 3.62Å; V501-K518 HydrophobicContact CG1-CG 3.6Å; S502-K518 CarbonylContact O-C 3.2Å; S502-K518 WeakPolarHBondContact O-CA 3.42Å; Y503-K518 HydrophobicContact CD1-CB 3.83Å; Y503-K518 HydrophobicContact CD1-CG 4.41Å; Y503-K518 HydrophobicContact CE1-CB 3.61Å; Y503-K518 HydrophobicContact CE1-CD 3.87Å; Y503-K518 HydrophobicContact CE1-CG 4.04Å; Y503-K518 PolarHBondContact OH-NZ 3.07Å; K518-I520 HydrophobicContact CD-CD1 4.27Å; K518-I520 HydrophobicContact CD-CG1 4.32Å; K518-I520 HydrophobicContact CG-CD1 4.35Å; K518-I520 HydrophobicContact CG-CG1 4.02Å; K518-L531 CarbonylContact O-C 3.16Å; K518-L531 VanDerWaalsContact O-CA 3.31Å; K518-L531 WeakPolarHBondContact O-CA 3.31Å; K518-V532 HydrophobicContact CB-CB 4.24Å; K518-V532 PolarHBondContact N-O 2.84Å; K518-V532 PolarHBondContact O-N 2.82Å; K518-E628 WeakPolarHBondContact CE-OE2 3.36Å; K518-E628 IonicContact NZ-OE1 2.66Å; K518-E628 PolarHBondContact NZ-OE1 2.8Å; K518-E628 IonicContact NZ-OE2 3.43Å; K518-E628 PolarHBondContact NZ-OE2 3.42Å; K518-Y630 WeakPolarHBondContact CE-OH 3.38Å; K518-Y630 PolarHBondContact NZ-OH 2.96Å; K518-Y630 VanDerWaalsContact NZ-OH 3.16Å
519I95Very high88.1Confident0 Ų048.3 Ų48.30%024%0.242CC..EExtended strand (participates in β ladder)trans-110.8122.7-178.7-50.6172.1000108.1L487 T491 P496 S502 V517 F529 L531L487-I519 HydrophobicContact CD1-CG2 4.12Å; T491-I519 HydrophobicContact CG2-CD1 3.85Å; P496-I519 HydrophobicContact CG-CB 4.04Å; P496-I519 HydrophobicContact CG-CG2 3.98Å; S502-I519 PolarHBondContact N-O 3.29Å; S502-I519 PolarHBondContact O-N 3.06Å; V517-I519 HydrophobicContact CG2-CG1 4.36Å; I519-F529 HydrophobicContact CG2-CB 4.45Å; I519-F529 HydrophobicContact CG2-CD1 3.97Å; I519-L531 HydrophobicContact CG2-CD1 4.36Å
520I95Very high88.6Confident1 Ų143.4 Ų43.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-123.8107.4179.3-53.4164.7000108.2V501 K518 L530 V532 I608 Y630V501-I520 HydrophobicContact CG1-CG1 4.23Å; V501-I520 HydrophobicContact CG2-CG1 4.44Å; K518-I520 HydrophobicContact CD-CD1 4.27Å; K518-I520 HydrophobicContact CD-CG1 4.32Å; K518-I520 HydrophobicContact CG-CD1 4.35Å; K518-I520 HydrophobicContact CG-CG1 4.02Å; I520-L530 HydrophobicContact CB-CB 4.31Å; I520-L530 HydrophobicContact CD1-CD2 4.39Å; I520-L530 PolarHBondContact N-O 2.81Å; I520-L530 PolarHBondContact O-N 3.2Å; I520-V532 HydrophobicContact CD1-CG2 3.99Å; I520-I608 HydrophobicContact CG2-CG2 3.91Å; I520-Y630 HydrophobicContact CD1-CD2 3.95Å; I520-Y630 HydrophobicContact CD1-CE1 4.41Å; I520-Y630 HydrophobicContact CD1-CE2 3.55Å
521P94.3Very high89Confident5 Ų539.2 Ų39.23%0.03219%0.189CC..EExtended strand (participates in β ladder)trans-66.9142.5173-2237.3000110.9P496 E497 E500 A523 F529P496-P521 HydrophobicContact CB-CG 4.2Å; P496-P521 HydrophobicContact CG-CG 3.79Å; P496-P521 WeakPolarHBondContact O-CG 3.48Å; E497-P521 WeakPolarHBondContact O-CG 3.42Å; E500-P521 VanDerWaalsContact O-CD 3.25Å; E500-P521 WeakPolarHBondContact O-CD 3.4Å; P521-A523 PolarHBondContact O-N 2.85Å; P521-F529 HydrophobicContact CB-CD1 3.96Å; P521-F529 HydrophobicContact CB-CE1 3.9Å; P521-F529 HydrophobicContact CG-CD1 3.89Å; P521-F529 HydrophobicContact CG-CE1 3.83Å
522H90.4Very high89.4Confident36 Ų3638.4 Ų38.417%0.16718%0.179CC..  trans-83.9118179.6-169.9-70.3000111.5Q524 R525 L528H522-Q524 VanDerWaalsContact C-N 3.3Å; H522-Q524 PolarHBondContact ND1-N 2.76Å; H522-Q524 VanDerWaalsContact ND1-N 3.19Å; H522-Q524 PolarHBondContact O-N 2.86Å; H522-Q524 VanDerWaalsContact O-N 3.09Å; H522-R525 HydrophobicContact CB-CB 4.21Å; H522-R525 PolarHBondContact ND1-N 2.97Å; H522-R525 CarbonylContact O-C 3.54Å; H522-R525 PolarHBondContact O-N 3.19Å; H522-R525 VanDerWaalsContact O-N 3.07Å; H522-L528 HydrophobicContact CB-CB 3.94Å; H522-L528 HydrophobicContact CB-CD2 3.96Å; H522-L528 HydrophobicContact CB-CG 3.94Å; H522-L528 VanDerWaalsContact CB-O 3.3Å; H522-L528 WeakPolarHBondContact CB-O 3.23Å; H522-L528 PolarHBondContact N-O 3.25Å
523A81.7Confident89.7Confident49 Ų4936.4 Ų36.441%0.40517%0.173SC..THydrogen-bonded Turntrans-49.5-41-175.900000115.6V498 P521 Q599V498-A523 HydrophobicContact CG1-CB 4.45Å; P521-A523 PolarHBondContact O-N 2.85Å; A523-Q599 HydrophobicContact CB-CB 4.32Å
524Q79.2Confident89.9Confident139 Ų13936.9 Ų36.965%0.6518%0.178SC*.THydrogen-bonded Turntrans-98.4-2.7-176.1-61.7173.5-11.800114.6H522 Q599H522-Q524 VanDerWaalsContact C-N 3.3Å; H522-Q524 PolarHBondContact ND1-N 2.76Å; H522-Q524 VanDerWaalsContact ND1-N 3.19Å; H522-Q524 PolarHBondContact O-N 2.86Å; H522-Q524 VanDerWaalsContact O-N 3.09Å; Q524-Q599 VanDerWaalsContact CG-OE1 3.26Å; Q524-Q599 VanDerWaalsContact NE2-OE1 3.1Å
525R82.2Confident90Very high151 Ų15137 Ų3757%0.5718%0.179SC*.  trans-136.589.2-172.6-67.8-179.2179.4-177.22.8108H522 K527 L528H522-R525 HydrophobicContact CB-CB 4.21Å; H522-R525 PolarHBondContact ND1-N 2.97Å; H522-R525 CarbonylContact O-C 3.54Å; H522-R525 PolarHBondContact O-N 3.19Å; H522-R525 VanDerWaalsContact O-N 3.07Å; R525-K527 PolarHBondContact O-N 3.09Å; R525-L528 HydrophobicContact CB-CB 3.83Å; R525-L528 HydrophobicContact CB-CD2 4.2Å; R525-L528 PolarHBondContact O-N 3.48Å
526E77.9Confident89.9Confident172 Ų17239.6 Ų39.680%0.80419%0.193SC*.THydrogen-bonded Turntrans-54.4-6.9-171-64.4-179.3167.500116.3
527K88.6Confident89.9Confident117 Ų11738.9 Ų38.951%0.50919%0.19SC..THydrogen-bonded Turntrans-132.723.9-175-65.7177.2176.2179.10112.4R479 G480 R525R479-K527 VanDerWaalsContact CA-O 3.29Å; R479-K527 WeakPolarHBondContact CA-O 3.39Å; G480-K527 PolarHBondContact N-O 2.72Å; R525-K527 PolarHBondContact O-N 3.09Å
528L94.5Very high89.9Confident10 Ų1038.7 Ų38.75%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-124.4126.2178.3175.565.3000108.6E477 I478 R479 H522 R525E477-L528 HydrophobicContact CB-CD1 3.83Å; E477-L528 HydrophobicContact CG-CD1 3.87Å; I478-L528 WeakPolarHBondContact O-CA 3.4Å; R479-L528 HydrophobicContact CB-CD1 3.87Å; H522-L528 HydrophobicContact CB-CB 3.94Å; H522-L528 HydrophobicContact CB-CD2 3.96Å; H522-L528 HydrophobicContact CB-CG 3.94Å; H522-L528 VanDerWaalsContact CB-O 3.3Å; H522-L528 WeakPolarHBondContact CB-O 3.23Å; H522-L528 PolarHBondContact N-O 3.25Å; R525-L528 HydrophobicContact CB-CB 3.83Å; R525-L528 HydrophobicContact CB-CD2 4.2Å; R525-L528 PolarHBondContact O-N 3.48Å
529F96.5Very high89.9Confident10 Ų1039 Ų394%0.04419%0.192CC..EExtended strand (participates in β ladder)trans-123.6139.7175.4-60.8-97.3000108.9E477 I478 A483 H484 L487 V495 I519 P521 L531E477-F529 WeakPolarHBondContact CA-O 3.3Å; I478-F529 PolarHBondContact N-O 2.88Å; I478-F529 PolarHBondContact O-N 3.35Å; A483-F529 HydrophobicContact CB-CD2 3.86Å; A483-F529 HydrophobicContact CB-CE2 3.89Å; H484-F529 HydrophobicContact CB-CE2 4.19Å; H484-F529 HydrophobicContact CB-CZ 3.99Å; L487-F529 HydrophobicContact CD1-CB 3.58Å; L487-F529 HydrophobicContact CD1-CD1 3.81Å; L487-F529 HydrophobicContact CD1-CD2 3.73Å; L487-F529 HydrophobicContact CD1-CE1 4.43Å; L487-F529 HydrophobicContact CD1-CE2 4.37Å; L487-F529 HydrophobicContact CD1-CG 3.42Å; L487-F529 VanDerWaalsContact CD1-CG 3.42Å; V495-F529 HydrophobicContact CG1-CD1 4.07Å; V495-F529 HydrophobicContact CG1-CE1 3.45Å; V495-F529 VanDerWaalsContact CG1-CE1 3.45Å; V495-F529 HydrophobicContact CG1-CZ 3.96Å; I519-F529 HydrophobicContact CG2-CB 4.45Å; I519-F529 HydrophobicContact CG2-CD1 3.97Å; P521-F529 HydrophobicContact CB-CD1 3.96Å; P521-F529 HydrophobicContact CB-CE1 3.9Å; P521-F529 HydrophobicContact CG-CD1 3.89Å; P521-F529 HydrophobicContact CG-CE1 3.83Å; F529-L531 HydrophobicContact CB-CD1 4.13Å
530L95.9Very high89.6Confident10 Ų1039.2 Ų39.25%0.05219%0.193CC..EExtended strand (participates in β ladder)trans-99.6122.3170-177.267.2000108.7M475 E477 I520 V532 V561 L565 Y630M475-L530 HydrophobicContact CB-CD1 4.05Å; M475-L530 HydrophobicContact CG-CD1 4.47Å; E477-L530 HydrophobicContact CG-CD1 4.41Å; I520-L530 HydrophobicContact CB-CB 4.31Å; I520-L530 HydrophobicContact CD1-CD2 4.39Å; I520-L530 PolarHBondContact N-O 2.81Å; I520-L530 PolarHBondContact O-N 3.2Å; L530-V532 HydrophobicContact CD2-CG2 4.18Å; L530-V532 HydrophobicContact CG-CG2 4.08Å; L530-V561 HydrophobicContact CD1-CG2 4.14Å; L530-L565 HydrophobicContact CD1-CD1 3.98Å; L530-L565 HydrophobicContact CD2-CD1 4.35Å; L530-Y630 HydrophobicContact CD2-CD1 3.98Å; L530-Y630 HydrophobicContact CD2-CG 4.27Å
531L96Very high89.5Confident2 Ų239.2 Ų39.21%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-101.2124.1173.8-86.463.9000108.7M475 I476 I478 L487 K518 I519 F529 L545M475-L531 WeakPolarHBondContact CA-O 3.49Å; I476-L531 HydrophobicContact CB-CB 4.32Å; I476-L531 PolarHBondContact N-O 2.87Å; I476-L531 PolarHBondContact O-N 3.39Å; I478-L531 HydrophobicContact CB-CD1 4.48Å; I478-L531 HydrophobicContact CG1-CD1 3.74Å; I478-L531 HydrophobicContact CG1-CD2 4.13Å; I478-L531 HydrophobicContact CG1-CG 4.47Å; L487-L531 HydrophobicContact CD1-CD1 4.08Å; L487-L531 HydrophobicContact CD2-CD1 3.81Å; L487-L531 HydrophobicContact CD2-CD2 3.78Å; L487-L531 HydrophobicContact CD2-CG 4.34Å; K518-L531 CarbonylContact O-C 3.16Å; K518-L531 VanDerWaalsContact O-CA 3.31Å; K518-L531 WeakPolarHBondContact O-CA 3.31Å; I519-L531 HydrophobicContact CG2-CD1 4.36Å; F529-L531 HydrophobicContact CB-CD1 4.13Å; L531-L545 HydrophobicContact CD2-CD1 3.83Å; L531-L545 HydrophobicContact CD2-CD2 4.48Å
532V94.6Very high89.5Confident5 Ų540.5 Ų40.53%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-114.4130.3-179.7-171.60000110.1L473 S474 M475 V517 K518 I520 L530 Y630L473-V532 HydrophobicContact CB-CG1 3.91Å; L473-V532 HydrophobicContact CD1-CG1 3.85Å; L473-V532 HydrophobicContact CG-CG1 4.48Å; S474-V532 CarbonylContact O-C 3.59Å; S474-V532 VanDerWaalsContact O-CA 3.23Å; S474-V532 WeakPolarHBondContact O-CA 3.47Å; M475-V532 HydrophobicContact CG-CG2 4.36Å; V517-V532 CarbonylContact C-O 3.02Å; V517-V532 WeakPolarHBondContact CA-O 3.35Å; K518-V532 HydrophobicContact CB-CB 4.24Å; K518-V532 PolarHBondContact N-O 2.84Å; K518-V532 PolarHBondContact O-N 2.82Å; I520-V532 HydrophobicContact CD1-CG2 3.99Å; L530-V532 HydrophobicContact CD2-CG2 4.18Å; L530-V532 HydrophobicContact CG-CG2 4.08Å; V532-Y630 HydrophobicContact CG1-CE1 4.17Å; V532-Y630 HydrophobicContact CG2-CD1 4.47Å; V532-Y630 HydrophobicContact CG2-CE1 3.64Å
533S91.4Very high89.5Confident9 Ų940 Ų406%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-144.9178.817864.30000112S474 Q516 N541S474-S533 VanDerWaalsContact CB-OG 3.28Å; S474-S533 WeakPolarHBondContact CB-OG 3.25Å; S474-S533 PolarHBondContact N-O 3.28Å; S474-S533 PolarHBondContact O-N 2.88Å; S474-S533 PolarHBondContact OG-OG 3.12Å; Q516-S533 WeakPolarHBondContact O-CB 3.48Å; S533-N541 WeakPolarHBondContact CB-ND2 3.48Å; S533-N541 PolarHBondContact OG-ND2 3Å
534A88.3Confident90Very high16 Ų1638.8 Ų38.813%0.13218%0.182CC..  trans-62.1151.8172.100000111.6S474 D536 Q537S474-A534 WeakPolarHBondContact CB-O 3.38Å; A534-D536 VanDerWaalsContact C-N 3.34Å; A534-D536 WeakPolarHBondContact CB-OD1 3.35Å; A534-D536 PolarHBondContact O-N 2.85Å; A534-Q537 HydrophobicContact CB-CG 4.34Å; A534-Q537 PolarHBondContact O-N 3.02Å
535S89.4Confident90.7Very high10 Ų1032.2 Ų32.27%0.0715%0.151CC..THydrogen-bonded Turntrans-68.4-28-172.658.40000114.1V437 S438 S472 Q537V437-S535 WeakPolarHBondContact CG1-OG 3.49Å; S438-S535 WeakPolarHBondContact CB-O 3.45Å; S438-S535 VanDerWaalsContact OG-C 3.29Å; S438-S535 PolarHBondContact OG-O 3.5Å; S472-S535 WeakPolarHBondContact O-CB 3.42Å; S535-Q537 VanDerWaalsContact C-N 3.34Å
536D85.2Confident91.3Very high58 Ų5826.3 Ų26.331%0.3113%0.132SC..THydrogen-bonded Turntrans-77.6-20.4176.765.7-42.7000112.7S438 A534S438-D536 WeakPolarHBondContact OG-CA 3.2Å; S438-D536 PolarHBondContact OG-N 3.45Å; A534-D536 VanDerWaalsContact C-N 3.34Å; A534-D536 WeakPolarHBondContact CB-OD1 3.35Å; A534-D536 PolarHBondContact O-N 2.85Å
537Q88.3Confident91.9Very high4 Ų420.7 Ų20.72%0.01911%0.105CC..SBendtrans-88.5-8177.9-58.3-57.6-55.100113.1V514 A534 S535 I540 N541V514-Q537 PolarHBondContact O-OE1 3.07Å; A534-Q537 HydrophobicContact CB-CG 4.34Å; A534-Q537 PolarHBondContact O-N 3.02Å; S535-Q537 VanDerWaalsContact C-N 3.34Å; Q537-I540 PolarHBondContact O-N 3.09Å; Q537-N541 WeakPolarHBondContact O-CB 3.45Å; Q537-N541 VanDerWaalsContact O-CG 3.3Å; Q537-N541 PolarHBondContact O-N 3Å
538E91.9Very high92.1Very high0 Ų016.2 Ų16.20%09%0.086CC..Hα-helixtrans-48.1-59.9-178.9-176.9165.3123.100113.5R419 S474 I540 N541 V542 N560 S562R419-E538 IonicContact CZ-OE1 2.85Å; R419-E538 IonicContact NH1-OE1 2.8Å; R419-E538 IonicContact NH2-OE1 3.43Å; R419-E538 PolarHBondContact NH2-OE1 3.19Å; S474-E538 WeakPolarHBondContact CA-OE2 3.46Å; S474-E538 WeakPolarHBondContact OG-CA 3.42Å; E538-I540 VanDerWaalsContact C-N 3.28Å; E538-I540 PolarHBondContact O-N 2.86Å; E538-N541 PolarHBondContact O-N 3.15Å; E538-V542 WeakPolarHBondContact O-CG2 3.49Å; E538-V542 PolarHBondContact O-N 2.81Å; E538-N560 VanDerWaalsContact CD-ND2 3.33Å; E538-N560 PolarHBondContact OE1-ND2 2.96Å; E538-S562 VanDerWaalsContact CD-OG 3.29Å; E538-S562 WeakPolarHBondContact OE2-CB 3.17Å; E538-S562 PolarHBondContact OE2-OG 3.33Å
539P91Very high92Very high16 Ų1616 Ų1610%0.1049%0.086CC..Hα-helixtrans-64.7-34.2-178.525.7-36.2000112.6E377 G379 R543E377-P539 HydrophobicContact CG-CG 4.21Å; G379-P539 VanDerWaalsContact O-CB 3.31Å; G379-P539 WeakPolarHBondContact O-CB 3.46Å; P539-R543 VanDerWaalsContact O-CB 3.26Å; P539-R543 WeakPolarHBondContact O-CB 3.45Å; P539-R543 PolarHBondContact O-N 2.8Å
540I90.2Very high91.7Very high4 Ų419.9 Ų19.92%0.02111%0.106CC..Hα-helixtrans-66.1-46.6179.2-61.6174.4000109.8E377 V514 Q537 E538 R543 W544E377-I540 HydrophobicContact CG-CD1 4.38Å; E377-I540 HydrophobicContact CG-CG1 3.81Å; V514-I540 HydrophobicContact CG1-CG2 3.94Å; Q537-I540 PolarHBondContact O-N 3.09Å; E538-I540 VanDerWaalsContact C-N 3.28Å; E538-I540 PolarHBondContact O-N 2.86Å; I540-R543 PolarHBondContact O-N 3.43Å; I540-W544 WeakPolarHBondContact O-CB 3.45Å; I540-W544 PolarHBondContact O-N 3.35Å
541N92.9Very high91.3Very high1 Ų126.6 Ų26.61%0.00513%0.131CC..Hα-helixtrans-68.4-44.6-178.2-73.1-16.9000111.6I476 S515 S533 Q537 E538 R543 W544 L545I476-N541 HydrophobicContact CD1-CB 3.67Å; S515-N541 WeakPolarHBondContact CB-ND2 3.43Å; S515-N541 WeakPolarHBondContact CB-OD1 3.13Å; S515-N541 PolarHBondContact OG-ND2 2.98Å; S515-N541 PolarHBondContact OG-OD1 3.02Å; S533-N541 WeakPolarHBondContact CB-ND2 3.48Å; S533-N541 PolarHBondContact OG-ND2 3Å; Q537-N541 WeakPolarHBondContact O-CB 3.45Å; Q537-N541 VanDerWaalsContact O-CG 3.3Å; Q537-N541 PolarHBondContact O-N 3Å; E538-N541 PolarHBondContact O-N 3.15Å; N541-R543 VanDerWaalsContact C-N 3.33Å; N541-R543 PolarHBondContact O-N 3.13Å; N541-W544 PolarHBondContact O-N 2.98Å; N541-L545 VanDerWaalsContact O-CB 3.3Å; N541-L545 WeakPolarHBondContact O-CB 3.49Å; N541-L545 WeakPolarHBondContact O-CD1 3.44Å; N541-L545 VanDerWaalsContact O-CG 3.23Å; N541-L545 WeakPolarHBondContact O-CG 3.43Å; N541-L545 PolarHBondContact O-N 3.32Å
542V93.5Very high91.1Very high32 Ų3230.1 Ų30.119%0.19415%0.147CC..Hα-helixtrans-57.5-48.5174.4173.40000110.1I476 E538 T546 N560I476-V542 HydrophobicContact CD1-CG2 3.61Å; I476-V542 HydrophobicContact CG1-CG2 3.95Å; E538-V542 WeakPolarHBondContact O-CG2 3.49Å; E538-V542 PolarHBondContact O-N 2.81Å; V542-T546 WeakPolarHBondContact O-CB 3.26Å; V542-T546 PolarHBondContact O-N 3.04Å; V542-T546 PolarHBondContact O-OG1 2.71Å; V542-N560 HydrophobicContact CG2-CB 3.97Å
543R91.2Very high91Very high25 Ų2538.7 Ų38.79%0.09418%0.184CC..Hα-helixtrans-62.1-48.6178.7-177-177.667.7-158.7-12.5112.1P333 T336 E377 P539 I540 N541 T546 F547P333-R543 PolarHBondContact O-NH1 3.02Å; T336-R543 HydrophobicContact CG2-CB 4.24Å; T336-R543 HydrophobicContact CG2-CG 4.1Å; E377-R543 VanDerWaalsContact CD-NH1 3.28Å; E377-R543 IonicContact OE1-CZ 3.4Å; E377-R543 IonicContact OE1-NH1 3.46Å; E377-R543 PolarHBondContact OE1-NH1 3.3Å; E377-R543 IonicContact OE1-NH2 3.49Å; E377-R543 IonicContact OE2-CZ 3.81Å; E377-R543 VanDerWaalsContact OE2-CZ 3.22Å; E377-R543 IonicContact OE2-NH1 2.66Å; E377-R543 PolarHBondContact OE2-NH1 3Å; E377-R543 IonicContact OE2-NH2 3.51Å; E377-R543 PolarHBondContact OE2-NH2 3.46Å; P539-R543 VanDerWaalsContact O-CB 3.26Å; P539-R543 WeakPolarHBondContact O-CB 3.45Å; P539-R543 PolarHBondContact O-N 2.8Å; I540-R543 PolarHBondContact O-N 3.43Å; N541-R543 VanDerWaalsContact C-N 3.33Å; N541-R543 PolarHBondContact O-N 3.13Å; R543-T546 PolarHBondContact O-N 3.45Å; R543-F547 VanDerWaalsContact O-CB 3.28Å; R543-F547 WeakPolarHBondContact O-CB 3.1Å; R543-F547 PolarHBondContact O-N 3.13Å
544W91.3Very high91.2Very high23 Ų2340.3 Ų40.39%0.08719%0.19CC..Hα-helixtrans-62.7-48.2-176.1-168-103.7000111.8M490 L507 T508 V514 I540 N541 H548M490-W544 HydrophobicContact CE-CG 4.49Å; L507-W544 WeakPolarHBondContact O-CZ2 3.38Å; L507-W544 PolarHBondContact O-NE1 3.13Å; T508-W544 HydrophobicContact CG2-CH2 4.13Å; T508-W544 HydrophobicContact CG2-CZ2 4.31Å; V514-W544 HydrophobicContact CG1-CD2 4.22Å; V514-W544 HydrophobicContact CG1-CG 4.1Å; V514-W544 HydrophobicContact CG2-CD2 4.21Å; V514-W544 HydrophobicContact CG2-CH2 4.44Å; V514-W544 HydrophobicContact CG2-CZ2 3.96Å; I540-W544 WeakPolarHBondContact O-CB 3.45Å; I540-W544 PolarHBondContact O-N 3.35Å; N541-W544 PolarHBondContact O-N 2.98Å; W544-H548 AromaticContact CE2-CD2 3.73Å; W544-H548 AromaticContact CE2-NE2 3.51Å; W544-H548 AromaticContact CH2-NE2 3.89Å; W544-H548 AromaticContact CZ2-NE2 3.38Å; W544-H548 WeakPolarHBondContact CZ2-NE2 3.5Å; W544-H548 AromaticContact NE1-CD2 3.78Å; W544-H548 AromaticContact NE1-NE2 3.91Å; W544-H548 PolarHBondContact O-CD2 2.93Å; W544-H548 VanDerWaalsContact O-CD2 3.3Å; W544-H548 PolarHBondContact O-N 3.28Å
545L94.8Very high91.5Very high1 Ų143.1 Ų43.11%0.00521%0.207CC..Hα-helixtrans-65.3-45.1178.5-66.9165.3000111I476 I478 F486 M490 L506 L531 N541 F547 H548 A549 V558I476-L545 HydrophobicContact CD1-CD1 4.31Å; I476-L545 HydrophobicContact CG2-CD1 4.45Å; I478-L545 HydrophobicContact CD1-CD1 4.15Å; F486-L545 HydrophobicContact CE1-CB 4.32Å; F486-L545 HydrophobicContact CE1-CD2 3.93Å; F486-L545 HydrophobicContact CZ-CB 4.18Å; F486-L545 HydrophobicContact CZ-CD2 3.97Å; F486-L545 VanDerWaalsContact CZ-O 3.24Å; F486-L545 WeakPolarHBondContact CZ-O 3.44Å; M490-L545 HydrophobicContact CB-CD2 4.29Å; M490-L545 HydrophobicContact CE-CD2 4.21Å; M490-L545 HydrophobicContact CG-CD2 4.1Å; L506-L545 HydrophobicContact CD1-CD1 4.47Å; L506-L545 HydrophobicContact CD1-CD2 4.21Å; L506-L545 HydrophobicContact CD1-CG 4.28Å; L506-L545 HydrophobicContact CD2-CD2 4.06Å; L531-L545 HydrophobicContact CD2-CD1 3.83Å; L531-L545 HydrophobicContact CD2-CD2 4.48Å; N541-L545 VanDerWaalsContact O-CB 3.3Å; N541-L545 WeakPolarHBondContact O-CB 3.49Å; N541-L545 WeakPolarHBondContact O-CD1 3.44Å; N541-L545 VanDerWaalsContact O-CG 3.23Å; N541-L545 WeakPolarHBondContact O-CG 3.43Å; N541-L545 PolarHBondContact O-N 3.32Å; L545-F547 PolarHBondContact O-N 3.48Å; L545-H548 PolarHBondContact O-N 3.29Å; L545-A549 VanDerWaalsContact O-CB 3.3Å; L545-A549 WeakPolarHBondContact O-CB 3.24Å; L545-A549 PolarHBondContact O-N 2.85Å; L545-V558 HydrophobicContact CB-CG1 3.97Å; L545-V558 HydrophobicContact CB-CG2 4.08Å
546T93.8Very high91.8Very high27 Ų2743.9 Ų43.917%0.16621%0.211CC..Hα-helixtrans-63.2-43.7179.4-56.10000111.8T336 V542 R543 H548 A549 L550T336-T546 HydrophobicContact CG2-CG2 4.09Å; V542-T546 WeakPolarHBondContact O-CB 3.26Å; V542-T546 PolarHBondContact O-N 3.04Å; V542-T546 PolarHBondContact O-OG1 2.71Å; R543-T546 PolarHBondContact O-N 3.45Å; T546-H548 PolarHBondContact O-N 2.96Å; T546-A549 PolarHBondContact O-N 3.04Å; T546-L550 HydrophobicContact CG2-CD1 3.91Å; T546-L550 WeakPolarHBondContact O-CG 3.35Å; T546-L550 PolarHBondContact O-N 2.89Å; T546-L550 VanDerWaalsContact O-N 3.08Å
547F90.7Very high92.3Very high54 Ų5445.6 Ų45.624%0.23722%0.218CC..Hα-helixtrans-56.6-51.5176.9175.2-108.7000111.6T336 R543 L545 L550 R551T336-F547 WeakPolarHBondContact O-CA 3.33Å; T336-F547 VanDerWaalsContact O-CB 3.23Å; T336-F547 WeakPolarHBondContact O-CB 3.5Å; T336-F547 WeakPolarHBondContact O-CD2 3.31Å; R543-F547 VanDerWaalsContact O-CB 3.28Å; R543-F547 WeakPolarHBondContact O-CB 3.1Å; R543-F547 PolarHBondContact O-N 3.13Å; L545-F547 PolarHBondContact O-N 3.48Å; F547-L550 PolarHBondContact O-N 2.96Å; F547-R551 WeakPolarHBondContact O-CB 3.15Å; F547-R551 PolarHBondContact O-N 3.33Å
548H91.8Very high92.7Very high24 Ų2446.6 Ų46.611%0.11122%0.224CC..Hα-helixtrans-70.6-36.1-178-80.6-76.1000112.8F486 M490 W544 L545 T546 L550 E552F486-H548 HydrophobicContact CE2-CB 4.17Å; M490-H548 HydrophobicContact CE-CB 3.93Å; M490-H548 HydrophobicContact SD-CB 3.45Å; M490-H548 WeakPolarHBondContact SD-CB 3.31Å; W544-H548 AromaticContact CE2-CD2 3.73Å; W544-H548 AromaticContact CE2-NE2 3.51Å; W544-H548 AromaticContact CH2-NE2 3.89Å; W544-H548 AromaticContact CZ2-NE2 3.38Å; W544-H548 WeakPolarHBondContact CZ2-NE2 3.5Å; W544-H548 AromaticContact NE1-CD2 3.78Å; W544-H548 AromaticContact NE1-NE2 3.91Å; W544-H548 PolarHBondContact O-CD2 2.93Å; W544-H548 VanDerWaalsContact O-CD2 3.3Å; W544-H548 PolarHBondContact O-N 3.28Å; L545-H548 PolarHBondContact O-N 3.29Å; T546-H548 PolarHBondContact O-N 2.96Å; H548-L550 VanDerWaalsContact C-N 3.3Å; H548-L550 PolarHBondContact O-N 3.04Å; H548-E552 VanDerWaalsContact O-CB 3.31Å; H548-E552 WeakPolarHBondContact O-CB 3.26Å; H548-E552 WeakPolarHBondContact O-CG 3.37Å; H548-E552 PolarHBondContact O-N 2.86Å
549A93.6Very high92.9Very high5 Ų547.5 Ų47.54%0.04123%0.231CC..Hα-helixtrans-57-45.9173.300000111.4F486 L545 T546 K553 F554 V556F486-A549 HydrophobicContact CE2-CB 3.94Å; F486-A549 HydrophobicContact CZ-CB 3.94Å; L545-A549 VanDerWaalsContact O-CB 3.3Å; L545-A549 WeakPolarHBondContact O-CB 3.24Å; L545-A549 PolarHBondContact O-N 2.85Å; T546-A549 PolarHBondContact O-N 3.04Å; A549-K553 CarbonylContact O-C 3.57Å; A549-K553 WeakPolarHBondContact O-CA 3.42Å; A549-K553 PolarHBondContact O-N 2.95Å; A549-K553 VanDerWaalsContact O-N 3.15Å; A549-F554 PolarHBondContact O-N 2.94Å; A549-V556 HydrophobicContact CB-CG2 3.52Å
550L89.4Confident93.1Very high92 Ų9249 Ų4948%0.48224%0.238SC..Hα-helixtrans-73-47.7180-69169.9000112.5N337 T546 F547 H548 E552 K553N337-L550 HydrophobicContact CB-CD1 3.5Å; T546-L550 HydrophobicContact CG2-CD1 3.91Å; T546-L550 WeakPolarHBondContact O-CG 3.35Å; T546-L550 PolarHBondContact O-N 2.89Å; T546-L550 VanDerWaalsContact O-N 3.08Å; F547-L550 PolarHBondContact O-N 2.96Å; H548-L550 VanDerWaalsContact C-N 3.3Å; H548-L550 PolarHBondContact O-N 3.04Å; L550-E552 PolarHBondContact O-N 2.79Å; L550-K553 PolarHBondContact O-N 3.28Å
551R87.5Confident93.3Very high150 Ų15049.5 Ų49.557%0.56624%0.242SC*.Hα-helixtrans-60.6-47-178.4177.8-178.8168.2152.85.4112F547 K553F547-R551 WeakPolarHBondContact O-CB 3.15Å; F547-R551 PolarHBondContact O-N 3.33Å; R551-K553 VanDerWaalsContact C-N 3.26Å; R551-K553 PolarHBondContact O-N 2.82Å
552E91.8Very high93.4Very high77 Ų7749.5 Ų49.536%0.3624%0.241SC..THydrogen-bonded Turntrans-88.13.7-178.6-53.4-57.1141.200112.3Y489 H548 L550 F554Y489-E552 HydrophobicContact CE1-CG 3.97Å; H548-E552 VanDerWaalsContact O-CB 3.31Å; H548-E552 WeakPolarHBondContact O-CB 3.26Å; H548-E552 WeakPolarHBondContact O-CG 3.37Å; H548-E552 PolarHBondContact O-N 2.86Å; L550-E552 PolarHBondContact O-N 2.79Å; E552-F554 VanDerWaalsContact C-N 3.32Å; E552-F554 HydrophobicContact CB-CD2 3.66Å; E552-F554 HydrophobicContact CB-CE2 3.56Å; E552-F554 HydrophobicContact CG-CE2 4.4Å; E552-F554 PolarHBondContact O-N 3.3Å
553K93.1Very high93.4Very high184 Ų18451.8 Ų51.880%0.825%0.25SS*.THydrogen-bonded Turntrans58.237.2175.4-54.8179-179.3177.70114A549 L550 R551 P555A549-K553 CarbonylContact O-C 3.57Å; A549-K553 WeakPolarHBondContact O-CA 3.42Å; A549-K553 PolarHBondContact O-N 2.95Å; A549-K553 VanDerWaalsContact O-N 3.15Å; L550-K553 PolarHBondContact O-N 3.28Å; R551-K553 VanDerWaalsContact C-N 3.26Å; R551-K553 PolarHBondContact O-N 2.82Å; K553-P555 WeakPolarHBondContact O-CD 3.39Å
554F95.1Very high93.6Very high43 Ų4356.3 Ų56.319%0.18927%0.27CS..  trans-73.7126.4169.9-73.2-79.1000110Q485 F486 Y489 A549 E552 V556Q485-F554 HydrophobicContact CB-CE1 4.18Å; F486-F554 HydrophobicContact CB-CB 4.18Å; F486-F554 HydrophobicContact CB-CD1 3.94Å; F486-F554 HydrophobicContact CB-CD2 4.42Å; F486-F554 HydrophobicContact CB-CE1 4.43Å; F486-F554 HydrophobicContact CB-CG 3.94Å; F486-F554 HydrophobicContact CD2-CB 4.05Å; F486-F554 AromaticContact CD2-CD2 3.51Å; F486-F554 HydrophobicContact CD2-CD2 3.51Å; F486-F554 HydrophobicContact CD2-CE2 4.03Å; F486-F554 AromaticContact CD2-CG 3.78Å; F486-F554 HydrophobicContact CD2-CG 3.78Å; F486-F554 HydrophobicContact CE2-CD2 4.27Å; F486-F554 HydrophobicContact CG-CB 4.34Å; F486-F554 HydrophobicContact CG-CD2 4.4Å; F486-F554 HydrophobicContact CG-CG 4.26Å; Y489-F554 HydrophobicContact CD1-CE2 4.03Å; Y489-F554 HydrophobicContact CG-CE2 4.06Å; Y489-F554 HydrophobicContact CG-CZ 4.11Å; A549-F554 PolarHBondContact O-N 2.94Å; E552-F554 VanDerWaalsContact C-N 3.32Å; E552-F554 HydrophobicContact CB-CD2 3.66Å; E552-F554 HydrophobicContact CB-CE2 3.56Å; E552-F554 HydrophobicContact CG-CE2 4.4Å; E552-F554 PolarHBondContact O-N 3.3Å; F554-V556 HydrophobicContact CB-CG1 4.29Å; F554-V556 HydrophobicContact CB-CG2 4.02Å; F554-V556 PolarHBondContact O-N 2.91Å
555P95.2Very high93.8Very high75 Ų7557 Ų5749%0.48728%0.276SS..  trans-7770.817632.9-36.9000110.6S482 K553S482-P555 WeakPolarHBondContact OG-CG 3.49Å; K553-P555 WeakPolarHBondContact O-CD 3.39Å
556V96.5Very high93.8Very high26 Ų2656.9 Ų56.916%0.15828%0.275CS..  trans-130.6151.4-179.5-58.80000110.4R479 A483 F486 A549 F554R479-V556 CarbonylContact O-C 3.56Å; R479-V556 VanDerWaalsContact O-CA 3.31Å; R479-V556 WeakPolarHBondContact O-CA 3.47Å; A483-V556 HydrophobicContact CB-CG1 4.43Å; F486-V556 HydrophobicContact CB-CG1 4.01Å; F486-V556 HydrophobicContact CB-CG2 4.38Å; F486-V556 HydrophobicContact CD1-CG2 3.85Å; F486-V556 HydrophobicContact CD2-CG2 4.47Å; F486-V556 HydrophobicContact CE1-CG2 4.25Å; F486-V556 HydrophobicContact CG-CG1 4.46Å; F486-V556 HydrophobicContact CG-CG2 3.96Å; A549-V556 HydrophobicContact CB-CG2 3.52Å; F554-V556 HydrophobicContact CB-CG1 4.29Å; F554-V556 HydrophobicContact CB-CG2 4.02Å; F554-V556 PolarHBondContact O-N 2.91Å
557E95.6Very high93.9Very high95 Ų9555.6 Ų55.644%0.44427%0.267SS..EExtended strand (participates in β ladder)trans-109133.4170.3-174.4-176.8168.800108.8I478 R479I478-E557 WeakPolarHBondContact CA-O 3.48Å; R479-E557 HydrophobicContact CG-CB 3.86Å; R479-E557 IonicContact CZ-OE1 3.58Å; R479-E557 IonicContact CZ-OE2 3.73Å; R479-E557 PolarHBondContact N-O 3.03Å; R479-E557 VanDerWaalsContact NE-CD 3.28Å; R479-E557 IonicContact NE-OE1 3.5Å; R479-E557 IonicContact NE-OE2 3.72Å; R479-E557 PolarHBondContact NE-OE2 3.19Å; R479-E557 IonicContact NH2-OE1 2.89Å; R479-E557 PolarHBondContact NH2-OE1 3.38Å; R479-E557 IonicContact NH2-OE2 2.69Å; R479-E557 PolarHBondContact NH2-OE2 3.45Å; R479-E557 PolarHBondContact O-N 3.45Å
558V96.3Very high94.1Very high25 Ų2553 Ų5315%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-108.6111175.5-178.40000107.2I476 I478 L545I476-V558 HydrophobicContact CG2-CG1 3.67Å; I478-V558 HydrophobicContact CD1-CB 4.05Å; I478-V558 HydrophobicContact CD1-CG1 3.8Å; I478-V558 HydrophobicContact CD1-CG2 3.72Å; L545-V558 HydrophobicContact CB-CG1 3.97Å; L545-V558 HydrophobicContact CB-CG2 4.08Å
559A95.8Very high94.3Very high18 Ų1851.9 Ų51.915%0.14925%0.251CS..EExtended strand (participates in β ladder)trans-119.5121.9-17600000111.1I476 E477 V561I476-A559 CarbonylContact C-O 3.56Å; I476-A559 WeakPolarHBondContact CA-O 3.43Å; E477-A559 HydrophobicContact CB-CB 4.35Å; E477-A559 PolarHBondContact N-O 3.34Å; E477-A559 PolarHBondContact O-N 2.88Å; A559-V561 HydrophobicContact CB-CG1 4.47Å; A559-V561 PolarHBondContact O-N 3.34Å
560N94.7Very high94.4Very high48 Ų4851.7 Ų51.726%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-72.9117.7169.6-176.6-3000109.4E382 E538 V542 S562E382-N560 PolarHBondContact OE1-ND2 2.61Å; E538-N560 VanDerWaalsContact CD-ND2 3.33Å; E538-N560 PolarHBondContact OE1-ND2 2.96Å; V542-N560 HydrophobicContact CG2-CB 3.97Å; N560-S562 WeakPolarHBondContact OD1-CB 3.01Å; N560-S562 PolarHBondContact OD1-N 2.86Å; N560-S562 VanDerWaalsContact OD1-N 3.09Å; N560-S562 PolarHBondContact OD1-OG 3.12Å; N560-S562 VanDerWaalsContact OD1-OG 3.05Å
561V95.7Very high94.6Very high15 Ų1547.3 Ų47.39%0.09123%0.226CC..  trans-118.18.1-179.2-61.80000113.2M475 E477 L530 A559 Q563 F564 L565M475-V561 HydrophobicContact CB-CG2 4.07Å; M475-V561 WeakPolarHBondContact O-CG2 3.42Å; M475-V561 PolarHBondContact O-N 2.93Å; E477-V561 HydrophobicContact CB-CG1 4.3Å; E477-V561 HydrophobicContact CG-CG1 3.9Å; E477-V561 HydrophobicContact CG-CG2 3.88Å; L530-V561 HydrophobicContact CD1-CG2 4.14Å; A559-V561 HydrophobicContact CB-CG1 4.47Å; A559-V561 PolarHBondContact O-N 3.34Å; V561-Q563 PolarHBondContact O-N 2.82Å; V561-Q563 VanDerWaalsContact O-N 3.08Å; V561-F564 PolarHBondContact O-N 2.95Å; V561-L565 HydrophobicContact CB-CD1 4.44Å; V561-L565 HydrophobicContact CB-CG 4.41Å; V561-L565 HydrophobicContact CG2-CD1 3.65Å; V561-L565 HydrophobicContact CG2-CG 4.09Å; V561-L565 PolarHBondContact O-N 2.7Å
562S94.7Very high94.9Very high0 Ų040.1 Ų40.10%020%0.199CC..THydrogen-bonded Turntrans-54-32.5-177.3-57.90000113.9W440 S474 M475 E538 N560 F564W440-S562 WeakPolarHBondContact CZ2-O 3.37Å; S474-S562 WeakPolarHBondContact CA-OG 3.25Å; M475-S562 PolarHBondContact N-OG 2.83Å; M475-S562 PolarHBondContact O-N 3.39Å; M475-S562 PolarHBondContact O-OG 3.43Å; E538-S562 VanDerWaalsContact CD-OG 3.29Å; E538-S562 WeakPolarHBondContact OE2-CB 3.17Å; E538-S562 PolarHBondContact OE2-OG 3.33Å; N560-S562 WeakPolarHBondContact OD1-CB 3.01Å; N560-S562 PolarHBondContact OD1-N 2.86Å; N560-S562 VanDerWaalsContact OD1-N 3.09Å; N560-S562 PolarHBondContact OD1-OG 3.12Å; N560-S562 VanDerWaalsContact OD1-OG 3.05Å; S562-F564 VanDerWaalsContact C-N 3.32Å; S562-F564 PolarHBondContact O-N 3.38Å
563Q92.8Very high94.9Very high81 Ų8139 Ų3938%0.37920%0.199SC..THydrogen-bonded Turntrans-75.4-19.5179.468.6-174.114.500114.4V561 R633V561-Q563 PolarHBondContact O-N 2.82Å; V561-Q563 VanDerWaalsContact O-N 3.08Å; Q563-R633 WeakPolarHBondContact O-CD 2.97Å; Q563-R633 PolarHBondContact O-NH1 2.9Å; Q563-R633 VanDerWaalsContact O-NH1 3.11Å
564F94.8Very high95Very high119 Ų11932.9 Ų32.952%0.52217%0.174SC..THydrogen-bonded Turntrans-105.4-29.3-174.1-57-64.3000113.1V561 S562 R633V561-F564 PolarHBondContact O-N 2.95Å; S562-F564 VanDerWaalsContact C-N 3.32Å; S562-F564 PolarHBondContact O-N 3.38Å; F564-R633 WeakPolarHBondContact O-CB 3.42Å; F564-R633 PolarHBondContact O-N 3.31Å
565L95.8Very high95Very high37 Ų3730.8 Ų30.819%0.19417%0.165CC..EExtended strand (participates in β ladder)trans-96160.2174.5-61.3-173.8000110.8M475 L530 V561 H631M475-L565 HydrophobicContact CE-CB 4.04Å; M475-L565 HydrophobicContact SD-CB 3.57Å; M475-L565 VanDerWaalsContact SD-CB 3.57Å; M475-L565 HydrophobicContact SD-CD1 4.32Å; L530-L565 HydrophobicContact CD1-CD1 3.98Å; L530-L565 HydrophobicContact CD2-CD1 4.35Å; V561-L565 HydrophobicContact CB-CD1 4.44Å; V561-L565 HydrophobicContact CB-CG 4.41Å; V561-L565 HydrophobicContact CG2-CD1 3.65Å; V561-L565 HydrophobicContact CG2-CG 4.09Å; V561-L565 PolarHBondContact O-N 2.7Å; L565-H631 CarbonylContact C-O 3.58Å; L565-H631 WeakPolarHBondContact CA-O 3.42Å
566A96.5Very high94.9Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-137.7160.1171.500000109Y630 H631 R633 T636A566-Y630 WeakPolarHBondContact O-CA 3.17Å; A566-H631 PolarHBondContact N-O 3Å; A566-H631 PolarHBondContact O-N 3.24Å; A566-H631 PolarHBondContact O-ND1 2.99Å; A566-R633 HydrophobicContact CB-CB 4.12Å; A566-R633 HydrophobicContact CB-CG 4.4Å; A566-T636 HydrophobicContact CB-CG2 4.4Å; A566-T636 WeakPolarHBondContact CB-OG1 3.03Å
567S95.2Very high94.9Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-138.3145.9175.5-173.90000109.8L470 S471 M629 Y630L470-S567 CarbonylContact C-O 3.58Å; L470-S567 VanDerWaalsContact C-O 3.22Å; L470-S567 WeakPolarHBondContact CA-O 3.33Å; L470-S567 PolarHBondContact N-O 3.42Å; S471-S567 PolarHBondContact N-O 3.13Å; S471-S567 PolarHBondContact OG-O 3.23Å; S567-M629 WeakPolarHBondContact CA-O 3.47Å; S567-Y630 WeakPolarHBondContact OG-CE1 3.39Å
568M95.1Very high94.9Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-141.8146.2168.760.7-179.965.300109.1V467 I468 M629 T636 I639V467-M568 HydrophobicContact CG1-CB 4.25Å; V467-M568 HydrophobicContact CG1-SD 4.43Å; I468-M568 CarbonylContact O-C 3.42Å; I468-M568 VanDerWaalsContact O-CA 3.24Å; I468-M568 WeakPolarHBondContact O-CA 3.47Å; I468-M568 WeakPolarHBondContact O-CB 3.22Å; M568-M629 HydrophobicContact CG-CB 4.1Å; M568-M629 HydrophobicContact CG-CE 3.66Å; M568-M629 PolarHBondContact N-O 2.89Å; M568-M629 PolarHBondContact O-N 2.94Å; M568-M629 HydrophobicContact SD-CE 3.88Å; M568-T636 HydrophobicContact CE-CG2 3.46Å; M568-T636 VanDerWaalsContact CE-CG2 3.46Å; M568-I639 HydrophobicContact CE-CB 4.49Å; M568-I639 HydrophobicContact CE-CG2 4.27Å; M568-I639 HydrophobicContact SD-CG2 3.73Å
569S94.8Very high94.9Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-103.8130.1177-176.20000109.4V467 I468 E622 Y627V467-S569 CarbonylContact C-O 3.52Å; V467-S569 VanDerWaalsContact CA-O 3.26Å; V467-S569 WeakPolarHBondContact CA-O 3.41Å; I468-S569 PolarHBondContact N-O 2.83Å; I468-S569 PolarHBondContact O-N 2.93Å; S569-E622 VanDerWaalsContact CB-OE1 3.29Å; S569-E622 WeakPolarHBondContact CB-OE1 3.1Å; S569-E622 PolarHBondContact OG-OE1 2.97Å; S569-Y627 WeakPolarHBondContact CA-O 3.5Å
570L95.5Very high94.9Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-100.8107.5166.4173.764.1000107.6V467 S575 V578 L579 G626 Y627 M629 V643 I652V467-L570 HydrophobicContact CG2-CD1 4.37Å; L570-S575 WeakPolarHBondContact CD2-O 3.27Å; L570-S575 WeakPolarHBondContact O-CB 3.07Å; L570-V578 HydrophobicContact CD1-CB 4.5Å; L570-V578 HydrophobicContact CD1-CG1 4.35Å; L570-V578 HydrophobicContact CD2-CB 3.97Å; L570-V578 HydrophobicContact CD2-CG1 3.89Å; L570-L579 HydrophobicContact CD2-CB 4.24Å; L570-G626 WeakPolarHBondContact O-CA 3.49Å; L570-Y627 PolarHBondContact N-O 2.86Å; L570-Y627 PolarHBondContact O-N 3.46Å; L570-M629 HydrophobicContact CB-CE 3.92Å; L570-V643 HydrophobicContact CD1-CG1 4.05Å; L570-I652 HydrophobicContact CD1-CD1 3.78Å
571V94.3Very high94.9Very high0 Ų032.7 Ų32.70%016%0.159CC..EExtended strand (participates in β ladder)trans-120.5149.6-168.365.20000112.4C465 G466 I468 E622 E624 L625 I655C465-V571 CarbonylContact C-O 3.22Å; C465-V571 WeakPolarHBondContact CA-O 3.43Å; C465-V571 VanDerWaalsContact CB-O 3.3Å; C465-V571 WeakPolarHBondContact CB-O 3.41Å; G466-V571 PolarHBondContact N-O 3.47Å; G466-V571 PolarHBondContact O-N 2.92Å; I468-V571 HydrophobicContact CD1-CB 4.49Å; I468-V571 HydrophobicContact CD1-CG1 3.73Å; I468-V571 HydrophobicContact CG1-CG1 4.25Å; V571-E622 HydrophobicContact CB-CG 4.36Å; V571-E622 HydrophobicContact CG2-CB 3.62Å; V571-E622 HydrophobicContact CG2-CG 3.92Å; V571-E624 HydrophobicContact CG2-CB 3.67Å; V571-L625 CarbonylContact C-O 3.55Å; V571-L625 WeakPolarHBondContact CA-O 3.46Å; V571-I655 HydrophobicContact CG1-CD1 3.57Å
572G93.2Very high94.9Very high0 Ų032.8 Ų32.80%016%0.159CC..SBendtrans117.7168.4171.200000113.6A461 A464 L574 S575 L625A461-G572 WeakPolarHBondContact O-CA 3.34Å; A464-G572 CarbonylContact O-C 3.4Å; G572-L574 PolarHBondContact O-N 2.85Å; G572-L574 VanDerWaalsContact O-N 3.08Å; G572-S575 WeakPolarHBondContact O-CB 3.43Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 PolarHBondContact O-OG 2.58Å; G572-L625 PolarHBondContact N-O 2.87Å
573P92.5Very high94.9Very high54 Ų5433.5 Ų33.535%0.35116%0.164SC..THydrogen-bonded Turntrans-58.2-25.5-174.722.2-34.7000114.2A461 A464A461-P573 WeakPolarHBondContact O-CD 3.48Å; A464-P573 WeakPolarHBondContact O-CD 3.41Å; A464-P573 WeakPolarHBondContact O-CG 3.36Å
574L95.4Very high95Very high54 Ų5440 Ų4028%0.28319%0.191SC..THydrogen-bonded Turntrans-961178.6-56.1179.7000113.8A464 C465 G572 R576 N577 V578 Y650A464-L574 HydrophobicContact CB-CD1 4.42Å; A464-L574 WeakPolarHBondContact O-CB 3.48Å; A464-L574 PolarHBondContact O-N 3.15Å; C465-L574 HydrophobicContact CB-CB 4.19Å; G572-L574 PolarHBondContact O-N 2.85Å; G572-L574 VanDerWaalsContact O-N 3.08Å; L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 3.49Å; L574-N577 WeakPolarHBondContact O-CB 3.26Å; L574-N577 PolarHBondContact O-N 2.55Å; L574-N577 VanDerWaalsContact O-N 3.11Å; L574-V578 PolarHBondContact O-N 3.24Å; L574-Y650 HydrophobicContact CB-CD1 4.44Å; L574-Y650 HydrophobicContact CB-CG 4.49Å; L574-Y650 HydrophobicContact CD1-CD1 4.22Å
575S94.4Very high94.9Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-56.5-42.6-178.957.10000112.6L570 G572 N577 V578 L579 L625L570-S575 WeakPolarHBondContact CD2-O 3.27Å; L570-S575 WeakPolarHBondContact O-CB 3.07Å; G572-S575 WeakPolarHBondContact O-CB 3.43Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 PolarHBondContact O-OG 2.58Å; S575-N577 VanDerWaalsContact C-N 3.34Å; S575-N577 PolarHBondContact O-N 3.18Å; S575-V578 WeakPolarHBondContact O-CB 3.36Å; S575-V578 PolarHBondContact O-N 2.87Å; S575-L579 PolarHBondContact O-N 3.4Å; S575-L625 WeakPolarHBondContact OG-CG 3.34Å; S575-L625 PolarHBondContact OG-O 3.05Å
576R94.2Very high94.8Very high61 Ų6137.7 Ų37.723%0.2319%0.192CC..Hα-helixtrans-63.5-37.9177.3-175.5176-63.8147.5-3.9112.6L574 V578 L579 S580 V587 E589 H611 L625 Y627L574-R576 VanDerWaalsContact C-N 3.32Å; L574-R576 PolarHBondContact O-N 3.49Å; R576-V578 VanDerWaalsContact C-N 3.31Å; R576-V578 PolarHBondContact O-N 2.82Å; R576-L579 PolarHBondContact O-N 3.23Å; R576-S580 WeakPolarHBondContact O-CB 3.18Å; R576-S580 PolarHBondContact O-N 3.47Å; R576-S580 PolarHBondContact O-OG 3.45Å; R576-V587 VanDerWaalsContact CD-O 3.29Å; R576-V587 WeakPolarHBondContact CD-O 3.41Å; R576-V587 HydrophobicContact CG-CG2 4.27Å; R576-V587 WeakPolarHBondContact CG-O 3.48Å; R576-V587 PolarHBondContact NE-O 2.8Å; R576-E589 IonicContact CZ-OE2 3.88Å; R576-E589 IonicContact NH1-OE2 2.78Å; R576-E589 IonicContact NH2-OE2 3.48Å; R576-E589 PolarHBondContact NH2-OE2 2.78Å; R576-H611 PolarHBondContact NH2-CE1 2.9Å; R576-H611 PolarHBondContact NH2-NE2 2.87Å; R576-L625 HydrophobicContact CB-CD2 4.03Å; R576-Y627 HydrophobicContact CB-CE2 4.04Å; R576-Y627 PolarHBondContact NE-OH 2.99Å; R576-Y627 PolarHBondContact NH2-OH 2.96Å
577N95.8Very high94.7Very high68 Ų6838 Ų3836%0.36419%0.194SC..Hα-helixtrans-61.3-43.8175.5-64.586.3000110.6L574 S575 S580 R581 Y650L574-N577 WeakPolarHBondContact O-CB 3.26Å; L574-N577 PolarHBondContact O-N 2.55Å; L574-N577 VanDerWaalsContact O-N 3.11Å; S575-N577 VanDerWaalsContact C-N 3.34Å; S575-N577 PolarHBondContact O-N 3.18Å; N577-S580 PolarHBondContact O-OG 3.45Å; N577-R581 WeakPolarHBondContact O-CG 3.49Å; N577-Y650 HydrophobicContact CB-CD1 4.26Å; N577-Y650 HydrophobicContact CB-CE1 3.72Å; N577-Y650 HydrophobicContact CB-CE2 4.09Å
578V96.4Very high94.6Very high0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-63-51.7174.8178.70000110.8L570 L574 S575 R576 S580 R581 L582 V643 Y650L570-V578 HydrophobicContact CD1-CB 4.5Å; L570-V578 HydrophobicContact CD1-CG1 4.35Å; L570-V578 HydrophobicContact CD2-CB 3.97Å; L570-V578 HydrophobicContact CD2-CG1 3.89Å; L574-V578 PolarHBondContact O-N 3.24Å; S575-V578 WeakPolarHBondContact O-CB 3.36Å; S575-V578 PolarHBondContact O-N 2.87Å; R576-V578 VanDerWaalsContact C-N 3.31Å; R576-V578 PolarHBondContact O-N 2.82Å; V578-S580 VanDerWaalsContact C-N 3.3Å; V578-S580 PolarHBondContact O-N 2.62Å; V578-R581 WeakPolarHBondContact O-CB 3.2Å; V578-R581 PolarHBondContact O-N 2.68Å; V578-L582 HydrophobicContact CG1-CD1 4.04Å; V578-L582 PolarHBondContact O-N 2.92Å; V578-V643 HydrophobicContact CG1-CG1 4.38Å; V578-Y650 HydrophobicContact CG2-CD2 3.53Å; V578-Y650 HydrophobicContact CG2-CE2 4.17Å; V578-Y650 HydrophobicContact CG2-CG 4.19Å
579L95.5Very high94.2Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-58.8-39.9-178.3-175.662000112.5L570 S575 R576 R581 L582 T583 V587 F592 I602 V609 Y627L570-L579 HydrophobicContact CD2-CB 4.24Å; S575-L579 PolarHBondContact O-N 3.4Å; R576-L579 PolarHBondContact O-N 3.23Å; L579-R581 PolarHBondContact O-N 3.36Å; L579-R581 VanDerWaalsContact O-N 3.15Å; L579-L582 PolarHBondContact O-N 3.08Å; L579-T583 WeakPolarHBondContact O-CG2 3.25Å; L579-T583 PolarHBondContact O-N 3.25Å; L579-V587 HydrophobicContact CD2-CB 4.21Å; L579-V587 HydrophobicContact CD2-CG1 3.89Å; L579-V587 HydrophobicContact CG-CG1 4.11Å; L579-V587 HydrophobicContact CG-CG2 4.4Å; L579-F592 HydrophobicContact CD2-CE1 4.49Å; L579-I602 HydrophobicContact CD1-CD1 3.91Å; L579-V609 HydrophobicContact CD2-CG1 4.31Å; L579-Y627 HydrophobicContact CD2-CD1 3.54Å; L579-Y627 HydrophobicContact CD2-CD2 3.74Å; L579-Y627 HydrophobicContact CD2-CE1 3.73Å; L579-Y627 HydrophobicContact CD2-CE2 3.94Å; L579-Y627 HydrophobicContact CD2-CG 3.53Å
580S95.5Very high94.1Very high57 Ų5753.7 Ų53.740%0.39927%0.272SS..Hα-helixtrans-60.7-22.817875.60000114R576 N577 V578R576-S580 WeakPolarHBondContact O-CB 3.18Å; R576-S580 PolarHBondContact O-N 3.47Å; R576-S580 PolarHBondContact O-OG 3.45Å; N577-S580 PolarHBondContact O-OG 3.45Å; V578-S580 VanDerWaalsContact C-N 3.3Å; V578-S580 PolarHBondContact O-N 2.62Å
581R95.4Very high94Very high141 Ų14157.7 Ų57.753%0.53229%0.293SS..Hα-helixtrans-85.5-23.3176.9-60.9-67.6-63.5-179.92.6112.5N577 V578 L579 E646N577-R581 WeakPolarHBondContact O-CG 3.49Å; V578-R581 WeakPolarHBondContact O-CB 3.2Å; V578-R581 PolarHBondContact O-N 2.68Å; L579-R581 PolarHBondContact O-N 3.36Å; L579-R581 VanDerWaalsContact O-N 3.15Å; R581-E646 HydrophobicContact CB-CB 4.39Å; R581-E646 HydrophobicContact CB-CG 4.27Å; R581-E646 IonicContact NE-OE2 2.67Å
582L95.5Very high93.9Very high16 Ų1657.7 Ų57.78%0.08429%0.293CS..Hα-helixtrans-88.7-15.8-174.8-65.7171.7000113.7V578 L579 I602 E642 V643 E646V578-L582 HydrophobicContact CG1-CD1 4.04Å; V578-L582 PolarHBondContact O-N 2.92Å; L579-L582 PolarHBondContact O-N 3.08Å; L582-I602 HydrophobicContact CB-CG2 4.25Å; L582-I602 HydrophobicContact CD1-CG2 4.36Å; L582-E642 HydrophobicContact CD2-CB 4.3Å; L582-E642 HydrophobicContact CD2-CG 3.66Å; L582-V643 HydrophobicContact CD1-CB 4.24Å; L582-V643 HydrophobicContact CD1-CG2 3.56Å; L582-E646 HydrophobicContact CD2-CB 4.05Å; L582-E646 HydrophobicContact CD2-CG 3.78Å; L582-E646 HydrophobicContact CG-CB 4.49Å
583T95.2Very high93.8Very high16 Ų1660.2 Ų60.210%0.09831%0.31CS..  trans-136.1153.2-175.2-1740000111.8L579 S585 V587 L600L579-T583 WeakPolarHBondContact O-CG2 3.25Å; L579-T583 PolarHBondContact O-N 3.25Å; T583-S585 PolarHBondContact OG1-N 2.74Å; T583-V587 HydrophobicContact CG2-CG1 3.92Å; T583-L600 HydrophobicContact CG2-CD1 4.11Å
584K92.9Very high93.6Very high218 Ų21859.8 Ų59.895%0.94830%0.303SS*.SBendtrans-85.7-18.4173.1-65.1-176.2179.7-1790112.8
585S93.2Very high93.3Very high56 Ų5658.5 Ų58.539%0.39230%0.296SS..SBendtrans-73.3147.5179.4-55.60000110.3T583 V587T583-S585 PolarHBondContact OG1-N 2.74Å; S585-V587 PolarHBondContact O-N 2.62Å
586S94.2Very high93.2Very high50 Ų5059.6 Ų59.635%0.3530%0.303SS..  trans-68.4135172.9-173.30000111.4T588 D591 K598S586-T588 PolarHBondContact OG-OG1 2.78Å; S586-D591 WeakPolarHBondContact CB-OD2 3.26Å; S586-D591 PolarHBondContact OG-OD2 3.28Å; S586-K598 PolarHBondContact O-NZ 3.05Å; S586-K598 VanDerWaalsContact O-NZ 3.15Å
587V93.6Very high93.1Very high6 Ų657 Ų574%0.03629%0.294CS..  trans-125.424.5177.5-61.60000111.1R576 L579 T583 S585 F592 L600R576-V587 VanDerWaalsContact CD-O 3.29Å; R576-V587 WeakPolarHBondContact CD-O 3.41Å; R576-V587 HydrophobicContact CG-CG2 4.27Å; R576-V587 WeakPolarHBondContact CG-O 3.48Å; R576-V587 PolarHBondContact NE-O 2.8Å; L579-V587 HydrophobicContact CD2-CB 4.21Å; L579-V587 HydrophobicContact CD2-CG1 3.89Å; L579-V587 HydrophobicContact CG-CG1 4.11Å; L579-V587 HydrophobicContact CG-CG2 4.4Å; T583-V587 HydrophobicContact CG2-CG1 3.92Å; S585-V587 PolarHBondContact O-N 2.62Å; V587-F592 HydrophobicContact CB-CD1 4.22Å; V587-F592 HydrophobicContact CG1-CD1 4.01Å; V587-L600 HydrophobicContact CG1-CD1 4.16Å
588T93Very high93Very high65 Ų6556.5 Ų56.540%0.39929%0.288SS..SBendtrans-62.7160.5167.760.40000109.8S586 E590 D591 F592S586-T588 PolarHBondContact OG-OG1 2.78Å; T588-E590 PolarHBondContact O-N 2.68Å; T588-D591 PolarHBondContact O-N 3.41Å; T588-D591 WeakPolarHBondContact OG1-CB 3.26Å; T588-D591 PolarHBondContact OG1-N 2.95Å; T588-D591 PolarHBondContact OG1-OD2 3.34Å; T588-F592 PolarHBondContact O-N 3.3Å
589E88.6Confident92.8Very high84 Ų8459.5 Ų59.539%0.39330%0.302SS..THydrogen-bonded Turntrans-59-37.8178.1-169.762-142.900112.2R576 F592 P593 H611R576-E589 IonicContact CZ-OE2 3.88Å; R576-E589 IonicContact NH1-OE2 2.78Å; R576-E589 IonicContact NH2-OE2 3.48Å; R576-E589 PolarHBondContact NH2-OE2 2.78Å; E589-F592 CarbonylContact O-C 3.55Å; E589-P593 VanDerWaalsContact O-CA 3.24Å; E589-P593 WeakPolarHBondContact O-CA 3.3Å; E589-H611 IonicContact OE1-CE1 3.6Å; E589-H611 IonicContact OE2-CE1 3.87Å
590E92Very high92.8Very high181 Ų18159.7 Ų59.785%0.84630%0.303SS*.THydrogen-bonded Turntrans-67.1-42.7178.7-65.7175.9-178.300112.1T588T588-E590 PolarHBondContact O-N 2.68Å
591D93.3Very high92.7Very high84 Ų8464.4 Ų64.445%0.44931%0.312SS..THydrogen-bonded Turntrans-82.2-30.2-177.1-70.4-48.3000112.5S586 T588 K598S586-D591 WeakPolarHBondContact CB-OD2 3.26Å; S586-D591 PolarHBondContact OG-OD2 3.28Å; T588-D591 PolarHBondContact O-N 3.41Å; T588-D591 WeakPolarHBondContact OG1-CB 3.26Å; T588-D591 PolarHBondContact OG1-N 2.95Å; T588-D591 PolarHBondContact OG1-OD2 3.34Å; D591-K598 VanDerWaalsContact C-NZ 3.35Å; D591-K598 WeakPolarHBondContact O-CE 3.39Å; D591-K598 PolarHBondContact O-NZ 3.48Å
592F92.6Very high92.7Very high0 Ų057.7 Ų57.70%029%0.287CS..SBendtrans-132.169.8-177.2-165.3-165.5000110.4L579 V587 T588 E589 T596 K598 V609 H611 Y627L579-F592 HydrophobicContact CD2-CE1 4.49Å; V587-F592 HydrophobicContact CB-CD1 4.22Å; V587-F592 HydrophobicContact CG1-CD1 4.01Å; T588-F592 PolarHBondContact O-N 3.3Å; E589-F592 CarbonylContact O-C 3.55Å; F592-T596 WeakPolarHBondContact CD2-OG1 3.23Å; F592-T596 WeakPolarHBondContact CE2-O 3.37Å; F592-T596 WeakPolarHBondContact CE2-OG1 3.19Å; F592-K598 HydrophobicContact CB-CD 4.3Å; F592-K598 HydrophobicContact CD1-CD 4.32Å; F592-K598 HydrophobicContact CD2-CD 3.82Å; F592-K598 HydrophobicContact CD2-CG 3.81Å; F592-K598 HydrophobicContact CE2-CB 4.11Å; F592-K598 HydrophobicContact CE2-CD 4.21Å; F592-K598 HydrophobicContact CE2-CG 3.77Å; F592-K598 HydrophobicContact CG-CD 3.9Å; F592-K598 HydrophobicContact CG-CG 4.37Å; F592-K598 HydrophobicContact CZ-CB 4.17Å; F592-K598 HydrophobicContact CZ-CG 4.28Å; F592-V609 HydrophobicContact CE1-CB 4.33Å; F592-V609 HydrophobicContact CE1-CG1 3.84Å; F592-V609 HydrophobicContact CZ-CB 4.22Å; F592-V609 HydrophobicContact CZ-CG1 4Å; F592-V609 WeakPolarHBondContact CZ-O 3.33Å; F592-H611 HydrophobicContact CD1-CB 4.26Å; F592-H611 HydrophobicContact CD2-CB 3.93Å; F592-H611 HydrophobicContact CE1-CB 4.01Å; F592-H611 HydrophobicContact CE2-CB 3.64Å; F592-H611 HydrophobicContact CG-CB 4.22Å; F592-H611 HydrophobicContact CZ-CB 3.68Å; F592-H611 PolarHBondContact O-CE1 2.82Å; F592-H611 PolarHBondContact O-ND1 3.36Å; F592-Y627 HydrophobicContact CD1-CD1 4.21Å; F592-Y627 AromaticContact CD1-CE1 3.66Å; F592-Y627 HydrophobicContact CD1-CE1 3.66Å; F592-Y627 AromaticContact CE1-CD1 3.65Å; F592-Y627 HydrophobicContact CE1-CD1 3.65Å; F592-Y627 AromaticContact CE1-CE1 3.59Å; F592-Y627 HydrophobicContact CE1-CE1 3.59Å; F592-Y627 HydrophobicContact CZ-CD1 4.33Å; F592-Y627 HydrophobicContact CZ-CE1 4.46Å
593P90.9Very high92.4Very high54 Ų5457.9 Ų57.935%0.35129%0.291SS..  trans-70.5165.2-173.427.9-33.6000112.3E589 T596 H611E589-P593 VanDerWaalsContact O-CA 3.24Å; E589-P593 WeakPolarHBondContact O-CA 3.3Å; P593-T596 HydrophobicContact CG-CG2 3.78Å; P593-T596 PolarHBondContact O-N 2.84Å; P593-T596 PolarHBondContact O-OG1 3.16Å; P593-H611 PolarHBondContact O-ND1 3.4Å
594H87.8Confident92.1Very high44 Ų4460.9 Ų60.920%0.20431%0.312CS..THydrogen-bonded Turntrans-53.7144176.5-178.1-132.8000113.2T596 H611 S613 T615H594-T596 VanDerWaalsContact C-N 3.31Å; H594-T596 PolarHBondContact O-N 2.89Å; H594-H611 PolarHBondContact N-ND1 3.28Å; H594-S613 PolarHBondContact CD2-N 2.78Å; H594-S613 PolarHBondContact CD2-O 3.3Å; H594-S613 PolarHBondContact CD2-OG 2.82Å; H594-S613 PolarHBondContact CE1-O 3.43Å; H594-S613 VanDerWaalsContact CE1-O 3.25Å; H594-S613 PolarHBondContact NE2-N 3.02Å; H594-S613 PolarHBondContact NE2-O 3.13Å; H594-T615 PolarHBondContact CE1-OG1 2.9Å; H594-T615 PolarHBondContact ND1-OG1 2.99Å
595M88.5Confident92.2Very high27 Ų2750.7 Ų50.713%0.13327%0.269CS..THydrogen-bonded Turntrans64.130.3-179.1-62.9-62.3-76.200114.5V501 Y503 H611 T612V501-M595 PolarHBondContact N-O 2.9Å; V501-M595 VanDerWaalsContact O-CE 3.26Å; V501-M595 WeakPolarHBondContact O-CE 3.5Å; Y503-M595 HydrophobicContact CD2-CE 3.48Å; Y503-M595 VanDerWaalsContact CD2-CE 3.48Å; Y503-M595 HydrophobicContact CD2-SD 4.21Å; Y503-M595 HydrophobicContact CE2-CE 3.85Å; Y503-M595 HydrophobicContact CE2-SD 4.03Å; M595-H611 PolarHBondContact N-O 3.39Å; M595-T612 HydrophobicContact SD-CG2 4.48Å
596T92.3Very high92.2Very high24 Ų2451.3 Ų51.315%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-116.5161.5172.863.70000111.9S499 F592 P593 H594 C610 H611S499-T596 CarbonylContact O-C 3.53Å; S499-T596 WeakPolarHBondContact O-CA 3.49Å; S499-T596 WeakPolarHBondContact O-CB 3.4Å; F592-T596 WeakPolarHBondContact CD2-OG1 3.23Å; F592-T596 WeakPolarHBondContact CE2-O 3.37Å; F592-T596 WeakPolarHBondContact CE2-OG1 3.19Å; P593-T596 HydrophobicContact CG-CG2 3.78Å; P593-T596 PolarHBondContact O-N 2.84Å; P593-T596 PolarHBondContact O-OG1 3.16Å; H594-T596 VanDerWaalsContact C-N 3.31Å; H594-T596 PolarHBondContact O-N 2.89Å; T596-C610 WeakPolarHBondContact O-CA 3.14Å; T596-H611 PolarHBondContact O-N 3.04Å
597S93.1Very high92.3Very high7 Ų749 Ų495%0.04926%0.255CS..EExtended strand (participates in β ladder)trans-122.6148.5172.869.50000111.3S499 V609S499-S597 PolarHBondContact O-N 3.21Å; S597-V609 CarbonylContact C-O 3.48Å; S597-V609 VanDerWaalsContact CA-O 3.24Å; S597-V609 WeakPolarHBondContact CA-O 3.24Å
598K93.3Very high92.3Very high57 Ų5750 Ų5025%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-137.6140.6173.1-72.5-171.5-180-173.20110.3S586 D591 F592 L600 V609S586-K598 PolarHBondContact O-NZ 3.05Å; S586-K598 VanDerWaalsContact O-NZ 3.15Å; D591-K598 VanDerWaalsContact C-NZ 3.35Å; D591-K598 WeakPolarHBondContact O-CE 3.39Å; D591-K598 PolarHBondContact O-NZ 3.48Å; F592-K598 HydrophobicContact CB-CD 4.3Å; F592-K598 HydrophobicContact CD1-CD 4.32Å; F592-K598 HydrophobicContact CD2-CD 3.82Å; F592-K598 HydrophobicContact CD2-CG 3.81Å; F592-K598 HydrophobicContact CE2-CB 4.11Å; F592-K598 HydrophobicContact CE2-CD 4.21Å; F592-K598 HydrophobicContact CE2-CG 3.77Å; F592-K598 HydrophobicContact CG-CD 3.9Å; F592-K598 HydrophobicContact CG-CG 4.37Å; F592-K598 HydrophobicContact CZ-CB 4.17Å; F592-K598 HydrophobicContact CZ-CG 4.28Å; K598-L600 HydrophobicContact CB-CD2 3.88Å; K598-L600 HydrophobicContact CB-CG 4.11Å; K598-L600 HydrophobicContact CD-CD2 4.34Å; K598-L600 PolarHBondContact O-N 2.88Å; K598-V609 PolarHBondContact N-O 3.12Å; K598-V609 PolarHBondContact O-N 2.91Å
599Q92.9Very high92.4Very high63 Ų6346.9 Ų46.929%0.29424%0.241SC..EExtended strand (participates in β ladder)trans-83.4109.7165.9-170.2172.1-5.700109.5A523 Q524 V607A523-Q599 HydrophobicContact CB-CB 4.32Å; Q524-Q599 VanDerWaalsContact CG-OE1 3.26Å; Q524-Q599 VanDerWaalsContact NE2-OE1 3.1Å; Q599-V607 CarbonylContact C-O 3.26Å; Q599-V607 WeakPolarHBondContact CA-O 3.19Å
600L94.4Very high92.7Very high4 Ų442.9 Ų42.92%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-109.6166.9-180-57.3-172000110.7T583 V587 K598 V607 V609T583-L600 HydrophobicContact CG2-CD1 4.11Å; V587-L600 HydrophobicContact CG1-CD1 4.16Å; K598-L600 HydrophobicContact CB-CD2 3.88Å; K598-L600 HydrophobicContact CB-CG 4.11Å; K598-L600 HydrophobicContact CD-CD2 4.34Å; K598-L600 PolarHBondContact O-N 2.88Å; L600-V607 PolarHBondContact N-O 2.89Å; L600-V607 PolarHBondContact O-N 2.89Å; L600-V609 HydrophobicContact CB-CG2 4.03Å; L600-V609 HydrophobicContact CD1-CB 4.09Å; L600-V609 HydrophobicContact CD1-CG1 4.5Å; L600-V609 HydrophobicContact CD1-CG2 3.85Å; L600-V609 HydrophobicContact CG-CB 4.33Å; L600-V609 HydrophobicContact CG-CG2 3.99Å
601R94.8Very high92.6Very high155 Ų15534.3 Ų34.359%0.58518%0.182SC*.EExtended strand (participates in β ladder)trans-109.2110.3167-65.4-171.97696-0.3109S604 V605R601-S604 PolarHBondContact NH2-O 3.17Å; R601-V605 CarbonylContact C-O 3.57Å; R601-V605 VanDerWaalsContact CA-O 3.26Å; R601-V605 WeakPolarHBondContact CA-O 3.14Å
602I94.4Very high91.7Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-111.8127.8176.4-61.6178.4000107.4L579 L582 S604 V605 V607 V609 M629 I639L579-I602 HydrophobicContact CD1-CD1 3.91Å; L582-I602 HydrophobicContact CB-CG2 4.25Å; L582-I602 HydrophobicContact CD1-CG2 4.36Å; I602-S604 PolarHBondContact O-N 3.23Å; I602-S604 VanDerWaalsContact O-N 3.08Å; I602-V605 PolarHBondContact N-O 3.08Å; I602-V605 WeakPolarHBondContact O-CA 3.43Å; I602-V605 WeakPolarHBondContact O-CB 3.29Å; I602-V605 PolarHBondContact O-N 3.15Å; I602-V607 HydrophobicContact CB-CG2 4.03Å; I602-V607 HydrophobicContact CD1-CB 4.35Å; I602-V607 HydrophobicContact CD1-CG1 4.33Å; I602-V607 HydrophobicContact CD1-CG2 4.46Å; I602-V607 HydrophobicContact CG1-CG2 4.41Å; I602-V609 HydrophobicContact CD1-CG2 3.96Å; I602-M629 HydrophobicContact CD1-CG 4.24Å; I602-M629 HydrophobicContact CD1-SD 3.43Å; I602-M629 WeakPolarHBondContact CD1-SD 3.27Å; I602-I639 HydrophobicContact CG2-CG2 4.04Å
603A89.3Confident90.3Very high20 Ų2030.9 Ų30.917%0.16516%0.164CC..THydrogen-bonded Turntrans51.631.4-17200000113.5V605 R638 E642A603-V605 PolarHBondContact O-N 3.28Å; A603-R638 HydrophobicContact CB-CG 3.97Å; A603-R638 PolarHBondContact O-NE 3.19Å; A603-R638 PolarHBondContact O-NH2 3.49Å; A603-E642 HydrophobicContact CB-CB 3.98Å; A603-E642 HydrophobicContact CB-CG 4.2Å
604S89.8Confident88.4Confident79 Ų7933.1 Ų33.155%0.55217%0.17SC*.THydrogen-bonded Turntrans6512-171.7-53.70000116R601 I602R601-S604 PolarHBondContact NH2-O 3.17Å; I602-S604 PolarHBondContact O-N 3.23Å; I602-S604 VanDerWaalsContact O-N 3.08Å
605V93.8Very high86.5Confident5 Ų534.8 Ų34.83%0.0318%0.184CC..EExtended strand (participates in β ladder)trans-97.3136.6174.1-179.50000109.1R601 I602 A603 V607 D635 I639R601-V605 CarbonylContact C-O 3.57Å; R601-V605 VanDerWaalsContact CA-O 3.26Å; R601-V605 WeakPolarHBondContact CA-O 3.14Å; I602-V605 PolarHBondContact N-O 3.08Å; I602-V605 WeakPolarHBondContact O-CA 3.43Å; I602-V605 WeakPolarHBondContact O-CB 3.29Å; I602-V605 PolarHBondContact O-N 3.15Å; A603-V605 PolarHBondContact O-N 3.28Å; V605-V607 HydrophobicContact CB-CG2 4.49Å; V605-V607 HydrophobicContact CG1-CG2 4.35Å; V605-V607 PolarHBondContact O-N 2.91Å; V605-D635 HydrophobicContact CB-CB 4.4Å; V605-D635 HydrophobicContact CG1-CB 3.65Å; V605-D635 WeakPolarHBondContact CG1-OD2 3.31Å; V605-D635 HydrophobicContact CG2-CB 3.96Å; V605-I639 HydrophobicContact CB-CD1 4.21Å; V605-I639 HydrophobicContact CB-CG1 4.35Å; V605-I639 HydrophobicContact CG1-CD1 4.01Å; V605-I639 HydrophobicContact CG2-CG1 4.46Å
606P93.9Very high84.4Confident69 Ų6940.4 Ų40.445%0.44821%0.21SC..EExtended strand (participates in β ladder)trans-68.2123.9170.528.7-33000110.5
607V95.5Very high82.1Confident0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-129.9132.5-178.4-177.50000109Q599 L600 I602 V605 V609 M629 Y630 H631 I639Q599-V607 CarbonylContact C-O 3.26Å; Q599-V607 WeakPolarHBondContact CA-O 3.19Å; L600-V607 PolarHBondContact N-O 2.89Å; L600-V607 PolarHBondContact O-N 2.89Å; I602-V607 HydrophobicContact CB-CG2 4.03Å; I602-V607 HydrophobicContact CD1-CB 4.35Å; I602-V607 HydrophobicContact CD1-CG1 4.33Å; I602-V607 HydrophobicContact CD1-CG2 4.46Å; I602-V607 HydrophobicContact CG1-CG2 4.41Å; V605-V607 HydrophobicContact CB-CG2 4.49Å; V605-V607 HydrophobicContact CG1-CG2 4.35Å; V605-V607 PolarHBondContact O-N 2.91Å; V607-V609 HydrophobicContact CB-CG2 4.27Å; V607-V609 HydrophobicContact CG1-CG2 3.82Å; V607-V609 PolarHBondContact O-N 3.4Å; V607-M629 HydrophobicContact CG1-CB 3.71Å; V607-M629 HydrophobicContact CG1-CG 4.27Å; V607-Y630 WeakPolarHBondContact CA-O 3.41Å; V607-Y630 WeakPolarHBondContact CG1-O 3.47Å; V607-H631 HydrophobicContact CG1-CB 4.45Å; V607-H631 HydrophobicContact CG2-CB 4.14Å; V607-I639 HydrophobicContact CG2-CD1 3.69Å; V607-I639 HydrophobicContact CG2-CG1 4.47Å
608I94.7Very high79.9Confident28 Ų2845.6 Ų45.614%0.14423%0.23CC..EExtended strand (participates in β ladder)trans-82.7113.6166.5-59.7167.5000106.4I520 Y630I520-I608 HydrophobicContact CG2-CG2 3.91Å; I608-Y630 PolarHBondContact N-O 3.29Å; I608-Y630 PolarHBondContact O-N 2.99Å
609V94.9Very high77.9Confident0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-104.1126.5178.9-173.40000108.3L579 F592 S597 K598 L600 I602 V607 Y627 E628 M629L579-V609 HydrophobicContact CD2-CG1 4.31Å; F592-V609 HydrophobicContact CE1-CB 4.33Å; F592-V609 HydrophobicContact CE1-CG1 3.84Å; F592-V609 HydrophobicContact CZ-CB 4.22Å; F592-V609 HydrophobicContact CZ-CG1 4Å; F592-V609 WeakPolarHBondContact CZ-O 3.33Å; S597-V609 CarbonylContact C-O 3.48Å; S597-V609 VanDerWaalsContact CA-O 3.24Å; S597-V609 WeakPolarHBondContact CA-O 3.24Å; K598-V609 PolarHBondContact N-O 3.12Å; K598-V609 PolarHBondContact O-N 2.91Å; L600-V609 HydrophobicContact CB-CG2 4.03Å; L600-V609 HydrophobicContact CD1-CB 4.09Å; L600-V609 HydrophobicContact CD1-CG1 4.5Å; L600-V609 HydrophobicContact CD1-CG2 3.85Å; L600-V609 HydrophobicContact CG-CB 4.33Å; L600-V609 HydrophobicContact CG-CG2 3.99Å; I602-V609 HydrophobicContact CD1-CG2 3.96Å; V607-V609 HydrophobicContact CB-CG2 4.27Å; V607-V609 HydrophobicContact CG1-CG2 3.82Å; V607-V609 PolarHBondContact O-N 3.4Å; V609-Y627 HydrophobicContact CG1-CD1 4.04Å; V609-Y627 HydrophobicContact CG1-CG 4.38Å; V609-E628 CarbonylContact C-O 3.47Å; V609-E628 VanDerWaalsContact CA-O 3.27Å; V609-E628 WeakPolarHBondContact CA-O 3.36Å; V609-M629 HydrophobicContact CG1-CG 4.39Å; V609-M629 HydrophobicContact CG2-CG 4.24Å
610C93.6Very high76.2Confident0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-107.2125174.7-63.10000108.9V501 T596 T612 Y627 E628 Y630V501-C610 HydrophobicContact CG2-CB 4.17Å; T596-C610 WeakPolarHBondContact O-CA 3.14Å; C610-T612 HydrophobicContact CB-CG2 3.92Å; C610-T612 PolarHBondContact O-N 2.85Å; C610-Y627 WeakPolarHBondContact O-CA 3.14Å; C610-E628 HydrophobicContact CB-CB 4.38Å; C610-E628 PolarHBondContact N-O 3.05Å; C610-E628 PolarHBondContact O-N 3.45Å; C610-Y630 HydrophobicContact CB-CE2 4.47Å
611H91.8Very high74.7Confident0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-88.9103.4173.5-178.3-150.2000109.2R576 E589 F592 P593 H594 M595 T596 S613 L625 G626 Y627R576-H611 PolarHBondContact NH2-CE1 2.9Å; R576-H611 PolarHBondContact NH2-NE2 2.87Å; E589-H611 IonicContact OE1-CE1 3.6Å; E589-H611 IonicContact OE2-CE1 3.87Å; F592-H611 HydrophobicContact CD1-CB 4.26Å; F592-H611 HydrophobicContact CD2-CB 3.93Å; F592-H611 HydrophobicContact CE1-CB 4.01Å; F592-H611 HydrophobicContact CE2-CB 3.64Å; F592-H611 HydrophobicContact CG-CB 4.22Å; F592-H611 HydrophobicContact CZ-CB 3.68Å; F592-H611 PolarHBondContact O-CE1 2.82Å; F592-H611 PolarHBondContact O-ND1 3.36Å; P593-H611 PolarHBondContact O-ND1 3.4Å; H594-H611 PolarHBondContact N-ND1 3.28Å; M595-H611 PolarHBondContact N-O 3.39Å; T596-H611 PolarHBondContact O-N 3.04Å; H611-S613 PolarHBondContact NE2-OG 2.84Å; H611-L625 WeakPolarHBondContact NE2-CD1 3.41Å; H611-G626 PolarHBondContact CD2-O 3.15Å; H611-Y627 HydrophobicContact CB-CD1 3.9Å; H611-Y627 HydrophobicContact CB-CE1 3.69Å; H611-Y627 AromaticContact CD2-CD1 3.82Å; H611-Y627 AromaticContact CD2-CE1 3.28Å; H611-Y627 WeakPolarHBondContact CD2-CE1 3.37Å; H611-Y627 AromaticContact CD2-CZ 3.6Å; H611-Y627 AromaticContact CG-CE1 3.51Å; H611-Y627 AromaticContact NE2-CZ 3.9Å
612T74.4Confident73.3Confident1 Ų136.5 Ų36.51%0.00620%0.196CC..  trans-130.575.6-169.552.40000108.9M595 C610 C620 G626M595-T612 HydrophobicContact SD-CG2 4.48Å; C610-T612 HydrophobicContact CB-CG2 3.92Å; C610-T612 PolarHBondContact O-N 2.85Å; T612-C620 WeakPolarHBondContact CB-SG 3.14Å; T612-C620 PolarHBondContact OG1-SG 3.01Å; T612-G626 PolarHBondContact N-O 3.34Å; T612-G626 VanDerWaalsContact N-O 3.16Å
613S61.5Low72.3Confident11 Ų1137 Ų378%0.07720%0.201CC..  trans-105.3136.3-171.562.40000115H594 H611 T615H594-S613 PolarHBondContact CD2-N 2.78Å; H594-S613 PolarHBondContact CD2-O 3.3Å; H594-S613 PolarHBondContact CD2-OG 2.82Å; H594-S613 PolarHBondContact CE1-O 3.43Å; H594-S613 VanDerWaalsContact CE1-O 3.25Å; H594-S613 PolarHBondContact NE2-N 3.02Å; H594-S613 PolarHBondContact NE2-O 3.13Å; H611-S613 PolarHBondContact NE2-OG 2.84Å; S613-T615 PolarHBondContact O-N 3.41Å
614Q51.3Low72.1Confident102 Ų10236.9 Ų36.948%0.47720%0.197SC..SBendtrans44.633.1139.9-116.8-175.837.200121.8G623 E624Q614-G623 WeakPolarHBondContact CG-O 3.29Å; Q614-E624 PolarHBondContact N-O 3.12Å; Q614-E624 PolarHBondContact NE2-OE2 3.21Å
615T47.7Very low72.1Confident78 Ų7834 Ų3448%0.47918%0.176SC..SBendtrans-144.5156.6168.556.80000112.5H594 S613 K617 S618H594-T615 PolarHBondContact CE1-OG1 2.9Å; H594-T615 PolarHBondContact ND1-OG1 2.99Å; S613-T615 PolarHBondContact O-N 3.41Å; T615-K617 PolarHBondContact O-N 3.45Å; T615-S618 PolarHBondContact O-N 2.94Å
616E45.4Very low72Confident145 Ų14533.8 Ų33.868%0.67818%0.175SC*.THydrogen-bonded Turntrans-36.2-21.3169-82.5174.9-170.600116L692E616-L692 HydrophobicContact CB-CB 4.4Å; E616-L692 HydrophobicContact CB-CD2 3.4Å; E616-L692 VanDerWaalsContact CB-CD2 3.4Å; E616-L692 HydrophobicContact CB-CG 4.35Å; E616-L692 HydrophobicContact CG-CD2 3.46Å; E616-L692 VanDerWaalsContact CG-CD2 3.46Å; E616-L692 WeakPolarHBondContact O-CD1 3.45Å; E616-L692 WeakPolarHBondContact OE2-CD2 3.39Å
617K43.2Very low72Confident132 Ų13230.5 Ų30.557%0.57415%0.153SC*.THydrogen-bonded Turntrans-96.3-6.3-175.5-62.3-173.9177.3-173.60115.1T615 L692T615-K617 PolarHBondContact O-N 3.45Å; K617-L692 WeakPolarHBondContact CE-O 3Å; K617-L692 PolarHBondContact NZ-O 3.16Å
618S47.9Very low71.9Confident8 Ų830.5 Ų30.56%0.05615%0.153CC..  trans-107.2131.2178.4-177.30000110.7Y503 T615 C620Y503-S618 WeakPolarHBondContact CE2-OG 3.46Å; T615-S618 PolarHBondContact O-N 2.94Å; S618-C620 PolarHBondContact O-N 3.4Å; S618-C620 WeakPolarHBondContact OG-CB 3.09Å; S618-C620 PolarHBondContact OG-N 3.17Å
619L51.5Low72Confident48 Ų4829.2 Ų29.225%0.25115%0.147SC..  trans-85.119169-64.5170.4000112.1Y503 Q516 F621Y503-L619 HydrophobicContact CD1-CB 3.63Å; Y503-L619 HydrophobicContact CD1-CD1 3.79Å; Y503-L619 HydrophobicContact CD1-CG 4.08Å; Y503-L619 HydrophobicContact CD2-CB 4.21Å; Y503-L619 HydrophobicContact CE1-CB 3.7Å; Y503-L619 HydrophobicContact CE2-CB 4.31Å; Y503-L619 VanDerWaalsContact CE2-N 3.29Å; Y503-L619 HydrophobicContact CG-CB 3.89Å; Y503-L619 HydrophobicContact CG-CD1 3.92Å; Y503-L619 HydrophobicContact CG-CG 4.01Å; Q516-L619 HydrophobicContact CB-CD1 4.48Å; Q516-L619 HydrophobicContact CG-CD1 4.49Å; L619-F621 PolarHBondContact O-N 3.32Å
620C55.8Low72Confident3 Ų329.5 Ų29.52%0.0215%0.148CC..  trans-65.3131.6173.4-82.60000111.5Y503 T612 S618 E622 G623 E628 I669Y503-C620 PolarHBondContact OH-SG 3.37Å; T612-C620 WeakPolarHBondContact CB-SG 3.14Å; T612-C620 PolarHBondContact OG1-SG 3.01Å; S618-C620 PolarHBondContact O-N 3.4Å; S618-C620 WeakPolarHBondContact OG-CB 3.09Å; S618-C620 PolarHBondContact OG-N 3.17Å; C620-E622 PolarHBondContact O-N 3.47Å; C620-G623 PolarHBondContact O-N 3.49Å; C620-E628 PolarHBondContact SG-OE1 2.87Å; C620-I669 WeakPolarHBondContact O-CD1 3.49Å
621F63.6Low72.1Confident34 Ų3429.8 Ų29.815%0.14915%0.149CC..THydrogen-bonded Turntrans-63.3-17.2-167.9-53.4-80.3000113.8L473 L619 W657 V660 R664 W671L473-F621 HydrophobicContact CD1-CE2 4.35Å; L473-F621 HydrophobicContact CD2-CE2 4.29Å; L473-F621 HydrophobicContact CD2-CZ 4.26Å; L619-F621 PolarHBondContact O-N 3.32Å; F621-W657 HydrophobicContact CD1-CZ3 4.3Å; F621-W657 HydrophobicContact CD2-CH2 4.21Å; F621-W657 HydrophobicContact CD2-CZ3 4.33Å; F621-W657 HydrophobicContact CE2-CH2 4.18Å; F621-W657 HydrophobicContact CG-CZ3 4.19Å; F621-W657 HydrophobicContact CZ-CH2 4.45Å; F621-V660 HydrophobicContact CB-CG1 3.33Å; F621-V660 HydrophobicContact CG-CG1 4.31Å; F621-R664 WeakPolarHBondContact O-CA 3.26Å; F621-R664 WeakPolarHBondContact O-CB 3.3Å; F621-R664 PolarHBondContact O-N 2.87Å; F621-W671 HydrophobicContact CD1-CE3 4.46Å; F621-W671 HydrophobicContact CD1-CZ3 4.31Å; F621-W671 HydrophobicContact CE1-CH2 4.47Å; F621-W671 HydrophobicContact CE1-CZ2 4.44Å
622E65.8Low72.3Confident3 Ų333.8 Ų33.81%0.01417%0.171CC..THydrogen-bonded Turntrans-100.4-28.1-169.2-4790.8152.500113I468 S569 V571 C620 E624 L663I468-E622 HydrophobicContact CD1-CG 3.39Å; I468-E622 WeakPolarHBondContact CD1-OE1 3.25Å; S569-E622 VanDerWaalsContact CB-OE1 3.29Å; S569-E622 WeakPolarHBondContact CB-OE1 3.1Å; S569-E622 PolarHBondContact OG-OE1 2.97Å; V571-E622 HydrophobicContact CB-CG 4.36Å; V571-E622 HydrophobicContact CG2-CB 3.62Å; V571-E622 HydrophobicContact CG2-CG 3.92Å; C620-E622 PolarHBondContact O-N 3.47Å; E622-E624 PolarHBondContact O-N 2.86Å; E622-E624 VanDerWaalsContact O-N 3.09Å; E622-L663 HydrophobicContact CB-CD1 4.42Å
623G73.4Confident73.4Confident10 Ų1036.5 Ų36.510%0.10318%0.181CC..  trans53.626.9-175.700000114.9Q614 C620 K667Q614-G623 WeakPolarHBondContact CG-O 3.29Å; C620-G623 PolarHBondContact O-N 3.49Å; G623-K667 VanDerWaalsContact O-CE 3.23Å; G623-K667 WeakPolarHBondContact O-CE 3.4Å; G623-K667 PolarHBondContact O-NZ 2.75Å
624E85.2Confident75Confident18 Ų1840.2 Ų40.28%0.08421%0.212CC..SBendtrans-112.7173.2171.8-69.2-55.613300109.8T462 V571 Q614 E622 G626 L663 K667T462-E624 HydrophobicContact CG2-CG 4.49Å; V571-E624 HydrophobicContact CG2-CB 3.67Å; Q614-E624 PolarHBondContact N-O 3.12Å; Q614-E624 PolarHBondContact NE2-OE2 3.21Å; E622-E624 PolarHBondContact O-N 2.86Å; E622-E624 VanDerWaalsContact O-N 3.09Å; E624-G626 PolarHBondContact O-N 2.92Å; E624-L663 HydrophobicContact CG-CD2 4.49Å; E624-K667 IonicContact OE1-NZ 2.97Å; E624-K667 PolarHBondContact OE1-NZ 3.22Å
625L90Very high77.2Confident19 Ų1937.6 Ų37.610%0.09920%0.201CC..SBendtrans-61.7121.7169.4173.362.6000108.9V571 G572 S575 R576 H611 Y627V571-L625 CarbonylContact C-O 3.55Å; V571-L625 WeakPolarHBondContact CA-O 3.46Å; G572-L625 PolarHBondContact N-O 2.87Å; S575-L625 WeakPolarHBondContact OG-CG 3.34Å; S575-L625 PolarHBondContact OG-O 3.05Å; R576-L625 HydrophobicContact CB-CD2 4.03Å; H611-L625 WeakPolarHBondContact NE2-CD1 3.41Å; L625-Y627 HydrophobicContact CD1-CE2 4.36Å
626G91.1Very high79.5Confident1 Ų133.9 Ų33.91%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-151.9151.2-171.700000114.4L570 H611 T612 E624L570-G626 WeakPolarHBondContact O-CA 3.49Å; H611-G626 PolarHBondContact CD2-O 3.15Å; T612-G626 PolarHBondContact N-O 3.34Å; T612-G626 VanDerWaalsContact N-O 3.16Å; E624-G626 PolarHBondContact O-N 2.92Å
627Y93.7Very high82Confident0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-129.4116.5176.7-61.6-83.6000110.1S569 L570 R576 L579 F592 V609 C610 H611 L625S569-Y627 WeakPolarHBondContact CA-O 3.5Å; L570-Y627 PolarHBondContact N-O 2.86Å; L570-Y627 PolarHBondContact O-N 3.46Å; R576-Y627 HydrophobicContact CB-CE2 4.04Å; R576-Y627 PolarHBondContact NE-OH 2.99Å; R576-Y627 PolarHBondContact NH2-OH 2.96Å; L579-Y627 HydrophobicContact CD2-CD1 3.54Å; L579-Y627 HydrophobicContact CD2-CD2 3.74Å; L579-Y627 HydrophobicContact CD2-CE1 3.73Å; L579-Y627 HydrophobicContact CD2-CE2 3.94Å; L579-Y627 HydrophobicContact CD2-CG 3.53Å; F592-Y627 HydrophobicContact CD1-CD1 4.21Å; F592-Y627 AromaticContact CD1-CE1 3.66Å; F592-Y627 HydrophobicContact CD1-CE1 3.66Å; F592-Y627 AromaticContact CE1-CD1 3.65Å; F592-Y627 HydrophobicContact CE1-CD1 3.65Å; F592-Y627 AromaticContact CE1-CE1 3.59Å; F592-Y627 HydrophobicContact CE1-CE1 3.59Å; F592-Y627 HydrophobicContact CZ-CD1 4.33Å; F592-Y627 HydrophobicContact CZ-CE1 4.46Å; V609-Y627 HydrophobicContact CG1-CD1 4.04Å; V609-Y627 HydrophobicContact CG1-CG 4.38Å; C610-Y627 WeakPolarHBondContact O-CA 3.14Å; H611-Y627 HydrophobicContact CB-CD1 3.9Å; H611-Y627 HydrophobicContact CB-CE1 3.69Å; H611-Y627 AromaticContact CD2-CD1 3.82Å; H611-Y627 AromaticContact CD2-CE1 3.28Å; H611-Y627 WeakPolarHBondContact CD2-CE1 3.37Å; H611-Y627 AromaticContact CD2-CZ 3.6Å; H611-Y627 AromaticContact CG-CE1 3.51Å; H611-Y627 AromaticContact NE2-CZ 3.9Å; L625-Y627 HydrophobicContact CD1-CE2 4.36Å
628E94.2Very high84.6Confident0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-88.2133.8173.5-62.9175.5174.300110.1L470 K518 V609 C610 C620 Y630L470-E628 HydrophobicContact CD1-CG 4.16Å; K518-E628 WeakPolarHBondContact CE-OE2 3.36Å; K518-E628 IonicContact NZ-OE1 2.66Å; K518-E628 PolarHBondContact NZ-OE1 2.8Å; K518-E628 IonicContact NZ-OE2 3.43Å; K518-E628 PolarHBondContact NZ-OE2 3.42Å; V609-E628 CarbonylContact C-O 3.47Å; V609-E628 VanDerWaalsContact CA-O 3.27Å; V609-E628 WeakPolarHBondContact CA-O 3.36Å; C610-E628 HydrophobicContact CB-CB 4.38Å; C610-E628 PolarHBondContact N-O 3.05Å; C610-E628 PolarHBondContact O-N 3.45Å; C620-E628 PolarHBondContact SG-OE1 2.87Å; E628-Y630 HydrophobicContact CB-CE2 3.75Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.45Å; E628-Y630 PolarHBondContact OE2-OH 3.34Å
629M95.5Very high86.9Confident0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-119.6100.2-170.7-66.4-174.7-7100110.4S567 M568 L570 I602 V607 V609 H631 V643S567-M629 WeakPolarHBondContact CA-O 3.47Å; M568-M629 HydrophobicContact CG-CB 4.1Å; M568-M629 HydrophobicContact CG-CE 3.66Å; M568-M629 PolarHBondContact N-O 2.89Å; M568-M629 PolarHBondContact O-N 2.94Å; M568-M629 HydrophobicContact SD-CE 3.88Å; L570-M629 HydrophobicContact CB-CE 3.92Å; I602-M629 HydrophobicContact CD1-CG 4.24Å; I602-M629 HydrophobicContact CD1-SD 3.43Å; I602-M629 WeakPolarHBondContact CD1-SD 3.27Å; V607-M629 HydrophobicContact CG1-CB 3.71Å; V607-M629 HydrophobicContact CG1-CG 4.27Å; V609-M629 HydrophobicContact CG1-CG 4.39Å; V609-M629 HydrophobicContact CG2-CG 4.24Å; M629-H631 PolarHBondContact O-CE1 3.47Å; M629-H631 PolarHBondContact O-ND1 3.48Å; M629-V643 HydrophobicContact CE-CG2 3.96Å; M629-V643 HydrophobicContact SD-CG2 4.5Å
630Y95.6Very high89.1Confident6 Ų628 Ų282%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-91.9127.9178.6-59.6-90.9000111.2M475 K518 I520 L530 V532 A566 S567 V607 I608 C610 E628M475-Y630 HydrophobicContact SD-CD1 3.97Å; M475-Y630 HydrophobicContact SD-CE1 4.35Å; K518-Y630 WeakPolarHBondContact CE-OH 3.38Å; K518-Y630 PolarHBondContact NZ-OH 2.96Å; K518-Y630 VanDerWaalsContact NZ-OH 3.16Å; I520-Y630 HydrophobicContact CD1-CD2 3.95Å; I520-Y630 HydrophobicContact CD1-CE1 4.41Å; I520-Y630 HydrophobicContact CD1-CE2 3.55Å; L530-Y630 HydrophobicContact CD2-CD1 3.98Å; L530-Y630 HydrophobicContact CD2-CG 4.27Å; V532-Y630 HydrophobicContact CG1-CE1 4.17Å; V532-Y630 HydrophobicContact CG2-CD1 4.47Å; V532-Y630 HydrophobicContact CG2-CE1 3.64Å; A566-Y630 WeakPolarHBondContact O-CA 3.17Å; S567-Y630 WeakPolarHBondContact OG-CE1 3.39Å; V607-Y630 WeakPolarHBondContact CA-O 3.41Å; V607-Y630 WeakPolarHBondContact CG1-O 3.47Å; I608-Y630 PolarHBondContact N-O 3.29Å; I608-Y630 PolarHBondContact O-N 2.99Å; C610-Y630 HydrophobicContact CB-CE2 4.47Å; E628-Y630 HydrophobicContact CB-CE2 3.75Å; E628-Y630 WeakPolarHBondContact OE2-CE2 3.45Å; E628-Y630 PolarHBondContact OE2-OH 3.34Å
631H96.2Very high91.1Very high7 Ų733.2 Ų33.23%0.03217%0.171CC..EExtended strand (participates in β ladder)trans-155.7172.7-171.255.4-76.2000111.5L565 A566 V607 M629 T636 I639L565-H631 CarbonylContact C-O 3.58Å; L565-H631 WeakPolarHBondContact CA-O 3.42Å; A566-H631 PolarHBondContact N-O 3Å; A566-H631 PolarHBondContact O-N 3.24Å; A566-H631 PolarHBondContact O-ND1 2.99Å; V607-H631 HydrophobicContact CG1-CB 4.45Å; V607-H631 HydrophobicContact CG2-CB 4.14Å; M629-H631 PolarHBondContact O-CE1 3.47Å; M629-H631 PolarHBondContact O-ND1 3.48Å; H631-T636 PolarHBondContact CD2-OG1 3.1Å; H631-T636 VanDerWaalsContact NE2-CA 3.27Å; H631-T636 WeakPolarHBondContact NE2-CA 3.44Å; H631-T636 WeakPolarHBondContact NE2-CB 3.3Å; H631-T636 PolarHBondContact NE2-OG1 3.46Å; H631-I639 HydrophobicContact CB-CD1 3.68Å; H631-I639 VanDerWaalsContact CD2-CD1 3.42Å; H631-I639 WeakPolarHBondContact CD2-CD1 3.43Å; H631-I639 VanDerWaalsContact CG-CD1 3.43Å
632N96Very high92.7Very high84 Ų8434.3 Ų34.345%0.44918%0.177SC..EExtended strand (participates in β ladder)trans-67.7133.1172-173.4-40.9000109.8A634 D635N632-A634 PolarHBondContact O-N 2.81Å; N632-A634 VanDerWaalsContact O-N 3.07Å; N632-A634 WeakPolarHBondContact OD1-CB 3.38Å; N632-A634 PolarHBondContact OD1-N 2.89Å; N632-D635 PolarHBondContact O-N 3.37Å
633R95.9Very high94.2Very high58 Ų5834.2 Ų34.222%0.21918%0.176CC..G310 helixtrans-55.2-27.9-179.6-176.9176169.3-156.1-4.2113.7A418 V420 Q563 F564 A566 D635 T636A418-R633 PolarHBondContact O-NH2 3.11Å; V420-R633 PolarHBondContact O-NE 3.3Å; V420-R633 PolarHBondContact O-NH2 2.88Å; Q563-R633 WeakPolarHBondContact O-CD 2.97Å; Q563-R633 PolarHBondContact O-NH1 2.9Å; Q563-R633 VanDerWaalsContact O-NH1 3.11Å; F564-R633 WeakPolarHBondContact O-CB 3.42Å; F564-R633 PolarHBondContact O-N 3.31Å; A566-R633 HydrophobicContact CB-CB 4.12Å; A566-R633 HydrophobicContact CB-CG 4.4Å; R633-D635 PolarHBondContact O-N 3.48Å; R633-T636 WeakPolarHBondContact CA-OG1 3.49Å; R633-T636 PolarHBondContact O-N 3.06Å; R633-T636 PolarHBondContact O-OG1 3.04Å
634A95.7Very high95.4Very high88 Ų8835.2 Ų35.273%0.72718%0.178SC*.G310 helixtrans-66.9-23.7176.300000113.4N632N632-A634 PolarHBondContact O-N 2.81Å; N632-A634 VanDerWaalsContact O-N 3.07Å; N632-A634 WeakPolarHBondContact OD1-CB 3.38Å; N632-A634 PolarHBondContact OD1-N 2.89Å
635D97.2Very high95.9Very high47 Ų4739.8 Ų39.825%0.25120%0.198SC..G310 helixtrans-94.6-4.9-177.9-67.7-56.5000113.4V605 N632 R633 L637 R638 I639V605-D635 HydrophobicContact CB-CB 4.4Å; V605-D635 HydrophobicContact CG1-CB 3.65Å; V605-D635 WeakPolarHBondContact CG1-OD2 3.31Å; V605-D635 HydrophobicContact CG2-CB 3.96Å; N632-D635 PolarHBondContact O-N 3.37Å; R633-D635 PolarHBondContact O-N 3.48Å; D635-L637 PolarHBondContact O-N 3.01Å; D635-R638 PolarHBondContact O-N 2.96Å; D635-I639 HydrophobicContact CB-CD1 4.14Å; D635-I639 PolarHBondContact O-N 3.3Å
636T97.3Very high96.3Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-57.5-45.6-172.1-53.20000112.9I423 A566 M568 H631 R633 R638 I639 Y640I423-T636 HydrophobicContact CB-CG2 4.5Å; I423-T636 HydrophobicContact CG1-CG2 4.16Å; I423-T636 HydrophobicContact CG2-CG2 3.82Å; A566-T636 HydrophobicContact CB-CG2 4.4Å; A566-T636 WeakPolarHBondContact CB-OG1 3.03Å; M568-T636 HydrophobicContact CE-CG2 3.46Å; M568-T636 VanDerWaalsContact CE-CG2 3.46Å; H631-T636 PolarHBondContact CD2-OG1 3.1Å; H631-T636 VanDerWaalsContact NE2-CA 3.27Å; H631-T636 WeakPolarHBondContact NE2-CA 3.44Å; H631-T636 WeakPolarHBondContact NE2-CB 3.3Å; H631-T636 PolarHBondContact NE2-OG1 3.46Å; R633-T636 WeakPolarHBondContact CA-OG1 3.49Å; R633-T636 PolarHBondContact O-N 3.06Å; R633-T636 PolarHBondContact O-OG1 3.04Å; T636-R638 PolarHBondContact O-N 3.12Å; T636-I639 PolarHBondContact O-N 3.39Å; T636-Y640 VanDerWaalsContact O-CB 3.26Å; T636-Y640 WeakPolarHBondContact O-CB 3.34Å; T636-Y640 PolarHBondContact O-N 3.37Å
637L97.2Very high96.5Very high71 Ų7140.2 Ų40.237%0.37220%0.199SC..Hα-helixtrans-61.4-45.6179.6-178.460.8000111.7I423 A426 D635 I639 Y640 E641I423-L637 HydrophobicContact CG2-CB 4.41Å; I423-L637 HydrophobicContact CG2-CD1 4.15Å; A426-L637 HydrophobicContact CB-CD1 4.49Å; D635-L637 PolarHBondContact O-N 3.01Å; L637-I639 PolarHBondContact O-N 3.15Å; L637-Y640 PolarHBondContact O-N 2.87Å; L637-E641 HydrophobicContact CD1-CG 4.06Å; L637-E641 HydrophobicContact CG-CG 4.36Å; L637-E641 WeakPolarHBondContact O-CB 3.33Å; L637-E641 WeakPolarHBondContact O-CG 3.46Å; L637-E641 PolarHBondContact O-N 2.89Å
638R97Very high96.7Very high127 Ų12747.4 Ų47.448%0.47923%0.233SC..Hα-helixtrans-62.6-42.7-179.7179.7-178.5-179.6169.24.4112A603 D635 T636 E642A603-R638 HydrophobicContact CB-CG 3.97Å; A603-R638 PolarHBondContact O-NE 3.19Å; A603-R638 PolarHBondContact O-NH2 3.49Å; D635-R638 PolarHBondContact O-N 2.96Å; T636-R638 PolarHBondContact O-N 3.12Å; R638-E642 PolarHBondContact O-N 3.31Å
639I97.5Very high96.7Very high0 Ų054.2 Ų54.20%026%0.258CS..Hα-helixtrans-65.3-47.7177.2-69.4164.2000109.7M568 I602 V605 V607 H631 D635 T636 L637 E642 V643M568-I639 HydrophobicContact CE-CB 4.49Å; M568-I639 HydrophobicContact CE-CG2 4.27Å; M568-I639 HydrophobicContact SD-CG2 3.73Å; I602-I639 HydrophobicContact CG2-CG2 4.04Å; V605-I639 HydrophobicContact CB-CD1 4.21Å; V605-I639 HydrophobicContact CB-CG1 4.35Å; V605-I639 HydrophobicContact CG1-CD1 4.01Å; V605-I639 HydrophobicContact CG2-CG1 4.46Å; V607-I639 HydrophobicContact CG2-CD1 3.69Å; V607-I639 HydrophobicContact CG2-CG1 4.47Å; H631-I639 HydrophobicContact CB-CD1 3.68Å; H631-I639 VanDerWaalsContact CD2-CD1 3.42Å; H631-I639 WeakPolarHBondContact CD2-CD1 3.43Å; H631-I639 VanDerWaalsContact CG-CD1 3.43Å; D635-I639 HydrophobicContact CB-CD1 4.14Å; D635-I639 PolarHBondContact O-N 3.3Å; T636-I639 PolarHBondContact O-N 3.39Å; L637-I639 PolarHBondContact O-N 3.15Å; I639-E642 PolarHBondContact O-N 3.09Å; I639-V643 HydrophobicContact CG2-CG2 4.19Å; I639-V643 WeakPolarHBondContact O-CB 3.36Å; I639-V643 WeakPolarHBondContact O-CG2 3.37Å; I639-V643 PolarHBondContact O-N 3.27Å
640Y98Very high96.7Very high11 Ų1157 Ų574%0.04327%0.269CS..Hα-helixtrans-58.4-49.4179.3173-98.6000112.6I423 A426 N430 V467 T636 L637 E642 V643 M644 D654I423-Y640 HydrophobicContact CB-CD1 4.49Å; I423-Y640 HydrophobicContact CB-CG 4.37Å; I423-Y640 HydrophobicContact CD1-CD2 3.86Å; I423-Y640 HydrophobicContact CD1-CE2 4.24Å; I423-Y640 HydrophobicContact CD1-CG 4.29Å; I423-Y640 VanDerWaalsContact CG2-CB 3.45Å; I423-Y640 HydrophobicContact CG2-CD1 3.86Å; I423-Y640 HydrophobicContact CG2-CD2 4.28Å; I423-Y640 HydrophobicContact CG2-CG 3.61Å; A426-Y640 HydrophobicContact CB-CD1 4.5Å; A426-Y640 HydrophobicContact CB-CE1 3.95Å; N430-Y640 PolarHBondContact ND2-OH 3.25Å; V467-Y640 HydrophobicContact CG1-CD2 4.17Å; V467-Y640 HydrophobicContact CG1-CE2 4.34Å; T636-Y640 VanDerWaalsContact O-CB 3.26Å; T636-Y640 WeakPolarHBondContact O-CB 3.34Å; T636-Y640 PolarHBondContact O-N 3.37Å; L637-Y640 PolarHBondContact O-N 2.87Å; Y640-E642 VanDerWaalsContact C-N 3.32Å; Y640-E642 PolarHBondContact O-N 3.49Å; Y640-V643 PolarHBondContact O-N 3.23Å; Y640-M644 HydrophobicContact CD1-CG 4.26Å; Y640-M644 HydrophobicContact CD2-CG 4.03Å; Y640-M644 HydrophobicContact CE1-CG 3.91Å; Y640-M644 HydrophobicContact CE2-CG 3.67Å; Y640-M644 HydrophobicContact CE2-SD 4.06Å; Y640-M644 HydrophobicContact CG-CG 4.31Å; Y640-M644 WeakPolarHBondContact O-CB 3.22Å; Y640-M644 VanDerWaalsContact O-CG 3.25Å; Y640-M644 WeakPolarHBondContact O-CG 3.28Å; Y640-M644 PolarHBondContact O-N 2.95Å; Y640-D654 VanDerWaalsContact CE2-OD1 3.26Å; Y640-D654 WeakPolarHBondContact CE2-OD1 3.45Å; Y640-D654 VanDerWaalsContact OH-CG 3.31Å; Y640-D654 PolarHBondContact OH-OD1 2.66Å; Y640-D654 PolarHBondContact OH-OD2 2.73Å
641E97.3Very high96.6Very high113 Ų11358.6 Ų58.653%0.52829%0.288SS..Hα-helixtrans-59.6-41.8179.6-74.2177.115600112L637 K645L637-E641 HydrophobicContact CD1-CG 4.06Å; L637-E641 HydrophobicContact CG-CG 4.36Å; L637-E641 WeakPolarHBondContact O-CB 3.33Å; L637-E641 WeakPolarHBondContact O-CG 3.46Å; L637-E641 PolarHBondContact O-N 2.89Å; E641-K645 WeakPolarHBondContact O-CB 3.17Å; E641-K645 PolarHBondContact O-N 3.25Å
642E97.2Very high96.7Very high58 Ų5859.3 Ų59.327%0.27129%0.292SS..Hα-helixtrans-71.1-39.5179.5-164.665.5-166.500111.7L582 A603 R638 I639 Y640 K645 E646L582-E642 HydrophobicContact CD2-CB 4.3Å; L582-E642 HydrophobicContact CD2-CG 3.66Å; A603-E642 HydrophobicContact CB-CB 3.98Å; A603-E642 HydrophobicContact CB-CG 4.2Å; R638-E642 PolarHBondContact O-N 3.31Å; I639-E642 PolarHBondContact O-N 3.09Å; Y640-E642 VanDerWaalsContact C-N 3.32Å; Y640-E642 PolarHBondContact O-N 3.49Å; E642-K645 PolarHBondContact O-N 2.92Å; E642-K645 IonicContact OE1-NZ 3.1Å; E642-K645 IonicContact OE2-NZ 3.78Å; E642-K645 PolarHBondContact OE2-NZ 3.33Å; E642-E646 PolarHBondContact O-N 3.15Å
643V97.3Very high96.8Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-60.1-50.3173.3170.90000110.5V467 L570 V578 L582 M629 I639 Y640 K645 E646 G647 I652V467-V643 HydrophobicContact CG2-CG1 3.7Å; L570-V643 HydrophobicContact CD1-CG1 4.05Å; V578-V643 HydrophobicContact CG1-CG1 4.38Å; L582-V643 HydrophobicContact CD1-CB 4.24Å; L582-V643 HydrophobicContact CD1-CG2 3.56Å; M629-V643 HydrophobicContact CE-CG2 3.96Å; M629-V643 HydrophobicContact SD-CG2 4.5Å; I639-V643 HydrophobicContact CG2-CG2 4.19Å; I639-V643 WeakPolarHBondContact O-CB 3.36Å; I639-V643 WeakPolarHBondContact O-CG2 3.37Å; I639-V643 PolarHBondContact O-N 3.27Å; Y640-V643 PolarHBondContact O-N 3.23Å; V643-K645 PolarHBondContact O-N 3.12Å; V643-E646 PolarHBondContact O-N 3.16Å; V643-G647 PolarHBondContact O-N 3.2Å; V643-I652 HydrophobicContact CG1-CD1 3.83Å
644M97.7Very high96.9Very high32 Ų3254 Ų5416%0.15827%0.271CS..Hα-helixtrans-61.4-45.4179.7-71.2-61.6-78.800111.1V467 Y640 G647 Q648 I652V467-M644 HydrophobicContact CG2-SD 3.92Å; Y640-M644 HydrophobicContact CD1-CG 4.26Å; Y640-M644 HydrophobicContact CD2-CG 4.03Å; Y640-M644 HydrophobicContact CE1-CG 3.91Å; Y640-M644 HydrophobicContact CE2-CG 3.67Å; Y640-M644 HydrophobicContact CE2-SD 4.06Å; Y640-M644 HydrophobicContact CG-CG 4.31Å; Y640-M644 WeakPolarHBondContact O-CB 3.22Å; Y640-M644 VanDerWaalsContact O-CG 3.25Å; Y640-M644 WeakPolarHBondContact O-CG 3.28Å; Y640-M644 PolarHBondContact O-N 2.95Å; M644-G647 PolarHBondContact O-N 3.22Å; M644-Q648 VanDerWaalsContact O-CG 3.27Å; M644-Q648 WeakPolarHBondContact O-CG 3.41Å; M644-Q648 PolarHBondContact O-N 3.21Å; M644-I652 HydrophobicContact CE-CG2 4.37Å; M644-I652 WeakPolarHBondContact O-CG2 3.49Å; M644-I652 HydrophobicContact SD-CD1 4.19Å; M644-I652 HydrophobicContact SD-CG1 4.13Å; M644-I652 HydrophobicContact SD-CG2 4.03Å
645K97.3Very high96.9Very high114 Ų11449.9 Ų49.950%0.49624%0.237SC..Hα-helixtrans-59.7-50.9178176.5-174164.3-154.50112.8E641 E642 V643 G647 Q648E641-K645 WeakPolarHBondContact O-CB 3.17Å; E641-K645 PolarHBondContact O-N 3.25Å; E642-K645 PolarHBondContact O-N 2.92Å; E642-K645 IonicContact OE1-NZ 3.1Å; E642-K645 IonicContact OE2-NZ 3.78Å; E642-K645 PolarHBondContact OE2-NZ 3.33Å; V643-K645 PolarHBondContact O-N 3.12Å; K645-G647 VanDerWaalsContact C-N 3.27Å; K645-G647 PolarHBondContact O-N 3.48Å; K645-Q648 PolarHBondContact O-N 3.49Å
646E96.6Very high96.9Very high28 Ų2847.6 Ų47.613%0.13123%0.225CC..Hα-helixtrans-68.2-31.2178.6-74.9-60.1141.100112.1R581 L582 E642 V643 R649R581-E646 HydrophobicContact CB-CB 4.39Å; R581-E646 HydrophobicContact CB-CG 4.27Å; R581-E646 IonicContact NE-OE2 2.67Å; L582-E646 HydrophobicContact CD2-CB 4.05Å; L582-E646 HydrophobicContact CD2-CG 3.78Å; L582-E646 HydrophobicContact CG-CB 4.49Å; E642-E646 PolarHBondContact O-N 3.15Å; V643-E646 PolarHBondContact O-N 3.16Å; E646-R649 PolarHBondContact O-NE 3.16Å; E646-R649 IonicContact OE2-CZ 3.57Å; E646-R649 IonicContact OE2-NH2 3.48Å; E646-R649 PolarHBondContact OE2-NH2 2.96Å
647G97Very high96.7Very high0 Ų048.7 Ų48.70%023%0.229CC..Hα-helixtrans-74.5-16.917800000115.8V643 M644 K645 R649 Y650 G651 I652V643-G647 PolarHBondContact O-N 3.2Å; M644-G647 PolarHBondContact O-N 3.22Å; K645-G647 VanDerWaalsContact C-N 3.27Å; K645-G647 PolarHBondContact O-N 3.48Å; G647-R649 PolarHBondContact O-N 3.25Å; G647-R649 VanDerWaalsContact O-N 3.13Å; G647-Y650 CarbonylContact O-C 3.37Å; G647-Y650 WeakPolarHBondContact O-CA 3.02Å; G647-Y650 PolarHBondContact O-N 3.41Å; G647-G651 PolarHBondContact O-N 3.29Å; G647-I652 WeakPolarHBondContact O-CB 3.49Å; G647-I652 WeakPolarHBondContact O-CG2 2.79Å; G647-I652 PolarHBondContact O-N 3.19Å
648Q96.4Very high96.5Very high151 Ų15146.5 Ų46.571%0.70622%0.217SC*.G310 helixtrans-52.4-41-178-70.7-174.5-8.800112.6M644 K645 Y650 G651M644-Q648 VanDerWaalsContact O-CG 3.27Å; M644-Q648 WeakPolarHBondContact O-CG 3.41Å; M644-Q648 PolarHBondContact O-N 3.21Å; K645-Q648 PolarHBondContact O-N 3.49Å; Q648-Y650 PolarHBondContact O-N 3.37Å; Q648-G651 PolarHBondContact O-N 2.93Å; Q648-G651 VanDerWaalsContact O-N 3.16Å
649R94.7Very high96.4Very high143 Ų14340.4 Ų40.454%0.5419%0.194SC..G310 helixtrans-66.3-16.8179.676.1-177.389.5-154.11.9113.9E646 G647E646-R649 PolarHBondContact O-NE 3.16Å; E646-R649 IonicContact OE2-CZ 3.57Å; E646-R649 IonicContact OE2-NH2 3.48Å; E646-R649 PolarHBondContact OE2-NH2 2.96Å; G647-R649 PolarHBondContact O-N 3.25Å; G647-R649 VanDerWaalsContact O-N 3.13Å
650Y95.2Very high96.2Very high58 Ų5840.5 Ų40.523%0.22720%0.195CC..G310 helixtrans-107.28.9-179.5-58.1-71.7000112.2L574 N577 V578 G647 Q648L574-Y650 HydrophobicContact CB-CD1 4.44Å; L574-Y650 HydrophobicContact CB-CG 4.49Å; L574-Y650 HydrophobicContact CD1-CD1 4.22Å; N577-Y650 HydrophobicContact CB-CD1 4.26Å; N577-Y650 HydrophobicContact CB-CE1 3.72Å; N577-Y650 HydrophobicContact CB-CE2 4.09Å; V578-Y650 HydrophobicContact CG2-CD2 3.53Å; V578-Y650 HydrophobicContact CG2-CE2 4.17Å; V578-Y650 HydrophobicContact CG2-CG 4.19Å; G647-Y650 CarbonylContact O-C 3.37Å; G647-Y650 WeakPolarHBondContact O-CA 3.02Å; G647-Y650 PolarHBondContact O-N 3.41Å; Q648-Y650 PolarHBondContact O-N 3.37Å
651G94.9Very high95.8Very high41 Ų4142.5 Ų42.542%0.42321%0.206SC..THydrogen-bonded Turntrans70.531.5-179.700000113.7L460 G647 Q648L460-G651 WeakPolarHBondContact CD2-O 3.16Å; G647-G651 PolarHBondContact O-N 3.29Å; Q648-G651 PolarHBondContact O-N 2.93Å; Q648-G651 VanDerWaalsContact O-N 3.16Å
652I97.5Very high95.6Very high22 Ų2239.4 Ų39.411%0.11320%0.195CC..  trans-58.8146.4178.5-158.5167.8000111.8C465 V467 L570 V643 M644 G647C465-I652 WeakPolarHBondContact O-CA 3.24Å; V467-I652 HydrophobicContact CG2-CD1 3.81Å; V467-I652 HydrophobicContact CG2-CG1 4.29Å; L570-I652 HydrophobicContact CD1-CD1 3.78Å; V643-I652 HydrophobicContact CG1-CD1 3.83Å; M644-I652 HydrophobicContact CE-CG2 4.37Å; M644-I652 WeakPolarHBondContact O-CG2 3.49Å; M644-I652 HydrophobicContact SD-CD1 4.19Å; M644-I652 HydrophobicContact SD-CG1 4.13Å; M644-I652 HydrophobicContact SD-CG2 4.03Å; G647-I652 WeakPolarHBondContact O-CB 3.49Å; G647-I652 WeakPolarHBondContact O-CG2 2.79Å; G647-I652 PolarHBondContact O-N 3.19Å
653G97.3Very high95.3Very high13 Ų1336.7 Ų36.713%0.13418%0.182CC..EExtended strand (participates in β ladder)trans-153.4174.8171.200000111.8G466 V467G466-G653 CarbonylContact C-O 3.4Å; G466-G653 WeakPolarHBondContact CA-O 3.27Å; V467-G653 PolarHBondContact N-O 3.07Å
654D98Very high94.8Very high18 Ų1837.3 Ų37.310%0.09619%0.185CC..EExtended strand (participates in β ladder)trans-77.9147.4172.8-53.1-67.1000111N430 F446 Y640N430-D654 PolarHBondContact ND2-OD2 2.61Å; F446-D654 HydrophobicContact CD1-CB 3.91Å; F446-D654 HydrophobicContact CD2-CB 3.94Å; F446-D654 HydrophobicContact CE1-CB 3.53Å; F446-D654 HydrophobicContact CE2-CB 3.59Å; F446-D654 HydrophobicContact CG-CB 4.11Å; F446-D654 HydrophobicContact CZ-CB 3.38Å; Y640-D654 VanDerWaalsContact CE2-OD1 3.26Å; Y640-D654 WeakPolarHBondContact CE2-OD1 3.45Å; Y640-D654 VanDerWaalsContact OH-CG 3.31Å; Y640-D654 PolarHBondContact OH-OD1 2.66Å; Y640-D654 PolarHBondContact OH-OD2 2.73Å
655I97.3Very high94.4Very high0 Ų040.6 Ų40.60%020%0.201CC..  trans-126.8127.9177.2-65166.7000108E457 L460 A461 V467 I468 V571 A659 V660E457-I655 HydrophobicContact CB-CG1 4.49Å; E457-I655 HydrophobicContact CB-CG2 4.4Å; L460-I655 HydrophobicContact CB-CD1 4.29Å; L460-I655 HydrophobicContact CB-CG1 4.31Å; A461-I655 HydrophobicContact CB-CD1 3.91Å; V467-I655 PolarHBondContact O-N 3.31Å; I468-I655 HydrophobicContact CD1-CG2 4.19Å; I468-I655 HydrophobicContact CG1-CB 3.68Å; I468-I655 HydrophobicContact CG1-CG2 3.77Å; V571-I655 HydrophobicContact CG1-CD1 3.57Å; I655-A659 HydrophobicContact CG2-CB 3.99Å; I655-V660 HydrophobicContact CG2-CG2 4.19Å
656G96Very high94Very high0 Ų040.8 Ų40.80%020%0.203CC..  trans-92.9165.3178.800000113.3P443 T444 E457 D658 A659 V660P443-G656 CarbonylContact O-C 3.57Å; P443-G656 VanDerWaalsContact O-CA 3.31Å; P443-G656 WeakPolarHBondContact O-CA 3.35Å; T444-G656 CarbonylContact O-C 3.49Å; T444-G656 VanDerWaalsContact O-CA 3.26Å; T444-G656 WeakPolarHBondContact O-CA 3.46Å; E457-G656 WeakPolarHBondContact OE2-CA 3.46Å; E457-G656 PolarHBondContact OE2-N 2.95Å; G656-D658 PolarHBondContact O-N 2.79Å; G656-A659 PolarHBondContact O-N 3.42Å; G656-A659 VanDerWaalsContact O-N 3.16Å; G656-V660 PolarHBondContact O-N 3.37Å
657W93.1Very high93.4Very high22 Ų2243.6 Ų43.68%0.08322%0.215CC..Hα-helixtrans-63.2-22.1-177.1-80.495.5000114.4P443 T444 D469 L470 L473 F621 V660 N661 W671P443-W657 PolarHBondContact O-N 2.84Å; T444-W657 PolarHBondContact O-N 3.24Å; D469-W657 PolarHBondContact O-NE1 3.28Å; L470-W657 HydrophobicContact CD2-CH2 3.75Å; L470-W657 HydrophobicContact CD2-CZ2 3.52Å; L473-W657 HydrophobicContact CD2-CH2 4.46Å; F621-W657 HydrophobicContact CD1-CZ3 4.3Å; F621-W657 HydrophobicContact CD2-CH2 4.21Å; F621-W657 HydrophobicContact CD2-CZ3 4.33Å; F621-W657 HydrophobicContact CE2-CH2 4.18Å; F621-W657 HydrophobicContact CG-CZ3 4.19Å; F621-W657 HydrophobicContact CZ-CH2 4.45Å; W657-V660 HydrophobicContact CE3-CB 4.23Å; W657-V660 HydrophobicContact CE3-CG1 3.96Å; W657-V660 HydrophobicContact CZ3-CG1 4.07Å; W657-V660 PolarHBondContact O-N 2.83Å; W657-N661 WeakPolarHBondContact O-CB 3.43Å; W657-N661 PolarHBondContact O-N 3.01Å; W657-W671 AromaticContact CE3-CH2 3.62Å; W657-W671 HydrophobicContact CE3-CH2 3.62Å; W657-W671 HydrophobicContact CE3-CZ3 4.12Å; W657-W671 HydrophobicContact CH2-CH2 4.3Å; W657-W671 AromaticContact CZ3-CH2 3.37Å; W657-W671 HydrophobicContact CZ3-CH2 3.37Å; W657-W671 HydrophobicContact CZ3-CZ2 4.26Å; W657-W671 AromaticContact CZ3-CZ3 3.96Å; W657-W671 HydrophobicContact CZ3-CZ3 3.96Å
658D94Very high92.7Very high25 Ų2545.8 Ų45.813%0.13424%0.237CC..Hα-helixtrans-67.8-42.1174.1-80.4-18.3000111.7T444 R450 V454 G656 N661 V662T444-D658 VanDerWaalsContact O-CB 3.3Å; T444-D658 WeakPolarHBondContact O-CB 3.18Å; T444-D658 PolarHBondContact O-N 2.99Å; R450-D658 IonicContact CZ-OD1 2.62Å; R450-D658 IonicContact CZ-OD2 2.98Å; R450-D658 IonicContact NE-OD2 3.53Å; R450-D658 PolarHBondContact NE-OD2 3.16Å; R450-D658 IonicContact NH2-OD1 3.78Å; R450-D658 PolarHBondContact NH2-OD1 2.83Å; R450-D658 IonicContact NH2-OD2 2.93Å; R450-D658 PolarHBondContact NH2-OD2 3.03Å; V454-D658 HydrophobicContact CG1-CB 4.4Å; V454-D658 HydrophobicContact CG2-CB 3.49Å; V454-D658 VanDerWaalsContact CG2-CB 3.49Å; G656-D658 PolarHBondContact O-N 2.79Å; D658-N661 PolarHBondContact O-N 3Å; D658-V662 PolarHBondContact O-N 3.19Å; D658-V662 VanDerWaalsContact O-N 3.15Å
659A95Very high91.8Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-67.5-39.7175.400000111V454 E457 I655 G656 N661 V662 L663V454-A659 HydrophobicContact CG1-CB 4.33Å; E457-A659 HydrophobicContact CB-CB 3.57Å; I655-A659 HydrophobicContact CG2-CB 3.99Å; G656-A659 PolarHBondContact O-N 3.42Å; G656-A659 VanDerWaalsContact O-N 3.16Å; A659-N661 VanDerWaalsContact C-N 3.28Å; A659-N661 PolarHBondContact O-N 3.26Å; A659-V662 PolarHBondContact O-N 3.43Å; A659-V662 VanDerWaalsContact O-N 3.12Å; A659-L663 WeakPolarHBondContact O-CG 3.5Å; A659-L663 PolarHBondContact O-N 3.11Å
660V91.8Very high90.9Very high1 Ų136.1 Ų36.11%0.00620%0.198CC..Hα-helixtrans-57.5-42.2171.7177.30000111.2I468 F621 I655 G656 W657 V662 L663 R664I468-V660 HydrophobicContact CD1-CG2 3.58Å; I468-V660 HydrophobicContact CG1-CG2 4.08Å; I468-V660 HydrophobicContact CG2-CG2 4.13Å; F621-V660 HydrophobicContact CB-CG1 3.33Å; F621-V660 HydrophobicContact CG-CG1 4.31Å; I655-V660 HydrophobicContact CG2-CG2 4.19Å; G656-V660 PolarHBondContact O-N 3.37Å; W657-V660 HydrophobicContact CE3-CB 4.23Å; W657-V660 HydrophobicContact CE3-CG1 3.96Å; W657-V660 HydrophobicContact CZ3-CG1 4.07Å; W657-V660 PolarHBondContact O-N 2.83Å; V660-V662 VanDerWaalsContact C-N 3.31Å; V660-V662 PolarHBondContact O-N 3.34Å; V660-L663 PolarHBondContact O-N 2.95Å; V660-R664 WeakPolarHBondContact O-CG 3.39Å; V660-R664 PolarHBondContact O-N 3.45Å
661N90.1Very high89.8Confident53 Ų5336.1 Ų36.128%0.28320%0.198SC..Hα-helixtrans-65.3-32.3177.3-173.342.7000112.7W657 D658 A659 R664 M665W657-N661 WeakPolarHBondContact O-CB 3.43Å; W657-N661 PolarHBondContact O-N 3.01Å; D658-N661 PolarHBondContact O-N 3Å; A659-N661 VanDerWaalsContact C-N 3.28Å; A659-N661 PolarHBondContact O-N 3.26Å; N661-R664 WeakPolarHBondContact O-CG 3.39Å; N661-R664 PolarHBondContact OD1-NE 3.37Å; N661-R664 PolarHBondContact OD1-NH2 3.45Å; N661-M665 WeakPolarHBondContact O-CE 3.25Å; N661-M665 VanDerWaalsContact O-CG 3.23Å; N661-M665 WeakPolarHBondContact O-CG 3.45Å; N661-M665 PolarHBondContact O-N 2.73Å
662V92.6Very high88.4Confident49 Ų4935.1 Ų35.130%0.29718%0.184SC..Hα-helixtrans-68.8-48.7172177.50000110.7V454 Y458 D658 A659 V660 R664 M665 E666V454-V662 HydrophobicContact CG1-CG2 4.15Å; Y458-V662 HydrophobicContact CD2-CG1 3.93Å; Y458-V662 HydrophobicContact CE2-CG1 4.14Å; D658-V662 PolarHBondContact O-N 3.19Å; D658-V662 VanDerWaalsContact O-N 3.15Å; A659-V662 PolarHBondContact O-N 3.43Å; A659-V662 VanDerWaalsContact O-N 3.12Å; V660-V662 VanDerWaalsContact C-N 3.31Å; V660-V662 PolarHBondContact O-N 3.34Å; V662-R664 PolarHBondContact O-N 3.13Å; V662-M665 PolarHBondContact O-N 2.85Å; V662-E666 PolarHBondContact O-N 3.21Å; V662-E666 VanDerWaalsContact O-N 3.12Å
663L91Very high86.8Confident0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-56.8-52.6-179.9-70.9164.9000111.5Y458 A461 T462 E622 E624 A659 V660 M665 E666 K667Y458-L663 HydrophobicContact CD2-CD2 3.63Å; Y458-L663 HydrophobicContact CD2-CG 4Å; Y458-L663 HydrophobicContact CE2-CD2 3.61Å; Y458-L663 HydrophobicContact CE2-CG 4.34Å; A461-L663 HydrophobicContact CB-CD1 3.55Å; A461-L663 HydrophobicContact CB-CD2 4.25Å; T462-L663 HydrophobicContact CG2-CD2 3.87Å; E622-L663 HydrophobicContact CB-CD1 4.42Å; E624-L663 HydrophobicContact CG-CD2 4.49Å; A659-L663 WeakPolarHBondContact O-CG 3.5Å; A659-L663 PolarHBondContact O-N 3.11Å; V660-L663 PolarHBondContact O-N 2.95Å; L663-M665 PolarHBondContact O-N 3.07Å; L663-E666 PolarHBondContact O-N 2.85Å; L663-K667 WeakPolarHBondContact O-CG 3.45Å; L663-K667 PolarHBondContact O-N 3.05Å
664R87.6Confident85.4Confident14 Ų1439.5 Ų39.55%0.05321%0.21CC..Hα-helixtrans-58.2-36.7179.371.791.7-174.3179.5-2.6112.4F621 V660 N661 V662 K667 G668 I669 E675F621-R664 WeakPolarHBondContact O-CA 3.26Å; F621-R664 WeakPolarHBondContact O-CB 3.3Å; F621-R664 PolarHBondContact O-N 2.87Å; V660-R664 WeakPolarHBondContact O-CG 3.39Å; V660-R664 PolarHBondContact O-N 3.45Å; N661-R664 WeakPolarHBondContact O-CG 3.39Å; N661-R664 PolarHBondContact OD1-NE 3.37Å; N661-R664 PolarHBondContact OD1-NH2 3.45Å; V662-R664 PolarHBondContact O-N 3.13Å; R664-K667 PolarHBondContact O-N 3.02Å; R664-G668 PolarHBondContact O-N 3.2Å; R664-I669 HydrophobicContact CB-CB 4.11Å; R664-I669 WeakPolarHBondContact CD-O 3.41Å; R664-I669 PolarHBondContact NH1-O 3.21Å; R664-I669 VanDerWaalsContact NH1-O 3.13Å; R664-I669 PolarHBondContact O-N 3.37Å; R664-E675 IonicContact CZ-OE1 3.64Å; R664-E675 IonicContact CZ-OE2 3.41Å; R664-E675 IonicContact NH1-OE1 2.73Å; R664-E675 PolarHBondContact NH1-OE1 2.75Å; R664-E675 IonicContact NH1-OE2 2.73Å; R664-E675 PolarHBondContact NH1-OE2 3.21Å; R664-E675 IonicContact NH2-OE1 3.71Å; R664-E675 PolarHBondContact NH2-OE1 2.64Å; R664-E675 IonicContact NH2-OE2 3.57Å
665M88.3Confident84.1Confident100 Ų10043.1 Ų43.149%0.49323%0.227SC..Hα-helixtrans-67.8-43.3179.9-78.4-171.5-66.600111.6N661 V662 L663 K667 G668N661-M665 WeakPolarHBondContact O-CE 3.25Å; N661-M665 VanDerWaalsContact O-CG 3.23Å; N661-M665 WeakPolarHBondContact O-CG 3.45Å; N661-M665 PolarHBondContact O-N 2.73Å; V662-M665 PolarHBondContact O-N 2.85Å; L663-M665 PolarHBondContact O-N 3.07Å; M665-K667 PolarHBondContact O-N 3.27Å; M665-G668 PolarHBondContact O-N 3.46Å; M665-G668 VanDerWaalsContact O-N 3.12Å
666E89.2Confident82.5Confident118 Ų11844.2 Ų44.255%0.55123%0.233SC*.Hα-helixtrans-60.3-29175.8-70.9-171.6162.800112.5Y458 V662 L663Y458-E666 VanDerWaalsContact CE2-OE2 3.25Å; Y458-E666 WeakPolarHBondContact CE2-OE2 3.44Å; Y458-E666 VanDerWaalsContact OH-CD 3.3Å; Y458-E666 PolarHBondContact OH-OE1 3.38Å; Y458-E666 PolarHBondContact OH-OE2 2.82Å; V662-E666 PolarHBondContact O-N 3.21Å; V662-E666 VanDerWaalsContact O-N 3.12Å; L663-E666 PolarHBondContact O-N 2.85Å
667K84.6Confident80.9Confident88 Ų8849.6 Ų49.638%0.38325%0.253SS..THydrogen-bonded Turntrans-92.20.3-178.6-51.5-73.3176.8167.30112.9G623 E624 L663 R664 M665 I669G623-K667 VanDerWaalsContact O-CE 3.23Å; G623-K667 WeakPolarHBondContact O-CE 3.4Å; G623-K667 PolarHBondContact O-NZ 2.75Å; E624-K667 IonicContact OE1-NZ 2.97Å; E624-K667 PolarHBondContact OE1-NZ 3.22Å; L663-K667 WeakPolarHBondContact O-CG 3.45Å; L663-K667 PolarHBondContact O-N 3.05Å; R664-K667 PolarHBondContact O-N 3.02Å; M665-K667 PolarHBondContact O-N 3.27Å; K667-I669 HydrophobicContact CB-CD1 3.97Å; K667-I669 HydrophobicContact CB-CG1 3.93Å; K667-I669 PolarHBondContact O-N 3.48Å
668G82.8Confident79Confident45 Ų4549.5 Ų49.546%0.46425%0.254SS..THydrogen-bonded Turntrans69.216.7-178.700000114.5R664 M665 K670R664-G668 PolarHBondContact O-N 3.2Å; M665-G668 PolarHBondContact O-N 3.46Å; M665-G668 VanDerWaalsContact O-N 3.12Å; G668-K670 PolarHBondContact O-N 3.11Å
669I77.6Confident76.6Confident25 Ų2551.6 Ų51.613%0.12827%0.274CS..PPolyproline II helixtrans-76.5119.8-178-59176.4000108.8C620 R664 K667C620-I669 WeakPolarHBondContact O-CD1 3.49Å; R664-I669 HydrophobicContact CB-CB 4.11Å; R664-I669 WeakPolarHBondContact CD-O 3.41Å; R664-I669 PolarHBondContact NH1-O 3.21Å; R664-I669 VanDerWaalsContact NH1-O 3.13Å; R664-I669 PolarHBondContact O-N 3.37Å; K667-I669 HydrophobicContact CB-CD1 3.97Å; K667-I669 HydrophobicContact CB-CG1 3.93Å; K667-I669 PolarHBondContact O-N 3.48Å
670K75.3Confident74Confident66 Ų6653.4 Ų53.429%0.28729%0.294SS..PPolyproline II helixtrans-88135.6-176.4-59.4178.2-175170.10109.9G668 E675 V676G668-K670 PolarHBondContact O-N 3.11Å; K670-E675 HydrophobicContact CB-CB 4.08Å; K670-E675 HydrophobicContact CG-CB 4.25Å; K670-V676 HydrophobicContact CB-CG2 3.74Å; K670-V676 HydrophobicContact CD-CG2 3.95Å; K670-V676 HydrophobicContact CG-CG2 4.46Å
671W72Confident71.7Confident59 Ų5956.8 Ų56.822%0.22331%0.314CS..PPolyproline II helixtrans-96.9126.7174.9-157.4-45.6000109.8F621 W657 L674 E675 V676F621-W671 HydrophobicContact CD1-CE3 4.46Å; F621-W671 HydrophobicContact CD1-CZ3 4.31Å; F621-W671 HydrophobicContact CE1-CH2 4.47Å; F621-W671 HydrophobicContact CE1-CZ2 4.44Å; W657-W671 AromaticContact CE3-CH2 3.62Å; W657-W671 HydrophobicContact CE3-CH2 3.62Å; W657-W671 HydrophobicContact CE3-CZ3 4.12Å; W657-W671 HydrophobicContact CH2-CH2 4.3Å; W657-W671 AromaticContact CZ3-CH2 3.37Å; W657-W671 HydrophobicContact CZ3-CH2 3.37Å; W657-W671 HydrophobicContact CZ3-CZ2 4.26Å; W657-W671 AromaticContact CZ3-CZ3 3.96Å; W657-W671 HydrophobicContact CZ3-CZ3 3.96Å; W671-L674 HydrophobicContact CB-CB 4.32Å; W671-L674 HydrophobicContact CB-CD1 4.18Å; W671-L674 HydrophobicContact CG-CD1 4.41Å; W671-L674 PolarHBondContact O-N 2.96Å; W671-E675 PolarHBondContact N-OE2 3.46Å; W671-E675 PolarHBondContact O-N 3.08Å; W671-E675 VanDerWaalsContact O-N 3.15Å; W671-V676 PolarHBondContact O-N 2.89Å
672P65.7Low69.5Low20 Ų2055.7 Ų55.713%0.1331%0.308CS..BIsolated β-bridgetrans-51.4137.8168.1-27.936.3000112.8M513 Q516 L674 V676M513-P672 HydrophobicContact CE-CB 3.87Å; M513-P672 HydrophobicContact CE-CG 4.02Å; Q516-P672 HydrophobicContact CB-CG 3.85Å; Q516-P672 HydrophobicContact CG-CG 3.62Å; P672-L674 VanDerWaalsContact C-N 3.26Å; P672-L674 PolarHBondContact O-N 3.33Å; P672-V676 CarbonylContact C-O 3.55Å
673G63.4Low67Low28 Ų2859.7 Ų59.729%0.28933%0.327SS..THydrogen-bonded Turntrans86.7-30.8-175.700000114.5V676 R677G673-V676 PolarHBondContact N-O 3.43Å; G673-R677 PolarHBondContact O-NE 2.97Å
674L68.7Low64.5Low99 Ų9962.9 Ų62.952%0.51836%0.36SS..THydrogen-bonded Turntrans-91.8-78.4174.4-64.6179.2000111.2W671 P672W671-L674 HydrophobicContact CB-CB 4.32Å; W671-L674 HydrophobicContact CB-CD1 4.18Å; W671-L674 HydrophobicContact CG-CD1 4.41Å; W671-L674 PolarHBondContact O-N 2.96Å; P672-L674 VanDerWaalsContact C-N 3.26Å; P672-L674 PolarHBondContact O-N 3.33Å
675E70.8Confident62.1Low94 Ų9463.7 Ų63.744%0.43936%0.364SS..THydrogen-bonded Turntrans-85.3-23.7-179.5-6381.4-163.700113R664 K670 W671R664-E675 IonicContact CZ-OE1 3.64Å; R664-E675 IonicContact CZ-OE2 3.41Å; R664-E675 IonicContact NH1-OE1 2.73Å; R664-E675 PolarHBondContact NH1-OE1 2.75Å; R664-E675 IonicContact NH1-OE2 2.73Å; R664-E675 PolarHBondContact NH1-OE2 3.21Å; R664-E675 IonicContact NH2-OE1 3.71Å; R664-E675 PolarHBondContact NH2-OE1 2.64Å; R664-E675 IonicContact NH2-OE2 3.57Å; K670-E675 HydrophobicContact CB-CB 4.08Å; K670-E675 HydrophobicContact CG-CB 4.25Å; W671-E675 PolarHBondContact N-OE2 3.46Å; W671-E675 PolarHBondContact O-N 3.08Å; W671-E675 VanDerWaalsContact O-N 3.15Å
676V63.5Low59.6Low22 Ų2260.8 Ų60.813%0.13335%0.352CS..BIsolated β-bridgetrans-121.3108.1178.7-164.50000110.4M513 K670 W671 P672 G673 F685M513-V676 HydrophobicContact CE-CB 3.66Å; M513-V676 HydrophobicContact CE-CG1 3.28Å; M513-V676 HydrophobicContact SD-CG1 3.86Å; K670-V676 HydrophobicContact CB-CG2 3.74Å; K670-V676 HydrophobicContact CD-CG2 3.95Å; K670-V676 HydrophobicContact CG-CG2 4.46Å; W671-V676 PolarHBondContact O-N 2.89Å; P672-V676 CarbonylContact C-O 3.55Å; G673-V676 PolarHBondContact N-O 3.43Å; V676-F685 HydrophobicContact CG1-CD2 4.42Å; V676-F685 HydrophobicContact CG2-CD2 4.37Å; V676-F685 HydrophobicContact CG2-CE2 4.21Å
677R61.1Low57Low113 Ų11360.2 Ų60.243%0.42636%0.357SS..  trans-110.3154.3179.5-61.2-175-177-175.23.4111.3G673 A679 G680G673-R677 PolarHBondContact O-NE 2.97Å; R677-A679 PolarHBondContact O-N 2.73Å; R677-G680 PolarHBondContact O-N 3Å
678K53.3Low54.5Low20 Ų2061 Ų619%0.08736%0.36CS..THydrogen-bonded Turntrans-57.5-10.6-179.4-52.6-154.2173.9109.40114.9E372 R512 M513 V514 G680E372-K678 HydrophobicContact CB-CB 3.9Å; E372-K678 HydrophobicContact CB-CG 3.86Å; E372-K678 HydrophobicContact CG-CG 4.16Å; E372-K678 IonicContact OE1-NZ 3.82Å; E372-K678 PolarHBondContact OE1-NZ 2.66Å; E372-K678 WeakPolarHBondContact OE2-CD 3.43Å; E372-K678 WeakPolarHBondContact OE2-CE 3.41Å; E372-K678 WeakPolarHBondContact OE2-CG 3.23Å; E372-K678 IonicContact OE2-NZ 3.64Å; E372-K678 PolarHBondContact OE2-NZ 2.72Å; R512-K678 WeakPolarHBondContact CB-O 3.39Å; R512-K678 VanDerWaalsContact CD-O 3.3Å; R512-K678 WeakPolarHBondContact CD-O 3.44Å; R512-K678 WeakPolarHBondContact CG-O 3.49Å; M513-K678 WeakPolarHBondContact O-CG 3.13Å; V514-K678 WeakPolarHBondContact O-CE 3.32Å; K678-G680 VanDerWaalsContact C-N 3.31Å
679A44.9Very low52.2Low69 Ų6961.8 Ų61.857%0.5736%0.358SS*.THydrogen-bonded Turntrans-73.3-19.8174.400000113.8R677R677-A679 PolarHBondContact O-N 2.73Å
680G39.4Very low50Low39 Ų3966.9 Ų66.940%0.40239%0.385SS..SBendtrans-87.4132.9176.700000112R677 K678R677-G680 PolarHBondContact O-N 3Å; K678-G680 VanDerWaalsContact C-N 3.31Å
681T43.9Very low48Very low72 Ų7269.9 Ų69.944%0.44240%0.404SS..BIsolated β-bridgetrans-68.6153.6160.9540000108.8G511 L683 G684G511-T681 WeakPolarHBondContact O-CA 3.4Å; T681-L683 PolarHBondContact O-N 2.89Å; T681-G684 PolarHBondContact O-N 3.4Å
682I44.5Very low46Very low30 Ų3070.6 Ų70.615%0.15441%0.412CS..THydrogen-bonded Turntrans-57.4-18.1172.7-96.4-179.7000111.9V492 C505 L507 G511 G684 F685 V686V492-I682 HydrophobicContact CG1-CD1 4.24Å; C505-I682 HydrophobicContact CB-CD1 4.14Å; L507-I682 HydrophobicContact CD1-CD1 3.88Å; L507-I682 HydrophobicContact CD2-CD1 3.2Å; L507-I682 HydrophobicContact CD2-CG1 4.12Å; L507-I682 HydrophobicContact CG-CD1 4.13Å; G511-I682 PolarHBondContact O-N 3.42Å; I682-G684 PolarHBondContact O-N 3.4Å; I682-F685 HydrophobicContact CG1-CB 4.33Å; I682-F685 HydrophobicContact CG1-CD1 4.08Å; I682-F685 CarbonylContact O-C 3.54Å; I682-F685 WeakPolarHBondContact O-CA 3.25Å; I682-F685 WeakPolarHBondContact O-CB 3.33Å; I682-F685 PolarHBondContact O-N 2.67Å; I682-V686 HydrophobicContact CB-CG2 4.41Å; I682-V686 HydrophobicContact CG2-CB 4.48Å; I682-V686 HydrophobicContact CG2-CG2 3.11Å; I682-V686 VanDerWaalsContact O-CG2 3.27Å; I682-V686 WeakPolarHBondContact O-CG2 3.05Å; I682-V686 PolarHBondContact O-N 2.52Å
683L39Very low45Very low133 Ų13373.2 Ų73.270%0.69643%0.426SS*.Hα-helixtrans-66-19173-87.8151.5000114.8T681 F685 T687T681-L683 PolarHBondContact O-N 2.89Å; L683-F685 PolarHBondContact O-N 2.98Å; L683-T687 PolarHBondContact O-OG1 3.46Å
684G38.5Very low44Very low67 Ų6775.5 Ų75.569%0.69143%0.434SS*.Hα-helixtrans-74.5-4.8162.300000113.9T681 I682T681-G684 PolarHBondContact O-N 3.4Å; I682-G684 PolarHBondContact O-N 3.4Å
685F37.4Very low42.7Very low30 Ų3074.2 Ų74.213%0.13243%0.429CS..Hα-helixtrans-124-26-172.6-170.7-96.9000112.8V676 I682 L683 F688 C689V676-F685 HydrophobicContact CG1-CD2 4.42Å; V676-F685 HydrophobicContact CG2-CD2 4.37Å; V676-F685 HydrophobicContact CG2-CE2 4.21Å; I682-F685 HydrophobicContact CG1-CB 4.33Å; I682-F685 HydrophobicContact CG1-CD1 4.08Å; I682-F685 CarbonylContact O-C 3.54Å; I682-F685 WeakPolarHBondContact O-CA 3.25Å; I682-F685 WeakPolarHBondContact O-CB 3.33Å; I682-F685 PolarHBondContact O-N 2.67Å; L683-F685 PolarHBondContact O-N 2.98Å; F685-F688 WeakPolarHBondContact O-CA 3.23Å; F685-F688 WeakPolarHBondContact O-CB 3.06Å; F685-F688 PolarHBondContact O-N 3.27Å; F685-C689 WeakPolarHBondContact CD1-SG 3.48Å; F685-C689 WeakPolarHBondContact CE1-SG 3.39Å; F685-C689 PolarHBondContact O-N 3.26Å; F685-C689 VanDerWaalsContact O-N 3.12Å
686V36.6Very low41Very low40 Ų4073.1 Ų73.124%0.24243%0.428CS..Hα-helixtrans-73.5-31.6-180-1770000111.5I682 F688 C689 N690I682-V686 HydrophobicContact CB-CG2 4.41Å; I682-V686 HydrophobicContact CG2-CB 4.48Å; I682-V686 HydrophobicContact CG2-CG2 3.11Å; I682-V686 VanDerWaalsContact O-CG2 3.27Å; I682-V686 WeakPolarHBondContact O-CG2 3.05Å; I682-V686 PolarHBondContact O-N 2.52Å; V686-F688 PolarHBondContact O-N 3.28Å; V686-C689 PolarHBondContact O-N 2.85Å; V686-N690 WeakPolarHBondContact CG1-ND2 3.18Å; V686-N690 PolarHBondContact O-N 3.33Å; V686-N690 VanDerWaalsContact O-N 3.15Å
687T33Very low39.6Very low106 Ų10676.3 Ų76.365%0.6545%0.447SS*.Hα-helixtrans-60.7-5.4168.5-15.10000112.3L683L683-T687 PolarHBondContact O-OG1 3.46Å
688F33.7Very low38.2Very low105 Ų10573.8 Ų73.846%0.46145%0.448SS..Hα-helixtrans-114.3-31.2174.6-146.6-97.7000113F685 V686 L692F685-F688 WeakPolarHBondContact O-CA 3.23Å; F685-F688 WeakPolarHBondContact O-CB 3.06Å; F685-F688 PolarHBondContact O-N 3.27Å; V686-F688 PolarHBondContact O-N 3.28Å; F688-L692 HydrophobicContact CD1-CD1 3.82Å; F688-L692 HydrophobicContact CD1-CG 4.5Å; F688-L692 HydrophobicContact CE1-CD1 3.97Å; F688-L692 HydrophobicContact CE1-CD2 4.43Å; F688-L692 VanDerWaalsContact O-CD1 3.3Å; F688-L692 WeakPolarHBondContact O-CD1 2.99Å; F688-L692 VanDerWaalsContact O-CG 3.29Å; F688-L692 WeakPolarHBondContact O-CG 3.29Å
689C34.7Very low37.1Very low61 Ų6177.6 Ų77.641%0.41247%0.474SS..Hα-helixtrans-81.6-17.8179.3-65.70000114.6F685 V686F685-C689 WeakPolarHBondContact CD1-SG 3.48Å; F685-C689 WeakPolarHBondContact CE1-SG 3.39Å; F685-C689 PolarHBondContact O-N 3.26Å; F685-C689 VanDerWaalsContact O-N 3.12Å; V686-C689 PolarHBondContact O-N 2.85Å
690N31.5Very low36.5Very low131 Ų13178.3 Ų78.370%0.70147%0.467SS*.SBendtrans-95.1-7.9173.7-82.2-16.4000113.4V686V686-N690 WeakPolarHBondContact CG1-ND2 3.18Å; V686-N690 PolarHBondContact O-N 3.33Å; V686-N690 VanDerWaalsContact O-N 3.15Å
691D31.6Very low36.3Very low129 Ų12981.6 Ų81.669%0.6947%0.472SS*.  trans-107.216.6177-74.9-26.8000112.5
692L30.7Very low35.6Very low75 Ų7582.5 Ų82.539%0.39348%0.475SS..  trans-120.60167-58.9163.2000108.4E616 K617 F688E616-L692 HydrophobicContact CB-CB 4.4Å; E616-L692 HydrophobicContact CB-CD2 3.4Å; E616-L692 VanDerWaalsContact CB-CD2 3.4Å; E616-L692 HydrophobicContact CB-CG 4.35Å; E616-L692 HydrophobicContact CG-CD2 3.46Å; E616-L692 VanDerWaalsContact CG-CD2 3.46Å; E616-L692 WeakPolarHBondContact O-CD1 3.45Å; E616-L692 WeakPolarHBondContact OE2-CD2 3.39Å; K617-L692 WeakPolarHBondContact CE-O 3Å; K617-L692 PolarHBondContact NZ-O 3.16Å; F688-L692 HydrophobicContact CD1-CD1 3.82Å; F688-L692 HydrophobicContact CD1-CG 4.5Å; F688-L692 HydrophobicContact CE1-CD1 3.97Å; F688-L692 HydrophobicContact CE1-CD2 4.43Å; F688-L692 VanDerWaalsContact O-CD1 3.3Å; F688-L692 WeakPolarHBondContact O-CD1 2.99Å; F688-L692 VanDerWaalsContact O-CG 3.29Å; F688-L692 WeakPolarHBondContact O-CG 3.29Å

Retrieved 692 of 692 residues in 414.4 ms (Link to these results)

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