A0A3Q0KV99_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KV99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 839 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
1M53.2Low73.5Confident196 Ų19690.4 Ų90.497%0.96651%0.511SS*.  0-53.30-91.8-168.1-82.100110.2D3 L4 E5M1-D3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-E5 PolarHBondContact O-N 2.73Å
2A60.5Low74.3Confident67 Ų6787.3 Ų87.355%0.55450%0.5SS*.Hα-helixtrans-52.5-45.4175.300000114.1L4 E5 A6A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.23Å; A2-E5 PolarHBondContact O-N 3.34Å; A2-A6 PolarHBondContact O-N 3.45Å
3D66Low74.9Confident126 Ų12681.2 Ų81.267%0.67446%0.464SS*.Hα-helixtrans-59.7-40.2177-61.3-17.3000113M1 A6 V7M1-D3 PolarHBondContact O-N 3.46Å; D3-A6 PolarHBondContact O-N 2.95Å; D3-V7 WeakPolarHBondContact O-CB 3.31Å; D3-V7 VanDerWaalsContact O-CG2 3.26Å; D3-V7 WeakPolarHBondContact O-CG2 3.45Å; D3-V7 PolarHBondContact O-N 3.46Å
4L74.1Confident75.4Confident113 Ų11378.4 Ų78.459%0.59245%0.446SS*.Hα-helixtrans-69.7-37.8179.3-17365.4000110.8M1 A2 L8M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.09Å; A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.23Å; L4-L8 HydrophobicContact CD1-CG 4.5Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.41Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.25Å
5E75Confident75.8Confident134 Ų13481.2 Ų81.263%0.62646%0.456SS*.Hα-helixtrans-64.8-43.2174.9-74.3179.2167.700112M1 A2 L8 A9M1-E5 PolarHBondContact O-N 2.73Å; A2-E5 PolarHBondContact O-N 3.34Å; E5-L8 PolarHBondContact O-N 3.45Å; E5-A9 VanDerWaalsContact O-CB 3.31Å; E5-A9 WeakPolarHBondContact O-CB 3.46Å; E5-A9 PolarHBondContact O-N 3.17Å
6A74.6Confident76Confident33 Ų3376.5 Ų76.527%0.27343%0.431SS..Hα-helixtrans-61.5-49.5176.300000111.3A2 D3 L8 A9 D10 A487A2-A6 PolarHBondContact O-N 3.45Å; D3-A6 PolarHBondContact O-N 2.95Å; A6-L8 PolarHBondContact O-N 3.44Å; A6-A9 WeakPolarHBondContact O-CB 3.48Å; A6-A9 PolarHBondContact O-N 3.41Å; A6-A9 VanDerWaalsContact O-N 3.15Å; A6-D10 PolarHBondContact O-N 3.38Å; A6-A487 HydrophobicContact CB-CB 4.34Å
7V78.4Confident76.1Confident85 Ų8573.8 Ų73.852%0.51541%0.414SS..Hα-helixtrans-61.4-42.5177.3172.70000111.5D3 A9 D10 V11D3-V7 WeakPolarHBondContact O-CB 3.31Å; D3-V7 VanDerWaalsContact O-CG2 3.26Å; D3-V7 WeakPolarHBondContact O-CG2 3.45Å; D3-V7 PolarHBondContact O-N 3.46Å; V7-A9 VanDerWaalsContact C-N 3.32Å; V7-A9 PolarHBondContact O-N 3.37Å; V7-D10 PolarHBondContact O-N 3.08Å; V7-V11 HydrophobicContact CG1-CG2 4.42Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.24Å
8L81.2Confident75.8Confident103 Ų10377.2 Ų77.254%0.53943%0.426SS..Hα-helixtrans-64.5-36.8176.4-74.7170.7000112.1L4 E5 A6 S12L4-L8 HydrophobicContact CD1-CG 4.5Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 HydrophobicContact CG-CG 4.41Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.38Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.25Å; E5-L8 PolarHBondContact O-N 3.45Å; A6-L8 PolarHBondContact O-N 3.44Å; L8-S12 VanDerWaalsContact O-CB 3.22Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.06Å
9A78.9Confident74.8Confident34 Ų3479.5 Ų79.528%0.28144%0.435SS..Hα-helixtrans-65.8-41.7176.100000111.4E5 A6 V7 S12 Y13 R199E5-A9 VanDerWaalsContact O-CB 3.31Å; E5-A9 WeakPolarHBondContact O-CB 3.46Å; E5-A9 PolarHBondContact O-N 3.17Å; A6-A9 WeakPolarHBondContact O-CB 3.48Å; A6-A9 PolarHBondContact O-N 3.41Å; A6-A9 VanDerWaalsContact O-N 3.15Å; V7-A9 VanDerWaalsContact C-N 3.32Å; V7-A9 PolarHBondContact O-N 3.37Å; A9-S12 PolarHBondContact O-N 3.3Å; A9-Y13 VanDerWaalsContact O-CB 3.29Å; A9-Y13 WeakPolarHBondContact O-CB 3.42Å; A9-Y13 PolarHBondContact O-N 3.07Å; A9-R199 HydrophobicContact CB-CB 3.93Å
10D82.5Confident73.9Confident30 Ų3077.8 Ų77.816%0.1643%0.429CS..Hα-helixtrans-65-47.5176.2-71.3-7.4000111.7A6 V7 S12 Y13 L14 R199 V482A6-D10 PolarHBondContact O-N 3.38Å; V7-D10 PolarHBondContact O-N 3.08Å; D10-S12 PolarHBondContact O-N 3.17Å; D10-Y13 PolarHBondContact O-N 3.16Å; D10-L14 WeakPolarHBondContact O-CB 3.38Å; D10-L14 VanDerWaalsContact O-CG 3.32Å; D10-L14 WeakPolarHBondContact O-CG 3.05Å; D10-L14 PolarHBondContact O-N 3.4Å; D10-R199 WeakPolarHBondContact OD1-CD 3.26Å; D10-R199 IonicContact OD1-CZ 3.8Å; D10-R199 IonicContact OD1-NE 2.8Å; D10-R199 PolarHBondContact OD1-NE 2.93Å; D10-R199 IonicContact OD1-NH2 2.67Å; D10-V482 HydrophobicContact CB-CG2 3.99Å
11V83.7Confident72.9Confident73 Ų7381.5 Ų81.544%0.44244%0.441SS..Hα-helixtrans-60.4-46.4176.1172.80000110.9V7 Y13 L14 M15V7-V11 HydrophobicContact CG1-CG2 4.42Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.27Å; V7-V11 PolarHBondContact O-N 3.24Å; V11-Y13 VanDerWaalsContact C-N 3.3Å; V11-Y13 PolarHBondContact O-N 3.2Å; V11-L14 PolarHBondContact O-N 3.05Å; V11-M15 HydrophobicContact CG1-CG 4.27Å; V11-M15 HydrophobicContact CG1-SD 3.97Å; V11-M15 WeakPolarHBondContact O-CB 3.45Å; V11-M15 VanDerWaalsContact O-CG 3.23Å; V11-M15 WeakPolarHBondContact O-CG 3.14Å; V11-M15 PolarHBondContact O-N 3.39Å
12S83.1Confident73.1Confident54 Ų5474.5 Ų74.538%0.37841%0.412SS..Hα-helixtrans-58.5-42.8176.7175.40000112L8 A9 D10 A16 H198L8-S12 VanDerWaalsContact O-CB 3.22Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 3.06Å; A9-S12 PolarHBondContact O-N 3.3Å; D10-S12 PolarHBondContact O-N 3.17Å; S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.17Å; S12-H198 PolarHBondContact OG-ND1 2.85Å
13Y82.5Confident73.2Confident7 Ų776.3 Ų76.33%0.02742%0.416CS..Hα-helixtrans-66.5-48.1178.5178.6-112.9000112.1A9 D10 V11 M15 A16 M17 H198 R199 I201 V482A9-Y13 VanDerWaalsContact O-CB 3.29Å; A9-Y13 WeakPolarHBondContact O-CB 3.42Å; A9-Y13 PolarHBondContact O-N 3.07Å; D10-Y13 PolarHBondContact O-N 3.16Å; V11-Y13 VanDerWaalsContact C-N 3.3Å; V11-Y13 PolarHBondContact O-N 3.2Å; Y13-M15 PolarHBondContact O-N 3.37Å; Y13-A16 WeakPolarHBondContact O-CB 3.4Å; Y13-A16 PolarHBondContact O-N 3.22Å; Y13-A16 VanDerWaalsContact O-N 3.14Å; Y13-M17 HydrophobicContact CD1-SD 3.56Å; Y13-M17 VanDerWaalsContact CD1-SD 3.56Å; Y13-M17 HydrophobicContact CD2-SD 4.27Å; Y13-M17 HydrophobicContact CE1-CE 4.38Å; Y13-M17 HydrophobicContact CE1-CG 4.47Å; Y13-M17 HydrophobicContact CE1-SD 3.13Å; Y13-M17 WeakPolarHBondContact CE1-SD 3.49Å; Y13-M17 HydrophobicContact CE2-CG 4.29Å; Y13-M17 HydrophobicContact CE2-SD 3.87Å; Y13-M17 HydrophobicContact CG-SD 4.14Å; Y13-M17 WeakPolarHBondContact O-CG 3.49Å; Y13-M17 PolarHBondContact O-N 2.99Å; Y13-H198 HydrophobicContact CD2-CB 3.97Å; Y13-R199 VanDerWaalsContact CD1-CD 3.44Å; Y13-R199 HydrophobicContact CD1-CG 3.91Å; Y13-R199 HydrophobicContact CD2-CG 3.99Å; Y13-R199 HydrophobicContact CE1-CG 4.5Å; Y13-R199 HydrophobicContact CG-CG 3.58Å; Y13-I201 HydrophobicContact CE1-CG2 4.32Å; Y13-I201 HydrophobicContact CE2-CG2 4.22Å; Y13-V482 HydrophobicContact CD1-CG2 4.1Å
14L82.5Confident73Confident42 Ų4271.9 Ų71.922%0.2239%0.394CS..Hα-helixtrans-62.3-44.1178.1-71.6170.9000111.7D10 V11 A16 M17 E18 G480 V482D10-L14 WeakPolarHBondContact O-CB 3.38Å; D10-L14 VanDerWaalsContact O-CG 3.32Å; D10-L14 WeakPolarHBondContact O-CG 3.05Å; D10-L14 PolarHBondContact O-N 3.4Å; V11-L14 PolarHBondContact O-N 3.05Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 3.5Å; L14-M17 PolarHBondContact O-N 3.19Å; L14-M17 VanDerWaalsContact O-N 3.15Å; L14-E18 WeakPolarHBondContact O-CB 3.25Å; L14-E18 PolarHBondContact O-N 3.1Å; L14-G480 VanDerWaalsContact CD1-O 3.24Å; L14-G480 WeakPolarHBondContact CD1-O 3.3Å; L14-V482 HydrophobicContact CD1-CG2 4.44Å; L14-V482 HydrophobicContact CD2-CG2 4.4Å; L14-V482 HydrophobicContact CG-CG2 4.25Å
15M81.3Confident72.5Confident121 Ų12168 Ų6860%0.59638%0.378SS*.Hα-helixtrans-59.7-41.7173.8-73.4-176120.200111.4V11 Y13 M17 E18 M19V11-M15 HydrophobicContact CG1-CG 4.27Å; V11-M15 HydrophobicContact CG1-SD 3.97Å; V11-M15 WeakPolarHBondContact O-CB 3.45Å; V11-M15 VanDerWaalsContact O-CG 3.23Å; V11-M15 WeakPolarHBondContact O-CG 3.14Å; V11-M15 PolarHBondContact O-N 3.39Å; Y13-M15 PolarHBondContact O-N 3.37Å; M15-M17 VanDerWaalsContact C-N 3.28Å; M15-M17 PolarHBondContact O-N 3.25Å; M15-E18 PolarHBondContact O-N 2.8Å; M15-M19 WeakPolarHBondContact O-CG 3.46Å; M15-M19 PolarHBondContact O-N 3.06Å; M15-M19 VanDerWaalsContact O-N 3.09Å
16A77.9Confident72.2Confident6 Ų665.4 Ų65.45%0.0538%0.379CS..Hα-helixtrans-63.3-36.1177.800000112.4S12 Y13 L14 H198 R213 M220S12-A16 VanDerWaalsContact O-CB 3.3Å; S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.17Å; Y13-A16 WeakPolarHBondContact O-CB 3.4Å; Y13-A16 PolarHBondContact O-N 3.22Å; Y13-A16 VanDerWaalsContact O-N 3.14Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 3.5Å; A16-H198 VanDerWaalsContact CB-CE1 3.41Å; A16-H198 WeakPolarHBondContact CB-CE1 3.42Å; A16-R213 VanDerWaalsContact CB-NH2 3.34Å; A16-R213 PolarHBondContact O-NH2 2.96Å; A16-M220 HydrophobicContact CB-CE 4.05Å; A16-M220 HydrophobicContact CB-SD 4.42Å
17M77.7Confident71.9Confident31 Ų3165.4 Ų65.415%0.15337%0.372CS..Hα-helixtrans-75.6-38.9176.3-67.7168.963.100113.1Y13 L14 M15 M19 S20 N280Y13-M17 HydrophobicContact CD1-SD 3.56Å; Y13-M17 VanDerWaalsContact CD1-SD 3.56Å; Y13-M17 HydrophobicContact CD2-SD 4.27Å; Y13-M17 HydrophobicContact CE1-CE 4.38Å; Y13-M17 HydrophobicContact CE1-CG 4.47Å; Y13-M17 HydrophobicContact CE1-SD 3.13Å; Y13-M17 WeakPolarHBondContact CE1-SD 3.49Å; Y13-M17 HydrophobicContact CE2-CG 4.29Å; Y13-M17 HydrophobicContact CE2-SD 3.87Å; Y13-M17 HydrophobicContact CG-SD 4.14Å; Y13-M17 WeakPolarHBondContact O-CG 3.49Å; Y13-M17 PolarHBondContact O-N 2.99Å; L14-M17 PolarHBondContact O-N 3.19Å; L14-M17 VanDerWaalsContact O-N 3.15Å; M15-M17 VanDerWaalsContact C-N 3.28Å; M15-M17 PolarHBondContact O-N 3.25Å; M17-M19 VanDerWaalsContact C-N 3.3Å; M17-M19 PolarHBondContact O-N 3.4Å; M17-S20 WeakPolarHBondContact O-CA 3.33Å; M17-S20 WeakPolarHBondContact O-CB 3.36Å; M17-S20 PolarHBondContact O-N 2.99Å; M17-S20 PolarHBondContact O-OG 3.42Å; M17-N280 HydrophobicContact CE-CB 3.68Å; M17-N280 WeakPolarHBondContact CE-ND2 3.49Å
18E70.5Confident71.8Confident135 Ų13562.9 Ų62.963%0.63136%0.36SS*.Hα-helixtrans-67.4-36.4-179.8-162.6175.4-157.100111.1L14 M15 S20 K21L14-E18 WeakPolarHBondContact O-CB 3.25Å; L14-E18 PolarHBondContact O-N 3.1Å; M15-E18 PolarHBondContact O-N 2.8Å; E18-S20 PolarHBondContact O-N 3.02Å; E18-S20 VanDerWaalsContact O-N 3.1Å; E18-K21 PolarHBondContact O-N 2.91Å
19M58.4Low71.8Confident120 Ų12062.5 Ų62.559%0.59137%0.366SS*.G310 helixtrans-63-13.3169.3-68.1-139166.100113.1M15 M17 K21 S22 R27M15-M19 WeakPolarHBondContact O-CG 3.46Å; M15-M19 PolarHBondContact O-N 3.06Å; M15-M19 VanDerWaalsContact O-N 3.09Å; M17-M19 VanDerWaalsContact C-N 3.3Å; M17-M19 PolarHBondContact O-N 3.4Å; M19-K21 PolarHBondContact O-N 3.17Å; M19-K21 VanDerWaalsContact O-N 3.13Å; M19-S22 PolarHBondContact O-N 3.42Å; M19-S22 PolarHBondContact O-OG 3.12Å; M19-R27 WeakPolarHBondContact O-CD 3.16Å; M19-R27 PolarHBondContact O-NE 3.2Å
20S55.1Low72.1Confident45 Ų4564.9 Ų64.932%0.31537%0.37SS..G310 helixtrans-59.7-23.9177.485.10000113.8M17 E18 S22 R27M17-S20 WeakPolarHBondContact O-CA 3.33Å; M17-S20 WeakPolarHBondContact O-CB 3.36Å; M17-S20 PolarHBondContact O-N 2.99Å; M17-S20 PolarHBondContact O-OG 3.42Å; E18-S20 PolarHBondContact O-N 3.02Å; E18-S20 VanDerWaalsContact O-N 3.1Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 2.69Å; S20-R27 VanDerWaalsContact CA-CZ 3.47Å; S20-R27 PolarHBondContact O-NH2 3.35Å
21K54.7Low72.4Confident157 Ų15771.9 Ų71.968%0.68340%0.395SS*.G310 helixtrans-70.5-21.1176-61.2179.9-176.4170.30113.5E18 M19E18-K21 PolarHBondContact O-N 2.91Å; M19-K21 PolarHBondContact O-N 3.17Å; M19-K21 VanDerWaalsContact O-N 3.13Å
22S56.6Low72.9Confident49 Ų4970 Ų7034%0.34338%0.381SS..SBendtrans-80.6148.4169.969.60000110.4M19 S20 R27M19-S22 PolarHBondContact O-N 3.42Å; M19-S22 PolarHBondContact O-OG 3.12Å; S20-S22 VanDerWaalsContact C-N 3.28Å; S20-S22 PolarHBondContact O-N 2.69Å; S22-R27 PolarHBondContact O-NE 3.21Å; S22-R27 PolarHBondContact O-NH2 3.23Å; S22-R27 WeakPolarHBondContact OG-CD 3.41Å
23T63.3Low73.2Confident104 Ų10472.6 Ų72.664%0.63840%0.395SS*.  trans-52.2127.9-177.644.90000110.5A25 A26T23-A25 PolarHBondContact O-N 3.39Å; T23-A26 WeakPolarHBondContact O-CB 3.49Å; T23-A26 PolarHBondContact O-N 3.27Å
24P61.8Low73.8Confident34 Ų3473.3 Ų73.322%0.22140%0.399CS..G310 helixtrans-50.2-36.6-174.4-30.534.5000115A26 R27 T217 T529P24-A26 PolarHBondContact O-N 3.39Å; P24-R27 WeakPolarHBondContact O-CB 3.44Å; P24-R27 PolarHBondContact O-N 3.27Å; P24-T217 CarbonylContact C-O 3.56Å; P24-T217 VanDerWaalsContact O-O 3.11Å; P24-T529 HydrophobicContact CB-CG2 3.24Å; P24-T529 HydrophobicContact CG-CG2 3.76Å
25A62.9Low74.1Confident31 Ų3172.7 Ų72.726%0.25640%0.398SS..G310 helixtrans-54-36.4176.300000114.4T23 R27 A28 T529 V530T23-A25 PolarHBondContact O-N 3.39Å; A25-R27 PolarHBondContact O-N 3.06Å; A25-R27 VanDerWaalsContact O-N 3.16Å; A25-A28 PolarHBondContact O-N 3.38Å; A25-T529 WeakPolarHBondContact CB-O 3.34Å; A25-V530 HydrophobicContact CB-CG1 4.01Å
26A68.7Low74.3Confident79 Ų7968.4 Ų68.465%0.65338%0.378SS*.G310 helixtrans-67-16-179.900000112.6T23 P24T23-A26 WeakPolarHBondContact O-CB 3.49Å; T23-A26 PolarHBondContact O-N 3.27Å; P24-A26 PolarHBondContact O-N 3.39Å
27R69.2Low74.8Confident33 Ų3369.9 Ų69.913%0.12539%0.387CS..G310 helixtrans-101.9-4-175.7-60.7176.5-81.6143.6-24.6113.2M19 S20 S22 P24 A25 S29 G218M19-R27 WeakPolarHBondContact O-CD 3.16Å; M19-R27 PolarHBondContact O-NE 3.2Å; S20-R27 VanDerWaalsContact CA-CZ 3.47Å; S20-R27 PolarHBondContact O-NH2 3.35Å; S22-R27 PolarHBondContact O-NE 3.21Å; S22-R27 PolarHBondContact O-NH2 3.23Å; S22-R27 WeakPolarHBondContact OG-CD 3.41Å; P24-R27 WeakPolarHBondContact O-CB 3.44Å; P24-R27 PolarHBondContact O-N 3.27Å; A25-R27 PolarHBondContact O-N 3.06Å; A25-R27 VanDerWaalsContact O-N 3.16Å; R27-S29 PolarHBondContact O-N 3.23Å; R27-G218 PolarHBondContact NH1-O 2.91Å
28A74.9Confident75.1Confident32 Ų3269.2 Ų69.226%0.26439%0.385SS..  trans-66.6115.6174.600000109.9A25 A215 D216A25-A28 PolarHBondContact O-N 3.38Å; A28-A215 CarbonylContact C-O 3.56Å; A28-A215 VanDerWaalsContact CA-O 3.3Å; A28-A215 WeakPolarHBondContact CA-O 3.47Å; A28-D216 VanDerWaalsContact CB-O 3.28Å; A28-D216 WeakPolarHBondContact CB-O 3.28Å
29S80.8Confident76Confident95 Ų9563 Ų6366%0.66436%0.356SS*.SBendtrans-86.1-17.8176.260.90000112.9R27 A215R27-S29 PolarHBondContact O-N 3.23Å; S29-A215 PolarHBondContact N-O 3.01Å; S29-A215 PolarHBondContact OG-O 3.06Å
30K86.9Confident77.6Confident84 Ų8460.3 Ų60.337%0.36534%0.339SS..SBendtrans-115.6142.3170.5-70.5178.6175171.30109.3N193 D194 A215 D216K30-N193 PolarHBondContact NZ-O 2.88Å; K30-D194 IonicContact NZ-OD1 2.8Å; K30-D194 PolarHBondContact NZ-OD1 3.36Å; K30-A215 HydrophobicContact CB-CB 4.35Å; K30-A215 HydrophobicContact CD-CB 3.88Å; K30-A215 HydrophobicContact CG-CB 4.06Å; K30-A215 PolarHBondContact N-O 2.91Å; K30-D216 HydrophobicContact CB-CB 4.44Å; K30-D216 WeakPolarHBondContact O-CA 3.29Å
31R87.5Confident79.1Confident178 Ų17859.7 Ų59.767%0.67234%0.34SS*.  trans-95.5130.5176.3-73.3-170.6177.2-140.31.3111.3E537R31-E537 IonicContact NH1-OE2 2.74Å
32I93.7Very high80.7Confident32 Ų3252.2 Ų52.216%0.16431%0.307CS..  trans-69.1131.5165.5-61.8-176.9000108.7W181 L184 D216 T217 I526 V530 V534I32-W181 HydrophobicContact CG2-CH2 4.39Å; I32-W181 HydrophobicContact CG2-CZ3 4.25Å; I32-L184 HydrophobicContact CG2-CD1 3.58Å; I32-D216 HydrophobicContact CD1-CB 4.33Å; I32-D216 HydrophobicContact CG1-CB 3.88Å; I32-T217 HydrophobicContact CD1-CG2 4.32Å; I32-I526 HydrophobicContact CD1-CD1 3.62Å; I32-V530 HydrophobicContact CD1-CG2 3.95Å; I32-V534 HydrophobicContact CB-CG2 4.17Å; I32-V534 HydrophobicContact CG2-CG1 4.28Å
33T91.2Very high82.4Confident110 Ų11049.9 Ų49.968%0.67529%0.291SS*.  trans-120.3121.3172.9-570000108.3
34L93.3Very high83.8Confident21 Ų2146.2 Ų46.211%0.1127%0.268CS..PPolyproline II helixtrans-71.3144.7178-69.3171.6000111.2R177 Q180 W181 L184 V534 A538L34-R177 VanDerWaalsContact CD1-CD 3.45Å; L34-Q180 HydrophobicContact CB-CB 4.3Å; L34-Q180 HydrophobicContact CD2-CB 4.13Å; L34-W181 HydrophobicContact CD1-CZ2 4.35Å; L34-W181 HydrophobicContact CD2-CD2 3.69Å; L34-W181 HydrophobicContact CD2-CE3 3.94Å; L34-W181 HydrophobicContact CD2-CG 4.1Å; L34-W181 HydrophobicContact CD2-CH2 4.39Å; L34-W181 HydrophobicContact CD2-CZ2 4.15Å; L34-W181 HydrophobicContact CD2-CZ3 4.28Å; L34-L184 HydrophobicContact CD2-CD1 3.55Å; L34-L184 HydrophobicContact CD2-CG 4.4Å; L34-V534 HydrophobicContact CD1-CG1 3.88Å; L34-V534 HydrophobicContact CD2-CG1 4.49Å; L34-V534 HydrophobicContact CG-CG1 3.83Å; L34-A538 HydrophobicContact CD1-CB 3.79Å
35P89.3Confident85.1Confident30 Ų3048.3 Ų48.320%0.19527%0.274CS..PPolyproline II helixtrans-60.9162.9174.425.9-34.6000111.4I39 Q180 D183P35-I39 HydrophobicContact CB-CB 4.35Å; P35-I39 HydrophobicContact CB-CG1 4.43Å; P35-I39 HydrophobicContact CB-CG2 4.42Å; P35-I39 HydrophobicContact CG-CB 4.48Å; P35-I39 HydrophobicContact CG-CG1 4.4Å; P35-I39 HydrophobicContact CG-CG2 4.13Å; P35-Q180 HydrophobicContact CG-CB 3.93Å; P35-Q180 HydrophobicContact CG-CG 4.11Å; P35-Q180 PolarHBondContact O-NE2 2.78Å; P35-D183 HydrophobicContact CG-CB 4.22Å
36D86.1Confident86.5Confident31 Ų3149.5 Ų49.517%0.16627%0.272CS..PPolyproline II helixtrans-63.2145.2179.1-164.5-90.2000111.1S38 I39 K545D36-S38 PolarHBondContact O-N 3.26Å; D36-S38 PolarHBondContact OD1-N 3.05Å; D36-I39 WeakPolarHBondContact O-CB 3.33Å; D36-I39 VanDerWaalsContact O-CG2 3.28Å; D36-I39 WeakPolarHBondContact O-CG2 3.23Å; D36-I39 PolarHBondContact O-N 3.19Å; D36-K545 IonicContact OD2-NZ 3.78Å; D36-K545 PolarHBondContact OD2-NZ 2.89Å
37P88.8Confident87.7Confident37 Ų3745.9 Ų45.924%0.2424%0.242CC..THydrogen-bonded Turntrans-51.7-23179.5-31.937.4000115.6I39 R40 T176 D542P37-I39 PolarHBondContact O-N 3.43Å; P37-I39 VanDerWaalsContact O-N 3.1Å; P37-R40 WeakPolarHBondContact O-CB 3.3Å; P37-R40 PolarHBondContact O-N 3.48Å; P37-T176 HydrophobicContact CB-CG2 3.82Å; P37-D542 WeakPolarHBondContact CG-OD1 3.49Å
38S83.3Confident88.8Confident17 Ų1748 Ų4812%0.11925%0.253CS..THydrogen-bonded Turntrans-58.7-19.7173.9660000113.8D36 R40 G41D36-S38 PolarHBondContact O-N 3.26Å; D36-S38 PolarHBondContact OD1-N 3.05Å; S38-R40 PolarHBondContact O-N 2.93Å; S38-G41 PolarHBondContact O-N 3.46Å
39I88.9Confident89.6Confident3 Ų352 Ų522%0.01527%0.265CS..Hα-helixtrans-56-24.9177.3-164.657.6000113.1P35 D36 P37 G41 I42 M43 Q180 D183 M692P35-I39 HydrophobicContact CB-CB 4.35Å; P35-I39 HydrophobicContact CB-CG1 4.43Å; P35-I39 HydrophobicContact CB-CG2 4.42Å; P35-I39 HydrophobicContact CG-CB 4.48Å; P35-I39 HydrophobicContact CG-CG1 4.4Å; P35-I39 HydrophobicContact CG-CG2 4.13Å; D36-I39 WeakPolarHBondContact O-CB 3.33Å; D36-I39 VanDerWaalsContact O-CG2 3.28Å; D36-I39 WeakPolarHBondContact O-CG2 3.23Å; D36-I39 PolarHBondContact O-N 3.19Å; P37-I39 PolarHBondContact O-N 3.43Å; P37-I39 VanDerWaalsContact O-N 3.1Å; I39-G41 VanDerWaalsContact C-N 3.3Å; I39-G41 PolarHBondContact O-N 2.86Å; I39-I42 PolarHBondContact O-N 2.68Å; I39-M43 HydrophobicContact CD1-CG 4.37Å; I39-M43 HydrophobicContact CG1-CG 3.8Å; I39-M43 PolarHBondContact O-N 3.08Å; I39-Q180 HydrophobicContact CG2-CB 4.44Å; I39-Q180 HydrophobicContact CG2-CG 3.67Å; I39-D183 HydrophobicContact CG1-CB 3.93Å; I39-M692 HydrophobicContact CD1-CE 3.25Å
40R91.9Very high90.2Very high65 Ų6550.8 Ų50.825%0.24525%0.251CS..Hα-helixtrans-49.2-47.9177.7175.2-177.5173.81300.2112.5P37 S38 I42 M43 T44 L170 S172 T176P37-R40 WeakPolarHBondContact O-CB 3.3Å; P37-R40 PolarHBondContact O-N 3.48Å; S38-R40 PolarHBondContact O-N 2.93Å; R40-I42 VanDerWaalsContact C-N 3.31Å; R40-I42 PolarHBondContact O-N 2.96Å; R40-M43 PolarHBondContact O-N 2.86Å; R40-T44 WeakPolarHBondContact O-CB 3.45Å; R40-T44 PolarHBondContact O-N 3.39Å; R40-T44 PolarHBondContact O-OG1 2.8Å; R40-L170 PolarHBondContact NH1-O 2.77Å; R40-L170 PolarHBondContact NH2-O 2.87Å; R40-S172 PolarHBondContact NH1-O 2.93Å; R40-T176 HydrophobicContact CB-CG2 4.2Å; R40-T176 WeakPolarHBondContact CD-OG1 3.48Å; R40-T176 PolarHBondContact NH1-OG1 3.08Å
41G87.6Confident90.5Very high31 Ų3152.9 Ų52.932%0.3227%0.266SS..Hα-helixtrans-58.7-44-175.300000112.5S38 I39 K45S38-G41 PolarHBondContact O-N 3.46Å; I39-G41 VanDerWaalsContact C-N 3.3Å; I39-G41 PolarHBondContact O-N 2.86Å; G41-K45 PolarHBondContact O-N 2.8Å
42I88.4Confident90.9Very high1 Ų147.2 Ų47.21%0.00525%0.247CC..Hα-helixtrans-69.3-46.3178.1-67.4176.9000110.9I39 R40 K45 Y46 V605 M692 Q695 W696I39-I42 PolarHBondContact O-N 2.68Å; R40-I42 VanDerWaalsContact C-N 3.31Å; R40-I42 PolarHBondContact O-N 2.96Å; I42-K45 PolarHBondContact O-N 3.19Å; I42-Y46 PolarHBondContact O-N 3Å; I42-V605 HydrophobicContact CB-CG2 4.33Å; I42-V605 HydrophobicContact CD1-CG2 4.25Å; I42-V605 HydrophobicContact CG1-CG2 3.28Å; I42-M692 HydrophobicContact CD1-CE 4.48Å; I42-M692 HydrophobicContact CD1-CG 3.49Å; I42-M692 VanDerWaalsContact CD1-CG 3.49Å; I42-M692 HydrophobicContact CD1-SD 4.41Å; I42-M692 HydrophobicContact CG2-CB 4.37Å; I42-M692 HydrophobicContact CG2-CG 4.36Å; I42-Q695 HydrophobicContact CG2-CB 3.92Å; I42-Q695 HydrophobicContact CG2-CG 4.12Å; I42-W696 HydrophobicContact CD1-CD2 4.47Å; I42-W696 HydrophobicContact CD1-CZ2 3.93Å; I42-W696 VanDerWaalsContact CD1-NE1 3.31Å
43M91.9Very high90.8Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-69.2-34.3-177.6-74.3-55.4-5800112.9I39 R40 Y46 L47 C179 K182 D183 L186 I691I39-M43 HydrophobicContact CD1-CG 4.37Å; I39-M43 HydrophobicContact CG1-CG 3.8Å; I39-M43 PolarHBondContact O-N 3.08Å; R40-M43 PolarHBondContact O-N 2.86Å; M43-Y46 HydrophobicContact CE-CD1 3.93Å; M43-Y46 PolarHBondContact O-N 3.46Å; M43-L47 HydrophobicContact CE-CG 4.4Å; M43-L47 WeakPolarHBondContact O-CB 3.41Å; M43-L47 WeakPolarHBondContact O-CG 3.24Å; M43-L47 PolarHBondContact O-N 2.96Å; M43-C179 HydrophobicContact CB-CB 3.76Å; M43-C179 HydrophobicContact CG-CB 4.3Å; M43-K182 HydrophobicContact CE-CB 4.17Å; M43-K182 HydrophobicContact CE-CG 4.06Å; M43-D183 HydrophobicContact CG-CB 4.13Å; M43-D183 HydrophobicContact SD-CB 4.11Å; M43-L186 HydrophobicContact CE-CD1 3.87Å; M43-I691 HydrophobicContact SD-CG2 4.11Å
44T93Very high91Very high26 Ų2646 Ų4616%0.1624%0.238CC..Hα-helixtrans-58.9-50.1172.6-65.50000110.3R40 Y46 L47 E48 M53R40-T44 WeakPolarHBondContact O-CB 3.45Å; R40-T44 PolarHBondContact O-N 3.39Å; R40-T44 PolarHBondContact O-OG1 2.8Å; T44-Y46 VanDerWaalsContact C-N 3.33Å; T44-Y46 PolarHBondContact O-N 2.99Å; T44-L47 PolarHBondContact O-N 3.39Å; T44-E48 HydrophobicContact CG2-CG 4.36Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.49Å; T44-E48 WeakPolarHBondContact O-CB 3.46Å; T44-E48 VanDerWaalsContact O-CG 3.28Å; T44-E48 WeakPolarHBondContact O-CG 3.5Å; T44-E48 PolarHBondContact O-N 2.79Å; T44-M53 HydrophobicContact CG2-SD 3.97Å
45K89.4Confident91.2Very high79 Ų7945.3 Ų45.334%0.34323%0.234SC..Hα-helixtrans-59-44.2176.4-69.6-68.2-178.4-169.90112.5G41 I42 K49 Q695G41-K45 PolarHBondContact O-N 2.8Å; I42-K45 PolarHBondContact O-N 3.19Å; K45-K49 VanDerWaalsContact O-CB 3.3Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.22Å; K45-Q695 HydrophobicContact CB-CG 4.27Å
46Y91.5Very high91.5Very high56 Ų5646.8 Ų46.822%0.2224%0.241CC..Hα-helixtrans-61.2-47.2176.8175.9-91.6000111.9I42 M43 T44 K49 N50 L186 I691I42-Y46 PolarHBondContact O-N 3Å; M43-Y46 HydrophobicContact CE-CD1 3.93Å; M43-Y46 PolarHBondContact O-N 3.46Å; T44-Y46 VanDerWaalsContact C-N 3.33Å; T44-Y46 PolarHBondContact O-N 2.99Å; Y46-K49 PolarHBondContact O-N 3.03Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.48Å; Y46-N50 VanDerWaalsContact CE2-ND2 3.33Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.24Å; Y46-N50 PolarHBondContact O-N 3.38Å; Y46-N50 VanDerWaalsContact O-N 3.12Å; Y46-N50 PolarHBondContact O-ND2 3.06Å; Y46-L186 HydrophobicContact CD1-CD1 4.21Å; Y46-L186 HydrophobicContact CE1-CD1 3.5Å; Y46-L186 VanDerWaalsContact CE1-CD1 3.5Å; Y46-I691 HydrophobicContact CD1-CG2 4.45Å; Y46-I691 HydrophobicContact CD2-CG2 3.49Å; Y46-I691 VanDerWaalsContact CD2-CG2 3.49Å; Y46-I691 HydrophobicContact CE2-CD1 4.22Å; Y46-I691 HydrophobicContact CE2-CG1 4.09Å; Y46-I691 HydrophobicContact CE2-CG2 3.89Å; Y46-I691 HydrophobicContact CG-CG2 3.8Å
47L94.1Very high92Very high2 Ų250.3 Ų50.31%0.0125%0.254CS..Hα-helixtrans-68.9-39.5-178-67.9170.2000111.8M43 T44 N50 N51 Q52 M53 F175 F178 K182M43-L47 HydrophobicContact CE-CG 4.4Å; M43-L47 WeakPolarHBondContact O-CB 3.41Å; M43-L47 WeakPolarHBondContact O-CG 3.24Å; M43-L47 PolarHBondContact O-N 2.96Å; T44-L47 PolarHBondContact O-N 3.39Å; L47-N50 PolarHBondContact O-N 3.36Å; L47-N51 PolarHBondContact O-N 2.84Å; L47-Q52 HydrophobicContact CB-CB 4.26Å; L47-Q52 HydrophobicContact CD2-CB 3.67Å; L47-Q52 HydrophobicContact CD2-CG 4.33Å; L47-Q52 PolarHBondContact O-N 2.95Å; L47-M53 HydrophobicContact CB-CB 4.42Å; L47-F175 HydrophobicContact CD1-CZ 4.35Å; L47-F178 HydrophobicContact CD1-CD1 4.49Å; L47-F178 HydrophobicContact CD1-CE1 3.99Å; L47-K182 HydrophobicContact CD2-CG 4.2Å
48E93.2Very high92.4Very high79 Ų7948.6 Ų48.637%0.36924%0.243SC..Hα-helixtrans-57.9-52.8172.6-77.2173.3174.600110.9T44 N50 N51 M53T44-E48 HydrophobicContact CG2-CG 4.36Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.49Å; T44-E48 WeakPolarHBondContact O-CB 3.46Å; T44-E48 VanDerWaalsContact O-CG 3.28Å; T44-E48 WeakPolarHBondContact O-CG 3.5Å; T44-E48 PolarHBondContact O-N 2.79Å; E48-N50 PolarHBondContact O-N 2.99Å; E48-N51 PolarHBondContact O-N 2.71Å; E48-M53 HydrophobicContact CG-CB 4.47Å; E48-M53 HydrophobicContact CG-CE 3.42Å; E48-M53 VanDerWaalsContact CG-CE 3.42Å; E48-M53 HydrophobicContact CG-SD 3.62Å; E48-M53 WeakPolarHBondContact OE1-CE 3.3Å
49K91.2Very high93.1Very high116 Ų11648.2 Ų48.250%0.50424%0.239SC..Hα-helixtrans-57.7-36.4-179.8-178.6-177.2177-173.70112.7K45 Y46 N51 E698K45-K49 VanDerWaalsContact O-CB 3.3Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.22Å; Y46-K49 PolarHBondContact O-N 3.03Å; K49-N51 VanDerWaalsContact C-N 3.34Å; K49-E698 IonicContact NZ-OE1 3.18Å; K49-E698 PolarHBondContact NZ-OE1 3.5Å; K49-E698 IonicContact NZ-OE2 2.69Å; K49-E698 PolarHBondContact NZ-OE2 3.1Å
50N92.9Very high93.3Very high68 Ų6854 Ų5436%0.36427%0.271SS..THydrogen-bonded Turntrans-92.411.3-178.8-68.3-72.4000113.6Y46 L47 E48 Q52Y46-N50 WeakPolarHBondContact CD2-ND2 3.48Å; Y46-N50 VanDerWaalsContact CE2-ND2 3.33Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.24Å; Y46-N50 PolarHBondContact O-N 3.38Å; Y46-N50 VanDerWaalsContact O-N 3.12Å; Y46-N50 PolarHBondContact O-ND2 3.06Å; L47-N50 PolarHBondContact O-N 3.36Å; E48-N50 PolarHBondContact O-N 2.99Å; N50-Q52 HydrophobicContact CB-CG 3.95Å; N50-Q52 WeakPolarHBondContact O-CG 3.48Å; N50-Q52 PolarHBondContact O-N 3.04Å; N50-Q52 PolarHBondContact O-NE2 3.27Å
51N94.4Very high93.5Very high129 Ų12952.3 Ų52.369%0.6927%0.265SS*.THydrogen-bonded Turntrans52.238.4-177.6-60.9-51.1000113.3L47 E48 K49L47-N51 PolarHBondContact O-N 2.84Å; E48-N51 PolarHBondContact O-N 2.71Å; K49-N51 VanDerWaalsContact C-N 3.34Å
52Q94Very high94Very high59 Ų5954.8 Ų54.828%0.27627%0.267SS..  trans-101.8-3.7179.4-59.3-56.8-54.100113L47 N50 T54L47-Q52 HydrophobicContact CB-CB 4.26Å; L47-Q52 HydrophobicContact CD2-CB 3.67Å; L47-Q52 HydrophobicContact CD2-CG 4.33Å; L47-Q52 PolarHBondContact O-N 2.95Å; N50-Q52 HydrophobicContact CB-CG 3.95Å; N50-Q52 WeakPolarHBondContact O-CG 3.48Å; N50-Q52 PolarHBondContact O-N 3.04Å; N50-Q52 PolarHBondContact O-NE2 3.27Å; Q52-T54 VanDerWaalsContact C-N 3.27Å; Q52-T54 PolarHBondContact O-N 2.97Å
53M93.4Very high94.4Very high52 Ų5254.9 Ų54.926%0.25627%0.268SS..  trans-9135.2-176-157176.171.600113.4T44 L47 E48 L170 F175T44-M53 HydrophobicContact CG2-SD 3.97Å; L47-M53 HydrophobicContact CB-CB 4.42Å; E48-M53 HydrophobicContact CG-CB 4.47Å; E48-M53 HydrophobicContact CG-CE 3.42Å; E48-M53 VanDerWaalsContact CG-CE 3.42Å; E48-M53 HydrophobicContact CG-SD 3.62Å; E48-M53 WeakPolarHBondContact OE1-CE 3.3Å; M53-L170 HydrophobicContact CG-CD1 4.49Å; M53-L170 HydrophobicContact CG-CD2 4.29Å; M53-F175 HydrophobicContact CG-CZ 4.4Å; M53-F175 HydrophobicContact SD-CZ 4.4Å
54T95.7Very high94.7Very high63 Ų6354.9 Ų54.939%0.38727%0.268SS..SBendtrans-104.5155.4176.271.70000110.8Q52 D56 K57 I58Q52-T54 VanDerWaalsContact C-N 3.27Å; Q52-T54 PolarHBondContact O-N 2.97Å; T54-D56 VanDerWaalsContact C-N 3.31Å; T54-D56 PolarHBondContact O-N 2.78Å; T54-K57 PolarHBondContact O-N 3.19Å; T54-K57 VanDerWaalsContact OG1-CG 3.26Å; T54-K57 WeakPolarHBondContact OG1-CG 3.42Å; T54-K57 PolarHBondContact OG1-N 3.07Å; T54-I58 PolarHBondContact O-N 3.25Å; T54-I58 VanDerWaalsContact O-N 3.13Å
55F97.3Very high95Very high7 Ų755.5 Ų55.53%0.03127%0.267CS..Hα-helixtrans-52.3-50.9175.8172.1-95.2000111.1K57 I58 F59 F68 L158 L161 R162 F166F55-K57 VanDerWaalsContact C-N 3.27Å; F55-K57 PolarHBondContact O-N 3.08Å; F55-I58 PolarHBondContact O-N 3.49Å; F55-F59 HydrophobicContact CD1-CB 4.32Å; F55-F59 HydrophobicContact CD2-CB 4.26Å; F55-F59 HydrophobicContact CE1-CB 4.07Å; F55-F59 HydrophobicContact CE1-CD1 4.24Å; F55-F59 HydrophobicContact CE1-CD2 4.45Å; F55-F59 HydrophobicContact CE1-CG 4.02Å; F55-F59 HydrophobicContact CE2-CB 3.98Å; F55-F59 AromaticContact CE2-CD2 3.55Å; F55-F59 HydrophobicContact CE2-CD2 3.55Å; F55-F59 HydrophobicContact CE2-CE2 4.18Å; F55-F59 AromaticContact CE2-CG 3.86Å; F55-F59 HydrophobicContact CE2-CG 3.86Å; F55-F59 HydrophobicContact CG-CB 4.43Å; F55-F59 HydrophobicContact CZ-CB 3.89Å; F55-F59 AromaticContact CZ-CD1 3.97Å; F55-F59 HydrophobicContact CZ-CD1 3.97Å; F55-F59 AromaticContact CZ-CD2 3.52Å; F55-F59 HydrophobicContact CZ-CD2 3.52Å; F55-F59 HydrophobicContact CZ-CE1 4.36Å; F55-F59 AromaticContact CZ-CE2 3.95Å; F55-F59 HydrophobicContact CZ-CE2 3.95Å; F55-F59 AromaticContact CZ-CG 3.52Å; F55-F59 HydrophobicContact CZ-CG 3.52Å; F55-F59 HydrophobicContact CZ-CZ 4.34Å; F55-F59 WeakPolarHBondContact O-CB 3.33Å; F55-F59 PolarHBondContact O-N 3.4Å; F55-F68 HydrophobicContact CE2-CE1 4.36Å; F55-F68 HydrophobicContact CE2-CE2 4.35Å; F55-F68 HydrophobicContact CE2-CZ 4.04Å; F55-L158 HydrophobicContact CE1-CB 4.43Å; F55-L158 HydrophobicContact CE1-CD2 3.98Å; F55-L158 HydrophobicContact CZ-CD2 4.05Å; F55-L161 HydrophobicContact CE2-CB 3.71Å; F55-L161 HydrophobicContact CZ-CB 3.72Å; F55-L161 HydrophobicContact CZ-CD1 4.37Å; F55-R162 HydrophobicContact CB-CB 4.41Å; F55-R162 HydrophobicContact CB-CG 3.77Å; F55-R162 HydrophobicContact CD1-CB 4.45Å; F55-R162 HydrophobicContact CD1-CG 3.28Å; F55-R162 HydrophobicContact CD2-CG 4.43Å; F55-R162 HydrophobicContact CE1-CG 3.93Å; F55-R162 HydrophobicContact CG-CB 4.36Å; F55-R162 HydrophobicContact CG-CG 3.57Å; F55-F166 HydrophobicContact CB-CD1 3.99Å; F55-F166 HydrophobicContact CB-CD2 4.12Å; F55-F166 HydrophobicContact CB-CE1 4.14Å; F55-F166 HydrophobicContact CB-CE2 4.27Å; F55-F166 HydrophobicContact CB-CG 3.97Å; F55-F166 HydrophobicContact CB-CZ 4.27Å; F55-F166 HydrophobicContact CD2-CB 4.08Å; F55-F166 AromaticContact CD2-CD2 3.73Å; F55-F166 HydrophobicContact CD2-CD2 3.73Å; F55-F166 HydrophobicContact CD2-CE2 4.37Å; F55-F166 AromaticContact CD2-CG 3.97Å; F55-F166 HydrophobicContact CD2-CG 3.97Å; F55-F166 HydrophobicContact CG-CD2 4.42Å; F55-F166 HydrophobicContact CG-CG 4.48Å; F55-F166 VanDerWaalsContact N-CE1 3.34Å
56D95.7Very high95.4Very high62 Ų6253.7 Ų53.733%0.33226%0.261SS..Hα-helixtrans-62.1-34.4-176.2-56.1-66.8000112.7T54 N60 R162T54-D56 VanDerWaalsContact C-N 3.31Å; T54-D56 PolarHBondContact O-N 2.78Å; D56-N60 WeakPolarHBondContact O-CB 3.46Å; D56-N60 PolarHBondContact O-N 2.99Å; D56-N60 PolarHBondContact O-ND2 2.87Å; D56-R162 IonicContact OD1-CZ 2.66Å; D56-R162 VanDerWaalsContact OD1-CZ 3.29Å; D56-R162 IonicContact OD1-NE 2.74Å; D56-R162 PolarHBondContact OD1-NE 2.99Å; D56-R162 VanDerWaalsContact OD1-NE 3.07Å; D56-R162 IonicContact OD1-NH2 3.94Å; D56-R162 PolarHBondContact OD1-NH2 3.32Å; D56-R162 IonicContact OD2-NE 3.21Å; D56-R162 PolarHBondContact OD2-NE 2.99Å
57K95.6Very high95.7Very high104 Ų10451.1 Ų51.145%0.45225%0.251SS..Hα-helixtrans-70.8-46.8178.3-69.7-67.4-176.6-1750111.7T54 F55 E61T54-K57 PolarHBondContact O-N 3.19Å; T54-K57 VanDerWaalsContact OG1-CG 3.26Å; T54-K57 WeakPolarHBondContact OG1-CG 3.42Å; T54-K57 PolarHBondContact OG1-N 3.07Å; F55-K57 VanDerWaalsContact C-N 3.27Å; F55-K57 PolarHBondContact O-N 3.08Å; K57-E61 WeakPolarHBondContact O-CG 3.15Å; K57-E61 PolarHBondContact O-N 2.85Å
58I97.5Very high95.9Very high2 Ų251.1 Ų51.11%0.0125%0.251CS..Hα-helixtrans-75.5-42-177.8-60.1-175.3000111.1T54 F55 N60 E61 G64 F166 F169 L170 F175 F178T54-I58 PolarHBondContact O-N 3.25Å; T54-I58 VanDerWaalsContact O-N 3.13Å; F55-I58 PolarHBondContact O-N 3.49Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.05Å; I58-E61 WeakPolarHBondContact O-CB 3.38Å; I58-E61 PolarHBondContact O-N 3.35Å; I58-G64 CarbonylContact O-C 3.54Å; I58-G64 VanDerWaalsContact O-CA 3.29Å; I58-G64 WeakPolarHBondContact O-CA 3.36Å; I58-F166 HydrophobicContact CB-CE2 4.36Å; I58-F166 HydrophobicContact CD1-CE2 4.23Å; I58-F166 HydrophobicContact CD1-CZ 3.94Å; I58-F169 HydrophobicContact CG2-CE1 4.06Å; I58-F169 HydrophobicContact CG2-CZ 4.34Å; I58-L170 HydrophobicContact CD1-CD2 4.28Å; I58-F175 HydrophobicContact CD1-CD2 4.24Å; I58-F175 HydrophobicContact CD1-CE2 3.74Å; I58-F178 HydrophobicContact CD1-CD1 4.32Å; I58-F178 HydrophobicContact CD1-CE1 3.95Å; I58-F178 HydrophobicContact CD1-CZ 4.46Å; I58-F178 HydrophobicContact CG1-CE1 4.03Å; I58-F178 HydrophobicContact CG1-CZ 4.05Å; I58-F178 HydrophobicContact CG2-CD2 4.26Å; I58-F178 HydrophobicContact CG2-CE1 4.39Å; I58-F178 HydrophobicContact CG2-CE2 4.06Å; I58-F178 HydrophobicContact CG2-CZ 4.13Å
59F96.9Very high96.2Very high8 Ų851.8 Ų51.84%0.03525%0.25CS..Hα-helixtrans-69.1-31-177-168.7-92.3000112.5F55 E61 Y65 F68 L83 Y86 L158 L161F55-F59 HydrophobicContact CD1-CB 4.32Å; F55-F59 HydrophobicContact CD2-CB 4.26Å; F55-F59 HydrophobicContact CE1-CB 4.07Å; F55-F59 HydrophobicContact CE1-CD1 4.24Å; F55-F59 HydrophobicContact CE1-CD2 4.45Å; F55-F59 HydrophobicContact CE1-CG 4.02Å; F55-F59 HydrophobicContact CE2-CB 3.98Å; F55-F59 AromaticContact CE2-CD2 3.55Å; F55-F59 HydrophobicContact CE2-CD2 3.55Å; F55-F59 HydrophobicContact CE2-CE2 4.18Å; F55-F59 AromaticContact CE2-CG 3.86Å; F55-F59 HydrophobicContact CE2-CG 3.86Å; F55-F59 HydrophobicContact CG-CB 4.43Å; F55-F59 HydrophobicContact CZ-CB 3.89Å; F55-F59 AromaticContact CZ-CD1 3.97Å; F55-F59 HydrophobicContact CZ-CD1 3.97Å; F55-F59 AromaticContact CZ-CD2 3.52Å; F55-F59 HydrophobicContact CZ-CD2 3.52Å; F55-F59 HydrophobicContact CZ-CE1 4.36Å; F55-F59 AromaticContact CZ-CE2 3.95Å; F55-F59 HydrophobicContact CZ-CE2 3.95Å; F55-F59 AromaticContact CZ-CG 3.52Å; F55-F59 HydrophobicContact CZ-CG 3.52Å; F55-F59 HydrophobicContact CZ-CZ 4.34Å; F55-F59 WeakPolarHBondContact O-CB 3.33Å; F55-F59 PolarHBondContact O-N 3.4Å; F59-E61 VanDerWaalsContact C-N 3.32Å; F59-Y65 HydrophobicContact CD1-CD2 4.4Å; F59-Y65 HydrophobicContact CD2-CD2 4.1Å; F59-Y65 AromaticContact CE1-CD2 3.99Å; F59-Y65 HydrophobicContact CE1-CD2 3.99Å; F59-Y65 HydrophobicContact CE1-CE2 4.17Å; F59-Y65 AromaticContact CE2-CD2 3.66Å; F59-Y65 HydrophobicContact CE2-CD2 3.66Å; F59-Y65 AromaticContact CE2-CE2 3.85Å; F59-Y65 HydrophobicContact CE2-CE2 3.85Å; F59-Y65 HydrophobicContact CG-CD2 4.46Å; F59-Y65 AromaticContact CZ-CD2 3.61Å; F59-Y65 HydrophobicContact CZ-CD2 3.61Å; F59-Y65 AromaticContact CZ-CE2 3.54Å; F59-Y65 HydrophobicContact CZ-CE2 3.54Å; F59-Y65 WeakPolarHBondContact O-CB 3.44Å; F59-F68 AromaticContact CD2-CD1 3.74Å; F59-F68 HydrophobicContact CD2-CD1 3.74Å; F59-F68 HydrophobicContact CD2-CE1 4.08Å; F59-F68 HydrophobicContact CD2-CG 4.19Å; F59-F68 AromaticContact CE2-CD1 3.64Å; F59-F68 HydrophobicContact CE2-CD1 3.64Å; F59-F68 AromaticContact CE2-CE1 3.83Å; F59-F68 HydrophobicContact CE2-CE1 3.83Å; F59-L83 HydrophobicContact CE2-CD1 4.25Å; F59-L83 HydrophobicContact CZ-CD1 4.36Å; F59-Y86 AromaticContact CE1-CE1 3.81Å; F59-Y86 HydrophobicContact CE1-CE1 3.81Å; F59-Y86 HydrophobicContact CE1-CE2 4.37Å; F59-Y86 AromaticContact CE1-CZ 3.73Å; F59-Y86 HydrophobicContact CZ-CD1 4.07Å; F59-Y86 AromaticContact CZ-CE1 3.76Å; F59-Y86 HydrophobicContact CZ-CE1 3.76Å; F59-L158 HydrophobicContact CD1-CD2 4.26Å; F59-L158 HydrophobicContact CE1-CD2 3.74Å; F59-L158 HydrophobicContact CZ-CD2 4.19Å; F59-L161 HydrophobicContact CE2-CD1 4.5Å
60N94.8Very high96.4Very high126 Ų12648.2 Ų48.267%0.67424%0.237SC*.THydrogen-bonded Turntrans-81.3-11.7175-67.1-23.3000113.3D56 I58D56-N60 WeakPolarHBondContact O-CB 3.46Å; D56-N60 PolarHBondContact O-N 2.99Å; D56-N60 PolarHBondContact O-ND2 2.87Å; I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.05Å
61E96.2Very high96.7Very high29 Ų2945.4 Ų45.414%0.13622%0.221CC..SBendtrans-79.2132.3169.4-80-172.8-163.800110.2K57 I58 F59 L63 G64 Y65 F178 K182 Q523K57-E61 WeakPolarHBondContact O-CG 3.15Å; K57-E61 PolarHBondContact O-N 2.85Å; I58-E61 WeakPolarHBondContact O-CB 3.38Å; I58-E61 PolarHBondContact O-N 3.35Å; F59-E61 VanDerWaalsContact C-N 3.32Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.21Å; E61-G64 CarbonylContact O-C 3.48Å; E61-G64 PolarHBondContact O-N 2.94Å; E61-G64 VanDerWaalsContact O-N 3.09Å; E61-Y65 WeakPolarHBondContact O-CB 3.47Å; E61-Y65 PolarHBondContact O-N 2.81Å; E61-F178 WeakPolarHBondContact OE2-CE2 3.47Å; E61-K182 IonicContact OE1-NZ 3.54Å; E61-K182 PolarHBondContact OE1-NZ 3.43Å; E61-K182 IonicContact OE2-NZ 2.72Å; E61-K182 PolarHBondContact OE2-NZ 2.97Å; E61-Q523 PolarHBondContact OE2-NE2 2.96Å
62K96.6Very high96.8Very high83 Ų8339.7 Ų39.736%0.36119%0.191SC..Hα-helixtrans-56.8-45.4-176.4178.963.6177.6-176.40112.4L66 Q523 L524 A527K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.37Å; K62-L66 PolarHBondContact O-N 3.37Å; K62-L66 VanDerWaalsContact O-N 3.15Å; K62-Q523 HydrophobicContact CB-CB 4Å; K62-L524 HydrophobicContact CD-CD2 4.33Å; K62-L524 HydrophobicContact CG-CD2 4.19Å; K62-A527 HydrophobicContact CG-CB 3.87Å
63L98.1Very high96.8Very high2 Ų240.4 Ų40.41%0.0120%0.196CC..Hα-helixtrans-72.9-34.5178.3-58.5-169.5000111.8E61 L66 L67 W181 W522 Q523 I526 A527 F531E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 3.21Å; L63-L66 HydrophobicContact CD2-CD1 4.35Å; L63-L66 PolarHBondContact O-N 3.44Å; L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 2.93Å; L63-W181 HydrophobicContact CD1-CB 4.07Å; L63-W181 HydrophobicContact CD1-CD2 4.09Å; L63-W181 HydrophobicContact CD1-CE3 4.17Å; L63-W181 HydrophobicContact CD1-CG 4.08Å; L63-W522 HydrophobicContact CD1-CH2 3.96Å; L63-W522 HydrophobicContact CD1-CZ3 3.69Å; L63-Q523 HydrophobicContact CD1-CB 4.48Å; L63-Q523 HydrophobicContact CD1-CG 4.12Å; L63-Q523 HydrophobicContact CD2-CB 4.45Å; L63-Q523 HydrophobicContact CG-CB 3.89Å; L63-Q523 HydrophobicContact CG-CG 3.85Å; L63-I526 HydrophobicContact CD1-CB 4.39Å; L63-I526 HydrophobicContact CD1-CG2 4Å; L63-I526 HydrophobicContact CD2-CB 4.36Å; L63-I526 HydrophobicContact CD2-CG2 4.02Å; L63-A527 HydrophobicContact CD2-CB 4.15Å; L63-F531 HydrophobicContact CB-CE2 4.37Å; L63-F531 HydrophobicContact CD2-CD2 3.66Å; L63-F531 HydrophobicContact CD2-CE2 3.87Å; L63-F531 HydrophobicContact CD2-CG 4.35Å; L63-F531 HydrophobicContact CG-CE2 4.5Å
64G98.2Very high96.9Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-62.9-46.5175.100000111.9I58 E61 L66 L67 F68I58-G64 CarbonylContact O-C 3.54Å; I58-G64 VanDerWaalsContact O-CA 3.29Å; I58-G64 WeakPolarHBondContact O-CA 3.36Å; E61-G64 CarbonylContact O-C 3.48Å; E61-G64 PolarHBondContact O-N 2.94Å; E61-G64 VanDerWaalsContact O-N 3.09Å; G64-L66 PolarHBondContact O-N 2.66Å; G64-L67 PolarHBondContact O-N 3.3Å; G64-F68 VanDerWaalsContact O-CB 3.32Å; G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 2.92Å
65Y98.1Very high96.8Very high40 Ų4044 Ų4416%0.15722%0.217CC..Hα-helixtrans-56.7-49.1172.2177.7-100.6000112.4F59 E61 L67 F68 R69 L83 Y86 E87F59-Y65 HydrophobicContact CD1-CD2 4.4Å; F59-Y65 HydrophobicContact CD2-CD2 4.1Å; F59-Y65 AromaticContact CE1-CD2 3.99Å; F59-Y65 HydrophobicContact CE1-CD2 3.99Å; F59-Y65 HydrophobicContact CE1-CE2 4.17Å; F59-Y65 AromaticContact CE2-CD2 3.66Å; F59-Y65 HydrophobicContact CE2-CD2 3.66Å; F59-Y65 AromaticContact CE2-CE2 3.85Å; F59-Y65 HydrophobicContact CE2-CE2 3.85Å; F59-Y65 HydrophobicContact CG-CD2 4.46Å; F59-Y65 AromaticContact CZ-CD2 3.61Å; F59-Y65 HydrophobicContact CZ-CD2 3.61Å; F59-Y65 AromaticContact CZ-CE2 3.54Å; F59-Y65 HydrophobicContact CZ-CE2 3.54Å; F59-Y65 WeakPolarHBondContact O-CB 3.44Å; E61-Y65 WeakPolarHBondContact O-CB 3.47Å; E61-Y65 PolarHBondContact O-N 2.81Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 2.75Å; Y65-F68 PolarHBondContact O-N 3.28Å; Y65-R69 WeakPolarHBondContact O-CB 3.5Å; Y65-R69 PolarHBondContact O-N 3.46Å; Y65-L83 HydrophobicContact CE2-CD1 4.27Å; Y65-Y86 HydrophobicContact CE2-CD1 4.41Å; Y65-Y86 HydrophobicContact CE2-CE1 4.02Å; Y65-E87 WeakPolarHBondContact OH-CG 3.3Å; Y65-E87 PolarHBondContact OH-OE1 2.92Å; Y65-E87 VanDerWaalsContact OH-OE1 3.06Å
66L98.4Very high96.6Very high40 Ų4045.2 Ų45.221%0.20923%0.226CC..Hα-helixtrans-60.7-40.6-179.2-72.6173.9000112K62 L63 G64 D70 A527 F531K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.37Å; K62-L66 PolarHBondContact O-N 3.37Å; K62-L66 VanDerWaalsContact O-N 3.15Å; L63-L66 HydrophobicContact CD2-CD1 4.35Å; L63-L66 PolarHBondContact O-N 3.44Å; G64-L66 PolarHBondContact O-N 2.66Å; L66-D70 WeakPolarHBondContact O-CB 3.4Å; L66-D70 PolarHBondContact O-N 3.45Å; L66-A527 HydrophobicContact CD1-CB 3.8Å; L66-F531 HydrophobicContact CB-CE1 3.8Å; L66-F531 HydrophobicContact CB-CZ 3.86Å; L66-F531 HydrophobicContact CD1-CD1 3.97Å; L66-F531 HydrophobicContact CD1-CE1 3.91Å; L66-F531 HydrophobicContact CD1-CG 4.45Å; L66-F531 HydrophobicContact CD1-CZ 4.31Å; L66-F531 HydrophobicContact CG-CE1 4.46Å
67L98.6Very high96.3Very high2 Ų251.6 Ų51.61%0.0125%0.254CS..Hα-helixtrans-73.2-38.4177.8-69.7168.9000112.6L63 G64 Y65 R69 D70 F71 F169 R177 F178 F531L63-L67 WeakPolarHBondContact O-CG 3.31Å; L63-L67 PolarHBondContact O-N 2.93Å; G64-L67 PolarHBondContact O-N 3.3Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 2.75Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-D70 PolarHBondContact O-N 2.99Å; L67-F71 WeakPolarHBondContact O-CB 3.3Å; L67-F71 PolarHBondContact O-N 3.35Å; L67-F169 HydrophobicContact CB-CE2 4.35Å; L67-R177 HydrophobicContact CD1-CB 4.37Å; L67-R177 HydrophobicContact CD1-CG 4.21Å; L67-R177 HydrophobicContact CD2-CB 4.01Å; L67-R177 HydrophobicContact CD2-CG 3.63Å; L67-F178 HydrophobicContact CD1-CB 3.61Å; L67-F178 HydrophobicContact CD1-CD2 4.32Å; L67-F178 HydrophobicContact CD1-CG 4.49Å; L67-F531 HydrophobicContact CD2-CE2 4.48Å; L67-F531 HydrophobicContact CD2-CZ 3.87Å; L67-F531 HydrophobicContact CG-CE2 4.39Å; L67-F531 HydrophobicContact CG-CZ 3.9Å
68F98.3Very high96Very high2 Ų253.9 Ų53.91%0.00927%0.266CS..Hα-helixtrans-63.4-42.9173.4-178.3-93.1000111.1F55 F59 G64 Y65 F71 V72 L161 V165 F166 F169F55-F68 HydrophobicContact CE2-CE1 4.36Å; F55-F68 HydrophobicContact CE2-CE2 4.35Å; F55-F68 HydrophobicContact CE2-CZ 4.04Å; F59-F68 AromaticContact CD2-CD1 3.74Å; F59-F68 HydrophobicContact CD2-CD1 3.74Å; F59-F68 HydrophobicContact CD2-CE1 4.08Å; F59-F68 HydrophobicContact CD2-CG 4.19Å; F59-F68 AromaticContact CE2-CD1 3.64Å; F59-F68 HydrophobicContact CE2-CD1 3.64Å; F59-F68 AromaticContact CE2-CE1 3.83Å; F59-F68 HydrophobicContact CE2-CE1 3.83Å; G64-F68 VanDerWaalsContact O-CB 3.32Å; G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 2.92Å; Y65-F68 PolarHBondContact O-N 3.28Å; F68-F71 WeakPolarHBondContact O-CB 3.43Å; F68-F71 PolarHBondContact O-N 3.01Å; F68-V72 HydrophobicContact CD1-CG2 4.18Å; F68-V72 HydrophobicContact CE1-CG2 3.73Å; F68-V72 HydrophobicContact CZ-CG2 3.97Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 3.2Å; F68-L161 HydrophobicContact CE1-CD1 4.45Å; F68-L161 HydrophobicContact CE1-CD2 4.38Å; F68-L161 HydrophobicContact CZ-CB 4.41Å; F68-L161 HydrophobicContact CZ-CD2 4.32Å; F68-V165 HydrophobicContact CE2-CG1 4.27Å; F68-V165 HydrophobicContact CZ-CG1 3.82Å; F68-F166 HydrophobicContact CD2-CD2 4.38Å; F68-F166 HydrophobicContact CE2-CD2 4.18Å; F68-F169 HydrophobicContact CB-CD2 4.38Å; F68-F169 HydrophobicContact CB-CE2 4.24Å; F68-F169 HydrophobicContact CD2-CB 3.87Å; F68-F169 HydrophobicContact CD2-CD1 4.03Å; F68-F169 AromaticContact CD2-CD2 3.96Å; F68-F169 HydrophobicContact CD2-CD2 3.96Å; F68-F169 AromaticContact CD2-CG 3.67Å; F68-F169 HydrophobicContact CD2-CG 3.67Å; F68-F169 HydrophobicContact CE2-CB 3.99Å; F68-F169 HydrophobicContact CE2-CG 4.29Å
69R97.7Very high95.6Very high93 Ų9359.6 Ų59.635%0.35130%0.303SS..Hα-helixtrans-59.8-48.5174.6175.6-173.8-173.2-82.2-8.2111.9Y65 L67 F71 V72 L73 L83 E87Y65-R69 WeakPolarHBondContact O-CB 3.5Å; Y65-R69 PolarHBondContact O-N 3.46Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-F71 VanDerWaalsContact C-N 3.31Å; R69-F71 PolarHBondContact O-N 2.52Å; R69-V72 PolarHBondContact O-N 2.61Å; R69-L73 HydrophobicContact CG-CD1 3.79Å; R69-L73 HydrophobicContact CG-CG 4.42Å; R69-L73 WeakPolarHBondContact O-CB 3.43Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.33Å; R69-L83 HydrophobicContact CB-CD2 4.07Å; R69-L83 HydrophobicContact CG-CD2 4.01Å; R69-E87 VanDerWaalsContact CD-OE1 3.22Å; R69-E87 WeakPolarHBondContact CD-OE1 3.31Å; R69-E87 IonicContact CZ-OE1 2.81Å; R69-E87 IonicContact NE-OE1 3.93Å; R69-E87 PolarHBondContact NE-OE1 3.11Å; R69-E87 IonicContact NE-OE2 3.3Å; R69-E87 IonicContact NH2-OE1 3.44Å; R69-E87 IonicContact NH2-OE2 3.23Å
70D97.2Very high95.3Very high41 Ų4159.9 Ų59.922%0.21931%0.305CS..Hα-helixtrans-61.7-39.7177.1-176.814.3000111.7L66 L67 N74 K174L66-D70 WeakPolarHBondContact O-CB 3.4Å; L66-D70 PolarHBondContact O-N 3.45Å; L67-D70 PolarHBondContact O-N 2.99Å; D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact OD1-ND2 3.46Å; D70-K174 IonicContact OD1-NZ 3.13Å; D70-K174 WeakPolarHBondContact OD2-CE 3.45Å; D70-K174 IonicContact OD2-NZ 3.34Å; D70-K174 PolarHBondContact OD2-NZ 3.12Å
71F97.8Very high95Very high10 Ų1056.5 Ų56.54%0.04429%0.291CS..Hα-helixtrans-57.5-53.3171.6166.2-102000111.9L67 F68 R69 L73 V75 S76 V165 N168 F169 K174L67-F71 WeakPolarHBondContact O-CB 3.3Å; L67-F71 PolarHBondContact O-N 3.35Å; F68-F71 WeakPolarHBondContact O-CB 3.43Å; F68-F71 PolarHBondContact O-N 3.01Å; R69-F71 VanDerWaalsContact C-N 3.31Å; R69-F71 PolarHBondContact O-N 2.52Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 2.99Å; F71-V75 HydrophobicContact CD2-CB 3.8Å; F71-V75 HydrophobicContact CD2-CG1 3.9Å; F71-V75 HydrophobicContact CE2-CB 4.33Å; F71-V75 HydrophobicContact CE2-CG1 4.12Å; F71-V75 CarbonylContact O-C 3.5Å; F71-V75 WeakPolarHBondContact O-CA 3.33Å; F71-V75 WeakPolarHBondContact O-CB 3.47Å; F71-V75 PolarHBondContact O-N 3.13Å; F71-S76 PolarHBondContact O-N 2.96Å; F71-V165 HydrophobicContact CE1-CG1 4.44Å; F71-N168 HydrophobicContact CE1-CB 4.42Å; F71-N168 HydrophobicContact CZ-CB 3.77Å; F71-F169 HydrophobicContact CB-CD2 3.81Å; F71-F169 HydrophobicContact CB-CE2 4.49Å; F71-F169 HydrophobicContact CD1-CB 3.68Å; F71-F169 HydrophobicContact CD1-CD2 4.14Å; F71-F169 HydrophobicContact CD1-CG 4.4Å; F71-F169 HydrophobicContact CE1-CB 3.81Å; F71-F169 HydrophobicContact CG-CB 4.16Å; F71-F169 AromaticContact CG-CD2 3.95Å; F71-F169 HydrophobicContact CG-CD2 3.95Å; F71-F169 HydrophobicContact CZ-CB 4.41Å; F71-K174 HydrophobicContact CB-CB 4.01Å; F71-K174 HydrophobicContact CB-CG 3.87Å
72V96.7Very high94.8Very high9 Ų956.3 Ų56.36%0.05529%0.289CS..Hα-helixtrans-60.2-43.4-178.1163.30000111.9F68 R69 V80 L83 V165F68-V72 HydrophobicContact CD1-CG2 4.18Å; F68-V72 HydrophobicContact CE1-CG2 3.73Å; F68-V72 HydrophobicContact CZ-CG2 3.97Å; F68-V72 WeakPolarHBondContact O-CG2 3.49Å; F68-V72 PolarHBondContact O-N 3.2Å; R69-V72 PolarHBondContact O-N 2.61Å; V72-V80 HydrophobicContact CG1-CB 3.7Å; V72-V80 HydrophobicContact CG1-CG1 4.36Å; V72-V80 HydrophobicContact CG1-CG2 4.22Å; V72-L83 HydrophobicContact CB-CD2 3.64Å; V72-L83 HydrophobicContact CG1-CB 3.91Å; V72-L83 HydrophobicContact CG1-CD2 3.57Å; V72-L83 HydrophobicContact CG1-CG 4.4Å; V72-L83 HydrophobicContact CG2-CD2 4.11Å; V72-V165 HydrophobicContact CG2-CG1 4.15Å
73L94.5Very high94.7Very high74 Ų7452.3 Ų52.339%0.38727%0.272SS..Hα-helixtrans-80.6-33-173.5-65.7177.2000113.7R69 F71R69-L73 HydrophobicContact CG-CD1 3.79Å; R69-L73 HydrophobicContact CG-CG 4.42Å; R69-L73 WeakPolarHBondContact O-CB 3.43Å; R69-L73 WeakPolarHBondContact O-CG 3.33Å; R69-L73 PolarHBondContact O-N 3.33Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 2.99Å
74N94.8Very high94.4Very high121 Ų12154.8 Ų54.865%0.64729%0.288SS*.Hα-helixtrans-122.4-11.8-167.3-58.4-48.8000114.7D70D70-N74 WeakPolarHBondContact O-CB 3.48Å; D70-N74 PolarHBondContact O-N 3.06Å; D70-N74 PolarHBondContact OD1-ND2 3.46Å
75V94.4Very high94.3Very high70 Ų7055 Ų5542%0.42429%0.288SS..THydrogen-bonded Turntrans-123.9-36.3-173-174.90000112.9F71 E77 K174F71-V75 HydrophobicContact CD2-CB 3.8Å; F71-V75 HydrophobicContact CD2-CG1 3.9Å; F71-V75 HydrophobicContact CE2-CB 4.33Å; F71-V75 HydrophobicContact CE2-CG1 4.12Å; F71-V75 CarbonylContact O-C 3.5Å; F71-V75 WeakPolarHBondContact O-CA 3.33Å; F71-V75 WeakPolarHBondContact O-CB 3.47Å; F71-V75 PolarHBondContact O-N 3.13Å; V75-E77 PolarHBondContact O-N 3.4Å; V75-K174 HydrophobicContact CG2-CG 4.23Å
76S92.5Very high94.1Very high31 Ų3154.3 Ų54.322%0.21729%0.286CS..  trans-57.9131.3179.1-174.50000111.2F71 E78F71-S76 PolarHBondContact O-N 2.96Å; S76-E78 PolarHBondContact OG-O 3.27Å
77E90.2Very high94Very high196 Ų19654.7 Ų54.792%0.91629%0.286SS*.SBendtrans-71.9-37176.5-63.9-176.9177.800111.5V75V75-E77 PolarHBondContact O-N 3.4Å
78E88.8Confident93.9Very high153 Ų15355.9 Ų55.972%0.71529%0.293SS*.SBendtrans-91.2135176-64.1-167.8171.100110.7S76 V80S76-E78 PolarHBondContact OG-O 3.27Å; E78-V80 WeakPolarHBondContact O-CG2 3.2Å; E78-V80 PolarHBondContact O-N 2.93Å
79P88Confident93.8Very high121 Ų12155.9 Ų55.979%0.78629%0.293SS*.  trans-61.2129.2171.7-21.932.7000111.4P81P79-P81 VanDerWaalsContact C-CD 3.44Å; P79-P81 WeakPolarHBondContact O-CD 3.49Å
80V91.2Very high93.7Very high14 Ų1453.6 Ų53.69%0.08529%0.286CS..  trans-114.374.9177.4-168.10000109.7V72 E78 Q82 L83 L161 V165V72-V80 HydrophobicContact CG1-CB 3.7Å; V72-V80 HydrophobicContact CG1-CG1 4.36Å; V72-V80 HydrophobicContact CG1-CG2 4.22Å; E78-V80 WeakPolarHBondContact O-CG2 3.2Å; E78-V80 PolarHBondContact O-N 2.93Å; V80-Q82 VanDerWaalsContact C-OE1 3.26Å; V80-Q82 HydrophobicContact CG1-CB 4.39Å; V80-Q82 PolarHBondContact O-N 2.67Å; V80-Q82 VanDerWaalsContact O-N 3.11Å; V80-L83 PolarHBondContact O-N 2.97Å; V80-L161 HydrophobicContact CG1-CD2 3.66Å; V80-V165 HydrophobicContact CG1-CG1 4.29Å; V80-V165 HydrophobicContact CG1-CG2 4.25Å; V80-V165 HydrophobicContact CG2-CG1 4.29Å; V80-V165 HydrophobicContact CG2-CG2 4.41Å
81P89.7Confident93.6Very high56 Ų5657.5 Ų57.536%0.36430%0.3SS..Hα-helixtrans-60.7-21.1-177.926.1-35.8000113.5P79 L83 T84 F85P79-P81 VanDerWaalsContact C-CD 3.44Å; P79-P81 WeakPolarHBondContact O-CD 3.49Å; P81-L83 PolarHBondContact O-N 3.38Å; P81-T84 PolarHBondContact O-N 3.1Å; P81-T84 VanDerWaalsContact O-N 3.13Å; P81-F85 PolarHBondContact O-N 3.33Å
82Q91.4Very high93.5Very high24 Ų2457 Ų5711%0.11230%0.298CS..Hα-helixtrans-55.6-36.1179-61.983.5-6.300112.2V80 F85 Y86 I157 L161V80-Q82 VanDerWaalsContact C-OE1 3.26Å; V80-Q82 HydrophobicContact CG1-CB 4.39Å; V80-Q82 PolarHBondContact O-N 2.67Å; V80-Q82 VanDerWaalsContact O-N 3.11Å; Q82-F85 PolarHBondContact O-N 3.01Å; Q82-Y86 PolarHBondContact O-N 3.34Å; Q82-I157 HydrophobicContact CB-CG2 4.02Å; Q82-I157 WeakPolarHBondContact O-CG2 3.31Å; Q82-L161 HydrophobicContact CB-CD2 4.24Å
83L93.7Very high93.3Very high0 Ų059.2 Ų59.20%031%0.308CS..Hα-helixtrans-68.1-42.6178.7-177.465.7000111.9F59 Y65 R69 V72 V80 P81 F85 Y86 E87F59-L83 HydrophobicContact CE2-CD1 4.25Å; F59-L83 HydrophobicContact CZ-CD1 4.36Å; Y65-L83 HydrophobicContact CE2-CD1 4.27Å; R69-L83 HydrophobicContact CB-CD2 4.07Å; R69-L83 HydrophobicContact CG-CD2 4.01Å; V72-L83 HydrophobicContact CB-CD2 3.64Å; V72-L83 HydrophobicContact CG1-CB 3.91Å; V72-L83 HydrophobicContact CG1-CD2 3.57Å; V72-L83 HydrophobicContact CG1-CG 4.4Å; V72-L83 HydrophobicContact CG2-CD2 4.11Å; V80-L83 PolarHBondContact O-N 2.97Å; P81-L83 PolarHBondContact O-N 3.38Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 2.87Å; L83-Y86 HydrophobicContact CD1-CD1 4.49Å; L83-Y86 WeakPolarHBondContact O-CB 3.41Å; L83-Y86 PolarHBondContact O-N 3.44Å; L83-E87 WeakPolarHBondContact O-CG 3.15Å; L83-E87 PolarHBondContact O-N 3.37Å
84T93.3Very high93Very high54 Ų5462.8 Ų62.833%0.33132%0.321SS..Hα-helixtrans-64.7-35.7176.1-55.10000111.1P81 E87 N88P81-T84 PolarHBondContact O-N 3.1Å; P81-T84 VanDerWaalsContact O-N 3.13Å; T84-E87 PolarHBondContact O-N 3.17Å; T84-N88 PolarHBondContact O-N 3.38Å
85F94.5Very high92.8Very high3 Ų358.7 Ų58.71%0.01330%0.298CS..Hα-helixtrans-64.5-46.7173.6-171-169.6000111.2P81 Q82 L83 E87 N88 I89 I108 H112 I113 F124 Y153 I157P81-F85 PolarHBondContact O-N 3.33Å; Q82-F85 PolarHBondContact O-N 3.01Å; L83-F85 VanDerWaalsContact C-N 3.27Å; L83-F85 PolarHBondContact O-N 2.87Å; F85-E87 PolarHBondContact O-N 3.05Å; F85-N88 PolarHBondContact O-N 2.96Å; F85-I89 HydrophobicContact CD2-CD1 3.84Å; F85-I89 HydrophobicContact CD2-CG1 3.98Å; F85-I89 HydrophobicContact CE2-CD1 3.63Å; F85-I89 HydrophobicContact CE2-CG1 3.8Å; F85-I89 HydrophobicContact CG-CD1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 4.12Å; F85-I89 WeakPolarHBondContact O-CG1 3.47Å; F85-I89 PolarHBondContact O-N 2.87Å; F85-I108 HydrophobicContact CD2-CG2 3.96Å; F85-I108 HydrophobicContact CE2-CG2 3.39Å; F85-I108 HydrophobicContact CZ-CG2 4.37Å; F85-H112 HydrophobicContact CB-CB 4.33Å; F85-H112 HydrophobicContact CD1-CB 3.86Å; F85-H112 HydrophobicContact CD2-CB 3.82Å; F85-H112 AromaticContact CD2-CD2 3.72Å; F85-H112 AromaticContact CD2-CG 3.75Å; F85-H112 HydrophobicContact CE1-CB 4.12Å; F85-H112 HydrophobicContact CE2-CB 4.11Å; F85-H112 HydrophobicContact CG-CB 3.73Å; F85-H112 AromaticContact CG-CG 3.7Å; F85-H112 HydrophobicContact CZ-CB 4.26Å; F85-I113 HydrophobicContact CE1-CG1 4.2Å; F85-I113 HydrophobicContact CZ-CD1 3.95Å; F85-I113 HydrophobicContact CZ-CG1 3.91Å; F85-F124 HydrophobicContact CD1-CE2 4.33Å; F85-F124 HydrophobicContact CD1-CZ 4.06Å; F85-F124 HydrophobicContact CE1-CE2 4.2Å; F85-F124 HydrophobicContact CE1-CZ 4.14Å; F85-Y153 AromaticContact CE1-CD1 3.72Å; F85-Y153 HydrophobicContact CE1-CD1 3.72Å; F85-Y153 HydrophobicContact CE1-CE1 4.19Å; F85-Y153 HydrophobicContact CE1-CG 4.03Å; F85-Y153 AromaticContact CZ-CD1 3.96Å; F85-Y153 HydrophobicContact CZ-CD1 3.96Å; F85-Y153 HydrophobicContact CZ-CD2 4.21Å; F85-Y153 HydrophobicContact CZ-CE1 4.45Å; F85-Y153 AromaticContact CZ-CG 3.81Å; F85-Y153 HydrophobicContact CZ-CG 3.81Å; F85-I157 HydrophobicContact CB-CD1 4.07Å; F85-I157 HydrophobicContact CD1-CD1 3.45Å; F85-I157 VanDerWaalsContact CD1-CD1 3.45Å; F85-I157 HydrophobicContact CD1-CG1 4.19Å; F85-I157 HydrophobicContact CD2-CD1 4.35Å; F85-I157 HydrophobicContact CE1-CD1 3.85Å; F85-I157 HydrophobicContact CG-CD1 3.71Å; F85-I157 HydrophobicContact CZ-CD1 4.43Å
86Y95.7Very high92.3Very high26 Ų2657.6 Ų57.610%0.10229%0.29CS..Hα-helixtrans-55.4-46.3173.4175.7-95.5000112.6F59 Y65 Q82 L83 N88 I89 K90 E154 L158F59-Y86 AromaticContact CE1-CE1 3.81Å; F59-Y86 HydrophobicContact CE1-CE1 3.81Å; F59-Y86 HydrophobicContact CE1-CE2 4.37Å; F59-Y86 AromaticContact CE1-CZ 3.73Å; F59-Y86 HydrophobicContact CZ-CD1 4.07Å; F59-Y86 AromaticContact CZ-CE1 3.76Å; F59-Y86 HydrophobicContact CZ-CE1 3.76Å; Y65-Y86 HydrophobicContact CE2-CD1 4.41Å; Y65-Y86 HydrophobicContact CE2-CE1 4.02Å; Q82-Y86 PolarHBondContact O-N 3.34Å; L83-Y86 HydrophobicContact CD1-CD1 4.49Å; L83-Y86 WeakPolarHBondContact O-CB 3.41Å; L83-Y86 PolarHBondContact O-N 3.44Å; Y86-N88 VanDerWaalsContact C-N 3.32Å; Y86-N88 PolarHBondContact O-N 3.1Å; Y86-I89 WeakPolarHBondContact O-CB 3.16Å; Y86-I89 PolarHBondContact O-N 3.08Å; Y86-I89 VanDerWaalsContact O-N 3.16Å; Y86-K90 HydrophobicContact CD1-CG 4.23Å; Y86-K90 HydrophobicContact CE1-CG 3.72Å; Y86-K90 HydrophobicContact CE2-CD 4.39Å; Y86-K90 HydrophobicContact CE2-CG 4.17Å; Y86-K90 VanDerWaalsContact CZ-CE 3.49Å; Y86-K90 PolarHBondContact O-N 3.32Å; Y86-K90 WeakPolarHBondContact OH-CE 3.37Å; Y86-E154 HydrophobicContact CD2-CG 4.07Å; Y86-E154 HydrophobicContact CE2-CG 3.88Å; Y86-L158 HydrophobicContact CD2-CD2 4.06Å; Y86-L158 HydrophobicContact CD2-CG 4.44Å; Y86-L158 HydrophobicContact CE2-CD1 4.43Å; Y86-L158 HydrophobicContact CE2-CD2 3.78Å; Y86-L158 HydrophobicContact CE2-CG 4.25Å
87E96Very high92Very high48 Ų4859.1 Ų59.122%0.22430%0.298CS..Hα-helixtrans-60.9-40.4177.6-75.8-172.7148.100112.7Y65 R69 L83 T84 F85 K90 K91Y65-E87 WeakPolarHBondContact OH-CG 3.3Å; Y65-E87 PolarHBondContact OH-OE1 2.92Å; Y65-E87 VanDerWaalsContact OH-OE1 3.06Å; R69-E87 VanDerWaalsContact CD-OE1 3.22Å; R69-E87 WeakPolarHBondContact CD-OE1 3.31Å; R69-E87 IonicContact CZ-OE1 2.81Å; R69-E87 IonicContact NE-OE1 3.93Å; R69-E87 PolarHBondContact NE-OE1 3.11Å; R69-E87 IonicContact NE-OE2 3.3Å; R69-E87 IonicContact NH2-OE1 3.44Å; R69-E87 IonicContact NH2-OE2 3.23Å; L83-E87 WeakPolarHBondContact O-CG 3.15Å; L83-E87 PolarHBondContact O-N 3.37Å; T84-E87 PolarHBondContact O-N 3.17Å; F85-E87 PolarHBondContact O-N 3.05Å; E87-K90 PolarHBondContact O-N 3.22Å; E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 PolarHBondContact O-N 3.32Å
88N96.7Very high92Very high28 Ų2852.1 Ų52.115%0.1527%0.267CS..Hα-helixtrans-66.1-38.4175.5-79.8-5.5000111.8T84 F85 Y86 K91 F92 F104 I108 H112T84-N88 PolarHBondContact O-N 3.38Å; F85-N88 PolarHBondContact O-N 2.96Å; Y86-N88 VanDerWaalsContact C-N 3.32Å; Y86-N88 PolarHBondContact O-N 3.1Å; N88-K91 PolarHBondContact O-N 3.32Å; N88-F92 WeakPolarHBondContact O-CB 3.48Å; N88-F92 PolarHBondContact O-N 3.45Å; N88-F104 HydrophobicContact CB-CZ 4.27Å; N88-F104 WeakPolarHBondContact O-CE1 3.3Å; N88-I108 HydrophobicContact CB-CD1 4.02Å; N88-I108 HydrophobicContact CB-CG1 4.01Å; N88-I108 WeakPolarHBondContact O-CD1 3.28Å; N88-H112 PolarHBondContact ND2-NE2 3.39Å
89I96.2Very high92.2Very high1 Ų152.5 Ų52.51%0.00527%0.269CS..Hα-helixtrans-60.8-47.9172.7-67.4165.4000110.1F85 Y86 K91 F92 E93 F150 I157F85-I89 HydrophobicContact CD2-CD1 3.84Å; F85-I89 HydrophobicContact CD2-CG1 3.98Å; F85-I89 HydrophobicContact CE2-CD1 3.63Å; F85-I89 HydrophobicContact CE2-CG1 3.8Å; F85-I89 HydrophobicContact CG-CD1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 4.12Å; F85-I89 WeakPolarHBondContact O-CG1 3.47Å; F85-I89 PolarHBondContact O-N 2.87Å; Y86-I89 WeakPolarHBondContact O-CB 3.16Å; Y86-I89 PolarHBondContact O-N 3.08Å; Y86-I89 VanDerWaalsContact O-N 3.16Å; I89-K91 VanDerWaalsContact C-N 3.26Å; I89-K91 PolarHBondContact O-N 3.32Å; I89-F92 WeakPolarHBondContact O-CA 3.43Å; I89-F92 WeakPolarHBondContact O-CB 3.2Å; I89-F92 PolarHBondContact O-N 3.03Å; I89-E93 WeakPolarHBondContact CG2-OE1 3.21Å; I89-E93 WeakPolarHBondContact O-CG 3.07Å; I89-E93 PolarHBondContact O-N 3.15Å; I89-F150 HydrophobicContact CB-CB 4.45Å; I89-F150 HydrophobicContact CD1-CB 3.96Å; I89-F150 HydrophobicContact CG1-CB 3.73Å; I89-F150 HydrophobicContact CG1-CG 4.17Å; I89-F150 HydrophobicContact CG2-CB 3.93Å; I89-I157 HydrophobicContact CD1-CD1 3.63Å
90K94.6Very high92.5Very high46 Ų4650.8 Ų50.820%0.225%0.25CS..Hα-helixtrans-64.2-28.2176.9-66-45.6-176.6-167.10114.2Y86 E87 E93 K94 E154Y86-K90 HydrophobicContact CD1-CG 4.23Å; Y86-K90 HydrophobicContact CE1-CG 3.72Å; Y86-K90 HydrophobicContact CE2-CD 4.39Å; Y86-K90 HydrophobicContact CE2-CG 4.17Å; Y86-K90 VanDerWaalsContact CZ-CE 3.49Å; Y86-K90 PolarHBondContact O-N 3.32Å; Y86-K90 WeakPolarHBondContact OH-CE 3.37Å; E87-K90 PolarHBondContact O-N 3.22Å; K90-E93 WeakPolarHBondContact CD-OE2 3.43Å; K90-E93 VanDerWaalsContact NZ-CD 3.3Å; K90-E93 IonicContact NZ-OE1 3.43Å; K90-E93 PolarHBondContact NZ-OE1 2.8Å; K90-E93 IonicContact NZ-OE2 2.83Å; K90-E93 PolarHBondContact NZ-OE2 3.32Å; K90-K94 WeakPolarHBondContact O-CD 3.18Å; K90-K94 WeakPolarHBondContact O-CG 3.27Å; K90-E154 WeakPolarHBondContact CE-OE1 3.28Å; K90-E154 IonicContact NZ-OE1 3.65Å; K90-E154 PolarHBondContact NZ-OE1 2.76Å; K90-E154 IonicContact NZ-OE2 3.66Å; K90-E154 PolarHBondContact NZ-OE2 3.31Å
91K95.1Very high92.7Very high122 Ų12251.7 Ų51.753%0.5325%0.252SS..Hα-helixtrans-73.2-40.2170.3-175.7179.9175.6-169.70111.3E87 N88 I89 K94 F104E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 PolarHBondContact O-N 3.32Å; N88-K91 PolarHBondContact O-N 3.32Å; I89-K91 VanDerWaalsContact C-N 3.26Å; I89-K91 PolarHBondContact O-N 3.32Å; K91-K94 PolarHBondContact O-N 2.93Å; K91-F104 HydrophobicContact CB-CE1 3.99Å; K91-F104 HydrophobicContact CB-CZ 4.43Å; K91-F104 HydrophobicContact CD-CE1 3.98Å; K91-F104 HydrophobicContact CD-CZ 3.82Å; K91-F104 HydrophobicContact CG-CE1 3.93Å; K91-F104 HydrophobicContact CG-CZ 4.3Å
92F95.7Very high93Very high0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-62.2-44.9178.1171.2-86.4000112.2N88 I89 K94 L95 R101 F104 I108 L145 P146 A147 F150N88-F92 WeakPolarHBondContact O-CB 3.48Å; N88-F92 PolarHBondContact O-N 3.45Å; I89-F92 WeakPolarHBondContact O-CA 3.43Å; I89-F92 WeakPolarHBondContact O-CB 3.2Å; I89-F92 PolarHBondContact O-N 3.03Å; F92-K94 PolarHBondContact O-N 3.39Å; F92-K94 VanDerWaalsContact O-N 3.13Å; F92-L95 HydrophobicContact CD2-CD1 4.39Å; F92-L95 WeakPolarHBondContact O-CB 3.44Å; F92-L95 PolarHBondContact O-N 3.13Å; F92-R101 HydrophobicContact CD2-CB 4.47Å; F92-R101 HydrophobicContact CD2-CG 4.48Å; F92-R101 HydrophobicContact CE2-CB 3.73Å; F92-R101 HydrophobicContact CE2-CG 4.06Å; F92-R101 VanDerWaalsContact CE2-O 3.26Å; F92-R101 WeakPolarHBondContact CE2-O 3.45Å; F92-R101 HydrophobicContact CZ-CB 3.95Å; F92-R101 HydrophobicContact CZ-CG 4.12Å; F92-F104 HydrophobicContact CB-CD1 3.88Å; F92-F104 HydrophobicContact CB-CE1 4.07Å; F92-F104 HydrophobicContact CD2-CD1 4.23Å; F92-I108 HydrophobicContact CB-CD1 3.76Å; F92-I108 HydrophobicContact CD2-CD1 4.29Å; F92-I108 HydrophobicContact CG-CD1 4.3Å; F92-L145 HydrophobicContact CE2-CD2 3.74Å; F92-L145 HydrophobicContact CZ-CD2 3.65Å; F92-L145 HydrophobicContact CZ-CG 4.02Å; F92-P146 WeakPolarHBondContact CE1-O 3.32Å; F92-A147 WeakPolarHBondContact CE1-O 3.39Å; F92-F150 AromaticContact CD1-CD2 3.81Å; F92-F150 HydrophobicContact CD1-CD2 3.81Å; F92-F150 HydrophobicContact CD1-CE2 4.12Å; F92-F150 HydrophobicContact CD2-CD2 4.4Å; F92-F150 AromaticContact CD2-CE2 3.9Å; F92-F150 HydrophobicContact CD2-CE2 3.9Å; F92-F150 AromaticContact CE1-CD2 3.89Å; F92-F150 HydrophobicContact CE1-CD2 3.89Å; F92-F150 HydrophobicContact CE1-CE2 4.07Å; F92-F150 HydrophobicContact CE2-CD2 4.43Å; F92-F150 AromaticContact CE2-CE2 3.81Å; F92-F150 HydrophobicContact CE2-CE2 3.81Å; F92-F150 HydrophobicContact CG-CD2 4.09Å; F92-F150 HydrophobicContact CG-CE2 4.05Å; F92-F150 HydrophobicContact CZ-CD2 4.21Å; F92-F150 AromaticContact CZ-CE2 3.92Å; F92-F150 HydrophobicContact CZ-CE2 3.92Å
93E92.2Very high93.2Very high56 Ų5655.6 Ų55.626%0.26226%0.264SS..THydrogen-bonded Turntrans-57-28177.1-73.4168.7-165.600112.9I89 K90I89-E93 WeakPolarHBondContact CG2-OE1 3.21Å; I89-E93 WeakPolarHBondContact O-CG 3.07Å; I89-E93 PolarHBondContact O-N 3.15Å; K90-E93 WeakPolarHBondContact CD-OE2 3.43Å; K90-E93 VanDerWaalsContact NZ-CD 3.3Å; K90-E93 IonicContact NZ-OE1 3.43Å; K90-E93 PolarHBondContact NZ-OE1 2.8Å; K90-E93 IonicContact NZ-OE2 2.83Å; K90-E93 PolarHBondContact NZ-OE2 3.32Å
94K88.8Confident93.3Very high149 Ų14956.6 Ų56.665%0.64827%0.268SS*.THydrogen-bonded Turntrans-92.1-0.5-178-65.6177-175.1-177.30114K90 K91 F92K90-K94 WeakPolarHBondContact O-CD 3.18Å; K90-K94 WeakPolarHBondContact O-CG 3.27Å; K91-K94 PolarHBondContact O-N 2.93Å; F92-K94 PolarHBondContact O-N 3.39Å; F92-K94 VanDerWaalsContact O-N 3.13Å
95L90.5Very high93.5Very high34 Ų3454 Ų5418%0.17825%0.253CS..  trans-72.2136.4178.7-70.3176.3000111F92 E100 R101 F104F92-L95 HydrophobicContact CD2-CD1 4.39Å; F92-L95 WeakPolarHBondContact O-CB 3.44Å; F92-L95 PolarHBondContact O-N 3.13Å; L95-E100 HydrophobicContact CB-CB 4.37Å; L95-E100 HydrophobicContact CD1-CB 4.2Å; L95-E100 HydrophobicContact CD2-CB 4.33Å; L95-R101 HydrophobicContact CB-CG 3.73Å; L95-R101 HydrophobicContact CD1-CG 4.21Å; L95-R101 PolarHBondContact O-NH1 3.5Å; L95-F104 HydrophobicContact CD1-CB 3.61Å; L95-F104 HydrophobicContact CD1-CD1 3.6Å; L95-F104 HydrophobicContact CD1-CG 3.98Å
96D83.1Confident93.5Very high47 Ų4758.7 Ų58.725%0.25127%0.27SS..SBendtrans-71.2-46.9-172.2-71.5-46.5000111.6R101 Q465 L468D96-R101 PolarHBondContact O-NH1 2.94Å; D96-R101 VanDerWaalsContact O-NH1 3.1Å; D96-Q465 PolarHBondContact OD1-NE2 2.95Å; D96-L468 WeakPolarHBondContact OD1-CD1 3.43Å
97T87.5Confident93.5Very high63 Ų6361 Ų6139%0.38728%0.282SS..  trans-109.2150.1-169.167.60000113.7E99 E100 R101T97-E99 PolarHBondContact O-N 3.36Å; T97-E100 PolarHBondContact N-OE2 3.17Å; T97-E100 VanDerWaalsContact N-OE2 3.15Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CB 3.01Å; T97-E100 VanDerWaalsContact OG1-CD 3.25Å; T97-E100 WeakPolarHBondContact OG1-CG 3.46Å; T97-E100 PolarHBondContact OG1-N 3.45Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; T97-E100 PolarHBondContact OG1-OE2 3.32Å; T97-R101 WeakPolarHBondContact O-CG 3.48Å; T97-R101 PolarHBondContact O-N 3.44Å
98D90.5Very high93.4Very high50 Ų5058.7 Ų58.727%0.26727%0.271SS..Hα-helixtrans-59-32.7171.3-80.5-49.8000111.7R101 I102 K143 L145D98-R101 PolarHBondContact O-N 3.23Å; D98-R101 IonicContact OD1-CZ 3.17Å; D98-R101 IonicContact OD1-NE 3.69Å; D98-R101 IonicContact OD1-NH2 2.89Å; D98-R101 PolarHBondContact OD1-NH2 2.96Å; D98-R101 IonicContact OD2-NH2 3.59Å; D98-I102 WeakPolarHBondContact O-CB 3.3Å; D98-I102 WeakPolarHBondContact O-CD1 3.22Å; D98-I102 WeakPolarHBondContact O-CG1 3.44Å; D98-I102 PolarHBondContact O-N 2.85Å; D98-K143 WeakPolarHBondContact CB-O 3.43Å; D98-L145 PolarHBondContact OD1-N 3.07Å
99E92.4Very high93.2Very high160 Ų16058.2 Ų58.275%0.74827%0.267SS*.Hα-helixtrans-66.2-47.5178.7-174.8172-173.200111.8T97 R101 I102 K103T97-E99 PolarHBondContact O-N 3.36Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-I102 PolarHBondContact O-N 3.4Å; E99-K103 PolarHBondContact O-N 3.46Å
100E94.1Very high93Very high86 Ų8662.7 Ų62.740%0.40229%0.291SS..Hα-helixtrans-62.2-42.8173.8-71.3165.914200111.2L95 T97 K103 F104L95-E100 HydrophobicContact CB-CB 4.37Å; L95-E100 HydrophobicContact CD1-CB 4.2Å; L95-E100 HydrophobicContact CD2-CB 4.33Å; T97-E100 PolarHBondContact N-OE2 3.17Å; T97-E100 VanDerWaalsContact N-OE2 3.15Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CB 3.01Å; T97-E100 VanDerWaalsContact OG1-CD 3.25Å; T97-E100 WeakPolarHBondContact OG1-CG 3.46Å; T97-E100 PolarHBondContact OG1-N 3.45Å; T97-E100 VanDerWaalsContact OG1-N 3.13Å; T97-E100 PolarHBondContact OG1-OE2 3.32Å; E100-K103 PolarHBondContact O-N 3.23Å; E100-F104 VanDerWaalsContact O-CB 3.32Å; E100-F104 WeakPolarHBondContact O-CB 3.4Å; E100-F104 PolarHBondContact O-N 3.4Å
101R95.2Very high92.7Very high32 Ų3265.5 Ų65.512%0.12131%0.305CS..Hα-helixtrans-59.5-48.1175.4-74.7-170.4-64.6-892.7111F92 L95 D96 T97 D98 E99 K103 F104 G105 L145F92-R101 HydrophobicContact CD2-CB 4.47Å; F92-R101 HydrophobicContact CD2-CG 4.48Å; F92-R101 HydrophobicContact CE2-CB 3.73Å; F92-R101 HydrophobicContact CE2-CG 4.06Å; F92-R101 VanDerWaalsContact CE2-O 3.26Å; F92-R101 WeakPolarHBondContact CE2-O 3.45Å; F92-R101 HydrophobicContact CZ-CB 3.95Å; F92-R101 HydrophobicContact CZ-CG 4.12Å; L95-R101 HydrophobicContact CB-CG 3.73Å; L95-R101 HydrophobicContact CD1-CG 4.21Å; L95-R101 PolarHBondContact O-NH1 3.5Å; D96-R101 PolarHBondContact O-NH1 2.94Å; D96-R101 VanDerWaalsContact O-NH1 3.1Å; T97-R101 WeakPolarHBondContact O-CG 3.48Å; T97-R101 PolarHBondContact O-N 3.44Å; D98-R101 PolarHBondContact O-N 3.23Å; D98-R101 IonicContact OD1-CZ 3.17Å; D98-R101 IonicContact OD1-NE 3.69Å; D98-R101 IonicContact OD1-NH2 2.89Å; D98-R101 PolarHBondContact OD1-NH2 2.96Å; D98-R101 IonicContact OD2-NH2 3.59Å; E99-R101 VanDerWaalsContact C-N 3.34Å; R101-K103 VanDerWaalsContact C-N 3.32Å; R101-K103 PolarHBondContact O-N 2.99Å; R101-F104 PolarHBondContact O-N 3.06Å; R101-G105 WeakPolarHBondContact O-CA 3.49Å; R101-G105 PolarHBondContact O-N 3.5Å; R101-L145 HydrophobicContact CB-CB 4.35Å; R101-L145 HydrophobicContact CB-CD2 4.32Å; R101-L145 WeakPolarHBondContact CD-O 3.37Å; R101-L145 PolarHBondContact NE-O 2.94Å
102I95.8Very high92.3Very high21 Ų2160.7 Ų60.711%0.10828%0.284CS..Hα-helixtrans-60.2-43.1179.2-71.4164.6000111.4D98 E99 R106 L145D98-I102 WeakPolarHBondContact O-CB 3.3Å; D98-I102 WeakPolarHBondContact O-CD1 3.22Å; D98-I102 WeakPolarHBondContact O-CG1 3.44Å; D98-I102 PolarHBondContact O-N 2.85Å; E99-I102 PolarHBondContact O-N 3.4Å; I102-R106 WeakPolarHBondContact O-CG 3.34Å; I102-R106 PolarHBondContact O-N 2.95Å; I102-L145 HydrophobicContact CG1-CB 3.76Å; I102-L145 HydrophobicContact CG1-CD2 4.33Å
103K95.8Very high91.8Very high141 Ų14160.7 Ų60.761%0.61328%0.284SS*.Hα-helixtrans-65-54.1178.3-177-177.2173.7-173.20111.2E99 E100 R101 R106 E107E99-K103 PolarHBondContact O-N 3.46Å; E100-K103 PolarHBondContact O-N 3.23Å; R101-K103 VanDerWaalsContact C-N 3.32Å; R101-K103 PolarHBondContact O-N 2.99Å; K103-R106 PolarHBondContact O-N 3.45Å; K103-E107 WeakPolarHBondContact CE-OE1 3.33Å; K103-E107 PolarHBondContact O-N 3.48Å
104F96.5Very high91.3Very high22 Ų2261.2 Ų61.210%0.09629%0.288CS..Hα-helixtrans-70.4-34.7-175.5-168.9-130.1000112.3N88 K91 F92 L95 E100 R101 R106 E107 I108N88-F104 HydrophobicContact CB-CZ 4.27Å; N88-F104 WeakPolarHBondContact O-CE1 3.3Å; K91-F104 HydrophobicContact CB-CE1 3.99Å; K91-F104 HydrophobicContact CB-CZ 4.43Å; K91-F104 HydrophobicContact CD-CE1 3.98Å; K91-F104 HydrophobicContact CD-CZ 3.82Å; K91-F104 HydrophobicContact CG-CE1 3.93Å; K91-F104 HydrophobicContact CG-CZ 4.3Å; F92-F104 HydrophobicContact CB-CD1 3.88Å; F92-F104 HydrophobicContact CB-CE1 4.07Å; F92-F104 HydrophobicContact CD2-CD1 4.23Å; L95-F104 HydrophobicContact CD1-CB 3.61Å; L95-F104 HydrophobicContact CD1-CD1 3.6Å; L95-F104 HydrophobicContact CD1-CG 3.98Å; E100-F104 VanDerWaalsContact O-CB 3.32Å; E100-F104 WeakPolarHBondContact O-CB 3.4Å; E100-F104 PolarHBondContact O-N 3.4Å; R101-F104 PolarHBondContact O-N 3.06Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.36Å; F104-E107 HydrophobicContact CD2-CB 4.33Å; F104-E107 WeakPolarHBondContact O-CB 3.32Å; F104-E107 PolarHBondContact O-N 3.31Å; F104-E107 VanDerWaalsContact O-N 3.12Å; F104-I108 HydrophobicContact CD1-CD1 3.89Å; F104-I108 HydrophobicContact CD1-CG1 4.44Å; F104-I108 HydrophobicContact CE1-CD1 3.72Å; F104-I108 HydrophobicContact CE1-CG1 4.25Å; F104-I108 HydrophobicContact CE2-CG1 4.4Å; F104-I108 HydrophobicContact CG-CD1 4.49Å; F104-I108 HydrophobicContact CZ-CD1 4.15Å; F104-I108 HydrophobicContact CZ-CG1 4.2Å; F104-I108 WeakPolarHBondContact O-CG1 3.45Å; F104-I108 PolarHBondContact O-N 3.33Å
105G96.1Very high90.8Very high0 Ų061.4 Ų61.40%029%0.289CS..Hα-helixtrans-60.5-37.3174.500000112.7R101 Y109R101-G105 WeakPolarHBondContact O-CA 3.49Å; R101-G105 PolarHBondContact O-N 3.5Å; G105-Y109 WeakPolarHBondContact O-CB 3.35Å; G105-Y109 PolarHBondContact O-N 2.96Å
106R94.4Very high90Very high100 Ų10062 Ų6238%0.37729%0.29SS..Hα-helixtrans-67.7-43.6170.8-73-179.3-172.1-119.820.5112.3I102 K103 F104 I108 Y109 D110 Q140I102-R106 WeakPolarHBondContact O-CG 3.34Å; I102-R106 PolarHBondContact O-N 2.95Å; K103-R106 PolarHBondContact O-N 3.45Å; F104-R106 VanDerWaalsContact C-N 3.3Å; F104-R106 PolarHBondContact O-N 3.36Å; R106-I108 VanDerWaalsContact C-N 3.27Å; R106-I108 PolarHBondContact O-N 2.74Å; R106-Y109 PolarHBondContact O-N 2.83Å; R106-Y109 VanDerWaalsContact O-N 3.17Å; R106-D110 WeakPolarHBondContact O-CB 3.39Å; R106-D110 PolarHBondContact O-N 2.71Å; R106-Q140 VanDerWaalsContact NH1-NE2 3.16Å; R106-Q140 VanDerWaalsContact NH2-OE1 3.09Å
107E95.6Very high89.5Confident74 Ų7462.6 Ų62.635%0.34629%0.293SS..Hα-helixtrans-58.3-42.2176.3-68.6174.7-166.900111.1K103 F104 Q111K103-E107 WeakPolarHBondContact CE-OE1 3.33Å; K103-E107 PolarHBondContact O-N 3.48Å; F104-E107 HydrophobicContact CD2-CB 4.33Å; F104-E107 WeakPolarHBondContact O-CB 3.32Å; F104-E107 PolarHBondContact O-N 3.31Å; F104-E107 VanDerWaalsContact O-N 3.12Å; E107-Q111 VanDerWaalsContact O-CB 3.25Å; E107-Q111 WeakPolarHBondContact O-CB 3.5Å; E107-Q111 WeakPolarHBondContact O-CG 3.47Å; E107-Q111 PolarHBondContact O-N 2.98Å
108I94.6Very high89Confident0 Ų065.5 Ų65.50%031%0.306CS..Hα-helixtrans-60.6-49.6174-70.7176.2000111F85 N88 F92 F104 R106 D110 Q111 H112 F150F85-I108 HydrophobicContact CD2-CG2 3.96Å; F85-I108 HydrophobicContact CE2-CG2 3.39Å; F85-I108 HydrophobicContact CZ-CG2 4.37Å; N88-I108 HydrophobicContact CB-CD1 4.02Å; N88-I108 HydrophobicContact CB-CG1 4.01Å; N88-I108 WeakPolarHBondContact O-CD1 3.28Å; F92-I108 HydrophobicContact CB-CD1 3.76Å; F92-I108 HydrophobicContact CD2-CD1 4.29Å; F92-I108 HydrophobicContact CG-CD1 4.3Å; F104-I108 HydrophobicContact CD1-CD1 3.89Å; F104-I108 HydrophobicContact CD1-CG1 4.44Å; F104-I108 HydrophobicContact CE1-CD1 3.72Å; F104-I108 HydrophobicContact CE1-CG1 4.25Å; F104-I108 HydrophobicContact CE2-CG1 4.4Å; F104-I108 HydrophobicContact CG-CD1 4.49Å; F104-I108 HydrophobicContact CZ-CD1 4.15Å; F104-I108 HydrophobicContact CZ-CG1 4.2Å; F104-I108 WeakPolarHBondContact O-CG1 3.45Å; F104-I108 PolarHBondContact O-N 3.33Å; R106-I108 VanDerWaalsContact C-N 3.27Å; R106-I108 PolarHBondContact O-N 2.74Å; I108-D110 PolarHBondContact O-N 3.16Å; I108-Q111 PolarHBondContact O-N 2.71Å; I108-H112 WeakPolarHBondContact O-CB 3.43Å; I108-H112 PolarHBondContact O-N 3.38Å; I108-F150 HydrophobicContact CB-CZ 4.1Å; I108-F150 HydrophobicContact CD1-CE2 4.25Å; I108-F150 HydrophobicContact CG2-CD1 4.34Å; I108-F150 HydrophobicContact CG2-CE1 3.78Å; I108-F150 HydrophobicContact CG2-CE2 4.38Å; I108-F150 HydrophobicContact CG2-CZ 3.82Å
109Y92.6Very high88.2Confident19 Ų1966.1 Ų66.18%0.07531%0.314CS..Iπ-helixtrans-60.4-45.1-179.2-176.2-94.9000112.1G105 R106 I113 M114 V132 H133 L136G105-Y109 WeakPolarHBondContact O-CB 3.35Å; G105-Y109 PolarHBondContact O-N 2.96Å; R106-Y109 PolarHBondContact O-N 2.83Å; R106-Y109 VanDerWaalsContact O-N 3.17Å; Y109-I113 HydrophobicContact CD2-CB 3.96Å; Y109-I113 HydrophobicContact CD2-CD1 3.57Å; Y109-I113 HydrophobicContact CD2-CG1 4.35Å; Y109-I113 HydrophobicContact CD2-CG2 4.03Å; Y109-I113 HydrophobicContact CE2-CB 4.17Å; Y109-I113 HydrophobicContact CE2-CD1 4.21Å; Y109-I113 HydrophobicContact CE2-CG2 3.72Å; Y109-I113 HydrophobicContact CG-CB 4.41Å; Y109-I113 HydrophobicContact CG-CD1 4.36Å; Y109-I113 CarbonylContact O-C 3.59Å; Y109-I113 WeakPolarHBondContact O-CA 3.19Å; Y109-I113 WeakPolarHBondContact O-CB 3.48Å; Y109-I113 PolarHBondContact O-N 2.74Å; Y109-M114 HydrophobicContact CE1-CB 4.48Å; Y109-M114 HydrophobicContact CE1-CE 3.59Å; Y109-M114 PolarHBondContact O-N 2.83Å; Y109-V132 HydrophobicContact CD2-CG1 4.32Å; Y109-H133 HydrophobicContact CE2-CB 4.28Å; Y109-H133 AromaticContact CZ-ND1 3.63Å; Y109-H133 PolarHBondContact OH-ND1 3.39Å; Y109-H133 VanDerWaalsContact OH-ND1 3.13Å; Y109-L136 HydrophobicContact CD2-CD1 3.69Å; Y109-L136 HydrophobicContact CG-CD1 3.71Å
110D91.4Very high86.8Confident95 Ų9566.6 Ų66.651%0.50832%0.316SS..Iπ-helixtrans-67.9-41.4-180-68.2-19.4000111.8R106 I108R106-D110 WeakPolarHBondContact O-CB 3.39Å; R106-D110 PolarHBondContact O-N 2.71Å; I108-D110 PolarHBondContact O-N 3.16Å
111Q89.4Confident85.4Confident104 Ų10468.5 Ų68.549%0.48633%0.329SS..Iπ-helixtrans-71.6-44.8-177-73.9174.815.700113.3E107 I108E107-Q111 VanDerWaalsContact O-CB 3.25Å; E107-Q111 WeakPolarHBondContact O-CB 3.5Å; E107-Q111 WeakPolarHBondContact O-CG 3.47Å; E107-Q111 PolarHBondContact O-N 2.98Å; I108-Q111 PolarHBondContact O-N 2.71Å
112H86.8Confident83.9Confident22 Ų2269 Ų6910%0.10233%0.332CS..Iπ-helixtrans-106.3-33.2-168.3-65.6-67.9000113.6F85 N88 I108 E116F85-H112 HydrophobicContact CB-CB 4.33Å; F85-H112 HydrophobicContact CD1-CB 3.86Å; F85-H112 HydrophobicContact CD2-CB 3.82Å; F85-H112 AromaticContact CD2-CD2 3.72Å; F85-H112 AromaticContact CD2-CG 3.75Å; F85-H112 HydrophobicContact CE1-CB 4.12Å; F85-H112 HydrophobicContact CE2-CB 4.11Å; F85-H112 HydrophobicContact CG-CB 3.73Å; F85-H112 AromaticContact CG-CG 3.7Å; F85-H112 HydrophobicContact CZ-CB 4.26Å; N88-H112 PolarHBondContact ND2-NE2 3.39Å; I108-H112 WeakPolarHBondContact O-CB 3.43Å; I108-H112 PolarHBondContact O-N 3.38Å; H112-E116 WeakPolarHBondContact O-CG 3.28Å
113I83.8Confident82.9Confident0 Ų076 Ų760%036%0.362CS..Iπ-helixtrans-99.3-57.1-172.2-59.2166.7000110.4F85 Y109 K115 E116 L117 V129 V132 F150 Y153F85-I113 HydrophobicContact CE1-CG1 4.2Å; F85-I113 HydrophobicContact CZ-CD1 3.95Å; F85-I113 HydrophobicContact CZ-CG1 3.91Å; Y109-I113 HydrophobicContact CD2-CB 3.96Å; Y109-I113 HydrophobicContact CD2-CD1 3.57Å; Y109-I113 HydrophobicContact CD2-CG1 4.35Å; Y109-I113 HydrophobicContact CD2-CG2 4.03Å; Y109-I113 HydrophobicContact CE2-CB 4.17Å; Y109-I113 HydrophobicContact CE2-CD1 4.21Å; Y109-I113 HydrophobicContact CE2-CG2 3.72Å; Y109-I113 HydrophobicContact CG-CB 4.41Å; Y109-I113 HydrophobicContact CG-CD1 4.36Å; Y109-I113 CarbonylContact O-C 3.59Å; Y109-I113 WeakPolarHBondContact O-CA 3.19Å; Y109-I113 WeakPolarHBondContact O-CB 3.48Å; Y109-I113 PolarHBondContact O-N 2.74Å; I113-K115 VanDerWaalsContact C-N 3.34Å; I113-K115 PolarHBondContact O-N 3.06Å; I113-E116 PolarHBondContact O-N 3.06Å; I113-L117 HydrophobicContact CG2-CD1 3.81Å; I113-L117 HydrophobicContact CG2-CG 4.37Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 2.71Å; I113-V129 HydrophobicContact CG2-CG1 4.35Å; I113-V132 HydrophobicContact CD1-CG1 4.46Å; I113-F150 HydrophobicContact CD1-CE1 4.25Å; I113-Y153 HydrophobicContact CD1-CD2 4.07Å; I113-Y153 HydrophobicContact CD1-CE1 4.27Å; I113-Y153 HydrophobicContact CD1-CE2 3.34Å; I113-Y153 VanDerWaalsContact CD1-CZ 3.46Å; I113-Y153 WeakPolarHBondContact CD1-OH 3.32Å; I113-Y153 HydrophobicContact CG1-CE1 4.21Å; I113-Y153 HydrophobicContact CG1-CE2 4.17Å; I113-Y153 VanDerWaalsContact CG2-OH 3.31Å; I113-Y153 WeakPolarHBondContact CG2-OH 3.2Å
114M83.2Confident82.4Confident67 Ų6770.1 Ų70.133%0.3334%0.337SS..Iπ-helixtrans-60.7-43.3-176.3-175.659.369.400111.7Y109 E116 L117 L118Y109-M114 HydrophobicContact CE1-CB 4.48Å; Y109-M114 HydrophobicContact CE1-CE 3.59Å; Y109-M114 PolarHBondContact O-N 2.83Å; M114-E116 VanDerWaalsContact C-N 3.34Å; M114-E116 PolarHBondContact O-N 2.89Å; M114-L117 PolarHBondContact O-N 2.81Å; M114-L118 HydrophobicContact CG-CD1 4.09Å; M114-L118 HydrophobicContact CG-CG 4.49Å; M114-L118 VanDerWaalsContact O-CG 3.26Å; M114-L118 WeakPolarHBondContact O-CG 3.4Å; M114-L118 PolarHBondContact O-N 3.02Å; M114-L118 HydrophobicContact SD-CD1 4.38Å; M114-L118 HydrophobicContact SD-CG 4.3Å
115K77.7Confident82Confident153 Ų15371 Ų7167%0.66535%0.345SS*.Hα-helixtrans-61.5-41.2179.2-167.7-179.4178.2-1750112.3I113 S119I113-K115 VanDerWaalsContact C-N 3.34Å; I113-K115 PolarHBondContact O-N 3.06Å; K115-S119 PolarHBondContact O-N 2.66Å
116E74.6Confident81.5Confident45 Ų4578.6 Ų78.621%0.2138%0.378CS..Hα-helixtrans-70.6-41.7177.2-74.6-166176.900112.2H112 I113 M114 L118 S119 H120 F124H112-E116 WeakPolarHBondContact O-CG 3.28Å; I113-E116 PolarHBondContact O-N 3.06Å; M114-E116 VanDerWaalsContact C-N 3.34Å; M114-E116 PolarHBondContact O-N 2.89Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.94Å; E116-S119 WeakPolarHBondContact CA-OG 3.4Å; E116-S119 PolarHBondContact O-N 2.99Å; E116-S119 PolarHBondContact O-OG 2.96Å; E116-H120 PolarHBondContact O-N 3.3Å; E116-F124 WeakPolarHBondContact OE2-CE2 3.35Å
117L72.7Confident81.3Confident60 Ų6077.8 Ų77.831%0.31439%0.388SS..Hα-helixtrans-55.8-45.6174.1-74.2169.7000111.6I113 M114 S119 H120 H122 V129I113-L117 HydrophobicContact CG2-CD1 3.81Å; I113-L117 HydrophobicContact CG2-CG 4.37Å; I113-L117 WeakPolarHBondContact O-CG 3.45Å; I113-L117 PolarHBondContact O-N 2.71Å; M114-L117 PolarHBondContact O-N 2.81Å; L117-S119 VanDerWaalsContact C-N 3.27Å; L117-S119 PolarHBondContact O-N 3.34Å; L117-H120 PolarHBondContact O-N 3.37Å; L117-H122 HydrophobicContact CD2-CB 4.21Å; L117-H122 VanDerWaalsContact CD2-CD2 3.47Å; L117-H122 WeakPolarHBondContact CD2-CD2 3.39Å; L117-V129 HydrophobicContact CD1-CG1 3.87Å; L117-V129 HydrophobicContact CD2-CG1 4.48Å; L117-V129 HydrophobicContact CD2-CG2 4.48Å
118L75.1Confident81.1Confident125 Ų12574.5 Ų74.565%0.65437%0.373SS*.Hα-helixtrans-64.8-32.7177.3-67.8171.7000112.2M114 E116 H120M114-L118 HydrophobicContact CG-CD1 4.09Å; M114-L118 HydrophobicContact CG-CG 4.49Å; M114-L118 VanDerWaalsContact O-CG 3.26Å; M114-L118 WeakPolarHBondContact O-CG 3.4Å; M114-L118 PolarHBondContact O-N 3.02Å; M114-L118 HydrophobicContact SD-CD1 4.38Å; M114-L118 HydrophobicContact SD-CG 4.3Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.94Å; L118-H120 VanDerWaalsContact C-N 3.28Å; L118-H120 PolarHBondContact O-N 3.25Å; L118-H120 PolarHBondContact O-ND1 3.32Å
119S74.1Confident80.9Confident62 Ų6275 Ų7543%0.43438%0.376SS..Hα-helixtrans-76.7-8179.377.40000115K115 E116 L117 N121K115-S119 PolarHBondContact O-N 2.66Å; E116-S119 WeakPolarHBondContact CA-OG 3.4Å; E116-S119 PolarHBondContact O-N 2.99Å; E116-S119 PolarHBondContact O-OG 2.96Å; L117-S119 VanDerWaalsContact C-N 3.27Å; L117-S119 PolarHBondContact O-N 3.34Å; S119-N121 PolarHBondContact O-N 3.33Å; S119-N121 PolarHBondContact OG-N 3.06Å
120H63.4Low80.9Confident170 Ų17078.2 Ų78.279%0.78739%0.394SS*.THydrogen-bonded Turntrans58.99.7-174.4-62.456.1000115.1E116 L117 L118 H122E116-H120 PolarHBondContact O-N 3.3Å; L117-H120 PolarHBondContact O-N 3.37Å; L118-H120 VanDerWaalsContact C-N 3.28Å; L118-H120 PolarHBondContact O-N 3.25Å; L118-H120 PolarHBondContact O-ND1 3.32Å; H120-H122 VanDerWaalsContact C-N 3.35Å
121N64.5Low81Confident126 Ų12677.2 Ų77.267%0.67439%0.387SS*.  trans-9616.9174.3-77.9-20.1000113S119 K123S119-N121 PolarHBondContact O-N 3.33Å; S119-N121 PolarHBondContact OG-N 3.06Å; N121-K123 PolarHBondContact O-N 3.25Å
122H63.9Low81.2Confident42 Ų4272.3 Ų72.319%0.19436%0.364CS..  trans-67.3115.9-172-175-80.2000111.8L117 H120 F124 V129L117-H122 HydrophobicContact CD2-CB 4.21Å; L117-H122 VanDerWaalsContact CD2-CD2 3.47Å; L117-H122 WeakPolarHBondContact CD2-CD2 3.39Å; H120-H122 VanDerWaalsContact C-N 3.35Å; H122-F124 VanDerWaalsContact CE1-C 3.48Å; H122-F124 WeakPolarHBondContact CE1-CB 3.26Å; H122-F124 PolarHBondContact CE1-O 2.74Å; H122-F124 PolarHBondContact ND1-N 3.1Å; H122-F124 PolarHBondContact ND1-O 3.21Å; H122-F124 AromaticContact NE2-CD2 3.88Å; H122-V129 WeakPolarHBondContact CE1-CG2 3.41Å; H122-V129 VanDerWaalsContact NE2-CG2 3.29Å; H122-V129 WeakPolarHBondContact NE2-CG2 3.46Å
123K75.9Confident81.5Confident168 Ų16875.4 Ų75.473%0.7338%0.378SS*.  trans-90.5-15.6-177.8-67.4-174.3179.4-179.10114.1N121N121-K123 PolarHBondContact O-N 3.25Å
124F83.6Confident82Confident19 Ų1981.2 Ų81.28%0.08341%0.405CS..SBendtrans-80.7157.1-177.4-50.4-78.6000112.8F85 E116 H122 Y153 E156 I157F85-F124 HydrophobicContact CD1-CE2 4.33Å; F85-F124 HydrophobicContact CD1-CZ 4.06Å; F85-F124 HydrophobicContact CE1-CE2 4.2Å; F85-F124 HydrophobicContact CE1-CZ 4.14Å; E116-F124 WeakPolarHBondContact OE2-CE2 3.35Å; H122-F124 VanDerWaalsContact CE1-C 3.48Å; H122-F124 WeakPolarHBondContact CE1-CB 3.26Å; H122-F124 PolarHBondContact CE1-O 2.74Å; H122-F124 PolarHBondContact ND1-N 3.1Å; H122-F124 PolarHBondContact ND1-O 3.21Å; H122-F124 AromaticContact NE2-CD2 3.88Å; F124-Y153 HydrophobicContact CB-CD1 4.2Å; F124-Y153 HydrophobicContact CB-CE1 3.64Å; F124-Y153 AromaticContact CD1-CD1 3.84Å; F124-Y153 HydrophobicContact CD1-CD1 3.84Å; F124-Y153 HydrophobicContact CD1-CE1 4.08Å; F124-Y153 HydrophobicContact CD2-CD1 4.23Å; F124-Y153 AromaticContact CD2-CE1 3.8Å; F124-Y153 HydrophobicContact CD2-CE1 3.8Å; F124-Y153 HydrophobicContact CE1-CD1 4.24Å; F124-Y153 HydrophobicContact CE2-CE1 4.46Å; F124-Y153 AromaticContact CG-CD1 3.84Å; F124-Y153 HydrophobicContact CG-CD1 3.84Å; F124-Y153 AromaticContact CG-CE1 3.57Å; F124-Y153 HydrophobicContact CG-CE1 3.57Å; F124-E156 WeakPolarHBondContact CA-OE2 3.42Å; F124-E156 VanDerWaalsContact CB-OE2 3.28Å; F124-E156 WeakPolarHBondContact CB-OE2 3.23Å; F124-E156 HydrophobicContact CD1-CB 3.92Å; F124-E156 HydrophobicContact CE1-CB 4.4Å; F124-I157 HydrophobicContact CE1-CG1 3.67Å; F124-I157 HydrophobicContact CZ-CG1 3.97Å
125S88.1Confident82.6Confident40 Ų4080.2 Ų80.228%0.2840%0.401SS..  trans-68.6144-178.179.20000112S127 T128 V129 E156S125-S127 VanDerWaalsContact C-N 3.28Å; S125-S127 PolarHBondContact O-N 3.36Å; S125-S127 PolarHBondContact OG-OG 3.34Å; S125-S127 VanDerWaalsContact OG-OG 3.08Å; S125-T128 PolarHBondContact O-N 3.43Å; S125-T128 WeakPolarHBondContact OG-CB 3.44Å; S125-T128 PolarHBondContact OG-N 3.36Å; S125-T128 PolarHBondContact OG-OG1 3.38Å; S125-V129 WeakPolarHBondContact O-CG2 3.34Å; S125-V129 PolarHBondContact O-N 2.85Å; S125-E156 VanDerWaalsContact CB-OE1 3.27Å; S125-E156 WeakPolarHBondContact CB-OE1 3.46Å; S125-E156 PolarHBondContact N-OE2 3.34Å; S125-E156 PolarHBondContact OG-OE1 3.47Å
126K85.9Confident83.4Confident159 Ų15973.3 Ų73.369%0.69137%0.371SS*.Hα-helixtrans-60.9-38.2178.7-173.8179.5177-177.40112.1T128 V129 D130K126-T128 VanDerWaalsContact C-N 3.3Å; K126-T128 PolarHBondContact O-N 3.05Å; K126-V129 PolarHBondContact O-N 2.85Å; K126-D130 WeakPolarHBondContact O-CB 3.32Å; K126-D130 VanDerWaalsContact O-CG 3.27Å; K126-D130 PolarHBondContact O-N 3.4Å
127S90.6Very high84.3Confident83 Ų8373.7 Ų73.758%0.5838%0.377SS*.Hα-helixtrans-58.8-41.1176.441.80000112.6S125 H131S125-S127 VanDerWaalsContact C-N 3.28Å; S125-S127 PolarHBondContact O-N 3.36Å; S125-S127 PolarHBondContact OG-OG 3.34Å; S125-S127 VanDerWaalsContact OG-OG 3.08Å; S127-H131 WeakPolarHBondContact O-CB 3.42Å; S127-H131 PolarHBondContact O-N 3.18Å
128T92.1Very high85.3Confident6 Ų674 Ų744%0.03738%0.381CS..Hα-helixtrans-67.5-43.3179.2-64.50000111.2S125 K126 H131 V132 L152 Y153 E156S125-T128 PolarHBondContact O-N 3.43Å; S125-T128 WeakPolarHBondContact OG-CB 3.44Å; S125-T128 PolarHBondContact OG-N 3.36Å; S125-T128 PolarHBondContact OG-OG1 3.38Å; K126-T128 VanDerWaalsContact C-N 3.3Å; K126-T128 PolarHBondContact O-N 3.05Å; T128-H131 PolarHBondContact O-N 3.12Å; T128-V132 PolarHBondContact O-N 2.9Å; T128-V132 VanDerWaalsContact O-N 3.1Å; T128-L152 HydrophobicContact CG2-CB 3.72Å; T128-Y153 HydrophobicContact CG2-CD1 3.8Å; T128-Y153 HydrophobicContact CG2-CD2 3.58Å; T128-Y153 HydrophobicContact CG2-CE1 3.87Å; T128-Y153 HydrophobicContact CG2-CE2 3.64Å; T128-Y153 HydrophobicContact CG2-CG 3.66Å; T128-E156 WeakPolarHBondContact CB-OE1 3.23Å; T128-E156 PolarHBondContact OG1-OE1 2.84Å
129V90.4Very high86.3Confident10 Ų1068.1 Ų68.16%0.06135%0.35CS..Hα-helixtrans-58.5-50.8174.71780000111.2I113 L117 H122 S125 K126 H131 V132 H133 Y153I113-V129 HydrophobicContact CG2-CG1 4.35Å; L117-V129 HydrophobicContact CD1-CG1 3.87Å; L117-V129 HydrophobicContact CD2-CG1 4.48Å; L117-V129 HydrophobicContact CD2-CG2 4.48Å; H122-V129 WeakPolarHBondContact CE1-CG2 3.41Å; H122-V129 VanDerWaalsContact NE2-CG2 3.29Å; H122-V129 WeakPolarHBondContact NE2-CG2 3.46Å; S125-V129 WeakPolarHBondContact O-CG2 3.34Å; S125-V129 PolarHBondContact O-N 2.85Å; K126-V129 PolarHBondContact O-N 2.85Å; V129-H131 VanDerWaalsContact C-N 3.33Å; V129-H131 PolarHBondContact O-N 3.41Å; V129-V132 PolarHBondContact O-N 3.29Å; V129-H133 VanDerWaalsContact O-CB 3.3Å; V129-H133 WeakPolarHBondContact O-CB 3.47Å; V129-H133 PolarHBondContact O-N 2.86Å; V129-Y153 VanDerWaalsContact CA-OH 3.31Å; V129-Y153 WeakPolarHBondContact CA-OH 3.31Å; V129-Y153 WeakPolarHBondContact CG2-OH 3.41Å
130D91.4Very high87.1Confident86 Ų8669.1 Ų69.146%0.4635%0.348SS..Hα-helixtrans-63.4-41.5-176-70-19.3000110.5K126 H133 E134K126-D130 WeakPolarHBondContact O-CB 3.32Å; K126-D130 VanDerWaalsContact O-CG 3.27Å; K126-D130 PolarHBondContact O-N 3.4Å; D130-H133 PolarHBondContact O-N 3.35Å; D130-E134 WeakPolarHBondContact O-CB 3.35Å; D130-E134 PolarHBondContact O-N 3.27Å
131H93.5Very high88.4Confident75 Ų7569.7 Ų69.735%0.34735%0.348SS..Hα-helixtrans-61.6-49.9177.8-176.563.1000112.8S127 T128 V129 H133 E134 L135 L152S127-H131 WeakPolarHBondContact O-CB 3.42Å; S127-H131 PolarHBondContact O-N 3.18Å; T128-H131 PolarHBondContact O-N 3.12Å; V129-H131 VanDerWaalsContact C-N 3.33Å; V129-H131 PolarHBondContact O-N 3.41Å; H131-H133 PolarHBondContact O-N 2.93Å; H131-E134 WeakPolarHBondContact O-CB 3.13Å; H131-E134 PolarHBondContact O-N 3.44Å; H131-L135 WeakPolarHBondContact O-CG 3.41Å; H131-L135 PolarHBondContact O-N 3.3Å; H131-L152 HydrophobicContact CB-CD1 4.36Å
132V94Very high89.9Confident0 Ų067.2 Ų67.20%034%0.338CS..Hα-helixtrans-66.8-39.2179.5172.50000111.3Y109 I113 T128 V129 E134 L135 L136 T149 F150 Y153Y109-V132 HydrophobicContact CD2-CG1 4.32Å; I113-V132 HydrophobicContact CD1-CG1 4.46Å; T128-V132 PolarHBondContact O-N 2.9Å; T128-V132 VanDerWaalsContact O-N 3.1Å; V129-V132 PolarHBondContact O-N 3.29Å; V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 2.79Å; V132-L135 PolarHBondContact O-N 2.86Å; V132-L136 HydrophobicContact CG1-CD1 3.9Å; V132-L136 HydrophobicContact CG1-CG 4.28Å; V132-L136 WeakPolarHBondContact O-CB 3.47Å; V132-L136 VanDerWaalsContact O-CG 3.32Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 2.67Å; V132-T149 HydrophobicContact CG1-CG2 4.31Å; V132-T149 WeakPolarHBondContact CG2-O 3.43Å; V132-F150 HydrophobicContact CG1-CD1 3.91Å; V132-F150 HydrophobicContact CG1-CE1 3.52Å; V132-F150 HydrophobicContact CG1-CZ 4.27Å; V132-F150 HydrophobicContact CG2-CD1 4.4Å; V132-Y153 HydrophobicContact CB-CD2 4.44Å; V132-Y153 HydrophobicContact CB-CE2 3.91Å; V132-Y153 HydrophobicContact CG1-CE2 4.28Å; V132-Y153 HydrophobicContact CG2-CD2 3.66Å; V132-Y153 HydrophobicContact CG2-CE2 3.57Å
133H93.3Very high91.3Very high88 Ų8872.1 Ų72.141%0.40736%0.359SS..Hα-helixtrans-61-40.8175.3-175.476.7000111.9Y109 V129 D130 H131 T137Y109-H133 HydrophobicContact CE2-CB 4.28Å; Y109-H133 AromaticContact CZ-ND1 3.63Å; Y109-H133 PolarHBondContact OH-ND1 3.39Å; Y109-H133 VanDerWaalsContact OH-ND1 3.13Å; V129-H133 VanDerWaalsContact O-CB 3.3Å; V129-H133 WeakPolarHBondContact O-CB 3.47Å; V129-H133 PolarHBondContact O-N 2.86Å; D130-H133 PolarHBondContact O-N 3.35Å; H131-H133 PolarHBondContact O-N 2.93Å; H133-T137 WeakPolarHBondContact O-CB 3.37Å; H133-T137 PolarHBondContact O-N 2.72Å; H133-T137 PolarHBondContact O-OG1 3.16Å
134E94.7Very high92.1Very high122 Ų12270.9 Ų70.957%0.5735%0.353SS*.Hα-helixtrans-61.7-50.6174.8-176.5176.5-167.900111.3D130 H131 V132 L136 T137 V138D130-E134 WeakPolarHBondContact O-CB 3.35Å; D130-E134 PolarHBondContact O-N 3.27Å; H131-E134 WeakPolarHBondContact O-CB 3.13Å; H131-E134 PolarHBondContact O-N 3.44Å; V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 2.79Å; E134-L136 PolarHBondContact O-N 3.48Å; E134-T137 WeakPolarHBondContact O-CB 3.38Å; E134-T137 PolarHBondContact O-N 3.46Å; E134-T137 VanDerWaalsContact O-N 3.07Å; E134-V138 HydrophobicContact CG-CG2 4.33Å; E134-V138 WeakPolarHBondContact O-CG2 3.31Å; E134-V138 PolarHBondContact O-N 2.96Å
135L95.1Very high92.6Very high46 Ų4670 Ų7024%0.24135%0.349CS..Hα-helixtrans-58.2-45.8177.9-71178.2000112H131 V132 T137 V138 S139 L145 T149H131-L135 WeakPolarHBondContact O-CG 3.41Å; H131-L135 PolarHBondContact O-N 3.3Å; V132-L135 PolarHBondContact O-N 2.86Å; L135-T137 VanDerWaalsContact C-N 3.28Å; L135-T137 PolarHBondContact O-N 3.3Å; L135-V138 PolarHBondContact O-N 3.42Å; L135-S139 WeakPolarHBondContact O-CB 3.28Å; L135-S139 PolarHBondContact O-N 3.39Å; L135-S139 PolarHBondContact O-OG 2.86Å; L135-L145 HydrophobicContact CB-CD1 4.36Å; L135-T149 HydrophobicContact CB-CG2 4.24Å; L135-T149 HydrophobicContact CD1-CG2 4.03Å
136L94.1Very high92.8Very high7 Ų771 Ų714%0.03736%0.355CS..Hα-helixtrans-63-34.6176.3-72174.1000112Y109 V132 E134 S139 Q140 L145Y109-L136 HydrophobicContact CD2-CD1 3.69Å; Y109-L136 HydrophobicContact CG-CD1 3.71Å; V132-L136 HydrophobicContact CG1-CD1 3.9Å; V132-L136 HydrophobicContact CG1-CG 4.28Å; V132-L136 WeakPolarHBondContact O-CB 3.47Å; V132-L136 VanDerWaalsContact O-CG 3.32Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 2.67Å; E134-L136 PolarHBondContact O-N 3.48Å; L136-S139 PolarHBondContact O-OG 2.78Å; L136-Q140 VanDerWaalsContact O-CG 3.23Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; L136-L145 HydrophobicContact CD2-CD1 4.24Å; L136-L145 HydrophobicContact CD2-CD2 3.81Å
137T94.3Very high93Very high53 Ų5365.4 Ų65.433%0.32534%0.339SS..Hα-helixtrans-73.1-43.8177.4-61.60000112.1H133 E134 L135 S139 Q140H133-T137 WeakPolarHBondContact O-CB 3.37Å; H133-T137 PolarHBondContact O-N 2.72Å; H133-T137 PolarHBondContact O-OG1 3.16Å; E134-T137 WeakPolarHBondContact O-CB 3.38Å; E134-T137 PolarHBondContact O-N 3.46Å; E134-T137 VanDerWaalsContact O-N 3.07Å; L135-T137 VanDerWaalsContact C-N 3.28Å; L135-T137 PolarHBondContact O-N 3.3Å; T137-S139 VanDerWaalsContact C-N 3.32Å; T137-S139 PolarHBondContact O-N 2.73Å; T137-Q140 WeakPolarHBondContact O-CG 3.33Å; T137-Q140 PolarHBondContact O-N 3.19Å
138V94.5Very high93.1Very high68 Ų6866.4 Ų66.441%0.41234%0.337SS..Hα-helixtrans-62.6-42176.6171.60000110.4E134 L135 Q140 K141 T142E134-V138 HydrophobicContact CG-CG2 4.33Å; E134-V138 WeakPolarHBondContact O-CG2 3.31Å; E134-V138 PolarHBondContact O-N 2.96Å; L135-V138 PolarHBondContact O-N 3.42Å; V138-Q140 PolarHBondContact O-N 2.88Å; V138-Q140 VanDerWaalsContact O-N 3.13Å; V138-K141 PolarHBondContact O-N 3.03Å; V138-T142 HydrophobicContact CG1-CG2 3.7Å; V138-T142 PolarHBondContact O-N 2.98Å; V138-T142 PolarHBondContact O-OG1 3.35Å
139S94Very high93.3Very high1 Ų166.2 Ų66.21%0.00734%0.336CS..Hα-helixtrans-59.2-27.5-179.475.20000113.9L135 L136 T137 K141 T142 K143 K144L135-S139 WeakPolarHBondContact O-CB 3.28Å; L135-S139 PolarHBondContact O-N 3.39Å; L135-S139 PolarHBondContact O-OG 2.86Å; L136-S139 PolarHBondContact O-OG 2.78Å; T137-S139 VanDerWaalsContact C-N 3.32Å; T137-S139 PolarHBondContact O-N 2.73Å; S139-K141 PolarHBondContact O-N 3.32Å; S139-T142 WeakPolarHBondContact CA-OG1 3.36Å; S139-K143 VanDerWaalsContact O-CA 3.27Å; S139-K143 WeakPolarHBondContact O-CA 3.49Å; S139-K143 PolarHBondContact O-N 3.49Å; S139-K144 WeakPolarHBondContact CA-O 3.5Å; S139-K144 WeakPolarHBondContact CB-O 3.36Å
140Q90.9Very high93.5Very high82 Ų8265.8 Ų65.838%0.38333%0.334SS..Hα-helixtrans-63.6-34.4176.8-45.3-169.514.600112.1R106 L136 T137 V138 K143R106-Q140 VanDerWaalsContact NH1-NE2 3.16Å; R106-Q140 VanDerWaalsContact NH2-OE1 3.09Å; L136-Q140 VanDerWaalsContact O-CG 3.23Å; L136-Q140 WeakPolarHBondContact O-CG 3.5Å; T137-Q140 WeakPolarHBondContact O-CG 3.33Å; T137-Q140 PolarHBondContact O-N 3.19Å; V138-Q140 PolarHBondContact O-N 2.88Å; V138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-K143 PolarHBondContact O-NZ 2.78Å
141K92.6Very high93.7Very high182 Ų18263.9 Ų63.979%0.79133%0.327SS*.Hα-helixtrans-87.2-44.8-179.8-61.9-180-178.3175.50111.4V138 S139V138-K141 PolarHBondContact O-N 3.03Å; S139-K141 PolarHBondContact O-N 3.32Å
142T94.4Very high93.7Very high75 Ų7563.5 Ų63.546%0.4633%0.327SS..Hα-helixtrans-83.9-16.5-174.3610000113.6V138 S139 K144V138-T142 HydrophobicContact CG1-CG2 3.7Å; V138-T142 PolarHBondContact O-N 2.98Å; V138-T142 PolarHBondContact O-OG1 3.35Å; S139-T142 WeakPolarHBondContact CA-OG1 3.36Å; T142-K144 PolarHBondContact O-N 3.49Å; T142-K144 PolarHBondContact OG1-N 3.37Å; T142-K144 PolarHBondContact OG1-O 3.13Å
143K94Very high93.7Very high144 Ų14463.5 Ų63.563%0.62633%0.327SS*.SBendtrans55.727.5-170.6-55.7-57-172.3-170.20113.3D98 S139 Q140D98-K143 WeakPolarHBondContact CB-O 3.43Å; S139-K143 VanDerWaalsContact O-CA 3.27Å; S139-K143 WeakPolarHBondContact O-CA 3.49Å; S139-K143 PolarHBondContact O-N 3.49Å; Q140-K143 PolarHBondContact O-NZ 2.78Å
144K91.9Very high93.8Very high142 Ų14260.9 Ų60.962%0.61732%0.315SS*.  trans-129132.1176.8-68.3-168.9173.3-168.40110S139 T142S139-K144 WeakPolarHBondContact CA-O 3.5Å; S139-K144 WeakPolarHBondContact CB-O 3.36Å; T142-K144 PolarHBondContact O-N 3.49Å; T142-K144 PolarHBondContact OG1-N 3.37Å; T142-K144 PolarHBondContact OG1-O 3.13Å
145L94Very high93.7Very high1 Ų160 Ų601%0.00531%0.314CS..  trans-137.2113.1173.8-171.266.9000109.2F92 D98 R101 I102 L135 L136 T149F92-L145 HydrophobicContact CE2-CD2 3.74Å; F92-L145 HydrophobicContact CZ-CD2 3.65Å; F92-L145 HydrophobicContact CZ-CG 4.02Å; D98-L145 PolarHBondContact OD1-N 3.07Å; R101-L145 HydrophobicContact CB-CB 4.35Å; R101-L145 HydrophobicContact CB-CD2 4.32Å; R101-L145 WeakPolarHBondContact CD-O 3.37Å; R101-L145 PolarHBondContact NE-O 2.94Å; I102-L145 HydrophobicContact CG1-CB 3.76Å; I102-L145 HydrophobicContact CG1-CD2 4.33Å; L135-L145 HydrophobicContact CB-CD1 4.36Å; L136-L145 HydrophobicContact CD2-CD1 4.24Å; L136-L145 HydrophobicContact CD2-CD2 3.81Å; L145-T149 HydrophobicContact CD1-CG2 4.01Å; L145-T149 WeakPolarHBondContact CD1-OG1 3.46Å; L145-T149 WeakPolarHBondContact CG-OG1 3.43Å
146P92.3Very high93.6Very high61 Ų6160.1 Ų60.140%0.39631%0.313SS..  trans-59.1147.5-179.9-25.635.9000113.3F92 D148 T149F92-P146 WeakPolarHBondContact CE1-O 3.32Å; P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 PolarHBondContact O-N 3.41Å; P146-T149 WeakPolarHBondContact O-CB 3.26Å; P146-T149 PolarHBondContact O-N 2.91Å; P146-T149 PolarHBondContact O-OG1 2.91Å
147A90.8Very high93.6Very high42 Ų4259.8 Ų59.835%0.34731%0.312SS..THydrogen-bonded Turntrans-66.8-24.7179.400000113.1F92 T149F92-A147 WeakPolarHBondContact CE1-O 3.39Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 3.39Å
148D93Very high93.7Very high103 Ų10358.1 Ų58.155%0.55130%0.301SS*.THydrogen-bonded Turntrans-89.712.4178.863.9-23.5000113.6P146 F150 S151P146-D148 WeakPolarHBondContact CB-OD1 3.33Å; P146-D148 PolarHBondContact O-N 3.41Å; D148-F150 PolarHBondContact O-N 2.88Å; D148-S151 VanDerWaalsContact O-CB 3.28Å; D148-S151 WeakPolarHBondContact O-CB 3.42Å; D148-S151 PolarHBondContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.92Å
149T95.3Very high93.6Very high2 Ų260.7 Ų60.71%0.01231%0.308CS..THydrogen-bonded Turntrans-49.1-36.5-179.1-690000113V132 L135 L145 P146 A147V132-T149 HydrophobicContact CG1-CG2 4.31Å; V132-T149 WeakPolarHBondContact CG2-O 3.43Å; L135-T149 HydrophobicContact CB-CG2 4.24Å; L135-T149 HydrophobicContact CD1-CG2 4.03Å; L145-T149 HydrophobicContact CD1-CG2 4.01Å; L145-T149 WeakPolarHBondContact CD1-OG1 3.46Å; L145-T149 WeakPolarHBondContact CG-OG1 3.43Å; P146-T149 WeakPolarHBondContact O-CB 3.26Å; P146-T149 PolarHBondContact O-N 2.91Å; P146-T149 PolarHBondContact O-OG1 2.91Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 3.39Å
150F96Very high93.5Very high2 Ų263 Ų631%0.00932%0.324CS..THydrogen-bonded Turntrans-101.712.4-176.7-61.6-81.5000114I89 F92 I108 I113 V132 D148 L152 Y153 E154I89-F150 HydrophobicContact CB-CB 4.45Å; I89-F150 HydrophobicContact CD1-CB 3.96Å; I89-F150 HydrophobicContact CG1-CB 3.73Å; I89-F150 HydrophobicContact CG1-CG 4.17Å; I89-F150 HydrophobicContact CG2-CB 3.93Å; F92-F150 AromaticContact CD1-CD2 3.81Å; F92-F150 HydrophobicContact CD1-CD2 3.81Å; F92-F150 HydrophobicContact CD1-CE2 4.12Å; F92-F150 HydrophobicContact CD2-CD2 4.4Å; F92-F150 AromaticContact CD2-CE2 3.9Å; F92-F150 HydrophobicContact CD2-CE2 3.9Å; F92-F150 AromaticContact CE1-CD2 3.89Å; F92-F150 HydrophobicContact CE1-CD2 3.89Å; F92-F150 HydrophobicContact CE1-CE2 4.07Å; F92-F150 HydrophobicContact CE2-CD2 4.43Å; F92-F150 AromaticContact CE2-CE2 3.81Å; F92-F150 HydrophobicContact CE2-CE2 3.81Å; F92-F150 HydrophobicContact CG-CD2 4.09Å; F92-F150 HydrophobicContact CG-CE2 4.05Å; F92-F150 HydrophobicContact CZ-CD2 4.21Å; F92-F150 AromaticContact CZ-CE2 3.92Å; F92-F150 HydrophobicContact CZ-CE2 3.92Å; I108-F150 HydrophobicContact CB-CZ 4.1Å; I108-F150 HydrophobicContact CD1-CE2 4.25Å; I108-F150 HydrophobicContact CG2-CD1 4.34Å; I108-F150 HydrophobicContact CG2-CE1 3.78Å; I108-F150 HydrophobicContact CG2-CE2 4.38Å; I108-F150 HydrophobicContact CG2-CZ 3.82Å; I113-F150 HydrophobicContact CD1-CE1 4.25Å; V132-F150 HydrophobicContact CG1-CD1 3.91Å; V132-F150 HydrophobicContact CG1-CE1 3.52Å; V132-F150 HydrophobicContact CG1-CZ 4.27Å; V132-F150 HydrophobicContact CG2-CD1 4.4Å; D148-F150 PolarHBondContact O-N 2.88Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.49Å; F150-Y153 HydrophobicContact CD1-CD2 4.08Å; F150-Y153 WeakPolarHBondContact O-CA 3.32Å; F150-Y153 WeakPolarHBondContact O-CB 3.35Å; F150-Y153 PolarHBondContact O-N 3.28Å; F150-E154 PolarHBondContact O-N 2.99Å
151S94.5Very high93.7Very high45 Ų4559 Ų5932%0.31531%0.306SS..Hα-helixtrans-54.4-41.9-177.951.40000113.4D148 Y153 E154 D155D148-S151 VanDerWaalsContact O-CB 3.28Å; D148-S151 WeakPolarHBondContact O-CB 3.42Å; D148-S151 PolarHBondContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.92Å; S151-Y153 VanDerWaalsContact C-N 3.32Å; S151-Y153 PolarHBondContact O-N 2.84Å; S151-E154 WeakPolarHBondContact O-CB 3.41Å; S151-E154 PolarHBondContact O-N 3.45Å; S151-D155 PolarHBondContact O-N 3.45Å; S151-D155 VanDerWaalsContact O-N 3.08Å
152L93.6Very high93.8Very high67 Ų6753.8 Ų53.835%0.35128%0.281SS..Hα-helixtrans-64.2-35.5176.2-63.2-178.8000113T128 H131 F150 E156T128-L152 HydrophobicContact CG2-CB 3.72Å; H131-L152 HydrophobicContact CB-CD1 4.36Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.49Å; L152-E156 PolarHBondContact O-N 3.43Å
153Y94.5Very high93.5Very high0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-70.2-39173.2-86.1-69.7000111.5F85 I113 F124 T128 V129 V132 F150 S151 D155 E156 I157F85-Y153 AromaticContact CE1-CD1 3.72Å; F85-Y153 HydrophobicContact CE1-CD1 3.72Å; F85-Y153 HydrophobicContact CE1-CE1 4.19Å; F85-Y153 HydrophobicContact CE1-CG 4.03Å; F85-Y153 AromaticContact CZ-CD1 3.96Å; F85-Y153 HydrophobicContact CZ-CD1 3.96Å; F85-Y153 HydrophobicContact CZ-CD2 4.21Å; F85-Y153 HydrophobicContact CZ-CE1 4.45Å; F85-Y153 AromaticContact CZ-CG 3.81Å; F85-Y153 HydrophobicContact CZ-CG 3.81Å; I113-Y153 HydrophobicContact CD1-CD2 4.07Å; I113-Y153 HydrophobicContact CD1-CE1 4.27Å; I113-Y153 HydrophobicContact CD1-CE2 3.34Å; I113-Y153 VanDerWaalsContact CD1-CZ 3.46Å; I113-Y153 WeakPolarHBondContact CD1-OH 3.32Å; I113-Y153 HydrophobicContact CG1-CE1 4.21Å; I113-Y153 HydrophobicContact CG1-CE2 4.17Å; I113-Y153 VanDerWaalsContact CG2-OH 3.31Å; I113-Y153 WeakPolarHBondContact CG2-OH 3.2Å; F124-Y153 HydrophobicContact CB-CD1 4.2Å; F124-Y153 HydrophobicContact CB-CE1 3.64Å; F124-Y153 AromaticContact CD1-CD1 3.84Å; F124-Y153 HydrophobicContact CD1-CD1 3.84Å; F124-Y153 HydrophobicContact CD1-CE1 4.08Å; F124-Y153 HydrophobicContact CD2-CD1 4.23Å; F124-Y153 AromaticContact CD2-CE1 3.8Å; F124-Y153 HydrophobicContact CD2-CE1 3.8Å; F124-Y153 HydrophobicContact CE1-CD1 4.24Å; F124-Y153 HydrophobicContact CE2-CE1 4.46Å; F124-Y153 AromaticContact CG-CD1 3.84Å; F124-Y153 HydrophobicContact CG-CD1 3.84Å; F124-Y153 AromaticContact CG-CE1 3.57Å; F124-Y153 HydrophobicContact CG-CE1 3.57Å; T128-Y153 HydrophobicContact CG2-CD1 3.8Å; T128-Y153 HydrophobicContact CG2-CD2 3.58Å; T128-Y153 HydrophobicContact CG2-CE1 3.87Å; T128-Y153 HydrophobicContact CG2-CE2 3.64Å; T128-Y153 HydrophobicContact CG2-CG 3.66Å; V129-Y153 VanDerWaalsContact CA-OH 3.31Å; V129-Y153 WeakPolarHBondContact CA-OH 3.31Å; V129-Y153 WeakPolarHBondContact CG2-OH 3.41Å; V132-Y153 HydrophobicContact CB-CD2 4.44Å; V132-Y153 HydrophobicContact CB-CE2 3.91Å; V132-Y153 HydrophobicContact CG1-CE2 4.28Å; V132-Y153 HydrophobicContact CG2-CD2 3.66Å; V132-Y153 HydrophobicContact CG2-CE2 3.57Å; F150-Y153 HydrophobicContact CD1-CD2 4.08Å; F150-Y153 WeakPolarHBondContact O-CA 3.32Å; F150-Y153 WeakPolarHBondContact O-CB 3.35Å; F150-Y153 PolarHBondContact O-N 3.28Å; S151-Y153 VanDerWaalsContact C-N 3.32Å; S151-Y153 PolarHBondContact O-N 2.84Å; Y153-D155 VanDerWaalsContact C-N 3.31Å; Y153-D155 PolarHBondContact O-N 3.33Å; Y153-E156 PolarHBondContact O-N 3.17Å; Y153-I157 VanDerWaalsContact O-CB 3.31Å; Y153-I157 WeakPolarHBondContact O-CB 3.39Å; Y153-I157 WeakPolarHBondContact O-CD1 3.34Å; Y153-I157 WeakPolarHBondContact O-CG1 3.14Å; Y153-I157 PolarHBondContact O-N 3.02Å
154E94.5Very high93.4Very high33 Ų3350.8 Ų50.815%0.15428%0.276CS..Hα-helixtrans-55.3-48.8175.4-178.7-179.5-179.600110.9Y86 K90 F150 S151 E156 I157 L158Y86-E154 HydrophobicContact CD2-CG 4.07Å; Y86-E154 HydrophobicContact CE2-CG 3.88Å; K90-E154 WeakPolarHBondContact CE-OE1 3.28Å; K90-E154 IonicContact NZ-OE1 3.65Å; K90-E154 PolarHBondContact NZ-OE1 2.76Å; K90-E154 IonicContact NZ-OE2 3.66Å; K90-E154 PolarHBondContact NZ-OE2 3.31Å; F150-E154 PolarHBondContact O-N 2.99Å; S151-E154 WeakPolarHBondContact O-CB 3.41Å; S151-E154 PolarHBondContact O-N 3.45Å; E154-E156 PolarHBondContact O-N 3.05Å; E154-I157 PolarHBondContact O-N 3.44Å; E154-L158 HydrophobicContact CG-CD1 3.9Å; E154-L158 HydrophobicContact CG-CG 4.28Å; E154-L158 WeakPolarHBondContact O-CB 3.45Å; E154-L158 VanDerWaalsContact O-CG 3.28Å; E154-L158 WeakPolarHBondContact O-CG 3.48Å; E154-L158 PolarHBondContact O-N 3.49Å
155D93.4Very high93.6Very high103 Ų10345.4 Ų45.455%0.55126%0.255SS*.Hα-helixtrans-59.2-46.9178.9-76.1-23.8000112.4S151 Y153 L158 Q159S151-D155 PolarHBondContact O-N 3.45Å; S151-D155 VanDerWaalsContact O-N 3.08Å; Y153-D155 VanDerWaalsContact C-N 3.31Å; Y153-D155 PolarHBondContact O-N 3.33Å; D155-L158 PolarHBondContact O-N 3.44Å; D155-Q159 WeakPolarHBondContact O-CB 3.37Å; D155-Q159 PolarHBondContact O-N 3.06Å
156E93.5Very high93.8Very high50 Ų5045.9 Ų45.923%0.23426%0.257CS..Hα-helixtrans-65.5-39.4178-70.7-172.3-150.100112.4F124 S125 T128 L152 Y153 E154 Q159 S160F124-E156 WeakPolarHBondContact CA-OE2 3.42Å; F124-E156 VanDerWaalsContact CB-OE2 3.28Å; F124-E156 WeakPolarHBondContact CB-OE2 3.23Å; F124-E156 HydrophobicContact CD1-CB 3.92Å; F124-E156 HydrophobicContact CE1-CB 4.4Å; S125-E156 VanDerWaalsContact CB-OE1 3.27Å; S125-E156 WeakPolarHBondContact CB-OE1 3.46Å; S125-E156 PolarHBondContact N-OE2 3.34Å; S125-E156 PolarHBondContact OG-OE1 3.47Å; T128-E156 WeakPolarHBondContact CB-OE1 3.23Å; T128-E156 PolarHBondContact OG1-OE1 2.84Å; L152-E156 PolarHBondContact O-N 3.43Å; Y153-E156 PolarHBondContact O-N 3.17Å; E154-E156 PolarHBondContact O-N 3.05Å; E156-Q159 PolarHBondContact O-N 3.32Å; E156-S160 PolarHBondContact O-N 3.32Å
157I93.6Very high93.9Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-62.7-51176-72.6162.8000110.4Q82 F85 I89 F124 Y153 E154 Q159 S160 L161Q82-I157 HydrophobicContact CB-CG2 4.02Å; Q82-I157 WeakPolarHBondContact O-CG2 3.31Å; F85-I157 HydrophobicContact CB-CD1 4.07Å; F85-I157 HydrophobicContact CD1-CD1 3.45Å; F85-I157 VanDerWaalsContact CD1-CD1 3.45Å; F85-I157 HydrophobicContact CD1-CG1 4.19Å; F85-I157 HydrophobicContact CD2-CD1 4.35Å; F85-I157 HydrophobicContact CE1-CD1 3.85Å; F85-I157 HydrophobicContact CG-CD1 3.71Å; F85-I157 HydrophobicContact CZ-CD1 4.43Å; I89-I157 HydrophobicContact CD1-CD1 3.63Å; F124-I157 HydrophobicContact CE1-CG1 3.67Å; F124-I157 HydrophobicContact CZ-CG1 3.97Å; Y153-I157 VanDerWaalsContact O-CB 3.31Å; Y153-I157 WeakPolarHBondContact O-CB 3.39Å; Y153-I157 WeakPolarHBondContact O-CD1 3.34Å; Y153-I157 WeakPolarHBondContact O-CG1 3.14Å; Y153-I157 PolarHBondContact O-N 3.02Å; E154-I157 PolarHBondContact O-N 3.44Å; I157-Q159 PolarHBondContact O-N 3.28Å; I157-S160 WeakPolarHBondContact O-CB 3.48Å; I157-S160 PolarHBondContact O-N 2.94Å; I157-L161 HydrophobicContact CG2-CD1 3.99Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 3.29Å
158L95.4Very high94.2Very high18 Ų1847.6 Ų47.69%0.09426%0.257CS..Hα-helixtrans-59.7-39.1179.1-68.6175.2000110.4F55 F59 Y86 E154 D155 S160 L161 R162F55-L158 HydrophobicContact CE1-CB 4.43Å; F55-L158 HydrophobicContact CE1-CD2 3.98Å; F55-L158 HydrophobicContact CZ-CD2 4.05Å; F59-L158 HydrophobicContact CD1-CD2 4.26Å; F59-L158 HydrophobicContact CE1-CD2 3.74Å; F59-L158 HydrophobicContact CZ-CD2 4.19Å; Y86-L158 HydrophobicContact CD2-CD2 4.06Å; Y86-L158 HydrophobicContact CD2-CG 4.44Å; Y86-L158 HydrophobicContact CE2-CD1 4.43Å; Y86-L158 HydrophobicContact CE2-CD2 3.78Å; Y86-L158 HydrophobicContact CE2-CG 4.25Å; E154-L158 HydrophobicContact CG-CD1 3.9Å; E154-L158 HydrophobicContact CG-CG 4.28Å; E154-L158 WeakPolarHBondContact O-CB 3.45Å; E154-L158 VanDerWaalsContact O-CG 3.28Å; E154-L158 WeakPolarHBondContact O-CG 3.48Å; E154-L158 PolarHBondContact O-N 3.49Å; D155-L158 PolarHBondContact O-N 3.44Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.1Å; L158-L161 PolarHBondContact O-N 3Å; L158-R162 VanDerWaalsContact C-NH1 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.29Å; L158-R162 PolarHBondContact O-N 3.44Å
159Q92.9Very high94.4Very high122 Ų12242.7 Ų42.757%0.5723%0.231SC*.Hα-helixtrans-63.4-38.7175.5-170.858.923.400112.8D155 E156 I157 L161 R162D155-Q159 WeakPolarHBondContact O-CB 3.37Å; D155-Q159 PolarHBondContact O-N 3.06Å; E156-Q159 PolarHBondContact O-N 3.32Å; I157-Q159 PolarHBondContact O-N 3.28Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-R162 PolarHBondContact O-N 3.38Å
160S91.6Very high94.5Very high48 Ų4843.7 Ų43.734%0.33624%0.236SC..Hα-helixtrans-65.7-34.6173.8-175.80000112.6E156 I157 L158E156-S160 PolarHBondContact O-N 3.32Å; I157-S160 WeakPolarHBondContact O-CB 3.48Å; I157-S160 PolarHBondContact O-N 2.94Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3.1Å
161L94.9Very high94.5Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-76.1-26.5-179.8-66.5175.1000112.8F55 F59 F68 V80 Q82 I157 L158 Q159 G163 V165 F166F55-L161 HydrophobicContact CE2-CB 3.71Å; F55-L161 HydrophobicContact CZ-CB 3.72Å; F55-L161 HydrophobicContact CZ-CD1 4.37Å; F59-L161 HydrophobicContact CE2-CD1 4.5Å; F68-L161 HydrophobicContact CE1-CD1 4.45Å; F68-L161 HydrophobicContact CE1-CD2 4.38Å; F68-L161 HydrophobicContact CZ-CB 4.41Å; F68-L161 HydrophobicContact CZ-CD2 4.32Å; V80-L161 HydrophobicContact CG1-CD2 3.66Å; Q82-L161 HydrophobicContact CB-CD2 4.24Å; I157-L161 HydrophobicContact CG2-CD1 3.99Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 3.29Å; L158-L161 PolarHBondContact O-N 3Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; L161-G163 VanDerWaalsContact C-N 3.28Å; L161-G163 PolarHBondContact O-N 2.66Å; L161-V165 HydrophobicContact CD2-CG1 4.29Å; L161-F166 WeakPolarHBondContact O-CB 3.27Å; L161-F166 PolarHBondContact O-N 2.89Å
162R94.9Very high94.6Very high72 Ų7248.1 Ų48.127%0.27225%0.248SC..THydrogen-bonded Turntrans-63.2-24.7179.5-79.7-178.1-169.894.89.7115.2F55 D56 L158 Q159F55-R162 HydrophobicContact CB-CB 4.41Å; F55-R162 HydrophobicContact CB-CG 3.77Å; F55-R162 HydrophobicContact CD1-CB 4.45Å; F55-R162 HydrophobicContact CD1-CG 3.28Å; F55-R162 HydrophobicContact CD2-CG 4.43Å; F55-R162 HydrophobicContact CE1-CG 3.93Å; F55-R162 HydrophobicContact CG-CB 4.36Å; F55-R162 HydrophobicContact CG-CG 3.57Å; D56-R162 IonicContact OD1-CZ 2.66Å; D56-R162 VanDerWaalsContact OD1-CZ 3.29Å; D56-R162 IonicContact OD1-NE 2.74Å; D56-R162 PolarHBondContact OD1-NE 2.99Å; D56-R162 VanDerWaalsContact OD1-NE 3.07Å; D56-R162 IonicContact OD1-NH2 3.94Å; D56-R162 PolarHBondContact OD1-NH2 3.32Å; D56-R162 IonicContact OD2-NE 3.21Å; D56-R162 PolarHBondContact OD2-NE 2.99Å; L158-R162 VanDerWaalsContact C-NH1 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.29Å; L158-R162 PolarHBondContact O-N 3.44Å; Q159-R162 PolarHBondContact O-N 3.38Å
163G89.1Confident94.7Very high31 Ų3151.4 Ų51.432%0.3227%0.266SS..THydrogen-bonded Turntrans-85.2-130.9-174.400000113.5L161 V165 F166 D167L161-G163 VanDerWaalsContact C-N 3.28Å; L161-G163 PolarHBondContact O-N 2.66Å; G163-V165 PolarHBondContact O-N 2.63Å; G163-F166 PolarHBondContact O-N 3.08Å; G163-D167 PolarHBondContact O-N 3.32Å; G163-D167 VanDerWaalsContact O-N 3.15Å
164D92.5Very high94.8Very high125 Ų12553 Ų5367%0.66827%0.273SS*.Hα-helixtrans-53.5-32.5-173.6-61.7-34.7000113.8D167 N168D164-D167 PolarHBondContact O-N 2.75Å; D164-N168 WeakPolarHBondContact O-CB 3.42Å; D164-N168 PolarHBondContact O-N 2.85Å; D164-N168 PolarHBondContact O-ND2 3.35Å
165V95.3Very high95Very high28 Ų2851.6 Ų51.617%0.1727%0.266CS..Hα-helixtrans-61.6-45.8177-176.70000110.9F68 F71 V72 V80 L161 G163 N168 F169F68-V165 HydrophobicContact CE2-CG1 4.27Å; F68-V165 HydrophobicContact CZ-CG1 3.82Å; F71-V165 HydrophobicContact CE1-CG1 4.44Å; V72-V165 HydrophobicContact CG2-CG1 4.15Å; V80-V165 HydrophobicContact CG1-CG1 4.29Å; V80-V165 HydrophobicContact CG1-CG2 4.25Å; V80-V165 HydrophobicContact CG2-CG1 4.29Å; V80-V165 HydrophobicContact CG2-CG2 4.41Å; L161-V165 HydrophobicContact CD2-CG1 4.29Å; G163-V165 PolarHBondContact O-N 2.63Å; V165-N168 PolarHBondContact O-N 3.35Å; V165-F169 PolarHBondContact O-N 2.94Å
166F97.2Very high95.1Very high11 Ų1147.2 Ų47.25%0.04824%0.243CC..Hα-helixtrans-69.4-39.9177.6-176.8-113.6000111.8F55 I58 F68 L161 G163 N168 F169 L170F55-F166 HydrophobicContact CB-CD1 3.99Å; F55-F166 HydrophobicContact CB-CD2 4.12Å; F55-F166 HydrophobicContact CB-CE1 4.14Å; F55-F166 HydrophobicContact CB-CE2 4.27Å; F55-F166 HydrophobicContact CB-CG 3.97Å; F55-F166 HydrophobicContact CB-CZ 4.27Å; F55-F166 HydrophobicContact CD2-CB 4.08Å; F55-F166 AromaticContact CD2-CD2 3.73Å; F55-F166 HydrophobicContact CD2-CD2 3.73Å; F55-F166 HydrophobicContact CD2-CE2 4.37Å; F55-F166 AromaticContact CD2-CG 3.97Å; F55-F166 HydrophobicContact CD2-CG 3.97Å; F55-F166 HydrophobicContact CG-CD2 4.42Å; F55-F166 HydrophobicContact CG-CG 4.48Å; F55-F166 VanDerWaalsContact N-CE1 3.34Å; I58-F166 HydrophobicContact CB-CE2 4.36Å; I58-F166 HydrophobicContact CD1-CE2 4.23Å; I58-F166 HydrophobicContact CD1-CZ 3.94Å; F68-F166 HydrophobicContact CD2-CD2 4.38Å; F68-F166 HydrophobicContact CE2-CD2 4.18Å; L161-F166 WeakPolarHBondContact O-CB 3.27Å; L161-F166 PolarHBondContact O-N 2.89Å; G163-F166 PolarHBondContact O-N 3.08Å; F166-N168 VanDerWaalsContact C-N 3.3Å; F166-N168 PolarHBondContact O-N 2.81Å; F166-F169 AromaticContact CD2-CD1 3.88Å; F166-F169 HydrophobicContact CD2-CD1 3.88Å; F166-F169 AromaticContact CE2-CD1 3.78Å; F166-F169 HydrophobicContact CE2-CD1 3.78Å; F166-F169 HydrophobicContact CE2-CE1 4.12Å; F166-F169 WeakPolarHBondContact O-CA 3.47Å; F166-F169 WeakPolarHBondContact O-CB 3.18Å; F166-F169 PolarHBondContact O-N 3.35Å; F166-F169 VanDerWaalsContact O-N 3.1Å; F166-L170 HydrophobicContact CD1-CD1 4.07Å; F166-L170 HydrophobicContact CD1-CG 4.28Å; F166-L170 HydrophobicContact CE1-CD1 3.66Å; F166-L170 HydrophobicContact CE1-CD2 4.14Å; F166-L170 HydrophobicContact CE1-CG 3.95Å; F166-L170 HydrophobicContact CE2-CD2 4.18Å; F166-L170 HydrophobicContact CE2-CG 4.41Å; F166-L170 HydrophobicContact CZ-CD1 4.16Å; F166-L170 HydrophobicContact CZ-CD2 3.76Å; F166-L170 HydrophobicContact CZ-CG 4.03Å; F166-L170 WeakPolarHBondContact O-CG 3.2Å; F166-L170 PolarHBondContact O-N 2.95Å
167D96.1Very high95.3Very high68 Ų6845.3 Ų45.336%0.36423%0.234SC..Hα-helixtrans-61.7-39.7175.1-73-16.1000111.9G163 D164 L170 R171G163-D167 PolarHBondContact O-N 3.32Å; G163-D167 VanDerWaalsContact O-N 3.15Å; D164-D167 PolarHBondContact O-N 2.75Å; D167-L170 PolarHBondContact O-N 3.29Å; D167-R171 WeakPolarHBondContact O-CG 3.44Å; D167-R171 PolarHBondContact O-N 2.86Å; D167-R171 VanDerWaalsContact O-N 3.08Å
168N96.7Very high95.6Very high71 Ų7145.4 Ų45.438%0.3823%0.234SC..Hα-helixtrans-65.8-38.5173.7-68.7-22.8000111.6F71 D164 V165 F166 R171 S172F71-N168 HydrophobicContact CE1-CB 4.42Å; F71-N168 HydrophobicContact CZ-CB 3.77Å; D164-N168 WeakPolarHBondContact O-CB 3.42Å; D164-N168 PolarHBondContact O-N 2.85Å; D164-N168 PolarHBondContact O-ND2 3.35Å; V165-N168 PolarHBondContact O-N 3.35Å; F166-N168 VanDerWaalsContact C-N 3.3Å; F166-N168 PolarHBondContact O-N 2.81Å; N168-R171 PolarHBondContact O-N 3.2Å; N168-R171 PolarHBondContact OD1-NH1 3.05Å; N168-S172 PolarHBondContact O-N 3.3Å; N168-S172 VanDerWaalsContact O-N 3.1Å
169F97.8Very high95.6Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-59.7-46.9171.9164.1-101.4000111.3I58 L67 F68 F71 V165 F166 R171 S172 K174 F175I58-F169 HydrophobicContact CG2-CE1 4.06Å; I58-F169 HydrophobicContact CG2-CZ 4.34Å; L67-F169 HydrophobicContact CB-CE2 4.35Å; F68-F169 HydrophobicContact CB-CD2 4.38Å; F68-F169 HydrophobicContact CB-CE2 4.24Å; F68-F169 HydrophobicContact CD2-CB 3.87Å; F68-F169 HydrophobicContact CD2-CD1 4.03Å; F68-F169 AromaticContact CD2-CD2 3.96Å; F68-F169 HydrophobicContact CD2-CD2 3.96Å; F68-F169 AromaticContact CD2-CG 3.67Å; F68-F169 HydrophobicContact CD2-CG 3.67Å; F68-F169 HydrophobicContact CE2-CB 3.99Å; F68-F169 HydrophobicContact CE2-CG 4.29Å; F71-F169 HydrophobicContact CB-CD2 3.81Å; F71-F169 HydrophobicContact CB-CE2 4.49Å; F71-F169 HydrophobicContact CD1-CB 3.68Å; F71-F169 HydrophobicContact CD1-CD2 4.14Å; F71-F169 HydrophobicContact CD1-CG 4.4Å; F71-F169 HydrophobicContact CE1-CB 3.81Å; F71-F169 HydrophobicContact CG-CB 4.16Å; F71-F169 AromaticContact CG-CD2 3.95Å; F71-F169 HydrophobicContact CG-CD2 3.95Å; F71-F169 HydrophobicContact CZ-CB 4.41Å; V165-F169 PolarHBondContact O-N 2.94Å; F166-F169 AromaticContact CD2-CD1 3.88Å; F166-F169 HydrophobicContact CD2-CD1 3.88Å; F166-F169 AromaticContact CE2-CD1 3.78Å; F166-F169 HydrophobicContact CE2-CD1 3.78Å; F166-F169 HydrophobicContact CE2-CE1 4.12Å; F166-F169 WeakPolarHBondContact O-CA 3.47Å; F166-F169 WeakPolarHBondContact O-CB 3.18Å; F166-F169 PolarHBondContact O-N 3.35Å; F166-F169 VanDerWaalsContact O-N 3.1Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.07Å; F169-S172 VanDerWaalsContact O-CB 3.3Å; F169-S172 WeakPolarHBondContact O-CB 3.41Å; F169-S172 PolarHBondContact O-N 3.44Å; F169-S172 PolarHBondContact O-OG 2.86Å; F169-K174 HydrophobicContact CD2-CB 4.26Å; F169-K174 HydrophobicContact CE2-CB 3.93Å; F169-F175 HydrophobicContact CD1-CB 4.45Å; F169-F175 HydrophobicContact CE1-CB 4.08Å; F169-F175 AromaticContact CE1-CD2 3.8Å; F169-F175 HydrophobicContact CE1-CD2 3.8Å; F169-F175 HydrophobicContact CE1-CG 4.37Å; F169-F175 HydrophobicContact CE2-CB 4.43Å; F169-F175 HydrophobicContact CZ-CB 4.08Å; F169-F175 HydrophobicContact CZ-CD2 4.2Å; F169-F175 VanDerWaalsContact O-CB 3.31Å; F169-F175 WeakPolarHBondContact O-CB 3.43Å
170L96.9Very high95.8Very high24 Ų2439 Ų3913%0.12620%0.204CC..Hα-helixtrans-59-38.9178.2-68.9-178.1000111.4R40 M53 I58 F166 D167 S172 F175R40-L170 PolarHBondContact NH1-O 2.77Å; R40-L170 PolarHBondContact NH2-O 2.87Å; M53-L170 HydrophobicContact CG-CD1 4.49Å; M53-L170 HydrophobicContact CG-CD2 4.29Å; I58-L170 HydrophobicContact CD1-CD2 4.28Å; F166-L170 HydrophobicContact CD1-CD1 4.07Å; F166-L170 HydrophobicContact CD1-CG 4.28Å; F166-L170 HydrophobicContact CE1-CD1 3.66Å; F166-L170 HydrophobicContact CE1-CD2 4.14Å; F166-L170 HydrophobicContact CE1-CG 3.95Å; F166-L170 HydrophobicContact CE2-CD2 4.18Å; F166-L170 HydrophobicContact CE2-CG 4.41Å; F166-L170 HydrophobicContact CZ-CD1 4.16Å; F166-L170 HydrophobicContact CZ-CD2 3.76Å; F166-L170 HydrophobicContact CZ-CG 4.03Å; F166-L170 WeakPolarHBondContact O-CG 3.2Å; F166-L170 PolarHBondContact O-N 2.95Å; D167-L170 PolarHBondContact O-N 3.29Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 2.94Å; L170-F175 HydrophobicContact CD2-CD1 4.29Å; L170-F175 HydrophobicContact CD2-CD2 3.62Å; L170-F175 HydrophobicContact CD2-CE1 4.27Å; L170-F175 HydrophobicContact CD2-CE2 3.61Å; L170-F175 HydrophobicContact CD2-CG 3.97Å; L170-F175 HydrophobicContact CD2-CZ 3.94Å; L170-F175 VanDerWaalsContact O-CD1 3.28Å; L170-F175 WeakPolarHBondContact O-CD1 3.46Å
171R95.6Very high96.1Very high126 Ų12636.8 Ų36.848%0.47519%0.188SC..Hα-helixtrans-72.4-18.7175.3-65.8-176.1-133.9115.14.9113.7D167 N168 F169D167-R171 WeakPolarHBondContact O-CG 3.44Å; D167-R171 PolarHBondContact O-N 2.86Å; D167-R171 VanDerWaalsContact O-N 3.08Å; N168-R171 PolarHBondContact O-N 3.2Å; N168-R171 PolarHBondContact OD1-NH1 3.05Å; F169-R171 VanDerWaalsContact C-N 3.27Å; F169-R171 PolarHBondContact O-N 3.07Å
172S96Very high96.2Very high14 Ų1437.3 Ų37.310%0.09819%0.19CC..SBendtrans-76.8164.9-176.384.10000114.4R40 N168 F169 L170 K174 F175R40-S172 PolarHBondContact NH1-O 2.93Å; N168-S172 PolarHBondContact O-N 3.3Å; N168-S172 VanDerWaalsContact O-N 3.1Å; F169-S172 VanDerWaalsContact O-CB 3.3Å; F169-S172 WeakPolarHBondContact O-CB 3.41Å; F169-S172 PolarHBondContact O-N 3.44Å; F169-S172 PolarHBondContact O-OG 2.86Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 2.94Å; S172-K174 PolarHBondContact O-N 3.13Å; S172-K174 PolarHBondContact OG-N 2.81Å; S172-K174 VanDerWaalsContact OG-N 3.12Å; S172-F175 PolarHBondContact O-N 2.87Å
173N95.6Very high96.2Very high136 Ų13634.4 Ų34.473%0.72718%0.18SC*.Hα-helixtrans-69.9-13.8170.6-74.5-35.4000113.7T176 R177N173-T176 VanDerWaalsContact O-CB 3.3Å; N173-T176 WeakPolarHBondContact O-CB 3.48Å; N173-T176 PolarHBondContact O-N 2.69Å; N173-R177 PolarHBondContact O-N 3.33Å
174K97.6Very high96.5Very high34 Ų3435.1 Ų35.115%0.14818%0.176CC..Hα-helixtrans-72.2-33.8174.6-61.8-62.8-179.8-179.90111.2D70 F71 V75 F169 S172 R177 F178D70-K174 IonicContact OD1-NZ 3.13Å; D70-K174 WeakPolarHBondContact OD2-CE 3.45Å; D70-K174 IonicContact OD2-NZ 3.34Å; D70-K174 PolarHBondContact OD2-NZ 3.12Å; F71-K174 HydrophobicContact CB-CB 4.01Å; F71-K174 HydrophobicContact CB-CG 3.87Å; V75-K174 HydrophobicContact CG2-CG 4.23Å; F169-K174 HydrophobicContact CD2-CB 4.26Å; F169-K174 HydrophobicContact CE2-CB 3.93Å; S172-K174 PolarHBondContact O-N 3.13Å; S172-K174 PolarHBondContact OG-N 2.81Å; S172-K174 VanDerWaalsContact OG-N 3.12Å; K174-R177 WeakPolarHBondContact O-CB 3.46Å; K174-R177 PolarHBondContact O-N 3.15Å; K174-F178 PolarHBondContact O-N 3.41Å
175F97.9Very high96.6Very high3 Ų329.9 Ų29.91%0.01315%0.148CC..Hα-helixtrans-68.2-36.7168.7-179.5-112.2000112.3L47 M53 I58 F169 L170 S172 R177 F178 C179L47-F175 HydrophobicContact CD1-CZ 4.35Å; M53-F175 HydrophobicContact CG-CZ 4.4Å; M53-F175 HydrophobicContact SD-CZ 4.4Å; I58-F175 HydrophobicContact CD1-CD2 4.24Å; I58-F175 HydrophobicContact CD1-CE2 3.74Å; F169-F175 HydrophobicContact CD1-CB 4.45Å; F169-F175 HydrophobicContact CE1-CB 4.08Å; F169-F175 AromaticContact CE1-CD2 3.8Å; F169-F175 HydrophobicContact CE1-CD2 3.8Å; F169-F175 HydrophobicContact CE1-CG 4.37Å; F169-F175 HydrophobicContact CE2-CB 4.43Å; F169-F175 HydrophobicContact CZ-CB 4.08Å; F169-F175 HydrophobicContact CZ-CD2 4.2Å; F169-F175 VanDerWaalsContact O-CB 3.31Å; F169-F175 WeakPolarHBondContact O-CB 3.43Å; L170-F175 HydrophobicContact CD2-CD1 4.29Å; L170-F175 HydrophobicContact CD2-CD2 3.62Å; L170-F175 HydrophobicContact CD2-CE1 4.27Å; L170-F175 HydrophobicContact CD2-CE2 3.61Å; L170-F175 HydrophobicContact CD2-CG 3.97Å; L170-F175 HydrophobicContact CD2-CZ 3.94Å; L170-F175 VanDerWaalsContact O-CD1 3.28Å; L170-F175 WeakPolarHBondContact O-CD1 3.46Å; S172-F175 PolarHBondContact O-N 2.87Å; F175-R177 VanDerWaalsContact C-N 3.25Å; F175-R177 PolarHBondContact O-N 3.25Å; F175-F178 HydrophobicContact CD2-CB 4.35Å; F175-F178 AromaticContact CD2-CD1 3.96Å; F175-F178 HydrophobicContact CD2-CD1 3.96Å; F175-F178 AromaticContact CE2-CD1 3.77Å; F175-F178 HydrophobicContact CE2-CD1 3.77Å; F175-F178 HydrophobicContact CE2-CE1 4.33Å; F175-F178 WeakPolarHBondContact O-CA 3.49Å; F175-F178 WeakPolarHBondContact O-CB 3.35Å; F175-F178 PolarHBondContact O-N 2.9Å; F175-C179 PolarHBondContact O-N 2.91Å; F175-C179 PolarHBondContact O-SG 3.15Å
176T96.6Very high96.6Very high10 Ų1031.5 Ų31.56%0.06116%0.155CC..Hα-helixtrans-55.3-43.9169.6-52.20000111.1P37 R40 N173 F178 C179 Q180P37-T176 HydrophobicContact CB-CG2 3.82Å; R40-T176 HydrophobicContact CB-CG2 4.2Å; R40-T176 WeakPolarHBondContact CD-OG1 3.48Å; R40-T176 PolarHBondContact NH1-OG1 3.08Å; N173-T176 VanDerWaalsContact O-CB 3.3Å; N173-T176 WeakPolarHBondContact O-CB 3.48Å; N173-T176 PolarHBondContact O-N 2.69Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-C179 WeakPolarHBondContact O-CB 3.29Å; T176-C179 PolarHBondContact O-N 3.5Å; T176-Q180 WeakPolarHBondContact O-CG 3.41Å; T176-Q180 PolarHBondContact O-N 3.17Å
177R97.9Very high96.3Very high10 Ų1033.2 Ų33.24%0.03817%0.165CC..Hα-helixtrans-65-36.9175.5-175.255.957.768.43.3112.6L34 L67 N173 K174 F175 Q180 W181 N535 D539 D542L34-R177 VanDerWaalsContact CD1-CD 3.45Å; L67-R177 HydrophobicContact CD1-CB 4.37Å; L67-R177 HydrophobicContact CD1-CG 4.21Å; L67-R177 HydrophobicContact CD2-CB 4.01Å; L67-R177 HydrophobicContact CD2-CG 3.63Å; N173-R177 PolarHBondContact O-N 3.33Å; K174-R177 WeakPolarHBondContact O-CB 3.46Å; K174-R177 PolarHBondContact O-N 3.15Å; F175-R177 VanDerWaalsContact C-N 3.25Å; F175-R177 PolarHBondContact O-N 3.25Å; R177-Q180 VanDerWaalsContact CD-OE1 3.27Å; R177-Q180 WeakPolarHBondContact O-CB 3.33Å; R177-Q180 PolarHBondContact O-N 3.07Å; R177-W181 VanDerWaalsContact O-CD1 3.29Å; R177-W181 PolarHBondContact O-N 2.83Å; R177-W181 VanDerWaalsContact O-N 3.08Å; R177-N535 WeakPolarHBondContact CD-OD1 3.47Å; R177-N535 WeakPolarHBondContact CG-OD1 3.49Å; R177-N535 PolarHBondContact NH1-O 2.85Å; R177-N535 PolarHBondContact NH1-OD1 3.4Å; R177-N535 VanDerWaalsContact NH1-OD1 3.16Å; R177-D539 IonicContact CZ-OD1 3.28Å; R177-D539 VanDerWaalsContact CZ-OD1 3.23Å; R177-D539 IonicContact NH1-OD1 2.67Å; R177-D539 PolarHBondContact NH1-OD1 3.31Å; R177-D539 IonicContact NH2-OD1 3.54Å; R177-D539 PolarHBondContact NH2-OD1 3.33Å; R177-D542 IonicContact NH2-OD2 3.34Å; R177-D542 PolarHBondContact NH2-OD2 3.45Å
178F98.4Very high96.2Very high3 Ų332.2 Ų32.21%0.01316%0.159CC..Hα-helixtrans-61.1-47173.5174.2-100.9000110.7L47 I58 E61 L67 K174 F175 T176 Q180 W181 K182L47-F178 HydrophobicContact CD1-CD1 4.49Å; L47-F178 HydrophobicContact CD1-CE1 3.99Å; I58-F178 HydrophobicContact CD1-CD1 4.32Å; I58-F178 HydrophobicContact CD1-CE1 3.95Å; I58-F178 HydrophobicContact CD1-CZ 4.46Å; I58-F178 HydrophobicContact CG1-CE1 4.03Å; I58-F178 HydrophobicContact CG1-CZ 4.05Å; I58-F178 HydrophobicContact CG2-CD2 4.26Å; I58-F178 HydrophobicContact CG2-CE1 4.39Å; I58-F178 HydrophobicContact CG2-CE2 4.06Å; I58-F178 HydrophobicContact CG2-CZ 4.13Å; E61-F178 WeakPolarHBondContact OE2-CE2 3.47Å; L67-F178 HydrophobicContact CD1-CB 3.61Å; L67-F178 HydrophobicContact CD1-CD2 4.32Å; L67-F178 HydrophobicContact CD1-CG 4.49Å; K174-F178 PolarHBondContact O-N 3.41Å; F175-F178 HydrophobicContact CD2-CB 4.35Å; F175-F178 AromaticContact CD2-CD1 3.96Å; F175-F178 HydrophobicContact CD2-CD1 3.96Å; F175-F178 AromaticContact CE2-CD1 3.77Å; F175-F178 HydrophobicContact CE2-CD1 3.77Å; F175-F178 HydrophobicContact CE2-CE1 4.33Å; F175-F178 WeakPolarHBondContact O-CA 3.49Å; F175-F178 WeakPolarHBondContact O-CB 3.35Å; F175-F178 PolarHBondContact O-N 2.9Å; T176-F178 VanDerWaalsContact C-N 3.34Å; F178-Q180 VanDerWaalsContact C-N 3.29Å; F178-Q180 PolarHBondContact O-N 3.33Å; F178-W181 PolarHBondContact O-N 2.89Å; F178-W181 VanDerWaalsContact O-N 3.17Å; F178-K182 HydrophobicContact CE1-CB 4.45Å; F178-K182 HydrophobicContact CZ-CD 4.4Å; F178-K182 HydrophobicContact CZ-CG 4.44Å; F178-K182 WeakPolarHBondContact O-CB 3.33Å; F178-K182 PolarHBondContact O-N 3.41Å
179C96.9Very high96Very high0 Ų034.6 Ų34.60%017%0.172CC..Hα-helixtrans-57.5-40.2174.8-660000112.5M43 F175 T176 K182 D183M43-C179 HydrophobicContact CB-CB 3.76Å; M43-C179 HydrophobicContact CG-CB 4.3Å; F175-C179 PolarHBondContact O-N 2.91Å; F175-C179 PolarHBondContact O-SG 3.15Å; T176-C179 WeakPolarHBondContact O-CB 3.29Å; T176-C179 PolarHBondContact O-N 3.5Å; C179-K182 PolarHBondContact O-N 2.82Å; C179-D183 VanDerWaalsContact O-CB 3.27Å; C179-D183 WeakPolarHBondContact O-CB 3.31Å; C179-D183 PolarHBondContact O-N 3.06Å
180Q96.4Very high95.9Very high4 Ų435.5 Ų35.52%0.01918%0.176CC..Hα-helixtrans-62.8-42.7176.7-69.8170.7-53.200112.3L34 P35 I39 T176 R177 F178 L184L34-Q180 HydrophobicContact CB-CB 4.3Å; L34-Q180 HydrophobicContact CD2-CB 4.13Å; P35-Q180 HydrophobicContact CG-CB 3.93Å; P35-Q180 HydrophobicContact CG-CG 4.11Å; P35-Q180 PolarHBondContact O-NE2 2.78Å; I39-Q180 HydrophobicContact CG2-CB 4.44Å; I39-Q180 HydrophobicContact CG2-CG 3.67Å; T176-Q180 WeakPolarHBondContact O-CG 3.41Å; T176-Q180 PolarHBondContact O-N 3.17Å; R177-Q180 VanDerWaalsContact CD-OE1 3.27Å; R177-Q180 WeakPolarHBondContact O-CB 3.33Å; R177-Q180 PolarHBondContact O-N 3.07Å; F178-Q180 VanDerWaalsContact C-N 3.29Å; F178-Q180 PolarHBondContact O-N 3.33Å; Q180-L184 PolarHBondContact O-N 2.96Å
181W98Very high95.8Very high2 Ų237.2 Ų37.21%0.00819%0.188CC..Hα-helixtrans-69.1-41.5175.7-80.1111.1000112.3I32 L34 L63 R177 F178 D183 L184 E185 W522 I526 F531 V534 N535I32-W181 HydrophobicContact CG2-CH2 4.39Å; I32-W181 HydrophobicContact CG2-CZ3 4.25Å; L34-W181 HydrophobicContact CD1-CZ2 4.35Å; L34-W181 HydrophobicContact CD2-CD2 3.69Å; L34-W181 HydrophobicContact CD2-CE3 3.94Å; L34-W181 HydrophobicContact CD2-CG 4.1Å; L34-W181 HydrophobicContact CD2-CH2 4.39Å; L34-W181 HydrophobicContact CD2-CZ2 4.15Å; L34-W181 HydrophobicContact CD2-CZ3 4.28Å; L63-W181 HydrophobicContact CD1-CB 4.07Å; L63-W181 HydrophobicContact CD1-CD2 4.09Å; L63-W181 HydrophobicContact CD1-CE3 4.17Å; L63-W181 HydrophobicContact CD1-CG 4.08Å; R177-W181 VanDerWaalsContact O-CD1 3.29Å; R177-W181 PolarHBondContact O-N 2.83Å; R177-W181 VanDerWaalsContact O-N 3.08Å; F178-W181 PolarHBondContact O-N 2.89Å; F178-W181 VanDerWaalsContact O-N 3.17Å; W181-D183 VanDerWaalsContact C-N 3.31Å; W181-D183 PolarHBondContact O-N 3.07Å; W181-L184 HydrophobicContact CE3-CD1 4.24Å; W181-L184 HydrophobicContact CZ3-CD1 4.32Å; W181-L184 WeakPolarHBondContact O-CB 3.48Å; W181-L184 PolarHBondContact O-N 3.28Å; W181-E185 PolarHBondContact O-N 3.34Å; W181-W522 AromaticContact CE3-CH2 3.9Å; W181-W522 HydrophobicContact CE3-CH2 3.9Å; W181-W522 HydrophobicContact CE3-CZ2 4.21Å; W181-W522 HydrophobicContact CZ3-CZ2 4.45Å; W181-I526 HydrophobicContact CE3-CG2 4.11Å; W181-I526 HydrophobicContact CH2-CG2 3.6Å; W181-I526 HydrophobicContact CZ2-CG2 4.2Å; W181-I526 HydrophobicContact CZ3-CD1 4.11Å; W181-I526 HydrophobicContact CZ3-CG1 4.34Å; W181-I526 HydrophobicContact CZ3-CG2 3.56Å; W181-F531 AromaticContact CE2-CD2 3.87Å; W181-F531 AromaticContact CZ2-CD2 3.92Å; W181-F531 HydrophobicContact CZ2-CD2 3.92Å; W181-F531 AromaticContact NE1-CD2 3.88Å; W181-F531 AromaticContact NE1-CE2 3.62Å; W181-V534 HydrophobicContact CH2-CB 3.93Å; W181-V534 HydrophobicContact CH2-CG1 3.66Å; W181-V534 HydrophobicContact CH2-CG2 4.34Å; W181-V534 HydrophobicContact CZ2-CB 3.88Å; W181-V534 HydrophobicContact CZ2-CG1 3.6Å; W181-N535 PolarHBondContact NE1-OD1 2.56Å
182K96.9Very high95.7Very high12 Ų1234.3 Ų34.35%0.05219%0.185CC..Hα-helixtrans-66.9-36.3-179.1-162.857.9166.7-170.90111.9M43 L47 E61 F178 C179 E185 L186M43-K182 HydrophobicContact CE-CB 4.17Å; M43-K182 HydrophobicContact CE-CG 4.06Å; L47-K182 HydrophobicContact CD2-CG 4.2Å; E61-K182 IonicContact OE1-NZ 3.54Å; E61-K182 PolarHBondContact OE1-NZ 3.43Å; E61-K182 IonicContact OE2-NZ 2.72Å; E61-K182 PolarHBondContact OE2-NZ 2.97Å; F178-K182 HydrophobicContact CE1-CB 4.45Å; F178-K182 HydrophobicContact CZ-CD 4.4Å; F178-K182 HydrophobicContact CZ-CG 4.44Å; F178-K182 WeakPolarHBondContact O-CB 3.33Å; F178-K182 PolarHBondContact O-N 3.41Å; C179-K182 PolarHBondContact O-N 2.82Å; K182-E185 HydrophobicContact CD-CB 4.49Å; K182-E185 WeakPolarHBondContact CD-OE2 3.5Å; K182-E185 IonicContact NZ-OE1 2.69Å; K182-E185 PolarHBondContact NZ-OE1 3.19Å; K182-E185 IonicContact NZ-OE2 3.2Å; K182-E185 PolarHBondContact NZ-OE2 2.78Å; K182-E185 VanDerWaalsContact NZ-OE2 3.08Å; K182-E185 WeakPolarHBondContact O-CB 3.27Å; K182-E185 PolarHBondContact O-N 3.3Å; K182-L186 HydrophobicContact CG-CD1 4.05Å; K182-L186 WeakPolarHBondContact O-CD1 3.48Å; K182-L186 VanDerWaalsContact O-CG 3.22Å; K182-L186 WeakPolarHBondContact O-CG 3.41Å; K182-L186 PolarHBondContact O-N 2.82Å; K182-L186 VanDerWaalsContact O-N 3.08Å
183D94.7Very high95.6Very high10 Ų1039.5 Ų39.55%0.05321%0.211CC..Hα-helixtrans-60-46.6171.6-178.759.1000112P35 I39 M43 C179 W181 L186 N187P35-D183 HydrophobicContact CG-CB 4.22Å; I39-D183 HydrophobicContact CG1-CB 3.93Å; M43-D183 HydrophobicContact CG-CB 4.13Å; M43-D183 HydrophobicContact SD-CB 4.11Å; C179-D183 VanDerWaalsContact O-CB 3.27Å; C179-D183 WeakPolarHBondContact O-CB 3.31Å; C179-D183 PolarHBondContact O-N 3.06Å; W181-D183 VanDerWaalsContact C-N 3.31Å; W181-D183 PolarHBondContact O-N 3.07Å; D183-L186 PolarHBondContact O-N 2.93Å; D183-N187 WeakPolarHBondContact O-CB 3.34Å; D183-N187 PolarHBondContact O-N 3.13Å; D183-N187 VanDerWaalsContact O-N 3.15Å; D183-N187 PolarHBondContact O-ND2 3.01Å; D183-N187 PolarHBondContact OD1-ND2 3.27Å
184L95Very high95.6Very high46 Ų4634.9 Ų34.924%0.24119%0.186CC..Hα-helixtrans-59.8-49.4174.6-75-176.4000111.5I32 L34 Q180 W181 L186 N187 I188I32-L184 HydrophobicContact CG2-CD1 3.58Å; L34-L184 HydrophobicContact CD2-CD1 3.55Å; L34-L184 HydrophobicContact CD2-CG 4.4Å; Q180-L184 PolarHBondContact O-N 2.96Å; W181-L184 HydrophobicContact CE3-CD1 4.24Å; W181-L184 HydrophobicContact CZ3-CD1 4.32Å; W181-L184 WeakPolarHBondContact O-CB 3.48Å; W181-L184 PolarHBondContact O-N 3.28Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 PolarHBondContact O-N 2.92Å; L184-N187 PolarHBondContact O-N 2.79Å; L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 3.23Å
185E96.1Very high95.5Very high15 Ų1533.8 Ų33.87%0.0718%0.182CC..Hα-helixtrans-50.8-49.9179.9-173.4-176141.500111.6W181 K182 N187 I188 S519 W522 Q523W181-E185 PolarHBondContact O-N 3.34Å; K182-E185 HydrophobicContact CD-CB 4.49Å; K182-E185 WeakPolarHBondContact CD-OE2 3.5Å; K182-E185 IonicContact NZ-OE1 2.69Å; K182-E185 PolarHBondContact NZ-OE1 3.19Å; K182-E185 IonicContact NZ-OE2 3.2Å; K182-E185 PolarHBondContact NZ-OE2 2.78Å; K182-E185 VanDerWaalsContact NZ-OE2 3.08Å; K182-E185 WeakPolarHBondContact O-CB 3.27Å; K182-E185 PolarHBondContact O-N 3.3Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.09Å; E185-I188 WeakPolarHBondContact O-CD1 3.46Å; E185-I188 WeakPolarHBondContact O-CG1 3.46Å; E185-I188 PolarHBondContact O-N 3.27Å; E185-S519 WeakPolarHBondContact OE1-CB 3.41Å; E185-S519 PolarHBondContact OE1-OG 3.45Å; E185-W522 HydrophobicContact CB-CE3 3.89Å; E185-W522 HydrophobicContact CB-CH2 3.66Å; E185-W522 HydrophobicContact CB-CZ2 4.32Å; E185-W522 HydrophobicContact CB-CZ3 3.43Å; E185-W522 VanDerWaalsContact CB-CZ3 3.43Å; E185-W522 HydrophobicContact CG-CD2 4.21Å; E185-W522 HydrophobicContact CG-CE3 3.54Å; E185-W522 HydrophobicContact CG-CH2 4.27Å; E185-W522 HydrophobicContact CG-CZ3 3.59Å; E185-W522 WeakPolarHBondContact OE2-CZ3 3.32Å; E185-Q523 PolarHBondContact OE2-NE2 3.47Å
186L94Very high95.3Very high63 Ų6336.3 Ų36.333%0.3320%0.2SC..Hα-helixtrans-79-16.1-173.1-61.6168.3000113.4M43 Y46 K182 D183 L184 I691M43-L186 HydrophobicContact CE-CD1 3.87Å; Y46-L186 HydrophobicContact CD1-CD1 4.21Å; Y46-L186 HydrophobicContact CE1-CD1 3.5Å; Y46-L186 VanDerWaalsContact CE1-CD1 3.5Å; K182-L186 HydrophobicContact CG-CD1 4.05Å; K182-L186 WeakPolarHBondContact O-CD1 3.48Å; K182-L186 VanDerWaalsContact O-CG 3.22Å; K182-L186 WeakPolarHBondContact O-CG 3.41Å; K182-L186 PolarHBondContact O-N 2.82Å; K182-L186 VanDerWaalsContact O-N 3.08Å; D183-L186 PolarHBondContact O-N 2.93Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 PolarHBondContact O-N 2.92Å; L186-I691 HydrophobicContact CB-CD1 3.16Å; L186-I691 HydrophobicContact CD1-CD1 3.56Å; L186-I691 HydrophobicContact CG-CD1 3.93Å
187N92.1Very high95.2Very high46 Ų4638.9 Ų38.925%0.24622%0.215CC..THydrogen-bonded Turntrans-101.19.6177.1-77.2-69.2000113.9D183 L184 E185 N189 D689 K690D183-N187 WeakPolarHBondContact O-CB 3.34Å; D183-N187 PolarHBondContact O-N 3.13Å; D183-N187 VanDerWaalsContact O-N 3.15Å; D183-N187 PolarHBondContact O-ND2 3.01Å; D183-N187 PolarHBondContact OD1-ND2 3.27Å; L184-N187 PolarHBondContact O-N 2.79Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.09Å; N187-N189 PolarHBondContact O-N 3.24Å; N187-N189 VanDerWaalsContact O-N 3.14Å; N187-D689 PolarHBondContact ND2-OD1 2.96Å; N187-D689 PolarHBondContact ND2-OD2 3.1Å; N187-D689 WeakPolarHBondContact OD1-CA 3.41Å; N187-D689 PolarHBondContact OD1-OD1 2.97Å; N187-D689 VanDerWaalsContact OD1-OD1 3.07Å; N187-K690 PolarHBondContact OD1-N 3.32Å; N187-K690 VanDerWaalsContact OD1-N 3.13Å
188I93.9Very high94.8Very high47 Ų4739.8 Ų39.824%0.24122%0.22CC..  trans-61.3118.8175.1-68.7167.7000109.9L184 E185 L190 V517 W522L184-I188 WeakPolarHBondContact O-CG1 3.33Å; L184-I188 PolarHBondContact O-N 3.23Å; E185-I188 WeakPolarHBondContact O-CD1 3.46Å; E185-I188 WeakPolarHBondContact O-CG1 3.46Å; E185-I188 PolarHBondContact O-N 3.27Å; I188-L190 HydrophobicContact CG2-CD1 4.24Å; I188-L190 HydrophobicContact CG2-CD2 4.06Å; I188-L190 HydrophobicContact CG2-CG 3.68Å; I188-V517 HydrophobicContact CB-CG2 3.83Å; I188-V517 HydrophobicContact CD1-CG1 4.07Å; I188-V517 HydrophobicContact CD1-CG2 4.19Å; I188-V517 HydrophobicContact CG2-CG2 3.61Å; I188-W522 HydrophobicContact CD1-CD2 4.09Å; I188-W522 HydrophobicContact CD1-CG 3.96Å; I188-W522 HydrophobicContact CD1-CZ2 4.38Å
189N92.1Very high94.2Very high122 Ų12240 Ų4065%0.65222%0.221SC*.  trans-131.392.4171.5-171.614.1000109N187N187-N189 PolarHBondContact O-N 3.24Å; N187-N189 VanDerWaalsContact O-N 3.14Å
190L95.8Very high93.7Very high18 Ų1842.1 Ų42.19%0.09423%0.232CC..  trans-75.4145.1-171.8-68169.7000112.6I188 D194 F195 Y264 F266I188-L190 HydrophobicContact CG2-CD1 4.24Å; I188-L190 HydrophobicContact CG2-CD2 4.06Å; I188-L190 HydrophobicContact CG2-CG 3.68Å; L190-D194 HydrophobicContact CD2-CB 4.11Å; L190-F195 HydrophobicContact CB-CE2 4.36Å; L190-F195 HydrophobicContact CD1-CE2 4.28Å; L190-F195 HydrophobicContact CD1-CZ 4.06Å; L190-F195 HydrophobicContact CD2-CE2 4.14Å; L190-F195 HydrophobicContact CD2-CZ 4.19Å; L190-F195 HydrophobicContact CG-CE2 4.5Å; L190-Y264 VanDerWaalsContact CD1-CB 3.47Å; L190-Y264 HydrophobicContact CD1-CD1 3.58Å; L190-Y264 HydrophobicContact CD1-CD2 4.11Å; L190-Y264 HydrophobicContact CD1-CE1 4.32Å; L190-Y264 HydrophobicContact CD1-CG 3.45Å; L190-Y264 VanDerWaalsContact CD1-CG 3.45Å; L190-F266 HydrophobicContact CB-CB 3.97Å; L190-F266 HydrophobicContact CB-CD1 3.96Å; L190-F266 HydrophobicContact CB-CD2 4.31Å; L190-F266 HydrophobicContact CB-CG 3.82Å; L190-F266 HydrophobicContact CD1-CD1 4.21Å; L190-F266 WeakPolarHBondContact O-CD2 3.32Å
191T95Very high93.2Very high61 Ų6143.3 Ų43.337%0.37424%0.238SC..  trans-127.9169.5170.669.30000110.1N193 D194 F195T191-N193 PolarHBondContact O-N 2.92Å; T191-N193 PolarHBondContact OG1-N 3.42Å; T191-D194 PolarHBondContact N-OD2 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.11Å; T191-D194 PolarHBondContact O-N 2.84Å; T191-D194 VanDerWaalsContact O-N 3.1Å; T191-D194 PolarHBondContact OG1-OD2 3.04Å; T191-F195 WeakPolarHBondContact O-CD2 3.02Å
192T92.6Very high92.4Very high65 Ų6544.2 Ų44.240%0.39925%0.247SC..G310 helixtrans-59.8-27.6173.249.10000112.7D194 F195 F266 T268T192-D194 PolarHBondContact O-N 2.81Å; T192-F195 PolarHBondContact O-N 2.62Å; T192-F195 VanDerWaalsContact O-N 3.17Å; T192-F266 HydrophobicContact CG2-CE2 4.31Å; T192-T268 HydrophobicContact CG2-CG2 3.87Å
193N94.5Very high91.8Very high123 Ų12347.3 Ų47.366%0.65826%0.259SS*.G310 helixtrans-70.9-12.1178.9-67.6-25.8000113.4K30 T191K30-N193 PolarHBondContact NZ-O 2.88Å; T191-N193 PolarHBondContact O-N 2.92Å; T191-N193 PolarHBondContact OG1-N 3.42Å
194D96.1Very high91.1Very high38 Ų3848.1 Ų48.120%0.20327%0.27CS..G310 helixtrans-84.3-1.3176.2-55.9-51.3000112.1K30 L190 T191 T192 A215K30-D194 IonicContact NZ-OD1 2.8Å; K30-D194 PolarHBondContact NZ-OD1 3.36Å; L190-D194 HydrophobicContact CD2-CB 4.11Å; T191-D194 PolarHBondContact N-OD2 3.24Å; T191-D194 WeakPolarHBondContact O-CB 3.11Å; T191-D194 PolarHBondContact O-N 2.84Å; T191-D194 VanDerWaalsContact O-N 3.1Å; T191-D194 PolarHBondContact OG1-OD2 3.04Å; T192-D194 PolarHBondContact O-N 2.81Å; D194-A215 WeakPolarHBondContact O-CB 3.4Å; D194-A215 PolarHBondContact O-N 3.11Å
195F95.6Very high90.3Very high11 Ų1146.8 Ų46.85%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-128.5130178-58.7-86.6000110.8L190 T191 T192 V197 C212 R213 K214 M223 Y264 F266 I275L190-F195 HydrophobicContact CB-CE2 4.36Å; L190-F195 HydrophobicContact CD1-CE2 4.28Å; L190-F195 HydrophobicContact CD1-CZ 4.06Å; L190-F195 HydrophobicContact CD2-CE2 4.14Å; L190-F195 HydrophobicContact CD2-CZ 4.19Å; L190-F195 HydrophobicContact CG-CE2 4.5Å; T191-F195 WeakPolarHBondContact O-CD2 3.02Å; T192-F195 PolarHBondContact O-N 2.62Å; T192-F195 VanDerWaalsContact O-N 3.17Å; F195-V197 HydrophobicContact CB-CG2 4.5Å; F195-V197 PolarHBondContact O-N 2.88Å; F195-C212 HydrophobicContact CB-CB 4.4Å; F195-R213 CarbonylContact C-O 3.39Å; F195-R213 VanDerWaalsContact CA-O 3.31Å; F195-R213 WeakPolarHBondContact CA-O 3.36Å; F195-K214 HydrophobicContact CD1-CB 4.09Å; F195-K214 HydrophobicContact CD1-CG 4.12Å; F195-K214 HydrophobicContact CE1-CB 3.93Å; F195-K214 HydrophobicContact CE1-CD 3.87Å; F195-K214 HydrophobicContact CE1-CG 3.68Å; F195-K214 HydrophobicContact CZ-CD 4.19Å; F195-K214 HydrophobicContact CZ-CG 4.22Å; F195-M223 HydrophobicContact CB-CE 3.39Å; F195-M223 HydrophobicContact CD1-CE 4.02Å; F195-M223 HydrophobicContact CD2-CE 3.57Å; F195-M223 HydrophobicContact CE2-CE 4.38Å; F195-M223 HydrophobicContact CG-CE 3.37Å; F195-Y264 HydrophobicContact CZ-CD2 4.4Å; F195-F266 HydrophobicContact CD2-CE1 4.21Å; F195-F266 HydrophobicContact CD2-CZ 4.11Å; F195-F266 HydrophobicContact CE2-CD1 4.4Å; F195-F266 AromaticContact CE2-CE1 3.62Å; F195-F266 HydrophobicContact CE2-CE1 3.62Å; F195-F266 AromaticContact CE2-CZ 3.93Å; F195-F266 HydrophobicContact CE2-CZ 3.93Å; F195-F266 HydrophobicContact CZ-CE1 4.28Å; F195-I275 HydrophobicContact CD1-CD1 4.02Å; F195-I275 HydrophobicContact CD2-CD1 4.5Å; F195-I275 HydrophobicContact CE1-CD1 3.61Å; F195-I275 HydrophobicContact CE1-CG1 3.84Å; F195-I275 HydrophobicContact CE1-CG2 4.2Å; F195-I275 HydrophobicContact CE2-CD1 4.14Å; F195-I275 HydrophobicContact CE2-CG1 4.31Å; F195-I275 HydrophobicContact CG-CD1 4.46Å; F195-I275 HydrophobicContact CZ-CD1 3.69Å; F195-I275 HydrophobicContact CZ-CG1 3.62Å
196S93.8Very high89.8Confident57 Ų5747.1 Ų47.140%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-81.3105.7161.8-178.20000107.7H198 C212 R213S196-H198 PolarHBondContact O-CD2 3.49Å; S196-C212 CarbonylContact O-C 3.58Å; S196-C212 VanDerWaalsContact O-CA 3.27Å; S196-C212 WeakPolarHBondContact O-CA 3.21Å; S196-R213 PolarHBondContact N-O 3.34Å; S196-R213 PolarHBondContact O-N 3.28Å
197V92.5Very high89.7Confident63 Ų6344.4 Ų44.438%0.38226%0.255SS..EExtended strand (participates in β ladder)trans-82.3134.6179.6-174.90000109.4F195 Y210 M223F195-V197 HydrophobicContact CB-CG2 4.5Å; F195-V197 PolarHBondContact O-N 2.88Å; V197-Y210 HydrophobicContact CG1-CD1 3.57Å; V197-Y210 HydrophobicContact CG1-CE1 4.33Å; V197-Y210 HydrophobicContact CG1-CG 3.72Å; V197-M223 HydrophobicContact CG2-CE 4.09Å; V197-M223 HydrophobicContact CG2-SD 4.1Å
198H89.7Confident89.7Confident29 Ų2943.6 Ų43.613%0.13425%0.25CC..EExtended strand (participates in β ladder)trans-109.9-150.8177.1-62.1-83.5000109.5S12 Y13 A16 S196 G211S12-H198 PolarHBondContact OG-ND1 2.85Å; Y13-H198 HydrophobicContact CD2-CB 3.97Å; A16-H198 VanDerWaalsContact CB-CE1 3.41Å; A16-H198 WeakPolarHBondContact CB-CE1 3.42Å; S196-H198 PolarHBondContact O-CD2 3.49Å; H198-G211 WeakPolarHBondContact CA-O 3.45Å; H198-G211 WeakPolarHBondContact CB-O 3.1Å; H198-G211 PolarHBondContact N-O 3.33Å
199R85.9Confident89.6Confident9 Ų942.8 Ų42.83%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-62.9157-178.174-177.5-79-98.3-6.2113.6A9 D10 Y13 I201 Y210 G211 A485A9-R199 HydrophobicContact CB-CB 3.93Å; D10-R199 WeakPolarHBondContact OD1-CD 3.26Å; D10-R199 IonicContact OD1-CZ 3.8Å; D10-R199 IonicContact OD1-NE 2.8Å; D10-R199 PolarHBondContact OD1-NE 2.93Å; D10-R199 IonicContact OD1-NH2 2.67Å; Y13-R199 VanDerWaalsContact CD1-CD 3.44Å; Y13-R199 HydrophobicContact CD1-CG 3.91Å; Y13-R199 HydrophobicContact CD2-CG 3.99Å; Y13-R199 HydrophobicContact CE1-CG 4.5Å; Y13-R199 HydrophobicContact CG-CG 3.58Å; R199-I201 HydrophobicContact CG-CG2 4.02Å; R199-Y210 WeakPolarHBondContact O-CA 3.07Å; R199-G211 PolarHBondContact O-N 3.39Å; R199-A485 PolarHBondContact NH2-O 2.79Å
200I86.4Confident89.6Confident44 Ų4438.8 Ų38.823%0.22622%0.223CC..EExtended strand (participates in β ladder)trans-67.9133.2164.8-60.1170.7000108.1G202 E208 V209 Y210 I490I200-G202 WeakPolarHBondContact CG2-O 3.38Å; I200-E208 HydrophobicContact CD1-CG 4.5Å; I200-E208 HydrophobicContact CG2-CB 4.42Å; I200-V209 CarbonylContact C-O 3.46Å; I200-V209 WeakPolarHBondContact CA-O 3.44Å; I200-V209 WeakPolarHBondContact CG2-O 3.28Å; I200-Y210 HydrophobicContact CB-CD1 4.5Å; I200-Y210 HydrophobicContact CD1-CE1 4.03Å; I200-Y210 HydrophobicContact CG1-CD1 3.63Å; I200-Y210 HydrophobicContact CG1-CE1 3.31Å; I200-Y210 HydrophobicContact CG1-CG 4.46Å; I200-I490 HydrophobicContact CG2-CD1 3.99Å; I200-I490 HydrophobicContact CG2-CG2 4.02Å
201I85.6Confident89.5Confident29 Ų2937.9 Ų37.915%0.14922%0.218CC..EExtended strand (participates in β ladder)trans-117.9-6.3178.961174.6000112.6Y13 R199 V209 A222 L278 A484Y13-I201 HydrophobicContact CE1-CG2 4.32Å; Y13-I201 HydrophobicContact CE2-CG2 4.22Å; R199-I201 HydrophobicContact CG-CG2 4.02Å; I201-V209 HydrophobicContact CD1-CG1 3.95Å; I201-V209 HydrophobicContact CG1-CB 4.11Å; I201-V209 HydrophobicContact CG1-CG1 3.77Å; I201-V209 WeakPolarHBondContact CG1-O 3.46Å; I201-V209 PolarHBondContact N-O 2.69Å; I201-A222 HydrophobicContact CD1-CB 4.09Å; I201-L278 HydrophobicContact CD1-CD1 3.74Å; I201-A484 HydrophobicContact CB-CB 4.45Å
202G83.2Confident89.4Confident20 Ų2035 Ų3521%0.20620%0.2CC..EExtended strand (participates in β ladder)trans-174.3165.1176.400000112.6I200 V209I200-G202 WeakPolarHBondContact CG2-O 3.38Å; G202-V209 PolarHBondContact N-O 3.37Å; G202-V209 PolarHBondContact O-N 2.76Å
203R83.1Confident89.4Confident77 Ų7733.1 Ų33.129%0.29119%0.186SC..EExtended strand (participates in β ladder)trans-142.2138.5-179.6-175.1179.1-164.8-163.50.6111E208 I490 G491 S492 F493R203-E208 HydrophobicContact CG-CG 4.38Å; R203-I490 HydrophobicContact CB-CG2 3.54Å; R203-I490 WeakPolarHBondContact CD-O 3.14Å; R203-I490 HydrophobicContact CG-CG2 4.31Å; R203-I490 PolarHBondContact NH1-O 3.07Å; R203-G491 PolarHBondContact NH1-O 3.09Å; R203-G491 VanDerWaalsContact NH1-O 3.11Å; R203-S492 PolarHBondContact NH2-O 3.35Å; R203-F493 HydrophobicContact CG-CE2 4.07Å; R203-F493 HydrophobicContact CG-CZ 4.07Å
204G79.8Confident89.5Confident28 Ų2827.3 Ų27.329%0.28916%0.155SC..EExtended strand (participates in β ladder)trans-126.3-177.5177.300000112F206 G207 F493G204-F206 VanDerWaalsContact C-N 3.25Å; G204-F206 PolarHBondContact O-N 3.27Å; G204-G207 PolarHBondContact N-O 3.25Å; G204-G207 PolarHBondContact O-N 3.13Å; G204-F493 WeakPolarHBondContact O-CZ 3.34Å
205G78.5Confident89.4Confident17 Ų1725.8 Ų25.818%0.17515%0.147CC..THydrogen-bonded Turntrans-63.3-24.9-174.200000115.6K234G205-K234 PolarHBondContact O-NZ 3.33Å
206F86.3Confident89.3Confident23 Ų2327 Ų2710%0.10116%0.155CC..THydrogen-bonded Turntrans-114-5-176.1-53.5-66.2000114G204 L226 D227 I231 K234 L239G204-F206 VanDerWaalsContact C-N 3.25Å; G204-F206 PolarHBondContact O-N 3.27Å; F206-L226 HydrophobicContact CB-CB 4.33Å; F206-L226 HydrophobicContact CB-CD2 4.22Å; F206-D227 PolarHBondContact O-N 3.41Å; F206-I231 HydrophobicContact CB-CG1 4.05Å; F206-I231 HydrophobicContact CD1-CG1 4.11Å; F206-I231 HydrophobicContact CG-CG1 4.14Å; F206-K234 HydrophobicContact CD1-CB 4.47Å; F206-K234 HydrophobicContact CD1-CD 4.04Å; F206-K234 HydrophobicContact CE1-CB 3.77Å; F206-K234 HydrophobicContact CE1-CD 3.81Å; F206-K234 HydrophobicContact CE1-CG 4.41Å; F206-L239 HydrophobicContact CE2-CD1 4.1Å; F206-L239 HydrophobicContact CZ-CD1 4.09Å
207G90.5Very high89.3Confident5 Ų524.3 Ų24.35%0.05214%0.136CC..EExtended strand (participates in β ladder)trans172.8-165.6-169.400000115G204 C225G204-G207 PolarHBondContact N-O 3.25Å; G204-G207 PolarHBondContact O-N 3.13Å; G207-C225 CarbonylContact C-O 3.51Å; G207-C225 WeakPolarHBondContact CA-O 3.45Å
208E92.3Very high89.3Confident29 Ų2921.3 Ų21.314%0.13612%0.118CC..EExtended strand (participates in β ladder)trans-127.4155.1-169.3-67.7161168.900110.3I200 R203 Y210 C225 F493I200-E208 HydrophobicContact CD1-CG 4.5Å; I200-E208 HydrophobicContact CG2-CB 4.42Å; R203-E208 HydrophobicContact CG-CG 4.38Å; E208-Y210 HydrophobicContact CB-CD2 4.33Å; E208-Y210 HydrophobicContact CB-CE2 3.59Å; E208-Y210 PolarHBondContact OE2-OH 3.23Å; E208-C225 PolarHBondContact N-O 3.38Å; E208-C225 PolarHBondContact O-N 3.22Å; E208-F493 HydrophobicContact CG-CD2 4.08Å; E208-F493 HydrophobicContact CG-CE2 3.83Å; E208-F493 WeakPolarHBondContact OE1-CD2 3.5Å
209V92.4Very high89.4Confident30 Ų3022 Ų2218%0.18212%0.12CC..EExtended strand (participates in β ladder)trans-114130.1174.8-170.80000108.3I200 I201 G202 A222 M223 K224I200-V209 CarbonylContact C-O 3.46Å; I200-V209 WeakPolarHBondContact CA-O 3.44Å; I200-V209 WeakPolarHBondContact CG2-O 3.28Å; I201-V209 HydrophobicContact CD1-CG1 3.95Å; I201-V209 HydrophobicContact CG1-CB 4.11Å; I201-V209 HydrophobicContact CG1-CG1 3.77Å; I201-V209 WeakPolarHBondContact CG1-O 3.46Å; I201-V209 PolarHBondContact N-O 2.69Å; G202-V209 PolarHBondContact N-O 3.37Å; G202-V209 PolarHBondContact O-N 2.76Å; V209-A222 HydrophobicContact CG1-CB 4.03Å; V209-M223 CarbonylContact C-O 3.56Å; V209-M223 WeakPolarHBondContact CA-O 3.42Å; V209-K224 HydrophobicContact CG2-CB 4.07Å; V209-K224 HydrophobicContact CG2-CD 4.45Å; V209-K224 HydrophobicContact CG2-CG 3.99Å
210Y92.5Very high89.7Confident38 Ų3822.8 Ų22.815%0.14912%0.124CC..EExtended strand (participates in β ladder)trans-117.9146-179.1-59.7-102.2000110.7V197 R199 I200 E208 A222 M223 C225V197-Y210 HydrophobicContact CG1-CD1 3.57Å; V197-Y210 HydrophobicContact CG1-CE1 4.33Å; V197-Y210 HydrophobicContact CG1-CG 3.72Å; R199-Y210 WeakPolarHBondContact O-CA 3.07Å; I200-Y210 HydrophobicContact CB-CD1 4.5Å; I200-Y210 HydrophobicContact CD1-CE1 4.03Å; I200-Y210 HydrophobicContact CG1-CD1 3.63Å; I200-Y210 HydrophobicContact CG1-CE1 3.31Å; I200-Y210 HydrophobicContact CG1-CG 4.46Å; E208-Y210 HydrophobicContact CB-CD2 4.33Å; E208-Y210 HydrophobicContact CB-CE2 3.59Å; E208-Y210 PolarHBondContact OE2-OH 3.23Å; Y210-A222 CarbonylContact O-C 3.37Å; Y210-A222 WeakPolarHBondContact O-CA 3.35Å; Y210-M223 PolarHBondContact N-O 2.68Å; Y210-M223 PolarHBondContact O-N 2.87Å; Y210-C225 HydrophobicContact CE2-CB 4.2Å
211G92.5Very high90.1Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-68.1135.815800000109.6H198 R199H198-G211 WeakPolarHBondContact CA-O 3.45Å; H198-G211 WeakPolarHBondContact CB-O 3.1Å; H198-G211 PolarHBondContact N-O 3.33Å; R199-G211 PolarHBondContact O-N 3.39Å
212C94Very high90.5Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-144.7159.3176.474.10000112.4F195 S196 M220 Y221 M223F195-C212 HydrophobicContact CB-CB 4.4Å; S196-C212 CarbonylContact O-C 3.58Å; S196-C212 VanDerWaalsContact O-CA 3.27Å; S196-C212 WeakPolarHBondContact O-CA 3.21Å; C212-M220 WeakPolarHBondContact O-CA 3.44Å; C212-Y221 PolarHBondContact N-O 3.08Å; C212-Y221 PolarHBondContact O-N 3.4Å; C212-M223 HydrophobicContact CB-CB 4.25Å; C212-M223 HydrophobicContact CB-CE 4.37Å
213R93Very high91.2Very high25 Ų2519 Ų199%0.09410%0.101CC..EExtended strand (participates in β ladder)trans-117.8127.6172.6-175.3-169.4-58.4-782.6109.5A16 F195 S196 A215 G218 K219 M220A16-R213 VanDerWaalsContact CB-NH2 3.34Å; A16-R213 PolarHBondContact O-NH2 2.96Å; F195-R213 CarbonylContact C-O 3.39Å; F195-R213 VanDerWaalsContact CA-O 3.31Å; F195-R213 WeakPolarHBondContact CA-O 3.36Å; S196-R213 PolarHBondContact N-O 3.34Å; S196-R213 PolarHBondContact O-N 3.28Å; R213-A215 PolarHBondContact O-N 2.86Å; R213-G218 PolarHBondContact NH1-O 2.9Å; R213-K219 CarbonylContact C-O 3.6Å; R213-K219 WeakPolarHBondContact CA-O 3.42Å; R213-M220 HydrophobicContact CB-SD 3.68Å; R213-M220 HydrophobicContact CG-SD 3.98Å; R213-M220 VanDerWaalsContact CZ-SD 3.59Å
214K95.2Very high91.8Very high2 Ų216.5 Ų16.51%0.0099%0.092CC..EExtended strand (participates in β ladder)trans-72.9125.7172.3-160.4168.8157.6-830109.9F195 D216 G218 K219 Y221 Y264 E525F195-K214 HydrophobicContact CD1-CB 4.09Å; F195-K214 HydrophobicContact CD1-CG 4.12Å; F195-K214 HydrophobicContact CE1-CB 3.93Å; F195-K214 HydrophobicContact CE1-CD 3.87Å; F195-K214 HydrophobicContact CE1-CG 3.68Å; F195-K214 HydrophobicContact CZ-CD 4.19Å; F195-K214 HydrophobicContact CZ-CG 4.22Å; K214-D216 WeakPolarHBondContact CE-OD1 3.35Å; K214-D216 VanDerWaalsContact CG-OD1 3.32Å; K214-D216 WeakPolarHBondContact CG-OD1 3.36Å; K214-D216 IonicContact NZ-OD1 3.94Å; K214-D216 PolarHBondContact NZ-OD1 3.22Å; K214-D216 IonicContact NZ-OD2 3.56Å; K214-D216 PolarHBondContact NZ-OD2 3.41Å; K214-D216 PolarHBondContact O-N 3.49Å; K214-G218 VanDerWaalsContact O-CA 3.26Å; K214-G218 WeakPolarHBondContact O-CA 3.35Å; K214-G218 PolarHBondContact O-N 3.04Å; K214-K219 PolarHBondContact N-O 2.98Å; K214-Y221 HydrophobicContact CB-CD2 4.4Å; K214-Y264 HydrophobicContact CD-CD2 4.49Å; K214-Y264 HydrophobicContact CD-CE2 3.59Å; K214-Y264 VanDerWaalsContact CE-OH 3.31Å; K214-Y264 WeakPolarHBondContact CE-OH 3.35Å; K214-Y264 PolarHBondContact NZ-OH 3.19Å; K214-E525 WeakPolarHBondContact CD-OE1 3.42Å; K214-E525 IonicContact NZ-OE1 3.23Å; K214-E525 PolarHBondContact NZ-OE1 3.42Å
215A94.7Very high92.6Very high5 Ų515.8 Ų15.84%0.0418%0.082CC..THydrogen-bonded Turntrans-70.6-30-164.400000113.9A28 S29 K30 D194 R213A28-A215 CarbonylContact C-O 3.56Å; A28-A215 VanDerWaalsContact CA-O 3.3Å; A28-A215 WeakPolarHBondContact CA-O 3.47Å; S29-A215 PolarHBondContact N-O 3.01Å; S29-A215 PolarHBondContact OG-O 3.06Å; K30-A215 HydrophobicContact CB-CB 4.35Å; K30-A215 HydrophobicContact CD-CB 3.88Å; K30-A215 HydrophobicContact CG-CB 4.06Å; K30-A215 PolarHBondContact N-O 2.91Å; D194-A215 WeakPolarHBondContact O-CB 3.4Å; D194-A215 PolarHBondContact O-N 3.11Å; R213-A215 PolarHBondContact O-N 2.86Å
216D94.2Very high93.4Very high38 Ų3815.2 Ų15.220%0.2038%0.075CC..THydrogen-bonded Turntrans-87.2-22.1-174.463-12.9000114.4A28 K30 I32 K214A28-D216 VanDerWaalsContact CB-O 3.28Å; A28-D216 WeakPolarHBondContact CB-O 3.28Å; K30-D216 HydrophobicContact CB-CB 4.44Å; K30-D216 WeakPolarHBondContact O-CA 3.29Å; I32-D216 HydrophobicContact CD1-CB 4.33Å; I32-D216 HydrophobicContact CG1-CB 3.88Å; K214-D216 WeakPolarHBondContact CE-OD1 3.35Å; K214-D216 VanDerWaalsContact CG-OD1 3.32Å; K214-D216 WeakPolarHBondContact CG-OD1 3.36Å; K214-D216 IonicContact NZ-OD1 3.94Å; K214-D216 PolarHBondContact NZ-OD1 3.22Å; K214-D216 IonicContact NZ-OD2 3.56Å; K214-D216 PolarHBondContact NZ-OD2 3.41Å; K214-D216 PolarHBondContact O-N 3.49Å
217T94.1Very high93.9Very high0 Ų015.7 Ų15.70%08%0.079CC..THydrogen-bonded Turntrans-119.7-16.1-179.560.10000113.7P24 I32 K219 E525 I526 V530P24-T217 CarbonylContact C-O 3.56Å; P24-T217 VanDerWaalsContact O-O 3.11Å; I32-T217 HydrophobicContact CD1-CG2 4.32Å; T217-K219 PolarHBondContact O-N 2.98Å; T217-K219 PolarHBondContact OG1-N 2.81Å; T217-E525 VanDerWaalsContact CB-OE1 3.27Å; T217-E525 WeakPolarHBondContact CB-OE1 3.24Å; T217-E525 HydrophobicContact CG2-CG 3.99Å; T217-E525 WeakPolarHBondContact CG2-OE1 3.41Å; T217-E525 PolarHBondContact OG1-OE1 3.08Å; T217-I526 HydrophobicContact CG2-CD1 3.77Å; T217-V530 HydrophobicContact CG2-CG2 4.06Å
218G91.2Very high94.2Very high0 Ų015.5 Ų15.50%08%0.077CC..  trans73.43.6-176.600000114.6R27 R213 K214R27-G218 PolarHBondContact NH1-O 2.91Å; R213-G218 PolarHBondContact NH1-O 2.9Å; K214-G218 VanDerWaalsContact O-CA 3.26Å; K214-G218 WeakPolarHBondContact O-CA 3.35Å; K214-G218 PolarHBondContact O-N 3.04Å
219K92Very high94.4Very high42 Ų4216.4 Ų16.418%0.1838%0.08CC..  trans-68.2138.8179.5-169.7159.2-178.2162.60110.9R213 K214 T217 Y221 E525 E528 T529R213-K219 CarbonylContact C-O 3.6Å; R213-K219 WeakPolarHBondContact CA-O 3.42Å; K214-K219 PolarHBondContact N-O 2.98Å; T217-K219 PolarHBondContact O-N 2.98Å; T217-K219 PolarHBondContact OG1-N 2.81Å; K219-Y221 HydrophobicContact CB-CD2 4.49Å; K219-Y221 HydrophobicContact CB-CE2 3.91Å; K219-Y221 HydrophobicContact CD-CE2 3.97Å; K219-Y221 WeakPolarHBondContact CD-OH 3.4Å; K219-Y221 WeakPolarHBondContact CE-OH 3.49Å; K219-Y221 HydrophobicContact CG-CD2 4.31Å; K219-Y221 HydrophobicContact CG-CE2 3.66Å; K219-E525 HydrophobicContact CB-CG 4.17Å; K219-E525 HydrophobicContact CD-CB 3.8Å; K219-E525 HydrophobicContact CD-CG 3.58Å; K219-E525 HydrophobicContact CG-CG 4.48Å; K219-E528 IonicContact NZ-OE2 2.83Å; K219-E528 PolarHBondContact NZ-OE2 2.94Å; K219-T529 HydrophobicContact CB-CG2 4.46Å
220M91.4Very high94.5Very high26 Ų2615.5 Ų15.513%0.1287%0.074CC..EExtended strand (participates in β ladder)trans-89.7143.5178.7-66-63-65.900110.1A16 C212 R213 L278A16-M220 HydrophobicContact CB-CE 4.05Å; A16-M220 HydrophobicContact CB-SD 4.42Å; C212-M220 WeakPolarHBondContact O-CA 3.44Å; R213-M220 HydrophobicContact CB-SD 3.68Å; R213-M220 HydrophobicContact CG-SD 3.98Å; R213-M220 VanDerWaalsContact CZ-SD 3.59Å; M220-L278 HydrophobicContact CB-CD2 3.98Å; M220-L278 HydrophobicContact CE-CD2 4.35Å
221Y95Very high94.7Very high3 Ų313.7 Ų13.71%0.0127%0.066CC..EExtended strand (participates in β ladder)trans-147.7164.1-178.9-75.8-69.3000111.4C212 K214 K219 T263 Y264 I275 L276 E525C212-Y221 PolarHBondContact N-O 3.08Å; C212-Y221 PolarHBondContact O-N 3.4Å; K214-Y221 HydrophobicContact CB-CD2 4.4Å; K219-Y221 HydrophobicContact CB-CD2 4.49Å; K219-Y221 HydrophobicContact CB-CE2 3.91Å; K219-Y221 HydrophobicContact CD-CE2 3.97Å; K219-Y221 WeakPolarHBondContact CD-OH 3.4Å; K219-Y221 WeakPolarHBondContact CE-OH 3.49Å; K219-Y221 HydrophobicContact CG-CD2 4.31Å; K219-Y221 HydrophobicContact CG-CE2 3.66Å; Y221-T263 VanDerWaalsContact CE1-OG1 3.29Å; Y221-T263 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T263 PolarHBondContact OH-OG1 3.27Å; Y221-Y264 HydrophobicContact CE2-CE2 4.22Å; Y221-I275 HydrophobicContact CD1-CG2 3.65Å; Y221-I275 HydrophobicContact CD2-CG2 3.7Å; Y221-I275 HydrophobicContact CE1-CG2 4.24Å; Y221-I275 HydrophobicContact CE2-CG2 4.29Å; Y221-I275 HydrophobicContact CG-CG2 3.34Å; Y221-L276 VanDerWaalsContact CD1-O 3.31Å; Y221-L276 WeakPolarHBondContact CD1-O 3.47Å; Y221-E525 WeakPolarHBondContact CE2-OE2 3.29Å; Y221-E525 PolarHBondContact OH-OE2 3.25Å
222A95.2Very high94.9Very high7 Ų716.8 Ų16.86%0.0588%0.08CC..EExtended strand (participates in β ladder)trans-91.7133159.400000109.7I201 V209 Y210 I275 L276 L278I201-A222 HydrophobicContact CD1-CB 4.09Å; V209-A222 HydrophobicContact CG1-CB 4.03Å; Y210-A222 CarbonylContact O-C 3.37Å; Y210-A222 WeakPolarHBondContact O-CA 3.35Å; A222-I275 WeakPolarHBondContact O-CA 3.32Å; A222-L276 HydrophobicContact CB-CB 4.36Å; A222-L276 PolarHBondContact N-O 2.98Å; A222-L276 PolarHBondContact O-N 2.69Å; A222-L278 HydrophobicContact CB-CD1 4.13Å
223M97.2Very high94.9Very high3 Ų320.6 Ų20.62%0.01510%0.099CC..EExtended strand (participates in β ladder)trans-109.1105174.4-178.6-173.8-70.400109.4F195 V197 V209 Y210 C212 C225 F266 F274 I275F195-M223 HydrophobicContact CB-CE 3.39Å; F195-M223 HydrophobicContact CD1-CE 4.02Å; F195-M223 HydrophobicContact CD2-CE 3.57Å; F195-M223 HydrophobicContact CE2-CE 4.38Å; F195-M223 HydrophobicContact CG-CE 3.37Å; V197-M223 HydrophobicContact CG2-CE 4.09Å; V197-M223 HydrophobicContact CG2-SD 4.1Å; V209-M223 CarbonylContact C-O 3.56Å; V209-M223 WeakPolarHBondContact CA-O 3.42Å; Y210-M223 PolarHBondContact N-O 2.68Å; Y210-M223 PolarHBondContact O-N 2.87Å; C212-M223 HydrophobicContact CB-CB 4.25Å; C212-M223 HydrophobicContact CB-CE 4.37Å; M223-C225 VanDerWaalsContact CG-SG 3.57Å; M223-F266 HydrophobicContact CE-CZ 4.26Å; M223-F274 CarbonylContact C-O 3.59Å; M223-F274 VanDerWaalsContact CA-O 3.31Å; M223-F274 WeakPolarHBondContact CA-O 3.39Å; M223-I275 HydrophobicContact CB-CD1 3.94Å; M223-I275 HydrophobicContact CE-CD1 3.75Å; M223-I275 HydrophobicContact CG-CD1 3.83Å
224K95.8Very high94.9Very high26 Ų2624.2 Ų24.211%0.11312%0.115CC..EExtended strand (participates in β ladder)trans-87.1109.9172.8-178.4173.3-176.8-177.30108.7V209 L226 E243 C273 F274 L276 D340V209-K224 HydrophobicContact CG2-CB 4.07Å; V209-K224 HydrophobicContact CG2-CD 4.45Å; V209-K224 HydrophobicContact CG2-CG 3.99Å; K224-L226 HydrophobicContact CD-CD2 4.47Å; K224-L226 HydrophobicContact CG-CD2 3.95Å; K224-E243 VanDerWaalsContact NZ-CD 3.31Å; K224-E243 IonicContact NZ-OE1 3.04Å; K224-E243 PolarHBondContact NZ-OE1 3.13Å; K224-E243 IonicContact NZ-OE2 2.63Å; K224-E243 PolarHBondContact NZ-OE2 3.07Å; K224-C273 WeakPolarHBondContact O-CA 3.34Å; K224-F274 HydrophobicContact CB-CB 4.25Å; K224-F274 HydrophobicContact CB-CD2 4.39Å; K224-F274 HydrophobicContact CG-CD2 4.39Å; K224-F274 PolarHBondContact N-O 3.1Å; K224-F274 PolarHBondContact O-N 3.38Å; K224-L276 HydrophobicContact CB-CD1 4.12Å; K224-L276 HydrophobicContact CD-CD1 4.39Å; K224-D340 IonicContact NZ-OD1 3.5Å; K224-D340 PolarHBondContact NZ-OD1 3.08Å; K224-D340 VanDerWaalsContact NZ-OD1 3.08Å
225C96.9Very high94.8Very high12 Ų1226.1 Ų26.18%0.08114%0.135CC..EExtended strand (participates in β ladder)trans-105.3111.3-179.1-74.20000110.6G207 E208 Y210 M223 K271 L272 C273G207-C225 CarbonylContact C-O 3.51Å; G207-C225 WeakPolarHBondContact CA-O 3.45Å; E208-C225 PolarHBondContact N-O 3.38Å; E208-C225 PolarHBondContact O-N 3.22Å; Y210-C225 HydrophobicContact CE2-CB 4.2Å; M223-C225 VanDerWaalsContact CG-SG 3.57Å; C225-K271 HydrophobicContact CB-CD 4.3Å; C225-L272 CarbonylContact C-O 3.54Å; C225-L272 WeakPolarHBondContact CA-O 3.15Å; C225-C273 VanDerWaalsContact SG-SG 3.65Å
226L95.9Very high94.8Very high5 Ų525.9 Ų25.93%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-96.5133.5174.2-45.9-174.1000110.6F206 K224 I231 A240 K271 L272 F274F206-L226 HydrophobicContact CB-CB 4.33Å; F206-L226 HydrophobicContact CB-CD2 4.22Å; K224-L226 HydrophobicContact CD-CD2 4.47Å; K224-L226 HydrophobicContact CG-CD2 3.95Å; L226-I231 HydrophobicContact CB-CD1 3.79Å; L226-I231 HydrophobicContact CB-CG1 4.48Å; L226-I231 HydrophobicContact CD1-CD1 4.33Å; L226-A240 HydrophobicContact CD1-CB 4.04Å; L226-K271 CarbonylContact O-C 3.53Å; L226-K271 VanDerWaalsContact O-CA 3.24Å; L226-K271 WeakPolarHBondContact O-CA 3.38Å; L226-L272 HydrophobicContact CB-CB 4.33Å; L226-L272 PolarHBondContact N-O 3.46Å; L226-L272 PolarHBondContact O-N 2.98Å; L226-F274 HydrophobicContact CD1-CE2 3.76Å; L226-F274 HydrophobicContact CG-CE2 4.12Å
227D95.9Very high94.9Very high34 Ų3425.9 Ų25.918%0.18213%0.132CC..EExtended strand (participates in β ladder)trans-83.7121.8178-178-55.9000110.7F206 K229 R230 I231F206-D227 PolarHBondContact O-N 3.41Å; D227-K229 VanDerWaalsContact C-N 3.33Å; D227-K229 PolarHBondContact O-N 2.89Å; D227-K229 VanDerWaalsContact OD1-CA 3.31Å; D227-K229 WeakPolarHBondContact OD1-CA 3.46Å; D227-K229 VanDerWaalsContact OD1-CB 3.24Å; D227-K229 WeakPolarHBondContact OD1-CB 3.18Å; D227-K229 PolarHBondContact OD1-N 3.41Å; D227-R230 HydrophobicContact CB-CB 4.01Å; D227-R230 HydrophobicContact CB-CG 3.94Å; D227-R230 PolarHBondContact O-N 3.25Å; D227-R230 PolarHBondContact OD1-N 3.44Å; D227-I231 WeakPolarHBondContact O-CG1 3.29Å; D227-I231 PolarHBondContact O-N 3.08Å
228K97.2Very high94.9Very high1 Ų131.3 Ų31.30%0.00417%0.166CC..Hα-helixtrans-64.3-33.5-177.8-72.4177.2172.5176.40113K232 T268 E270 L272 L503 Y511K228-K232 WeakPolarHBondContact O-CB 3.4Å; K228-K232 PolarHBondContact O-N 2.84Å; K228-T268 PolarHBondContact NZ-O 3.08Å; K228-E270 VanDerWaalsContact CB-O 3.29Å; K228-E270 WeakPolarHBondContact CB-O 3.27Å; K228-E270 WeakPolarHBondContact CG-O 3.37Å; K228-E270 PolarHBondContact N-O 2.97Å; K228-L272 HydrophobicContact CG-CG 4.18Å; K228-L503 HydrophobicContact CB-CD1 3.7Å; K228-L503 HydrophobicContact CB-CD2 3.86Å; K228-L503 HydrophobicContact CB-CG 4.45Å; K228-L503 HydrophobicContact CD-CD1 4.28Å; K228-Y511 HydrophobicContact CD-CD2 4.15Å; K228-Y511 HydrophobicContact CD-CE2 4.16Å; K228-Y511 HydrophobicContact CG-CE2 4.13Å
229K96.3Very high95Very high47 Ų4732.8 Ų32.820%0.20417%0.173CC..Hα-helixtrans-67.5-41.6175.4-62.5173.3-1751530109.8D227 K232 M233 E270 T498 I501 L503D227-K229 VanDerWaalsContact C-N 3.33Å; D227-K229 PolarHBondContact O-N 2.89Å; D227-K229 VanDerWaalsContact OD1-CA 3.31Å; D227-K229 WeakPolarHBondContact OD1-CA 3.46Å; D227-K229 VanDerWaalsContact OD1-CB 3.24Å; D227-K229 WeakPolarHBondContact OD1-CB 3.18Å; D227-K229 PolarHBondContact OD1-N 3.41Å; K229-K232 PolarHBondContact O-N 3.34Å; K229-M233 WeakPolarHBondContact O-CB 3.28Å; K229-M233 PolarHBondContact O-N 2.82Å; K229-E270 IonicContact NZ-OE1 3.43Å; K229-E270 PolarHBondContact NZ-OE1 3.15Å; K229-T498 HydrophobicContact CB-CG2 4.11Å; K229-I501 HydrophobicContact CB-CB 4.23Å; K229-I501 HydrophobicContact CB-CG2 4.03Å; K229-I501 HydrophobicContact CG-CG2 4.34Å; K229-L503 HydrophobicContact CG-CD1 4.22Å; K229-L503 HydrophobicContact CG-CD2 4.42Å; K229-L503 HydrophobicContact CG-CG 4.1Å
230R95.2Very high95.2Very high11 Ų1130.9 Ų30.94%0.04217%0.165CC..Hα-helixtrans-66.5-40.1175.9-67.6-173168.4-85-7.8112.5D227 M233 K234 F493 D494 D497 T498D227-R230 HydrophobicContact CB-CB 4.01Å; D227-R230 HydrophobicContact CB-CG 3.94Å; D227-R230 PolarHBondContact O-N 3.25Å; D227-R230 PolarHBondContact OD1-N 3.44Å; R230-M233 WeakPolarHBondContact O-CB 3.32Å; R230-M233 PolarHBondContact O-N 3.49Å; R230-K234 PolarHBondContact O-N 3.42Å; R230-F493 VanDerWaalsContact NH2-CB 3.34Å; R230-D494 PolarHBondContact NH2-O 2.85Å; R230-D497 IonicContact CZ-OD2 3.9Å; R230-D497 IonicContact NH1-OD2 2.82Å; R230-D497 PolarHBondContact NH1-OD2 3.25Å; R230-D497 IonicContact NH2-OD2 2.85Å; R230-D497 PolarHBondContact NH2-OD2 2.96Å; R230-T498 HydrophobicContact CG-CG2 3.52Å
231I96.1Very high95.4Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-57.4-52.3173-69.8167.4000109.7F206 L226 D227 M233 K234 G235 G236 E237 A240 L272 Y511F206-I231 HydrophobicContact CB-CG1 4.05Å; F206-I231 HydrophobicContact CD1-CG1 4.11Å; F206-I231 HydrophobicContact CG-CG1 4.14Å; L226-I231 HydrophobicContact CB-CD1 3.79Å; L226-I231 HydrophobicContact CB-CG1 4.48Å; L226-I231 HydrophobicContact CD1-CD1 4.33Å; D227-I231 WeakPolarHBondContact O-CG1 3.29Å; D227-I231 PolarHBondContact O-N 3.08Å; I231-M233 VanDerWaalsContact C-N 3.35Å; I231-M233 PolarHBondContact O-N 3.29Å; I231-K234 CarbonylContact O-C 3.59Å; I231-K234 PolarHBondContact O-N 3.48Å; I231-K234 VanDerWaalsContact O-N 3.15Å; I231-G235 PolarHBondContact O-N 2.9Å; I231-G236 VanDerWaalsContact CG2-C 3.45Å; I231-G236 PolarHBondContact O-N 3.42Å; I231-E237 HydrophobicContact CG2-CB 4.33Å; I231-E237 HydrophobicContact CG2-CG 3.9Å; I231-A240 HydrophobicContact CD1-CB 3.95Å; I231-L272 HydrophobicContact CD1-CD1 3.77Å; I231-L272 HydrophobicContact CD1-CG 4.42Å; I231-Y511 WeakPolarHBondContact CG2-OH 3.3Å
232K96Very high95.4Very high66 Ų6633.7 Ų33.729%0.28718%0.181SC..Hα-helixtrans-60.2-42.4179.6-179.4172.3-179.1172.30112.8K228 K229 K234 G235 E237 I501 K502 L503 D507K228-K232 WeakPolarHBondContact O-CB 3.4Å; K228-K232 PolarHBondContact O-N 2.84Å; K229-K232 PolarHBondContact O-N 3.34Å; K232-K234 PolarHBondContact O-N 2.87Å; K232-G235 PolarHBondContact O-N 3Å; K232-E237 WeakPolarHBondContact CA-OE1 3.39Å; K232-I501 HydrophobicContact CB-CG2 4.41Å; K232-I501 HydrophobicContact CD-CG2 3.98Å; K232-I501 HydrophobicContact CG-CG2 4.31Å; K232-K502 PolarHBondContact NZ-O 2.89Å; K232-L503 HydrophobicContact CD-CD2 4.35Å; K232-D507 IonicContact NZ-OD1 2.67Å; K232-D507 PolarHBondContact NZ-OD1 2.67Å; K232-D507 IonicContact NZ-OD2 3.06Å; K232-D507 PolarHBondContact NZ-OD2 3.47Å
233M93.8Very high95.5Very high79 Ų7933.9 Ų33.939%0.38918%0.18SC..Hα-helixtrans-55.3-39.3176.8-168.4172.46700112.5K229 R230 I231 D497 I501K229-M233 WeakPolarHBondContact O-CB 3.28Å; K229-M233 PolarHBondContact O-N 2.82Å; R230-M233 WeakPolarHBondContact O-CB 3.32Å; R230-M233 PolarHBondContact O-N 3.49Å; I231-M233 VanDerWaalsContact C-N 3.35Å; I231-M233 PolarHBondContact O-N 3.29Å; M233-D497 HydrophobicContact CE-CB 4.47Å; M233-D497 HydrophobicContact SD-CB 4.4Å; M233-I501 HydrophobicContact CB-CD1 3.34Å; M233-I501 HydrophobicContact CG-CD1 3.54Å; M233-I501 HydrophobicContact SD-CD1 3.89Å
234K93Very high95.5Very high101 Ų10135.6 Ų35.644%0.43919%0.187SC..Hα-helixtrans-100.10-172.7-69.4-175.7175.7-173.10113.6G205 F206 R230 I231 K232 G236G205-K234 PolarHBondContact O-NZ 3.33Å; F206-K234 HydrophobicContact CD1-CB 4.47Å; F206-K234 HydrophobicContact CD1-CD 4.04Å; F206-K234 HydrophobicContact CE1-CB 3.77Å; F206-K234 HydrophobicContact CE1-CD 3.81Å; F206-K234 HydrophobicContact CE1-CG 4.41Å; R230-K234 PolarHBondContact O-N 3.42Å; I231-K234 CarbonylContact O-C 3.59Å; I231-K234 PolarHBondContact O-N 3.48Å; I231-K234 VanDerWaalsContact O-N 3.15Å; K232-K234 PolarHBondContact O-N 2.87Å; K234-G236 VanDerWaalsContact C-N 3.28Å; K234-G236 PolarHBondContact O-N 2.85Å
235G94.7Very high95.5Very high42 Ų4237 Ų3743%0.43320%0.197SC..THydrogen-bonded Turntrans62.532.9-174.200000113.6I231 K232 E237I231-G235 PolarHBondContact O-N 2.9Å; K232-G235 PolarHBondContact O-N 3Å; G235-E237 VanDerWaalsContact CA-OE2 3.25Å; G235-E237 WeakPolarHBondContact CA-OE2 3.21Å
236G94.3Very high95.5Very high0 Ų036.6 Ų36.60%019%0.194CC..  trans-88.58.9-172.600000115.4I231 K234 T238 L239 A240I231-G236 VanDerWaalsContact CG2-C 3.45Å; I231-G236 PolarHBondContact O-N 3.42Å; K234-G236 VanDerWaalsContact C-N 3.28Å; K234-G236 PolarHBondContact O-N 2.85Å; G236-T238 VanDerWaalsContact C-N 3.32Å; G236-T238 PolarHBondContact O-N 2.75Å; G236-L239 PolarHBondContact O-N 3.25Å; G236-L239 VanDerWaalsContact O-N 3.12Å; G236-A240 PolarHBondContact O-N 3.01Å; G236-A240 VanDerWaalsContact O-N 3.07Å
237E96.1Very high95.5Very high39 Ų3936.5 Ų36.518%0.18219%0.194CC..Hα-helixtrans-59.5-44.1-170.9-61.685.5168.900111.4I231 K232 G235 L239 A240 L241 L510 Y511I231-E237 HydrophobicContact CG2-CB 4.33Å; I231-E237 HydrophobicContact CG2-CG 3.9Å; K232-E237 WeakPolarHBondContact CA-OE1 3.39Å; G235-E237 VanDerWaalsContact CA-OE2 3.25Å; G235-E237 WeakPolarHBondContact CA-OE2 3.21Å; E237-L239 VanDerWaalsContact C-N 3.32Å; E237-L239 PolarHBondContact O-N 3.28Å; E237-A240 PolarHBondContact O-N 3.42Å; E237-L241 WeakPolarHBondContact O-CB 3.31Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 3.01Å; E237-L510 HydrophobicContact CB-CD1 4.36Å; E237-L510 HydrophobicContact CG-CD1 3.97Å; E237-Y511 WeakPolarHBondContact CG-OH 3.5Å
238T94.3Very high95.5Very high114 Ų11436 Ų3670%0.69919%0.193SC*.Hα-helixtrans-62.6-38.5178.1-55.60000111.7G236 N242G236-T238 VanDerWaalsContact C-N 3.32Å; G236-T238 PolarHBondContact O-N 2.75Å; T238-N242 WeakPolarHBondContact O-CB 3.25Å; T238-N242 PolarHBondContact O-N 3.19Å
239L92.8Very high95.4Very high30 Ų3038.9 Ų38.916%0.15721%0.208CC..Hα-helixtrans-67.2-45.8177.8-74.5177.6000111.7F206 G236 E237 L241 N242 E243 L343 V815F206-L239 HydrophobicContact CE2-CD1 4.1Å; F206-L239 HydrophobicContact CZ-CD1 4.09Å; G236-L239 PolarHBondContact O-N 3.25Å; G236-L239 VanDerWaalsContact O-N 3.12Å; E237-L239 VanDerWaalsContact C-N 3.32Å; E237-L239 PolarHBondContact O-N 3.28Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.2Å; L239-N242 PolarHBondContact O-N 3.06Å; L239-E243 PolarHBondContact O-N 2.68Å; L239-L343 HydrophobicContact CD2-CD2 3.77Å; L239-V815 HydrophobicContact CD1-CB 3.87Å; L239-V815 HydrophobicContact CD1-CG1 3.31Å; L239-V815 HydrophobicContact CG-CG1 4.41Å
240A95.7Very high95.3Very high2 Ų236.7 Ų36.72%0.01720%0.199CC..Hα-helixtrans-63-41.1179.300000112L226 I231 G236 E237 R244 L272L226-A240 HydrophobicContact CD1-CB 4.04Å; I231-A240 HydrophobicContact CD1-CB 3.95Å; G236-A240 PolarHBondContact O-N 3.01Å; G236-A240 VanDerWaalsContact O-N 3.07Å; E237-A240 PolarHBondContact O-N 3.42Å; A240-R244 PolarHBondContact O-N 3.33Å; A240-L272 HydrophobicContact CB-CD1 3.94Å
241L96.5Very high95.3Very high50 Ų5036.5 Ų36.526%0.26220%0.199SC..Hα-helixtrans-69.4-39.6175-71.4172.4000112E237 L239 R244 V245 Y511 F514E237-L241 WeakPolarHBondContact O-CB 3.31Å; E237-L241 WeakPolarHBondContact O-CG 3.48Å; E237-L241 PolarHBondContact O-N 3.01Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.2Å; L241-R244 PolarHBondContact O-N 3.16Å; L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 2.78Å; L241-V245 VanDerWaalsContact O-N 3.07Å; L241-Y511 HydrophobicContact CD2-CD1 4.02Å; L241-Y511 HydrophobicContact CG-CD1 4.41Å; L241-Y511 HydrophobicContact CG-CE1 4.42Å; L241-F514 HydrophobicContact CD2-CD2 4.38Å
242N95.2Very high94.9Very high39 Ų3939.7 Ų39.721%0.20922%0.219CC..Hα-helixtrans-61-47.2176.3-175.865.9000110.9T238 L239 R244 V245 M246 G342 A344T238-N242 WeakPolarHBondContact O-CB 3.25Å; T238-N242 PolarHBondContact O-N 3.19Å; L239-N242 PolarHBondContact O-N 3.06Å; N242-R244 VanDerWaalsContact C-N 3.27Å; N242-R244 PolarHBondContact O-N 2.95Å; N242-V245 PolarHBondContact O-N 3.23Å; N242-M246 VanDerWaalsContact O-CG 3.3Å; N242-M246 WeakPolarHBondContact O-CG 3.26Å; N242-M246 PolarHBondContact O-N 2.97Å; N242-G342 PolarHBondContact ND2-O 3.07Å; N242-A344 PolarHBondContact ND2-O 2.86Å
243E95.9Very high94.2Very high10 Ų1038.1 Ų38.15%0.04722%0.221CC..Hα-helixtrans-54.4-44.8176.9-166174.3175.400111.2K224 L239 V245 M246 L247 F274K224-E243 VanDerWaalsContact NZ-CD 3.31Å; K224-E243 IonicContact NZ-OE1 3.04Å; K224-E243 PolarHBondContact NZ-OE1 3.13Å; K224-E243 IonicContact NZ-OE2 2.63Å; K224-E243 PolarHBondContact NZ-OE2 3.07Å; L239-E243 PolarHBondContact O-N 2.68Å; E243-V245 PolarHBondContact O-N 2.85Å; E243-M246 PolarHBondContact O-N 2.8Å; E243-L247 HydrophobicContact CG-CD1 3.9Å; E243-L247 HydrophobicContact CG-CG 4.37Å; E243-L247 VanDerWaalsContact O-CB 3.26Å; E243-L247 WeakPolarHBondContact O-CB 3.47Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.48Å; E243-L247 PolarHBondContact O-N 3.29Å; E243-F274 HydrophobicContact CB-CZ 4.27Å; E243-F274 HydrophobicContact CG-CZ 4.4Å
244R97.1Very high93Very high39 Ų3940.6 Ų40.615%0.14724%0.236CC..Hα-helixtrans-61-41.9176-169.5-129.859.772.9-7112.9A240 L241 N242 S248 A265 F274 F514A240-R244 PolarHBondContact O-N 3.33Å; L241-R244 PolarHBondContact O-N 3.16Å; N242-R244 VanDerWaalsContact C-N 3.27Å; N242-R244 PolarHBondContact O-N 2.95Å; R244-S248 PolarHBondContact NH1-OG 2.92Å; R244-S248 WeakPolarHBondContact O-CB 3.36Å; R244-S248 PolarHBondContact O-N 2.62Å; R244-S248 PolarHBondContact O-OG 3.2Å; R244-A265 HydrophobicContact CG-CB 4.2Å; R244-F274 HydrophobicContact CB-CE1 3.77Å; R244-F274 HydrophobicContact CB-CZ 4.26Å; R244-F274 HydrophobicContact CG-CE1 4.22Å; R244-F514 HydrophobicContact CB-CD2 4.19Å; R244-F514 HydrophobicContact CB-CE2 3.86Å; R244-F514 WeakPolarHBondContact CD-O 3.48Å; R244-F514 HydrophobicContact CG-CD2 4.1Å; R244-F514 HydrophobicContact CG-CE2 4.01Å; R244-F514 HydrophobicContact CG-CZ 4.49Å
245V96.8Very high92.1Very high55 Ų5538.1 Ų38.133%0.33324%0.239SC..Hα-helixtrans-65.5-51.1176.9-179.40000110.1L241 N242 E243 L247 S248 L249L241-V245 WeakPolarHBondContact O-CG2 3.33Å; L241-V245 PolarHBondContact O-N 2.78Å; L241-V245 VanDerWaalsContact O-N 3.07Å; N242-V245 PolarHBondContact O-N 3.23Å; E243-V245 PolarHBondContact O-N 2.85Å; V245-L247 PolarHBondContact O-N 3.26Å; V245-S248 PolarHBondContact O-N 3.44Å; V245-S248 VanDerWaalsContact O-N 3.09Å; V245-S248 PolarHBondContact O-OG 3.4Å; V245-L249 HydrophobicContact CG1-CD1 4.22Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 2.86Å
246M96.6Very high91.8Very high5 Ų536.4 Ų36.43%0.02522%0.22CC..Hα-helixtrans-60.6-47.4-177.9-63.4-58.8102.200111.1N242 E243 S248 L249 V250 I318 L341 A344 D346N242-M246 VanDerWaalsContact O-CG 3.3Å; N242-M246 WeakPolarHBondContact O-CG 3.26Å; N242-M246 PolarHBondContact O-N 2.97Å; E243-M246 PolarHBondContact O-N 2.8Å; M246-S248 VanDerWaalsContact C-N 3.3Å; M246-S248 PolarHBondContact O-N 3.46Å; M246-L249 HydrophobicContact CE-CD1 3.98Å; M246-L249 PolarHBondContact O-N 3.43Å; M246-L249 VanDerWaalsContact O-N 3.12Å; M246-V250 WeakPolarHBondContact O-CG2 3.34Å; M246-V250 PolarHBondContact O-N 2.87Å; M246-V250 VanDerWaalsContact O-N 3.08Å; M246-I318 HydrophobicContact SD-CG2 4.27Å; M246-L341 HydrophobicContact CB-CB 4Å; M246-L341 HydrophobicContact CB-CD2 4.15Å; M246-A344 HydrophobicContact CB-CB 4.23Å; M246-A344 HydrophobicContact CG-CB 3.87Å; M246-A344 HydrophobicContact SD-CB 4.19Å; M246-D346 HydrophobicContact CE-CB 4.13Å
247L96.7Very high91.8Very high3 Ų337.1 Ų37.12%0.01623%0.225CC..Hα-helixtrans-56.8-42.8173.9-77.3170.4000111.6E243 V245 L249 V250 S251 M262 F274 L276 L341E243-L247 HydrophobicContact CG-CD1 3.9Å; E243-L247 HydrophobicContact CG-CG 4.37Å; E243-L247 VanDerWaalsContact O-CB 3.26Å; E243-L247 WeakPolarHBondContact O-CB 3.47Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.48Å; E243-L247 PolarHBondContact O-N 3.29Å; V245-L247 PolarHBondContact O-N 3.26Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.14Å; L247-V250 WeakPolarHBondContact O-CG2 3.34Å; L247-V250 PolarHBondContact O-N 3.04Å; L247-S251 WeakPolarHBondContact O-CB 3.5Å; L247-S251 PolarHBondContact O-N 2.94Å; L247-S251 PolarHBondContact O-OG 3.31Å; L247-M262 HydrophobicContact CB-CB 3.9Å; L247-M262 HydrophobicContact CB-CE 4.04Å; L247-M262 HydrophobicContact CB-SD 4.09Å; L247-M262 HydrophobicContact CD1-CB 4.28Å; L247-M262 HydrophobicContact CD1-SD 4.22Å; L247-M262 HydrophobicContact CD2-CB 4.28Å; L247-M262 HydrophobicContact CG-CB 4.4Å; L247-F274 HydrophobicContact CD1-CD1 3.64Å; L247-F274 HydrophobicContact CD1-CE1 3.94Å; L247-F274 HydrophobicContact CD1-CG 4.36Å; L247-L276 HydrophobicContact CD1-CD2 3.9Å; L247-L276 HydrophobicContact CD2-CD2 4.18Å; L247-L341 HydrophobicContact CD2-CD1 4.1Å
248S95.6Very high91.9Very high22 Ų2235.3 Ų35.315%0.15422%0.217CC..Hα-helixtrans-64-35.4177.9640000113.5R244 V245 M246 T252R244-S248 PolarHBondContact NH1-OG 2.92Å; R244-S248 WeakPolarHBondContact O-CB 3.36Å; R244-S248 PolarHBondContact O-N 2.62Å; R244-S248 PolarHBondContact O-OG 3.2Å; V245-S248 PolarHBondContact O-N 3.44Å; V245-S248 VanDerWaalsContact O-N 3.09Å; V245-S248 PolarHBondContact O-OG 3.4Å; M246-S248 VanDerWaalsContact C-N 3.3Å; M246-S248 PolarHBondContact O-N 3.46Å; S248-T252 WeakPolarHBondContact O-CG2 3.22Å; S248-T252 PolarHBondContact O-OG1 2.88Å
249L94.6Very high92.1Very high62 Ų6229.9 Ų29.933%0.32518%0.183SC..Hα-helixtrans-73.2-37.1179.6-65.7172.3000112.6V245 M246 L247 T252 R316 I318 D346V245-L249 HydrophobicContact CG1-CD1 4.22Å; V245-L249 WeakPolarHBondContact O-CG 3.46Å; V245-L249 PolarHBondContact O-N 2.86Å; M246-L249 HydrophobicContact CE-CD1 3.98Å; M246-L249 PolarHBondContact O-N 3.43Å; M246-L249 VanDerWaalsContact O-N 3.12Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.14Å; L249-T252 PolarHBondContact O-OG1 3.37Å; L249-R316 WeakPolarHBondContact O-CD 3Å; L249-I318 HydrophobicContact CB-CD1 3.69Å; L249-I318 HydrophobicContact CD1-CD1 4.2Å; L249-D346 HydrophobicContact CD1-CB 4.46Å
250V95.1Very high92.3Very high2 Ų228.7 Ų28.71%0.01218%0.177CC..Hα-helixtrans-82.2-23.6-179.5-58.60000113.5M246 L247 I259 H312 M313 I318 L341M246-V250 WeakPolarHBondContact O-CG2 3.34Å; M246-V250 PolarHBondContact O-N 2.87Å; M246-V250 VanDerWaalsContact O-N 3.08Å; L247-V250 WeakPolarHBondContact O-CG2 3.34Å; L247-V250 PolarHBondContact O-N 3.04Å; V250-I259 HydrophobicContact CG2-CG2 4.26Å; V250-H312 PolarHBondContact O-NE2 3.17Å; V250-M313 HydrophobicContact CG1-CG 4.15Å; V250-I318 HydrophobicContact CG1-CD1 3.55Å; V250-L341 HydrophobicContact CB-CD2 4.35Å; V250-L341 HydrophobicContact CG1-CD2 3.79Å; V250-L341 HydrophobicContact CG2-CD2 3.64Å
251S94.8Very high92.3Very high6 Ų628.8 Ų28.84%0.04218%0.178CC..SBendtrans-87.8-3.6-174.4-51.60000114.4L247 C261 M262 V518L247-S251 WeakPolarHBondContact O-CB 3.5Å; L247-S251 PolarHBondContact O-N 2.94Å; L247-S251 PolarHBondContact O-OG 3.31Å; S251-C261 WeakPolarHBondContact OG-CB 3.16Å; S251-M262 WeakPolarHBondContact CB-O 3.48Å; S251-M262 PolarHBondContact OG-N 3.3Å; S251-M262 PolarHBondContact OG-O 3.43Å; S251-V518 WeakPolarHBondContact O-CG1 3.39Å
252T87.2Confident92.4Very high68 Ų6826.4 Ų26.442%0.41717%0.165SC..SBendtrans-104.7143.8-178.753.40000112.4S248 L249 R316 V518S248-T252 WeakPolarHBondContact O-CG2 3.22Å; S248-T252 PolarHBondContact O-OG1 2.88Å; L249-T252 PolarHBondContact O-OG1 3.37Å; T252-R316 PolarHBondContact O-NH2 2.66Å; T252-V518 HydrophobicContact CG2-CG1 4.03Å
253G81Confident92.5Very high33 Ų3324.5 Ų24.534%0.3416%0.155SC..SBendtrans83-165.3-175.200000111G255 E520G253-G255 PolarHBondContact O-N 3.44Å; G253-E520 VanDerWaalsContact CA-OE2 3.22Å; G253-E520 WeakPolarHBondContact CA-OE2 3.4Å; G253-E520 PolarHBondContact N-OE2 2.76Å; G253-E520 VanDerWaalsContact O-OE1 3.08Å
254D70Confident92.6Very high130 Ų13024 Ų2470%0.69515%0.153SC*.SBendtrans-45.4111.8-176.8-59.1-40.4000111.6C256 H312D254-C256 PolarHBondContact O-N 3.22Å; D254-H312 PolarHBondContact O-CE1 2.89Å
255G73.8Confident92.6Very high50 Ų5022.3 Ų22.352%0.51515%0.147SC..  trans-54.6130.4-174.500000111.3G253 P257 Y467G253-G255 PolarHBondContact O-N 3.44Å; G255-P257 WeakPolarHBondContact O-CD 3.47Å; G255-Y467 PolarHBondContact O-OH 2.89Å; G255-Y467 VanDerWaalsContact O-OH 3.11Å
256C88.4Confident92.7Very high5 Ų519.9 Ų19.93%0.03413%0.132CC..  trans-89.9119.8174.6-175.40000109.8D254 F258 I259 H312D254-C256 PolarHBondContact O-N 3.22Å; C256-F258 PolarHBondContact O-N 3.28Å; C256-F258 PolarHBondContact SG-N 3.41Å; C256-I259 HydrophobicContact CB-CB 4.48Å; C256-I259 HydrophobicContact CB-CD1 4.15Å; C256-I259 HydrophobicContact CB-CG1 4.37Å; C256-H312 HydrophobicContact CB-CB 4.19Å
257P94.3Very high92.7Very high15 Ų1521.9 Ų21.910%0.09714%0.141CC..THydrogen-bonded Turntrans-73.7-5.4178.329.2-31.9000113.1G255 R337 Y467 Q469G255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-R337 WeakPolarHBondContact O-CD 3.3Å; P257-R337 VanDerWaalsContact O-CG 3.24Å; P257-R337 WeakPolarHBondContact O-CG 3.4Å; P257-R337 VanDerWaalsContact O-CZ 3.24Å; P257-R337 PolarHBondContact O-NE 3.07Å; P257-Y467 HydrophobicContact CG-CD2 4.38Å; P257-Y467 HydrophobicContact CG-CE2 4.23Å; P257-Y467 WeakPolarHBondContact CG-O 3.45Å; P257-Q469 HydrophobicContact CB-CG 4.33Å
258F97.8Very high92.7Very high1 Ų123.3 Ų23.30%0.00415%0.15CC..THydrogen-bonded Turntrans-111.711.7-173.7-49.1-62.2000113.9C256 E305 L308 R337 I338 V466 Y467 Q469C256-F258 PolarHBondContact O-N 3.28Å; C256-F258 PolarHBondContact SG-N 3.41Å; F258-E305 WeakPolarHBondContact CB-O 3.42Å; F258-E305 HydrophobicContact CD1-CB 3.66Å; F258-E305 HydrophobicContact CD1-CG 4.04Å; F258-E305 HydrophobicContact CE1-CB 3.82Å; F258-E305 HydrophobicContact CE1-CG 3.69Å; F258-E305 HydrophobicContact CG-CB 4.49Å; F258-E305 WeakPolarHBondContact CG-O 3.43Å; F258-L308 HydrophobicContact CD2-CB 3.37Å; F258-L308 HydrophobicContact CD2-CD1 4.26Å; F258-L308 HydrophobicContact CD2-CG 4.46Å; F258-L308 HydrophobicContact CE2-CB 3.44Å; F258-L308 VanDerWaalsContact CE2-CB 3.44Å; F258-L308 HydrophobicContact CE2-CD1 3.41Å; F258-L308 VanDerWaalsContact CE2-CD1 3.41Å; F258-L308 HydrophobicContact CE2-CG 4.07Å; F258-L308 HydrophobicContact CG-CB 4.26Å; F258-L308 HydrophobicContact CZ-CB 4.38Å; F258-L308 HydrophobicContact CZ-CD1 3.84Å; F258-R337 CarbonylContact O-C 3.56Å; F258-R337 WeakPolarHBondContact O-CA 3.43Å; F258-I338 PolarHBondContact O-N 3.04Å; F258-V466 HydrophobicContact CZ-CG1 4.22Å; F258-V466 WeakPolarHBondContact CZ-O 3.26Å; F258-Y467 AromaticContact CE2-CD2 3.97Å; F258-Y467 HydrophobicContact CE2-CD2 3.97Å; F258-Q469 HydrophobicContact CE1-CG 4.29Å
259I97.7Very high92.6Very high0 Ų027 Ų270%017%0.173CC..BIsolated β-bridgetrans-131.4137.4176.3-58.5169.8000108.7V250 C256 C261 H312 M313 L341V250-I259 HydrophobicContact CG2-CG2 4.26Å; C256-I259 HydrophobicContact CB-CB 4.48Å; C256-I259 HydrophobicContact CB-CD1 4.15Å; C256-I259 HydrophobicContact CB-CG1 4.37Å; I259-C261 PolarHBondContact O-N 2.9Å; I259-C261 VanDerWaalsContact O-N 3.12Å; I259-C261 PolarHBondContact O-SG 2.84Å; I259-H312 HydrophobicContact CD1-CB 4.05Å; I259-H312 VanDerWaalsContact CD1-CD2 3.49Å; I259-H312 WeakPolarHBondContact CD1-CD2 3.5Å; I259-M313 HydrophobicContact CD1-CE 3.66Å; I259-M313 HydrophobicContact CD1-CG 3.71Å; I259-M313 HydrophobicContact CG1-CE 3.78Å; I259-M313 HydrophobicContact CG2-CE 3.96Å; I259-L341 HydrophobicContact CG2-CD1 4.34Å
260V96.8Very high92.7Very high5 Ų528.4 Ų28.43%0.0318%0.179CC..  trans-72.1101.4167.4177.60000107.4L276 D277 M279 L329 R337 I338V260-L276 HydrophobicContact CG1-CB 3.88Å; V260-L276 HydrophobicContact CG1-CD1 4.38Å; V260-D277 HydrophobicContact CG1-CB 4.22Å; V260-M279 HydrophobicContact CG2-CG 3.63Å; V260-M279 HydrophobicContact CG2-SD 4.39Å; V260-L329 HydrophobicContact CG2-CD1 4.26Å; V260-R337 HydrophobicContact CG2-CB 3.78Å; V260-I338 PolarHBondContact N-O 2.88Å
261C96.5Very high92.7Very high4 Ų431.8 Ų31.83%0.02719%0.193CC..  trans-100.1163.7-178.5-7.30000112.2S251 I259 L276 D277 R521S251-C261 WeakPolarHBondContact OG-CB 3.16Å; I259-C261 PolarHBondContact O-N 2.9Å; I259-C261 VanDerWaalsContact O-N 3.12Å; I259-C261 PolarHBondContact O-SG 2.84Å; C261-L276 WeakPolarHBondContact O-CA 3.3Å; C261-D277 PolarHBondContact N-OD2 3.34Å; C261-D277 PolarHBondContact O-N 2.83Å; C261-D277 VanDerWaalsContact O-N 3.13Å; C261-R521 PolarHBondContact O-NH1 3.38Å; C261-R521 VanDerWaalsContact O-NH1 3.11Å
262M97.5Very high92.9Very high0 Ų031.5 Ų31.50%019%0.191CC..EExtended strand (participates in β ladder)trans-94.7136.1-176.9-179.2179.267.400110.8L247 S251 Y264 A265 F274 I275 L276 L516 V518 R521L247-M262 HydrophobicContact CB-CB 3.9Å; L247-M262 HydrophobicContact CB-CE 4.04Å; L247-M262 HydrophobicContact CB-SD 4.09Å; L247-M262 HydrophobicContact CD1-CB 4.28Å; L247-M262 HydrophobicContact CD1-SD 4.22Å; L247-M262 HydrophobicContact CD2-CB 4.28Å; L247-M262 HydrophobicContact CG-CB 4.4Å; S251-M262 WeakPolarHBondContact CB-O 3.48Å; S251-M262 PolarHBondContact OG-N 3.3Å; S251-M262 PolarHBondContact OG-O 3.43Å; M262-Y264 VanDerWaalsContact CG-O 3.29Å; M262-Y264 WeakPolarHBondContact CG-O 3.44Å; M262-A265 HydrophobicContact CE-CB 4.47Å; M262-A265 HydrophobicContact SD-CB 3.73Å; M262-F274 HydrophobicContact SD-CD1 3.78Å; M262-F274 HydrophobicContact SD-CE1 4.44Å; M262-I275 WeakPolarHBondContact CA-O 3.18Å; M262-L276 HydrophobicContact CB-CD2 3.83Å; M262-L276 HydrophobicContact CG-CD2 4.22Å; M262-L516 HydrophobicContact CE-CD2 3.81Å; M262-V518 HydrophobicContact CE-CG2 4.18Å; M262-V518 WeakPolarHBondContact O-CG2 3.44Å; M262-R521 VanDerWaalsContact O-CD 3.26Å; M262-R521 WeakPolarHBondContact O-CD 3.48Å
263T97.4Very high93.4Very high0 Ų028.3 Ų28.30%017%0.171CC..EExtended strand (participates in β ladder)trans-96.5-42.1167.1-54.40000110.6Y221 I275 V518 R521Y221-T263 VanDerWaalsContact CE1-OG1 3.29Å; Y221-T263 WeakPolarHBondContact CE1-OG1 3.45Å; Y221-T263 PolarHBondContact OH-OG1 3.27Å; T263-I275 PolarHBondContact N-O 3.49Å; T263-V518 PolarHBondContact O-N 2.87Å; T263-R521 HydrophobicContact CG2-CB 3.8Å
264Y98.3Very high94.2Very high0 Ų026.7 Ų26.70%016%0.155CC..EExtended strand (participates in β ladder)trans-137.7148.1-178.5-43.7-79000111.9L190 F195 K214 Y221 M262 I275 L516 V517 W522 E525L190-Y264 VanDerWaalsContact CD1-CB 3.47Å; L190-Y264 HydrophobicContact CD1-CD1 3.58Å; L190-Y264 HydrophobicContact CD1-CD2 4.11Å; L190-Y264 HydrophobicContact CD1-CE1 4.32Å; L190-Y264 HydrophobicContact CD1-CG 3.45Å; L190-Y264 VanDerWaalsContact CD1-CG 3.45Å; F195-Y264 HydrophobicContact CZ-CD2 4.4Å; K214-Y264 HydrophobicContact CD-CD2 4.49Å; K214-Y264 HydrophobicContact CD-CE2 3.59Å; K214-Y264 VanDerWaalsContact CE-OH 3.31Å; K214-Y264 WeakPolarHBondContact CE-OH 3.35Å; K214-Y264 PolarHBondContact NZ-OH 3.19Å; Y221-Y264 HydrophobicContact CE2-CE2 4.22Å; M262-Y264 VanDerWaalsContact CG-O 3.29Å; M262-Y264 WeakPolarHBondContact CG-O 3.44Å; Y264-I275 HydrophobicContact CD2-CB 3.69Å; Y264-I275 HydrophobicContact CD2-CG1 3.98Å; Y264-I275 HydrophobicContact CD2-CG2 3.66Å; Y264-I275 HydrophobicContact CE2-CG2 4.3Å; Y264-I275 HydrophobicContact CG-CB 4.31Å; Y264-I275 HydrophobicContact CG-CG1 4.44Å; Y264-I275 PolarHBondContact N-O 2.86Å; Y264-I275 PolarHBondContact O-N 2.83Å; Y264-L516 CarbonylContact C-O 3.43Å; Y264-L516 WeakPolarHBondContact CA-O 3.39Å; Y264-V517 HydrophobicContact CD1-CB 4.42Å; Y264-V517 HydrophobicContact CD1-CG1 3.99Å; Y264-V517 HydrophobicContact CD1-CG2 4.14Å; Y264-V517 HydrophobicContact CE1-CG1 3.97Å; Y264-W522 HydrophobicContact CE1-CB 4.23Å; Y264-W522 AromaticContact CE1-CD1 3.88Å; Y264-W522 HydrophobicContact CE1-CG 4.43Å; Y264-W522 VanDerWaalsContact OH-CD1 3.31Å; Y264-E525 PolarHBondContact OH-OE1 3.13Å; Y264-E525 PolarHBondContact OH-OE2 2.81Å
265A98.4Very high95.6Very high3 Ų320.5 Ų20.53%0.02512%0.122CC..EExtended strand (participates in β ladder)trans-122.4137.6158.200000108.3R244 M262 C273 F514 S515 L516R244-A265 HydrophobicContact CG-CB 4.2Å; M262-A265 HydrophobicContact CE-CB 4.47Å; M262-A265 HydrophobicContact SD-CB 3.73Å; A265-C273 WeakPolarHBondContact CA-O 3.43Å; A265-F514 HydrophobicContact CB-CD1 4.24Å; A265-F514 HydrophobicContact CB-CE1 3.82Å; A265-F514 HydrophobicContact CB-CZ 4.27Å; A265-F514 WeakPolarHBondContact CB-O 3.48Å; A265-S515 CarbonylContact O-C 3.57Å; A265-S515 WeakPolarHBondContact O-CA 3.45Å; A265-L516 HydrophobicContact CB-CB 4.28Å; A265-L516 PolarHBondContact N-O 3.14Å; A265-L516 PolarHBondContact O-N 2.87Å
266F98.2Very high96.7Very high3 Ų318.7 Ų18.71%0.01310%0.101CC..EExtended strand (participates in β ladder)trans-150.6169.817270.6-82.4000110.3L190 T192 F195 M223 T268 C273 I275 F514L190-F266 HydrophobicContact CB-CB 3.97Å; L190-F266 HydrophobicContact CB-CD1 3.96Å; L190-F266 HydrophobicContact CB-CD2 4.31Å; L190-F266 HydrophobicContact CB-CG 3.82Å; L190-F266 HydrophobicContact CD1-CD1 4.21Å; L190-F266 WeakPolarHBondContact O-CD2 3.32Å; T192-F266 HydrophobicContact CG2-CE2 4.31Å; F195-F266 HydrophobicContact CD2-CE1 4.21Å; F195-F266 HydrophobicContact CD2-CZ 4.11Å; F195-F266 HydrophobicContact CE2-CD1 4.4Å; F195-F266 AromaticContact CE2-CE1 3.62Å; F195-F266 HydrophobicContact CE2-CE1 3.62Å; F195-F266 AromaticContact CE2-CZ 3.93Å; F195-F266 HydrophobicContact CE2-CZ 3.93Å; F195-F266 HydrophobicContact CZ-CE1 4.28Å; M223-F266 HydrophobicContact CE-CZ 4.26Å; F266-T268 HydrophobicContact CE2-CG2 4.44Å; F266-C273 HydrophobicContact CD1-CB 3.84Å; F266-C273 HydrophobicContact CD2-CB 4.17Å; F266-C273 HydrophobicContact CE1-CB 3.46Å; F266-C273 VanDerWaalsContact CE1-CB 3.46Å; F266-C273 HydrophobicContact CE2-CB 3.82Å; F266-C273 HydrophobicContact CG-CB 4.18Å; F266-C273 HydrophobicContact CZ-CB 3.45Å; F266-C273 VanDerWaalsContact CZ-CB 3.45Å; F266-C273 PolarHBondContact N-O 2.62Å; F266-C273 PolarHBondContact O-N 3.45Å; F266-I275 HydrophobicContact CD1-CG1 4.41Å; F266-I275 HydrophobicContact CE1-CD1 3.98Å; F266-I275 HydrophobicContact CE1-CG1 3.98Å; F266-F514 VanDerWaalsContact O-CE1 3.26Å; F266-F514 WeakPolarHBondContact O-CE1 3.14Å
267Q97Very high97Very high48 Ų4819.5 Ų19.522%0.22410%0.104CC..EExtended strand (participates in β ladder)trans-135151.8-179.364.7179.5-42.800111.8K271 L272 Y511 F514Q267-K271 WeakPolarHBondContact CA-O 3.48Å; Q267-L272 HydrophobicContact CB-CD2 3.85Å; Q267-Y511 PolarHBondContact NE2-O 3.08Å; Q267-Y511 VanDerWaalsContact OE1-CB 3.27Å; Q267-F514 HydrophobicContact CB-CD1 4.26Å
268T95.6Very high96.9Very high32 Ų3220.4 Ų20.420%0.19611%0.108CC..  trans-108.8176164.775.60000108.7T192 K228 F266 E270 K271T192-T268 HydrophobicContact CG2-CG2 3.87Å; K228-T268 PolarHBondContact NZ-O 3.08Å; F266-T268 HydrophobicContact CE2-CG2 4.44Å; T268-E270 PolarHBondContact O-N 3.05Å; T268-E270 VanDerWaalsContact O-N 3.13Å; T268-E270 PolarHBondContact OG1-N 3.39Å; T268-K271 PolarHBondContact N-O 3.47Å; T268-K271 PolarHBondContact OG1-N 2.92Å
269P95.1Very high96.6Very high99 Ų9921.3 Ų21.364%0.64311%0.113SC*.SBendtrans-53.8-30.8173.7-29.137.6000113.8Q508P269-Q508 PolarHBondContact O-NE2 3.48Å
270E94.9Very high96Very high93 Ų9322.5 Ų22.544%0.43512%0.119SC..SBendtrans-114.4-17.6-174-59.7-164136.100114.6K228 K229 T268K228-E270 VanDerWaalsContact CB-O 3.29Å; K228-E270 WeakPolarHBondContact CB-O 3.27Å; K228-E270 WeakPolarHBondContact CG-O 3.37Å; K228-E270 PolarHBondContact N-O 2.97Å; K229-E270 IonicContact NZ-OE1 3.43Å; K229-E270 PolarHBondContact NZ-OE1 3.15Å; T268-E270 PolarHBondContact O-N 3.05Å; T268-E270 VanDerWaalsContact O-N 3.13Å; T268-E270 PolarHBondContact OG1-N 3.39Å
271K96.7Very high95.7Very high72 Ų7222.2 Ų22.231%0.31312%0.118SC..EExtended strand (participates in β ladder)trans-128.2148.7-173.3-57-168.5179.5-170.50113.1C225 L226 Q267 T268C225-K271 HydrophobicContact CB-CD 4.3Å; L226-K271 CarbonylContact O-C 3.53Å; L226-K271 VanDerWaalsContact O-CA 3.24Å; L226-K271 WeakPolarHBondContact O-CA 3.38Å; Q267-K271 WeakPolarHBondContact CA-O 3.48Å; T268-K271 PolarHBondContact N-O 3.47Å; T268-K271 PolarHBondContact OG1-N 2.92Å
272L98.1Very high95.4Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-102.6130.2162.2-59.3179.5000108.1C225 L226 K228 I231 A240 Q267 Y511 F514C225-L272 CarbonylContact C-O 3.54Å; C225-L272 WeakPolarHBondContact CA-O 3.15Å; L226-L272 HydrophobicContact CB-CB 4.33Å; L226-L272 PolarHBondContact N-O 3.46Å; L226-L272 PolarHBondContact O-N 2.98Å; K228-L272 HydrophobicContact CG-CG 4.18Å; I231-L272 HydrophobicContact CD1-CD1 3.77Å; I231-L272 HydrophobicContact CD1-CG 4.42Å; A240-L272 HydrophobicContact CB-CD1 3.94Å; Q267-L272 HydrophobicContact CB-CD2 3.85Å; L272-Y511 HydrophobicContact CD1-CD1 3.77Å; L272-Y511 HydrophobicContact CD1-CE1 3.63Å; L272-Y511 HydrophobicContact CD1-CG 4.46Å; L272-Y511 HydrophobicContact CD2-CD1 3.93Å; L272-Y511 HydrophobicContact CD2-CD2 4.39Å; L272-Y511 HydrophobicContact CD2-CG 3.87Å; L272-Y511 HydrophobicContact CG-CD1 4.44Å; L272-F514 HydrophobicContact CB-CE1 3.93Å; L272-F514 HydrophobicContact CB-CE2 4.1Å; L272-F514 HydrophobicContact CB-CZ 3.69Å; L272-F514 HydrophobicContact CD1-CD2 4.16Å; L272-F514 HydrophobicContact CD1-CE2 3.92Å; L272-F514 HydrophobicContact CD1-CZ 4.37Å; L272-F514 HydrophobicContact CD2-CB 4.47Å; L272-F514 HydrophobicContact CD2-CD1 3.91Å; L272-F514 HydrophobicContact CD2-CD2 4.03Å; L272-F514 HydrophobicContact CD2-CE1 4.14Å; L272-F514 HydrophobicContact CD2-CE2 4.25Å; L272-F514 HydrophobicContact CD2-CG 3.85Å; L272-F514 HydrophobicContact CD2-CZ 4.31Å; L272-F514 HydrophobicContact CG-CE2 4.32Å; L272-F514 HydrophobicContact CG-CZ 4.34Å
273C98.3Very high95.1Very high1 Ų124.6 Ų24.61%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-123.7124.7-173.5-60.40000110.6K224 C225 A265 F266K224-C273 WeakPolarHBondContact O-CA 3.34Å; C225-C273 VanDerWaalsContact SG-SG 3.65Å; A265-C273 WeakPolarHBondContact CA-O 3.43Å; F266-C273 HydrophobicContact CD1-CB 3.84Å; F266-C273 HydrophobicContact CD2-CB 4.17Å; F266-C273 HydrophobicContact CE1-CB 3.46Å; F266-C273 VanDerWaalsContact CE1-CB 3.46Å; F266-C273 HydrophobicContact CE2-CB 3.82Å; F266-C273 HydrophobicContact CG-CB 4.18Å; F266-C273 HydrophobicContact CZ-CB 3.45Å; F266-C273 VanDerWaalsContact CZ-CB 3.45Å; F266-C273 PolarHBondContact N-O 2.62Å; F266-C273 PolarHBondContact O-N 3.45Å
274F98.1Very high94.9Very high0 Ų024.6 Ų24.60%013%0.132CC..EExtended strand (participates in β ladder)trans-105.2135.3169-55.9-92.5000109.5M223 K224 L226 E243 R244 L247 M262 L276 F514M223-F274 CarbonylContact C-O 3.59Å; M223-F274 VanDerWaalsContact CA-O 3.31Å; M223-F274 WeakPolarHBondContact CA-O 3.39Å; K224-F274 HydrophobicContact CB-CB 4.25Å; K224-F274 HydrophobicContact CB-CD2 4.39Å; K224-F274 HydrophobicContact CG-CD2 4.39Å; K224-F274 PolarHBondContact N-O 3.1Å; K224-F274 PolarHBondContact O-N 3.38Å; L226-F274 HydrophobicContact CD1-CE2 3.76Å; L226-F274 HydrophobicContact CG-CE2 4.12Å; E243-F274 HydrophobicContact CB-CZ 4.27Å; E243-F274 HydrophobicContact CG-CZ 4.4Å; R244-F274 HydrophobicContact CB-CE1 3.77Å; R244-F274 HydrophobicContact CB-CZ 4.26Å; R244-F274 HydrophobicContact CG-CE1 4.22Å; L247-F274 HydrophobicContact CD1-CD1 3.64Å; L247-F274 HydrophobicContact CD1-CE1 3.94Å; L247-F274 HydrophobicContact CD1-CG 4.36Å; M262-F274 HydrophobicContact SD-CD1 3.78Å; M262-F274 HydrophobicContact SD-CE1 4.44Å; F274-L276 HydrophobicContact CB-CD1 4.37Å; F274-L276 HydrophobicContact CB-CD2 3.94Å; F274-L276 HydrophobicContact CB-CG 4Å; F274-F514 HydrophobicContact CD1-CZ 4.19Å; F274-F514 HydrophobicContact CD2-CZ 4.35Å; F274-F514 AromaticContact CE1-CE2 3.95Å; F274-F514 HydrophobicContact CE1-CE2 3.95Å; F274-F514 AromaticContact CE1-CZ 3.63Å; F274-F514 HydrophobicContact CE1-CZ 3.63Å; F274-F514 HydrophobicContact CE2-CE2 4.28Å; F274-F514 AromaticContact CE2-CZ 3.8Å; F274-F514 HydrophobicContact CE2-CZ 3.8Å; F274-F514 AromaticContact CZ-CE2 3.6Å; F274-F514 HydrophobicContact CZ-CE2 3.6Å; F274-F514 AromaticContact CZ-CZ 3.43Å; F274-F514 HydrophobicContact CZ-CZ 3.43Å; F274-F514 VanDerWaalsContact CZ-CZ 3.43Å
275I98.3Very high94.6Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-106.6111.7171.6-55.7-60.9000108F195 Y221 A222 M223 M262 T263 Y264 F266F195-I275 HydrophobicContact CD1-CD1 4.02Å; F195-I275 HydrophobicContact CD2-CD1 4.5Å; F195-I275 HydrophobicContact CE1-CD1 3.61Å; F195-I275 HydrophobicContact CE1-CG1 3.84Å; F195-I275 HydrophobicContact CE1-CG2 4.2Å; F195-I275 HydrophobicContact CE2-CD1 4.14Å; F195-I275 HydrophobicContact CE2-CG1 4.31Å; F195-I275 HydrophobicContact CG-CD1 4.46Å; F195-I275 HydrophobicContact CZ-CD1 3.69Å; F195-I275 HydrophobicContact CZ-CG1 3.62Å; Y221-I275 HydrophobicContact CD1-CG2 3.65Å; Y221-I275 HydrophobicContact CD2-CG2 3.7Å; Y221-I275 HydrophobicContact CE1-CG2 4.24Å; Y221-I275 HydrophobicContact CE2-CG2 4.29Å; Y221-I275 HydrophobicContact CG-CG2 3.34Å; A222-I275 WeakPolarHBondContact O-CA 3.32Å; M223-I275 HydrophobicContact CB-CD1 3.94Å; M223-I275 HydrophobicContact CE-CD1 3.75Å; M223-I275 HydrophobicContact CG-CD1 3.83Å; M262-I275 WeakPolarHBondContact CA-O 3.18Å; T263-I275 PolarHBondContact N-O 3.49Å; Y264-I275 HydrophobicContact CD2-CB 3.69Å; Y264-I275 HydrophobicContact CD2-CG1 3.98Å; Y264-I275 HydrophobicContact CD2-CG2 3.66Å; Y264-I275 HydrophobicContact CE2-CG2 4.3Å; Y264-I275 HydrophobicContact CG-CB 4.31Å; Y264-I275 HydrophobicContact CG-CG1 4.44Å; Y264-I275 PolarHBondContact N-O 2.86Å; Y264-I275 PolarHBondContact O-N 2.83Å; F266-I275 HydrophobicContact CD1-CG1 4.41Å; F266-I275 HydrophobicContact CE1-CD1 3.98Å; F266-I275 HydrophobicContact CE1-CG1 3.98Å
276L97Very high94.2Very high12 Ų1229.6 Ų29.66%0.06315%0.152CC..EExtended strand (participates in β ladder)trans-121.3160.1-167.4-55.4179000110.8Y221 A222 K224 L247 V260 C261 M262 F274 L278Y221-L276 VanDerWaalsContact CD1-O 3.31Å; Y221-L276 WeakPolarHBondContact CD1-O 3.47Å; A222-L276 HydrophobicContact CB-CB 4.36Å; A222-L276 PolarHBondContact N-O 2.98Å; A222-L276 PolarHBondContact O-N 2.69Å; K224-L276 HydrophobicContact CB-CD1 4.12Å; K224-L276 HydrophobicContact CD-CD1 4.39Å; L247-L276 HydrophobicContact CD1-CD2 3.9Å; L247-L276 HydrophobicContact CD2-CD2 4.18Å; V260-L276 HydrophobicContact CG1-CB 3.88Å; V260-L276 HydrophobicContact CG1-CD1 4.38Å; C261-L276 WeakPolarHBondContact O-CA 3.3Å; M262-L276 HydrophobicContact CB-CD2 3.83Å; M262-L276 HydrophobicContact CG-CD2 4.22Å; F274-L276 HydrophobicContact CB-CD1 4.37Å; F274-L276 HydrophobicContact CB-CD2 3.94Å; F274-L276 HydrophobicContact CB-CG 4Å; L276-L278 PolarHBondContact O-N 3Å
277D94.6Very high93.8Very high21 Ų2129.5 Ų29.511%0.11215%0.152CC..  trans-49.2133.1168.7-66.6-45.7000111.3V260 C261 M279 R337 R521V260-D277 HydrophobicContact CG1-CB 4.22Å; C261-D277 PolarHBondContact N-OD2 3.34Å; C261-D277 PolarHBondContact O-N 2.83Å; C261-D277 VanDerWaalsContact O-N 3.13Å; D277-M279 PolarHBondContact O-N 3.33Å; D277-R337 IonicContact OD2-NH1 3.38Å; D277-R337 PolarHBondContact OD2-NH1 2.84Å; D277-R521 VanDerWaalsContact CG-NH1 3.3Å; D277-R521 IonicContact OD1-CZ 3.07Å; D277-R521 VanDerWaalsContact OD1-CZ 3.28Å; D277-R521 IonicContact OD1-NH1 3.7Å; D277-R521 PolarHBondContact OD1-NH1 3.33Å; D277-R521 VanDerWaalsContact OD1-NH1 3.13Å; D277-R521 IonicContact OD1-NH2 2.86Å; D277-R521 PolarHBondContact OD1-NH2 3.01Å; D277-R521 IonicContact OD2-CZ 3.08Å; D277-R521 IonicContact OD2-NH1 3.56Å; D277-R521 PolarHBondContact OD2-NH1 3.09Å; D277-R521 IonicContact OD2-NH2 2.69Å; D277-R521 PolarHBondContact OD2-NH2 3.46Å
278L92.8Very high93.5Very high35 Ų3527.8 Ų27.818%0.18314%0.144CC..  trans-81.5114.8177.5-178.762000109.6I201 M220 A222 L276I201-L278 HydrophobicContact CD1-CD1 3.74Å; M220-L278 HydrophobicContact CB-CD2 3.98Å; M220-L278 HydrophobicContact CE-CD2 4.35Å; A222-L278 HydrophobicContact CB-CD1 4.13Å; L276-L278 PolarHBondContact O-N 3Å
279M91.4Very high93.1Very high19 Ų1930.2 Ų30.29%0.09416%0.159CC..  trans-109.4103.7173.2-55.6-57.9-68.600108.6V260 D277 L329 L330 D331 R337V260-M279 HydrophobicContact CG2-CG 3.63Å; V260-M279 HydrophobicContact CG2-SD 4.39Å; D277-M279 PolarHBondContact O-N 3.33Å; M279-L329 HydrophobicContact CB-CB 3.56Å; M279-L329 HydrophobicContact CB-CD1 3.81Å; M279-L329 HydrophobicContact CB-CG 4.33Å; M279-L329 HydrophobicContact CE-CB 4.32Å; M279-L329 WeakPolarHBondContact CE-O 3.3Å; M279-L329 HydrophobicContact CG-CB 3.83Å; M279-L329 HydrophobicContact CG-CD1 4.01Å; M279-L330 CarbonylContact C-O 3.54Å; M279-L330 VanDerWaalsContact CE-C 3.47Å; M279-D331 HydrophobicContact CE-CB 3.91Å; M279-D331 HydrophobicContact SD-CB 4.44Å; M279-R337 HydrophobicContact CE-CB 3.78Å; M279-R337 HydrophobicContact CE-CG 3.53Å; M279-R337 HydrophobicContact SD-CB 4.27Å; M279-R337 VanDerWaalsContact SD-CD 3.58Å; M279-R337 HydrophobicContact SD-CG 3.98Å
280N86.1Confident92.6Very high25 Ų2531.1 Ų31.113%0.13416%0.155CC..  trans-106.59.8-169.564.3-43000113.5M17 L330 E332 N483M17-N280 HydrophobicContact CE-CB 3.68Å; M17-N280 WeakPolarHBondContact CE-ND2 3.49Å; N280-L330 PolarHBondContact N-O 3.46Å; N280-E332 WeakPolarHBondContact ND2-CB 3.49Å; N280-E332 PolarHBondContact OD1-N 3.21Å; N280-E332 VanDerWaalsContact OD1-N 3.07Å; N280-N483 WeakPolarHBondContact O-CB 3.39Å; N280-N483 PolarHBondContact O-ND2 2.86Å
281G89.3Confident91.8Very high0 Ų031.6 Ų31.60%016%0.157CC..SBendtrans-96.74.8179.600000114H287 L330G281-H287 PolarHBondContact O-NE2 3.4Å; G281-L330 VanDerWaalsContact CA-O 3.22Å; G281-L330 WeakPolarHBondContact CA-O 3.32Å; G281-L330 PolarHBondContact N-O 3.22Å
282G89.4Confident91.3Very high11 Ų1133.6 Ų33.611%0.11317%0.171CC..  trans79-163.8-17400000112.7L329 L330 N483G282-L329 CarbonylContact O-C 3.56Å; G282-L329 WeakPolarHBondContact O-CA 3.33Å; G282-L330 PolarHBondContact O-N 3.49Å; G282-N483 WeakPolarHBondContact CA-O 3.26Å; G282-N483 PolarHBondContact N-O 3.47Å
283D91.6Very high91.1Very high42 Ų4237.6 Ų37.623%0.22519%0.192CC..BIsolated β-bridgetrans-120.4160.5179.86768.3000112.3H285 Y286 H287 I328 L329D283-H285 PolarHBondContact O-N 2.95Å; D283-H285 VanDerWaalsContact OD1-CA 3.26Å; D283-H285 WeakPolarHBondContact OD1-CA 3.41Å; D283-H285 WeakPolarHBondContact OD1-CB 3.01Å; D283-H285 PolarHBondContact OD1-N 2.87Å; D283-Y286 PolarHBondContact O-N 3.39Å; D283-Y286 PolarHBondContact OD1-N 3.31Å; D283-H287 PolarHBondContact O-CD2 3.25Å; D283-H287 PolarHBondContact O-N 2.74Å; D283-H287 VanDerWaalsContact O-N 3.08Å; D283-I328 CarbonylContact C-O 3.57Å; D283-I328 VanDerWaalsContact CA-O 3.29Å; D283-I328 WeakPolarHBondContact CA-O 3.07Å; D283-L329 HydrophobicContact CB-CD2 3.61Å
284L94.1Very high90.9Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-65.1-21.4-179.7-79.1-177.5000113.2L288 F294 Y302 P325 I328 L330 V336 L389L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 3.26Å; L284-F294 HydrophobicContact CD2-CZ 4.29Å; L284-Y302 HydrophobicContact CD1-CD1 4.39Å; L284-Y302 HydrophobicContact CD1-CG 4.18Å; L284-Y302 HydrophobicContact CD2-CD1 4.17Å; L284-Y302 HydrophobicContact CD2-CD2 4.14Å; L284-Y302 HydrophobicContact CD2-CE1 3.93Å; L284-Y302 HydrophobicContact CD2-CE2 3.88Å; L284-Y302 HydrophobicContact CD2-CG 4.26Å; L284-P325 HydrophobicContact CB-CB 3.93Å; L284-P325 WeakPolarHBondContact CB-O 3.26Å; L284-P325 PolarHBondContact N-O 3.48Å; L284-I328 HydrophobicContact CB-CB 4.3Å; L284-I328 HydrophobicContact CD1-CB 3.78Å; L284-I328 HydrophobicContact CD1-CG1 4.35Å; L284-I328 HydrophobicContact CD1-CG2 3.47Å; L284-I328 VanDerWaalsContact CD1-CG2 3.47Å; L284-I328 HydrophobicContact CG-CB 4.06Å; L284-I328 HydrophobicContact CG-CG2 3.87Å; L284-I328 PolarHBondContact N-O 2.99Å; L284-L330 HydrophobicContact CD2-CD1 3.93Å; L284-L330 HydrophobicContact CG-CD1 4Å; L284-V336 HydrophobicContact CG-CG1 4.46Å; L284-L389 HydrophobicContact CB-CD2 4.43Å; L284-L389 HydrophobicContact CD1-CD1 4.26Å; L284-L389 HydrophobicContact CD1-CD2 4.41Å
285H92.1Very high90.8Very high29 Ų2940.9 Ų40.913%0.13421%0.213CC..Hα-helixtrans-70.8-45.1174.6174.947.5000111.1D283 H287 L288 T289 P325 A326 D822D283-H285 PolarHBondContact O-N 2.95Å; D283-H285 VanDerWaalsContact OD1-CA 3.26Å; D283-H285 WeakPolarHBondContact OD1-CA 3.41Å; D283-H285 WeakPolarHBondContact OD1-CB 3.01Å; D283-H285 PolarHBondContact OD1-N 2.87Å; H285-H287 VanDerWaalsContact C-N 3.35Å; H285-L288 PolarHBondContact O-N 2.83Å; H285-T289 WeakPolarHBondContact O-CG2 3.45Å; H285-T289 PolarHBondContact O-N 3.39Å; H285-T289 VanDerWaalsContact O-N 3.12Å; H285-P325 HydrophobicContact CB-CB 4.06Å; H285-P325 PolarHBondContact N-O 3.43Å; H285-A326 HydrophobicContact CB-CB 3.91Å; H285-D822 IonicContact CE1-OD1 3.49Å; H285-D822 IonicContact NE2-OD1 2.87Å
286Y88.7Confident90.7Very high79 Ų7942.9 Ų42.931%0.3122%0.223SC..Hα-helixtrans-57.7-47172172.5-95.5000111.2D283 L288 T289 Q290D283-Y286 PolarHBondContact O-N 3.39Å; D283-Y286 PolarHBondContact OD1-N 3.31Å; Y286-L288 VanDerWaalsContact C-N 3.33Å; Y286-L288 PolarHBondContact O-N 3.19Å; Y286-T289 PolarHBondContact O-N 2.8Å; Y286-T289 VanDerWaalsContact O-N 3.13Å; Y286-T289 PolarHBondContact O-OG1 2.78Å; Y286-Q290 HydrophobicContact CD1-CG 4.29Å; Y286-Q290 HydrophobicContact CD2-CG 4.29Å; Y286-Q290 HydrophobicContact CE1-CG 3.83Å; Y286-Q290 HydrophobicContact CE2-CG 3.83Å; Y286-Q290 WeakPolarHBondContact O-CG 3.35Å; Y286-Q290 PolarHBondContact O-N 3.12Å
287H90.3Very high90.7Very high1 Ų146 Ų461%0.00525%0.245CC..Hα-helixtrans-67.9-33.8-179.9-70.7-57.4000113.3G281 D283 H285 T289 Q290 H291 F294 L475G281-H287 PolarHBondContact O-NE2 3.4Å; D283-H287 PolarHBondContact O-CD2 3.25Å; D283-H287 PolarHBondContact O-N 2.74Å; D283-H287 VanDerWaalsContact O-N 3.08Å; H285-H287 VanDerWaalsContact C-N 3.35Å; H287-T289 VanDerWaalsContact C-N 3.28Å; H287-T289 PolarHBondContact O-N 2.96Å; H287-Q290 PolarHBondContact O-N 3.46Å; H287-H291 AromaticContact ND1-CD2 3.75Å; H287-H291 AromaticContact ND1-NE2 3.9Å; H287-H291 VanDerWaalsContact O-CB 3.32Å; H287-H291 WeakPolarHBondContact O-CB 3.47Å; H287-H291 PolarHBondContact O-N 3Å; H287-F294 HydrophobicContact CB-CZ 4.17Å; H287-L475 HydrophobicContact CB-CD2 3.62Å; H287-L475 VanDerWaalsContact ND1-CD2 3.31Å; H287-L475 WeakPolarHBondContact ND1-CD2 3.11Å
288L91.3Very high90.8Very high12 Ų1247.8 Ų47.86%0.06325%0.253CS..Hα-helixtrans-63.7-33.7172.7-177.265.8000112.3L284 H285 Y286 N292 F294 K388L284-L288 WeakPolarHBondContact O-CB 3.47Å; L284-L288 PolarHBondContact O-N 3.26Å; H285-L288 PolarHBondContact O-N 2.83Å; Y286-L288 VanDerWaalsContact C-N 3.33Å; Y286-L288 PolarHBondContact O-N 3.19Å; L288-N292 WeakPolarHBondContact O-CA 3.33Å; L288-N292 PolarHBondContact O-N 2.79Å; L288-F294 HydrophobicContact CB-CE2 4.1Å; L288-F294 HydrophobicContact CD1-CD2 3.92Å; L288-F294 HydrophobicContact CD1-CE2 3.98Å; L288-K388 HydrophobicContact CD2-CD 4.48Å; L288-K388 HydrophobicContact CD2-CG 3.92Å
289T87.7Confident91Very high83 Ų8346.1 Ų46.151%0.50924%0.244SC..Hα-helixtrans-77.9-34.4177.759.30000112.3H285 Y286 H287H285-T289 WeakPolarHBondContact O-CG2 3.45Å; H285-T289 PolarHBondContact O-N 3.39Å; H285-T289 VanDerWaalsContact O-N 3.12Å; Y286-T289 PolarHBondContact O-N 2.8Å; Y286-T289 VanDerWaalsContact O-N 3.13Å; Y286-T289 PolarHBondContact O-OG1 2.78Å; H287-T289 VanDerWaalsContact C-N 3.28Å; H287-T289 PolarHBondContact O-N 2.96Å
290Q84.5Confident91.3Very high119 Ų11948.7 Ų48.756%0.55625%0.253SS*.Hα-helixtrans-80.8-45178.8-63.6-55.5-45.600113.6Y286 H287Y286-Q290 HydrophobicContact CD1-CG 4.29Å; Y286-Q290 HydrophobicContact CD2-CG 4.29Å; Y286-Q290 HydrophobicContact CE1-CG 3.83Å; Y286-Q290 HydrophobicContact CE2-CG 3.83Å; Y286-Q290 WeakPolarHBondContact O-CG 3.35Å; Y286-Q290 PolarHBondContact O-N 3.12Å; H287-Q290 PolarHBondContact O-N 3.46Å
291H77.8Confident91.9Very high103 Ų10348.5 Ų48.548%0.47725%0.251SS..Hα-helixtrans-95.6-0.5-172.3-67.2-80.6000114.2H287 L475H287-H291 AromaticContact ND1-CD2 3.75Å; H287-H291 AromaticContact ND1-NE2 3.9Å; H287-H291 VanDerWaalsContact O-CB 3.32Å; H287-H291 WeakPolarHBondContact O-CB 3.47Å; H287-H291 PolarHBondContact O-N 3Å; H291-L475 VanDerWaalsContact CE1-CD1 3.49Å; H291-L475 WeakPolarHBondContact CE1-CD1 3.47Å; H291-L475 WeakPolarHBondContact NE2-CD1 3.46Å
292N85.9Confident92.4Very high114 Ų11448.5 Ų48.561%0.6125%0.251SS*.  trans65.1-170.5-170.2-153-14.7000111.8L288L288-N292 WeakPolarHBondContact O-CA 3.33Å; L288-N292 PolarHBondContact O-N 2.79Å
293I93.2Very high92.8Very high84 Ų8448 Ų4843%0.43125%0.246SC..SBendtrans-58.3146.8-179.460.1172.8000112.8L390I293-L390 WeakPolarHBondContact CD1-O 2.96Å
294F95Very high93.1Very high10 Ų1046.1 Ų46.14%0.04424%0.236CC..PPolyproline II helixtrans-87.4145.4176.6-65.6-84.9000111.1L284 H287 L288 E298 V299 Y302 L389L284-F294 HydrophobicContact CD2-CZ 4.29Å; H287-F294 HydrophobicContact CB-CZ 4.17Å; L288-F294 HydrophobicContact CB-CE2 4.1Å; L288-F294 HydrophobicContact CD1-CD2 3.92Å; L288-F294 HydrophobicContact CD1-CE2 3.98Å; F294-E298 HydrophobicContact CB-CB 4.16Å; F294-E298 HydrophobicContact CD1-CB 4.07Å; F294-V299 HydrophobicContact CB-CG2 3.68Å; F294-Y302 AromaticContact CD1-CE2 3.97Å; F294-Y302 HydrophobicContact CD1-CE2 3.97Å; F294-Y302 AromaticContact CE1-CE2 3.77Å; F294-Y302 HydrophobicContact CE1-CE2 3.77Å; F294-Y302 HydrophobicContact CZ-CE2 4.28Å; F294-L389 HydrophobicContact CD2-CB 4.03Å; F294-L389 HydrophobicContact CD2-CD2 3.8Å; F294-L389 HydrophobicContact CD2-CG 4.44Å; F294-L389 HydrophobicContact CE2-CD2 3.82Å; F294-L389 PolarHBondContact N-O 2.92Å
295S95.6Very high93.4Very high59 Ų5946.2 Ų46.241%0.41324%0.236SC..PPolyproline II helixtrans-70.3160.5169.269.90000111.6S297 E298 V299S295-S297 PolarHBondContact O-N 2.91Å; S295-E298 VanDerWaalsContact CB-OE2 3.28Å; S295-E298 WeakPolarHBondContact CB-OE2 3.34Å; S295-E298 PolarHBondContact N-OE2 3.41Å; S295-E298 PolarHBondContact O-N 3.31Å; S295-E298 VanDerWaalsContact O-N 3.07Å; S295-E298 VanDerWaalsContact OG-CD 3.3Å; S295-E298 VanDerWaalsContact OG-CG 3.25Å; S295-E298 WeakPolarHBondContact OG-CG 3.26Å; S295-E298 PolarHBondContact OG-OE2 3.19Å; S295-V299 WeakPolarHBondContact O-CG2 3.42Å; S295-V299 PolarHBondContact O-N 3.45Å
296E96.8Very high93.7Very high43 Ų4344.9 Ų44.920%0.20123%0.23CC..Hα-helixtrans-57.6-33.7178-66-171.3-172.100113R300 L390 S423 M426 F457E296-R300 WeakPolarHBondContact O-CB 3.04Å; E296-R300 PolarHBondContact O-N 2.69Å; E296-L390 HydrophobicContact CG-CD2 3.96Å; E296-S423 VanDerWaalsContact CD-OG 3.31Å; E296-S423 PolarHBondContact OE1-N 2.98Å; E296-S423 PolarHBondContact OE1-OG 2.98Å; E296-S423 WeakPolarHBondContact OE2-CB 3.43Å; E296-S423 PolarHBondContact OE2-OG 2.86Å; E296-M426 HydrophobicContact CB-CE 4.11Å; E296-M426 HydrophobicContact CG-CB 4.34Å; E296-M426 HydrophobicContact CG-CE 3.96Å; E296-M426 HydrophobicContact CG-CG 4.32Å; E296-M426 WeakPolarHBondContact OE1-CB 3.3Å; E296-F457 HydrophobicContact CB-CE2 4.19Å; E296-F457 HydrophobicContact CB-CZ 4.35Å; E296-F457 WeakPolarHBondContact O-CZ 3.41Å
297S96.4Very high94.2Very high77 Ų7741.1 Ų41.154%0.53822%0.216SC..Hα-helixtrans-66.8-38177.7-168.70000112.3S295 R300 F301S295-S297 PolarHBondContact O-N 2.91Å; S297-R300 WeakPolarHBondContact O-CB 3.27Å; S297-R300 PolarHBondContact O-N 3.24Å; S297-F301 PolarHBondContact O-N 3.23Å
298E96.8Very high94.5Very high59 Ų5941.9 Ų41.928%0.27622%0.22SC..Hα-helixtrans-74.1-41.4178.8-59.8167.1119.400110.4F294 S295 R300 F301 Y302 P474F294-E298 HydrophobicContact CB-CB 4.16Å; F294-E298 HydrophobicContact CD1-CB 4.07Å; S295-E298 VanDerWaalsContact CB-OE2 3.28Å; S295-E298 WeakPolarHBondContact CB-OE2 3.34Å; S295-E298 PolarHBondContact N-OE2 3.41Å; S295-E298 PolarHBondContact O-N 3.31Å; S295-E298 VanDerWaalsContact O-N 3.07Å; S295-E298 VanDerWaalsContact OG-CD 3.3Å; S295-E298 VanDerWaalsContact OG-CG 3.25Å; S295-E298 WeakPolarHBondContact OG-CG 3.26Å; S295-E298 PolarHBondContact OG-OE2 3.19Å; E298-R300 VanDerWaalsContact C-N 3.26Å; E298-R300 PolarHBondContact O-N 3.05Å; E298-F301 WeakPolarHBondContact O-CB 3.33Å; E298-F301 PolarHBondContact O-N 2.82Å; E298-F301 VanDerWaalsContact O-N 3.14Å; E298-Y302 VanDerWaalsContact O-CD2 3.31Å; E298-Y302 WeakPolarHBondContact O-CD2 3.31Å; E298-Y302 PolarHBondContact O-N 3.47Å; E298-P474 HydrophobicContact CB-CB 3.84Å; E298-P474 HydrophobicContact CB-CG 4.01Å; E298-P474 HydrophobicContact CG-CB 3.53Å; E298-P474 HydrophobicContact CG-CG 4.27Å
299V97.4Very high94.9Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-60.6-36.7173174.50000111.3F294 S295 F301 Y302 A303 L386 L389 L390 M426F294-V299 HydrophobicContact CB-CG2 3.68Å; S295-V299 WeakPolarHBondContact O-CG2 3.42Å; S295-V299 PolarHBondContact O-N 3.45Å; V299-F301 VanDerWaalsContact C-N 3.31Å; V299-F301 PolarHBondContact O-N 2.9Å; V299-Y302 PolarHBondContact O-N 3.43Å; V299-A303 WeakPolarHBondContact O-CB 3.35Å; V299-A303 PolarHBondContact O-N 3.21Å; V299-L386 HydrophobicContact CG1-CB 4.16Å; V299-L386 HydrophobicContact CG1-CD2 3.83Å; V299-L386 HydrophobicContact CG1-CG 4.4Å; V299-L389 HydrophobicContact CG2-CB 3.79Å; V299-L390 HydrophobicContact CB-CD2 4.24Å; V299-L390 HydrophobicContact CG2-CD2 3.7Å; V299-L390 HydrophobicContact CG2-CG 4Å; V299-M426 HydrophobicContact CB-CE 4.46Å; V299-M426 HydrophobicContact CG1-CE 4.07Å
300R98.3Very high95.4Very high73 Ų7337.4 Ų37.428%0.27519%0.192SC..Hα-helixtrans-58.3-42.3174.9-171.4-174.5-66.1123.83.6112.2E296 S297 E298 A304 F457 F458 I461E296-R300 WeakPolarHBondContact O-CB 3.04Å; E296-R300 PolarHBondContact O-N 2.69Å; S297-R300 WeakPolarHBondContact O-CB 3.27Å; S297-R300 PolarHBondContact O-N 3.24Å; E298-R300 VanDerWaalsContact C-N 3.26Å; E298-R300 PolarHBondContact O-N 3.05Å; R300-A304 WeakPolarHBondContact O-CB 3.48Å; R300-A304 PolarHBondContact O-N 2.63Å; R300-F457 HydrophobicContact CB-CE1 3.6Å; R300-F457 HydrophobicContact CB-CZ 3.76Å; R300-F457 HydrophobicContact CG-CD1 4.33Å; R300-F457 HydrophobicContact CG-CE1 3.76Å; R300-F457 HydrophobicContact CG-CZ 4.25Å; R300-F457 PolarHBondContact NE-O 3.38Å; R300-F458 HydrophobicContact CG-CD1 3.88Å; R300-F458 HydrophobicContact CG-CE1 4.1Å; R300-I461 HydrophobicContact CG-CD1 4.29Å
301F98.2Very high96Very high21 Ų2133.4 Ų33.49%0.09217%0.174CC..Hα-helixtrans-61.5-56.4177.6173.4-88.9000111S297 E298 V299 A303 A304 E305 H335 P473 P474S297-F301 PolarHBondContact O-N 3.23Å; E298-F301 WeakPolarHBondContact O-CB 3.33Å; E298-F301 PolarHBondContact O-N 2.82Å; E298-F301 VanDerWaalsContact O-N 3.14Å; V299-F301 VanDerWaalsContact C-N 3.31Å; V299-F301 PolarHBondContact O-N 2.9Å; F301-A303 VanDerWaalsContact C-N 3.32Å; F301-A303 PolarHBondContact O-N 3.16Å; F301-A304 PolarHBondContact O-N 3.37Å; F301-A304 VanDerWaalsContact O-N 3.16Å; F301-E305 HydrophobicContact CZ-CG 4.41Å; F301-E305 WeakPolarHBondContact CZ-OE1 3.45Å; F301-E305 PolarHBondContact O-N 2.93Å; F301-H335 AromaticContact CZ-ND1 3.68Å; F301-P473 HydrophobicContact CE1-CB 4.01Å; F301-P473 HydrophobicContact CE1-CG 4.39Å; F301-P473 HydrophobicContact CE2-CB 4.41Å; F301-P473 HydrophobicContact CE2-CG 4.25Å; F301-P473 HydrophobicContact CZ-CB 3.78Å; F301-P473 HydrophobicContact CZ-CG 3.71Å; F301-P474 HydrophobicContact CB-CG 4.36Å; F301-P474 HydrophobicContact CD1-CG 4.02Å; F301-P474 HydrophobicContact CG-CG 4.33Å
302Y98.4Very high96.9Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-63.8-38-178.2-63.1-54.6000112.5L284 F294 E298 V299 A304 E305 V306 V336 P474 L475L284-Y302 HydrophobicContact CD1-CD1 4.39Å; L284-Y302 HydrophobicContact CD1-CG 4.18Å; L284-Y302 HydrophobicContact CD2-CD1 4.17Å; L284-Y302 HydrophobicContact CD2-CD2 4.14Å; L284-Y302 HydrophobicContact CD2-CE1 3.93Å; L284-Y302 HydrophobicContact CD2-CE2 3.88Å; L284-Y302 HydrophobicContact CD2-CG 4.26Å; F294-Y302 AromaticContact CD1-CE2 3.97Å; F294-Y302 HydrophobicContact CD1-CE2 3.97Å; F294-Y302 AromaticContact CE1-CE2 3.77Å; F294-Y302 HydrophobicContact CE1-CE2 3.77Å; F294-Y302 HydrophobicContact CZ-CE2 4.28Å; E298-Y302 VanDerWaalsContact O-CD2 3.31Å; E298-Y302 WeakPolarHBondContact O-CD2 3.31Å; E298-Y302 PolarHBondContact O-N 3.47Å; V299-Y302 PolarHBondContact O-N 3.43Å; Y302-A304 VanDerWaalsContact C-N 3.33Å; Y302-A304 PolarHBondContact O-N 2.94Å; Y302-E305 PolarHBondContact O-N 3.19Å; Y302-V306 WeakPolarHBondContact O-CB 3.32Å; Y302-V306 VanDerWaalsContact O-CG2 3.27Å; Y302-V306 WeakPolarHBondContact O-CG2 3.36Å; Y302-V306 PolarHBondContact O-N 3.41Å; Y302-V336 HydrophobicContact CD1-CB 4.45Å; Y302-V336 HydrophobicContact CD1-CG1 3.49Å; Y302-V336 VanDerWaalsContact CD1-CG1 3.49Å; Y302-V336 HydrophobicContact CD1-CG2 4.09Å; Y302-V336 HydrophobicContact CE1-CG1 3.66Å; Y302-P474 HydrophobicContact CD2-CG 4.45Å; Y302-P474 HydrophobicContact CE1-CG 4.26Å; Y302-P474 HydrophobicContact CE2-CG 3.68Å; Y302-L475 WeakPolarHBondContact OH-CB 3.46Å
303A98.7Very high97.5Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-60.6-43.6175.600000111.4V299 F301 E305 V306 I307 L386 F458V299-A303 WeakPolarHBondContact O-CB 3.35Å; V299-A303 PolarHBondContact O-N 3.21Å; F301-A303 VanDerWaalsContact C-N 3.32Å; F301-A303 PolarHBondContact O-N 3.16Å; A303-E305 PolarHBondContact O-N 2.94Å; A303-V306 PolarHBondContact O-N 2.67Å; A303-I307 WeakPolarHBondContact O-CB 3.39Å; A303-I307 VanDerWaalsContact O-CD1 3.29Å; A303-I307 WeakPolarHBondContact O-CD1 3.45Å; A303-I307 WeakPolarHBondContact O-CG1 3.38Å; A303-I307 PolarHBondContact O-N 2.8Å; A303-L386 HydrophobicContact CB-CD1 4.03Å; A303-L386 HydrophobicContact CB-CD2 3.67Å; A303-F458 HydrophobicContact CB-CE1 3.91Å; A303-F458 HydrophobicContact CB-CZ 3.89Å
304A98.7Very high97.7Very high2 Ų221.1 Ų21.12%0.01711%0.111CC..Hα-helixtrans-61.5-44.6-17900000112.1R300 F301 Y302 I307 L308 W463 V466R300-A304 WeakPolarHBondContact O-CB 3.48Å; R300-A304 PolarHBondContact O-N 2.63Å; F301-A304 PolarHBondContact O-N 3.37Å; F301-A304 VanDerWaalsContact O-N 3.16Å; Y302-A304 VanDerWaalsContact C-N 3.33Å; Y302-A304 PolarHBondContact O-N 2.94Å; A304-I307 PolarHBondContact O-N 3.49Å; A304-L308 PolarHBondContact O-N 2.99Å; A304-W463 HydrophobicContact CB-CH2 4.07Å; A304-W463 HydrophobicContact CB-CZ3 3.89Å; A304-V466 HydrophobicContact CB-CG1 4.04Å; A304-V466 HydrophobicContact CB-CG2 4.18Å
305E98.7Very high97.7Very high3 Ų325.7 Ų25.71%0.01414%0.136CC..Hα-helixtrans-66.9-43.9177.6-64.7-161.6149.600112.1F258 F301 Y302 A303 I307 L308 G309 H335 V336 V466F258-E305 WeakPolarHBondContact CB-O 3.42Å; F258-E305 HydrophobicContact CD1-CB 3.66Å; F258-E305 HydrophobicContact CD1-CG 4.04Å; F258-E305 HydrophobicContact CE1-CB 3.82Å; F258-E305 HydrophobicContact CE1-CG 3.69Å; F258-E305 HydrophobicContact CG-CB 4.49Å; F258-E305 WeakPolarHBondContact CG-O 3.43Å; F301-E305 HydrophobicContact CZ-CG 4.41Å; F301-E305 WeakPolarHBondContact CZ-OE1 3.45Å; F301-E305 PolarHBondContact O-N 2.93Å; Y302-E305 PolarHBondContact O-N 3.19Å; A303-E305 PolarHBondContact O-N 2.94Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 3.2Å; E305-L308 PolarHBondContact O-N 3.21Å; E305-G309 PolarHBondContact O-N 3.45Å; E305-H335 IonicContact OE1-CE1 2.69Å; E305-H335 IonicContact OE1-CG 2.79Å; E305-H335 IonicContact OE1-ND1 2.68Å; E305-H335 PolarHBondContact OE1-ND1 3.45Å; E305-H335 IonicContact OE2-ND1 3.29Å; E305-V336 HydrophobicContact CB-CG2 3.62Å; E305-V336 HydrophobicContact CG-CG2 4.41Å; E305-V336 WeakPolarHBondContact OE2-CG2 3.46Å; E305-V336 PolarHBondContact OE2-N 3.13Å; E305-V466 HydrophobicContact CG-CG1 4.05Å
306V98.8Very high97.7Very high1 Ų126.4 Ų26.41%0.00613%0.129CC..Hα-helixtrans-64.2-38.1177.7173.20000111.6Y302 A303 L308 G309 L310 L323 I328 V336 I338 L382 M385Y302-V306 WeakPolarHBondContact O-CB 3.32Å; Y302-V306 VanDerWaalsContact O-CG2 3.27Å; Y302-V306 WeakPolarHBondContact O-CG2 3.36Å; Y302-V306 PolarHBondContact O-N 3.41Å; A303-V306 PolarHBondContact O-N 2.67Å; V306-L308 VanDerWaalsContact C-N 3.32Å; V306-L308 PolarHBondContact O-N 3.09Å; V306-G309 PolarHBondContact O-N 3.39Å; V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 HydrophobicContact CG1-CG 4.38Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.37Å; V306-L323 HydrophobicContact CG1-CD1 3.99Å; V306-L323 HydrophobicContact CG1-CD2 4.08Å; V306-I328 HydrophobicContact CG2-CD1 3.92Å; V306-I328 HydrophobicContact CG2-CG1 4.39Å; V306-I328 HydrophobicContact CG2-CG2 4.26Å; V306-V336 HydrophobicContact CG2-CG2 4.24Å; V306-I338 HydrophobicContact CG1-CD1 4.22Å; V306-I338 HydrophobicContact CG1-CG1 4.49Å; V306-L382 HydrophobicContact CG1-CD1 3.94Å; V306-M385 HydrophobicContact CB-CE 4.47Å; V306-M385 HydrophobicContact CG1-CE 4.24Å; V306-M385 HydrophobicContact CG2-CE 4.17Å
307I98.8Very high97.7Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-58.4-44175.8-74.7161000110.9A303 A304 E305 L310 E311 W379 L382 V452 R453 F458 W463A303-I307 WeakPolarHBondContact O-CB 3.39Å; A303-I307 VanDerWaalsContact O-CD1 3.29Å; A303-I307 WeakPolarHBondContact O-CD1 3.45Å; A303-I307 WeakPolarHBondContact O-CG1 3.38Å; A303-I307 PolarHBondContact O-N 2.8Å; A304-I307 PolarHBondContact O-N 3.49Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 3.2Å; I307-L310 PolarHBondContact O-N 3.1Å; I307-E311 WeakPolarHBondContact O-CB 3.38Å; I307-E311 PolarHBondContact O-N 2.82Å; I307-W379 HydrophobicContact CG1-CZ3 4.23Å; I307-W379 HydrophobicContact CG2-CH2 4.4Å; I307-L382 HydrophobicContact CD1-CD2 4.39Å; I307-L382 HydrophobicContact CG1-CD2 3.79Å; I307-V452 HydrophobicContact CD1-CG1 3.57Å; I307-V452 HydrophobicContact CG1-CG1 4.1Å; I307-R453 HydrophobicContact CG2-CG 3.87Å; I307-F458 HydrophobicContact CD1-CE1 4.12Å; I307-F458 HydrophobicContact CD1-CE2 3.83Å; I307-F458 HydrophobicContact CD1-CZ 3.5Å; I307-F458 VanDerWaalsContact CD1-CZ 3.5Å; I307-W463 HydrophobicContact CB-CZ3 4.3Å; I307-W463 HydrophobicContact CD1-CH2 4.05Å; I307-W463 HydrophobicContact CG2-CH2 4.29Å; I307-W463 HydrophobicContact CG2-CZ3 4.08Å
308L98.2Very high97.8Very high17 Ų1726 Ų269%0.08912%0.118CC..Hα-helixtrans-69.7-33.3178-66.9-176.7000112.2F258 A304 E305 V306 E311 H312 W463 V466F258-L308 HydrophobicContact CD2-CB 3.37Å; F258-L308 HydrophobicContact CD2-CD1 4.26Å; F258-L308 HydrophobicContact CD2-CG 4.46Å; F258-L308 HydrophobicContact CE2-CB 3.44Å; F258-L308 VanDerWaalsContact CE2-CB 3.44Å; F258-L308 HydrophobicContact CE2-CD1 3.41Å; F258-L308 VanDerWaalsContact CE2-CD1 3.41Å; F258-L308 HydrophobicContact CE2-CG 4.07Å; F258-L308 HydrophobicContact CG-CB 4.26Å; F258-L308 HydrophobicContact CZ-CB 4.38Å; F258-L308 HydrophobicContact CZ-CD1 3.84Å; A304-L308 PolarHBondContact O-N 2.99Å; E305-L308 PolarHBondContact O-N 3.21Å; V306-L308 VanDerWaalsContact C-N 3.32Å; V306-L308 PolarHBondContact O-N 3.09Å; L308-E311 PolarHBondContact O-N 3.39Å; L308-H312 PolarHBondContact O-N 3.47Å; L308-H312 VanDerWaalsContact O-N 3.12Å; L308-W463 HydrophobicContact CD1-CE3 4.28Å; L308-W463 HydrophobicContact CD2-CE3 3.91Å; L308-W463 HydrophobicContact CD2-CZ3 4.41Å; L308-W463 HydrophobicContact CG-CE3 4.04Å; L308-W463 HydrophobicContact CG-CZ3 4.29Å; L308-V466 HydrophobicContact CD1-CB 3.97Å; L308-V466 HydrophobicContact CD1-CG1 3.67Å
309G98.1Very high97.8Very high0 Ų023.2 Ų23.20%011%0.105CC..Hα-helixtrans-61-47.1169.800000112.6E305 V306 H312 M313E305-G309 PolarHBondContact O-N 3.45Å; V306-G309 PolarHBondContact O-N 3.39Å; G309-H312 PolarHBondContact O-N 2.86Å; G309-M313 PolarHBondContact O-N 2.73Å
310L98.6Very high97.9Very high0 Ų023.2 Ų23.20%011%0.105CC..Hα-helixtrans-64.1-43176.1-68.2178.3000111.9V306 I307 H312 M313 H314 L323 I338 D378 W379V306-L310 HydrophobicContact CG1-CD1 4.36Å; V306-L310 HydrophobicContact CG1-CG 4.38Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.37Å; I307-L310 PolarHBondContact O-N 3.1Å; L310-H312 VanDerWaalsContact C-N 3.28Å; L310-H312 PolarHBondContact O-N 3.42Å; L310-M313 PolarHBondContact O-N 2.88Å; L310-M313 VanDerWaalsContact O-N 3.11Å; L310-H314 WeakPolarHBondContact O-CB 3.43Å; L310-H314 PolarHBondContact O-CD2 3.04Å; L310-H314 VanDerWaalsContact O-CD2 3.31Å; L310-H314 PolarHBondContact O-N 2.77Å; L310-L323 HydrophobicContact CD1-CD2 4.02Å; L310-I338 HydrophobicContact CD2-CD1 4Å; L310-I338 HydrophobicContact CG-CD1 4.16Å; L310-D378 HydrophobicContact CD1-CB 4.25Å; L310-D378 HydrophobicContact CD2-CB 3.96Å; L310-W379 HydrophobicContact CB-CH2 4.33Å; L310-W379 HydrophobicContact CD1-CE3 4.23Å; L310-W379 HydrophobicContact CD1-CZ3 3.95Å
311E97.6Very high97.9Very high35 Ų3521.2 Ų21.216%0.16410%0.097CC..Hα-helixtrans-54.6-44.3175.7176.7168.3179.900111.7I307 L308 M313 H314 N315 S449 R453I307-E311 WeakPolarHBondContact O-CB 3.38Å; I307-E311 PolarHBondContact O-N 2.82Å; L308-E311 PolarHBondContact O-N 3.39Å; E311-M313 VanDerWaalsContact C-N 3.33Å; E311-M313 PolarHBondContact O-N 2.84Å; E311-H314 PolarHBondContact O-N 3.03Å; E311-N315 VanDerWaalsContact O-CB 3.29Å; E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 3.45Å; E311-N315 PolarHBondContact O-ND2 3.32Å; E311-S449 PolarHBondContact OE1-OG 3.05Å; E311-S449 WeakPolarHBondContact OE2-CB 3.44Å; E311-S449 PolarHBondContact OE2-OG 3.2Å; E311-R453 IonicContact OE1-CZ 3.6Å; E311-R453 IonicContact OE1-NH1 3.77Å; E311-R453 IonicContact OE1-NH2 2.82Å; E311-R453 PolarHBondContact OE1-NH2 2.83Å; E311-R453 IonicContact OE2-CZ 3.56Å; E311-R453 IonicContact OE2-NE 2.74Å; E311-R453 PolarHBondContact OE2-NE 3.33Å; E311-R453 IonicContact OE2-NH1 3.48Å; E311-R453 IonicContact OE2-NH2 3.56Å; E311-R453 PolarHBondContact OE2-NH2 3.23Å
312H97Very high97.8Very high22 Ų2220.4 Ų20.410%0.1029%0.094CC..Hα-helixtrans-61.8-39.6178.1-176.390.7000113.1V250 D254 C256 I259 L308 G309 L310 R316V250-H312 PolarHBondContact O-NE2 3.17Å; D254-H312 PolarHBondContact O-CE1 2.89Å; C256-H312 HydrophobicContact CB-CB 4.19Å; I259-H312 HydrophobicContact CD1-CB 4.05Å; I259-H312 VanDerWaalsContact CD1-CD2 3.49Å; I259-H312 WeakPolarHBondContact CD1-CD2 3.5Å; L308-H312 PolarHBondContact O-N 3.47Å; L308-H312 VanDerWaalsContact O-N 3.12Å; G309-H312 PolarHBondContact O-N 2.86Å; L310-H312 VanDerWaalsContact C-N 3.28Å; L310-H312 PolarHBondContact O-N 3.42Å; H312-R316 PolarHBondContact CE1-NH1 2.75Å; H312-R316 PolarHBondContact CE1-NH2 3.5Å; H312-R316 PolarHBondContact ND1-NH1 3.45Å; H312-R316 PolarHBondContact NE2-NH1 2.87Å; H312-R316 PolarHBondContact O-NH1 2.85Å
313M97.4Very high97.8Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-70.4-45.8175.6-63.2-167.3-164.700111.3V250 I259 G309 L310 E311 N315 R316 F317 I318 Y320 I338 L341V250-M313 HydrophobicContact CG1-CG 4.15Å; I259-M313 HydrophobicContact CD1-CE 3.66Å; I259-M313 HydrophobicContact CD1-CG 3.71Å; I259-M313 HydrophobicContact CG1-CE 3.78Å; I259-M313 HydrophobicContact CG2-CE 3.96Å; G309-M313 PolarHBondContact O-N 2.73Å; L310-M313 PolarHBondContact O-N 2.88Å; L310-M313 VanDerWaalsContact O-N 3.11Å; E311-M313 VanDerWaalsContact C-N 3.33Å; E311-M313 PolarHBondContact O-N 2.84Å; M313-N315 PolarHBondContact O-N 2.59Å; M313-R316 CarbonylContact O-C 3.55Å; M313-R316 WeakPolarHBondContact O-CA 3.48Å; M313-R316 WeakPolarHBondContact O-CB 3.27Å; M313-R316 PolarHBondContact O-N 2.81Å; M313-F317 PolarHBondContact O-N 2.82Å; M313-I318 CarbonylContact C-O 3.5Å; M313-I318 HydrophobicContact CB-CB 4.12Å; M313-I318 HydrophobicContact CB-CG2 4.31Å; M313-I318 WeakPolarHBondContact O-CB 3.27Å; M313-I318 PolarHBondContact O-N 3.46Å; M313-Y320 HydrophobicContact CE-CD2 4.07Å; M313-Y320 HydrophobicContact SD-CD2 3.99Å; M313-Y320 HydrophobicContact SD-CG 4.23Å; M313-I338 HydrophobicContact CE-CB 4.15Å; M313-I338 HydrophobicContact CE-CD1 4.29Å; M313-I338 HydrophobicContact CE-CG2 3.85Å; M313-L341 HydrophobicContact CE-CD1 4.43Å; M313-L341 HydrophobicContact CE-CD2 4.21Å; M313-L341 HydrophobicContact CE-CG 4.36Å
314H97.7Very high97.7Very high21 Ų2121.5 Ų21.510%0.09710%0.099CC..Hα-helixtrans-65.9-38.1-176.8-66.8-178.7000111.9L310 E311 R316 F317 I318 S375 D378 W379L310-H314 WeakPolarHBondContact O-CB 3.43Å; L310-H314 PolarHBondContact O-CD2 3.04Å; L310-H314 VanDerWaalsContact O-CD2 3.31Å; L310-H314 PolarHBondContact O-N 2.77Å; E311-H314 PolarHBondContact O-N 3.03Å; H314-R316 PolarHBondContact O-N 2.83Å; H314-R316 VanDerWaalsContact O-N 3.14Å; H314-F317 WeakPolarHBondContact O-CA 3.2Å; H314-F317 PolarHBondContact O-N 3.06Å; H314-I318 PolarHBondContact CD2-O 2.56Å; H314-I318 VanDerWaalsContact CD2-O 3.29Å; H314-S375 VanDerWaalsContact CE1-CB 3.49Å; H314-S375 WeakPolarHBondContact CE1-CB 3.17Å; H314-S375 WeakPolarHBondContact ND1-CB 3.47Å; H314-D378 IonicContact CD2-OD2 3.37Å; H314-D378 IonicContact CE1-OD2 2.68Å; H314-D378 IonicContact NE2-OD2 3.7Å; H314-D378 PolarHBondContact NE2-OD2 2.86Å; H314-W379 AromaticContact CE1-CE2 3.9Å; H314-W379 AromaticContact CE1-CZ2 3.92Å; H314-W379 AromaticContact ND1-CE2 3.95Å; H314-W379 AromaticContact ND1-CZ2 3.68Å
315N95.3Very high97.6Very high107 Ų10721.5 Ų21.557%0.57210%0.098SC*.THydrogen-bonded Turntrans-62.6-18172.8-73-15.2000113E311 M313E311-N315 VanDerWaalsContact O-CB 3.29Å; E311-N315 WeakPolarHBondContact O-CB 3.32Å; E311-N315 PolarHBondContact O-N 3.45Å; E311-N315 PolarHBondContact O-ND2 3.32Å; M313-N315 PolarHBondContact O-N 2.59Å
316R95.5Very high97.3Very high73 Ų7322.3 Ų22.328%0.27511%0.106SC..THydrogen-bonded Turntrans-103.413.6174-69.8170173.870.2-1.2112.8L249 T252 H312 M313 H314 I318L249-R316 WeakPolarHBondContact O-CD 3Å; T252-R316 PolarHBondContact O-NH2 2.66Å; H312-R316 PolarHBondContact CE1-NH1 2.75Å; H312-R316 PolarHBondContact CE1-NH2 3.5Å; H312-R316 PolarHBondContact ND1-NH1 3.45Å; H312-R316 PolarHBondContact NE2-NH1 2.87Å; H312-R316 PolarHBondContact O-NH1 2.85Å; M313-R316 CarbonylContact O-C 3.55Å; M313-R316 WeakPolarHBondContact O-CA 3.48Å; M313-R316 WeakPolarHBondContact O-CB 3.27Å; M313-R316 PolarHBondContact O-N 2.81Å; H314-R316 PolarHBondContact O-N 2.83Å; H314-R316 VanDerWaalsContact O-N 3.14Å; R316-I318 VanDerWaalsContact C-N 3.26Å; R316-I318 HydrophobicContact CB-CD1 4.11Å; R316-I318 HydrophobicContact CB-CG1 4.39Å; R316-I318 PolarHBondContact O-N 3.48Å
317F97Very high97.2Very high113 Ų11323 Ų2350%0.49611%0.109SC..THydrogen-bonded Turntrans5736.6-177-50.8-84.4000113.4M313 H314 D346 F347M313-F317 PolarHBondContact O-N 2.82Å; H314-F317 WeakPolarHBondContact O-CA 3.2Å; H314-F317 PolarHBondContact O-N 3.06Å; F317-D346 CarbonylContact O-C 3.55Å; F317-D346 WeakPolarHBondContact O-CA 3.29Å; F317-F347 HydrophobicContact CB-CD1 4.5Å; F317-F347 HydrophobicContact CB-CD2 4.2Å; F317-F347 HydrophobicContact CB-CE1 4.37Å; F317-F347 HydrophobicContact CB-CE2 4.06Å; F317-F347 HydrophobicContact CB-CG 4.41Å; F317-F347 HydrophobicContact CB-CZ 4.15Å; F317-F347 HydrophobicContact CD1-CD2 4.4Å; F317-F347 AromaticContact CD1-CE2 3.86Å; F317-F347 HydrophobicContact CD1-CE2 3.86Å; F317-F347 HydrophobicContact CD1-CZ 4.38Å; F317-F347 HydrophobicContact CG-CE2 4.48Å; F317-F347 WeakPolarHBondContact O-CD1 3.39Å; F317-F347 WeakPolarHBondContact O-CE1 3.48Å; F317-F347 WeakPolarHBondContact O-CG 3.26Å; F317-F347 PolarHBondContact O-N 2.82Å
318I97.8Very high97.1Very high0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans-108.4126176.3-63.1166.9000108.7M246 L249 V250 M313 H314 R316 A344 C345M246-I318 HydrophobicContact SD-CG2 4.27Å; L249-I318 HydrophobicContact CB-CD1 3.69Å; L249-I318 HydrophobicContact CD1-CD1 4.2Å; V250-I318 HydrophobicContact CG1-CD1 3.55Å; M313-I318 CarbonylContact C-O 3.5Å; M313-I318 HydrophobicContact CB-CB 4.12Å; M313-I318 HydrophobicContact CB-CG2 4.31Å; M313-I318 WeakPolarHBondContact O-CB 3.27Å; M313-I318 PolarHBondContact O-N 3.46Å; H314-I318 PolarHBondContact CD2-O 2.56Å; H314-I318 VanDerWaalsContact CD2-O 3.29Å; R316-I318 VanDerWaalsContact C-N 3.26Å; R316-I318 HydrophobicContact CB-CD1 4.11Å; R316-I318 HydrophobicContact CB-CG1 4.39Å; R316-I318 PolarHBondContact O-N 3.48Å; I318-A344 HydrophobicContact CG2-CB 4.03Å; I318-C345 WeakPolarHBondContact CA-O 3.47Å
319V98.5Very high97Very high0 Ų024 Ų240%012%0.115CC..EExtended strand (participates in β ladder)trans-98.4132.3168.160.20000108.9R321 A344 C345 F347 P352 D374 A377 D378V319-R321 HydrophobicContact CB-CG 4.26Å; V319-R321 HydrophobicContact CG1-CG 3.86Å; V319-R321 HydrophobicContact CG2-CG 3.62Å; V319-A344 CarbonylContact O-C 3.6Å; V319-A344 VanDerWaalsContact O-CA 3.23Å; V319-A344 WeakPolarHBondContact O-CA 3.41Å; V319-C345 HydrophobicContact CG1-CB 4.05Å; V319-C345 WeakPolarHBondContact CG1-O 3.27Å; V319-C345 PolarHBondContact N-O 3.18Å; V319-C345 PolarHBondContact O-N 3.24Å; V319-F347 HydrophobicContact CB-CD1 4.03Å; V319-F347 HydrophobicContact CB-CE1 4.2Å; V319-F347 HydrophobicContact CG1-CD1 4.13Å; V319-P352 HydrophobicContact CG1-CG 4.12Å; V319-D374 VanDerWaalsContact CG2-O 3.26Å; V319-D374 WeakPolarHBondContact CG2-O 3.36Å; V319-A377 HydrophobicContact CG2-CB 4.18Å; V319-D378 WeakPolarHBondContact CG2-OD2 2.97Å
320Y98.5Very high96.9Very high0 Ų024 Ų240%012%0.115CC..  trans-82.1-43.7-171.4178.1-116.6000113.3M313 D322 L323 N327 I338 S339 D340 L341 A344 D378M313-Y320 HydrophobicContact CE-CD2 4.07Å; M313-Y320 HydrophobicContact SD-CD2 3.99Å; M313-Y320 HydrophobicContact SD-CG 4.23Å; Y320-D322 HydrophobicContact CE1-CB 4.45Å; Y320-D322 VanDerWaalsContact CE1-O 3.32Å; Y320-D322 WeakPolarHBondContact CE1-O 3.36Å; Y320-D322 PolarHBondContact O-N 3.24Å; Y320-D322 VanDerWaalsContact O-N 3.13Å; Y320-L323 HydrophobicContact CD1-CB 3.98Å; Y320-L323 HydrophobicContact CD1-CD1 4.09Å; Y320-L323 HydrophobicContact CE1-CB 4.12Å; Y320-L323 HydrophobicContact CE1-CD1 3.98Å; Y320-N327 VanDerWaalsContact OH-CB 3.25Å; Y320-N327 WeakPolarHBondContact OH-CB 3.5Å; Y320-N327 PolarHBondContact OH-ND2 2.93Å; Y320-I338 HydrophobicContact CD1-CG2 4.17Å; Y320-I338 HydrophobicContact CD2-CG2 4.07Å; Y320-I338 HydrophobicContact CE1-CG2 3.74Å; Y320-I338 HydrophobicContact CE2-CG2 3.65Å; Y320-I338 HydrophobicContact CG-CG2 4.33Å; Y320-I338 VanDerWaalsContact CZ-CG2 3.5Å; Y320-S339 WeakPolarHBondContact CE2-O 3.41Å; Y320-S339 VanDerWaalsContact CZ-O 3.28Å; Y320-S339 PolarHBondContact OH-O 2.84Å; Y320-D340 VanDerWaalsContact CE2-O 3.29Å; Y320-D340 WeakPolarHBondContact CE2-O 3.32Å; Y320-D340 PolarHBondContact OH-O 2.96Å; Y320-L341 HydrophobicContact CD2-CG 4.39Å; Y320-L341 HydrophobicContact CE2-CG 4.3Å; Y320-A344 HydrophobicContact CD2-CB 4.44Å; Y320-A344 WeakPolarHBondContact O-CA 3.38Å; Y320-D378 PolarHBondContact N-OD1 3.07Å; Y320-D378 PolarHBondContact N-OD2 3.17Å
321R98.1Very high96.5Very high30 Ų3025 Ų2511%0.11312%0.12CC..  trans67.2-4.4171.3-51-171-64.8-179.1-1.5118.1V319 L343 G357 Y373 D378V319-R321 HydrophobicContact CB-CG 4.26Å; V319-R321 HydrophobicContact CG1-CG 3.86Å; V319-R321 HydrophobicContact CG2-CG 3.62Å; R321-L343 PolarHBondContact NE-O 3.4Å; R321-L343 PolarHBondContact NH2-O 2.9Å; R321-G357 VanDerWaalsContact O-CA 3.31Å; R321-G357 WeakPolarHBondContact O-CA 3.43Å; R321-Y373 VanDerWaalsContact CD-OH 3.29Å; R321-Y373 WeakPolarHBondContact CD-OH 3.36Å; R321-Y373 HydrophobicContact CG-CE2 4.27Å; R321-Y373 PolarHBondContact NH1-OH 3.48Å; R321-D378 PolarHBondContact N-OD1 2.85Å
322D97.1Very high96.1Very high5 Ų525.9 Ų25.93%0.02712%0.124CC..  trans-131.340.9177.9-157.637.4000113.5Y320 K324 N327 L343 T358Y320-D322 HydrophobicContact CE1-CB 4.45Å; Y320-D322 VanDerWaalsContact CE1-O 3.32Å; Y320-D322 WeakPolarHBondContact CE1-O 3.36Å; Y320-D322 PolarHBondContact O-N 3.24Å; Y320-D322 VanDerWaalsContact O-N 3.13Å; D322-K324 PolarHBondContact O-N 3Å; D322-K324 IonicContact OD1-NZ 2.83Å; D322-K324 PolarHBondContact OD1-NZ 3.21Å; D322-K324 VanDerWaalsContact OD2-CE 3.24Å; D322-K324 WeakPolarHBondContact OD2-CE 3.5Å; D322-K324 IonicContact OD2-NZ 2.81Å; D322-K324 PolarHBondContact OD2-NZ 3.25Å; D322-N327 PolarHBondContact O-ND2 2.93Å; D322-N327 PolarHBondContact OD2-ND2 3.08Å; D322-L343 HydrophobicContact CB-CB 4.35Å; D322-L343 HydrophobicContact CB-CD1 4Å; D322-T358 WeakPolarHBondContact OD1-CB 3.22Å; D322-T358 PolarHBondContact OD1-N 3.39Å; D322-T358 VanDerWaalsContact OD1-N 3.1Å; D322-T358 PolarHBondContact OD1-OG1 2.86Å
323L98.5Very high95.8Very high0 Ų030.3 Ų30.30%014%0.141CC..  trans-73.6112.6-179.9-162.467.4000111.8V306 L310 Y320 I328 Y361 L382 M385V306-L323 HydrophobicContact CG1-CD1 3.99Å; V306-L323 HydrophobicContact CG1-CD2 4.08Å; L310-L323 HydrophobicContact CD1-CD2 4.02Å; Y320-L323 HydrophobicContact CD1-CB 3.98Å; Y320-L323 HydrophobicContact CD1-CD1 4.09Å; Y320-L323 HydrophobicContact CE1-CB 4.12Å; Y320-L323 HydrophobicContact CE1-CD1 3.98Å; L323-I328 HydrophobicContact CD1-CD1 3.76Å; L323-Y361 WeakPolarHBondContact O-CD1 3.31Å; L323-L382 HydrophobicContact CD2-CB 3.84Å; L323-L382 HydrophobicContact CD2-CD1 4.12Å; L323-M385 HydrophobicContact CD1-SD 4.34Å; L323-M385 HydrophobicContact CG-SD 4.04Å
324K96.6Very high95.7Very high23 Ų2330.3 Ų30.310%0.114%0.141CC..SBendtrans-154.4159.2178.563-170169.2-160.10109.8D322 A326 N327 T358 Y361D322-K324 PolarHBondContact O-N 3Å; D322-K324 IonicContact OD1-NZ 2.83Å; D322-K324 PolarHBondContact OD1-NZ 3.21Å; D322-K324 VanDerWaalsContact OD2-CE 3.24Å; D322-K324 WeakPolarHBondContact OD2-CE 3.5Å; D322-K324 IonicContact OD2-NZ 2.81Å; D322-K324 PolarHBondContact OD2-NZ 3.25Å; K324-A326 HydrophobicContact CG-CB 4.36Å; K324-A326 PolarHBondContact O-N 3.18Å; K324-A326 VanDerWaalsContact O-N 3.12Å; K324-N327 VanDerWaalsContact CE-CG 3.45Å; K324-N327 WeakPolarHBondContact CE-ND2 3.46Å; K324-N327 WeakPolarHBondContact CE-OD1 3.45Å; K324-N327 HydrophobicContact CG-CB 4.23Å; K324-N327 PolarHBondContact O-N 3.14Å; K324-T358 HydrophobicContact CD-CG2 4.22Å; K324-T358 WeakPolarHBondContact CD-OG1 3.33Å; K324-T358 PolarHBondContact NZ-OG1 3.49Å; K324-Y361 HydrophobicContact CB-CD1 4.24Å; K324-Y361 HydrophobicContact CB-CD2 4.18Å; K324-Y361 HydrophobicContact CB-CE1 3.96Å; K324-Y361 HydrophobicContact CB-CE2 3.88Å; K324-Y361 HydrophobicContact CB-CG 4.34Å
325P96.1Very high95.7Very high1 Ų130.1 Ų30.11%0.00614%0.14CC..G310 helixtrans-56.8-33.2-177.4-27.236.5000114.4L284 H285 N327 I328 M385 K388 L389L284-P325 HydrophobicContact CB-CB 3.93Å; L284-P325 WeakPolarHBondContact CB-O 3.26Å; L284-P325 PolarHBondContact N-O 3.48Å; H285-P325 HydrophobicContact CB-CB 4.06Å; H285-P325 PolarHBondContact N-O 3.43Å; P325-N327 PolarHBondContact O-N 3.45Å; P325-I328 PolarHBondContact O-N 3.32Å; P325-I328 VanDerWaalsContact O-N 3.14Å; P325-M385 HydrophobicContact CG-CG 3.92Å; P325-K388 HydrophobicContact CG-CD 4.05Å; P325-K388 HydrophobicContact CG-CG 4.44Å; P325-L389 HydrophobicContact CB-CD2 4.39Å; P325-L389 HydrophobicContact CG-CD2 4.26Å
326A92.6Very high95.8Very high21 Ų2125 Ų2517%0.17411%0.113CC..G310 helixtrans-66.4-19.4178.600000113.9H285 K324H285-A326 HydrophobicContact CB-CB 3.91Å; K324-A326 HydrophobicContact CG-CB 4.36Å; K324-A326 PolarHBondContact O-N 3.18Å; K324-A326 VanDerWaalsContact O-N 3.12Å
327N96.1Very high96Very high14 Ų1423.4 Ų23.48%0.07511%0.107CC..G310 helixtrans-98.75.9177.7-69.74.1000112.7Y320 D322 K324 P325 S339Y320-N327 VanDerWaalsContact OH-CB 3.25Å; Y320-N327 WeakPolarHBondContact OH-CB 3.5Å; Y320-N327 PolarHBondContact OH-ND2 2.93Å; D322-N327 PolarHBondContact O-ND2 2.93Å; D322-N327 PolarHBondContact OD2-ND2 3.08Å; K324-N327 VanDerWaalsContact CE-CG 3.45Å; K324-N327 WeakPolarHBondContact CE-ND2 3.46Å; K324-N327 WeakPolarHBondContact CE-OD1 3.45Å; K324-N327 HydrophobicContact CG-CB 4.23Å; K324-N327 PolarHBondContact O-N 3.14Å; P325-N327 PolarHBondContact O-N 3.45Å; N327-S339 PolarHBondContact O-N 3.41Å
328I97.7Very high96Very high0 Ų018 Ų180%08%0.083CC..EExtended strand (participates in β ladder)trans-107.1104.1175.9-54.8-54.2000108.2D283 L284 V306 L323 P325 V336 I338 M385D283-I328 CarbonylContact C-O 3.57Å; D283-I328 VanDerWaalsContact CA-O 3.29Å; D283-I328 WeakPolarHBondContact CA-O 3.07Å; L284-I328 HydrophobicContact CB-CB 4.3Å; L284-I328 HydrophobicContact CD1-CB 3.78Å; L284-I328 HydrophobicContact CD1-CG1 4.35Å; L284-I328 HydrophobicContact CD1-CG2 3.47Å; L284-I328 VanDerWaalsContact CD1-CG2 3.47Å; L284-I328 HydrophobicContact CG-CB 4.06Å; L284-I328 HydrophobicContact CG-CG2 3.87Å; L284-I328 PolarHBondContact N-O 2.99Å; V306-I328 HydrophobicContact CG2-CD1 3.92Å; V306-I328 HydrophobicContact CG2-CG1 4.39Å; V306-I328 HydrophobicContact CG2-CG2 4.26Å; L323-I328 HydrophobicContact CD1-CD1 3.76Å; P325-I328 PolarHBondContact O-N 3.32Å; P325-I328 VanDerWaalsContact O-N 3.14Å; I328-V336 HydrophobicContact CG2-CB 3.52Å; I328-V336 HydrophobicContact CG2-CG1 3.74Å; I328-V336 HydrophobicContact CG2-CG2 4.01Å; I328-I338 HydrophobicContact CD1-CB 4.43Å; I328-I338 HydrophobicContact CD1-CG1 3.89Å; I328-M385 HydrophobicContact CD1-SD 4.33Å; I328-M385 HydrophobicContact CG1-SD 3.73Å
329L95.8Very high95.9Very high39 Ų3919.1 Ų19.120%0.2049%0.09CC..EExtended strand (participates in β ladder)trans-94.9147.3-176.1-55.7-173.9000111.3V260 M279 G282 D283 V336 R337V260-L329 HydrophobicContact CG2-CD1 4.26Å; M279-L329 HydrophobicContact CB-CB 3.56Å; M279-L329 HydrophobicContact CB-CD1 3.81Å; M279-L329 HydrophobicContact CB-CG 4.33Å; M279-L329 HydrophobicContact CE-CB 4.32Å; M279-L329 WeakPolarHBondContact CE-O 3.3Å; M279-L329 HydrophobicContact CG-CB 3.83Å; M279-L329 HydrophobicContact CG-CD1 4.01Å; G282-L329 CarbonylContact O-C 3.56Å; G282-L329 WeakPolarHBondContact O-CA 3.33Å; D283-L329 HydrophobicContact CB-CD2 3.61Å; L329-V336 CarbonylContact O-C 3.59Å; L329-V336 WeakPolarHBondContact O-CA 3.39Å; L329-R337 PolarHBondContact N-O 3.16Å; L329-R337 PolarHBondContact O-N 3.33Å
330L94.9Very high95.6Very high0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-102.4146.2176.4-71.272.8000110.7M279 N280 G281 G282 L284 H335 V336 L475 P477M279-L330 CarbonylContact C-O 3.54Å; M279-L330 VanDerWaalsContact CE-C 3.47Å; N280-L330 PolarHBondContact N-O 3.46Å; G281-L330 VanDerWaalsContact CA-O 3.22Å; G281-L330 WeakPolarHBondContact CA-O 3.32Å; G281-L330 PolarHBondContact N-O 3.22Å; G282-L330 PolarHBondContact O-N 3.49Å; L284-L330 HydrophobicContact CD2-CD1 3.93Å; L284-L330 HydrophobicContact CG-CD1 4Å; L330-H335 CarbonylContact C-O 3.36Å; L330-H335 WeakPolarHBondContact CA-O 3.35Å; L330-V336 HydrophobicContact CD1-CG1 3.96Å; L330-V336 HydrophobicContact CG-CG1 3.85Å; L330-L475 HydrophobicContact CD2-CD2 4.37Å; L330-P477 HydrophobicContact CB-CG 4.24Å; L330-P477 HydrophobicContact CD2-CG 4.11Å
331D91.7Very high95.4Very high21 Ų2121.8 Ų21.811%0.11211%0.105CC..  trans-88.6-1761667014.9000111.7M279 Y333 G334 H335M279-D331 HydrophobicContact CE-CB 3.91Å; M279-D331 HydrophobicContact SD-CB 4.44Å; D331-Y333 PolarHBondContact O-N 3.29Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.25Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.33Å; D331-Y333 PolarHBondContact OD1-N 3.02Å; D331-G334 PolarHBondContact O-N 3.26Å; D331-G334 PolarHBondContact OD1-N 2.55Å; D331-H335 PolarHBondContact N-O 3.02Å; D331-H335 PolarHBondContact OD1-N 2.94Å
332E87.7Confident95.1Very high53 Ų5320.8 Ų20.825%0.24810%0.103CC..THydrogen-bonded Turntrans-66.8-11.8179.570.1179.5149.100115.1N280N280-E332 WeakPolarHBondContact ND2-CB 3.49Å; N280-E332 PolarHBondContact OD1-N 3.21Å; N280-E332 VanDerWaalsContact OD1-N 3.07Å
333Y92.2Very high95Very high116 Ų11621.4 Ų21.446%0.45511%0.107SC..THydrogen-bonded Turntrans-102.5-14.3179.3-56.1-75.2000111.5D331 P473D331-Y333 PolarHBondContact O-N 3.29Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.25Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.33Å; D331-Y333 PolarHBondContact OD1-N 3.02Å; Y333-P473 VanDerWaalsContact O-CG 3.29Å; Y333-P473 WeakPolarHBondContact O-CG 3.23Å
334G94.5Very high94.9Very high0 Ų021.4 Ų21.40%011%0.107CC..SBendtrans98.84.1179.900000114.4D331 L475D331-G334 PolarHBondContact O-N 3.26Å; D331-G334 PolarHBondContact OD1-N 2.55Å; G334-L475 WeakPolarHBondContact CA-O 3.29Å
335H97.6Very high95Very high16 Ų1621.6 Ų21.67%0.07411%0.11CC..  trans-75.2147173.4-67.9-77000110.7F301 E305 L330 D331 Q469 Y471F301-H335 AromaticContact CZ-ND1 3.68Å; E305-H335 IonicContact OE1-CE1 2.69Å; E305-H335 IonicContact OE1-CG 2.79Å; E305-H335 IonicContact OE1-ND1 2.68Å; E305-H335 PolarHBondContact OE1-ND1 3.45Å; E305-H335 IonicContact OE2-ND1 3.29Å; L330-H335 CarbonylContact C-O 3.36Å; L330-H335 WeakPolarHBondContact CA-O 3.35Å; D331-H335 PolarHBondContact N-O 3.02Å; D331-H335 PolarHBondContact OD1-N 2.94Å; H335-Q469 PolarHBondContact CE1-O 3.14Å; H335-Q469 VanDerWaalsContact CG-NE2 3.32Å; H335-Y471 PolarHBondContact CE1-O 3.35Å
336V98.2Very high95Very high1 Ų124.4 Ų24.41%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-105.4148.6-173-65.60000114.2L284 Y302 E305 V306 I328 L329 L330L284-V336 HydrophobicContact CG-CG1 4.46Å; Y302-V336 HydrophobicContact CD1-CB 4.45Å; Y302-V336 HydrophobicContact CD1-CG1 3.49Å; Y302-V336 VanDerWaalsContact CD1-CG1 3.49Å; Y302-V336 HydrophobicContact CD1-CG2 4.09Å; Y302-V336 HydrophobicContact CE1-CG1 3.66Å; E305-V336 HydrophobicContact CB-CG2 3.62Å; E305-V336 HydrophobicContact CG-CG2 4.41Å; E305-V336 WeakPolarHBondContact OE2-CG2 3.46Å; E305-V336 PolarHBondContact OE2-N 3.13Å; V306-V336 HydrophobicContact CG2-CG2 4.24Å; I328-V336 HydrophobicContact CG2-CB 3.52Å; I328-V336 HydrophobicContact CG2-CG1 3.74Å; I328-V336 HydrophobicContact CG2-CG2 4.01Å; L329-V336 CarbonylContact O-C 3.59Å; L329-V336 WeakPolarHBondContact O-CA 3.39Å; L330-V336 HydrophobicContact CD1-CG1 3.96Å; L330-V336 HydrophobicContact CG-CG1 3.85Å
337R98.4Very high95.2Very high39 Ų3924.6 Ų24.615%0.14712%0.122CC..EExtended strand (participates in β ladder)trans-134.7141.7170.8-58.3-167.9-176.2-149-6.6112P257 F258 V260 D277 M279 L329P257-R337 WeakPolarHBondContact O-CD 3.3Å; P257-R337 VanDerWaalsContact O-CG 3.24Å; P257-R337 WeakPolarHBondContact O-CG 3.4Å; P257-R337 VanDerWaalsContact O-CZ 3.24Å; P257-R337 PolarHBondContact O-NE 3.07Å; F258-R337 CarbonylContact O-C 3.56Å; F258-R337 WeakPolarHBondContact O-CA 3.43Å; V260-R337 HydrophobicContact CG2-CB 3.78Å; D277-R337 IonicContact OD2-NH1 3.38Å; D277-R337 PolarHBondContact OD2-NH1 2.84Å; M279-R337 HydrophobicContact CE-CB 3.78Å; M279-R337 HydrophobicContact CE-CG 3.53Å; M279-R337 HydrophobicContact SD-CB 4.27Å; M279-R337 VanDerWaalsContact SD-CD 3.58Å; M279-R337 HydrophobicContact SD-CG 3.98Å; L329-R337 PolarHBondContact N-O 3.16Å; L329-R337 PolarHBondContact O-N 3.33Å
338I98.5Very high95.2Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-71128.1170.4-54.6173000108.8F258 V260 V306 L310 M313 Y320 I328F258-I338 PolarHBondContact O-N 3.04Å; V260-I338 PolarHBondContact N-O 2.88Å; V306-I338 HydrophobicContact CG1-CD1 4.22Å; V306-I338 HydrophobicContact CG1-CG1 4.49Å; L310-I338 HydrophobicContact CD2-CD1 4Å; L310-I338 HydrophobicContact CG-CD1 4.16Å; M313-I338 HydrophobicContact CE-CB 4.15Å; M313-I338 HydrophobicContact CE-CD1 4.29Å; M313-I338 HydrophobicContact CE-CG2 3.85Å; Y320-I338 HydrophobicContact CD1-CG2 4.17Å; Y320-I338 HydrophobicContact CD2-CG2 4.07Å; Y320-I338 HydrophobicContact CE1-CG2 3.74Å; Y320-I338 HydrophobicContact CE2-CG2 3.65Å; Y320-I338 HydrophobicContact CG-CG2 4.33Å; Y320-I338 VanDerWaalsContact CZ-CG2 3.5Å; I328-I338 HydrophobicContact CD1-CB 4.43Å; I328-I338 HydrophobicContact CD1-CG1 3.89Å
339S95.5Very high95.1Very high22 Ų2238.4 Ų38.415%0.15418%0.183CC..  trans-113.8177179.6-177.10000111.9Y320 N327Y320-S339 WeakPolarHBondContact CE2-O 3.41Å; Y320-S339 VanDerWaalsContact CZ-O 3.28Å; Y320-S339 PolarHBondContact OH-O 2.84Å; N327-S339 PolarHBondContact O-N 3.41Å
340D92.1Very high95.1Very high56 Ų5645.2 Ų45.230%0.29921%0.206SC..  trans51.581.9171.5-158.55.1000116.2K224 Y320 G342K224-D340 IonicContact NZ-OD1 3.5Å; K224-D340 PolarHBondContact NZ-OD1 3.08Å; K224-D340 VanDerWaalsContact NZ-OD1 3.08Å; Y320-D340 VanDerWaalsContact CE2-O 3.29Å; Y320-D340 WeakPolarHBondContact CE2-O 3.32Å; Y320-D340 PolarHBondContact OH-O 2.96Å; D340-G342 VanDerWaalsContact C-N 3.28Å; D340-G342 PolarHBondContact O-N 2.68Å
341L94.6Very high95.1Very high1 Ų149.9 Ų49.91%0.00523%0.226CC..  trans-88.815.7-180-75.979.2000113.2M246 L247 V250 I259 M313 Y320 L343 A344M246-L341 HydrophobicContact CB-CB 4Å; M246-L341 HydrophobicContact CB-CD2 4.15Å; L247-L341 HydrophobicContact CD2-CD1 4.1Å; V250-L341 HydrophobicContact CB-CD2 4.35Å; V250-L341 HydrophobicContact CG1-CD2 3.79Å; V250-L341 HydrophobicContact CG2-CD2 3.64Å; I259-L341 HydrophobicContact CG2-CD1 4.34Å; M313-L341 HydrophobicContact CE-CD1 4.43Å; M313-L341 HydrophobicContact CE-CD2 4.21Å; M313-L341 HydrophobicContact CE-CG 4.36Å; Y320-L341 HydrophobicContact CD2-CG 4.39Å; Y320-L341 HydrophobicContact CE2-CG 4.3Å; L341-L343 PolarHBondContact O-N 2.8Å; L341-A344 HydrophobicContact CB-CB 4.11Å; L341-A344 HydrophobicContact CG-CB 4.41Å; L341-A344 WeakPolarHBondContact O-CB 2.88Å; L341-A344 PolarHBondContact O-N 2.82Å
342G91.4Very high95.3Very high8 Ų849.5 Ų49.58%0.08223%0.225CC..THydrogen-bonded Turntrans-58.6-33.6-176.400000113.8N242 D340N242-G342 PolarHBondContact ND2-O 3.07Å; D340-G342 VanDerWaalsContact C-N 3.28Å; D340-G342 PolarHBondContact O-N 2.68Å
343L94.5Very high95.7Very high18 Ų1850.9 Ų50.99%0.09423%0.231CC..THydrogen-bonded Turntrans-95.7-1.3177.3-61.8-178.4000113.9L239 R321 D322 L341L239-L343 HydrophobicContact CD2-CD2 3.77Å; R321-L343 PolarHBondContact NE-O 3.4Å; R321-L343 PolarHBondContact NH2-O 2.9Å; D322-L343 HydrophobicContact CB-CB 4.35Å; D322-L343 HydrophobicContact CB-CD1 4Å; L341-L343 PolarHBondContact O-N 2.8Å
344A97.5Very high95.8Very high0 Ų047.6 Ų47.60%023%0.228CC..  trans-67.2159.3178.100000111.7N242 M246 I318 V319 Y320 L341N242-A344 PolarHBondContact ND2-O 2.86Å; M246-A344 HydrophobicContact CB-CB 4.23Å; M246-A344 HydrophobicContact CG-CB 3.87Å; M246-A344 HydrophobicContact SD-CB 4.19Å; I318-A344 HydrophobicContact CG2-CB 4.03Å; V319-A344 CarbonylContact O-C 3.6Å; V319-A344 VanDerWaalsContact O-CA 3.23Å; V319-A344 WeakPolarHBondContact O-CA 3.41Å; Y320-A344 HydrophobicContact CD2-CB 4.44Å; Y320-A344 WeakPolarHBondContact O-CA 3.38Å; L341-A344 HydrophobicContact CB-CB 4.11Å; L341-A344 HydrophobicContact CG-CB 4.41Å; L341-A344 WeakPolarHBondContact O-CB 2.88Å; L341-A344 PolarHBondContact O-N 2.82Å
345C97.6Very high95.7Very high27 Ų2749.4 Ų49.418%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-147135.5-178.2-174.40000112.5I318 V319I318-C345 WeakPolarHBondContact CA-O 3.47Å; V319-C345 HydrophobicContact CG1-CB 4.05Å; V319-C345 WeakPolarHBondContact CG1-O 3.27Å; V319-C345 PolarHBondContact N-O 3.18Å; V319-C345 PolarHBondContact O-N 3.24Å
346D96.9Very high95.5Very high60 Ų6050.4 Ų50.432%0.32125%0.248SC..EExtended strand (participates in β ladder)trans-76.4121.41691737.6000110.1M246 L249 F317 S348M246-D346 HydrophobicContact CE-CB 4.13Å; L249-D346 HydrophobicContact CD1-CB 4.46Å; F317-D346 CarbonylContact O-C 3.55Å; F317-D346 WeakPolarHBondContact O-CA 3.29Å; D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-N 3.08Å; D346-S348 PolarHBondContact OD1-OG 3.09Å; D346-S348 PolarHBondContact OD2-OG 2.91Å
347F96.8Very high95.3Very high25 Ų2551.2 Ų51.211%0.1126%0.257CS..  trans-10910178.167.3-96.2000114F317 V319 R349 D374F317-F347 HydrophobicContact CB-CD1 4.5Å; F317-F347 HydrophobicContact CB-CD2 4.2Å; F317-F347 HydrophobicContact CB-CE1 4.37Å; F317-F347 HydrophobicContact CB-CE2 4.06Å; F317-F347 HydrophobicContact CB-CG 4.41Å; F317-F347 HydrophobicContact CB-CZ 4.15Å; F317-F347 HydrophobicContact CD1-CD2 4.4Å; F317-F347 AromaticContact CD1-CE2 3.86Å; F317-F347 HydrophobicContact CD1-CE2 3.86Å; F317-F347 HydrophobicContact CD1-CZ 4.38Å; F317-F347 HydrophobicContact CG-CE2 4.48Å; F317-F347 WeakPolarHBondContact O-CD1 3.39Å; F317-F347 WeakPolarHBondContact O-CE1 3.48Å; F317-F347 WeakPolarHBondContact O-CG 3.26Å; F317-F347 PolarHBondContact O-N 2.82Å; V319-F347 HydrophobicContact CB-CD1 4.03Å; V319-F347 HydrophobicContact CB-CE1 4.2Å; V319-F347 HydrophobicContact CG1-CD1 4.13Å; F347-R349 PolarHBondContact O-N 2.84Å; F347-D374 HydrophobicContact CD2-CB 3.96Å; F347-D374 HydrophobicContact CE2-CB 3.99Å; F347-D374 HydrophobicContact CG-CB 4.28Å; F347-D374 HydrophobicContact CZ-CB 4.32Å
348S96.3Very high95Very high63 Ų6351.2 Ų51.244%0.44126%0.261SS..SBendtrans-58.8-34.4-179.562.40000113.2D346D346-S348 WeakPolarHBondContact OD1-CB 3.47Å; D346-S348 PolarHBondContact OD1-N 3.08Å; D346-S348 PolarHBondContact OD1-OG 3.09Å; D346-S348 PolarHBondContact OD2-OG 2.91Å
349R94.8Very high94.8Very high242 Ų24254 Ų5491%0.91327%0.274SS*.SBendtrans-103.3-40.5-179.6-61-175.2-178-152.5-0.2113.7F347F347-R349 PolarHBondContact O-N 2.84Å
350R95Very high94.7Very high182 Ų18253 Ų5369%0.68727%0.268SS*.SBendtrans-147.7126.7-175.8-175.9178179.9-175.8-0.5109.9
351K96.5Very high94.9Very high97 Ų9751.2 Ų51.242%0.42226%0.257SS..  trans-64.7132.6172.8-69.1-166.5-175.9-1640111.4P372 Y373 D374K351-P372 HydrophobicContact CB-CB 3.88Å; K351-P372 HydrophobicContact CD-CB 4.49Å; K351-Y373 VanDerWaalsContact CB-O 3.31Å; K351-Y373 WeakPolarHBondContact CB-O 3.4Å; K351-D374 HydrophobicContact CD-CB 4.31Å; K351-D374 WeakPolarHBondContact CE-OD2 3.24Å; K351-D374 IonicContact NZ-OD2 3.73Å; K351-D374 PolarHBondContact NZ-OD2 3.15Å
352P95.9Very high95.1Very high13 Ų1351.6 Ų51.68%0.08426%0.258CS..  trans-65.1157.5169.628.8-36.6000111.3V319 P372 Y373V319-P352 HydrophobicContact CG1-CG 4.12Å; P352-P372 CarbonylContact O-C 3.55Å; P352-P372 VanDerWaalsContact O-CA 3.28Å; P352-P372 WeakPolarHBondContact O-CA 3.41Å; P352-Y373 HydrophobicContact CB-CE1 4.37Å; P352-Y373 HydrophobicContact CB-CE2 4.11Å; P352-Y373 VanDerWaalsContact CD-O 3.31Å; P352-Y373 WeakPolarHBondContact CD-O 3.42Å; P352-Y373 HydrophobicContact CG-CD2 3.92Å; P352-Y373 HydrophobicContact CG-CE1 4.45Å; P352-Y373 HydrophobicContact CG-CE2 3.5Å; P352-Y373 VanDerWaalsContact CG-CE2 3.5Å; P352-Y373 WeakPolarHBondContact O-CD1 3.24Å; P352-Y373 PolarHBondContact O-N 3.21Å
353H95.5Very high95.3Very high83 Ų8351.2 Ų51.238%0.38426%0.255SS..  trans-143.54.517960.1-79000112.9G370 C371H353-G370 PolarHBondContact O-N 2.88Å; H353-C371 WeakPolarHBondContact CA-O 3.31Å; H353-C371 WeakPolarHBondContact CB-O 3.48Å
354A93Very high95.5Very high47 Ų4750.7 Ų50.739%0.38825%0.252SS..SBendtrans-81.5138.5177.400000109.5V356 Y373A354-V356 HydrophobicContact CB-CG1 4.12Å; A354-V356 PolarHBondContact O-N 3.2Å; A354-Y373 WeakPolarHBondContact O-CE1 3.5Å; A354-Y373 PolarHBondContact O-OH 3.49Å
355S93.6Very high95.5Very high38 Ų3851.2 Ų51.227%0.26626%0.255SS..  trans-75.4102.7170.8-176.50000108.6V366S355-V366 VanDerWaalsContact CA-O 3.28Å; S355-V366 WeakPolarHBondContact CA-O 3.32Å; S355-V366 VanDerWaalsContact CB-O 3.3Å; S355-V366 WeakPolarHBondContact CB-O 3.29Å
356V93.1Very high95.5Very high36 Ų3650.1 Ų50.122%0.21825%0.247CC..  trans-141.1146.1-179.9-61.20000109.7A354 M362A354-V356 HydrophobicContact CB-CG1 4.12Å; A354-V356 PolarHBondContact O-N 3.2Å; V356-M362 VanDerWaalsContact C-SD 3.6Å
357G93.4Very high95.4Very high19 Ų1948.3 Ų48.320%0.19624%0.237CC..SBendtrans129.2175-17600000111.3R321R321-G357 VanDerWaalsContact O-CA 3.31Å; R321-G357 WeakPolarHBondContact O-CA 3.43Å
358T93.5Very high95.3Very high39 Ų3951.7 Ų51.724%0.23926%0.256CS..  trans-78.3127.5177-59.60000111.2D322 K324 G360 Y361 M362D322-T358 WeakPolarHBondContact OD1-CB 3.22Å; D322-T358 PolarHBondContact OD1-N 3.39Å; D322-T358 VanDerWaalsContact OD1-N 3.1Å; D322-T358 PolarHBondContact OD1-OG1 2.86Å; K324-T358 HydrophobicContact CD-CG2 4.22Å; K324-T358 WeakPolarHBondContact CD-OG1 3.33Å; K324-T358 PolarHBondContact NZ-OG1 3.49Å; T358-G360 PolarHBondContact O-N 3.02Å; T358-Y361 HydrophobicContact CG2-CD2 3.8Å; T358-Y361 HydrophobicContact CG2-CE2 3.94Å; T358-Y361 PolarHBondContact O-N 2.93Å; T358-Y361 VanDerWaalsContact O-N 3.09Å; T358-M362 PolarHBondContact O-N 2.85Å
359H93.5Very high94.8Very high58 Ų5857.6 Ų57.627%0.26927%0.274SS..THydrogen-bonded Turntrans-54.8136173.9-70.4-84.7000111.3M362 I407 D408H359-M362 HydrophobicContact CB-CE 4.31Å; H359-M362 VanDerWaalsContact ND1-CE 3.33Å; H359-M362 WeakPolarHBondContact ND1-CE 3.32Å; H359-I407 HydrophobicContact CB-CG2 4.44Å; H359-D408 IonicContact CE1-OD1 3.25Å; H359-D408 IonicContact CE1-OD2 2.7Å; H359-D408 PolarHBondContact CE1-OD2 3.1Å; H359-D408 VanDerWaalsContact CE1-OD2 3.25Å; H359-D408 IonicContact CG-OD1 3.28Å; H359-D408 IonicContact ND1-OD1 3.57Å; H359-D408 PolarHBondContact ND1-OD1 3.22Å; H359-D408 IonicContact ND1-OD2 3.93Å; H359-D408 PolarHBondContact ND1-OD2 3.32Å
360G93.5Very high94.5Very high2 Ų248.5 Ų48.52%0.02126%0.256CS..THydrogen-bonded Turntrans88.9-1-174.500000114.9T358 S394 I407T358-G360 PolarHBondContact O-N 3.02Å; G360-S394 PolarHBondContact O-OG 2.98Å; G360-I407 VanDerWaalsContact CA-CG2 3.49Å
361Y96.9Very high94.5Very high18 Ų1842 Ų427%0.07124%0.238CC..THydrogen-bonded Turntrans-125-22.9168-53.7-92.2000112.7L323 K324 T358 A363 S381 C384 K388L323-Y361 WeakPolarHBondContact O-CD1 3.31Å; K324-Y361 HydrophobicContact CB-CD1 4.24Å; K324-Y361 HydrophobicContact CB-CD2 4.18Å; K324-Y361 HydrophobicContact CB-CE1 3.96Å; K324-Y361 HydrophobicContact CB-CE2 3.88Å; K324-Y361 HydrophobicContact CB-CG 4.34Å; T358-Y361 HydrophobicContact CG2-CD2 3.8Å; T358-Y361 HydrophobicContact CG2-CE2 3.94Å; T358-Y361 PolarHBondContact O-N 2.93Å; T358-Y361 VanDerWaalsContact O-N 3.09Å; Y361-A363 PolarHBondContact O-N 3.22Å; Y361-S381 WeakPolarHBondContact O-CA 3.46Å; Y361-S381 PolarHBondContact O-OG 2.83Å; Y361-S381 VanDerWaalsContact O-OG 3.1Å; Y361-C384 HydrophobicContact CD1-CB 3.68Å; Y361-C384 HydrophobicContact CE1-CB 4.42Å; Y361-C384 HydrophobicContact CG-CB 4.36Å; Y361-K388 HydrophobicContact CE1-CD 4.47Å; Y361-K388 WeakPolarHBondContact OH-CD 3.36Å; Y361-K388 PolarHBondContact OH-NZ 2.9Å
362M97.2Very high94.6Very high8 Ų841.3 Ų41.34%0.03924%0.243CC..  trans-58.6135.2178.1-71.7-171.2-79.600112.7V356 T358 H359 V366 L367 T411V356-M362 VanDerWaalsContact C-SD 3.6Å; T358-M362 PolarHBondContact O-N 2.85Å; H359-M362 HydrophobicContact CB-CE 4.31Å; H359-M362 VanDerWaalsContact ND1-CE 3.33Å; H359-M362 WeakPolarHBondContact ND1-CE 3.32Å; M362-V366 HydrophobicContact CB-CG1 4.49Å; M362-V366 HydrophobicContact CG-CG1 4.38Å; M362-V366 HydrophobicContact SD-CG1 4.2Å; M362-L367 HydrophobicContact CB-CD2 4Å; M362-L367 HydrophobicContact CB-CG 4.04Å; M362-L367 HydrophobicContact CE-CD2 3.65Å; M362-L367 HydrophobicContact SD-CD2 3.99Å; M362-T411 WeakPolarHBondContact O-CG2 3.42Å
363A97.4Very high94.7Very high0 Ų040.9 Ų40.90%024%0.24CC..  trans-73.9156.4177.800000112.7Y361 E365 V366 L367 A377 F380Y361-A363 PolarHBondContact O-N 3.22Å; A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 WeakPolarHBondContact CB-OE2 3.45Å; A363-E365 PolarHBondContact O-N 2.95Å; A363-V366 HydrophobicContact CB-CG2 4.15Å; A363-V366 WeakPolarHBondContact O-CB 3.36Å; A363-V366 PolarHBondContact O-N 3.3Å; A363-L367 PolarHBondContact O-N 2.98Å; A363-L367 VanDerWaalsContact O-N 3.12Å; A363-A377 HydrophobicContact CB-CB 4.37Å; A363-F380 HydrophobicContact CB-CB 3.64Å; A363-F380 HydrophobicContact CB-CD1 3.92Å; A363-F380 HydrophobicContact CB-CG 3.78Å
364P97.2Very high94.8Very high7 Ų738.7 Ų38.75%0.04523%0.231CC..Hα-helixtrans-51.8-44.8176.5-29.937000113.9V366 L367 L368 F380 T411 M412 R436P364-V366 PolarHBondContact O-N 2.66Å; P364-L367 PolarHBondContact O-N 2.74Å; P364-L368 WeakPolarHBondContact O-CG 3.26Å; P364-L368 PolarHBondContact O-N 3.01Å; P364-L368 VanDerWaalsContact O-N 3.08Å; P364-F380 HydrophobicContact CG-CE2 4.17Å; P364-F380 HydrophobicContact CG-CZ 4.34Å; P364-T411 HydrophobicContact CG-CG2 4.37Å; P364-M412 HydrophobicContact CB-CE 4.32Å; P364-M412 HydrophobicContact CB-SD 3.76Å; P364-M412 WeakPolarHBondContact O-CE 3.39Å; P364-R436 HydrophobicContact CG-CB 4.22Å; P364-R436 HydrophobicContact CG-CG 4.09Å
365E97.4Very high95Very high12 Ų1237.7 Ų37.76%0.05622%0.221CC..Hα-helixtrans-68-22.1179.670.7-83.2-16500113.6A363 C371 Y373 S376 A377 V438 R441A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 WeakPolarHBondContact CB-OE2 3.45Å; A363-E365 PolarHBondContact O-N 2.95Å; E365-C371 WeakPolarHBondContact O-CB 3.49Å; E365-Y373 HydrophobicContact CG-CG 4.43Å; E365-S376 WeakPolarHBondContact OE1-CB 3.33Å; E365-S376 PolarHBondContact OE1-OG 2.97Å; E365-A377 PolarHBondContact OE1-N 2.87Å; E365-V438 HydrophobicContact CB-CG2 4.32Å; E365-V438 HydrophobicContact CG-CG2 4.06Å; E365-R441 VanDerWaalsContact CD-NH1 3.27Å; E365-R441 IonicContact OE1-CZ 2.74Å; E365-R441 IonicContact OE1-NH1 3.02Å; E365-R441 PolarHBondContact OE1-NH1 3.46Å; E365-R441 IonicContact OE1-NH2 3.66Å; E365-R441 IonicContact OE2-CZ 2.66Å; E365-R441 IonicContact OE2-NH1 2.66Å; E365-R441 PolarHBondContact OE2-NH1 3.41Å; E365-R441 VanDerWaalsContact OE2-NH1 3.08Å; E365-R441 IonicContact OE2-NH2 2.99Å; E365-R441 PolarHBondContact OE2-NH2 3.2Å
366V97.6Very high95.2Very high3 Ų336 Ų362%0.01821%0.209CC..Hα-helixtrans-78.1-41.8174.7178.20000110.5S355 M362 A363 P364 L368 Y373 A377S355-V366 VanDerWaalsContact CA-O 3.28Å; S355-V366 WeakPolarHBondContact CA-O 3.32Å; S355-V366 VanDerWaalsContact CB-O 3.3Å; S355-V366 WeakPolarHBondContact CB-O 3.29Å; M362-V366 HydrophobicContact CB-CG1 4.49Å; M362-V366 HydrophobicContact CG-CG1 4.38Å; M362-V366 HydrophobicContact SD-CG1 4.2Å; A363-V366 HydrophobicContact CB-CG2 4.15Å; A363-V366 WeakPolarHBondContact O-CB 3.36Å; A363-V366 PolarHBondContact O-N 3.3Å; P364-V366 PolarHBondContact O-N 2.66Å; V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.28Å; V366-Y373 HydrophobicContact CB-CD1 4.44Å; V366-Y373 HydrophobicContact CB-CE1 4.23Å; V366-Y373 HydrophobicContact CG1-CE1 4.13Å; V366-Y373 HydrophobicContact CG2-CD1 3.98Å; V366-Y373 HydrophobicContact CG2-CD2 3.91Å; V366-Y373 HydrophobicContact CG2-CE1 3.97Å; V366-Y373 HydrophobicContact CG2-CE2 3.91Å; V366-Y373 HydrophobicContact CG2-CG 3.96Å; V366-A377 HydrophobicContact CG2-CB 3.55Å
367L96.4Very high95.5Very high22 Ų2234.3 Ų34.312%0.11520%0.199CC..Hα-helixtrans-68.5-29.6179.5-71.2175.1000112.6M362 A363 P364 K369 D408 T411 M412M362-L367 HydrophobicContact CB-CD2 4Å; M362-L367 HydrophobicContact CB-CG 4.04Å; M362-L367 HydrophobicContact CE-CD2 3.65Å; M362-L367 HydrophobicContact SD-CD2 3.99Å; A363-L367 PolarHBondContact O-N 2.98Å; A363-L367 VanDerWaalsContact O-N 3.12Å; P364-L367 PolarHBondContact O-N 2.74Å; L367-K369 PolarHBondContact O-N 3.38Å; L367-K369 VanDerWaalsContact O-N 3.07Å; L367-D408 HydrophobicContact CD1-CB 4.1Å; L367-D408 HydrophobicContact CD2-CB 4.18Å; L367-D408 WeakPolarHBondContact CD2-OD1 3.34Å; L367-T411 HydrophobicContact CD1-CG2 3.93Å; L367-M412 HydrophobicContact CB-CE 3.28Å; L367-M412 HydrophobicContact CD1-CE 3.9Å; L367-M412 HydrophobicContact CG-CE 4.23Å
368L93.8Very high95.8Very high96 Ų9633.4 Ų33.450%0.50319%0.19SC..SBendtrans-73.295.7175.5-73.5169.2000111P364 V366 G370 C371 M412P364-L368 WeakPolarHBondContact O-CG 3.26Å; P364-L368 PolarHBondContact O-N 3.01Å; P364-L368 VanDerWaalsContact O-N 3.08Å; V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.28Å; L368-G370 PolarHBondContact O-N 3.45Å; L368-C371 HydrophobicContact CB-CB 3.86Å; L368-C371 WeakPolarHBondContact O-CB 3.5Å; L368-C371 PolarHBondContact O-N 3.39Å; L368-M412 HydrophobicContact CD2-CE 4.3Å; L368-M412 HydrophobicContact CG-CE 3.92Å
369K84.7Confident96Very high187 Ų18731.6 Ų31.681%0.81318%0.178SC*.THydrogen-bonded Turntrans-49.2126.7179.3-70.9-172.3177.9-173.20112.4L367 C371L367-K369 PolarHBondContact O-N 3.38Å; L367-K369 VanDerWaalsContact O-N 3.07Å; K369-C371 VanDerWaalsContact C-N 3.29Å
370G90Very high96.3Very high52 Ų5228.8 Ų28.854%0.53617%0.166SC..THydrogen-bonded Turntrans85-5.5178.800000114.5H353 L368 P372H353-G370 PolarHBondContact O-N 2.88Å; L368-G370 PolarHBondContact O-N 3.45Å; G370-P372 WeakPolarHBondContact O-CD 3.35Å
371C95.4Very high96.5Very high46 Ų4628.9 Ų28.931%0.31117%0.166SC..  trans-76119.9171.5-168.30000109.6H353 E365 L368 K369H353-C371 WeakPolarHBondContact CA-O 3.31Å; H353-C371 WeakPolarHBondContact CB-O 3.48Å; E365-C371 WeakPolarHBondContact O-CB 3.49Å; L368-C371 HydrophobicContact CB-CB 3.86Å; L368-C371 WeakPolarHBondContact O-CB 3.5Å; L368-C371 PolarHBondContact O-N 3.39Å; K369-C371 VanDerWaalsContact C-N 3.29Å
372P96.9Very high96.6Very high82 Ų8228 Ų2853%0.53216%0.162SC..  trans-74.4136.6175.729.8-32.5000110.8K351 P352 G370K351-P372 HydrophobicContact CB-CB 3.88Å; K351-P372 HydrophobicContact CD-CB 4.49Å; P352-P372 CarbonylContact O-C 3.55Å; P352-P372 VanDerWaalsContact O-CA 3.28Å; P352-P372 WeakPolarHBondContact O-CA 3.41Å; G370-P372 WeakPolarHBondContact O-CD 3.35Å
373Y97.8Very high96.6Very high4 Ų427.6 Ų27.62%0.01616%0.16CC..  trans-134.7171.4179.661.5-95.4000111.8R321 K351 P352 A354 E365 V366 A377R321-Y373 VanDerWaalsContact CD-OH 3.29Å; R321-Y373 WeakPolarHBondContact CD-OH 3.36Å; R321-Y373 HydrophobicContact CG-CE2 4.27Å; R321-Y373 PolarHBondContact NH1-OH 3.48Å; K351-Y373 VanDerWaalsContact CB-O 3.31Å; K351-Y373 WeakPolarHBondContact CB-O 3.4Å; P352-Y373 HydrophobicContact CB-CE1 4.37Å; P352-Y373 HydrophobicContact CB-CE2 4.11Å; P352-Y373 VanDerWaalsContact CD-O 3.31Å; P352-Y373 WeakPolarHBondContact CD-O 3.42Å; P352-Y373 HydrophobicContact CG-CD2 3.92Å; P352-Y373 HydrophobicContact CG-CE1 4.45Å; P352-Y373 HydrophobicContact CG-CE2 3.5Å; P352-Y373 VanDerWaalsContact CG-CE2 3.5Å; P352-Y373 WeakPolarHBondContact O-CD1 3.24Å; P352-Y373 PolarHBondContact O-N 3.21Å; A354-Y373 WeakPolarHBondContact O-CE1 3.5Å; A354-Y373 PolarHBondContact O-OH 3.49Å; E365-Y373 HydrophobicContact CG-CG 4.43Å; V366-Y373 HydrophobicContact CB-CD1 4.44Å; V366-Y373 HydrophobicContact CB-CE1 4.23Å; V366-Y373 HydrophobicContact CG1-CE1 4.13Å; V366-Y373 HydrophobicContact CG2-CD1 3.98Å; V366-Y373 HydrophobicContact CG2-CD2 3.91Å; V366-Y373 HydrophobicContact CG2-CE1 3.97Å; V366-Y373 HydrophobicContact CG2-CE2 3.91Å; V366-Y373 HydrophobicContact CG2-CG 3.96Å; Y373-A377 HydrophobicContact CD2-CB 4.1Å; Y373-A377 HydrophobicContact CE2-CB 4.48Å
374D97.7Very high96.6Very high36 Ų3627.6 Ų27.619%0.19316%0.16CC..  trans-140.1-145.61805529.5000110.1V319 F347 K351 S376 A377V319-D374 VanDerWaalsContact CG2-O 3.26Å; V319-D374 WeakPolarHBondContact CG2-O 3.36Å; F347-D374 HydrophobicContact CD2-CB 3.96Å; F347-D374 HydrophobicContact CE2-CB 3.99Å; F347-D374 HydrophobicContact CG-CB 4.28Å; F347-D374 HydrophobicContact CZ-CB 4.32Å; K351-D374 HydrophobicContact CD-CB 4.31Å; K351-D374 WeakPolarHBondContact CE-OD2 3.24Å; K351-D374 IonicContact NZ-OD2 3.73Å; K351-D374 PolarHBondContact NZ-OD2 3.15Å; D374-S376 PolarHBondContact O-N 3.14Å; D374-S376 WeakPolarHBondContact OD1-CB 3.07Å; D374-S376 PolarHBondContact OD1-N 2.99Å; D374-S376 PolarHBondContact OD1-OG 3.41Å; D374-A377 PolarHBondContact O-N 2.81Å
375S98.3Very high96.7Very high27 Ų2727.3 Ų27.319%0.18916%0.158CC..THydrogen-bonded Turntrans-52.9-17.917545.70000114.7H314 A377 D378H314-S375 VanDerWaalsContact CE1-CB 3.49Å; H314-S375 WeakPolarHBondContact CE1-CB 3.17Å; H314-S375 WeakPolarHBondContact ND1-CB 3.47Å; S375-A377 PolarHBondContact O-N 3.39Å; S375-A377 VanDerWaalsContact O-N 3.11Å; S375-D378 PolarHBondContact O-N 2.74Å; S375-D378 VanDerWaalsContact O-N 3.13Å
376S98.3Very high96.7Very high2 Ų226.7 Ų26.71%0.01416%0.156CC..Hα-helixtrans-52.4-32.7176.767.80000114E365 D374 D378 R441E365-S376 WeakPolarHBondContact OE1-CB 3.33Å; E365-S376 PolarHBondContact OE1-OG 2.97Å; D374-S376 PolarHBondContact O-N 3.14Å; D374-S376 WeakPolarHBondContact OD1-CB 3.07Å; D374-S376 PolarHBondContact OD1-N 2.99Å; D374-S376 PolarHBondContact OD1-OG 3.41Å; S376-D378 VanDerWaalsContact C-N 3.35Å; S376-D378 PolarHBondContact O-N 2.88Å; S376-R441 PolarHBondContact O-NH1 3.44Å
377A98.5Very high96.6Very high1 Ų126.7 Ų26.71%0.00816%0.155CC..Hα-helixtrans-65.8-36.8-178.200000112.6V319 A363 E365 V366 Y373 D374 S375 F380 S381V319-A377 HydrophobicContact CG2-CB 4.18Å; A363-A377 HydrophobicContact CB-CB 4.37Å; E365-A377 PolarHBondContact OE1-N 2.87Å; V366-A377 HydrophobicContact CG2-CB 3.55Å; Y373-A377 HydrophobicContact CD2-CB 4.1Å; Y373-A377 HydrophobicContact CE2-CB 4.48Å; D374-A377 PolarHBondContact O-N 2.81Å; S375-A377 PolarHBondContact O-N 3.39Å; S375-A377 VanDerWaalsContact O-N 3.11Å; A377-F380 PolarHBondContact O-N 2.82Å; A377-S381 PolarHBondContact O-N 2.99Å; A377-S381 VanDerWaalsContact O-N 3.07Å; A377-S381 PolarHBondContact O-OG 3.24Å
378D98.8Very high96.6Very high0 Ų027.1 Ų27.10%016%0.156CC..Hα-helixtrans-73-33-176.2-65.8-28.1000111.6L310 H314 V319 Y320 R321 S375 S376 S381 L382L310-D378 HydrophobicContact CD1-CB 4.25Å; L310-D378 HydrophobicContact CD2-CB 3.96Å; H314-D378 IonicContact CD2-OD2 3.37Å; H314-D378 IonicContact CE1-OD2 2.68Å; H314-D378 IonicContact NE2-OD2 3.7Å; H314-D378 PolarHBondContact NE2-OD2 2.86Å; V319-D378 WeakPolarHBondContact CG2-OD2 2.97Å; Y320-D378 PolarHBondContact N-OD1 3.07Å; Y320-D378 PolarHBondContact N-OD2 3.17Å; R321-D378 PolarHBondContact N-OD1 2.85Å; S375-D378 PolarHBondContact O-N 2.74Å; S375-D378 VanDerWaalsContact O-N 3.13Å; S376-D378 VanDerWaalsContact C-N 3.35Å; S376-D378 PolarHBondContact O-N 2.88Å; D378-S381 PolarHBondContact O-N 3.19Å; D378-L382 WeakPolarHBondContact O-CB 3.22Å; D378-L382 PolarHBondContact O-N 3.1Å
379W98.8Very high96.6Very high0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-66.2-39.1176-63.1126.8000112.6I307 L310 H314 L382 G383 L433 G443 V452I307-W379 HydrophobicContact CG1-CZ3 4.23Å; I307-W379 HydrophobicContact CG2-CH2 4.4Å; L310-W379 HydrophobicContact CB-CH2 4.33Å; L310-W379 HydrophobicContact CD1-CE3 4.23Å; L310-W379 HydrophobicContact CD1-CZ3 3.95Å; H314-W379 AromaticContact CE1-CE2 3.9Å; H314-W379 AromaticContact CE1-CZ2 3.92Å; H314-W379 AromaticContact ND1-CE2 3.95Å; H314-W379 AromaticContact ND1-CZ2 3.68Å; W379-L382 HydrophobicContact CE3-CD2 3.86Å; W379-L382 HydrophobicContact CZ3-CD2 3.95Å; W379-L382 WeakPolarHBondContact O-CB 3.36Å; W379-L382 PolarHBondContact O-N 3.35Å; W379-G383 PolarHBondContact O-N 3.16Å; W379-G383 VanDerWaalsContact O-N 3.1Å; W379-L433 HydrophobicContact CB-CD2 4.14Å; W379-L433 HydrophobicContact CE3-CD2 4.44Å; W379-G443 PolarHBondContact NE1-O 2.81Å; W379-G443 VanDerWaalsContact NE1-O 3.16Å; W379-V452 HydrophobicContact CD2-CG2 4.09Å; W379-V452 HydrophobicContact CE3-CG2 3.76Å; W379-V452 HydrophobicContact CH2-CG2 4.13Å; W379-V452 HydrophobicContact CZ2-CG2 4.4Å; W379-V452 HydrophobicContact CZ3-CB 4.37Å; W379-V452 HydrophobicContact CZ3-CG1 4.48Å; W379-V452 HydrophobicContact CZ3-CG2 3.79Å
380F98.6Very high97.1Very high0 Ų014.4 Ų14.40%010%0.098CC..Hα-helixtrans-65.4-45172.6-170.8-86.8000111.2A363 P364 A377 L382 G383 C384 F396 T411 L433 L434A363-F380 HydrophobicContact CB-CB 3.64Å; A363-F380 HydrophobicContact CB-CD1 3.92Å; A363-F380 HydrophobicContact CB-CG 3.78Å; P364-F380 HydrophobicContact CG-CE2 4.17Å; P364-F380 HydrophobicContact CG-CZ 4.34Å; A377-F380 PolarHBondContact O-N 2.82Å; F380-L382 PolarHBondContact O-N 2.99Å; F380-G383 PolarHBondContact O-N 2.9Å; F380-G383 VanDerWaalsContact O-N 3.08Å; F380-C384 VanDerWaalsContact CE1-SG 3.54Å; F380-C384 PolarHBondContact O-N 3.49Å; F380-F396 HydrophobicContact CE1-CD2 4.45Å; F380-F396 AromaticContact CE1-CE2 3.75Å; F380-F396 HydrophobicContact CE1-CE2 3.75Å; F380-F396 HydrophobicContact CE2-CE2 4.42Å; F380-F396 HydrophobicContact CZ-CD2 4.34Å; F380-F396 AromaticContact CZ-CE2 3.38Å; F380-F396 HydrophobicContact CZ-CE2 3.38Å; F380-F396 AromaticContact CZ-CZ 3.81Å; F380-F396 HydrophobicContact CZ-CZ 3.81Å; F380-T411 HydrophobicContact CE1-CG2 3.81Å; F380-T411 HydrophobicContact CZ-CG2 3.7Å; F380-L433 WeakPolarHBondContact CA-O 3.44Å; F380-L434 HydrophobicContact CD1-CD2 4.31Å; F380-L434 HydrophobicContact CD2-CD2 4.09Å; F380-L434 HydrophobicContact CE1-CD2 4.19Å; F380-L434 HydrophobicContact CE2-CB 4.32Å; F380-L434 HydrophobicContact CE2-CD2 3.95Å; F380-L434 HydrophobicContact CG-CD2 4.28Å; F380-L434 HydrophobicContact CZ-CD2 4.01Å; F380-L434 WeakPolarHBondContact O-CD2 3.12Å
381S98.6Very high97.2Very high3 Ų315.8 Ų15.82%0.0219%0.087CC..Hα-helixtrans-60.6-35.8177.6-52.30000111.5Y361 A377 D378 C384 M385Y361-S381 WeakPolarHBondContact O-CA 3.46Å; Y361-S381 PolarHBondContact O-OG 2.83Å; Y361-S381 VanDerWaalsContact O-OG 3.1Å; A377-S381 PolarHBondContact O-N 2.99Å; A377-S381 VanDerWaalsContact O-N 3.07Å; A377-S381 PolarHBondContact O-OG 3.24Å; D378-S381 PolarHBondContact O-N 3.19Å; S381-C384 WeakPolarHBondContact O-CB 3.3Å; S381-C384 PolarHBondContact O-N 3.35Å; S381-M385 WeakPolarHBondContact O-CB 3.24Å; S381-M385 PolarHBondContact O-N 3.34Å
382L98.8Very high97Very high0 Ų015.4 Ų15.40%09%0.09CC..Hα-helixtrans-61.1-50.7172.7179.265000110.1V306 I307 L323 D378 W379 F380 C384 M385 L386 L433V306-L382 HydrophobicContact CG1-CD1 3.94Å; I307-L382 HydrophobicContact CD1-CD2 4.39Å; I307-L382 HydrophobicContact CG1-CD2 3.79Å; L323-L382 HydrophobicContact CD2-CB 3.84Å; L323-L382 HydrophobicContact CD2-CD1 4.12Å; D378-L382 WeakPolarHBondContact O-CB 3.22Å; D378-L382 PolarHBondContact O-N 3.1Å; W379-L382 HydrophobicContact CE3-CD2 3.86Å; W379-L382 HydrophobicContact CZ3-CD2 3.95Å; W379-L382 WeakPolarHBondContact O-CB 3.36Å; W379-L382 PolarHBondContact O-N 3.35Å; F380-L382 PolarHBondContact O-N 2.99Å; L382-C384 VanDerWaalsContact C-N 3.27Å; L382-C384 PolarHBondContact O-N 2.85Å; L382-M385 HydrophobicContact CD1-CE 3.86Å; L382-M385 WeakPolarHBondContact O-CB 3.32Å; L382-M385 PolarHBondContact O-N 3.36Å; L382-M385 VanDerWaalsContact O-N 3.07Å; L382-L386 HydrophobicContact CD1-CD1 4.36Å; L382-L386 HydrophobicContact CD1-CD2 3.99Å; L382-L386 HydrophobicContact CD1-CG 4.05Å; L382-L386 HydrophobicContact CG-CD1 4.21Å; L382-L386 HydrophobicContact CG-CG 4.21Å; L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.29Å; L382-L386 PolarHBondContact O-N 2.7Å; L382-L433 HydrophobicContact CD2-CD1 4.24Å; L382-L433 HydrophobicContact CD2-CD2 4.45Å; L382-L433 HydrophobicContact CG-CD1 4.27Å
383G98.3Very high96.7Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-52.9-43.9175.100000112.8W379 F380 L386 Y387W379-G383 PolarHBondContact O-N 3.16Å; W379-G383 VanDerWaalsContact O-N 3.1Å; F380-G383 PolarHBondContact O-N 2.9Å; F380-G383 VanDerWaalsContact O-N 3.08Å; G383-L386 PolarHBondContact O-N 3.34Å; G383-Y387 WeakPolarHBondContact O-CB 3.46Å; G383-Y387 PolarHBondContact O-N 2.67Å
384C97.7Very high96.4Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-63.3-43.5176.7-70.60000112.3Y361 F380 S381 L382 K388 P395 L434Y361-C384 HydrophobicContact CD1-CB 3.68Å; Y361-C384 HydrophobicContact CE1-CB 4.42Å; Y361-C384 HydrophobicContact CG-CB 4.36Å; F380-C384 VanDerWaalsContact CE1-SG 3.54Å; F380-C384 PolarHBondContact O-N 3.49Å; S381-C384 WeakPolarHBondContact O-CB 3.3Å; S381-C384 PolarHBondContact O-N 3.35Å; L382-C384 VanDerWaalsContact C-N 3.27Å; L382-C384 PolarHBondContact O-N 2.85Å; C384-K388 PolarHBondContact O-N 2.81Å; C384-P395 HydrophobicContact CB-CG 4.26Å; C384-L434 VanDerWaalsContact SG-CD2 3.59Å
385M97.8Very high96.1Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-64.2-48.1178-173.7-171.981.500111.5V306 L323 P325 I328 S381 L382 Y387 K388 L389V306-M385 HydrophobicContact CB-CE 4.47Å; V306-M385 HydrophobicContact CG1-CE 4.24Å; V306-M385 HydrophobicContact CG2-CE 4.17Å; L323-M385 HydrophobicContact CD1-SD 4.34Å; L323-M385 HydrophobicContact CG-SD 4.04Å; P325-M385 HydrophobicContact CG-CG 3.92Å; I328-M385 HydrophobicContact CD1-SD 4.33Å; I328-M385 HydrophobicContact CG1-SD 3.73Å; S381-M385 WeakPolarHBondContact O-CB 3.24Å; S381-M385 PolarHBondContact O-N 3.34Å; L382-M385 HydrophobicContact CD1-CE 3.86Å; L382-M385 WeakPolarHBondContact O-CB 3.32Å; L382-M385 PolarHBondContact O-N 3.36Å; L382-M385 VanDerWaalsContact O-N 3.07Å; M385-Y387 VanDerWaalsContact C-N 3.35Å; M385-Y387 PolarHBondContact O-N 3.34Å; M385-K388 WeakPolarHBondContact O-CB 3.34Å; M385-K388 PolarHBondContact O-N 2.95Å; M385-K388 VanDerWaalsContact O-N 3.11Å; M385-L389 WeakPolarHBondContact O-CG 3.45Å; M385-L389 PolarHBondContact O-N 3.39Å
386L97.7Very high95.7Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-61.4-44179.5-60.3-171.2000111.1V299 A303 L382 G383 K388 L389 L390 L429 L430 L433V299-L386 HydrophobicContact CG1-CB 4.16Å; V299-L386 HydrophobicContact CG1-CD2 3.83Å; V299-L386 HydrophobicContact CG1-CG 4.4Å; A303-L386 HydrophobicContact CB-CD1 4.03Å; A303-L386 HydrophobicContact CB-CD2 3.67Å; L382-L386 HydrophobicContact CD1-CD1 4.36Å; L382-L386 HydrophobicContact CD1-CD2 3.99Å; L382-L386 HydrophobicContact CD1-CG 4.05Å; L382-L386 HydrophobicContact CG-CD1 4.21Å; L382-L386 HydrophobicContact CG-CG 4.21Å; L382-L386 VanDerWaalsContact O-CG 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.29Å; L382-L386 PolarHBondContact O-N 2.7Å; G383-L386 PolarHBondContact O-N 3.34Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.15Å; L386-L389 PolarHBondContact O-N 2.92Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 3.09Å; L386-L390 VanDerWaalsContact O-N 3.14Å; L386-L429 HydrophobicContact CD1-CD2 4.15Å; L386-L430 HydrophobicContact CB-CD2 4.13Å; L386-L433 HydrophobicContact CD1-CD1 4.14Å
387Y96.3Very high94.8Very high2 Ų215.8 Ų15.81%0.0088%0.079CC..Hα-helixtrans-57.1-44.5173.9-172.9-80.3000111.4G383 M385 L389 L390 R391 H393 P395 L416 D417 L430G383-Y387 WeakPolarHBondContact O-CB 3.46Å; G383-Y387 PolarHBondContact O-N 2.67Å; M385-Y387 VanDerWaalsContact C-N 3.35Å; M385-Y387 PolarHBondContact O-N 3.34Å; Y387-L389 VanDerWaalsContact C-N 3.35Å; Y387-L389 PolarHBondContact O-N 3.13Å; Y387-L390 PolarHBondContact O-N 3.4Å; Y387-L390 VanDerWaalsContact O-N 3.17Å; Y387-R391 HydrophobicContact CD1-CB 4.02Å; Y387-R391 HydrophobicContact CD1-CG 4Å; Y387-R391 HydrophobicContact CE1-CB 3.7Å; Y387-R391 HydrophobicContact CE1-CG 3.61Å; Y387-R391 HydrophobicContact CE2-CG 4.22Å; Y387-R391 HydrophobicContact CG-CG 4.45Å; Y387-R391 VanDerWaalsContact O-CB 3.32Å; Y387-R391 WeakPolarHBondContact O-CB 3.47Å; Y387-R391 WeakPolarHBondContact O-CG 3.43Å; Y387-R391 PolarHBondContact O-N 3.35Å; Y387-H393 WeakPolarHBondContact CD1-O 3.13Å; Y387-H393 AromaticContact CE1-CE1 3.74Å; Y387-P395 HydrophobicContact CD1-CB 3.76Å; Y387-P395 HydrophobicContact CD1-CG 4.26Å; Y387-P395 HydrophobicContact CD2-CB 4.08Å; Y387-P395 HydrophobicContact CE1-CB 4.03Å; Y387-P395 HydrophobicContact CE2-CB 4.33Å; Y387-P395 HydrophobicContact CG-CB 3.8Å; Y387-P395 HydrophobicContact CG-CG 4.22Å; Y387-L416 HydrophobicContact CD2-CD1 3.81Å; Y387-L416 HydrophobicContact CD2-CG 4.49Å; Y387-L416 HydrophobicContact CE2-CD1 3.73Å; Y387-L416 HydrophobicContact CE2-CG 4.23Å; Y387-D417 VanDerWaalsContact CE2-O 3.31Å; Y387-D417 WeakPolarHBondContact CE2-O 3.38Å; Y387-D417 PolarHBondContact OH-O 3.11Å; Y387-L430 HydrophobicContact CD2-CD1 4.16Å
388K95Very high93.6Very high31 Ų3120 Ų2014%0.13510%0.098CC..Hα-helixtrans-63.4-38.4178.2-178.2171.3177.4-176.70112.8L288 P325 Y361 C384 M385 L386 L390 R391 G392 H393L288-K388 HydrophobicContact CD2-CD 4.48Å; L288-K388 HydrophobicContact CD2-CG 3.92Å; P325-K388 HydrophobicContact CG-CD 4.05Å; P325-K388 HydrophobicContact CG-CG 4.44Å; Y361-K388 HydrophobicContact CE1-CD 4.47Å; Y361-K388 WeakPolarHBondContact OH-CD 3.36Å; Y361-K388 PolarHBondContact OH-NZ 2.9Å; C384-K388 PolarHBondContact O-N 2.81Å; M385-K388 WeakPolarHBondContact O-CB 3.34Å; M385-K388 PolarHBondContact O-N 2.95Å; M385-K388 VanDerWaalsContact O-N 3.11Å; L386-K388 VanDerWaalsContact C-N 3.29Å; L386-K388 PolarHBondContact O-N 3.15Å; K388-L390 VanDerWaalsContact C-N 3.27Å; K388-L390 PolarHBondContact O-N 3.47Å; K388-R391 PolarHBondContact O-N 2.96Å; K388-G392 VanDerWaalsContact O-CA 3.27Å; K388-G392 WeakPolarHBondContact O-CA 3.22Å; K388-G392 PolarHBondContact O-N 3.31Å; K388-H393 VanDerWaalsContact CA-O 3.28Å; K388-H393 WeakPolarHBondContact CA-O 3.44Å
389L95.6Very high92.5Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-63.8-34.8175.8-64.9175.5000111.8L284 F294 V299 P325 M385 L386 Y387L284-L389 HydrophobicContact CB-CD2 4.43Å; L284-L389 HydrophobicContact CD1-CD1 4.26Å; L284-L389 HydrophobicContact CD1-CD2 4.41Å; F294-L389 HydrophobicContact CD2-CB 4.03Å; F294-L389 HydrophobicContact CD2-CD2 3.8Å; F294-L389 HydrophobicContact CD2-CG 4.44Å; F294-L389 HydrophobicContact CE2-CD2 3.82Å; F294-L389 PolarHBondContact N-O 2.92Å; V299-L389 HydrophobicContact CG2-CB 3.79Å; P325-L389 HydrophobicContact CB-CD2 4.39Å; P325-L389 HydrophobicContact CG-CD2 4.26Å; M385-L389 WeakPolarHBondContact O-CG 3.45Å; M385-L389 PolarHBondContact O-N 3.39Å; L386-L389 PolarHBondContact O-N 2.92Å; Y387-L389 VanDerWaalsContact C-N 3.35Å; Y387-L389 PolarHBondContact O-N 3.13Å
390L94.6Very high91.3Very high17 Ų1737.3 Ų37.39%0.08918%0.176CC..Hα-helixtrans-79-27.1178.5-64.7164.3000113.9I293 E296 V299 L386 Y387 K388 M422 M426 L430I293-L390 WeakPolarHBondContact CD1-O 2.96Å; E296-L390 HydrophobicContact CG-CD2 3.96Å; V299-L390 HydrophobicContact CB-CD2 4.24Å; V299-L390 HydrophobicContact CG2-CD2 3.7Å; V299-L390 HydrophobicContact CG2-CG 4Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 3.09Å; L386-L390 VanDerWaalsContact O-N 3.14Å; Y387-L390 PolarHBondContact O-N 3.4Å; Y387-L390 VanDerWaalsContact O-N 3.17Å; K388-L390 VanDerWaalsContact C-N 3.27Å; K388-L390 PolarHBondContact O-N 3.47Å; L390-M422 HydrophobicContact CD1-CE 4.22Å; L390-M426 HydrophobicContact CD1-CE 3.77Å; L390-M426 HydrophobicContact CD1-CG 3.83Å; L390-M426 HydrophobicContact CD1-SD 3.68Å; L390-M426 HydrophobicContact CD2-CE 4.21Å; L390-L430 HydrophobicContact CD1-CD1 4.17Å
391R92.2Very high90.5Very high80 Ų8038.6 Ų38.630%0.30218%0.184SC..Hα-helixtrans-122.6-12.6-166.7-64.3-67.9-63.8-148.9-17.2114.7Y387 K388 H393 D417Y387-R391 HydrophobicContact CD1-CB 4.02Å; Y387-R391 HydrophobicContact CD1-CG 4Å; Y387-R391 HydrophobicContact CE1-CB 3.7Å; Y387-R391 HydrophobicContact CE1-CG 3.61Å; Y387-R391 HydrophobicContact CE2-CG 4.22Å; Y387-R391 HydrophobicContact CG-CG 4.45Å; Y387-R391 VanDerWaalsContact O-CB 3.32Å; Y387-R391 WeakPolarHBondContact O-CB 3.47Å; Y387-R391 WeakPolarHBondContact O-CG 3.43Å; Y387-R391 PolarHBondContact O-N 3.35Å; K388-R391 PolarHBondContact O-N 2.96Å; R391-H393 PolarHBondContact O-CD2 3.11Å; R391-H393 VanDerWaalsContact O-CD2 3.25Å; R391-H393 PolarHBondContact O-N 3.23Å; R391-D417 IonicContact NH2-OD2 3.94Å
392G91.1Very high89.9Confident38 Ų3847.2 Ų47.239%0.39222%0.221SC..SBendtrans79.5-9.1-175.900000114.3K388K388-G392 VanDerWaalsContact O-CA 3.27Å; K388-G392 WeakPolarHBondContact O-CA 3.22Å; K388-G392 PolarHBondContact O-N 3.31Å
393H90.6Very high89.5Confident73 Ų7350.5 Ų50.534%0.33824%0.238SC..SBendtrans-138.2160-179.365.283000112.5Y387 K388 R391Y387-H393 WeakPolarHBondContact CD1-O 3.13Å; Y387-H393 AromaticContact CE1-CE1 3.74Å; K388-H393 VanDerWaalsContact CA-O 3.28Å; K388-H393 WeakPolarHBondContact CA-O 3.44Å; R391-H393 PolarHBondContact O-CD2 3.11Å; R391-H393 VanDerWaalsContact O-CD2 3.25Å; R391-H393 PolarHBondContact O-N 3.23Å
394S90.8Very high89.2Confident7 Ų753.4 Ų53.45%0.04925%0.251CS..  trans-66.3146.9175.2162.30000110.9G360 F396 R397G360-S394 PolarHBondContact O-OG 2.98Å; S394-F396 PolarHBondContact O-N 3.25Å; S394-F396 PolarHBondContact OG-N 2.96Å; S394-R397 PolarHBondContact O-N 2.91Å
395P92.7Very high88.9Confident4 Ų459.4 Ų59.43%0.02628%0.279CS..THydrogen-bonded Turntrans-62.2-26.6-179.423-33.5000113.7C384 Y387 M414 L416 L434C384-P395 HydrophobicContact CB-CG 4.26Å; Y387-P395 HydrophobicContact CD1-CB 3.76Å; Y387-P395 HydrophobicContact CD1-CG 4.26Å; Y387-P395 HydrophobicContact CD2-CB 4.08Å; Y387-P395 HydrophobicContact CE1-CB 4.03Å; Y387-P395 HydrophobicContact CE2-CB 4.33Å; Y387-P395 HydrophobicContact CG-CB 3.8Å; Y387-P395 HydrophobicContact CG-CG 4.22Å; P395-M414 VanDerWaalsContact O-CE 3.29Å; P395-M414 WeakPolarHBondContact O-CE 3.2Å; P395-L416 HydrophobicContact CB-CD1 3.5Å; P395-L434 HydrophobicContact CB-CD1 4.39Å; P395-L434 HydrophobicContact CG-CD1 4.24Å
396F88.9Confident88.7Confident6 Ų662.8 Ų62.83%0.02630%0.295CS..THydrogen-bonded Turntrans-111.733.3-176-48-64000111.9F380 S394 M410 T411 L434F380-F396 HydrophobicContact CE1-CD2 4.45Å; F380-F396 AromaticContact CE1-CE2 3.75Å; F380-F396 HydrophobicContact CE1-CE2 3.75Å; F380-F396 HydrophobicContact CE2-CE2 4.42Å; F380-F396 HydrophobicContact CZ-CD2 4.34Å; F380-F396 AromaticContact CZ-CE2 3.38Å; F380-F396 HydrophobicContact CZ-CE2 3.38Å; F380-F396 AromaticContact CZ-CZ 3.81Å; F380-F396 HydrophobicContact CZ-CZ 3.81Å; S394-F396 PolarHBondContact O-N 3.25Å; S394-F396 PolarHBondContact OG-N 2.96Å; F396-M410 HydrophobicContact CB-CB 3.97Å; F396-M410 WeakPolarHBondContact O-CE 3.34Å; F396-T411 HydrophobicContact CD2-CG2 4.15Å; F396-T411 HydrophobicContact CE2-CG2 4.33Å; F396-L434 HydrophobicContact CE2-CD2 4.21Å; F396-L434 HydrophobicContact CZ-CD2 4.38Å
397R80.3Confident88.4Confident70 Ų7063.2 Ų63.226%0.26430%0.297SS..  trans-133.285.9-178.5-166.4178.6-174.6-151.6-1.7111.5S394 K400 T401 I407S394-R397 PolarHBondContact O-N 2.91Å; R397-K400 PolarHBondContact NH2-O 2.98Å; R397-T401 HydrophobicContact CG-CG2 4.1Å; R397-T401 PolarHBondContact NE-O 3.4Å; R397-T401 PolarHBondContact NH2-O 3.18Å; R397-I407 HydrophobicContact CG-CD1 4.28Å; R397-I407 HydrophobicContact CG-CG1 4.38Å
398H72.5Confident88.3Confident89 Ų8964.4 Ų64.441%0.41230%0.303SS..G310 helixtrans-68.8143.1173.5-83.3169.2000113K400 T401 M410H398-K400 PolarHBondContact O-N 3.35Å; H398-T401 WeakPolarHBondContact O-CB 3.42Å; H398-T401 WeakPolarHBondContact O-CG2 3.45Å; H398-T401 PolarHBondContact O-N 3.34Å; H398-M410 HydrophobicContact CB-SD 4.26Å
399H75.1Confident88.3Confident188 Ų18869.6 Ų69.687%0.8732%0.322SS*.G310 helixtrans45.635.7169.7-59.7-66.8000115.5T401H399-T401 PolarHBondContact O-N 2.95Å
400K74.6Confident88.2Confident176 Ų17670.3 Ų70.377%0.76533%0.326SS*.G310 helixtrans57.626.2-178.4-53.7177.2179.3177.40113.6R397 H398 K402R397-K400 PolarHBondContact NH2-O 2.98Å; H398-K400 PolarHBondContact O-N 3.35Å; K400-K402 PolarHBondContact O-N 3.43Å
401T82.4Confident88.1Confident26 Ų2669.6 Ų69.616%0.1632%0.322CS..  trans-50.3139.4177.6-175.80000111.3R397 H398 H399 D403 E406 I407 M410R397-T401 HydrophobicContact CG-CG2 4.1Å; R397-T401 PolarHBondContact NE-O 3.4Å; R397-T401 PolarHBondContact NH2-O 3.18Å; H398-T401 WeakPolarHBondContact O-CB 3.42Å; H398-T401 WeakPolarHBondContact O-CG2 3.45Å; H398-T401 PolarHBondContact O-N 3.34Å; H399-T401 PolarHBondContact O-N 2.95Å; T401-D403 PolarHBondContact OG1-N 2.89Å; T401-E406 WeakPolarHBondContact CB-OE2 3.46Å; T401-E406 PolarHBondContact OG1-OE2 3.36Å; T401-I407 HydrophobicContact CG2-CD1 4.45Å; T401-I407 HydrophobicContact CG2-CG1 3.97Å; T401-M410 HydrophobicContact CG2-CE 3.9Å
402K84.3Confident88.1Confident184 Ų18468.5 Ų68.580%0.832%0.321SS*.  trans-103.4-1.1174.3-66.1-171.9179.8-173.90112K400 K404K400-K402 PolarHBondContact O-N 3.43Å; K402-K404 PolarHBondContact O-N 2.82Å; K402-K404 VanDerWaalsContact O-N 3.11Å
403D91.6Very high88.1Confident69 Ų6971.6 Ų71.637%0.36933%0.332SS..  trans-73.4104.7177.8-177.4-0.6000110.2T401 H405 E406 I407T401-D403 PolarHBondContact OG1-N 2.89Å; D403-H405 PolarHBondContact O-N 3.4Å; D403-H405 WeakPolarHBondContact OD1-CB 3.42Å; D403-H405 PolarHBondContact OD1-N 3.45Å; D403-E406 HydrophobicContact CB-CB 3.84Å; D403-E406 WeakPolarHBondContact O-CB 3.41Å; D403-E406 PolarHBondContact O-N 2.93Å; D403-E406 VanDerWaalsContact O-N 3.11Å; D403-I407 WeakPolarHBondContact O-CG1 3.24Å; D403-I407 PolarHBondContact O-N 3.49Å; D403-I407 VanDerWaalsContact O-N 3.1Å
404K91.5Very high88Confident61 Ų6169.9 Ų69.927%0.26533%0.325SS..Hα-helixtrans-53.9-40.7178-67.3173.9174.5173.30111.5K402 E406 I407 D408 E816 D818K402-K404 PolarHBondContact O-N 2.82Å; K402-K404 VanDerWaalsContact O-N 3.11Å; K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.33Å; K404-I407 PolarHBondContact O-N 3.46Å; K404-D408 PolarHBondContact O-N 3.34Å; K404-E816 IonicContact NZ-OE1 3.67Å; K404-E816 PolarHBondContact NZ-OE1 2.93Å; K404-D818 IonicContact NZ-OD2 3.84Å; K404-D818 PolarHBondContact NZ-OD2 3.22Å
405H92.1Very high87.8Confident127 Ų12774 Ų7459%0.58835%0.353SS*.Hα-helixtrans-70.8-31-179.4-65.6-49.2000113.1D403 R409D403-H405 PolarHBondContact O-N 3.4Å; D403-H405 WeakPolarHBondContact OD1-CB 3.42Å; D403-H405 PolarHBondContact OD1-N 3.45Å; H405-R409 WeakPolarHBondContact O-CB 3.18Å; H405-R409 WeakPolarHBondContact O-CG 3.37Å; H405-R409 PolarHBondContact O-N 2.94Å
406E92.4Very high87.5Confident71 Ų7175.5 Ų75.533%0.33236%0.361SS..Hα-helixtrans-68.5-44.4174.2-161.1-169.7177.300110.9T401 D403 K404 D408 R409 M410T401-E406 WeakPolarHBondContact CB-OE2 3.46Å; T401-E406 PolarHBondContact OG1-OE2 3.36Å; D403-E406 HydrophobicContact CB-CB 3.84Å; D403-E406 WeakPolarHBondContact O-CB 3.41Å; D403-E406 PolarHBondContact O-N 2.93Å; D403-E406 VanDerWaalsContact O-N 3.11Å; K404-E406 VanDerWaalsContact C-N 3.34Å; K404-E406 PolarHBondContact O-N 3.33Å; E406-D408 PolarHBondContact O-N 2.85Å; E406-R409 PolarHBondContact O-N 3.23Å; E406-M410 HydrophobicContact CG-CE 4.04Å; E406-M410 WeakPolarHBondContact O-CG 3.46Å; E406-M410 PolarHBondContact O-N 3.36Å
407I92.9Very high87.4Confident8 Ų879.2 Ų79.24%0.04138%0.381CS..Hα-helixtrans-59.8-46.1176.1-63.4166.4000111H359 G360 R397 T401 D403 K404 R409 M410 T411H359-I407 HydrophobicContact CB-CG2 4.44Å; G360-I407 VanDerWaalsContact CA-CG2 3.49Å; R397-I407 HydrophobicContact CG-CD1 4.28Å; R397-I407 HydrophobicContact CG-CG1 4.38Å; T401-I407 HydrophobicContact CG2-CD1 4.45Å; T401-I407 HydrophobicContact CG2-CG1 3.97Å; D403-I407 WeakPolarHBondContact O-CG1 3.24Å; D403-I407 PolarHBondContact O-N 3.49Å; D403-I407 VanDerWaalsContact O-N 3.1Å; K404-I407 PolarHBondContact O-N 3.46Å; I407-R409 PolarHBondContact O-N 2.94Å; I407-M410 HydrophobicContact CG1-CE 4.36Å; I407-M410 PolarHBondContact O-N 2.96Å; I407-T411 PolarHBondContact O-N 3.33Å; I407-T411 PolarHBondContact O-OG1 2.9Å
408D94Very high87.6Confident28 Ų2877.3 Ų77.315%0.1538%0.376CS..Hα-helixtrans-64.2-41.5178.5-64.6-11.9000111.3H359 L367 K404 E406 T411 M412H359-D408 IonicContact CE1-OD1 3.25Å; H359-D408 IonicContact CE1-OD2 2.7Å; H359-D408 PolarHBondContact CE1-OD2 3.1Å; H359-D408 VanDerWaalsContact CE1-OD2 3.25Å; H359-D408 IonicContact CG-OD1 3.28Å; H359-D408 IonicContact ND1-OD1 3.57Å; H359-D408 PolarHBondContact ND1-OD1 3.22Å; H359-D408 IonicContact ND1-OD2 3.93Å; H359-D408 PolarHBondContact ND1-OD2 3.32Å; L367-D408 HydrophobicContact CD1-CB 4.1Å; L367-D408 HydrophobicContact CD2-CB 4.18Å; L367-D408 WeakPolarHBondContact CD2-OD1 3.34Å; K404-D408 PolarHBondContact O-N 3.34Å; E406-D408 PolarHBondContact O-N 2.85Å; D408-T411 WeakPolarHBondContact O-CB 3.29Å; D408-T411 PolarHBondContact O-N 3.4Å; D408-M412 WeakPolarHBondContact O-CG 3.21Å; D408-M412 PolarHBondContact O-N 3.23Å
409R93.8Very high88Confident140 Ų14074.5 Ų74.553%0.52837%0.366SS..Hα-helixtrans-61.2-45.6173.8-82.4-169.4-59.7-89.1-2.1111.7H405 E406 I407 T411 M412 T413H405-R409 WeakPolarHBondContact O-CB 3.18Å; H405-R409 WeakPolarHBondContact O-CG 3.37Å; H405-R409 PolarHBondContact O-N 2.94Å; E406-R409 PolarHBondContact O-N 3.23Å; I407-R409 PolarHBondContact O-N 2.94Å; R409-T411 VanDerWaalsContact C-N 3.31Å; R409-T411 PolarHBondContact O-N 3.45Å; R409-M412 WeakPolarHBondContact O-CB 3.4Å; R409-M412 PolarHBondContact O-N 2.81Å; R409-M412 VanDerWaalsContact O-N 3.08Å; R409-T413 PolarHBondContact O-N 3.43Å; R409-T413 PolarHBondContact O-OG1 2.76Å
410M93.1Very high88.3Confident15 Ų1573.3 Ų73.37%0.07437%0.366CS..Hα-helixtrans-60.7-41.6179.1-76-172-81.900111.5F396 H398 T401 E406 I407 M412 T413 M414F396-M410 HydrophobicContact CB-CB 3.97Å; F396-M410 WeakPolarHBondContact O-CE 3.34Å; H398-M410 HydrophobicContact CB-SD 4.26Å; T401-M410 HydrophobicContact CG2-CE 3.9Å; E406-M410 HydrophobicContact CG-CE 4.04Å; E406-M410 WeakPolarHBondContact O-CG 3.46Å; E406-M410 PolarHBondContact O-N 3.36Å; I407-M410 HydrophobicContact CG1-CE 4.36Å; I407-M410 PolarHBondContact O-N 2.96Å; M410-M412 PolarHBondContact O-N 2.77Å; M410-T413 PolarHBondContact O-N 2.89Å; M410-M414 HydrophobicContact CB-CB 4.24Å; M410-M414 HydrophobicContact CB-SD 4.44Å; M410-M414 HydrophobicContact CG-SD 4.14Å; M410-M414 WeakPolarHBondContact O-CB 3.2Å; M410-M414 PolarHBondContact O-N 3.21Å; M410-M414 HydrophobicContact SD-SD 3.95Å
411T93.7Very high88.9Confident1 Ų168.6 Ų68.61%0.00637%0.368CS..Hα-helixtrans-57.2-34.2175.1-54.80000112M362 P364 L367 F380 F396 I407 D408 R409M362-T411 WeakPolarHBondContact O-CG2 3.42Å; P364-T411 HydrophobicContact CG-CG2 4.37Å; L367-T411 HydrophobicContact CD1-CG2 3.93Å; F380-T411 HydrophobicContact CE1-CG2 3.81Å; F380-T411 HydrophobicContact CZ-CG2 3.7Å; F396-T411 HydrophobicContact CD2-CG2 4.15Å; F396-T411 HydrophobicContact CE2-CG2 4.33Å; I407-T411 PolarHBondContact O-N 3.33Å; I407-T411 PolarHBondContact O-OG1 2.9Å; D408-T411 WeakPolarHBondContact O-CB 3.29Å; D408-T411 PolarHBondContact O-N 3.4Å; R409-T411 VanDerWaalsContact C-N 3.31Å; R409-T411 PolarHBondContact O-N 3.45Å
412M92Very high89.4Confident57 Ų5768.2 Ų68.228%0.28136%0.364SS..Hα-helixtrans-81-36.8178.4-63.9-66.4-176.700113.6P364 L367 L368 D408 R409 M410 R436P364-M412 HydrophobicContact CB-CE 4.32Å; P364-M412 HydrophobicContact CB-SD 3.76Å; P364-M412 WeakPolarHBondContact O-CE 3.39Å; L367-M412 HydrophobicContact CB-CE 3.28Å; L367-M412 HydrophobicContact CD1-CE 3.9Å; L367-M412 HydrophobicContact CG-CE 4.23Å; L368-M412 HydrophobicContact CD2-CE 4.3Å; L368-M412 HydrophobicContact CG-CE 3.92Å; D408-M412 WeakPolarHBondContact O-CG 3.21Å; D408-M412 PolarHBondContact O-N 3.23Å; R409-M412 WeakPolarHBondContact O-CB 3.4Å; R409-M412 PolarHBondContact O-N 2.81Å; R409-M412 VanDerWaalsContact O-N 3.08Å; M410-M412 PolarHBondContact O-N 2.77Å; M412-R436 WeakPolarHBondContact O-CD 3.47Å; M412-R436 PolarHBondContact O-NH1 3.05Å
413T92.1Very high90Very high103 Ų10361 Ų6163%0.63234%0.337SS*.Hα-helixtrans-112.9-34.2-164.361.80000114.1R409 M410 R436R409-T413 PolarHBondContact O-N 3.43Å; R409-T413 PolarHBondContact O-OG1 2.76Å; M410-T413 PolarHBondContact O-N 2.89Å; T413-R436 PolarHBondContact O-NH1 2.84Å
414M88.2Confident90.2Very high38 Ų3862.4 Ų62.419%0.18735%0.351CS..PPolyproline II helixtrans-77.9140.2-169.6-156.9170.389.900111.8P395 M410P395-M414 VanDerWaalsContact O-CE 3.29Å; P395-M414 WeakPolarHBondContact O-CE 3.2Å; M410-M414 HydrophobicContact CB-CB 4.24Å; M410-M414 HydrophobicContact CB-SD 4.44Å; M410-M414 HydrophobicContact CG-SD 4.14Å; M410-M414 WeakPolarHBondContact O-CB 3.2Å; M410-M414 PolarHBondContact O-N 3.21Å; M410-M414 HydrophobicContact SD-SD 3.95Å
415S85.8Confident90.5Very high92 Ų9263.9 Ų63.964%0.64336%0.359SS*.PPolyproline II helixtrans-78.4148.3166.549.60000110.3D417S415-D417 PolarHBondContact O-N 2.96Å
416L86.7Confident90.8Very high36 Ų3657.9 Ų57.919%0.18833%0.331CS..PPolyproline II helixtrans-63.2130.2178-16965.4000110.9Y387 P395 I418 L430 L434Y387-L416 HydrophobicContact CD2-CD1 3.81Å; Y387-L416 HydrophobicContact CD2-CG 4.49Å; Y387-L416 HydrophobicContact CE2-CD1 3.73Å; Y387-L416 HydrophobicContact CE2-CG 4.23Å; P395-L416 HydrophobicContact CB-CD1 3.5Å; L416-I418 HydrophobicContact CB-CG1 4.23Å; L416-I418 HydrophobicContact CD2-CD1 3.86Å; L416-I418 HydrophobicContact CD2-CG1 3.83Å; L416-I418 HydrophobicContact CG-CD1 4.33Å; L416-I418 HydrophobicContact CG-CG1 3.85Å; L416-L430 HydrophobicContact CD2-CB 3.9Å; L416-L434 HydrophobicContact CD1-CD1 3.61Å; L416-L434 HydrophobicContact CD2-CD1 3.94Å; L416-L434 HydrophobicContact CG-CD1 4.41Å
417D85.8Confident91Very high84 Ų8458.6 Ų58.645%0.44933%0.331SS..  trans-83.1112.8169177.335.3000109.7Y387 R391 S415Y387-D417 VanDerWaalsContact CE2-O 3.31Å; Y387-D417 WeakPolarHBondContact CE2-O 3.38Å; Y387-D417 PolarHBondContact OH-O 3.11Å; R391-D417 IonicContact NH2-OD2 3.94Å; S415-D417 PolarHBondContact O-N 2.96Å
418I84.2Confident91.2Very high30 Ų3060.8 Ų60.815%0.15435%0.347CS..  trans-113.4114.2-174.8-53-174.3000109.1L416 M422 R427 E431L416-I418 HydrophobicContact CB-CG1 4.23Å; L416-I418 HydrophobicContact CD2-CD1 3.86Å; L416-I418 HydrophobicContact CD2-CG1 3.83Å; L416-I418 HydrophobicContact CG-CD1 4.33Å; L416-I418 HydrophobicContact CG-CG1 3.85Å; I418-M422 HydrophobicContact CG2-CB 4.22Å; I418-M422 HydrophobicContact CG2-CE 4.37Å; I418-M422 HydrophobicContact CG2-CG 4.45Å; I418-M422 HydrophobicContact CG2-SD 3.59Å; I418-M422 VanDerWaalsContact CG2-SD 3.59Å; I418-R427 HydrophobicContact CD1-CG 3.7Å; I418-R427 HydrophobicContact CG2-CB 4.34Å; I418-R427 HydrophobicContact CG2-CG 4.11Å; I418-E431 HydrophobicContact CD1-CG 3.85Å; I418-E431 WeakPolarHBondContact CD1-OE1 3.3Å
419P81Confident91.4Very high31 Ų3159.4 Ų59.420%0.20134%0.339CS..  trans-63.9151.8177.423.7-33.7000113.7G421 M422P419-G421 PolarHBondContact O-N 3.42Å; P419-M422 HydrophobicContact CG-CB 4.2Å; P419-M422 HydrophobicContact CG-CE 4.14Å; P419-M422 WeakPolarHBondContact O-CB 3.38Å; P419-M422 PolarHBondContact O-N 3.36Å
420D81.8Confident91.6Very high162 Ų16252.8 Ų52.887%0.86631%0.314SS*.THydrogen-bonded Turntrans-61.3-26.4177-63.6-34.8000113.5M422D420-M422 VanDerWaalsContact C-N 3.34Å
421G87.7Confident91.8Very high78 Ų7857 Ų5780%0.80433%0.334SS*.THydrogen-bonded Turntrans-81.8-3.8179.800000115.7P419P419-G421 PolarHBondContact O-N 3.42Å
422M93.4Very high92Very high18 Ų1857.9 Ų57.99%0.08934%0.343CS..SBendtrans-79.5137.5179.8-176.1177.4-70.400111.3L390 I418 P419 D420 M426 R427 L430L390-M422 HydrophobicContact CD1-CE 4.22Å; I418-M422 HydrophobicContact CG2-CB 4.22Å; I418-M422 HydrophobicContact CG2-CE 4.37Å; I418-M422 HydrophobicContact CG2-CG 4.45Å; I418-M422 HydrophobicContact CG2-SD 3.59Å; I418-M422 VanDerWaalsContact CG2-SD 3.59Å; P419-M422 HydrophobicContact CG-CB 4.2Å; P419-M422 HydrophobicContact CG-CE 4.14Å; P419-M422 WeakPolarHBondContact O-CB 3.38Å; P419-M422 PolarHBondContact O-N 3.36Å; D420-M422 VanDerWaalsContact C-N 3.34Å; M422-M426 HydrophobicContact CE-CG 4.18Å; M422-M426 HydrophobicContact CG-CB 3.7Å; M422-M426 HydrophobicContact CG-CG 3.65Å; M422-M426 HydrophobicContact SD-CB 4.21Å; M422-M426 HydrophobicContact SD-CG 3.69Å; M422-R427 HydrophobicContact CG-CB 4.49Å; M422-R427 HydrophobicContact SD-CB 4.22Å; M422-L430 HydrophobicContact CE-CD1 3.58Å; M422-L430 HydrophobicContact SD-CD1 3.7Å
423S96.6Very high92.3Very high32 Ų3255.2 Ų55.222%0.22433%0.33CS..  trans-61.9154.5176.671.30000112E296 E425 M426 R427E296-S423 VanDerWaalsContact CD-OG 3.31Å; E296-S423 PolarHBondContact OE1-N 2.98Å; E296-S423 PolarHBondContact OE1-OG 2.98Å; E296-S423 WeakPolarHBondContact OE2-CB 3.43Å; E296-S423 PolarHBondContact OE2-OG 2.86Å; S423-E425 PolarHBondContact O-N 3.13Å; S423-M426 PolarHBondContact O-N 3.16Å; S423-M426 VanDerWaalsContact OG-CB 3.26Å; S423-M426 WeakPolarHBondContact OG-CB 3.38Å; S423-M426 PolarHBondContact OG-N 3.29Å; S423-R427 WeakPolarHBondContact O-CB 3.3Å; S423-R427 PolarHBondContact O-N 2.83Å
424C96.5Very high92.6Very high99 Ų9951 Ų5167%0.66930%0.303SS*.Hα-helixtrans-60.3-35.9175.7-64.40000111.3S428C424-S428 WeakPolarHBondContact O-CB 3.41Å; C424-S428 PolarHBondContact O-N 2.81Å
425E97.6Very high93Very high92 Ų9250.1 Ų50.143%0.4330%0.302SS..Hα-helixtrans-69-45.1178.6-61.982175.500111.7S423 S428 L429 H455 P456 F457S423-E425 PolarHBondContact O-N 3.13Å; E425-S428 PolarHBondContact O-N 3.15Å; E425-L429 WeakPolarHBondContact O-CB 3.42Å; E425-L429 PolarHBondContact O-N 3.36Å; E425-H455 PolarHBondContact O-CE1 3.15Å; E425-H455 VanDerWaalsContact O-CE1 3.28Å; E425-P456 HydrophobicContact CG-CB 4.28Å; E425-F457 HydrophobicContact CB-CB 4.13Å; E425-F457 HydrophobicContact CB-CD2 4.07Å
426M97.7Very high93.5Very high0 Ų051.4 Ų51.40%029%0.293CS..Hα-helixtrans-66-41.4176.4179.258.480.800111.3E296 V299 L390 M422 S423 L429 L430 F457E296-M426 HydrophobicContact CB-CE 4.11Å; E296-M426 HydrophobicContact CG-CB 4.34Å; E296-M426 HydrophobicContact CG-CE 3.96Å; E296-M426 HydrophobicContact CG-CG 4.32Å; E296-M426 WeakPolarHBondContact OE1-CB 3.3Å; V299-M426 HydrophobicContact CB-CE 4.46Å; V299-M426 HydrophobicContact CG1-CE 4.07Å; L390-M426 HydrophobicContact CD1-CE 3.77Å; L390-M426 HydrophobicContact CD1-CG 3.83Å; L390-M426 HydrophobicContact CD1-SD 3.68Å; L390-M426 HydrophobicContact CD2-CE 4.21Å; M422-M426 HydrophobicContact CE-CG 4.18Å; M422-M426 HydrophobicContact CG-CB 3.7Å; M422-M426 HydrophobicContact CG-CG 3.65Å; M422-M426 HydrophobicContact SD-CB 4.21Å; M422-M426 HydrophobicContact SD-CG 3.69Å; S423-M426 PolarHBondContact O-N 3.16Å; S423-M426 VanDerWaalsContact OG-CB 3.26Å; S423-M426 WeakPolarHBondContact OG-CB 3.38Å; S423-M426 PolarHBondContact OG-N 3.29Å; M426-L429 WeakPolarHBondContact O-CB 3.43Å; M426-L429 PolarHBondContact O-N 2.77Å; M426-L429 HydrophobicContact SD-CD2 4.35Å; M426-L430 HydrophobicContact CG-CD1 4.07Å; M426-L430 HydrophobicContact CG-CG 4.48Å; M426-L430 WeakPolarHBondContact O-CG 3.49Å; M426-L430 PolarHBondContact O-N 2.91Å; M426-L430 HydrophobicContact SD-CD1 4.1Å; M426-L430 HydrophobicContact SD-CG 4.03Å; M426-F457 HydrophobicContact CB-CD2 4.19Å; M426-F457 HydrophobicContact CB-CE2 4.11Å; M426-F457 HydrophobicContact CE-CD2 4.23Å; M426-F457 HydrophobicContact CE-CE1 3.83Å; M426-F457 HydrophobicContact CE-CE2 3.39Å; M426-F457 HydrophobicContact CE-CZ 3.15Å; M426-F457 HydrophobicContact SD-CE2 4.33Å; M426-F457 HydrophobicContact SD-CZ 4.38Å
427R96.8Very high93.9Very high86 Ų8653.7 Ų53.733%0.32531%0.305SS..Hα-helixtrans-55.3-53.9173.8175.7175.3-54.4-174.5-0.3111.3I418 M422 S423 L429 L430 E431I418-R427 HydrophobicContact CD1-CG 3.7Å; I418-R427 HydrophobicContact CG2-CB 4.34Å; I418-R427 HydrophobicContact CG2-CG 4.11Å; M422-R427 HydrophobicContact CG-CB 4.49Å; M422-R427 HydrophobicContact SD-CB 4.22Å; S423-R427 WeakPolarHBondContact O-CB 3.3Å; S423-R427 PolarHBondContact O-N 2.83Å; R427-L429 VanDerWaalsContact C-N 3.28Å; R427-L429 PolarHBondContact O-N 3.12Å; R427-L430 PolarHBondContact O-N 2.89Å; R427-E431 HydrophobicContact CG-CG 4.42Å; R427-E431 WeakPolarHBondContact O-CB 3.07Å; R427-E431 WeakPolarHBondContact O-CG 3.17Å; R427-E431 PolarHBondContact O-N 2.83Å
428S97.1Very high94.5Very high54 Ų5451.7 Ų51.738%0.37830%0.296SS..Hα-helixtrans-57.9-40.2178.1177.40000112.1C424 E425 G432 H455C424-S428 WeakPolarHBondContact O-CB 3.41Å; C424-S428 PolarHBondContact O-N 2.81Å; E425-S428 PolarHBondContact O-N 3.15Å; S428-G432 PolarHBondContact O-N 3.17Å; S428-H455 PolarHBondContact OG-NE2 3.41Å
429L98.3Very high95Very high0 Ų054.8 Ų54.80%032%0.319CS..Hα-helixtrans-63.3-49.6178.5178.862.2000111.2L386 E425 M426 R427 G432 L433 L442 H455 F457 F458L386-L429 HydrophobicContact CD1-CD2 4.15Å; E425-L429 WeakPolarHBondContact O-CB 3.42Å; E425-L429 PolarHBondContact O-N 3.36Å; M426-L429 WeakPolarHBondContact O-CB 3.43Å; M426-L429 PolarHBondContact O-N 2.77Å; M426-L429 HydrophobicContact SD-CD2 4.35Å; R427-L429 VanDerWaalsContact C-N 3.28Å; R427-L429 PolarHBondContact O-N 3.12Å; L429-G432 PolarHBondContact O-N 3.46Å; L429-L433 HydrophobicContact CD1-CD1 3.84Å; L429-L433 HydrophobicContact CD1-CG 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.95Å; L429-L433 WeakPolarHBondContact O-CG 3.37Å; L429-L433 PolarHBondContact O-N 2.85Å; L429-L442 HydrophobicContact CD1-CD2 3.66Å; L429-H455 VanDerWaalsContact CA-CE1 3.46Å; L429-H455 WeakPolarHBondContact CA-CE1 3.46Å; L429-H455 HydrophobicContact CD1-CB 4.33Å; L429-H455 PolarHBondContact N-CE1 2.88Å; L429-H455 VanDerWaalsContact N-CE1 3.27Å; L429-H455 PolarHBondContact N-NE2 2.87Å; L429-F457 HydrophobicContact CB-CB 4.32Å; L429-F457 HydrophobicContact CD2-CB 4.08Å; L429-F457 HydrophobicContact CD2-CD1 3.49Å; L429-F457 VanDerWaalsContact CD2-CD1 3.49Å; L429-F457 HydrophobicContact CD2-CE1 4.12Å; L429-F457 HydrophobicContact CD2-CG 3.86Å; L429-F458 HydrophobicContact CD1-CE2 4.05Å; L429-F458 HydrophobicContact CD2-CE2 3.94Å; L429-F458 HydrophobicContact CD2-CZ 4.04Å
430L98Very high95.8Very high0 Ų058.1 Ų58.10%034%0.335CS..Hα-helixtrans-66.6-42.1-179-70172.6000111.7L386 Y387 L390 L416 M422 M426 R427 G432 L433 L434L386-L430 HydrophobicContact CB-CD2 4.13Å; Y387-L430 HydrophobicContact CD2-CD1 4.16Å; L390-L430 HydrophobicContact CD1-CD1 4.17Å; L416-L430 HydrophobicContact CD2-CB 3.9Å; M422-L430 HydrophobicContact CE-CD1 3.58Å; M422-L430 HydrophobicContact SD-CD1 3.7Å; M426-L430 HydrophobicContact CG-CD1 4.07Å; M426-L430 HydrophobicContact CG-CG 4.48Å; M426-L430 WeakPolarHBondContact O-CG 3.49Å; M426-L430 PolarHBondContact O-N 2.91Å; M426-L430 HydrophobicContact SD-CD1 4.1Å; M426-L430 HydrophobicContact SD-CG 4.03Å; R427-L430 PolarHBondContact O-N 2.89Å; L430-G432 VanDerWaalsContact C-N 3.3Å; L430-G432 PolarHBondContact O-N 2.83Å; L430-L433 PolarHBondContact O-N 2.83Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 WeakPolarHBondContact O-CG 3.12Å; L430-L434 PolarHBondContact O-N 2.98Å
431E96.8Very high96.6Very high105 Ų10550.4 Ų50.449%0.49129%0.294SS..Hα-helixtrans-59.8-41.1174.3-73.8174.6168.600111.6I418 R427 A435I418-E431 HydrophobicContact CD1-CG 3.85Å; I418-E431 WeakPolarHBondContact CD1-OE1 3.3Å; R427-E431 HydrophobicContact CG-CG 4.42Å; R427-E431 WeakPolarHBondContact O-CB 3.07Å; R427-E431 WeakPolarHBondContact O-CG 3.17Å; R427-E431 PolarHBondContact O-N 2.83Å; E431-A435 PolarHBondContact O-N 2.73Å
432G97.8Very high97.1Very high19 Ų1947.7 Ų47.720%0.19626%0.261CS..Hα-helixtrans-66.8-46.6176.400000113.5S428 L429 L430 R441 L442S428-G432 PolarHBondContact O-N 3.17Å; L429-G432 PolarHBondContact O-N 3.46Å; L430-G432 VanDerWaalsContact C-N 3.3Å; L430-G432 PolarHBondContact O-N 2.83Å; G432-R441 WeakPolarHBondContact O-CA 3.29Å; G432-L442 PolarHBondContact O-N 3.4Å
433L98.4Very high97.3Very high0 Ų047 Ų470%026%0.259CS..Hα-helixtrans-70.8-36.9179.8-70.9172.7000112.5W379 F380 L382 L386 L429 L430 A435 R441 L442 V452W379-L433 HydrophobicContact CB-CD2 4.14Å; W379-L433 HydrophobicContact CE3-CD2 4.44Å; F380-L433 WeakPolarHBondContact CA-O 3.44Å; L382-L433 HydrophobicContact CD2-CD1 4.24Å; L382-L433 HydrophobicContact CD2-CD2 4.45Å; L382-L433 HydrophobicContact CG-CD1 4.27Å; L386-L433 HydrophobicContact CD1-CD1 4.14Å; L429-L433 HydrophobicContact CD1-CD1 3.84Å; L429-L433 HydrophobicContact CD1-CG 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.95Å; L429-L433 WeakPolarHBondContact O-CG 3.37Å; L429-L433 PolarHBondContact O-N 2.85Å; L430-L433 PolarHBondContact O-N 2.83Å; L433-A435 VanDerWaalsContact C-N 3.31Å; L433-R441 VanDerWaalsContact O-CD 3.32Å; L433-R441 WeakPolarHBondContact O-CD 3.31Å; L433-R441 WeakPolarHBondContact O-CG 3.44Å; L433-L442 HydrophobicContact CD2-CB 4.24Å; L433-L442 HydrophobicContact CD2-CD2 4.3Å; L433-L442 HydrophobicContact CG-CD2 4.33Å; L433-V452 HydrophobicContact CD2-CG1 4.5Å; L433-V452 HydrophobicContact CD2-CG2 4.35Å
434L97.7Very high97.4Very high15 Ų1547.2 Ų47.28%0.07926%0.26CS..THydrogen-bonded Turntrans-92.113.9-178.2-61.5175.3000113.1F380 C384 P395 F396 L416 L430 R436F380-L434 HydrophobicContact CD1-CD2 4.31Å; F380-L434 HydrophobicContact CD2-CD2 4.09Å; F380-L434 HydrophobicContact CE1-CD2 4.19Å; F380-L434 HydrophobicContact CE2-CB 4.32Å; F380-L434 HydrophobicContact CE2-CD2 3.95Å; F380-L434 HydrophobicContact CG-CD2 4.28Å; F380-L434 HydrophobicContact CZ-CD2 4.01Å; F380-L434 WeakPolarHBondContact O-CD2 3.12Å; C384-L434 VanDerWaalsContact SG-CD2 3.59Å; P395-L434 HydrophobicContact CB-CD1 4.39Å; P395-L434 HydrophobicContact CG-CD1 4.24Å; F396-L434 HydrophobicContact CE2-CD2 4.21Å; F396-L434 HydrophobicContact CZ-CD2 4.38Å; L416-L434 HydrophobicContact CD1-CD1 3.61Å; L416-L434 HydrophobicContact CD2-CD1 3.94Å; L416-L434 HydrophobicContact CG-CD1 4.41Å; L430-L434 WeakPolarHBondContact O-CB 3.46Å; L430-L434 WeakPolarHBondContact O-CG 3.12Å; L430-L434 PolarHBondContact O-N 2.98Å; L434-R436 PolarHBondContact O-N 3.42Å
435A97Very high97.4Very high20 Ų2048.1 Ų48.117%0.16526%0.256CS..  trans-59.9125.8170.800000110.1E431 L433 R441E431-A435 PolarHBondContact O-N 2.73Å; L433-A435 VanDerWaalsContact C-N 3.31Å; A435-R441 HydrophobicContact CB-CB 4.17Å; A435-R441 HydrophobicContact CB-CG 4.46Å; A435-R441 PolarHBondContact O-NE 3.03Å; A435-R441 PolarHBondContact O-NH2 3.24Å; A435-R441 VanDerWaalsContact O-NH2 3.14Å
436R95.9Very high97.3Very high118 Ų11847.3 Ų47.345%0.44527%0.272SS..SBendtrans-67.3-41.8-176.5-74.2176.4-76.8-161.2-11.3112.6P364 M412 T413 L434 R441P364-R436 HydrophobicContact CG-CB 4.22Å; P364-R436 HydrophobicContact CG-CG 4.09Å; M412-R436 WeakPolarHBondContact O-CD 3.47Å; M412-R436 PolarHBondContact O-NH1 3.05Å; T413-R436 PolarHBondContact O-NH1 2.84Å; L434-R436 PolarHBondContact O-N 3.42Å; R436-R441 PolarHBondContact O-NH2 3.06Å; R436-R441 VanDerWaalsContact O-NH2 3.08Å
437D95.9Very high97.3Very high84 Ų8453.8 Ų53.845%0.44930%0.297SS..SBendtrans-79122.8175-175.9-0.5000110.1C439 N440 R441D437-C439 PolarHBondContact O-N 3.47Å; D437-C439 PolarHBondContact OD1-N 3.48Å; D437-N440 PolarHBondContact O-N 3.31Å; D437-N440 PolarHBondContact OD2-ND2 3.47Å; D437-R441 PolarHBondContact O-N 2.58Å
438V97.6Very high97.3Very high42 Ų4250.9 Ų50.926%0.25529%0.293SS..G310 helixtrans-56.1-36.3178.9177.50000111.3E365 N440 R441 C444E365-V438 HydrophobicContact CB-CG2 4.32Å; E365-V438 HydrophobicContact CG-CG2 4.06Å; V438-N440 PolarHBondContact O-N 3.18Å; V438-N440 VanDerWaalsContact O-N 3.15Å; V438-R441 PolarHBondContact O-N 3.49Å; V438-R441 VanDerWaalsContact O-N 3.09Å; V438-C444 HydrophobicContact CG1-CB 3.95Å; V438-C444 WeakPolarHBondContact O-CB 3.26Å
439C96.5Very high97.3Very high95 Ų9548.8 Ų48.864%0.64228%0.279SS*.G310 helixtrans-64.2-22.6-178.5-54.90000113.1D437D437-C439 PolarHBondContact O-N 3.47Å; D437-C439 PolarHBondContact OD1-N 3.48Å
440N96.9Very high97.3Very high101 Ų10151.8 Ų51.854%0.5429%0.294SS..G310 helixtrans-105.8-1.9179.8-60.7-51.9000112.4D437 V438 M445D437-N440 PolarHBondContact O-N 3.31Å; D437-N440 PolarHBondContact OD2-ND2 3.47Å; V438-N440 PolarHBondContact O-N 3.18Å; V438-N440 VanDerWaalsContact O-N 3.15Å; N440-M445 WeakPolarHBondContact O-CE 3.49Å
441R98.3Very high97.3Very high0 Ų052.3 Ų52.30%030%0.297CS..SBendtrans-80.2134.3-175.5-167.4178.4-60.5152.56.7111.1E365 S376 G432 L433 A435 R436 D437 V438 G443 C444E365-R441 VanDerWaalsContact CD-NH1 3.27Å; E365-R441 IonicContact OE1-CZ 2.74Å; E365-R441 IonicContact OE1-NH1 3.02Å; E365-R441 PolarHBondContact OE1-NH1 3.46Å; E365-R441 IonicContact OE1-NH2 3.66Å; E365-R441 IonicContact OE2-CZ 2.66Å; E365-R441 IonicContact OE2-NH1 2.66Å; E365-R441 PolarHBondContact OE2-NH1 3.41Å; E365-R441 VanDerWaalsContact OE2-NH1 3.08Å; E365-R441 IonicContact OE2-NH2 2.99Å; E365-R441 PolarHBondContact OE2-NH2 3.2Å; S376-R441 PolarHBondContact O-NH1 3.44Å; G432-R441 WeakPolarHBondContact O-CA 3.29Å; L433-R441 VanDerWaalsContact O-CD 3.32Å; L433-R441 WeakPolarHBondContact O-CD 3.31Å; L433-R441 WeakPolarHBondContact O-CG 3.44Å; A435-R441 HydrophobicContact CB-CB 4.17Å; A435-R441 HydrophobicContact CB-CG 4.46Å; A435-R441 PolarHBondContact O-NE 3.03Å; A435-R441 PolarHBondContact O-NH2 3.24Å; A435-R441 VanDerWaalsContact O-NH2 3.14Å; R436-R441 PolarHBondContact O-NH2 3.06Å; R436-R441 VanDerWaalsContact O-NH2 3.08Å; D437-R441 PolarHBondContact O-N 2.58Å; V438-R441 PolarHBondContact O-N 3.49Å; V438-R441 VanDerWaalsContact O-N 3.09Å; R441-G443 PolarHBondContact O-N 3.12Å; R441-C444 HydrophobicContact CB-CB 4.21Å; R441-C444 VanDerWaalsContact O-CB 3.31Å; R441-C444 WeakPolarHBondContact O-CB 3.47Å; R441-C444 PolarHBondContact O-N 3.36Å
442L98.6Very high97.4Very high22 Ų2247.3 Ų47.312%0.11527%0.273CS..THydrogen-bonded Turntrans-60.8129.7174.9-169.670.1000109.9L429 G432 L433 E451 V452 H455L429-L442 HydrophobicContact CD1-CD2 3.66Å; G432-L442 PolarHBondContact O-N 3.4Å; L433-L442 HydrophobicContact CD2-CB 4.24Å; L433-L442 HydrophobicContact CD2-CD2 4.3Å; L433-L442 HydrophobicContact CG-CD2 4.33Å; L442-E451 HydrophobicContact CD1-CB 4.16Å; L442-V452 HydrophobicContact CD2-CG1 4.4Å; L442-V452 HydrophobicContact CD2-CG2 4.37Å; L442-V452 HydrophobicContact CG-CG2 4.1Å; L442-H455 HydrophobicContact CD2-CB 4.25Å
443G98.4Very high97.4Very high4 Ų449 Ų494%0.04127%0.274CS..THydrogen-bonded Turntrans92.9-0.7-174.300000114.3W379 R441 G448 E451W379-G443 PolarHBondContact NE1-O 2.81Å; W379-G443 VanDerWaalsContact NE1-O 3.16Å; R441-G443 PolarHBondContact O-N 3.12Å; G443-G448 WeakPolarHBondContact CA-O 3.31Å; G443-G448 WeakPolarHBondContact O-CA 3.43Å; G443-E451 VanDerWaalsContact C-OE2 3.3Å; G443-E451 VanDerWaalsContact CA-OE2 3.23Å; G443-E451 WeakPolarHBondContact CA-OE2 3.41Å; G443-E451 PolarHBondContact N-OE2 3.32Å
444C98.4Very high97.4Very high35 Ų3554.2 Ų54.224%0.23630%0.298CS..  trans-119.87.5-174.7-54.90000113.8V438 R441 G446 E451V438-C444 HydrophobicContact CG1-CB 3.95Å; V438-C444 WeakPolarHBondContact O-CB 3.26Å; R441-C444 HydrophobicContact CB-CB 4.21Å; R441-C444 VanDerWaalsContact O-CB 3.31Å; R441-C444 WeakPolarHBondContact O-CB 3.47Å; R441-C444 PolarHBondContact O-N 3.36Å; C444-G446 VanDerWaalsContact C-N 3.32Å; C444-G446 PolarHBondContact O-N 3.49Å; C444-E451 PolarHBondContact N-OE2 3.43Å; C444-E451 VanDerWaalsContact N-OE2 3.1Å
445M96.4Very high97.4Very high118 Ų11854.1 Ų54.158%0.58130%0.298SS*.SBendtrans-93.818-176.7-51.3177-176.400113.5N440 E451N440-M445 WeakPolarHBondContact O-CE 3.49Å; M445-E451 WeakPolarHBondContact CA-OE1 3.49Å; M445-E451 WeakPolarHBondContact CB-OE1 2.98Å; M445-E451 WeakPolarHBondContact CB-OE2 3.38Å; M445-E451 PolarHBondContact N-OE1 3.12Å; M445-E451 PolarHBondContact N-OE2 3.27Å
446G95.1Very high97.5Very high76 Ų7656.9 Ų56.978%0.78431%0.314SS*.SBendtrans102.7-9.2172.700000116.1C444 E451C444-G446 VanDerWaalsContact C-N 3.32Å; C444-G446 PolarHBondContact O-N 3.49Å; G446-E451 PolarHBondContact N-OE1 3.46Å
447R97Very high97.6Very high136 Ų13651.4 Ų51.451%0.51329%0.293SS..SBendtrans-110.62176.6-55.7-173.5-62.2147.63.7113.8S449 L450 E451 E454R447-S449 PolarHBondContact O-N 3.07Å; R447-L450 HydrophobicContact CB-CB 4.28Å; R447-L450 HydrophobicContact CB-CD2 4.48Å; R447-L450 WeakPolarHBondContact O-CB 3.44Å; R447-L450 PolarHBondContact O-N 3.39Å; R447-E451 WeakPolarHBondContact CA-OE1 3.27Å; R447-E451 HydrophobicContact CB-CG 3.83Å; R447-E451 PolarHBondContact N-OE1 3.43Å; R447-E454 IonicContact CZ-OE2 2.68Å; R447-E454 IonicContact NH1-OE1 2.96Å; R447-E454 PolarHBondContact NH1-OE1 2.91Å; R447-E454 IonicContact NH1-OE2 2.66Å; R447-E454 PolarHBondContact NH1-OE2 3.03Å; R447-E454 IonicContact NH2-OE2 3.08Å; R447-E454 PolarHBondContact NH2-OE2 3.18Å
448G96.8Very high97.7Very high24 Ų2447.5 Ų47.525%0.24727%0.272CS..THydrogen-bonded Turntrans61.2-132.6170.300000112.7G443 L450 E451G443-G448 WeakPolarHBondContact CA-O 3.31Å; G443-G448 WeakPolarHBondContact O-CA 3.43Å; G448-L450 PolarHBondContact O-N 3.38Å; G448-L450 VanDerWaalsContact O-N 3.09Å; G448-E451 PolarHBondContact N-OE1 3Å; G448-E451 WeakPolarHBondContact O-CB 3.14Å; G448-E451 PolarHBondContact O-N 3.08Å; G448-E451 VanDerWaalsContact O-N 3.11Å
449S97.5Very high97.7Very high11 Ų1154.4 Ų54.48%0.07730%0.299CS..Hα-helixtrans-56.8-29.2-177.8750000113.3E311 R447 E451 V452 R453E311-S449 PolarHBondContact OE1-OG 3.05Å; E311-S449 WeakPolarHBondContact OE2-CB 3.44Å; E311-S449 PolarHBondContact OE2-OG 3.2Å; R447-S449 PolarHBondContact O-N 3.07Å; S449-E451 PolarHBondContact O-N 3.06Å; S449-V452 PolarHBondContact O-N 3.17Å; S449-V452 VanDerWaalsContact O-N 3.07Å; S449-R453 VanDerWaalsContact O-CG 3.3Å; S449-R453 WeakPolarHBondContact O-CG 3.31Å; S449-R453 PolarHBondContact O-N 3.36Å; S449-R453 PolarHBondContact OG-NE 2.73Å; S449-R453 PolarHBondContact OG-NH2 3.44Å
450L97.6Very high97.5Very high62 Ų6253.5 Ų53.533%0.32531%0.305SS..Hα-helixtrans-58.6-35.6-179.7-175.862.1000111.9R447 G448 V452 R453 E454R447-L450 HydrophobicContact CB-CB 4.28Å; R447-L450 HydrophobicContact CB-CD2 4.48Å; R447-L450 WeakPolarHBondContact O-CB 3.44Å; R447-L450 PolarHBondContact O-N 3.39Å; G448-L450 PolarHBondContact O-N 3.38Å; G448-L450 VanDerWaalsContact O-N 3.09Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 2.89Å; L450-R453 PolarHBondContact O-N 2.89Å; L450-E454 HydrophobicContact CD1-CG 4.06Å; L450-E454 HydrophobicContact CG-CG 4.32Å; L450-E454 WeakPolarHBondContact O-CB 3.32Å; L450-E454 VanDerWaalsContact O-CG 3.31Å; L450-E454 WeakPolarHBondContact O-CG 3.37Å; L450-E454 PolarHBondContact O-N 3.29Å
451E98.4Very high97.5Very high11 Ų1150 Ų505%0.05129%0.286CS..Hα-helixtrans-63.7-42177.2-57.7171-162.600111.5L442 G443 C444 M445 G446 R447 G448 S449 H455L442-E451 HydrophobicContact CD1-CB 4.16Å; G443-E451 VanDerWaalsContact C-OE2 3.3Å; G443-E451 VanDerWaalsContact CA-OE2 3.23Å; G443-E451 WeakPolarHBondContact CA-OE2 3.41Å; G443-E451 PolarHBondContact N-OE2 3.32Å; C444-E451 PolarHBondContact N-OE2 3.43Å; C444-E451 VanDerWaalsContact N-OE2 3.1Å; M445-E451 WeakPolarHBondContact CA-OE1 3.49Å; M445-E451 WeakPolarHBondContact CB-OE1 2.98Å; M445-E451 WeakPolarHBondContact CB-OE2 3.38Å; M445-E451 PolarHBondContact N-OE1 3.12Å; M445-E451 PolarHBondContact N-OE2 3.27Å; G446-E451 PolarHBondContact N-OE1 3.46Å; R447-E451 WeakPolarHBondContact CA-OE1 3.27Å; R447-E451 HydrophobicContact CB-CG 3.83Å; R447-E451 PolarHBondContact N-OE1 3.43Å; G448-E451 PolarHBondContact N-OE1 3Å; G448-E451 WeakPolarHBondContact O-CB 3.14Å; G448-E451 PolarHBondContact O-N 3.08Å; G448-E451 VanDerWaalsContact O-N 3.11Å; S449-E451 PolarHBondContact O-N 3.06Å; E451-H455 PolarHBondContact O-N 2.95Å
452V98.6Very high97.2Very high0 Ų053.6 Ų53.60%031%0.305CS..Hα-helixtrans-69.7-42178.1-170.70000109.9I307 W379 L433 L442 S449 L450 E454 H455 F458I307-V452 HydrophobicContact CD1-CG1 3.57Å; I307-V452 HydrophobicContact CG1-CG1 4.1Å; W379-V452 HydrophobicContact CD2-CG2 4.09Å; W379-V452 HydrophobicContact CE3-CG2 3.76Å; W379-V452 HydrophobicContact CH2-CG2 4.13Å; W379-V452 HydrophobicContact CZ2-CG2 4.4Å; W379-V452 HydrophobicContact CZ3-CB 4.37Å; W379-V452 HydrophobicContact CZ3-CG1 4.48Å; W379-V452 HydrophobicContact CZ3-CG2 3.79Å; L433-V452 HydrophobicContact CD2-CG1 4.5Å; L433-V452 HydrophobicContact CD2-CG2 4.35Å; L442-V452 HydrophobicContact CD2-CG1 4.4Å; L442-V452 HydrophobicContact CD2-CG2 4.37Å; L442-V452 HydrophobicContact CG-CG2 4.1Å; S449-V452 PolarHBondContact O-N 3.17Å; S449-V452 VanDerWaalsContact O-N 3.07Å; L450-V452 VanDerWaalsContact C-N 3.34Å; L450-V452 PolarHBondContact O-N 2.89Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 2.67Å; V452-H455 WeakPolarHBondContact O-CB 3.39Å; V452-H455 PolarHBondContact O-N 3.47Å; V452-F458 HydrophobicContact CG1-CE2 4.11Å; V452-F458 WeakPolarHBondContact O-CD2 3.31Å
453R98.3Very high97Very high55 Ų5554.4 Ų54.421%0.20831%0.307CS..Hα-helixtrans-66.5-31.6-179.5-70.5-167.8-72.4174.5-15.9114I307 E311 S449 L450 H455 W463I307-R453 HydrophobicContact CG2-CG 3.87Å; E311-R453 IonicContact OE1-CZ 3.6Å; E311-R453 IonicContact OE1-NH1 3.77Å; E311-R453 IonicContact OE1-NH2 2.82Å; E311-R453 PolarHBondContact OE1-NH2 2.83Å; E311-R453 IonicContact OE2-CZ 3.56Å; E311-R453 IonicContact OE2-NE 2.74Å; E311-R453 PolarHBondContact OE2-NE 3.33Å; E311-R453 IonicContact OE2-NH1 3.48Å; E311-R453 IonicContact OE2-NH2 3.56Å; E311-R453 PolarHBondContact OE2-NH2 3.23Å; S449-R453 VanDerWaalsContact O-CG 3.3Å; S449-R453 WeakPolarHBondContact O-CG 3.31Å; S449-R453 PolarHBondContact O-N 3.36Å; S449-R453 PolarHBondContact OG-NE 2.73Å; S449-R453 PolarHBondContact OG-NH2 3.44Å; L450-R453 PolarHBondContact O-N 2.89Å; R453-H455 VanDerWaalsContact C-N 3.3Å; R453-W463 VanDerWaalsContact CA-CZ2 3.43Å; R453-W463 HydrophobicContact CB-CD2 4.14Å; R453-W463 VanDerWaalsContact CB-CE2 3.48Å; R453-W463 HydrophobicContact CB-CH2 4.19Å; R453-W463 HydrophobicContact CB-CZ2 3.54Å; R453-W463 VanDerWaalsContact CD-CD2 3.44Å; R453-W463 HydrophobicContact CG-CD2 3.74Å; R453-W463 VanDerWaalsContact CG-CE2 3.49Å; R453-W463 HydrophobicContact CG-CE3 3.85Å; R453-W463 HydrophobicContact CG-CH2 3.58Å; R453-W463 HydrophobicContact CG-CZ2 3.45Å; R453-W463 VanDerWaalsContact CG-CZ2 3.45Å; R453-W463 HydrophobicContact CG-CZ3 3.76Å; R453-W463 PolarHBondContact O-NE1 2.85Å
454E97.8Very high96.6Very high109 Ų10958.7 Ų58.751%0.50933%0.326SS..THydrogen-bonded Turntrans-82.1-6.4176.3-73.2176.7173.600113.1R447 L450 V452R447-E454 IonicContact CZ-OE2 2.68Å; R447-E454 IonicContact NH1-OE1 2.96Å; R447-E454 PolarHBondContact NH1-OE1 2.91Å; R447-E454 IonicContact NH1-OE2 2.66Å; R447-E454 PolarHBondContact NH1-OE2 3.03Å; R447-E454 IonicContact NH2-OE2 3.08Å; R447-E454 PolarHBondContact NH2-OE2 3.18Å; L450-E454 HydrophobicContact CD1-CG 4.06Å; L450-E454 HydrophobicContact CG-CG 4.32Å; L450-E454 WeakPolarHBondContact O-CB 3.32Å; L450-E454 VanDerWaalsContact O-CG 3.31Å; L450-E454 WeakPolarHBondContact O-CG 3.37Å; L450-E454 PolarHBondContact O-N 3.29Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 2.67Å
455H98.6Very high96.2Very high14 Ų1458.8 Ų58.87%0.06532%0.323CS..SBendtrans-61.4139.8-178.4-171.1-88.5000111.4E425 S428 L429 L442 E451 V452 R453 F457 F458E425-H455 PolarHBondContact O-CE1 3.15Å; E425-H455 VanDerWaalsContact O-CE1 3.28Å; S428-H455 PolarHBondContact OG-NE2 3.41Å; L429-H455 VanDerWaalsContact CA-CE1 3.46Å; L429-H455 WeakPolarHBondContact CA-CE1 3.46Å; L429-H455 HydrophobicContact CD1-CB 4.33Å; L429-H455 PolarHBondContact N-CE1 2.88Å; L429-H455 VanDerWaalsContact N-CE1 3.27Å; L429-H455 PolarHBondContact N-NE2 2.87Å; L442-H455 HydrophobicContact CD2-CB 4.25Å; E451-H455 PolarHBondContact O-N 2.95Å; V452-H455 WeakPolarHBondContact O-CB 3.39Å; V452-H455 PolarHBondContact O-N 3.47Å; R453-H455 VanDerWaalsContact C-N 3.3Å; H455-F457 WeakPolarHBondContact ND1-CB 3.35Å; H455-F457 PolarHBondContact ND1-N 2.98Å; H455-F457 PolarHBondContact O-N 2.93Å; H455-F458 HydrophobicContact CB-CD2 4.25Å; H455-F458 PolarHBondContact O-N 2.69Å
456P98.4Very high96.2Very high77 Ų7753.4 Ų53.450%0.530%0.296SS..G310 helixtrans-52.2-29-176.8-31.336.2000115.7E425 F458 K459E425-P456 HydrophobicContact CG-CB 4.28Å; P456-F458 PolarHBondContact O-N 3.4Å; P456-K459 WeakPolarHBondContact O-CB 3.25Å; P456-K459 PolarHBondContact O-N 3.05Å
457F98.5Very high96.1Very high3 Ų354 Ų541%0.01328%0.276CS..G310 helixtrans-59.5-30.2175.7-176.2-103.3000114E296 R300 E425 M426 L429 H455E296-F457 HydrophobicContact CB-CE2 4.19Å; E296-F457 HydrophobicContact CB-CZ 4.35Å; E296-F457 WeakPolarHBondContact O-CZ 3.41Å; R300-F457 HydrophobicContact CB-CE1 3.6Å; R300-F457 HydrophobicContact CB-CZ 3.76Å; R300-F457 HydrophobicContact CG-CD1 4.33Å; R300-F457 HydrophobicContact CG-CE1 3.76Å; R300-F457 HydrophobicContact CG-CZ 4.25Å; R300-F457 PolarHBondContact NE-O 3.38Å; E425-F457 HydrophobicContact CB-CB 4.13Å; E425-F457 HydrophobicContact CB-CD2 4.07Å; M426-F457 HydrophobicContact CB-CD2 4.19Å; M426-F457 HydrophobicContact CB-CE2 4.11Å; M426-F457 HydrophobicContact CE-CD2 4.23Å; M426-F457 HydrophobicContact CE-CE1 3.83Å; M426-F457 HydrophobicContact CE-CE2 3.39Å; M426-F457 HydrophobicContact CE-CZ 3.15Å; M426-F457 HydrophobicContact SD-CE2 4.33Å; M426-F457 HydrophobicContact SD-CZ 4.38Å; L429-F457 HydrophobicContact CB-CB 4.32Å; L429-F457 HydrophobicContact CD2-CB 4.08Å; L429-F457 HydrophobicContact CD2-CD1 3.49Å; L429-F457 VanDerWaalsContact CD2-CD1 3.49Å; L429-F457 HydrophobicContact CD2-CE1 4.12Å; L429-F457 HydrophobicContact CD2-CG 3.86Å; H455-F457 WeakPolarHBondContact ND1-CB 3.35Å; H455-F457 PolarHBondContact ND1-N 2.98Å; H455-F457 PolarHBondContact O-N 2.93Å
458F98.5Very high95.9Very high3 Ų350 Ų501%0.01327%0.265CS..G310 helixtrans-98.310.7177.5-58.9-73.5000112.7R300 A303 I307 L429 V452 H455 P456 G460 I461 W463R300-F458 HydrophobicContact CG-CD1 3.88Å; R300-F458 HydrophobicContact CG-CE1 4.1Å; A303-F458 HydrophobicContact CB-CE1 3.91Å; A303-F458 HydrophobicContact CB-CZ 3.89Å; I307-F458 HydrophobicContact CD1-CE1 4.12Å; I307-F458 HydrophobicContact CD1-CE2 3.83Å; I307-F458 HydrophobicContact CD1-CZ 3.5Å; I307-F458 VanDerWaalsContact CD1-CZ 3.5Å; L429-F458 HydrophobicContact CD1-CE2 4.05Å; L429-F458 HydrophobicContact CD2-CE2 3.94Å; L429-F458 HydrophobicContact CD2-CZ 4.04Å; V452-F458 HydrophobicContact CG1-CE2 4.11Å; V452-F458 WeakPolarHBondContact O-CD2 3.31Å; H455-F458 HydrophobicContact CB-CD2 4.25Å; H455-F458 PolarHBondContact O-N 2.69Å; P456-F458 PolarHBondContact O-N 3.4Å; F458-G460 PolarHBondContact O-N 2.78Å; F458-I461 HydrophobicContact CB-CG1 4.21Å; F458-I461 HydrophobicContact CD1-CG1 4.44Å; F458-I461 VanDerWaalsContact O-CB 3.3Å; F458-I461 WeakPolarHBondContact O-CB 3.28Å; F458-I461 WeakPolarHBondContact O-CG1 3.31Å; F458-I461 PolarHBondContact O-N 3.17Å; F458-W463 HydrophobicContact CB-CZ2 3.83Å; F458-W463 HydrophobicContact CD1-CH2 4.15Å; F458-W463 HydrophobicContact CD1-CZ2 4.19Å; F458-W463 HydrophobicContact CD2-CZ2 4.44Å; F458-W463 HydrophobicContact CG-CH2 4.24Å; F458-W463 AromaticContact CG-CZ2 3.91Å; F458-W463 HydrophobicContact CG-CZ2 3.91Å
459K96.8Very high95.8Very high187 Ų18751.4 Ų51.481%0.81327%0.265SS*.THydrogen-bonded Turntrans-55.9126.3177.5-176.8-179.3179.3-177.30110.2P456P456-K459 WeakPolarHBondContact O-CB 3.25Å; P456-K459 PolarHBondContact O-N 3.05Å
460G93.6Very high95.6Very high75 Ų7556.8 Ų56.877%0.77329%0.287SS*.THydrogen-bonded Turntrans91.6-5.6-178.700000114.8F458 D462F458-G460 PolarHBondContact O-N 2.78Å; G460-D462 PolarHBondContact O-N 2.71Å
461I95.7Very high95.5Very high29 Ų2957.1 Ų57.115%0.14928%0.284CS..  trans-72.2119.6168.8-64.3-75.2000109.2R300 F458 W463 V466 Y471R300-I461 HydrophobicContact CG-CD1 4.29Å; F458-I461 HydrophobicContact CB-CG1 4.21Å; F458-I461 HydrophobicContact CD1-CG1 4.44Å; F458-I461 VanDerWaalsContact O-CB 3.3Å; F458-I461 WeakPolarHBondContact O-CB 3.28Å; F458-I461 WeakPolarHBondContact O-CG1 3.31Å; F458-I461 PolarHBondContact O-N 3.17Å; I461-W463 HydrophobicContact CG2-CD2 4.02Å; I461-W463 HydrophobicContact CG2-CE3 4.47Å; I461-W463 HydrophobicContact CG2-CG 4.32Å; I461-W463 HydrophobicContact CG2-CZ2 4.2Å; I461-V466 HydrophobicContact CG2-CG2 3.54Å; I461-Y471 HydrophobicContact CD1-CE1 4.24Å
462D93Very high95.4Very high74 Ų7461.7 Ų61.740%0.39632%0.315SS..  trans-80.9106.4160.8-174-26000109.9G460 Q464 Q465 V466 Y471G460-D462 PolarHBondContact O-N 2.71Å; D462-Q464 VanDerWaalsContact C-N 3.27Å; D462-Q464 PolarHBondContact O-N 2.81Å; D462-Q464 WeakPolarHBondContact OD1-CB 3.21Å; D462-Q464 PolarHBondContact OD1-N 3.32Å; D462-Q465 HydrophobicContact CB-CB 4.06Å; D462-Q465 HydrophobicContact CB-CG 3.88Å; D462-Q465 WeakPolarHBondContact O-CB 3.35Å; D462-Q465 PolarHBondContact O-N 2.73Å; D462-Q465 VanDerWaalsContact O-N 3.16Å; D462-Q465 PolarHBondContact OD1-N 2.84Å; D462-V466 PolarHBondContact O-N 2.93Å; D462-V466 VanDerWaalsContact O-N 3.09Å; D462-Y471 PolarHBondContact N-OH 3.49Å; D462-Y471 WeakPolarHBondContact O-CE2 3.13Å
463W94.1Very high95.3Very high39 Ų3962.8 Ų62.815%0.14832%0.322CS..Hα-helixtrans-66.7-24.7-177.4-67.494.4000114A304 I307 L308 R453 F458 I461 V466 Y467A304-W463 HydrophobicContact CB-CH2 4.07Å; A304-W463 HydrophobicContact CB-CZ3 3.89Å; I307-W463 HydrophobicContact CB-CZ3 4.3Å; I307-W463 HydrophobicContact CD1-CH2 4.05Å; I307-W463 HydrophobicContact CG2-CH2 4.29Å; I307-W463 HydrophobicContact CG2-CZ3 4.08Å; L308-W463 HydrophobicContact CD1-CE3 4.28Å; L308-W463 HydrophobicContact CD2-CE3 3.91Å; L308-W463 HydrophobicContact CD2-CZ3 4.41Å; L308-W463 HydrophobicContact CG-CE3 4.04Å; L308-W463 HydrophobicContact CG-CZ3 4.29Å; R453-W463 VanDerWaalsContact CA-CZ2 3.43Å; R453-W463 HydrophobicContact CB-CD2 4.14Å; R453-W463 VanDerWaalsContact CB-CE2 3.48Å; R453-W463 HydrophobicContact CB-CH2 4.19Å; R453-W463 HydrophobicContact CB-CZ2 3.54Å; R453-W463 VanDerWaalsContact CD-CD2 3.44Å; R453-W463 HydrophobicContact CG-CD2 3.74Å; R453-W463 VanDerWaalsContact CG-CE2 3.49Å; R453-W463 HydrophobicContact CG-CE3 3.85Å; R453-W463 HydrophobicContact CG-CH2 3.58Å; R453-W463 HydrophobicContact CG-CZ2 3.45Å; R453-W463 VanDerWaalsContact CG-CZ2 3.45Å; R453-W463 HydrophobicContact CG-CZ3 3.76Å; R453-W463 PolarHBondContact O-NE1 2.85Å; F458-W463 HydrophobicContact CB-CZ2 3.83Å; F458-W463 HydrophobicContact CD1-CH2 4.15Å; F458-W463 HydrophobicContact CD1-CZ2 4.19Å; F458-W463 HydrophobicContact CD2-CZ2 4.44Å; F458-W463 HydrophobicContact CG-CH2 4.24Å; F458-W463 AromaticContact CG-CZ2 3.91Å; F458-W463 HydrophobicContact CG-CZ2 3.91Å; I461-W463 HydrophobicContact CG2-CD2 4.02Å; I461-W463 HydrophobicContact CG2-CE3 4.47Å; I461-W463 HydrophobicContact CG2-CG 4.32Å; I461-W463 HydrophobicContact CG2-CZ2 4.2Å; W463-V466 PolarHBondContact O-N 2.92Å; W463-Y467 PolarHBondContact O-N 2.9Å
464Q89.4Confident95.1Very high94 Ų9462.4 Ų62.444%0.43933%0.327SS..Hα-helixtrans-69.9-40.5173.7-174.762.818.900110.2D462 V466 Y467 L468D462-Q464 VanDerWaalsContact C-N 3.27Å; D462-Q464 PolarHBondContact O-N 2.81Å; D462-Q464 WeakPolarHBondContact OD1-CB 3.21Å; D462-Q464 PolarHBondContact OD1-N 3.32Å; Q464-V466 VanDerWaalsContact C-N 3.29Å; Q464-V466 PolarHBondContact O-N 2.97Å; Q464-Y467 PolarHBondContact O-N 3.36Å; Q464-L468 HydrophobicContact CG-CD1 4.12Å; Q464-L468 WeakPolarHBondContact O-CB 3.39Å; Q464-L468 WeakPolarHBondContact O-CG 3.37Å; Q464-L468 PolarHBondContact O-N 2.69Å
465Q91.2Very high94.8Very high37 Ų3758.2 Ų58.217%0.17331%0.307CS..Hα-helixtrans-67.2-30.9174.8-63.5-59-54.700112.3D96 D462 Q469 K470 Y471D96-Q465 PolarHBondContact OD1-NE2 2.95Å; D462-Q465 HydrophobicContact CB-CB 4.06Å; D462-Q465 HydrophobicContact CB-CG 3.88Å; D462-Q465 WeakPolarHBondContact O-CB 3.35Å; D462-Q465 PolarHBondContact O-N 2.73Å; D462-Q465 VanDerWaalsContact O-N 3.16Å; D462-Q465 PolarHBondContact OD1-N 2.84Å; Q465-Q469 PolarHBondContact O-N 2.94Å; Q465-K470 HydrophobicContact CB-CB 4.31Å; Q465-K470 WeakPolarHBondContact O-CB 3.4Å; Q465-K470 PolarHBondContact O-N 3.44Å; Q465-K470 VanDerWaalsContact OE1-CG 3.3Å; Q465-Y471 HydrophobicContact CB-CD2 4.24Å; Q465-Y471 HydrophobicContact CB-CE2 3.65Å
466V95.9Very high94.5Very high5 Ų562.6 Ų62.63%0.0333%0.33CS..Hα-helixtrans-63.8-53.3168.3-176.80000109.7F258 A304 E305 L308 I461 D462 W463 Q464 L468 Q469 Y471F258-V466 HydrophobicContact CZ-CG1 4.22Å; F258-V466 WeakPolarHBondContact CZ-O 3.26Å; A304-V466 HydrophobicContact CB-CG1 4.04Å; A304-V466 HydrophobicContact CB-CG2 4.18Å; E305-V466 HydrophobicContact CG-CG1 4.05Å; L308-V466 HydrophobicContact CD1-CB 3.97Å; L308-V466 HydrophobicContact CD1-CG1 3.67Å; I461-V466 HydrophobicContact CG2-CG2 3.54Å; D462-V466 PolarHBondContact O-N 2.93Å; D462-V466 VanDerWaalsContact O-N 3.09Å; W463-V466 PolarHBondContact O-N 2.92Å; Q464-V466 VanDerWaalsContact C-N 3.29Å; Q464-V466 PolarHBondContact O-N 2.97Å; V466-L468 PolarHBondContact O-N 2.89Å; V466-Q469 WeakPolarHBondContact O-CA 3.4Å; V466-Q469 PolarHBondContact O-N 2.82Å; V466-Y471 HydrophobicContact CB-CD2 4.42Å; V466-Y471 HydrophobicContact CG2-CD2 3.7Å; V466-Y471 HydrophobicContact CG2-CE2 3.56Å
467Y93.5Very high94Very high88 Ų8859 Ų5935%0.34531%0.307SS..Hα-helixtrans-53.7-39.7179.6-173.8-92.7000112.9G255 P257 F258 W463 Q464 Q469G255-Y467 PolarHBondContact O-OH 2.89Å; G255-Y467 VanDerWaalsContact O-OH 3.11Å; P257-Y467 HydrophobicContact CG-CD2 4.38Å; P257-Y467 HydrophobicContact CG-CE2 4.23Å; P257-Y467 WeakPolarHBondContact CG-O 3.45Å; F258-Y467 AromaticContact CE2-CD2 3.97Å; F258-Y467 HydrophobicContact CE2-CD2 3.97Å; W463-Y467 PolarHBondContact O-N 2.9Å; Q464-Y467 PolarHBondContact O-N 3.36Å; Y467-Q469 PolarHBondContact O-N 2.87Å
468L91.4Very high93.3Very high54 Ų5461.4 Ų61.428%0.28332%0.323SS..THydrogen-bonded Turntrans-81.25.4177.7-64.7174000114.3D96 Q464 V466 K470D96-L468 WeakPolarHBondContact OD1-CD1 3.43Å; Q464-L468 HydrophobicContact CG-CD1 4.12Å; Q464-L468 WeakPolarHBondContact O-CB 3.39Å; Q464-L468 WeakPolarHBondContact O-CG 3.37Å; Q464-L468 PolarHBondContact O-N 2.69Å; V466-L468 PolarHBondContact O-N 2.89Å; L468-K470 VanDerWaalsContact C-N 3.35Å; L468-K470 HydrophobicContact CB-CG 3.87Å; L468-K470 PolarHBondContact O-N 3.41Å
469Q95Very high92.4Very high53 Ų5368.8 Ų68.825%0.24835%0.351CS..THydrogen-bonded Turntrans55.645.1178.5-58.8-175.7-8100112.5P257 F258 H335 Q465 V466 Y467P257-Q469 HydrophobicContact CB-CG 4.33Å; F258-Q469 HydrophobicContact CE1-CG 4.29Å; H335-Q469 PolarHBondContact CE1-O 3.14Å; H335-Q469 VanDerWaalsContact CG-NE2 3.32Å; Q465-Q469 PolarHBondContact O-N 2.94Å; V466-Q469 WeakPolarHBondContact O-CA 3.4Å; V466-Q469 PolarHBondContact O-N 2.82Å; Y467-Q469 PolarHBondContact O-N 2.87Å
470K93.7Very high91.3Very high124 Ų12462.8 Ų62.854%0.53934%0.342SS..  trans-97.1-19-176.5-61.4-61.2-172179.40114.5Q465 L468Q465-K470 HydrophobicContact CB-CB 4.31Å; Q465-K470 WeakPolarHBondContact O-CB 3.4Å; Q465-K470 PolarHBondContact O-N 3.44Å; Q465-K470 VanDerWaalsContact OE1-CG 3.3Å; L468-K470 VanDerWaalsContact C-N 3.35Å; L468-K470 HydrophobicContact CB-CG 3.87Å; L468-K470 PolarHBondContact O-N 3.41Å
471Y95Very high90.5Very high68 Ų6864.8 Ų64.827%0.26733%0.331SS..SBendtrans-69.1136.5173.3-76.2-90.5000110.2H335 I461 D462 Q465 V466 P473H335-Y471 PolarHBondContact CE1-O 3.35Å; I461-Y471 HydrophobicContact CD1-CE1 4.24Å; D462-Y471 PolarHBondContact N-OH 3.49Å; D462-Y471 WeakPolarHBondContact O-CE2 3.13Å; Q465-Y471 HydrophobicContact CB-CD2 4.24Å; Q465-Y471 HydrophobicContact CB-CE2 3.65Å; V466-Y471 HydrophobicContact CB-CD2 4.42Å; V466-Y471 HydrophobicContact CG2-CD2 3.7Å; V466-Y471 HydrophobicContact CG2-CE2 3.56Å; Y471-P473 WeakPolarHBondContact O-CD 3.27Å
472P96.1Very high89.6Confident108 Ų10864.7 Ų64.770%0.70133%0.332SS*.PPolyproline II helixtrans-68.5124.6176.827.6-32.7000109.9
473P96.6Very high88.8Confident23 Ų2361.8 Ų61.815%0.14932%0.317CS..PPolyproline II helixtrans-63141.7175.8-26.238.5000111.4F301 Y333 Y471 L475F301-P473 HydrophobicContact CE1-CB 4.01Å; F301-P473 HydrophobicContact CE1-CG 4.39Å; F301-P473 HydrophobicContact CE2-CB 4.41Å; F301-P473 HydrophobicContact CE2-CG 4.25Å; F301-P473 HydrophobicContact CZ-CB 3.78Å; F301-P473 HydrophobicContact CZ-CG 3.71Å; Y333-P473 VanDerWaalsContact O-CG 3.29Å; Y333-P473 WeakPolarHBondContact O-CG 3.23Å; Y471-P473 WeakPolarHBondContact O-CD 3.27Å; P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 2.9Å
474P94.4Very high87.8Confident47 Ų4760.9 Ų60.931%0.30532%0.317SS..SBendtrans-71-27.4-178.727.5-33.7000112.8E298 F301 Y302E298-P474 HydrophobicContact CB-CB 3.84Å; E298-P474 HydrophobicContact CB-CG 4.01Å; E298-P474 HydrophobicContact CG-CB 3.53Å; E298-P474 HydrophobicContact CG-CG 4.27Å; F301-P474 HydrophobicContact CB-CG 4.36Å; F301-P474 HydrophobicContact CD1-CG 4.02Å; F301-P474 HydrophobicContact CG-CG 4.33Å; Y302-P474 HydrophobicContact CD2-CG 4.45Å; Y302-P474 HydrophobicContact CE1-CG 4.26Å; Y302-P474 HydrophobicContact CE2-CG 3.68Å
475L92.3Very high86.8Confident20 Ų2058.7 Ų58.711%0.10532%0.316CS..  trans-127120.4178.5-17771000109.1H287 H291 Y302 L330 G334 P473H287-L475 HydrophobicContact CB-CD2 3.62Å; H287-L475 VanDerWaalsContact ND1-CD2 3.31Å; H287-L475 WeakPolarHBondContact ND1-CD2 3.11Å; H291-L475 VanDerWaalsContact CE1-CD1 3.49Å; H291-L475 WeakPolarHBondContact CE1-CD1 3.47Å; H291-L475 WeakPolarHBondContact NE2-CD1 3.46Å; Y302-L475 WeakPolarHBondContact OH-CB 3.46Å; L330-L475 HydrophobicContact CD2-CD2 4.37Å; G334-L475 WeakPolarHBondContact CA-O 3.29Å; P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 2.9Å
476I91.9Very high85.6Confident106 Ų10661.6 Ų61.654%0.54433%0.332SS..PPolyproline II helixtrans-101.7116.5170.5-58178.6000107
477P88.1Confident84.1Confident2 Ų263.3 Ų63.31%0.01335%0.347CS..PPolyproline II helixtrans-57.9142.4178.4-26.536000112L330 R479 N483L330-P477 HydrophobicContact CB-CG 4.24Å; L330-P477 HydrophobicContact CD2-CG 4.11Å; P477-R479 PolarHBondContact O-N 2.85Å; P477-N483 WeakPolarHBondContact CB-ND2 3.36Å
478P83.7Confident82.6Confident54 Ų5467.4 Ų67.435%0.35137%0.367SS..PPolyproline II helixtrans-51.4130.9176.4-2733.9000112.3E481 N483P478-E481 HydrophobicContact CB-CB 4.12Å; P478-E481 HydrophobicContact CB-CG 4.19Å; P478-E481 WeakPolarHBondContact CB-OE2 3.43Å; P478-N483 WeakPolarHBondContact CD-OD1 3.5Å; P478-N483 PolarHBondContact O-ND2 3.26Å
479R78.5Confident81.5Confident157 Ų15770.3 Ų70.359%0.59238%0.382SS*.THydrogen-bonded Turntrans-89.1143.8178.5-71.8-175.1173.6-179.1-2.8110.7P477 E481P477-R479 PolarHBondContact O-N 2.85Å; R479-E481 PolarHBondContact O-N 3.43Å
480G73.5Confident80.1Confident62 Ų6268.6 Ų68.664%0.63938%0.375SS*.THydrogen-bonded Turntrans77.55.5-175.900000112.9L14L14-G480 VanDerWaalsContact CD1-O 3.24Å; L14-G480 WeakPolarHBondContact CD1-O 3.3Å
481E78.4Confident78.9Confident116 Ų11664.1 Ų64.154%0.54236%0.364SS..SBendtrans-113.8156.8175-67.2-179.7-161.400110.5P478 R479 N483P478-E481 HydrophobicContact CB-CB 4.12Å; P478-E481 HydrophobicContact CB-CG 4.19Å; P478-E481 WeakPolarHBondContact CB-OE2 3.43Å; R479-E481 PolarHBondContact O-N 3.43Å; E481-N483 PolarHBondContact O-N 3.03Å
482V75.3Confident77.9Confident28 Ų2865.8 Ų65.817%0.1739%0.385CS..  trans-85.695.4175.51420000107.2D10 Y13 L14 A484D10-V482 HydrophobicContact CB-CG2 3.99Å; Y13-V482 HydrophobicContact CD1-CG2 4.1Å; L14-V482 HydrophobicContact CD1-CG2 4.44Å; L14-V482 HydrophobicContact CD2-CG2 4.4Å; L14-V482 HydrophobicContact CG-CG2 4.25Å; V482-A484 PolarHBondContact O-N 3.47Å
483N77.7Confident77Confident13 Ų1362.9 Ų62.97%0.0736%0.362CS..  trans-82.947178.7-53.3-55.8000111.7N280 G282 P477 P478 E481N280-N483 WeakPolarHBondContact O-CB 3.39Å; N280-N483 PolarHBondContact O-ND2 2.86Å; G282-N483 WeakPolarHBondContact CA-O 3.26Å; G282-N483 PolarHBondContact N-O 3.47Å; P477-N483 WeakPolarHBondContact CB-ND2 3.36Å; P478-N483 WeakPolarHBondContact CD-OD1 3.5Å; P478-N483 PolarHBondContact O-ND2 3.26Å; E481-N483 PolarHBondContact O-N 3.03Å
484A72.4Confident76.2Confident19 Ų1965.9 Ų65.916%0.15738%0.377CS..SBendtrans-133.3161.5171.300000107.9I201 V482 D486I201-A484 HydrophobicContact CB-CB 4.45Å; V482-A484 PolarHBondContact O-N 3.47Å; A484-D486 PolarHBondContact O-N 2.87Å
485A67.9Low75.6Confident49 Ų4971.4 Ų71.441%0.40540%0.398SS..  trans-49.2144.2173.500000110.8R199 A487 I490R199-A485 PolarHBondContact NH2-O 2.79Å; A485-A487 PolarHBondContact O-N 2.87Å; A485-I490 HydrophobicContact CB-CD1 4.47Å; A485-I490 HydrophobicContact CB-CG1 3.84Å; A485-I490 WeakPolarHBondContact O-CD1 3.46Å
486D67.3Low75.2Confident98 Ų9876.5 Ų76.552%0.52442%0.421SS..  trans-53.9140.1177.1-89.9-43.1000109.4A484 F488 D489 I490A484-D486 PolarHBondContact O-N 2.87Å; D486-F488 PolarHBondContact O-N 2.73Å; D486-D489 HydrophobicContact CB-CB 4.32Å; D486-D489 PolarHBondContact O-N 2.89Å; D486-I490 WeakPolarHBondContact O-CG1 3.22Å; D486-I490 PolarHBondContact O-N 3.06Å
487A63.7Low74.8Confident41 Ų4175.2 Ų75.234%0.33942%0.416SS..Hα-helixtrans-55-27.5-178.300000112.1A6 A485A6-A487 HydrophobicContact CB-CB 4.34Å; A485-A487 PolarHBondContact O-N 2.87Å
488F62.4Low74.8Confident174 Ų17475.8 Ų75.876%0.76342%0.419SS*.Hα-helixtrans-70.2-45.3173.6-165.4-95.3000113D486 I490 G491D486-F488 PolarHBondContact O-N 2.73Å; F488-I490 VanDerWaalsContact C-N 3.28Å; F488-I490 PolarHBondContact O-N 3.39Å; F488-G491 PolarHBondContact O-N 3.42Å
489D67.1Low74.9Confident114 Ų11480.8 Ų80.861%0.6144%0.436SS*.Hα-helixtrans-69.5-28-179.7-69.5-15.6000112.5D486 G491D486-D489 HydrophobicContact CB-CB 4.32Å; D486-D489 PolarHBondContact O-N 2.89Å; D489-G491 PolarHBondContact O-N 2.89Å
490I66.6Low75.4Confident18 Ų1876.9 Ų76.99%0.09244%0.444CS..Hα-helixtrans-60.9-32.3172.1-64.5176.3000110.5I200 R203 A485 D486 F488I200-I490 HydrophobicContact CG2-CD1 3.99Å; I200-I490 HydrophobicContact CG2-CG2 4.02Å; R203-I490 HydrophobicContact CB-CG2 3.54Å; R203-I490 WeakPolarHBondContact CD-O 3.14Å; R203-I490 HydrophobicContact CG-CG2 4.31Å; R203-I490 PolarHBondContact NH1-O 3.07Å; A485-I490 HydrophobicContact CB-CD1 4.47Å; A485-I490 HydrophobicContact CB-CG1 3.84Å; A485-I490 WeakPolarHBondContact O-CD1 3.46Å; D486-I490 WeakPolarHBondContact O-CG1 3.22Å; D486-I490 PolarHBondContact O-N 3.06Å; F488-I490 VanDerWaalsContact C-N 3.28Å; F488-I490 PolarHBondContact O-N 3.39Å
491G67.3Low76.4Confident29 Ų2975.7 Ų75.730%0.29942%0.423SS..  trans68.3168.1-177.100000113.7R203 F488 D489R203-G491 PolarHBondContact NH1-O 3.09Å; R203-G491 VanDerWaalsContact NH1-O 3.11Å; F488-G491 PolarHBondContact O-N 3.42Å; D489-G491 PolarHBondContact O-N 2.89Å
492S74.7Confident77.1Confident103 Ų10378.5 Ų78.572%0.7243%0.433SS*.  trans-107.1152.2177.761.70000112.1R203R203-S492 PolarHBondContact NH2-O 3.35Å
493F77.8Confident78.1Confident47 Ų4779.1 Ų79.121%0.20644%0.435CS..  trans-77.4128.7172.5-85-57.3000109.5R203 G204 E208 R230 E495R203-F493 HydrophobicContact CG-CE2 4.07Å; R203-F493 HydrophobicContact CG-CZ 4.07Å; G204-F493 WeakPolarHBondContact O-CZ 3.34Å; E208-F493 HydrophobicContact CG-CD2 4.08Å; E208-F493 HydrophobicContact CG-CE2 3.83Å; E208-F493 WeakPolarHBondContact OE1-CD2 3.5Å; R230-F493 VanDerWaalsContact NH2-CB 3.34Å; F493-E495 PolarHBondContact O-N 3.07Å
494D79.6Confident79Confident87 Ų8781.8 Ų81.847%0.46545%0.452SS..  trans-71.3117174.2-165-21.5000109.1R230 E496 D497R230-D494 PolarHBondContact NH2-O 2.85Å; D494-E496 PolarHBondContact O-N 3.46Å; D494-E496 VanDerWaalsContact OD1-CB 3.3Å; D494-E496 WeakPolarHBondContact OD1-CB 3.21Å; D494-E496 WeakPolarHBondContact OD1-CG 3.18Å; D494-E496 PolarHBondContact OD1-N 3.02Å; D494-D497 WeakPolarHBondContact O-CB 3.42Å; D494-D497 PolarHBondContact O-N 3.44Å
495E80.7Confident80.1Confident163 Ų16389.3 Ų89.376%0.76248%0.484SS*.G310 helixtrans-62.9-24.2177.6-67.7-169.5167.400111.7F493 D497 T498 K499F493-E495 PolarHBondContact O-N 3.07Å; E495-D497 VanDerWaalsContact C-N 3.26Å; E495-D497 PolarHBondContact O-N 3.26Å; E495-T498 PolarHBondContact O-N 3.38Å; E495-T498 PolarHBondContact O-OG1 3.18Å; E495-K499 PolarHBondContact O-N 3.18Å
496E83.9Confident81.4Confident126 Ų12690.4 Ų90.459%0.58949%0.493SS*.G310 helixtrans-62-32.7178.1-61.2-127.9122.500112.6D494 T498 K499D494-E496 PolarHBondContact O-N 3.46Å; D494-E496 VanDerWaalsContact OD1-CB 3.3Å; D494-E496 WeakPolarHBondContact OD1-CB 3.21Å; D494-E496 WeakPolarHBondContact OD1-CG 3.18Å; D494-E496 PolarHBondContact OD1-N 3.02Å; E496-T498 PolarHBondContact O-N 2.9Å; E496-T498 VanDerWaalsContact O-N 3.11Å; E496-K499 PolarHBondContact O-N 3.44Å; E496-K499 IonicContact OE1-NZ 2.75Å; E496-K499 PolarHBondContact OE1-NZ 3.04Å
497D84Confident82.8Confident79 Ų7986.8 Ų86.842%0.42247%0.473SS..G310 helixtrans-53.8-35.2177.4-67.8-21.5000112.3R230 M233 D494 E495R230-D497 IonicContact CZ-OD2 3.9Å; R230-D497 IonicContact NH1-OD2 2.82Å; R230-D497 PolarHBondContact NH1-OD2 3.25Å; R230-D497 IonicContact NH2-OD2 2.85Å; R230-D497 PolarHBondContact NH2-OD2 2.96Å; M233-D497 HydrophobicContact CE-CB 4.47Å; M233-D497 HydrophobicContact SD-CB 4.4Å; D494-D497 WeakPolarHBondContact O-CB 3.42Å; D494-D497 PolarHBondContact O-N 3.44Å; E495-D497 VanDerWaalsContact C-N 3.26Å; E495-D497 PolarHBondContact O-N 3.26Å
498T87.8Confident84.4Confident15 Ų1587.6 Ų87.69%0.09247%0.47CS..G310 helixtrans-107.5-4.9-170.565.40000113.7K229 R230 E495 E496 G500 I501K229-T498 HydrophobicContact CB-CG2 4.11Å; R230-T498 HydrophobicContact CG-CG2 3.52Å; E495-T498 PolarHBondContact O-N 3.38Å; E495-T498 PolarHBondContact O-OG1 3.18Å; E496-T498 PolarHBondContact O-N 2.9Å; E496-T498 VanDerWaalsContact O-N 3.11Å; T498-G500 PolarHBondContact O-N 3.28Å; T498-G500 VanDerWaalsContact O-N 3.1Å; T498-I501 PolarHBondContact O-N 2.9Å
499K85.8Confident86Confident159 Ų15981.7 Ų81.769%0.69145%0.454SS*.THydrogen-bonded Turntrans-57.3-30.9-171.5-135.8177.2-165.3170.40113.3E495 E496E495-K499 PolarHBondContact O-N 3.18Å; E496-K499 PolarHBondContact O-N 3.44Å; E496-K499 IonicContact OE1-NZ 2.75Å; E496-K499 PolarHBondContact OE1-NZ 3.04Å
500G90.3Very high87.4Confident75 Ų7580.4 Ų80.477%0.77345%0.446SS*.THydrogen-bonded Turntrans-87.1-8.1178.100000115.3T498T498-G500 PolarHBondContact O-N 3.28Å; T498-G500 VanDerWaalsContact O-N 3.1Å
501I93Very high88.9Confident36 Ų3679.7 Ų79.719%0.18544%0.443CS..  trans-95.8118.8-170.4-57.7-177.9000110K229 K232 M233 T498K229-I501 HydrophobicContact CB-CB 4.23Å; K229-I501 HydrophobicContact CB-CG2 4.03Å; K229-I501 HydrophobicContact CG-CG2 4.34Å; K232-I501 HydrophobicContact CB-CG2 4.41Å; K232-I501 HydrophobicContact CD-CG2 3.98Å; K232-I501 HydrophobicContact CG-CG2 4.31Å; M233-I501 HydrophobicContact CB-CD1 3.34Å; M233-I501 HydrophobicContact CG-CD1 3.54Å; M233-I501 HydrophobicContact SD-CD1 3.89Å; T498-I501 PolarHBondContact O-N 2.9Å
502K94.9Very high90.2Very high175 Ų17584.8 Ų84.876%0.76146%0.459SS*.  trans-104.2136.9173.7-64.7-174.9-179.7-179.40110.8K232K232-K502 PolarHBondContact NZ-O 2.89Å
503L95.7Very high91.1Very high42 Ų4286 Ų8622%0.2246%0.457CS..  trans-86.6123.9170.7-61.2171.4000108.7K228 K229 K232 D507K228-L503 HydrophobicContact CB-CD1 3.7Å; K228-L503 HydrophobicContact CB-CD2 3.86Å; K228-L503 HydrophobicContact CB-CG 4.45Å; K228-L503 HydrophobicContact CD-CD1 4.28Å; K229-L503 HydrophobicContact CG-CD1 4.22Å; K229-L503 HydrophobicContact CG-CD2 4.42Å; K229-L503 HydrophobicContact CG-CG 4.1Å; K232-L503 HydrophobicContact CD-CD2 4.35Å; L503-D507 HydrophobicContact CD2-CB 4.42Å
504T96.2Very high92.1Very high68 Ų6883.8 Ų83.842%0.41745%0.448SS..  trans-94.7167.8176.767.10000110.3A506 D507 Q508T504-A506 PolarHBondContact O-N 3.31Å; T504-D507 WeakPolarHBondContact CB-OD2 3.46Å; T504-D507 PolarHBondContact N-OD2 3.34Å; T504-D507 WeakPolarHBondContact O-CB 3.41Å; T504-D507 PolarHBondContact O-N 2.82Å; T504-D507 VanDerWaalsContact O-N 3.16Å; T504-D507 PolarHBondContact OG1-N 3.11Å; T504-D507 PolarHBondContact OG1-OD2 2.95Å; T504-Q508 PolarHBondContact O-N 3.35Å; T504-Q508 VanDerWaalsContact O-N 3.14Å
505E95.6Very high92.9Very high178 Ų17882.3 Ų82.383%0.83244%0.444SS*.Hα-helixtrans-61.2-35173.4-67.4-178.3174.200112.2D507 Q508 A509E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 3.34Å; E505-Q508 PolarHBondContact O-N 2.89Å; E505-A509 WeakPolarHBondContact O-CB 3.43Å; E505-A509 PolarHBondContact O-N 3.07Å
506A96.2Very high93.6Very high71 Ų7177.4 Ų77.459%0.58742%0.422SS*.Hα-helixtrans-61.9-39.6174.800000111.7T504 Q508 A509 L510T504-A506 PolarHBondContact O-N 3.31Å; A506-Q508 VanDerWaalsContact C-N 3.35Å; A506-A509 PolarHBondContact O-N 3.24Å; A506-L510 PolarHBondContact O-N 3.11Å
507D96.4Very high94.3Very high22 Ų2273.2 Ų73.212%0.11841%0.405CS..Hα-helixtrans-65.7-39.2175.7-54.2-52.6000111.2K232 L503 T504 E505 L510 Y511K232-D507 IonicContact NZ-OD1 2.67Å; K232-D507 PolarHBondContact NZ-OD1 2.67Å; K232-D507 IonicContact NZ-OD2 3.06Å; K232-D507 PolarHBondContact NZ-OD2 3.47Å; L503-D507 HydrophobicContact CD2-CB 4.42Å; T504-D507 WeakPolarHBondContact CB-OD2 3.46Å; T504-D507 PolarHBondContact N-OD2 3.34Å; T504-D507 WeakPolarHBondContact O-CB 3.41Å; T504-D507 PolarHBondContact O-N 2.82Å; T504-D507 VanDerWaalsContact O-N 3.16Å; T504-D507 PolarHBondContact OG1-N 3.11Å; T504-D507 PolarHBondContact OG1-OD2 2.95Å; E505-D507 VanDerWaalsContact C-N 3.31Å; E505-D507 PolarHBondContact O-N 3.34Å; D507-L510 WeakPolarHBondContact O-CB 3.49Å; D507-L510 PolarHBondContact O-N 3.4Å; D507-Y511 WeakPolarHBondContact O-CD2 3.5Å; D507-Y511 VanDerWaalsContact O-CE2 3.29Å; D507-Y511 WeakPolarHBondContact O-CE2 3.45Å
508Q96.3Very high94.9Very high58 Ų5869.7 Ų69.727%0.27139%0.387SS..Hα-helixtrans-68.9-35.3177.3-62.1-64.8-16.100112.1P269 T504 E505 A506 L510 Y511 Q512P269-Q508 PolarHBondContact O-NE2 3.48Å; T504-Q508 PolarHBondContact O-N 3.35Å; T504-Q508 VanDerWaalsContact O-N 3.14Å; E505-Q508 PolarHBondContact O-N 2.89Å; A506-Q508 VanDerWaalsContact C-N 3.35Å; Q508-L510 PolarHBondContact O-N 3.31Å; Q508-Y511 PolarHBondContact O-N 3.09Å; Q508-Q512 PolarHBondContact O-N 3.46Å
509A96.6Very high95.2Very high51 Ų5170.9 Ų70.942%0.42140%0.396SS..Hα-helixtrans-61.4-30.3178.600000112.6E505 A506 Y511 Q512E505-A509 WeakPolarHBondContact O-CB 3.43Å; E505-A509 PolarHBondContact O-N 3.07Å; A506-A509 PolarHBondContact O-N 3.24Å; A509-Y511 PolarHBondContact O-N 3.46Å; A509-Q512 WeakPolarHBondContact O-CG 3.39Å; A509-Q512 PolarHBondContact O-N 2.93Å
510L96.7Very high95.6Very high86 Ų8666.4 Ų66.445%0.4538%0.377SS..THydrogen-bonded Turntrans-57.7-31.5173.4-63.4175.4000112.4E237 A506 D507 Q508E237-L510 HydrophobicContact CB-CD1 4.36Å; E237-L510 HydrophobicContact CG-CD1 3.97Å; A506-L510 PolarHBondContact O-N 3.11Å; D507-L510 WeakPolarHBondContact O-CB 3.49Å; D507-L510 PolarHBondContact O-N 3.4Å; Q508-L510 PolarHBondContact O-N 3.31Å
511Y97.2Very high95.9Very high4 Ų465 Ų652%0.01635%0.349CS..THydrogen-bonded Turntrans-101.77.5-174.7-51.5-59.8000113.4K228 I231 E237 L241 Q267 L272 D507 Q508 A509 N513 F514K228-Y511 HydrophobicContact CD-CD2 4.15Å; K228-Y511 HydrophobicContact CD-CE2 4.16Å; K228-Y511 HydrophobicContact CG-CE2 4.13Å; I231-Y511 WeakPolarHBondContact CG2-OH 3.3Å; E237-Y511 WeakPolarHBondContact CG-OH 3.5Å; L241-Y511 HydrophobicContact CD2-CD1 4.02Å; L241-Y511 HydrophobicContact CG-CD1 4.41Å; L241-Y511 HydrophobicContact CG-CE1 4.42Å; Q267-Y511 PolarHBondContact NE2-O 3.08Å; Q267-Y511 VanDerWaalsContact OE1-CB 3.27Å; L272-Y511 HydrophobicContact CD1-CD1 3.77Å; L272-Y511 HydrophobicContact CD1-CE1 3.63Å; L272-Y511 HydrophobicContact CD1-CG 4.46Å; L272-Y511 HydrophobicContact CD2-CD1 3.93Å; L272-Y511 HydrophobicContact CD2-CD2 4.39Å; L272-Y511 HydrophobicContact CD2-CG 3.87Å; L272-Y511 HydrophobicContact CG-CD1 4.44Å; D507-Y511 WeakPolarHBondContact O-CD2 3.5Å; D507-Y511 VanDerWaalsContact O-CE2 3.29Å; D507-Y511 WeakPolarHBondContact O-CE2 3.45Å; Q508-Y511 PolarHBondContact O-N 3.09Å; A509-Y511 PolarHBondContact O-N 3.46Å; Y511-N513 PolarHBondContact O-N 3.37Å; Y511-F514 WeakPolarHBondContact O-CB 3.43Å; Y511-F514 PolarHBondContact O-N 2.91Å
512Q94.5Very high96Very high135 Ų13563.6 Ų63.663%0.63134%0.341SS*.THydrogen-bonded Turntrans-55.5-31.4-174.269.2-177.8000114Q508 A509Q508-Q512 PolarHBondContact O-N 3.46Å; A509-Q512 WeakPolarHBondContact O-CG 3.39Å; A509-Q512 PolarHBondContact O-N 2.93Å
513N94.5Very high96.2Very high130 Ų13055.3 Ų55.370%0.69531%0.305SS*.THydrogen-bonded Turntrans-104.619.4179.3-61.9-30000112.7Y511Y511-N513 PolarHBondContact O-N 3.37Å
514F97.3Very high96.1Very high0 Ų056 Ų560%031%0.309CS..  trans-72.1-40-179.1-177.2-90.6000112.1L241 R244 A265 F266 Q267 L272 F274 Y511 L516L241-F514 HydrophobicContact CD2-CD2 4.38Å; R244-F514 HydrophobicContact CB-CD2 4.19Å; R244-F514 HydrophobicContact CB-CE2 3.86Å; R244-F514 WeakPolarHBondContact CD-O 3.48Å; R244-F514 HydrophobicContact CG-CD2 4.1Å; R244-F514 HydrophobicContact CG-CE2 4.01Å; R244-F514 HydrophobicContact CG-CZ 4.49Å; A265-F514 HydrophobicContact CB-CD1 4.24Å; A265-F514 HydrophobicContact CB-CE1 3.82Å; A265-F514 HydrophobicContact CB-CZ 4.27Å; A265-F514 WeakPolarHBondContact CB-O 3.48Å; F266-F514 VanDerWaalsContact O-CE1 3.26Å; F266-F514 WeakPolarHBondContact O-CE1 3.14Å; Q267-F514 HydrophobicContact CB-CD1 4.26Å; L272-F514 HydrophobicContact CB-CE1 3.93Å; L272-F514 HydrophobicContact CB-CE2 4.1Å; L272-F514 HydrophobicContact CB-CZ 3.69Å; L272-F514 HydrophobicContact CD1-CD2 4.16Å; L272-F514 HydrophobicContact CD1-CE2 3.92Å; L272-F514 HydrophobicContact CD1-CZ 4.37Å; L272-F514 HydrophobicContact CD2-CB 4.47Å; L272-F514 HydrophobicContact CD2-CD1 3.91Å; L272-F514 HydrophobicContact CD2-CD2 4.03Å; L272-F514 HydrophobicContact CD2-CE1 4.14Å; L272-F514 HydrophobicContact CD2-CE2 4.25Å; L272-F514 HydrophobicContact CD2-CG 3.85Å; L272-F514 HydrophobicContact CD2-CZ 4.31Å; L272-F514 HydrophobicContact CG-CE2 4.32Å; L272-F514 HydrophobicContact CG-CZ 4.34Å; F274-F514 HydrophobicContact CD1-CZ 4.19Å; F274-F514 HydrophobicContact CD2-CZ 4.35Å; F274-F514 AromaticContact CE1-CE2 3.95Å; F274-F514 HydrophobicContact CE1-CE2 3.95Å; F274-F514 AromaticContact CE1-CZ 3.63Å; F274-F514 HydrophobicContact CE1-CZ 3.63Å; F274-F514 HydrophobicContact CE2-CE2 4.28Å; F274-F514 AromaticContact CE2-CZ 3.8Å; F274-F514 HydrophobicContact CE2-CZ 3.8Å; F274-F514 AromaticContact CZ-CE2 3.6Å; F274-F514 HydrophobicContact CZ-CE2 3.6Å; F274-F514 AromaticContact CZ-CZ 3.43Å; F274-F514 HydrophobicContact CZ-CZ 3.43Å; F274-F514 VanDerWaalsContact CZ-CZ 3.43Å; Y511-F514 WeakPolarHBondContact O-CB 3.43Å; Y511-F514 PolarHBondContact O-N 2.91Å; F514-L516 PolarHBondContact O-N 3.29Å
515S96.6Very high96Very high56 Ų5652.8 Ų52.839%0.39229%0.289SS..  trans-65.1131.5-177.9-58.20000111.1A265A265-S515 CarbonylContact O-C 3.57Å; A265-S515 WeakPolarHBondContact O-CA 3.45Å
516L96.8Very high96.1Very high59 Ų5944.3 Ų44.331%0.30925%0.249SC..EExtended strand (participates in β ladder)trans-151.2143.6-178.2-17867.8000110.4M262 Y264 A265 F514 V518M262-L516 HydrophobicContact CE-CD2 3.81Å; Y264-L516 CarbonylContact C-O 3.43Å; Y264-L516 WeakPolarHBondContact CA-O 3.39Å; A265-L516 HydrophobicContact CB-CB 4.28Å; A265-L516 PolarHBondContact N-O 3.14Å; A265-L516 PolarHBondContact O-N 2.87Å; F514-L516 PolarHBondContact O-N 3.29Å; L516-V518 HydrophobicContact CD2-CG2 4.48Å
517V97Very high96Very high38 Ų3842.1 Ų42.123%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-113.7126.9164.5-178.90000108.1I188 Y264 S519 W522I188-V517 HydrophobicContact CB-CG2 3.83Å; I188-V517 HydrophobicContact CD1-CG1 4.07Å; I188-V517 HydrophobicContact CD1-CG2 4.19Å; I188-V517 HydrophobicContact CG2-CG2 3.61Å; Y264-V517 HydrophobicContact CD1-CB 4.42Å; Y264-V517 HydrophobicContact CD1-CG1 3.99Å; Y264-V517 HydrophobicContact CD1-CG2 4.14Å; Y264-V517 HydrophobicContact CE1-CG1 3.97Å; V517-S519 PolarHBondContact O-N 2.98Å; V517-W522 HydrophobicContact CG1-CB 3.78Å; V517-W522 HydrophobicContact CG1-CG 4.24Å
518V96.6Very high95.8Very high5 Ų546.8 Ų46.83%0.0325%0.252CS..  trans-82.6100.1171.2-175.20000107.7S251 T252 M262 T263 L516 E520 R521 W522S251-V518 WeakPolarHBondContact O-CG1 3.39Å; T252-V518 HydrophobicContact CG2-CG1 4.03Å; M262-V518 HydrophobicContact CE-CG2 4.18Å; M262-V518 WeakPolarHBondContact O-CG2 3.44Å; T263-V518 PolarHBondContact O-N 2.87Å; L516-V518 HydrophobicContact CD2-CG2 4.48Å; V518-E520 VanDerWaalsContact C-N 3.35Å; V518-E520 PolarHBondContact O-N 3.45Å; V518-R521 HydrophobicContact CB-CB 4.29Å; V518-R521 HydrophobicContact CB-CG 4.24Å; V518-R521 HydrophobicContact CG1-CB 4.31Å; V518-R521 HydrophobicContact CG1-CG 3.82Å; V518-R521 PolarHBondContact O-N 3.4Å; V518-W522 PolarHBondContact O-N 3.34Å
519S95.1Very high95.6Very high40 Ų4044.9 Ų44.928%0.2825%0.245SC..Hα-helixtrans-45.4-54.6-172.4176.90000112.8E185 V517 R521 W522 Q523E185-S519 WeakPolarHBondContact OE1-CB 3.41Å; E185-S519 PolarHBondContact OE1-OG 3.45Å; V517-S519 PolarHBondContact O-N 2.98Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 3.41Å; S519-W522 PolarHBondContact O-N 3.43Å; S519-Q523 WeakPolarHBondContact O-CB 3.26Å; S519-Q523 WeakPolarHBondContact O-CG 3.17Å; S519-Q523 PolarHBondContact O-N 2.86Å
520E94.3Very high95.6Very high66 Ų6642.7 Ų42.731%0.30823%0.226SC..Hα-helixtrans-55.7-44.5-179.7-176.8179175.500112.8G253 V518 Q523 L524G253-E520 VanDerWaalsContact CA-OE2 3.22Å; G253-E520 WeakPolarHBondContact CA-OE2 3.4Å; G253-E520 PolarHBondContact N-OE2 2.76Å; G253-E520 VanDerWaalsContact O-OE1 3.08Å; V518-E520 VanDerWaalsContact C-N 3.35Å; V518-E520 PolarHBondContact O-N 3.45Å; E520-Q523 PolarHBondContact O-N 3Å; E520-L524 HydrophobicContact CG-CD1 4.14Å; E520-L524 WeakPolarHBondContact O-CB 3.29Å; E520-L524 VanDerWaalsContact O-CG 3.27Å; E520-L524 WeakPolarHBondContact O-CG 3.21Å; E520-L524 PolarHBondContact O-N 2.82Å
521R95.7Very high95.5Very high44 Ų4439 Ų3917%0.16621%0.207CC..Hα-helixtrans-71.8-37.6-178.6-58.4-150.579.5175.23.4112.4C261 M262 T263 D277 V518 S519 E525C261-R521 PolarHBondContact O-NH1 3.38Å; C261-R521 VanDerWaalsContact O-NH1 3.11Å; M262-R521 VanDerWaalsContact O-CD 3.26Å; M262-R521 WeakPolarHBondContact O-CD 3.48Å; T263-R521 HydrophobicContact CG2-CB 3.8Å; D277-R521 VanDerWaalsContact CG-NH1 3.3Å; D277-R521 IonicContact OD1-CZ 3.07Å; D277-R521 VanDerWaalsContact OD1-CZ 3.28Å; D277-R521 IonicContact OD1-NH1 3.7Å; D277-R521 PolarHBondContact OD1-NH1 3.33Å; D277-R521 VanDerWaalsContact OD1-NH1 3.13Å; D277-R521 IonicContact OD1-NH2 2.86Å; D277-R521 PolarHBondContact OD1-NH2 3.01Å; D277-R521 IonicContact OD2-CZ 3.08Å; D277-R521 IonicContact OD2-NH1 3.56Å; D277-R521 PolarHBondContact OD2-NH1 3.09Å; D277-R521 IonicContact OD2-NH2 2.69Å; D277-R521 PolarHBondContact OD2-NH2 3.46Å; V518-R521 HydrophobicContact CB-CB 4.29Å; V518-R521 HydrophobicContact CB-CG 4.24Å; V518-R521 HydrophobicContact CG1-CB 4.31Å; V518-R521 HydrophobicContact CG1-CG 3.82Å; V518-R521 PolarHBondContact O-N 3.4Å; S519-R521 VanDerWaalsContact C-N 3.32Å; S519-R521 PolarHBondContact O-N 3.41Å; R521-E525 WeakPolarHBondContact O-CB 3.43Å; R521-E525 PolarHBondContact O-N 3.37Å
522W96.7Very high95.4Very high7 Ų744 Ų443%0.02723%0.234CC..Hα-helixtrans-63.5-45.4172.2172.882.2000111L63 W181 E185 I188 Y264 V517 V518 S519 L524 E525 I526L63-W522 HydrophobicContact CD1-CH2 3.96Å; L63-W522 HydrophobicContact CD1-CZ3 3.69Å; W181-W522 AromaticContact CE3-CH2 3.9Å; W181-W522 HydrophobicContact CE3-CH2 3.9Å; W181-W522 HydrophobicContact CE3-CZ2 4.21Å; W181-W522 HydrophobicContact CZ3-CZ2 4.45Å; E185-W522 HydrophobicContact CB-CE3 3.89Å; E185-W522 HydrophobicContact CB-CH2 3.66Å; E185-W522 HydrophobicContact CB-CZ2 4.32Å; E185-W522 HydrophobicContact CB-CZ3 3.43Å; E185-W522 VanDerWaalsContact CB-CZ3 3.43Å; E185-W522 HydrophobicContact CG-CD2 4.21Å; E185-W522 HydrophobicContact CG-CE3 3.54Å; E185-W522 HydrophobicContact CG-CH2 4.27Å; E185-W522 HydrophobicContact CG-CZ3 3.59Å; E185-W522 WeakPolarHBondContact OE2-CZ3 3.32Å; I188-W522 HydrophobicContact CD1-CD2 4.09Å; I188-W522 HydrophobicContact CD1-CG 3.96Å; I188-W522 HydrophobicContact CD1-CZ2 4.38Å; Y264-W522 HydrophobicContact CE1-CB 4.23Å; Y264-W522 AromaticContact CE1-CD1 3.88Å; Y264-W522 HydrophobicContact CE1-CG 4.43Å; Y264-W522 VanDerWaalsContact OH-CD1 3.31Å; V517-W522 HydrophobicContact CG1-CB 3.78Å; V517-W522 HydrophobicContact CG1-CG 4.24Å; V518-W522 PolarHBondContact O-N 3.34Å; S519-W522 PolarHBondContact O-N 3.43Å; W522-L524 VanDerWaalsContact C-N 3.34Å; W522-L524 PolarHBondContact O-N 3.4Å; W522-E525 WeakPolarHBondContact O-CB 3.48Å; W522-E525 PolarHBondContact O-N 3.34Å; W522-I526 HydrophobicContact CD2-CG1 4.02Å; W522-I526 HydrophobicContact CH2-CG1 4.29Å; W522-I526 HydrophobicContact CZ2-CD1 4.19Å; W522-I526 HydrophobicContact CZ2-CG1 3.72Å; W522-I526 WeakPolarHBondContact O-CG1 3.47Å; W522-I526 PolarHBondContact O-N 3.24Å
523Q97.2Very high95.3Very high2 Ų241.9 Ų41.91%0.00922%0.222CC..Hα-helixtrans-63.9-39.5178.6-69.9-164.817.200112.2E61 K62 L63 E185 S519 E520 I526 A527E61-Q523 PolarHBondContact OE2-NE2 2.96Å; K62-Q523 HydrophobicContact CB-CB 4Å; L63-Q523 HydrophobicContact CD1-CB 4.48Å; L63-Q523 HydrophobicContact CD1-CG 4.12Å; L63-Q523 HydrophobicContact CD2-CB 4.45Å; L63-Q523 HydrophobicContact CG-CB 3.89Å; L63-Q523 HydrophobicContact CG-CG 3.85Å; E185-Q523 PolarHBondContact OE2-NE2 3.47Å; S519-Q523 WeakPolarHBondContact O-CB 3.26Å; S519-Q523 WeakPolarHBondContact O-CG 3.17Å; S519-Q523 PolarHBondContact O-N 2.86Å; E520-Q523 PolarHBondContact O-N 3Å; Q523-I526 PolarHBondContact O-N 2.84Å; Q523-A527 VanDerWaalsContact O-CB 3.26Å; Q523-A527 WeakPolarHBondContact O-CB 3.45Å; Q523-A527 PolarHBondContact O-N 3.04Å
524L94.3Very high95.3Very high56 Ų5636.3 Ų36.329%0.29319%0.193SC..Hα-helixtrans-62.4-46.3172.6-75.3168.4000111.7K62 E520 W522 I526 A527 E528K62-L524 HydrophobicContact CD-CD2 4.33Å; K62-L524 HydrophobicContact CG-CD2 4.19Å; E520-L524 HydrophobicContact CG-CD1 4.14Å; E520-L524 WeakPolarHBondContact O-CB 3.29Å; E520-L524 VanDerWaalsContact O-CG 3.27Å; E520-L524 WeakPolarHBondContact O-CG 3.21Å; E520-L524 PolarHBondContact O-N 2.82Å; W522-L524 VanDerWaalsContact C-N 3.34Å; W522-L524 PolarHBondContact O-N 3.4Å; L524-I526 VanDerWaalsContact C-N 3.35Å; L524-I526 PolarHBondContact O-N 3.02Å; L524-A527 PolarHBondContact O-N 2.53Å; L524-E528 WeakPolarHBondContact O-CB 3.25Å; L524-E528 VanDerWaalsContact O-CG 3.25Å; L524-E528 WeakPolarHBondContact O-CG 3.29Å; L524-E528 PolarHBondContact O-N 2.79Å
525E95Very high95.3Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-54.1-50.9172.5168.7-175.8148.800111.1K214 T217 K219 Y221 Y264 R521 W522 A527 E528 T529K214-E525 WeakPolarHBondContact CD-OE1 3.42Å; K214-E525 IonicContact NZ-OE1 3.23Å; K214-E525 PolarHBondContact NZ-OE1 3.42Å; T217-E525 VanDerWaalsContact CB-OE1 3.27Å; T217-E525 WeakPolarHBondContact CB-OE1 3.24Å; T217-E525 HydrophobicContact CG2-CG 3.99Å; T217-E525 WeakPolarHBondContact CG2-OE1 3.41Å; T217-E525 PolarHBondContact OG1-OE1 3.08Å; K219-E525 HydrophobicContact CB-CG 4.17Å; K219-E525 HydrophobicContact CD-CB 3.8Å; K219-E525 HydrophobicContact CD-CG 3.58Å; K219-E525 HydrophobicContact CG-CG 4.48Å; Y221-E525 WeakPolarHBondContact CE2-OE2 3.29Å; Y221-E525 PolarHBondContact OH-OE2 3.25Å; Y264-E525 PolarHBondContact OH-OE1 3.13Å; Y264-E525 PolarHBondContact OH-OE2 2.81Å; R521-E525 WeakPolarHBondContact O-CB 3.43Å; R521-E525 PolarHBondContact O-N 3.37Å; W522-E525 WeakPolarHBondContact O-CB 3.48Å; W522-E525 PolarHBondContact O-N 3.34Å; E525-A527 PolarHBondContact O-N 2.96Å; E525-E528 PolarHBondContact O-N 3.4Å; E525-T529 VanDerWaalsContact O-CB 3.31Å; E525-T529 WeakPolarHBondContact O-CB 3.36Å; E525-T529 WeakPolarHBondContact O-CG2 3.2Å; E525-T529 PolarHBondContact O-N 3.07Å; E525-T529 VanDerWaalsContact O-N 3.14Å; E525-T529 PolarHBondContact O-OG1 2.89Å
526I96.5Very high95.2Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-61.3-46.4-179.4-67.3-63.1000111.1I32 L63 W181 T217 W522 Q523 L524 E528 T529 V530 F531I32-I526 HydrophobicContact CD1-CD1 3.62Å; L63-I526 HydrophobicContact CD1-CB 4.39Å; L63-I526 HydrophobicContact CD1-CG2 4Å; L63-I526 HydrophobicContact CD2-CB 4.36Å; L63-I526 HydrophobicContact CD2-CG2 4.02Å; W181-I526 HydrophobicContact CE3-CG2 4.11Å; W181-I526 HydrophobicContact CH2-CG2 3.6Å; W181-I526 HydrophobicContact CZ2-CG2 4.2Å; W181-I526 HydrophobicContact CZ3-CD1 4.11Å; W181-I526 HydrophobicContact CZ3-CG1 4.34Å; W181-I526 HydrophobicContact CZ3-CG2 3.56Å; T217-I526 HydrophobicContact CG2-CD1 3.77Å; W522-I526 HydrophobicContact CD2-CG1 4.02Å; W522-I526 HydrophobicContact CH2-CG1 4.29Å; W522-I526 HydrophobicContact CZ2-CD1 4.19Å; W522-I526 HydrophobicContact CZ2-CG1 3.72Å; W522-I526 WeakPolarHBondContact O-CG1 3.47Å; W522-I526 PolarHBondContact O-N 3.24Å; Q523-I526 PolarHBondContact O-N 2.84Å; L524-I526 VanDerWaalsContact C-N 3.35Å; L524-I526 PolarHBondContact O-N 3.02Å; I526-E528 PolarHBondContact O-N 2.8Å; I526-T529 PolarHBondContact O-N 3.18Å; I526-V530 HydrophobicContact CD1-CG2 3.87Å; I526-V530 HydrophobicContact CG2-CG2 4.47Å; I526-V530 PolarHBondContact O-N 3.41Å; I526-F531 HydrophobicContact CG2-CB 3.99Å; I526-F531 HydrophobicContact CG2-CD2 4.12Å; I526-F531 WeakPolarHBondContact O-CB 3.2Å; I526-F531 PolarHBondContact O-N 3.23Å
527A95.6Very high95Very high25 Ų2540 Ų4021%0.20720%0.203CC..Hα-helixtrans-60.7-40.5-179.800000113K62 L63 L66 Q523 L524 E525 T529K62-A527 HydrophobicContact CG-CB 3.87Å; L63-A527 HydrophobicContact CD2-CB 4.15Å; L66-A527 HydrophobicContact CD1-CB 3.8Å; Q523-A527 VanDerWaalsContact O-CB 3.26Å; Q523-A527 WeakPolarHBondContact O-CB 3.45Å; Q523-A527 PolarHBondContact O-N 3.04Å; L524-A527 PolarHBondContact O-N 2.53Å; E525-A527 PolarHBondContact O-N 2.96Å; A527-T529 VanDerWaalsContact C-N 3.33Å
528E91.9Very high94.9Very high121 Ų12138.9 Ų38.957%0.56520%0.197SC*.Hα-helixtrans-78-17.5-179.4-70.3169.117100113.5K219 L524 E525 I526K219-E528 IonicContact NZ-OE2 2.83Å; K219-E528 PolarHBondContact NZ-OE2 2.94Å; L524-E528 WeakPolarHBondContact O-CB 3.25Å; L524-E528 VanDerWaalsContact O-CG 3.25Å; L524-E528 WeakPolarHBondContact O-CG 3.29Å; L524-E528 PolarHBondContact O-N 2.79Å; E525-E528 PolarHBondContact O-N 3.4Å; I526-E528 PolarHBondContact O-N 2.8Å
529T92.5Very high94.8Very high18 Ų1841.4 Ų41.411%0.1121%0.211CC..Hα-helixtrans-114.6-75.1-17062.90000112.2P24 A25 K219 E525 I526 A527P24-T529 HydrophobicContact CB-CG2 3.24Å; P24-T529 HydrophobicContact CG-CG2 3.76Å; A25-T529 WeakPolarHBondContact CB-O 3.34Å; K219-T529 HydrophobicContact CB-CG2 4.46Å; E525-T529 VanDerWaalsContact O-CB 3.31Å; E525-T529 WeakPolarHBondContact O-CB 3.36Å; E525-T529 WeakPolarHBondContact O-CG2 3.2Å; E525-T529 PolarHBondContact O-N 3.07Å; E525-T529 VanDerWaalsContact O-N 3.14Å; E525-T529 PolarHBondContact O-OG1 2.89Å; I526-T529 PolarHBondContact O-N 3.18Å; A527-T529 VanDerWaalsContact C-N 3.33Å
530V94.7Very high94.7Very high5 Ų545.5 Ų45.53%0.0322%0.223CC..THydrogen-bonded Turntrans-117.8-8.5-159.8-63.80000114.4A25 I32 T217 I526 D532 F533 V534A25-V530 HydrophobicContact CB-CG1 4.01Å; I32-V530 HydrophobicContact CD1-CG2 3.95Å; T217-V530 HydrophobicContact CG2-CG2 4.06Å; I526-V530 HydrophobicContact CD1-CG2 3.87Å; I526-V530 HydrophobicContact CG2-CG2 4.47Å; I526-V530 PolarHBondContact O-N 3.41Å; V530-D532 PolarHBondContact O-N 2.8Å; V530-F533 PolarHBondContact O-N 2.85Å; V530-V534 HydrophobicContact CB-CG2 3.96Å; V530-V534 HydrophobicContact CG2-CG2 4.18Å; V530-V534 WeakPolarHBondContact O-CB 3.26Å; V530-V534 VanDerWaalsContact O-CG2 3.31Å; V530-V534 WeakPolarHBondContact O-CG2 3.3Å; V530-V534 PolarHBondContact O-N 3.31Å
531F95.8Very high94.4Very high9 Ų946.2 Ų46.24%0.03923%0.229CC..Hα-helixtrans-50.2-56.1-172.4-179.3-104000113.5L63 L66 L67 W181 I526 F533 V534 N535L63-F531 HydrophobicContact CB-CE2 4.37Å; L63-F531 HydrophobicContact CD2-CD2 3.66Å; L63-F531 HydrophobicContact CD2-CE2 3.87Å; L63-F531 HydrophobicContact CD2-CG 4.35Å; L63-F531 HydrophobicContact CG-CE2 4.5Å; L66-F531 HydrophobicContact CB-CE1 3.8Å; L66-F531 HydrophobicContact CB-CZ 3.86Å; L66-F531 HydrophobicContact CD1-CD1 3.97Å; L66-F531 HydrophobicContact CD1-CE1 3.91Å; L66-F531 HydrophobicContact CD1-CG 4.45Å; L66-F531 HydrophobicContact CD1-CZ 4.31Å; L66-F531 HydrophobicContact CG-CE1 4.46Å; L67-F531 HydrophobicContact CD2-CE2 4.48Å; L67-F531 HydrophobicContact CD2-CZ 3.87Å; L67-F531 HydrophobicContact CG-CE2 4.39Å; L67-F531 HydrophobicContact CG-CZ 3.9Å; W181-F531 AromaticContact CE2-CD2 3.87Å; W181-F531 AromaticContact CZ2-CD2 3.92Å; W181-F531 HydrophobicContact CZ2-CD2 3.92Å; W181-F531 AromaticContact NE1-CD2 3.88Å; W181-F531 AromaticContact NE1-CE2 3.62Å; I526-F531 HydrophobicContact CG2-CB 3.99Å; I526-F531 HydrophobicContact CG2-CD2 4.12Å; I526-F531 WeakPolarHBondContact O-CB 3.2Å; I526-F531 PolarHBondContact O-N 3.23Å; F531-F533 PolarHBondContact O-N 3.13Å; F531-V534 PolarHBondContact O-N 2.96Å; F531-N535 WeakPolarHBondContact CD1-ND2 3.41Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.3Å; F531-N535 WeakPolarHBondContact CE1-ND2 3.09Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.41Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.33Å; F531-N535 WeakPolarHBondContact O-CB 3.44Å; F531-N535 VanDerWaalsContact O-CG 3.25Å; F531-N535 PolarHBondContact O-N 2.56Å; F531-N535 PolarHBondContact O-ND2 3.14Å; F531-N535 VanDerWaalsContact O-ND2 3.07Å
532D94.3Very high94Very high109 Ų10945.8 Ų45.858%0.58323%0.23SC*.Hα-helixtrans-62.7-44.7-177.6-68-29.3000111.9V530 N535 Q536V530-D532 PolarHBondContact O-N 2.8Å; D532-N535 PolarHBondContact O-N 2.89Å; D532-Q536 VanDerWaalsContact O-CG 3.24Å; D532-Q536 WeakPolarHBondContact O-CG 3.46Å; D532-Q536 PolarHBondContact O-N 2.88Å
533F92.6Very high93.6Very high90 Ų9050 Ų5040%0.39525%0.253SS..Hα-helixtrans-64.1-46.6-179.7177.6-100.1000111.9V530 F531 N535 Q536 E537V530-F533 PolarHBondContact O-N 2.85Å; F531-F533 PolarHBondContact O-N 3.13Å; F533-N535 PolarHBondContact O-N 3.34Å; F533-Q536 PolarHBondContact O-N 2.98Å; F533-E537 HydrophobicContact CE1-CG 4.05Å; F533-E537 HydrophobicContact CE2-CG 4.19Å; F533-E537 HydrophobicContact CZ-CG 3.88Å; F533-E537 WeakPolarHBondContact O-CG 3.32Å; F533-E537 PolarHBondContact O-N 3.18Å
534V95.6Very high93.2Very high13 Ų1357.1 Ų57.18%0.07928%0.284CS..Hα-helixtrans-64.5-41.4179.41720000110.7I32 L34 W181 V530 F531 E537 A538I32-V534 HydrophobicContact CB-CG2 4.17Å; I32-V534 HydrophobicContact CG2-CG1 4.28Å; L34-V534 HydrophobicContact CD1-CG1 3.88Å; L34-V534 HydrophobicContact CD2-CG1 4.49Å; L34-V534 HydrophobicContact CG-CG1 3.83Å; W181-V534 HydrophobicContact CH2-CB 3.93Å; W181-V534 HydrophobicContact CH2-CG1 3.66Å; W181-V534 HydrophobicContact CH2-CG2 4.34Å; W181-V534 HydrophobicContact CZ2-CB 3.88Å; W181-V534 HydrophobicContact CZ2-CG1 3.6Å; V530-V534 HydrophobicContact CB-CG2 3.96Å; V530-V534 HydrophobicContact CG2-CG2 4.18Å; V530-V534 WeakPolarHBondContact O-CB 3.26Å; V530-V534 VanDerWaalsContact O-CG2 3.31Å; V530-V534 WeakPolarHBondContact O-CG2 3.3Å; V530-V534 PolarHBondContact O-N 3.31Å; F531-V534 PolarHBondContact O-N 2.96Å; V534-E537 PolarHBondContact O-N 2.99Å; V534-A538 WeakPolarHBondContact O-CB 3.42Å; V534-A538 PolarHBondContact O-N 2.84Å
535N96.4Very high92.7Very high13 Ų1356.5 Ų56.57%0.0728%0.279CS..Hα-helixtrans-62.9-43.8176.5-76.5-35.8000112.2R177 W181 F531 D532 F533 E537 A538 D539R177-N535 WeakPolarHBondContact CD-OD1 3.47Å; R177-N535 WeakPolarHBondContact CG-OD1 3.49Å; R177-N535 PolarHBondContact NH1-O 2.85Å; R177-N535 PolarHBondContact NH1-OD1 3.4Å; R177-N535 VanDerWaalsContact NH1-OD1 3.16Å; W181-N535 PolarHBondContact NE1-OD1 2.56Å; F531-N535 WeakPolarHBondContact CD1-ND2 3.41Å; F531-N535 WeakPolarHBondContact CD2-ND2 3.3Å; F531-N535 WeakPolarHBondContact CE1-ND2 3.09Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.41Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.33Å; F531-N535 WeakPolarHBondContact O-CB 3.44Å; F531-N535 VanDerWaalsContact O-CG 3.25Å; F531-N535 PolarHBondContact O-N 2.56Å; F531-N535 PolarHBondContact O-ND2 3.14Å; F531-N535 VanDerWaalsContact O-ND2 3.07Å; D532-N535 PolarHBondContact O-N 2.89Å; F533-N535 PolarHBondContact O-N 3.34Å; N535-E537 PolarHBondContact O-N 3.33Å; N535-A538 PolarHBondContact O-N 3.33Å; N535-D539 WeakPolarHBondContact O-CB 3.44Å; N535-D539 PolarHBondContact O-N 3.2Å
536Q94.5Very high92Very high109 Ų10958.4 Ų58.451%0.50929%0.294SS..Hα-helixtrans-62.6-41.9177.3-73172.130.100112.3D532 F533 D539 K540D532-Q536 VanDerWaalsContact O-CG 3.24Å; D532-Q536 WeakPolarHBondContact O-CG 3.46Å; D532-Q536 PolarHBondContact O-N 2.88Å; F533-Q536 PolarHBondContact O-N 2.98Å; Q536-D539 PolarHBondContact O-N 3.08Å; Q536-K540 VanDerWaalsContact O-CG 3.3Å; Q536-K540 WeakPolarHBondContact O-CG 3.23Å; Q536-K540 PolarHBondContact O-N 2.69Å; Q536-K540 VanDerWaalsContact O-N 3.08Å
537E93.4Very high91.4Very high71 Ų7166.5 Ų66.533%0.33233%0.325SS..Hα-helixtrans-67.3-39.7177.3-70.1-70.396.800111.7R31 F533 V534 N535 K540 L541R31-E537 IonicContact NH1-OE2 2.74Å; F533-E537 HydrophobicContact CE1-CG 4.05Å; F533-E537 HydrophobicContact CE2-CG 4.19Å; F533-E537 HydrophobicContact CZ-CG 3.88Å; F533-E537 WeakPolarHBondContact O-CG 3.32Å; F533-E537 PolarHBondContact O-N 3.18Å; V534-E537 PolarHBondContact O-N 2.99Å; N535-E537 PolarHBondContact O-N 3.33Å; E537-K540 PolarHBondContact O-N 2.86Å; E537-K540 IonicContact OE1-NZ 2.78Å; E537-K540 PolarHBondContact OE1-NZ 3.26Å; E537-L541 PolarHBondContact O-N 2.84Å
538A94.4Very high90.7Very high13 Ų1367 Ų6711%0.10733%0.329CS..Hα-helixtrans-63.5-45.2174.500000111.8L34 V534 N535 K540 L541 D542L34-A538 HydrophobicContact CD1-CB 3.79Å; V534-A538 WeakPolarHBondContact O-CB 3.42Å; V534-A538 PolarHBondContact O-N 2.84Å; N535-A538 PolarHBondContact O-N 3.33Å; A538-K540 VanDerWaalsContact C-N 3.31Å; A538-K540 PolarHBondContact O-N 2.84Å; A538-L541 WeakPolarHBondContact O-CB 3.44Å; A538-L541 PolarHBondContact O-N 3.02Å; A538-L541 VanDerWaalsContact O-N 3.07Å; A538-D542 WeakPolarHBondContact O-CB 3.41Å; A538-D542 PolarHBondContact O-N 3.03Å
539D93.6Very high89.9Confident59 Ų5964.3 Ų64.332%0.31631%0.314SS..Hα-helixtrans-59.2-41.3176.7-69.7-11.2000111.7R177 N535 Q536 N543R177-D539 IonicContact CZ-OD1 3.28Å; R177-D539 VanDerWaalsContact CZ-OD1 3.23Å; R177-D539 IonicContact NH1-OD1 2.67Å; R177-D539 PolarHBondContact NH1-OD1 3.31Å; R177-D539 IonicContact NH2-OD1 3.54Å; R177-D539 PolarHBondContact NH2-OD1 3.33Å; N535-D539 WeakPolarHBondContact O-CB 3.44Å; N535-D539 PolarHBondContact O-N 3.2Å; Q536-D539 PolarHBondContact O-N 3.08Å; D539-N543 VanDerWaalsContact O-CB 3.27Å; D539-N543 WeakPolarHBondContact O-CB 3.33Å; D539-N543 PolarHBondContact O-N 3.27Å; D539-N543 PolarHBondContact O-ND2 3.01Å
540K93.1Very high89.1Confident125 Ų12569.4 Ų69.454%0.54334%0.336SS..Hα-helixtrans-62.5-42.6174.6-71171.4-161.6165.20111.6Q536 E537 A538 K544Q536-K540 VanDerWaalsContact O-CG 3.3Å; Q536-K540 WeakPolarHBondContact O-CG 3.23Å; Q536-K540 PolarHBondContact O-N 2.69Å; Q536-K540 VanDerWaalsContact O-N 3.08Å; E537-K540 PolarHBondContact O-N 2.86Å; E537-K540 IonicContact OE1-NZ 2.78Å; E537-K540 PolarHBondContact OE1-NZ 3.26Å; A538-K540 VanDerWaalsContact C-N 3.31Å; A538-K540 PolarHBondContact O-N 2.84Å; K540-K544 WeakPolarHBondContact O-CB 2.97Å; K540-K544 PolarHBondContact O-N 3.28Å
541L89.6Confident88.3Confident81 Ų8178 Ų7842%0.42437%0.368SS..Hα-helixtrans-67.4-43.9-179.8-175.662.6000111.8E537 A538 K544 K545E537-L541 PolarHBondContact O-N 2.84Å; A538-L541 WeakPolarHBondContact O-CB 3.44Å; A538-L541 PolarHBondContact O-N 3.02Å; A538-L541 VanDerWaalsContact O-N 3.07Å; L541-K544 WeakPolarHBondContact O-CB 3.38Å; L541-K544 PolarHBondContact O-N 3.49Å; L541-K545 PolarHBondContact O-N 3.45Å
542D87.3Confident86.9Confident36 Ų3680.2 Ų80.219%0.19339%0.385CS..Hα-helixtrans-63.4-45178.4-70.3-21.3000110.7P37 R177 A538 K544 K545 A546P37-D542 WeakPolarHBondContact CG-OD1 3.49Å; R177-D542 IonicContact NH2-OD2 3.34Å; R177-D542 PolarHBondContact NH2-OD2 3.45Å; A538-D542 WeakPolarHBondContact O-CB 3.41Å; A538-D542 PolarHBondContact O-N 3.03Å; D542-K544 VanDerWaalsContact C-N 3.32Å; D542-K544 PolarHBondContact O-N 3.29Å; D542-K545 PolarHBondContact O-N 3.36Å; D542-A546 WeakPolarHBondContact O-CB 3.23Å; D542-A546 PolarHBondContact O-N 3.28Å
543N87.8Confident85.4Confident95 Ų9578.9 Ų78.951%0.50838%0.381SS..Hα-helixtrans-60.8-39.2174.2-77.1-40.1000112.6D539 R547D539-N543 VanDerWaalsContact O-CB 3.27Å; D539-N543 WeakPolarHBondContact O-CB 3.33Å; D539-N543 PolarHBondContact O-N 3.27Å; D539-N543 PolarHBondContact O-ND2 3.01Å; N543-R547 VanDerWaalsContact O-CG 3.31Å; N543-R547 WeakPolarHBondContact O-CG 3.4Å; N543-R547 PolarHBondContact O-N 3.21Å
544K88.3Confident83.8Confident151 Ų15180.9 Ų80.966%0.65739%0.392SS*.Hα-helixtrans-63.9-45.4175.3-176-178.7177.4-176.40111.3K540 L541 D542 R547 A548K540-K544 WeakPolarHBondContact O-CB 2.97Å; K540-K544 PolarHBondContact O-N 3.28Å; L541-K544 WeakPolarHBondContact O-CB 3.38Å; L541-K544 PolarHBondContact O-N 3.49Å; D542-K544 VanDerWaalsContact C-N 3.32Å; D542-K544 PolarHBondContact O-N 3.29Å; K544-R547 PolarHBondContact O-N 3.27Å; K544-A548 PolarHBondContact O-N 2.96Å
545K83.6Confident81.7Confident43 Ų4384.7 Ų84.719%0.18742%0.415CS..Hα-helixtrans-63.1-43.6176.7-74.7176.6177.5173.80111.6D36 L541 D542 R547 A548 R549D36-K545 IonicContact OD2-NZ 3.78Å; D36-K545 PolarHBondContact OD2-NZ 2.89Å; L541-K545 PolarHBondContact O-N 3.45Å; D542-K545 PolarHBondContact O-N 3.36Å; K545-R547 PolarHBondContact O-N 3.46Å; K545-A548 PolarHBondContact O-N 3.34Å; K545-R549 WeakPolarHBondContact O-CG 3.14Å; K545-R549 PolarHBondContact O-N 3.29Å
546A81.8Confident79.4Confident40 Ų4086.6 Ų86.633%0.33143%0.432SS..Hα-helixtrans-59.9-45.4177.600000112.1D542 A548 R549 Q550D542-A546 WeakPolarHBondContact O-CB 3.23Å; D542-A546 PolarHBondContact O-N 3.28Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A546-A548 PolarHBondContact O-N 3.42Å; A546-R549 WeakPolarHBondContact O-CB 3.5Å; A546-R549 PolarHBondContact O-N 2.8Å; A546-Q550 WeakPolarHBondContact O-CG 3.45Å; A546-Q550 PolarHBondContact O-N 2.84Å
547R83.8Confident77Confident171 Ų17186.7 Ų86.765%0.64544%0.436SS*.Hα-helixtrans-62.4-38.3174.8-71.3174.1-176.8-174.91.7112.5N543 K544 K545 R551N543-R547 VanDerWaalsContact O-CG 3.31Å; N543-R547 WeakPolarHBondContact O-CG 3.4Å; N543-R547 PolarHBondContact O-N 3.21Å; K544-R547 PolarHBondContact O-N 3.27Å; K545-R547 PolarHBondContact O-N 3.46Å; R547-R551 WeakPolarHBondContact O-CG 3.43Å; R547-R551 PolarHBondContact O-N 2.97Å; R547-R551 VanDerWaalsContact O-N 3.17Å
548A80.6Confident74.6Confident35 Ų3588.5 Ų88.529%0.28945%0.452SS..Hα-helixtrans-66.8-40.2176.300000112K544 K545 A546 R551 S552 L642K544-A548 PolarHBondContact O-N 2.96Å; K545-A548 PolarHBondContact O-N 3.34Å; A546-A548 VanDerWaalsContact C-N 3.33Å; A546-A548 PolarHBondContact O-N 3.42Å; A548-R551 PolarHBondContact O-N 3.23Å; A548-S552 PolarHBondContact O-N 2.88Å; A548-L642 HydrophobicContact CB-CD1 4.16Å; A548-L642 HydrophobicContact CB-CD2 4.49Å
549R74.8Confident72Confident64 Ų6492 Ų9224%0.24248%0.476CS..Hα-helixtrans-58.8-51.9173.5-71.9175.9-174.7160.20.2110.9K545 A546 R551 S552 T553 L642K545-R549 WeakPolarHBondContact O-CG 3.14Å; K545-R549 PolarHBondContact O-N 3.29Å; A546-R549 WeakPolarHBondContact O-CB 3.5Å; A546-R549 PolarHBondContact O-N 2.8Å; R549-R551 VanDerWaalsContact C-N 3.28Å; R549-R551 PolarHBondContact O-N 2.87Å; R549-S552 PolarHBondContact O-N 3.16Å; R549-S552 PolarHBondContact O-OG 3.11Å; R549-T553 PolarHBondContact O-N 3.29Å; R549-T553 PolarHBondContact O-OG1 2.91Å; R549-L642 HydrophobicContact CB-CD2 4.27Å; R549-L642 HydrophobicContact CG-CD2 3.26Å
550Q76.4Confident69.3Low125 Ų12595.5 Ų95.558%0.58449%0.494SS*.Hα-helixtrans-55.6-40.9178.8-73.2175.8-10.100112.9A546 Q554A546-Q550 WeakPolarHBondContact O-CG 3.45Å; A546-Q550 PolarHBondContact O-N 2.84Å; Q550-Q554 WeakPolarHBondContact O-CG 3.22Å; Q550-Q554 PolarHBondContact O-N 2.8Å; Q550-Q554 VanDerWaalsContact O-N 3.17Å
551R76.6Confident66.6Low185 Ų18593.8 Ų93.870%0.69850%0.498SS*.Hα-helixtrans-64.4-41.7175-73.2177.3-179.1-176.4-1.1112.4R547 A548 R549 T553 Q554 T555R547-R551 WeakPolarHBondContact O-CG 3.43Å; R547-R551 PolarHBondContact O-N 2.97Å; R547-R551 VanDerWaalsContact O-N 3.17Å; A548-R551 PolarHBondContact O-N 3.23Å; R549-R551 VanDerWaalsContact C-N 3.28Å; R549-R551 PolarHBondContact O-N 2.87Å; R551-T553 PolarHBondContact O-N 2.81Å; R551-Q554 PolarHBondContact O-N 3.05Å; R551-T555 PolarHBondContact O-N 2.66Å; R551-T555 VanDerWaalsContact O-N 3.08Å; R551-T555 PolarHBondContact O-OG1 3.38Å
552S67.4Low63.8Low56 Ų5693 Ų9339%0.39251%0.509SS..Hα-helixtrans-65.2-37.5179.8710000112.8A548 R549 T555 A556A548-S552 PolarHBondContact O-N 2.88Å; R549-S552 PolarHBondContact O-N 3.16Å; R549-S552 PolarHBondContact O-OG 3.11Å; S552-T555 WeakPolarHBondContact CA-OG1 3.39Å; S552-T555 PolarHBondContact O-N 3.26Å; S552-T555 PolarHBondContact O-OG1 3.04Å; S552-A556 PolarHBondContact O-N 3.46Å
553T62.9Low61.3Low81 Ų8199 Ų9950%0.49754%0.54SS..Hα-helixtrans-67.7-43.3176.2-22.70000111.2R549 R551 T555 A556 D557R549-T553 PolarHBondContact O-N 3.29Å; R549-T553 PolarHBondContact O-OG1 2.91Å; R551-T553 PolarHBondContact O-N 2.81Å; T553-T555 VanDerWaalsContact C-N 3.32Å; T553-T555 PolarHBondContact O-N 2.99Å; T553-A556 WeakPolarHBondContact O-CB 3.02Å; T553-A556 PolarHBondContact O-N 3.07Å; T553-A556 VanDerWaalsContact O-N 3.1Å; T553-D557 PolarHBondContact O-N 3.25Å; T553-D557 VanDerWaalsContact O-N 3.16Å
554Q57.7Low58.5Low133 Ų133100.4 Ų100.462%0.62156%0.558SS**Hα-helixtrans-61.2-38.4175.9-74.617917.400112.7Q550 R551 A556 D557 V558Q550-Q554 WeakPolarHBondContact O-CG 3.22Å; Q550-Q554 PolarHBondContact O-N 2.8Å; Q550-Q554 VanDerWaalsContact O-N 3.17Å; R551-Q554 PolarHBondContact O-N 3.05Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.81Å; Q554-D557 PolarHBondContact O-N 2.78Å; Q554-V558 WeakPolarHBondContact O-CG2 3.44Å; Q554-V558 PolarHBondContact O-N 3.06Å
555T52.2Low55.6Low93 Ų9396.2 Ų96.257%0.57156%0.558SS**Hα-helixtrans-69.2-27.1176.147.70000113.6R551 S552 T553 S559R551-T555 PolarHBondContact O-N 2.66Å; R551-T555 VanDerWaalsContact O-N 3.08Å; R551-T555 PolarHBondContact O-OG1 3.38Å; S552-T555 WeakPolarHBondContact CA-OG1 3.39Å; S552-T555 PolarHBondContact O-N 3.26Å; S552-T555 PolarHBondContact O-OG1 3.04Å; T553-T555 VanDerWaalsContact C-N 3.32Å; T553-T555 PolarHBondContact O-N 2.99Å; T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 3.01Å
556A48.8Very low53Low52 Ų52100.8 Ų100.843%0.4359%0.589SS.*Hα-helixtrans-74.1-37.217600000111.9S552 T553 Q554 S559 N560S552-A556 PolarHBondContact O-N 3.46Å; T553-A556 WeakPolarHBondContact O-CB 3.02Å; T553-A556 PolarHBondContact O-N 3.07Å; T553-A556 VanDerWaalsContact O-N 3.1Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.81Å; A556-S559 WeakPolarHBondContact CA-OG 3.44Å; A556-S559 PolarHBondContact O-N 3.42Å; A556-S559 PolarHBondContact O-OG 3.31Å; A556-N560 PolarHBondContact O-N 3.11Å
557D42.6Very low50.6Low112 Ų112105.8 Ų105.860%0.59962%0.616SS**Hα-helixtrans-69.7-37.3177.4-73-27.5000112.3T553 Q554 S559 N560 S561T553-D557 PolarHBondContact O-N 3.25Å; T553-D557 VanDerWaalsContact O-N 3.16Å; Q554-D557 PolarHBondContact O-N 2.78Å; D557-S559 VanDerWaalsContact C-N 3.3Å; D557-S559 PolarHBondContact O-N 2.8Å; D557-N560 PolarHBondContact O-N 2.8Å; D557-S561 PolarHBondContact O-N 3.12Å; D557-S561 PolarHBondContact O-OG 2.88Å
558V43Very low47.9Very low109 Ų109102.7 Ų102.766%0.66162%0.62SS**Hα-helixtrans-68.5-29.9176.3177.50000112.2Q554 S561Q554-V558 WeakPolarHBondContact O-CG2 3.44Å; Q554-V558 PolarHBondContact O-N 3.06Å; V558-S561 PolarHBondContact O-OG 3.46Å
559S39.6Very low45.4Very low87 Ų87106.2 Ų106.261%0.60864%0.643SS**Hα-helixtrans-82.9-12.7176.741.40000113.6T555 A556 D557T555-S559 PolarHBondContact O-N 3.1Å; T555-S559 PolarHBondContact O-OG 3.01Å; A556-S559 WeakPolarHBondContact CA-OG 3.44Å; A556-S559 PolarHBondContact O-N 3.42Å; A556-S559 PolarHBondContact O-OG 3.31Å; D557-S559 VanDerWaalsContact C-N 3.3Å; D557-S559 PolarHBondContact O-N 2.8Å
560N38.7Very low43.3Very low131 Ų131110 Ų11070%0.70167%0.673SS**Hα-helixtrans-96.4-11.6173.8-134.418000113.6A556 D557 G562A556-N560 PolarHBondContact O-N 3.11Å; D557-N560 PolarHBondContact O-N 2.8Å; N560-G562 PolarHBondContact O-N 3.18Å
561S35.3Very low41.1Very low89 Ų89107.8 Ų107.862%0.62268%0.684SS**THydrogen-bonded Turntrans-79.56.1171.150.90000114.8D557 V558D557-S561 PolarHBondContact O-N 3.12Å; D557-S561 PolarHBondContact O-OG 2.88Å; V558-S561 PolarHBondContact O-OG 3.46Å
562G31.8Very low38.8Very low64 Ų64106.7 Ų106.766%0.6669%0.692SS**THydrogen-bonded Turntrans-100.41.4-17700000116.7N560N560-G562 PolarHBondContact O-N 3.18Å
563L33.6Very low37Very low162 Ų162111.6 Ų111.685%0.84871%0.713SS**  trans-132.373178.2-84.2122.4000110.9
564S28.8Very low35.6Very low125 Ų125114.8 Ų114.887%0.87473%0.726SS**  trans-11677.5158.651.30000108.6
565G27.6Very low34.1Very low64 Ų64116.1 Ų116.166%0.6674%0.738SS**  trans-144.9100.217700000110.2
566V28.7Very low33.2Very low139 Ų139119.2 Ų119.284%0.84275%0.749SS**  trans69100.4157.6-165.90000116.8
567T32.7Very low32.3Very low145 Ų145119.8 Ų119.889%0.8976%0.76SS**  -163124.4120.147.20000110.5
568S26.4Very low31.5Very low105 Ų105122.4 Ų122.473%0.73477%0.774SS**  trans-89.5154.8172.949.90000112.4
569S27.8Very low30.9Very low110 Ų110123.3 Ų123.377%0.76978%0.78SS**  trans77.4129.7167.682.50000114.7
570T30.8Very low30.2Very low142 Ų142122.5 Ų122.587%0.87179%0.785SS**  cis-156.7157.332.334.20000110.3
571G30.7Very low29.9Very low79 Ų79122.7 Ų122.781%0.81479%0.791SS**  trans126.672.8154.500000117.8
572N28.2Very low29.5Very low163 Ų163123.4 Ų123.487%0.87280%0.796SS**  trans-69.7133156.9-109.9-10.6000109.3
573L30.2Very low29.2Very low159 Ų159128.3 Ų128.383%0.83281%0.807SS**  trans-176.5134.1134.8-102.5153.6000113
574L32.2Very low28.8Very low147 Ų147126 Ų12677%0.7780%0.804SS**  trans94.379.6163.4-54.6174.6000118
575N25.8Very low28.7Very low162 Ų162123.3 Ų123.387%0.86680%0.796SS**  trans-94.2113.2150.6-171.415.3000107.9
576I33.7Very low28.6Very low157 Ų157126.3 Ų126.381%0.80581%0.807SS**  trans-142.9125.1166.5-61.9-177.6000108.8
577G30.2Very low28.4Very low65 Ų65123.4 Ų123.467%0.6781%0.806SS**  trans106.170.9141.500000117.6V579G577-V579 PolarHBondContact O-N 2.97Å
578N25.8Very low28Very low167 Ų167119.7 Ų119.789%0.89380%0.796SS**  trans-75111.1156.7-163.335.3000108.6
579V30.7Very low28Very low128 Ų128122 Ų12278%0.77680%0.8SS**  trans-134.4115.1164.1179.40000107.6G577G577-V579 PolarHBondContact O-N 2.97Å
580G25.2Very low28Very low70 Ų70125.2 Ų125.272%0.72281%0.808SS**  trans-67.9140176.500000111.8
581V31Very low28.1Very low134 Ų134121.7 Ų121.781%0.81279%0.789SS**  trans-133.9135.8160.5-178.30000108.6
582S26.9Very low28.3Very low104 Ų104123.9 Ų123.973%0.72778%0.782SS**  trans-55.5149.2-173.239.50000116.6
583N26.3Very low28.6Very low168 Ų168121.5 Ų121.590%0.89877%0.769SS**  trans-59.5115.2170.8-160.222.7000112.6
584S25Very low28.7Very low113 Ų113119.4 Ų119.479%0.7976%0.757SS**  trans179.8116.8152.953.50000110.5
585G26.3Very low29.4Very low69 Ų69113.2 Ų113.271%0.71173%0.725SS**  trans146.694.1167.600000113.8G587G585-G587 PolarHBondContact O-N 2.74Å
586S25.5Very low30.5Very low126 Ų126108.7 Ų108.788%0.88170%0.703SS**  trans-7.1105.915743.10000116G588S586-G588 PolarHBondContact O-N 2.92Å
587G24.7Very low31Very low79 Ų79104.5 Ų104.581%0.81468%0.682SS**  trans-73.7101.4174.200000111.7G585G585-G587 PolarHBondContact O-N 2.74Å
588G24.1Very low31.4Very low67 Ų67103.4 Ų103.469%0.69167%0.671SS**  trans-74.7122.6156.200000108.9S586 L590S586-G588 PolarHBondContact O-N 2.92Å; G588-L590 PolarHBondContact O-N 2.94Å; G588-L590 VanDerWaalsContact O-N 3.12Å
589N27.5Very low32.1Very low153 Ų153100.4 Ų100.482%0.81865%0.654SS**  trans-58.6112179.2-86.4-32.6000111.4S591N589-S591 VanDerWaalsContact C-N 3.28Å; N589-S591 PolarHBondContact O-N 3.39Å
590L26.3Very low33Very low178 Ų17898.2 Ų98.293%0.93265%0.649SS**  trans-71.978.5163.7-78.1148.7000109.3G588G588-L590 PolarHBondContact O-N 2.94Å; G588-L590 VanDerWaalsContact O-N 3.12Å
591S33Very low35.1Very low68 Ų6895.8 Ų95.848%0.47662%0.621SS.*  trans-110.3-4.1173.459.40000114.6N589 N593 M594N589-S591 VanDerWaalsContact C-N 3.28Å; N589-S591 PolarHBondContact O-N 3.39Å; S591-N593 PolarHBondContact O-N 2.77Å; S591-M594 PolarHBondContact O-N 3.43Å
592D35.2Very low37.4Very low124 Ų12493.4 Ų93.466%0.66360%0.604SS**THydrogen-bonded Turntrans-72.7-5.6-163.7-74.5-15.8000116
593N36Very low40.2Very low113 Ų11389.7 Ų89.760%0.60458%0.578SS**THydrogen-bonded Turntrans-124.621178.5-86.2-10.7000114.2S591 A600 S601S591-N593 PolarHBondContact O-N 2.77Å; N593-A600 CarbonylContact O-C 3.52Å; N593-A600 WeakPolarHBondContact O-CA 3.24Å; N593-S601 PolarHBondContact O-N 3Å
594M31.5Very low42.9Very low115 Ų11584.3 Ų84.357%0.56755%0.548SS*.BIsolated β-bridgetrans-81.6123.7173.5-74.5-161.2175.300111.3S591 I599S591-M594 PolarHBondContact O-N 3.43Å; M594-I599 WeakPolarHBondContact CA-O 3.2Å
595T46.7Very low45.8Very low17 Ų1779.2 Ų79.210%0.10451%0.512CS..  trans-57.7165.6164.844.80000110.6D597 G598 I599 S601T595-D597 PolarHBondContact O-N 2.89Å; T595-G598 PolarHBondContact O-N 3.12Å; T595-I599 PolarHBondContact N-O 3.18Å; T595-I599 PolarHBondContact OG1-O 3.38Å; T595-S601 WeakPolarHBondContact CG2-OG 3.45Å
596V48.3Very low48.8Very low68 Ų6877.1 Ų77.141%0.41248%0.484SS..THydrogen-bonded Turntrans-48.7-17.6171.4178.40000113.9
597D45.1Very low51.6Low69 Ų6971.2 Ų71.237%0.36944%0.443SS..THydrogen-bonded Turntrans-98.15177.8-64-15.7000114.5T595 K645T595-D597 PolarHBondContact O-N 2.89Å; D597-K645 WeakPolarHBondContact OD2-CE 3.46Å; D597-K645 IonicContact OD2-NZ 2.77Å; D597-K645 PolarHBondContact OD2-NZ 3.26Å
598G39.2Very low54.7Low42 Ų4268.8 Ų68.843%0.43341%0.411SS..SBendtrans79.217.5176.300000115.7T595T595-G598 PolarHBondContact O-N 3.12Å
599I40.3Very low57.9Low104 Ų10465.7 Ų65.753%0.53338%0.379SS..  trans-104.1127.6179.3-55174.1000108.9M594 T595 S601M594-I599 WeakPolarHBondContact CA-O 3.2Å; T595-I599 PolarHBondContact N-O 3.18Å; T595-I599 PolarHBondContact OG1-O 3.38Å; I599-S601 WeakPolarHBondContact O-CB 3.41Å; I599-S601 PolarHBondContact O-N 2.93Å; I599-S601 VanDerWaalsContact O-N 3.08Å
600A49.4Very low61Low82 Ų8259.4 Ų59.468%0.67835%0.345SS*.BIsolated β-bridgetrans-53.8113167.900000109N593N593-A600 CarbonylContact O-C 3.52Å; N593-A600 WeakPolarHBondContact O-CA 3.24Å
601S68.8Low64.3Low19 Ų1952.6 Ų52.613%0.13331%0.308CS..  trans-129.5137.1-167.9-172.20000109.4N593 T595 I599 C603 F628N593-S601 PolarHBondContact O-N 3Å; T595-S601 WeakPolarHBondContact CG2-OG 3.45Å; I599-S601 WeakPolarHBondContact O-CB 3.41Å; I599-S601 PolarHBondContact O-N 2.93Å; I599-S601 VanDerWaalsContact O-N 3.08Å; S601-C603 PolarHBondContact O-N 3.2Å; S601-C603 WeakPolarHBondContact OG-CB 3.43Å; S601-C603 PolarHBondContact OG-N 3.21Å; S601-F628 WeakPolarHBondContact OG-CE1 3.48Å
602D80.4Confident67.2Low83 Ų8349.8 Ų49.844%0.44429%0.288SS..  trans-81.817.7170.163.3-33.9000112.1I604 F628 P629D602-I604 PolarHBondContact O-N 3.14Å; D602-F628 WeakPolarHBondContact OD1-CD1 3.31Å; D602-F628 WeakPolarHBondContact OD1-CE1 3.34Å; D602-P629 VanDerWaalsContact O-CD 3.23Å; D602-P629 WeakPolarHBondContact O-CD 3.32Å
603C84.8Confident69.7Low26 Ų2644.3 Ų44.318%0.17626%0.26CS..  trans-61.4118.8177-172.70000109.5S601 V605 L627 F628S601-C603 PolarHBondContact O-N 3.2Å; S601-C603 WeakPolarHBondContact OG-CB 3.43Å; S601-C603 PolarHBondContact OG-N 3.21Å; C603-V605 PolarHBondContact SG-O 3.17Å; C603-L627 CarbonylContact C-O 3.58Å; C603-F628 HydrophobicContact CB-CD1 4.12Å; C603-F628 HydrophobicContact CB-CE1 3.64Å; C603-F628 HydrophobicContact CB-CZ 4Å
604I84Confident71.6Confident56 Ų5640.6 Ų40.629%0.28725%0.249SC..  trans-69.5-48.8179.3-60.1175000109.3D602 L627 P629D602-I604 PolarHBondContact O-N 3.14Å; I604-L627 HydrophobicContact CB-CD2 4.42Å; I604-L627 HydrophobicContact CB-CG 4.34Å; I604-L627 HydrophobicContact CD1-CD2 4.46Å; I604-L627 HydrophobicContact CD1-CG 4.27Å; I604-L627 HydrophobicContact CG2-CD2 4.48Å; I604-L627 PolarHBondContact N-O 3.44Å; I604-P629 HydrophobicContact CD1-CG 4.14Å; I604-P629 HydrophobicContact CG1-CG 4.24Å
605V84.3Confident73.3Confident5 Ų540 Ų403%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-158.7145.7-179.166.10000110.7I42 C603 L627 W696 E699I42-V605 HydrophobicContact CB-CG2 4.33Å; I42-V605 HydrophobicContact CD1-CG2 4.25Å; I42-V605 HydrophobicContact CG1-CG2 3.28Å; C603-V605 PolarHBondContact SG-O 3.17Å; V605-L627 HydrophobicContact CG1-CB 4.07Å; V605-L627 HydrophobicContact CG1-CD2 4.03Å; V605-L627 PolarHBondContact O-N 3.2Å; V605-W696 HydrophobicContact CG1-CE3 3.97Å; V605-W696 HydrophobicContact CG1-CH2 3.84Å; V605-W696 HydrophobicContact CG1-CZ3 3.46Å; V605-W696 VanDerWaalsContact CG1-CZ3 3.46Å; V605-W696 WeakPolarHBondContact O-CH2 3.48Å; V605-E699 HydrophobicContact CG1-CB 4.29Å; V605-E699 HydrophobicContact CG1-CG 4.24Å
606E89.1Confident74.7Confident26 Ų2648 Ų4812%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-133.2153.3175.571.8179.4158.200112H624 L625 R626E606-H624 IonicContact OE2-NE2 2.74Å; E606-H624 PolarHBondContact OE2-NE2 3.12Å; E606-L625 CarbonylContact C-O 3.48Å; E606-L625 WeakPolarHBondContact CA-O 3.42Å; E606-R626 HydrophobicContact CB-CG 3.8Å; E606-R626 IonicContact OE2-CZ 2.93Å; E606-R626 VanDerWaalsContact OE2-CZ 3.3Å; E606-R626 IonicContact OE2-NE 3.43Å; E606-R626 PolarHBondContact OE2-NE 2.98Å; E606-R626 IonicContact OE2-NH2 2.66Å; E606-R626 PolarHBondContact OE2-NH2 3.46Å
607G85.8Confident76.1Confident1 Ų149.2 Ų49.21%0.0129%0.291CS..EExtended strand (participates in β ladder)trans170.5171.1-177.300000113.7L625G607-L625 PolarHBondContact N-O 3.2Å; G607-L625 PolarHBondContact O-N 3.37Å
608D88Confident78Confident28 Ų2852.7 Ų52.715%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-86.2135.6-179.3-74.2-5.9000111.9K623 H624 K637D608-K623 WeakPolarHBondContact CA-O 3.27Å; D608-H624 IonicContact OD1-CE1 3.51Å; D608-H624 IonicContact OD1-CG 3.01Å; D608-H624 IonicContact OD1-ND1 3.65Å; D608-H624 PolarHBondContact OD1-ND1 3.35Å; D608-K637 WeakPolarHBondContact OD1-CE 3.39Å; D608-K637 IonicContact OD1-NZ 2.61Å; D608-K637 PolarHBondContact OD1-NZ 2.93Å; D608-K637 IonicContact OD2-NZ 3.9Å; D608-K637 PolarHBondContact OD2-NZ 3.32Å
609V92.2Very high80.3Confident3 Ų354 Ų542%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-135.1166.5177-58.80000111R622 K623 L625 L634 I685 W696V609-R622 WeakPolarHBondContact O-CA 3.28Å; V609-K623 HydrophobicContact CG2-CB 4.36Å; V609-K623 PolarHBondContact N-O 3.07Å; V609-K623 PolarHBondContact O-N 3.1Å; V609-L625 HydrophobicContact CG1-CB 4.03Å; V609-L625 HydrophobicContact CG1-CD2 3.81Å; V609-L625 HydrophobicContact CG2-CB 3.78Å; V609-L625 HydrophobicContact CG2-CD2 4.15Å; V609-L634 HydrophobicContact CG2-CD2 3.96Å; V609-I685 HydrophobicContact CB-CG2 3.68Å; V609-I685 HydrophobicContact CG1-CG2 3.98Å; V609-I685 HydrophobicContact CG2-CG2 3.81Å; V609-W696 HydrophobicContact CG1-CG 4.49Å; V609-W696 HydrophobicContact CG1-CZ2 4.4Å
610L93.5Very high82.7Confident21 Ų2151.7 Ų51.711%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-100.2122.7167-63176.2000109W620 Q621 R622 M669 I685 T686L610-W620 HydrophobicContact CB-CB 4.47Å; L610-W620 HydrophobicContact CB-CE3 3.83Å; L610-Q621 WeakPolarHBondContact CA-O 3.49Å; L610-R622 HydrophobicContact CD2-CB 4.16Å; L610-M669 HydrophobicContact CD1-CE 4.26Å; L610-M669 HydrophobicContact CD1-SD 4.2Å; L610-I685 CarbonylContact O-C 3.6Å; L610-I685 WeakPolarHBondContact O-CA 3.07Å; L610-T686 HydrophobicContact CB-CG2 3.84Å; L610-T686 HydrophobicContact CD1-CG2 4.27Å; L610-T686 PolarHBondContact N-O 3.11Å; L610-T686 PolarHBondContact O-N 3.05Å
611K94.2Very high84.7Confident35 Ų3551.8 Ų51.815%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-103130.6173.2-173.4-160.1179.4-159.50109.2Q621 K623 L634 D649 L683 Y684K611-Q621 PolarHBondContact N-O 2.85Å; K611-Q621 PolarHBondContact O-N 3.43Å; K611-K623 HydrophobicContact CB-CG 3.84Å; K611-K623 HydrophobicContact CD-CG 4.38Å; K611-L634 HydrophobicContact CD-CD1 4.15Å; K611-D649 IonicContact NZ-OD2 3.66Å; K611-D649 PolarHBondContact NZ-OD2 3.42Å; K611-L683 HydrophobicContact CD-CD1 4.01Å; K611-L683 HydrophobicContact CG-CD1 3.77Å; K611-Y684 WeakPolarHBondContact CA-O 3.32Å
612L93.5Very high85.7Confident9 Ų958.3 Ų58.35%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-71.8131.5171.3-169.364.2000109.9L617 W620 V666 C667 Y684L612-L617 WeakPolarHBondContact CD1-O 3.38Å; L612-L617 HydrophobicContact CD2-CB 4.31Å; L612-L617 WeakPolarHBondContact CD2-O 3.5Å; L612-L617 HydrophobicContact CG-CB 4.39Å; L612-L617 WeakPolarHBondContact CG-O 3.37Å; L612-W620 HydrophobicContact CB-CD2 4.36Å; L612-W620 HydrophobicContact CB-CE3 3.98Å; L612-W620 HydrophobicContact CB-CH2 3.91Å; L612-W620 HydrophobicContact CB-CZ2 4.27Å; L612-W620 HydrophobicContact CB-CZ3 3.74Å; L612-W620 HydrophobicContact CD1-CD2 3.93Å; L612-W620 HydrophobicContact CD1-CE3 4.4Å; L612-W620 HydrophobicContact CD1-CG 4.29Å; L612-W620 HydrophobicContact CD1-CZ2 4.03Å; L612-V666 HydrophobicContact CD2-CG1 3.76Å; L612-C667 HydrophobicContact CD1-CB 4.3Å; L612-Y684 HydrophobicContact CB-CD2 4.43Å; L612-Y684 HydrophobicContact CD2-CD2 3.69Å; L612-Y684 HydrophobicContact CD2-CE2 4.38Å; L612-Y684 HydrophobicContact CD2-CG 4.26Å; L612-Y684 PolarHBondContact N-O 3.29Å
613G87.6Confident86.2Confident8 Ų854.7 Ų54.78%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-166.8-155.1-178.800000112.8Q618 T619G613-Q618 PolarHBondContact O-N 2.86Å; G613-T619 CarbonylContact C-O 3.54Å; G613-T619 PolarHBondContact N-O 2.98Å; G613-T619 PolarHBondContact O-N 2.9Å; G613-T619 PolarHBondContact O-OG1 2.79Å
614G76.7Confident86.5Confident36 Ų3653.7 Ų53.737%0.37127%0.27SS..SBendtrans68.9-174.1-17600000114.1F616 L617 T619G614-F616 PolarHBondContact O-N 3.46Å; G614-L617 PolarHBondContact O-N 3.5Å; G614-T619 VanDerWaalsContact CA-OG1 3.3Å; G614-T619 WeakPolarHBondContact CA-OG1 3.32Å
615P66.5Low86.9Confident101 Ų10151 Ų5166%0.65626%0.256SS*.G310 helixtrans-56.1127.5-178.1-20.731.8000109.8L617P615-L617 PolarHBondContact O-N 3.02Å; P615-L617 VanDerWaalsContact O-N 3.17Å
616F77.9Confident87.3Confident187 Ų18751.4 Ų51.482%0.8226%0.257SS*.G310 helixtrans62.415.7178-42.7-78000116.5G614 Q618G614-F616 PolarHBondContact O-N 3.46Å; F616-Q618 HydrophobicContact CB-CG 4.49Å; F616-Q618 PolarHBondContact O-N 3.24Å
617L77.8Confident87.4Confident92 Ų9250.2 Ų50.248%0.48225%0.252SS..G310 helixtrans58.843.5178-60.3169.7000113.8L612 G614 P615L612-L617 WeakPolarHBondContact CD1-O 3.38Å; L612-L617 HydrophobicContact CD2-CB 4.31Å; L612-L617 WeakPolarHBondContact CD2-O 3.5Å; L612-L617 HydrophobicContact CG-CB 4.39Å; L612-L617 WeakPolarHBondContact CG-O 3.37Å; G614-L617 PolarHBondContact O-N 3.5Å; P615-L617 PolarHBondContact O-N 3.02Å; P615-L617 VanDerWaalsContact O-N 3.17Å
618Q83.5Confident87.6Confident143 Ų14350.5 Ų50.567%0.66825%0.253SS*.  trans-114.7-4.9179.9-63.5-174.85.300114.1G613 F616G613-Q618 PolarHBondContact O-N 2.86Å; F616-Q618 HydrophobicContact CB-CG 4.49Å; F616-Q618 PolarHBondContact O-N 3.24Å
619T88.7Confident87.5Confident69 Ų6951.6 Ų51.642%0.42326%0.262SS..EExtended strand (participates in β ladder)trans-112.2126.4-175.4350000112G613 G614G613-T619 CarbonylContact C-O 3.54Å; G613-T619 PolarHBondContact N-O 2.98Å; G613-T619 PolarHBondContact O-N 2.9Å; G613-T619 PolarHBondContact O-OG1 2.79Å; G614-T619 VanDerWaalsContact CA-OG1 3.3Å; G614-T619 WeakPolarHBondContact CA-OG1 3.32Å
620W90.9Very high87.3Confident55 Ų5555.3 Ų55.321%0.20828%0.281CS..EExtended strand (participates in β ladder)trans-84.5124.2173-68.2100000110.3L610 L612 M669 T686L610-W620 HydrophobicContact CB-CB 4.47Å; L610-W620 HydrophobicContact CB-CE3 3.83Å; L612-W620 HydrophobicContact CB-CD2 4.36Å; L612-W620 HydrophobicContact CB-CE3 3.98Å; L612-W620 HydrophobicContact CB-CH2 3.91Å; L612-W620 HydrophobicContact CB-CZ2 4.27Å; L612-W620 HydrophobicContact CB-CZ3 3.74Å; L612-W620 HydrophobicContact CD1-CD2 3.93Å; L612-W620 HydrophobicContact CD1-CE3 4.4Å; L612-W620 HydrophobicContact CD1-CG 4.29Å; L612-W620 HydrophobicContact CD1-CZ2 4.03Å; W620-M669 HydrophobicContact CD2-CG 4.4Å; W620-M669 HydrophobicContact CZ2-CB 3.72Å; W620-M669 HydrophobicContact CZ2-CG 4.06Å; W620-T686 HydrophobicContact CD2-CG2 4.28Å; W620-T686 HydrophobicContact CE3-CG2 3.78Å; W620-T686 HydrophobicContact CH2-CG2 3.67Å; W620-T686 HydrophobicContact CZ2-CG2 4.19Å; W620-T686 HydrophobicContact CZ3-CG2 3.45Å; W620-T686 VanDerWaalsContact CZ3-CG2 3.45Å
621Q90.5Very high87.3Confident84 Ų8456.8 Ų56.839%0.39329%0.285SS..EExtended strand (participates in β ladder)trans-113.1131.5178.9-64.7-176.3-26.400109.9L610 K611 K623L610-Q621 WeakPolarHBondContact CA-O 3.49Å; K611-Q621 PolarHBondContact N-O 2.85Å; K611-Q621 PolarHBondContact O-N 3.43Å; Q621-K623 PolarHBondContact O-N 2.58Å
622R89.8Confident87.3Confident156 Ų15655.1 Ų55.159%0.58928%0.278SS*.EExtended strand (participates in β ladder)trans-71.2126.2173.4-166.5175.2-62.8-93.9-2.4109.6V609 L610V609-R622 WeakPolarHBondContact O-CA 3.28Å; L610-R622 HydrophobicContact CD2-CB 4.16Å
623K91.5Very high87.3Confident8 Ų855.5 Ų55.54%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-129.1152.4179.6-64.5-72.6-172.8158.40109D608 V609 K611 Q621 L634 Y635 N636 D649D608-K623 WeakPolarHBondContact CA-O 3.27Å; V609-K623 HydrophobicContact CG2-CB 4.36Å; V609-K623 PolarHBondContact N-O 3.07Å; V609-K623 PolarHBondContact O-N 3.1Å; K611-K623 HydrophobicContact CB-CG 3.84Å; K611-K623 HydrophobicContact CD-CG 4.38Å; Q621-K623 PolarHBondContact O-N 2.58Å; K623-L634 HydrophobicContact CB-CD2 3.64Å; K623-L634 HydrophobicContact CG-CD2 4.12Å; K623-Y635 CarbonylContact C-O 3.51Å; K623-Y635 VanDerWaalsContact CA-O 3.3Å; K623-Y635 WeakPolarHBondContact CA-O 3.36Å; K623-Y635 WeakPolarHBondContact CD-O 3.24Å; K623-N636 WeakPolarHBondContact CE-OD1 3.44Å; K623-N636 PolarHBondContact NZ-OD1 3.07Å; K623-D649 IonicContact NZ-OD2 2.71Å
624H91Very high87.6Confident4 Ų455.1 Ų55.12%0.01928%0.276CS..EExtended strand (participates in β ladder)trans-94.1115.5166-16671.4000108.3E606 D608 Y635 K637 I643E606-H624 IonicContact OE2-NE2 2.74Å; E606-H624 PolarHBondContact OE2-NE2 3.12Å; D608-H624 IonicContact OD1-CE1 3.51Å; D608-H624 IonicContact OD1-CG 3.01Å; D608-H624 IonicContact OD1-ND1 3.65Å; D608-H624 PolarHBondContact OD1-ND1 3.35Å; H624-Y635 PolarHBondContact N-O 3.32Å; H624-Y635 PolarHBondContact O-N 3.01Å; H624-K637 HydrophobicContact CB-CG 4.38Å; H624-I643 HydrophobicContact CB-CG1 4.23Å; H624-I643 WeakPolarHBondContact CD2-CD1 3.45Å; H624-I643 WeakPolarHBondContact NE2-CD1 3.47Å
625L92.6Very high88.4Confident0 Ų054.6 Ų54.60%026%0.263CS..EExtended strand (participates in β ladder)trans-94.5132.2-178.1-178.161.1000109.5E606 G607 V609 I632 E633 L634 I685 W696 I700E606-L625 CarbonylContact C-O 3.48Å; E606-L625 WeakPolarHBondContact CA-O 3.42Å; G607-L625 PolarHBondContact N-O 3.2Å; G607-L625 PolarHBondContact O-N 3.37Å; V609-L625 HydrophobicContact CG1-CB 4.03Å; V609-L625 HydrophobicContact CG1-CD2 3.81Å; V609-L625 HydrophobicContact CG2-CB 3.78Å; V609-L625 HydrophobicContact CG2-CD2 4.15Å; L625-I632 HydrophobicContact CD1-CG2 3.23Å; L625-I632 HydrophobicContact CG-CG2 4.48Å; L625-E633 CarbonylContact C-O 3.58Å; L625-E633 WeakPolarHBondContact CA-O 3.16Å; L625-L634 HydrophobicContact CB-CD2 4.32Å; L625-L634 HydrophobicContact CD1-CD2 3.72Å; L625-L634 HydrophobicContact CD1-CG 3.73Å; L625-I685 HydrophobicContact CD2-CD1 4.28Å; L625-W696 HydrophobicContact CB-CH2 3.82Å; L625-W696 HydrophobicContact CB-CZ2 3.88Å; L625-W696 HydrophobicContact CB-CZ3 4.44Å; L625-W696 HydrophobicContact CD2-CD2 3.7Å; L625-W696 HydrophobicContact CD2-CE3 3.48Å; L625-W696 VanDerWaalsContact CD2-CE3 3.48Å; L625-W696 HydrophobicContact CD2-CH2 3.61Å; L625-W696 HydrophobicContact CD2-CZ2 3.82Å; L625-W696 HydrophobicContact CD2-CZ3 3.42Å; L625-W696 VanDerWaalsContact CD2-CZ3 3.42Å; L625-W696 HydrophobicContact CG-CE3 4.22Å; L625-W696 HydrophobicContact CG-CH2 3.49Å; L625-W696 VanDerWaalsContact CG-CH2 3.49Å; L625-W696 HydrophobicContact CG-CZ2 3.95Å; L625-W696 HydrophobicContact CG-CZ3 3.63Å; L625-I700 HydrophobicContact CD2-CD1 4.47Å
626R91.8Very high89.5Confident13 Ų1352.4 Ų52.45%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-120.1128.2166.1-66.3-174.4169.3166.1-6.6109E606 F628 E633 Y635E606-R626 HydrophobicContact CB-CG 3.8Å; E606-R626 IonicContact OE2-CZ 2.93Å; E606-R626 VanDerWaalsContact OE2-CZ 3.3Å; E606-R626 IonicContact OE2-NE 3.43Å; E606-R626 PolarHBondContact OE2-NE 2.98Å; E606-R626 IonicContact OE2-NH2 2.66Å; E606-R626 PolarHBondContact OE2-NH2 3.46Å; R626-F628 HydrophobicContact CB-CD2 4.3Å; R626-F628 HydrophobicContact CB-CE2 3.62Å; R626-F628 HydrophobicContact CB-CZ 4.3Å; R626-E633 HydrophobicContact CB-CB 4.34Å; R626-E633 PolarHBondContact N-O 2.93Å; R626-E633 PolarHBondContact O-N 3.14Å; R626-Y635 HydrophobicContact CB-CE2 4.44Å; R626-Y635 HydrophobicContact CG-CD2 4.48Å; R626-Y635 HydrophobicContact CG-CE2 4.13Å
627L91.4Very high89.8Confident1 Ų145.5 Ų45.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-105.2128.4174.4172.968.5000109.7C603 I604 V605 I632 M653 W696 E699 I700C603-L627 CarbonylContact C-O 3.58Å; I604-L627 HydrophobicContact CB-CD2 4.42Å; I604-L627 HydrophobicContact CB-CG 4.34Å; I604-L627 HydrophobicContact CD1-CD2 4.46Å; I604-L627 HydrophobicContact CD1-CG 4.27Å; I604-L627 HydrophobicContact CG2-CD2 4.48Å; I604-L627 PolarHBondContact N-O 3.44Å; V605-L627 HydrophobicContact CG1-CB 4.07Å; V605-L627 HydrophobicContact CG1-CD2 4.03Å; V605-L627 PolarHBondContact O-N 3.2Å; L627-I632 HydrophobicContact CD1-CG1 3.93Å; L627-M653 HydrophobicContact CD1-CE 3.18Å; L627-W696 HydrophobicContact CB-CZ3 3.74Å; L627-E699 HydrophobicContact CD2-CB 3.54Å; L627-I700 HydrophobicContact CD1-CG1 4.34Å; L627-I700 HydrophobicContact CD2-CG1 4.24Å
628F90.8Very high89.9Confident7 Ų742.7 Ų42.73%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-119.2161.6174.2-65.1-88.8000109.4S601 D602 C603 R626 N630 R631 E633S601-F628 WeakPolarHBondContact OG-CE1 3.48Å; D602-F628 WeakPolarHBondContact OD1-CD1 3.31Å; D602-F628 WeakPolarHBondContact OD1-CE1 3.34Å; C603-F628 HydrophobicContact CB-CD1 4.12Å; C603-F628 HydrophobicContact CB-CE1 3.64Å; C603-F628 HydrophobicContact CB-CZ 4Å; R626-F628 HydrophobicContact CB-CD2 4.3Å; R626-F628 HydrophobicContact CB-CE2 3.62Å; R626-F628 HydrophobicContact CB-CZ 4.3Å; F628-N630 PolarHBondContact O-N 3.16Å; F628-R631 HydrophobicContact CB-CG 3.74Å; F628-R631 WeakPolarHBondContact CB-O 3.47Å; F628-R631 HydrophobicContact CD2-CG 3.92Å; F628-R631 VanDerWaalsContact CE1-NH2 3.32Å; F628-R631 HydrophobicContact CG-CG 4.1Å; F628-R631 PolarHBondContact N-O 3.27Å; F628-R631 PolarHBondContact O-N 3.44Å; F628-R631 VanDerWaalsContact O-O 3.09Å; F628-E633 HydrophobicContact CD2-CG 4.25Å; F628-E633 HydrophobicContact CE2-CB 4.48Å; F628-E633 VanDerWaalsContact CE2-CD 3.48Å; F628-E633 HydrophobicContact CE2-CG 4.07Å; F628-E633 WeakPolarHBondContact CE2-OE2 3.45Å
629P85.6Confident89.4Confident52 Ų5248.2 Ų48.234%0.33822%0.218SC..THydrogen-bonded Turntrans-54.2-29.9179-27.634.7000114.2D602 I604D602-P629 VanDerWaalsContact O-CD 3.23Å; D602-P629 WeakPolarHBondContact O-CD 3.32Å; I604-P629 HydrophobicContact CD1-CG 4.14Å; I604-P629 HydrophobicContact CG1-CG 4.24Å
630N87.6Confident88.6Confident80 Ų8050.8 Ų50.843%0.42823%0.229SC..THydrogen-bonded Turntrans-116.5-4-175.269.1-24000114.8F628 M653F628-N630 PolarHBondContact O-N 3.16Å; N630-M653 WeakPolarHBondContact O-CB 3.31Å; N630-M653 PolarHBondContact O-N 3.38Å
631R92.3Very high87.8Confident52 Ų5249.2 Ų49.220%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-159.8160.2-174.465.2-169.3-174.7-71.2-3.3113.5F628 E633 I651F628-R631 HydrophobicContact CB-CG 3.74Å; F628-R631 WeakPolarHBondContact CB-O 3.47Å; F628-R631 HydrophobicContact CD2-CG 3.92Å; F628-R631 VanDerWaalsContact CE1-NH2 3.32Å; F628-R631 HydrophobicContact CG-CG 4.1Å; F628-R631 PolarHBondContact N-O 3.27Å; F628-R631 PolarHBondContact O-N 3.44Å; F628-R631 VanDerWaalsContact O-O 3.09Å; R631-E633 HydrophobicContact CG-CG 4.4Å; R631-E633 IonicContact CZ-OE1 2.98Å; R631-E633 IonicContact NE-OE1 2.82Å; R631-E633 PolarHBondContact NE-OE1 2.96Å; R631-E633 IonicContact NH2-OE1 2.73Å; R631-E633 PolarHBondContact NH2-OE1 3.23Å; R631-I651 CarbonylContact C-O 3.55Å; R631-I651 VanDerWaalsContact CA-O 3.31Å; R631-I651 WeakPolarHBondContact CA-O 3.48Å
632I94.4Very high87.2Confident1 Ų146.6 Ų46.61%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-115.3130.2170.8-58.5179.8000107.7L625 L627 I651 M653 I656 I675 I700L625-I632 HydrophobicContact CD1-CG2 3.23Å; L625-I632 HydrophobicContact CG-CG2 4.48Å; L627-I632 HydrophobicContact CD1-CG1 3.93Å; I632-I651 HydrophobicContact CB-CB 4.36Å; I632-I651 PolarHBondContact N-O 2.72Å; I632-I651 PolarHBondContact O-N 3.32Å; I632-M653 HydrophobicContact CD1-CE 4.05Å; I632-M653 HydrophobicContact CD1-SD 4.45Å; I632-M653 HydrophobicContact CG1-CE 3.63Å; I632-M653 HydrophobicContact CG1-SD 4.34Å; I632-I656 HydrophobicContact CD1-CD1 4.21Å; I632-I675 HydrophobicContact CD1-CD1 4.08Å; I632-I700 HydrophobicContact CD1-CG1 4.37Å; I632-I700 HydrophobicContact CD1-CG2 4.04Å
633E95.1Very high86.8Confident17 Ų1741 Ų418%0.07920%0.199CC..EExtended strand (participates in β ladder)trans-120.6127.6177.4-62.9178.7-179.900110.6L625 R626 F628 R631 Y635 V648 L650L625-E633 CarbonylContact C-O 3.58Å; L625-E633 WeakPolarHBondContact CA-O 3.16Å; R626-E633 HydrophobicContact CB-CB 4.34Å; R626-E633 PolarHBondContact N-O 2.93Å; R626-E633 PolarHBondContact O-N 3.14Å; F628-E633 HydrophobicContact CD2-CG 4.25Å; F628-E633 HydrophobicContact CE2-CB 4.48Å; F628-E633 VanDerWaalsContact CE2-CD 3.48Å; F628-E633 HydrophobicContact CE2-CG 4.07Å; F628-E633 WeakPolarHBondContact CE2-OE2 3.45Å; R631-E633 HydrophobicContact CG-CG 4.4Å; R631-E633 IonicContact CZ-OE1 2.98Å; R631-E633 IonicContact NE-OE1 2.82Å; R631-E633 PolarHBondContact NE-OE1 2.96Å; R631-E633 IonicContact NH2-OE1 2.73Å; R631-E633 PolarHBondContact NH2-OE1 3.23Å; E633-Y635 HydrophobicContact CB-CD2 4.28Å; E633-Y635 HydrophobicContact CB-CE2 3.54Å; E633-Y635 WeakPolarHBondContact OE2-CE2 3.37Å; E633-Y635 VanDerWaalsContact OE2-CZ 3.29Å; E633-Y635 PolarHBondContact OE2-OH 3.08Å; E633-V648 HydrophobicContact CB-CG1 4.02Å; E633-V648 HydrophobicContact CG-CG1 4.47Å; E633-L650 HydrophobicContact CG-CD1 4.25Å; E633-L650 HydrophobicContact CG-CG 4.37Å
634L94Very high86.4Confident0 Ų044.2 Ų44.20%022%0.217CC..EExtended strand (participates in β ladder)trans-117.4110.3-179.1-78.2148.9000110V609 K611 K623 L625 D649 I651 L683V609-L634 HydrophobicContact CG2-CD2 3.96Å; K611-L634 HydrophobicContact CD-CD1 4.15Å; K623-L634 HydrophobicContact CB-CD2 3.64Å; K623-L634 HydrophobicContact CG-CD2 4.12Å; L625-L634 HydrophobicContact CB-CD2 4.32Å; L625-L634 HydrophobicContact CD1-CD2 3.72Å; L625-L634 HydrophobicContact CD1-CG 3.73Å; L634-D649 HydrophobicContact CB-CB 4.02Å; L634-D649 PolarHBondContact N-O 2.84Å; L634-D649 PolarHBondContact O-N 3.27Å; L634-I651 HydrophobicContact CD1-CD1 4.45Å; L634-L683 HydrophobicContact CD1-CD1 4.39Å; L634-L683 HydrophobicContact CD1-CD2 4.35Å
635Y93Very high85.9Confident24 Ų2450.5 Ų50.59%0.09424%0.244CC..EExtended strand (participates in β ladder)trans-98.7147.9-178.4-62.8-104000111.9K623 H624 R626 E633 I643 V648K623-Y635 CarbonylContact C-O 3.51Å; K623-Y635 VanDerWaalsContact CA-O 3.3Å; K623-Y635 WeakPolarHBondContact CA-O 3.36Å; K623-Y635 WeakPolarHBondContact CD-O 3.24Å; H624-Y635 PolarHBondContact N-O 3.32Å; H624-Y635 PolarHBondContact O-N 3.01Å; R626-Y635 HydrophobicContact CB-CE2 4.44Å; R626-Y635 HydrophobicContact CG-CD2 4.48Å; R626-Y635 HydrophobicContact CG-CE2 4.13Å; E633-Y635 HydrophobicContact CB-CD2 4.28Å; E633-Y635 HydrophobicContact CB-CE2 3.54Å; E633-Y635 WeakPolarHBondContact OE2-CE2 3.37Å; E633-Y635 VanDerWaalsContact OE2-CZ 3.29Å; E633-Y635 PolarHBondContact OE2-OH 3.08Å; Y635-I643 HydrophobicContact CD1-CG2 3.57Å; Y635-I643 HydrophobicContact CE1-CG2 4.37Å; Y635-I643 HydrophobicContact CG-CG2 3.67Å; Y635-V648 HydrophobicContact CD1-CB 4.45Å; Y635-V648 HydrophobicContact CD1-CG1 4.33Å; Y635-V648 HydrophobicContact CD1-CG2 3.39Å; Y635-V648 HydrophobicContact CD2-CG1 4.33Å; Y635-V648 HydrophobicContact CE1-CB 4.35Å; Y635-V648 HydrophobicContact CE1-CG1 4.11Å; Y635-V648 HydrophobicContact CE1-CG2 3.28Å; Y635-V648 HydrophobicContact CE2-CG1 4.09Å; Y635-V648 HydrophobicContact CG-CG1 4.43Å; Y635-V648 HydrophobicContact CG-CG2 4.17Å
636N90Very high85.3Confident55 Ų5559.6 Ų59.629%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-77.9153.6165.5-67.9-50.8000110.5K623 L644K623-N636 WeakPolarHBondContact CE-OD1 3.44Å; K623-N636 PolarHBondContact NZ-OD1 3.07Å; N636-L644 HydrophobicContact CB-CB 4.35Å; N636-L644 HydrophobicContact CB-CD1 4.12Å; N636-L644 WeakPolarHBondContact O-CB 3.32Å; N636-L644 PolarHBondContact O-N 3.1Å
637K82.4Confident84.7Confident43 Ų4361.5 Ų61.519%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-109.5145.1167.9-74.3-172.3169.2-1740111D608 H624 L642D608-K637 WeakPolarHBondContact OD1-CE 3.39Å; D608-K637 IonicContact OD1-NZ 2.61Å; D608-K637 PolarHBondContact OD1-NZ 2.93Å; D608-K637 IonicContact OD2-NZ 3.9Å; D608-K637 PolarHBondContact OD2-NZ 3.32Å; H624-K637 HydrophobicContact CB-CG 4.38Å; K637-L642 CarbonylContact C-O 3.56Å; K637-L642 VanDerWaalsContact CA-O 3.24Å; K637-L642 WeakPolarHBondContact CA-O 3.29Å
638S80.4Confident84.6Confident32 Ų3263.7 Ų63.722%0.22432%0.32CS..  trans-67.8170.8169.280.10000110.7D640 G641 L642S638-D640 PolarHBondContact O-N 3.43Å; S638-D640 PolarHBondContact OG-N 2.81Å; S638-G641 PolarHBondContact O-N 3.39Å; S638-L642 PolarHBondContact N-O 3.37Å; S638-L642 PolarHBondContact OG-N 3.13Å
639R74.6Confident84.6Confident260 Ų26066.3 Ų66.398%0.98134%0.335SS*.THydrogen-bonded Turntrans-55.3-30.3171.7-93.2-174.1174-179.3-1.5113G641R639-G641 VanDerWaalsContact C-N 3.28Å; R639-G641 PolarHBondContact O-N 2.97Å
640D71.6Confident84.9Confident123 Ų12369 Ų6966%0.65835%0.346SS*.THydrogen-bonded Turntrans-87.75.5179.1-55.8-48.9000113.1S638S638-D640 PolarHBondContact O-N 3.43Å; S638-D640 PolarHBondContact OG-N 2.81Å
641G73.5Confident85.2Confident21 Ų2166 Ų6622%0.21633%0.33CS..SBendtrans80.99.7178.200000115S638 R639S638-G641 PolarHBondContact O-N 3.39Å; R639-G641 VanDerWaalsContact C-N 3.28Å; R639-G641 PolarHBondContact O-N 2.97Å
642L78Confident85.2Confident30 Ų3064.9 Ų64.916%0.15733%0.33CS..  trans-76.3136.4176.2-68.6164.8000110.8A548 R549 K637 S638 L644A548-L642 HydrophobicContact CB-CD1 4.16Å; A548-L642 HydrophobicContact CB-CD2 4.49Å; R549-L642 HydrophobicContact CB-CD2 4.27Å; R549-L642 HydrophobicContact CG-CD2 3.26Å; K637-L642 CarbonylContact C-O 3.56Å; K637-L642 VanDerWaalsContact CA-O 3.24Å; K637-L642 WeakPolarHBondContact CA-O 3.29Å; S638-L642 PolarHBondContact N-O 3.37Å; S638-L642 PolarHBondContact OG-N 3.13Å; L642-L644 PolarHBondContact O-N 2.9Å
643I81Confident85.1Confident37 Ų3765 Ų6519%0.1933%0.33CS..EExtended strand (participates in β ladder)trans-68.1124.3176.6-60.9167.7000108.9H624 Y635H624-I643 HydrophobicContact CB-CG1 4.23Å; H624-I643 WeakPolarHBondContact CD2-CD1 3.45Å; H624-I643 WeakPolarHBondContact NE2-CD1 3.47Å; Y635-I643 HydrophobicContact CD1-CG2 3.57Å; Y635-I643 HydrophobicContact CE1-CG2 4.37Å; Y635-I643 HydrophobicContact CG-CG2 3.67Å
644L83.4Confident84.7Confident77 Ų7767.2 Ų67.240%0.40334%0.343SS..EExtended strand (participates in β ladder)trans-91.7113.8177.1-63.7172.4000109.1N636 L642 K646N636-L644 HydrophobicContact CB-CB 4.35Å; N636-L644 HydrophobicContact CB-CD1 4.12Å; N636-L644 WeakPolarHBondContact O-CB 3.32Å; N636-L644 PolarHBondContact O-N 3.1Å; L642-L644 PolarHBondContact O-N 2.9Å; L644-K646 PolarHBondContact O-N 3.43Å
645K80.2Confident84.7Confident135 Ų13571.4 Ų71.459%0.58737%0.365SS*.EExtended strand (participates in β ladder)trans-70.5-12.9178.3-64.7-171.3178-174.70114D597 V648D597-K645 WeakPolarHBondContact OD2-CE 3.46Å; D597-K645 IonicContact OD2-NZ 2.77Å; D597-K645 PolarHBondContact OD2-NZ 3.26Å; K645-V648 WeakPolarHBondContact O-CG2 3.5Å
646K80.6Confident84.7Confident192 Ų19270.4 Ų70.484%0.83536%0.361SS*.EExtended strand (participates in β ladder)trans-88.9137173.8-81.3-173.3174.6-179.50111L644L644-K646 PolarHBondContact O-N 3.43Å
647G79.3Confident84.9Confident53 Ų5372.2 Ų72.255%0.54637%0.366SS..EExtended strand (participates in β ladder)trans76.540.6176.100000113.7
648V88Confident85.4Confident46 Ų4674.6 Ų74.628%0.27938%0.378SS..EExtended strand (participates in β ladder)trans-73.9127175.3-176.20000109.2E633 Y635 K645 L650E633-V648 HydrophobicContact CB-CG1 4.02Å; E633-V648 HydrophobicContact CG-CG1 4.47Å; Y635-V648 HydrophobicContact CD1-CB 4.45Å; Y635-V648 HydrophobicContact CD1-CG1 4.33Å; Y635-V648 HydrophobicContact CD1-CG2 3.39Å; Y635-V648 HydrophobicContact CD2-CG1 4.33Å; Y635-V648 HydrophobicContact CE1-CB 4.35Å; Y635-V648 HydrophobicContact CE1-CG1 4.11Å; Y635-V648 HydrophobicContact CE1-CG2 3.28Å; Y635-V648 HydrophobicContact CE2-CG1 4.09Å; Y635-V648 HydrophobicContact CG-CG1 4.43Å; Y635-V648 HydrophobicContact CG-CG2 4.17Å; K645-V648 WeakPolarHBondContact O-CG2 3.5Å; V648-L650 PolarHBondContact O-N 3.33Å
649D90.7Very high86.1Confident63 Ų6373.9 Ų73.934%0.33737%0.372SS..EExtended strand (participates in β ladder)trans-83107.9167.5-70.7-35.7000107.7K611 K623 L634K611-D649 IonicContact NZ-OD2 3.66Å; K611-D649 PolarHBondContact NZ-OD2 3.42Å; K623-D649 IonicContact NZ-OD2 2.71Å; L634-D649 HydrophobicContact CB-CB 4.02Å; L634-D649 PolarHBondContact N-O 2.84Å; L634-D649 PolarHBondContact O-N 3.27Å
650L93.1Very high87Confident107 Ų10763.6 Ų63.656%0.5634%0.339SS*.EExtended strand (participates in β ladder)trans-102.1127.8178-175.1149.8000109.9E633 V648E633-L650 HydrophobicContact CG-CD1 4.25Å; E633-L650 HydrophobicContact CG-CG 4.37Å; V648-L650 PolarHBondContact O-N 3.33Å
651I93.4Very high87.8Confident18 Ų1861.8 Ų61.89%0.09233%0.334CS..EExtended strand (participates in β ladder)trans-123.8112.6179.1-57.8174000107.6R631 I632 L634 I656 L677 L683R631-I651 CarbonylContact C-O 3.55Å; R631-I651 VanDerWaalsContact CA-O 3.31Å; R631-I651 WeakPolarHBondContact CA-O 3.48Å; I632-I651 HydrophobicContact CB-CB 4.36Å; I632-I651 PolarHBondContact N-O 2.72Å; I632-I651 PolarHBondContact O-N 3.32Å; L634-I651 HydrophobicContact CD1-CD1 4.45Å; I651-I656 HydrophobicContact CG2-CG1 4.19Å; I651-L677 HydrophobicContact CG2-CD2 3.74Å; I651-L683 HydrophobicContact CD1-CD1 4.42Å; I651-L683 HydrophobicContact CD1-CD2 3.52Å; I651-L683 HydrophobicContact CD1-CG 4.46Å
652S92.2Very high88.8Confident29 Ų2967.1 Ų67.120%0.20335%0.354CS..EExtended strand (participates in β ladder)trans-66.3139.9172.9-179.20000109.8L654 D655S652-L654 PolarHBondContact O-N 2.92Å; S652-L654 VanDerWaalsContact O-N 3.11Å; S652-L654 WeakPolarHBondContact OG-CB 3.5Å; S652-L654 PolarHBondContact OG-N 2.98Å; S652-D655 WeakPolarHBondContact CB-OD2 3.44Å; S652-D655 PolarHBondContact O-N 3.48Å
653M91.8Very high89.5Confident2 Ų268.3 Ų68.31%0.0136%0.358CS..G310 helixtrans-57.3-25.5170.1-71.5-62-179.100111.5L627 N630 I632 D655 I656 S707L627-M653 HydrophobicContact CD1-CE 3.18Å; N630-M653 WeakPolarHBondContact O-CB 3.31Å; N630-M653 PolarHBondContact O-N 3.38Å; I632-M653 HydrophobicContact CD1-CE 4.05Å; I632-M653 HydrophobicContact CD1-SD 4.45Å; I632-M653 HydrophobicContact CG1-CE 3.63Å; I632-M653 HydrophobicContact CG1-SD 4.34Å; M653-D655 VanDerWaalsContact C-N 3.31Å; M653-D655 PolarHBondContact O-N 2.8Å; M653-I656 PolarHBondContact O-N 3.13Å; M653-I656 HydrophobicContact SD-CD1 3.68Å; M653-S707 WeakPolarHBondContact CB-OG 3.46Å
654L88.4Confident90.1Very high65 Ų6568 Ų6834%0.3436%0.359SS..G310 helixtrans-74.6-19.6177.5-51.2-170.6000113.5S652 I656 K678 S707 M711S652-L654 PolarHBondContact O-N 2.92Å; S652-L654 VanDerWaalsContact O-N 3.11Å; S652-L654 WeakPolarHBondContact OG-CB 3.5Å; S652-L654 PolarHBondContact OG-N 2.98Å; L654-I656 VanDerWaalsContact C-N 3.33Å; L654-K678 WeakPolarHBondContact O-CD 3.4Å; L654-K678 WeakPolarHBondContact O-CE 3.5Å; L654-K678 PolarHBondContact O-NZ 3.07Å; L654-S707 WeakPolarHBondContact CD2-OG 3.39Å; L654-M711 HydrophobicContact CD1-SD 3.76Å; L654-M711 HydrophobicContact CD2-CE 3.7Å; L654-M711 HydrophobicContact CD2-CG 3.43Å; L654-M711 VanDerWaalsContact CD2-CG 3.43Å; L654-M711 HydrophobicContact CD2-SD 3.4Å; L654-M711 WeakPolarHBondContact CD2-SD 3.35Å; L654-M711 HydrophobicContact CG-SD 4.1Å
655D92.8Very high90.5Very high88 Ų8872.7 Ų72.747%0.47137%0.371SS..G310 helixtrans-88.2-8.4177.9-63.6-32000112S652 M653 L677 K678S652-D655 WeakPolarHBondContact CB-OD2 3.44Å; S652-D655 PolarHBondContact O-N 3.48Å; M653-D655 VanDerWaalsContact C-N 3.31Å; M653-D655 PolarHBondContact O-N 2.8Å; D655-L677 CarbonylContact O-C 3.59Å; D655-L677 WeakPolarHBondContact O-CA 3.43Å; D655-K678 PolarHBondContact O-N 3.09Å
656I93.6Very high91Very high2 Ų267.4 Ų67.41%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-77133.1174.7-59.3178000109I632 I651 M653 L654 I659 I675 L677 Y704I632-I656 HydrophobicContact CD1-CD1 4.21Å; I651-I656 HydrophobicContact CG2-CG1 4.19Å; M653-I656 PolarHBondContact O-N 3.13Å; M653-I656 HydrophobicContact SD-CD1 3.68Å; L654-I656 VanDerWaalsContact C-N 3.33Å; I656-I659 HydrophobicContact CG2-CD1 4.25Å; I656-I659 HydrophobicContact CG2-CG1 3.82Å; I656-I675 HydrophobicContact CB-CG2 4.49Å; I656-I675 HydrophobicContact CD1-CG2 3.99Å; I656-I675 HydrophobicContact CG1-CG2 3.96Å; I656-I675 HydrophobicContact CG2-CG2 3.83Å; I656-L677 HydrophobicContact CG1-CD2 3.94Å; I656-Y704 HydrophobicContact CB-CD2 3.85Å; I656-Y704 HydrophobicContact CB-CE2 3.69Å; I656-Y704 HydrophobicContact CD1-CD2 4.42Å; I656-Y704 HydrophobicContact CG2-CD2 3.75Å; I656-Y704 HydrophobicContact CG2-CE2 3.56Å; I656-Y704 HydrophobicContact CG2-CG 4.43Å
657K93.1Very high91.4Very high93 Ų9361.1 Ų61.140%0.40433%0.33SS..EExtended strand (participates in β ladder)trans-97.1-45.9176.8178174.1178.2170.70111.2K676 K678 D680 Y704K657-K676 WeakPolarHBondContact CB-O 3.26Å; K657-K676 HydrophobicContact CD-CD 4.34Å; K657-K676 PolarHBondContact N-O 3.04Å; K657-K678 HydrophobicContact CB-CG 4.07Å; K657-D680 IonicContact NZ-OD1 3.77Å; K657-D680 PolarHBondContact NZ-OD1 3.34Å; K657-D680 IonicContact NZ-OD2 3.08Å; K657-Y704 PolarHBondContact O-OH 3.49Å
658E93.6Very high91.7Very high93 Ų9367.6 Ų67.644%0.43534%0.343SS..EExtended strand (participates in β ladder)trans-156.3150.9176.960.4-179.1-172.300110K676E658-K676 HydrophobicContact CG-CB 3.6Å; E658-K676 HydrophobicContact CG-CD 3.89Å; E658-K676 HydrophobicContact CG-CG 4.3Å; E658-K676 PolarHBondContact N-O 3.25Å; E658-K676 PolarHBondContact O-N 3.01Å; E658-K676 WeakPolarHBondContact OE1-CD 3.39Å; E658-K676 IonicContact OE1-NZ 3.81Å
659I94.4Very high91.8Very high17 Ų1767.8 Ų67.89%0.08734%0.342CS..EExtended strand (participates in β ladder)trans-117.5131.3167.9-60.2157.5000106.2I656 I673 I675 I700 L701 Y704I656-I659 HydrophobicContact CG2-CD1 4.25Å; I656-I659 HydrophobicContact CG2-CG1 3.82Å; I659-I673 HydrophobicContact CG2-CG2 4.32Å; I659-I675 HydrophobicContact CG1-CG1 4.27Å; I659-I675 HydrophobicContact CG1-CG2 4.13Å; I659-I675 HydrophobicContact CG2-CG1 4.4Å; I659-I700 HydrophobicContact CD1-CG2 3.78Å; I659-L701 HydrophobicContact CB-CD2 3.77Å; I659-L701 HydrophobicContact CD1-CD2 4.32Å; I659-L701 HydrophobicContact CG2-CD2 3.65Å; I659-L701 HydrophobicContact CG2-CG 4.18Å; I659-Y704 VanDerWaalsContact CD1-CB 3.42Å; I659-Y704 HydrophobicContact CD1-CD1 3.83Å; I659-Y704 HydrophobicContact CD1-CD2 4.33Å; I659-Y704 HydrophobicContact CD1-CG 3.6Å
660S93.7Very high91.7Very high44 Ų4468.5 Ų68.531%0.30835%0.345SS..  trans-66.5129.2177.6-164.20000110E662 S674S660-E662 VanDerWaalsContact C-N 3.28Å; S660-E662 PolarHBondContact OG-O 2.74Å; S660-S674 PolarHBondContact N-O 3.47Å
661P89.5Confident91.7Very high85 Ų8565.9 Ų65.955%0.55233%0.332SS*.SBendtrans-69.9-31.417827.4-33.2000111.6K697P661-K697 PolarHBondContact O-NZ 3.36Å
662E93.2Very high91.8Very high133 Ų13365 Ų6562%0.62133%0.328SS*.SBendtrans-91.6150.9178.6-62.8-52.914500111.7S660S660-E662 VanDerWaalsContact C-N 3.28Å; S660-E662 PolarHBondContact OG-O 2.74Å
663F94.2Very high92Very high56 Ų5663.7 Ų63.725%0.24632%0.318CS..  trans-71.1144.9169.3-77.4-60.6000110.9N671 I673 I693 K697F663-N671 HydrophobicContact CD1-CB 4.15Å; F663-N671 VanDerWaalsContact CD1-O 3.24Å; F663-N671 WeakPolarHBondContact CD1-O 3.47Å; F663-N671 HydrophobicContact CE1-CB 4.39Å; F663-N671 WeakPolarHBondContact CE1-O 3.48Å; F663-N671 HydrophobicContact CG-CB 4.26Å; F663-I673 HydrophobicContact CD1-CG1 4.46Å; F663-I673 HydrophobicContact CE1-CG1 3.87Å; F663-I693 HydrophobicContact CE1-CG1 4.04Å; F663-I693 HydrophobicContact CE1-CG2 4.45Å; F663-I693 HydrophobicContact CZ-CG2 4.29Å; F663-K697 HydrophobicContact CD1-CD 4.13Å; F663-K697 HydrophobicContact CD2-CD 4.48Å; F663-K697 HydrophobicContact CE1-CB 4.1Å; F663-K697 HydrophobicContact CE1-CD 3.72Å; F663-K697 HydrophobicContact CE1-CG 4.36Å; F663-K697 HydrophobicContact CE2-CD 4.09Å; F663-K697 HydrophobicContact CZ-CB 3.97Å; F663-K697 HydrophobicContact CZ-CD 3.7Å; F663-K697 HydrophobicContact CZ-CG 4.41Å
664S93.1Very high92.2Very high31 Ų3164.1 Ų64.122%0.21732%0.321CS..EExtended strand (participates in β ladder)trans-111.7151.7176.258.10000111.3C672S664-C672 PolarHBondContact N-O 3.34Å; S664-C672 VanDerWaalsContact O-CB 3.24Å; S664-C672 WeakPolarHBondContact O-CB 3.29Å; S664-C672 PolarHBondContact O-N 2.82Å; S664-C672 PolarHBondContact OG-O 3.42Å
665R92.5Very high92.5Very high174 Ų17461.1 Ų61.166%0.65731%0.305SS*.EExtended strand (participates in β ladder)trans-95.4118.3166.1-177.8177.3-177.9113.4-7108.7M669 D670R665-M669 CarbonylContact C-O 3.49Å; R665-M669 WeakPolarHBondContact CA-O 3.17Å; R665-D670 WeakPolarHBondContact CD-OD1 3.32Å; R665-D670 WeakPolarHBondContact CG-OD1 3.33Å; R665-D670 IonicContact CZ-OD1 2.79Å; R665-D670 IonicContact NE-OD1 3.43Å; R665-D670 IonicContact NH1-OD1 2.92Å; R665-D670 PolarHBondContact NH1-OD1 3.08Å; R665-D670 IonicContact NH1-OD2 3.67Å; R665-D670 PolarHBondContact NH1-OD2 2.68Å
666V91Very high92.6Very high24 Ų2458.9 Ų58.915%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-135.6131.2-176.1-174.80000109.2L612 K668 M669 C672 Y684L612-V666 HydrophobicContact CD2-CG1 3.76Å; V666-K668 VanDerWaalsContact C-N 3.27Å; V666-K668 PolarHBondContact O-N 2.72Å; V666-K668 VanDerWaalsContact O-N 3.15Å; V666-M669 PolarHBondContact N-O 2.89Å; V666-M669 PolarHBondContact O-N 2.98Å; V666-C672 HydrophobicContact CB-CB 4.4Å; V666-C672 HydrophobicContact CG2-CB 4.16Å; V666-Y684 HydrophobicContact CB-CD1 4.47Å; V666-Y684 HydrophobicContact CG1-CD1 4.4Å; V666-Y684 HydrophobicContact CG1-CD2 4.42Å; V666-Y684 HydrophobicContact CG1-CG 4.33Å; V666-Y684 HydrophobicContact CG2-CD1 3.78Å; V666-Y684 HydrophobicContact CG2-CE1 3.76Å; V666-Y684 HydrophobicContact CG2-CG 4.47Å
667C88.6Confident92.7Very high61 Ų6159.9 Ų59.941%0.41230%0.297SS..THydrogen-bonded Turntrans47.746.7176.5-64.60000113.9L612 M669L612-C667 HydrophobicContact CD1-CB 4.3Å; C667-M669 PolarHBondContact O-N 3.18Å; C667-M669 VanDerWaalsContact O-N 3.16Å
668K86Confident92.7Very high189 Ų18961 Ų6182%0.82230%0.302SS*.THydrogen-bonded Turntrans66.61.1-178.2-50.6176.3-179.9177.80115.9V666V666-K668 VanDerWaalsContact C-N 3.27Å; V666-K668 PolarHBondContact O-N 2.72Å; V666-K668 VanDerWaalsContact O-N 3.15Å
669M88Confident92.6Very high50 Ų5061.9 Ų61.925%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-93.3134.4170-78.8-105.4152.700109.7L610 W620 R665 V666 C667 C672 T686L610-M669 HydrophobicContact CD1-CE 4.26Å; L610-M669 HydrophobicContact CD1-SD 4.2Å; W620-M669 HydrophobicContact CD2-CG 4.4Å; W620-M669 HydrophobicContact CZ2-CB 3.72Å; W620-M669 HydrophobicContact CZ2-CG 4.06Å; R665-M669 CarbonylContact C-O 3.49Å; R665-M669 WeakPolarHBondContact CA-O 3.17Å; V666-M669 PolarHBondContact N-O 2.89Å; V666-M669 PolarHBondContact O-N 2.98Å; C667-M669 PolarHBondContact O-N 3.18Å; C667-M669 VanDerWaalsContact O-N 3.16Å; M669-C672 PolarHBondContact O-SG 2.67Å; M669-T686 HydrophobicContact CB-CG2 4.19Å; M669-T686 HydrophobicContact CG-CG2 4.23Å; M669-T686 HydrophobicContact SD-CG2 3.6Å; M669-T686 VanDerWaalsContact SD-CG2 3.6Å
670D89.6Confident92.4Very high78 Ų7865.5 Ų65.542%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-88.9175.5170.6-65.1-48.2000109.9R665 C672 T686R665-D670 WeakPolarHBondContact CD-OD1 3.32Å; R665-D670 WeakPolarHBondContact CG-OD1 3.33Å; R665-D670 IonicContact CZ-OD1 2.79Å; R665-D670 IonicContact NE-OD1 3.43Å; R665-D670 IonicContact NH1-OD1 2.92Å; R665-D670 PolarHBondContact NH1-OD1 3.08Å; R665-D670 IonicContact NH1-OD2 3.67Å; R665-D670 PolarHBondContact NH1-OD2 2.68Å; D670-C672 PolarHBondContact O-N 2.9Å; D670-C672 VanDerWaalsContact O-N 3.15Å; D670-T686 PolarHBondContact O-OG1 3.24Å; D670-T686 VanDerWaalsContact O-OG1 3.08Å
671N93.5Very high92.3Very high52 Ų5266.7 Ų66.728%0.27833%0.334SS..EExtended strand (participates in β ladder)trans54.833.6175.2-55.9-31.7000114.9F663 I693F663-N671 HydrophobicContact CD1-CB 4.15Å; F663-N671 VanDerWaalsContact CD1-O 3.24Å; F663-N671 WeakPolarHBondContact CD1-O 3.47Å; F663-N671 HydrophobicContact CE1-CB 4.39Å; F663-N671 WeakPolarHBondContact CE1-O 3.48Å; F663-N671 HydrophobicContact CG-CB 4.26Å; N671-I693 HydrophobicContact CB-CG2 3.93Å; N671-I693 VanDerWaalsContact O-CG1 3.27Å; N671-I693 WeakPolarHBondContact O-CG1 3.47Å
672C95.7Very high92.4Very high0 Ų068.9 Ų68.90%033%0.332CS..EExtended strand (participates in β ladder)trans-80.8124.4179.3-60.50000111S664 V666 M669 D670 I685S664-C672 PolarHBondContact N-O 3.34Å; S664-C672 VanDerWaalsContact O-CB 3.24Å; S664-C672 WeakPolarHBondContact O-CB 3.29Å; S664-C672 PolarHBondContact O-N 2.82Å; S664-C672 PolarHBondContact OG-O 3.42Å; V666-C672 HydrophobicContact CB-CB 4.4Å; V666-C672 HydrophobicContact CG2-CB 4.16Å; M669-C672 PolarHBondContact O-SG 2.67Å; D670-C672 PolarHBondContact O-N 2.9Å; D670-C672 VanDerWaalsContact O-N 3.15Å; C672-I685 CarbonylContact C-O 3.55Å; C672-I685 WeakPolarHBondContact CA-O 3.46Å
673I96.4Very high92.4Very high1 Ų163.1 Ų63.11%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-72.3123.4165.9-55.8171.8000107.6I659 F663 I675 Y684 I685 I693 W696 K697 I700I659-I673 HydrophobicContact CG2-CG2 4.32Å; F663-I673 HydrophobicContact CD1-CG1 4.46Å; F663-I673 HydrophobicContact CE1-CG1 3.87Å; I673-I675 HydrophobicContact CG2-CD1 4.39Å; I673-I675 HydrophobicContact CG2-CG1 3.98Å; I673-Y684 WeakPolarHBondContact O-CA 3.3Å; I673-I685 HydrophobicContact CB-CB 4.43Å; I673-I685 PolarHBondContact N-O 3.3Å; I673-I685 PolarHBondContact O-N 3.34Å; I673-I693 HydrophobicContact CD1-CD1 3.52Å; I673-I693 HydrophobicContact CD1-CG1 4.22Å; I673-I693 HydrophobicContact CG1-CD1 3.87Å; I673-I693 HydrophobicContact CG1-CG1 4.22Å; I673-W696 HydrophobicContact CD1-CB 3.89Å; I673-K697 HydrophobicContact CD1-CB 3.83Å; I673-K697 HydrophobicContact CG1-CB 3.96Å; I673-K697 HydrophobicContact CG1-CG 4.24Å; I673-I700 HydrophobicContact CD1-CD1 4.24Å
674S95.5Very high92.4Very high11 Ų1162.1 Ų62.18%0.07730%0.3CS..EExtended strand (participates in β ladder)trans-107.5112.4178.3173.30000110.1S660S660-S674 PolarHBondContact N-O 3.47Å
675I95.3Very high92.5Very high1 Ų160.6 Ų60.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-109.6121.7177.5-51.5-174.9000108.4I632 I656 I659 I673 L677 R682 L683 I685 I700I632-I675 HydrophobicContact CD1-CD1 4.08Å; I656-I675 HydrophobicContact CB-CG2 4.49Å; I656-I675 HydrophobicContact CD1-CG2 3.99Å; I656-I675 HydrophobicContact CG1-CG2 3.96Å; I656-I675 HydrophobicContact CG2-CG2 3.83Å; I659-I675 HydrophobicContact CG1-CG1 4.27Å; I659-I675 HydrophobicContact CG1-CG2 4.13Å; I659-I675 HydrophobicContact CG2-CG1 4.4Å; I673-I675 HydrophobicContact CG2-CD1 4.39Å; I673-I675 HydrophobicContact CG2-CG1 3.98Å; I675-L677 HydrophobicContact CG2-CD2 4.2Å; I675-R682 CarbonylContact O-C 3.49Å; I675-R682 WeakPolarHBondContact O-CA 3.35Å; I675-L683 HydrophobicContact CB-CB 4.26Å; I675-L683 HydrophobicContact CD1-CD2 4.18Å; I675-L683 PolarHBondContact N-O 2.75Å; I675-L683 PolarHBondContact O-N 3.26Å; I675-I685 HydrophobicContact CD1-CD1 4.44Å; I675-I700 HydrophobicContact CD1-CG2 3.89Å
676K95Very high92.7Very high41 Ų4152.4 Ų52.418%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-101.4127.7174.8-173.5-178.3-179.3-179.10109.3K657 E658 D680 R682K657-K676 WeakPolarHBondContact CB-O 3.26Å; K657-K676 HydrophobicContact CD-CD 4.34Å; K657-K676 PolarHBondContact N-O 3.04Å; E658-K676 HydrophobicContact CG-CB 3.6Å; E658-K676 HydrophobicContact CG-CD 3.89Å; E658-K676 HydrophobicContact CG-CG 4.3Å; E658-K676 PolarHBondContact N-O 3.25Å; E658-K676 PolarHBondContact O-N 3.01Å; E658-K676 WeakPolarHBondContact OE1-CD 3.39Å; E658-K676 IonicContact OE1-NZ 3.81Å; K676-D680 WeakPolarHBondContact CE-OD1 3.31Å; K676-D680 IonicContact NZ-OD1 3.7Å; K676-D680 PolarHBondContact NZ-OD1 2.9Å; K676-R682 HydrophobicContact CB-CG 4.41Å; K676-R682 HydrophobicContact CG-CG 4.34Å
677L94.4Very high92.7Very high23 Ų2352.1 Ų52.112%0.1226%0.258CS..EExtended strand (participates in β ladder)trans-89.4163.7178-57.1-173.7000111.1I651 D655 I656 I675 N679 D680 T681I651-L677 HydrophobicContact CG2-CD2 3.74Å; D655-L677 CarbonylContact O-C 3.59Å; D655-L677 WeakPolarHBondContact O-CA 3.43Å; I656-L677 HydrophobicContact CG1-CD2 3.94Å; I675-L677 HydrophobicContact CG2-CD2 4.2Å; L677-N679 WeakPolarHBondContact CB-OD1 3.31Å; L677-N679 PolarHBondContact O-N 3.07Å; L677-D680 WeakPolarHBondContact O-CA 3.4Å; L677-D680 PolarHBondContact O-N 3.15Å; L677-T681 WeakPolarHBondContact CD1-OG1 3.31Å; L677-T681 PolarHBondContact N-O 2.96Å
678K93.1Very high92.6Very high118 Ų11854.9 Ų54.951%0.51327%0.269SS..THydrogen-bonded Turntrans-64.6-25.2-179.5-76179.7176.3172.80114L654 D655 K657 D680L654-K678 WeakPolarHBondContact O-CD 3.4Å; L654-K678 WeakPolarHBondContact O-CE 3.5Å; L654-K678 PolarHBondContact O-NZ 3.07Å; D655-K678 PolarHBondContact O-N 3.09Å; K657-K678 HydrophobicContact CB-CG 4.07Å; K678-D680 PolarHBondContact O-N 2.66Å
679N92.7Very high92.7Very high111 Ų11146.6 Ų46.659%0.59423%0.233SC*.THydrogen-bonded Turntrans-80.914.2170.767.41.4000113.2L677 T681L677-N679 WeakPolarHBondContact CB-OD1 3.31Å; L677-N679 PolarHBondContact O-N 3.07Å; N679-T681 PolarHBondContact O-N 3.17Å; N679-T681 VanDerWaalsContact O-N 3.09Å; N679-T681 WeakPolarHBondContact OD1-CB 3.19Å; N679-T681 WeakPolarHBondContact OD1-CG2 3.44Å; N679-T681 PolarHBondContact OD1-N 2.77Å; N679-T681 VanDerWaalsContact OD1-N 3.08Å; N679-T681 PolarHBondContact OD1-OG1 3.04Å
680D89.3Confident92.7Very high93 Ų9350.3 Ų50.350%0.49725%0.248SC..SBendtrans60.69.6-177.2-68.9-49.7000115.8K657 K676 L677 K678K657-D680 IonicContact NZ-OD1 3.77Å; K657-D680 PolarHBondContact NZ-OD1 3.34Å; K657-D680 IonicContact NZ-OD2 3.08Å; K676-D680 WeakPolarHBondContact CE-OD1 3.31Å; K676-D680 IonicContact NZ-OD1 3.7Å; K676-D680 PolarHBondContact NZ-OD1 2.9Å; L677-D680 WeakPolarHBondContact O-CA 3.4Å; L677-D680 PolarHBondContact O-N 3.15Å; K678-D680 PolarHBondContact O-N 2.66Å
681T91.5Very high92.5Very high68 Ų6847.6 Ų47.642%0.41723%0.233SC..  trans-72.4150.8167.764.90000111.2L677 N679L677-T681 WeakPolarHBondContact CD1-OG1 3.31Å; L677-T681 PolarHBondContact N-O 2.96Å; N679-T681 PolarHBondContact O-N 3.17Å; N679-T681 VanDerWaalsContact O-N 3.09Å; N679-T681 WeakPolarHBondContact OD1-CB 3.19Å; N679-T681 WeakPolarHBondContact OD1-CG2 3.44Å; N679-T681 PolarHBondContact OD1-N 2.77Å; N679-T681 VanDerWaalsContact OD1-N 3.08Å; N679-T681 PolarHBondContact OD1-OG1 3.04Å
682R91.6Very high92.2Very high132 Ų13246 Ų4650%0.49822%0.224SC..EExtended strand (participates in β ladder)trans-116.9134.1178.5-70.9-173.2173.4-169.4-4111.4I675 K676 Y684I675-R682 CarbonylContact O-C 3.49Å; I675-R682 WeakPolarHBondContact O-CA 3.35Å; K676-R682 HydrophobicContact CB-CG 4.41Å; K676-R682 HydrophobicContact CG-CG 4.34Å; R682-Y684 HydrophobicContact CB-CE2 3.87Å; R682-Y684 WeakPolarHBondContact CD-OH 3.42Å; R682-Y684 PolarHBondContact NH1-OH 3.26Å
683L93.1Very high92.1Very high11 Ų1146 Ų466%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-106.3133.1171178.977.5000108.7K611 L634 I651 I675 I685K611-L683 HydrophobicContact CD-CD1 4.01Å; K611-L683 HydrophobicContact CG-CD1 3.77Å; L634-L683 HydrophobicContact CD1-CD1 4.39Å; L634-L683 HydrophobicContact CD1-CD2 4.35Å; I651-L683 HydrophobicContact CD1-CD1 4.42Å; I651-L683 HydrophobicContact CD1-CD2 3.52Å; I651-L683 HydrophobicContact CD1-CG 4.46Å; I675-L683 HydrophobicContact CB-CB 4.26Å; I675-L683 HydrophobicContact CD1-CD2 4.18Å; I675-L683 PolarHBondContact N-O 2.75Å; I675-L683 PolarHBondContact O-N 3.26Å; L683-I685 HydrophobicContact CD2-CD1 3.8Å; L683-I685 HydrophobicContact CD2-CG1 4.05Å; L683-I685 HydrophobicContact CG-CD1 4.43Å; L683-I685 HydrophobicContact CG-CG1 4.14Å
684Y95.2Very high91.9Very high35 Ų3548.5 Ų48.514%0.13724%0.239CC..EExtended strand (participates in β ladder)trans-118127.9173.1-58-81.9000110.2K611 L612 V666 I673 R682K611-Y684 WeakPolarHBondContact CA-O 3.32Å; L612-Y684 HydrophobicContact CB-CD2 4.43Å; L612-Y684 HydrophobicContact CD2-CD2 3.69Å; L612-Y684 HydrophobicContact CD2-CE2 4.38Å; L612-Y684 HydrophobicContact CD2-CG 4.26Å; L612-Y684 PolarHBondContact N-O 3.29Å; V666-Y684 HydrophobicContact CB-CD1 4.47Å; V666-Y684 HydrophobicContact CG1-CD1 4.4Å; V666-Y684 HydrophobicContact CG1-CD2 4.42Å; V666-Y684 HydrophobicContact CG1-CG 4.33Å; V666-Y684 HydrophobicContact CG2-CD1 3.78Å; V666-Y684 HydrophobicContact CG2-CE1 3.76Å; V666-Y684 HydrophobicContact CG2-CG 4.47Å; I673-Y684 WeakPolarHBondContact O-CA 3.3Å; R682-Y684 HydrophobicContact CB-CE2 3.87Å; R682-Y684 WeakPolarHBondContact CD-OH 3.42Å; R682-Y684 PolarHBondContact NH1-OH 3.26Å
685I95.2Very high91.6Very high0 Ų048.4 Ų48.40%024%0.238CC..EExtended strand (participates in β ladder)trans-122.7136.2177.5-57.3177000108.1V609 L610 L625 C672 I673 I675 L683 I693V609-I685 HydrophobicContact CB-CG2 3.68Å; V609-I685 HydrophobicContact CG1-CG2 3.98Å; V609-I685 HydrophobicContact CG2-CG2 3.81Å; L610-I685 CarbonylContact O-C 3.6Å; L610-I685 WeakPolarHBondContact O-CA 3.07Å; L625-I685 HydrophobicContact CD2-CD1 4.28Å; C672-I685 CarbonylContact C-O 3.55Å; C672-I685 WeakPolarHBondContact CA-O 3.46Å; I673-I685 HydrophobicContact CB-CB 4.43Å; I673-I685 PolarHBondContact N-O 3.3Å; I673-I685 PolarHBondContact O-N 3.34Å; I675-I685 HydrophobicContact CD1-CD1 4.44Å; L683-I685 HydrophobicContact CD2-CD1 3.8Å; L683-I685 HydrophobicContact CD2-CG1 4.05Å; L683-I685 HydrophobicContact CG-CD1 4.43Å; L683-I685 HydrophobicContact CG-CG1 4.14Å; I685-I693 HydrophobicContact CG2-CD1 4.33Å
686T95.3Very high91.5Very high1 Ų148.4 Ų48.41%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-143.8167.1173.4-167.30000111.3L610 W620 M669 D670L610-T686 HydrophobicContact CB-CG2 3.84Å; L610-T686 HydrophobicContact CD1-CG2 4.27Å; L610-T686 PolarHBondContact N-O 3.11Å; L610-T686 PolarHBondContact O-N 3.05Å; W620-T686 HydrophobicContact CD2-CG2 4.28Å; W620-T686 HydrophobicContact CE3-CG2 3.78Å; W620-T686 HydrophobicContact CH2-CG2 3.67Å; W620-T686 HydrophobicContact CZ2-CG2 4.19Å; W620-T686 HydrophobicContact CZ3-CG2 3.45Å; W620-T686 VanDerWaalsContact CZ3-CG2 3.45Å; M669-T686 HydrophobicContact CB-CG2 4.19Å; M669-T686 HydrophobicContact CG-CG2 4.23Å; M669-T686 HydrophobicContact SD-CG2 3.6Å; M669-T686 VanDerWaalsContact SD-CG2 3.6Å; D670-T686 PolarHBondContact O-OG1 3.24Å; D670-T686 VanDerWaalsContact O-OG1 3.08Å
687S91.3Very high91.4Very high19 Ų1947.9 Ų47.913%0.13324%0.236CC..  trans-141.9150.2167.4-170.30000109.1D689 M692S687-D689 PolarHBondContact O-N 3.42Å; S687-D689 PolarHBondContact OG-N 3.22Å; S687-M692 PolarHBondContact OG-SD 3.33Å; S687-M692 VanDerWaalsContact OG-SD 3.41Å
688N86Confident91.3Very high119 Ų11949.9 Ų49.964%0.63624%0.244SC*.SBendtrans-70.2-21.8170.2-68.3-15.5000111.6
689D88.9Confident91.1Very high15 Ų1545.7 Ų45.78%0.0823%0.227CC..  trans-83.5115174.9173.3-14.2000109.4N187 S687 I691 M692 I693N187-D689 PolarHBondContact ND2-OD1 2.96Å; N187-D689 PolarHBondContact ND2-OD2 3.1Å; N187-D689 WeakPolarHBondContact OD1-CA 3.41Å; N187-D689 PolarHBondContact OD1-OD1 2.97Å; N187-D689 VanDerWaalsContact OD1-OD1 3.07Å; S687-D689 PolarHBondContact O-N 3.42Å; S687-D689 PolarHBondContact OG-N 3.22Å; D689-I691 PolarHBondContact OD1-N 3.3Å; D689-M692 HydrophobicContact CB-CB 3.76Å; D689-M692 WeakPolarHBondContact OD1-CB 3.37Å; D689-M692 PolarHBondContact OD1-N 3.37Å; D689-M692 WeakPolarHBondContact OD2-CB 3.25Å; D689-I693 WeakPolarHBondContact O-CG2 3.46Å; D689-I693 PolarHBondContact O-N 3.15Å
690K87.1Confident91.1Very high128 Ų12840.4 Ų40.456%0.55720%0.198SC*.Hα-helixtrans-71-34.7-174.4-72.5-176.4-179.6177.20111.8N187 T694N187-K690 PolarHBondContact OD1-N 3.32Å; N187-K690 VanDerWaalsContact OD1-N 3.13Å; K690-T694 VanDerWaalsContact O-CB 3.26Å; K690-T694 WeakPolarHBondContact O-CB 3.31Å; K690-T694 PolarHBondContact O-N 2.92Å; K690-T694 VanDerWaalsContact O-N 3.08Å; K690-T694 PolarHBondContact O-OG1 3.25Å
691I85.6Confident91.3Very high20 Ų2038.5 Ų38.510%0.10319%0.188CC..Hα-helixtrans-70.4-48.2179.5-73.8167.2000109M43 Y46 L186 D689 I693 T694 Q695M43-I691 HydrophobicContact SD-CG2 4.11Å; Y46-I691 HydrophobicContact CD1-CG2 4.45Å; Y46-I691 HydrophobicContact CD2-CG2 3.49Å; Y46-I691 VanDerWaalsContact CD2-CG2 3.49Å; Y46-I691 HydrophobicContact CE2-CD1 4.22Å; Y46-I691 HydrophobicContact CE2-CG1 4.09Å; Y46-I691 HydrophobicContact CE2-CG2 3.89Å; Y46-I691 HydrophobicContact CG-CG2 3.8Å; L186-I691 HydrophobicContact CB-CD1 3.16Å; L186-I691 HydrophobicContact CD1-CD1 3.56Å; L186-I691 HydrophobicContact CG-CD1 3.93Å; D689-I691 PolarHBondContact OD1-N 3.3Å; I691-I693 PolarHBondContact O-N 3.26Å; I691-T694 PolarHBondContact O-N 3.27Å; I691-Q695 WeakPolarHBondContact O-CB 3.4Å; I691-Q695 PolarHBondContact O-N 2.88Å
692M88.7Confident91.2Very high19 Ų1939 Ų399%0.09419%0.185CC..Hα-helixtrans-57.2-49177.9-176.5-165.5-76.500111.7I39 I42 S687 D689 T694 Q695 W696I39-M692 HydrophobicContact CD1-CE 3.25Å; I42-M692 HydrophobicContact CD1-CE 4.48Å; I42-M692 HydrophobicContact CD1-CG 3.49Å; I42-M692 VanDerWaalsContact CD1-CG 3.49Å; I42-M692 HydrophobicContact CD1-SD 4.41Å; I42-M692 HydrophobicContact CG2-CB 4.37Å; I42-M692 HydrophobicContact CG2-CG 4.36Å; S687-M692 PolarHBondContact OG-SD 3.33Å; S687-M692 VanDerWaalsContact OG-SD 3.41Å; D689-M692 HydrophobicContact CB-CB 3.76Å; D689-M692 WeakPolarHBondContact OD1-CB 3.37Å; D689-M692 PolarHBondContact OD1-N 3.37Å; D689-M692 WeakPolarHBondContact OD2-CB 3.25Å; M692-T694 VanDerWaalsContact C-N 3.31Å; M692-T694 PolarHBondContact O-N 2.79Å; M692-Q695 PolarHBondContact O-N 3.21Å; M692-W696 WeakPolarHBondContact O-CB 3.47Å; M692-W696 PolarHBondContact O-N 2.88Å
693I92.3Very high91Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-69.8-30.5-178.8-160.655.9000112.9F663 N671 I673 I685 D689 I691 W696 K697F663-I693 HydrophobicContact CE1-CG1 4.04Å; F663-I693 HydrophobicContact CE1-CG2 4.45Å; F663-I693 HydrophobicContact CZ-CG2 4.29Å; N671-I693 HydrophobicContact CB-CG2 3.93Å; N671-I693 VanDerWaalsContact O-CG1 3.27Å; N671-I693 WeakPolarHBondContact O-CG1 3.47Å; I673-I693 HydrophobicContact CD1-CD1 3.52Å; I673-I693 HydrophobicContact CD1-CG1 4.22Å; I673-I693 HydrophobicContact CG1-CD1 3.87Å; I673-I693 HydrophobicContact CG1-CG1 4.22Å; I685-I693 HydrophobicContact CG2-CD1 4.33Å; D689-I693 WeakPolarHBondContact O-CG2 3.46Å; D689-I693 PolarHBondContact O-N 3.15Å; I691-I693 PolarHBondContact O-N 3.26Å; I693-W696 HydrophobicContact CD1-CB 4.42Å; I693-K697 PolarHBondContact O-N 2.93Å
694T92Very high90.9Very high53 Ų5334.7 Ų34.733%0.32517%0.17SC..Hα-helixtrans-66.9-48.2173.7-58.30000110.8K690 I691 M692 W696 K697 E698K690-T694 VanDerWaalsContact O-CB 3.26Å; K690-T694 WeakPolarHBondContact O-CB 3.31Å; K690-T694 PolarHBondContact O-N 2.92Å; K690-T694 VanDerWaalsContact O-N 3.08Å; K690-T694 PolarHBondContact O-OG1 3.25Å; I691-T694 PolarHBondContact O-N 3.27Å; M692-T694 VanDerWaalsContact C-N 3.31Å; M692-T694 PolarHBondContact O-N 2.79Å; T694-W696 PolarHBondContact O-N 2.89Å; T694-K697 WeakPolarHBondContact O-CB 3.28Å; T694-K697 PolarHBondContact O-N 3.43Å; T694-E698 WeakPolarHBondContact O-CG 3.4Å; T694-E698 PolarHBondContact O-N 3.42Å; T694-E698 VanDerWaalsContact O-N 3.1Å
695Q90.6Very high90.6Very high10 Ų1038 Ų385%0.04718%0.182CC..Hα-helixtrans-62.2-44.5176.6-164.763.841.500110.9I42 K45 I691 M692 K697 E698 E699I42-Q695 HydrophobicContact CG2-CB 3.92Å; I42-Q695 HydrophobicContact CG2-CG 4.12Å; K45-Q695 HydrophobicContact CB-CG 4.27Å; I691-Q695 WeakPolarHBondContact O-CB 3.4Å; I691-Q695 PolarHBondContact O-N 2.88Å; M692-Q695 PolarHBondContact O-N 3.21Å; Q695-K697 VanDerWaalsContact C-N 3.3Å; Q695-K697 PolarHBondContact O-N 2.99Å; Q695-E698 PolarHBondContact O-N 3.42Å; Q695-E699 HydrophobicContact CG-CG 4.23Å; Q695-E699 PolarHBondContact NE2-OE1 3.38Å; Q695-E699 VanDerWaalsContact O-CG 3.3Å; Q695-E699 WeakPolarHBondContact O-CG 3.4Å; Q695-E699 PolarHBondContact O-N 3.09Å
696W91.8Very high90.2Very high1 Ų141.2 Ų41.20%0.00420%0.198CC..Hα-helixtrans-55.4-44.1174.3-84.8123000112.6I42 V605 V609 L625 L627 I673 M692 I693 T694 E698 I700I42-W696 HydrophobicContact CD1-CD2 4.47Å; I42-W696 HydrophobicContact CD1-CZ2 3.93Å; I42-W696 VanDerWaalsContact CD1-NE1 3.31Å; V605-W696 HydrophobicContact CG1-CE3 3.97Å; V605-W696 HydrophobicContact CG1-CH2 3.84Å; V605-W696 HydrophobicContact CG1-CZ3 3.46Å; V605-W696 VanDerWaalsContact CG1-CZ3 3.46Å; V605-W696 WeakPolarHBondContact O-CH2 3.48Å; V609-W696 HydrophobicContact CG1-CG 4.49Å; V609-W696 HydrophobicContact CG1-CZ2 4.4Å; L625-W696 HydrophobicContact CB-CH2 3.82Å; L625-W696 HydrophobicContact CB-CZ2 3.88Å; L625-W696 HydrophobicContact CB-CZ3 4.44Å; L625-W696 HydrophobicContact CD2-CD2 3.7Å; L625-W696 HydrophobicContact CD2-CE3 3.48Å; L625-W696 VanDerWaalsContact CD2-CE3 3.48Å; L625-W696 HydrophobicContact CD2-CH2 3.61Å; L625-W696 HydrophobicContact CD2-CZ2 3.82Å; L625-W696 HydrophobicContact CD2-CZ3 3.42Å; L625-W696 VanDerWaalsContact CD2-CZ3 3.42Å; L625-W696 HydrophobicContact CG-CE3 4.22Å; L625-W696 HydrophobicContact CG-CH2 3.49Å; L625-W696 VanDerWaalsContact CG-CH2 3.49Å; L625-W696 HydrophobicContact CG-CZ2 3.95Å; L625-W696 HydrophobicContact CG-CZ3 3.63Å; L627-W696 HydrophobicContact CB-CZ3 3.74Å; I673-W696 HydrophobicContact CD1-CB 3.89Å; M692-W696 WeakPolarHBondContact O-CB 3.47Å; M692-W696 PolarHBondContact O-N 2.88Å; I693-W696 HydrophobicContact CD1-CB 4.42Å; T694-W696 PolarHBondContact O-N 2.89Å; W696-E698 VanDerWaalsContact C-N 3.34Å; W696-E698 PolarHBondContact O-N 2.85Å; W696-I700 HydrophobicContact CB-CD1 4.47Å; W696-I700 HydrophobicContact CE3-CD1 4.24Å; W696-I700 HydrophobicContact CE3-CG1 4.41Å; W696-I700 VanDerWaalsContact O-CB 3.27Å; W696-I700 WeakPolarHBondContact O-CB 3.41Å; W696-I700 WeakPolarHBondContact O-CD1 3.39Å; W696-I700 WeakPolarHBondContact O-CG1 3.35Å; W696-I700 PolarHBondContact O-N 3.48Å
697K93.4Very high89.8Confident30 Ų3041.7 Ų41.713%0.1320%0.202CC..Hα-helixtrans-60.7-46.7179-171.4-17966.5166.20110.9P661 F663 I673 I693 T694 Q695 L701P661-K697 PolarHBondContact O-NZ 3.36Å; F663-K697 HydrophobicContact CD1-CD 4.13Å; F663-K697 HydrophobicContact CD2-CD 4.48Å; F663-K697 HydrophobicContact CE1-CB 4.1Å; F663-K697 HydrophobicContact CE1-CD 3.72Å; F663-K697 HydrophobicContact CE1-CG 4.36Å; F663-K697 HydrophobicContact CE2-CD 4.09Å; F663-K697 HydrophobicContact CZ-CB 3.97Å; F663-K697 HydrophobicContact CZ-CD 3.7Å; F663-K697 HydrophobicContact CZ-CG 4.41Å; I673-K697 HydrophobicContact CD1-CB 3.83Å; I673-K697 HydrophobicContact CG1-CB 3.96Å; I673-K697 HydrophobicContact CG1-CG 4.24Å; I693-K697 PolarHBondContact O-N 2.93Å; T694-K697 WeakPolarHBondContact O-CB 3.28Å; T694-K697 PolarHBondContact O-N 3.43Å; Q695-K697 VanDerWaalsContact C-N 3.3Å; Q695-K697 PolarHBondContact O-N 2.99Å; K697-L701 HydrophobicContact CD-CD1 4.49Å; K697-L701 HydrophobicContact CG-CD1 3.93Å; K697-L701 WeakPolarHBondContact O-CB 3.14Å; K697-L701 VanDerWaalsContact O-CG 3.25Å; K697-L701 WeakPolarHBondContact O-CG 3.29Å; K697-L701 PolarHBondContact O-N 3.12Å
698E92.1Very high89.5Confident65 Ų6543.3 Ų43.330%0.30421%0.212SC..Hα-helixtrans-63-49.3-179.9-68.6179.417700111.8K49 T694 Q695 W696 I700 L701 E702K49-E698 IonicContact NZ-OE1 3.18Å; K49-E698 PolarHBondContact NZ-OE1 3.5Å; K49-E698 IonicContact NZ-OE2 2.69Å; K49-E698 PolarHBondContact NZ-OE2 3.1Å; T694-E698 WeakPolarHBondContact O-CG 3.4Å; T694-E698 PolarHBondContact O-N 3.42Å; T694-E698 VanDerWaalsContact O-N 3.1Å; Q695-E698 PolarHBondContact O-N 3.42Å; W696-E698 VanDerWaalsContact C-N 3.34Å; W696-E698 PolarHBondContact O-N 2.85Å; E698-I700 PolarHBondContact O-N 2.68Å; E698-L701 PolarHBondContact O-N 2.71Å; E698-E702 WeakPolarHBondContact O-CB 3.34Å; E698-E702 PolarHBondContact O-N 3.37Å
699E90.2Very high89.5Confident30 Ų3042.1 Ų42.114%0.1420%0.203CC..Hα-helixtrans-65-38.9-179.5-62.5-62.9157.700112.2V605 L627 Q695 E702 G703V605-E699 HydrophobicContact CG1-CB 4.29Å; V605-E699 HydrophobicContact CG1-CG 4.24Å; L627-E699 HydrophobicContact CD2-CB 3.54Å; Q695-E699 HydrophobicContact CG-CG 4.23Å; Q695-E699 PolarHBondContact NE2-OE1 3.38Å; Q695-E699 VanDerWaalsContact O-CG 3.3Å; Q695-E699 WeakPolarHBondContact O-CG 3.4Å; Q695-E699 PolarHBondContact O-N 3.09Å; E699-E702 PolarHBondContact O-N 3.35Å; E699-G703 PolarHBondContact O-N 3.43Å
700I92.5Very high89.2Confident0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-68.1-41.8177.2-69.3166.6000110.9L625 L627 I632 I659 I673 I675 W696 E698 E702 Y704L625-I700 HydrophobicContact CD2-CD1 4.47Å; L627-I700 HydrophobicContact CD1-CG1 4.34Å; L627-I700 HydrophobicContact CD2-CG1 4.24Å; I632-I700 HydrophobicContact CD1-CG1 4.37Å; I632-I700 HydrophobicContact CD1-CG2 4.04Å; I659-I700 HydrophobicContact CD1-CG2 3.78Å; I673-I700 HydrophobicContact CD1-CD1 4.24Å; I675-I700 HydrophobicContact CD1-CG2 3.89Å; W696-I700 HydrophobicContact CB-CD1 4.47Å; W696-I700 HydrophobicContact CE3-CD1 4.24Å; W696-I700 HydrophobicContact CE3-CG1 4.41Å; W696-I700 VanDerWaalsContact O-CB 3.27Å; W696-I700 WeakPolarHBondContact O-CB 3.41Å; W696-I700 WeakPolarHBondContact O-CD1 3.39Å; W696-I700 WeakPolarHBondContact O-CG1 3.35Å; W696-I700 PolarHBondContact O-N 3.48Å; E698-I700 PolarHBondContact O-N 2.68Å; I700-E702 VanDerWaalsContact C-N 3.35Å; I700-Y704 WeakPolarHBondContact O-CB 3.5Å; I700-Y704 PolarHBondContact O-N 3.28Å
701L92.5Very high88.8Confident53 Ų5343.2 Ų43.228%0.27721%0.213SC..Hα-helixtrans-62.1-44175.4-79.2169000111.3I659 K697 E698 Y704 R705I659-L701 HydrophobicContact CB-CD2 3.77Å; I659-L701 HydrophobicContact CD1-CD2 4.32Å; I659-L701 HydrophobicContact CG2-CD2 3.65Å; I659-L701 HydrophobicContact CG2-CG 4.18Å; K697-L701 HydrophobicContact CD-CD1 4.49Å; K697-L701 HydrophobicContact CG-CD1 3.93Å; K697-L701 WeakPolarHBondContact O-CB 3.14Å; K697-L701 VanDerWaalsContact O-CG 3.25Å; K697-L701 WeakPolarHBondContact O-CG 3.29Å; K697-L701 PolarHBondContact O-N 3.12Å; E698-L701 PolarHBondContact O-N 2.71Å; L701-Y704 PolarHBondContact O-N 2.99Å; L701-R705 WeakPolarHBondContact O-CB 3.49Å; L701-R705 PolarHBondContact O-N 3.28Å
702E89.9Confident88.6Confident77 Ų7744.4 Ų44.436%0.3623%0.226SC..Hα-helixtrans-68.5-44.9-180-178.158.4-169.200111.9E698 E699 I700 Y704 R705 I706E698-E702 WeakPolarHBondContact O-CB 3.34Å; E698-E702 PolarHBondContact O-N 3.37Å; E699-E702 PolarHBondContact O-N 3.35Å; I700-E702 VanDerWaalsContact C-N 3.35Å; E702-Y704 VanDerWaalsContact C-N 3.3Å; E702-Y704 PolarHBondContact O-N 2.74Å; E702-R705 WeakPolarHBondContact O-CB 3.3Å; E702-R705 PolarHBondContact O-N 3.19Å; E702-R705 VanDerWaalsContact O-N 3.16Å; E702-R705 IonicContact OE1-CZ 3.46Å; E702-R705 IonicContact OE1-NE 2.93Å; E702-R705 PolarHBondContact OE1-NE 3.29Å; E702-R705 IonicContact OE1-NH2 3.82Å; E702-R705 PolarHBondContact OE1-NH2 3.24Å; E702-R705 IonicContact OE2-CZ 3.94Å; E702-R705 IonicContact OE2-NE 3.21Å; E702-R705 PolarHBondContact OE2-NE 3.08Å; E702-R705 IonicContact OE2-NH2 2.73Å; E702-I706 HydrophobicContact CG-CD1 3.97Å; E702-I706 WeakPolarHBondContact O-CG1 3.47Å; E702-I706 PolarHBondContact O-N 3.14Å; E702-I706 WeakPolarHBondContact OE1-CD1 3.18Å
703G87Confident88.3Confident3 Ų349.9 Ų49.93%0.03125%0.251CS..Hα-helixtrans-58.1-41.8173.800000112.4E699 S707E699-G703 PolarHBondContact O-N 3.43Å; G703-S707 WeakPolarHBondContact O-CB 3.34Å; G703-S707 PolarHBondContact O-N 3.13Å
704Y90.7Very high87.5Confident50 Ų5055.7 Ų55.720%0.19628%0.28CS..Hα-helixtrans-64.5-43.4174.7176.9-112.4000112.5I656 K657 I659 I700 L701 E702 S707 C708I656-Y704 HydrophobicContact CB-CD2 3.85Å; I656-Y704 HydrophobicContact CB-CE2 3.69Å; I656-Y704 HydrophobicContact CD1-CD2 4.42Å; I656-Y704 HydrophobicContact CG2-CD2 3.75Å; I656-Y704 HydrophobicContact CG2-CE2 3.56Å; I656-Y704 HydrophobicContact CG2-CG 4.43Å; K657-Y704 PolarHBondContact O-OH 3.49Å; I659-Y704 VanDerWaalsContact CD1-CB 3.42Å; I659-Y704 HydrophobicContact CD1-CD1 3.83Å; I659-Y704 HydrophobicContact CD1-CD2 4.33Å; I659-Y704 HydrophobicContact CD1-CG 3.6Å; I700-Y704 WeakPolarHBondContact O-CB 3.5Å; I700-Y704 PolarHBondContact O-N 3.28Å; L701-Y704 PolarHBondContact O-N 2.99Å; E702-Y704 VanDerWaalsContact C-N 3.3Å; E702-Y704 PolarHBondContact O-N 2.74Å; Y704-S707 PolarHBondContact O-N 2.82Å; Y704-C708 VanDerWaalsContact CE2-SG 3.54Å; Y704-C708 VanDerWaalsContact CZ-SG 3.52Å; Y704-C708 WeakPolarHBondContact O-CB 3.33Å; Y704-C708 PolarHBondContact O-N 3.03Å; Y704-C708 PolarHBondContact O-SG 2.85Å
705R90Very high86.7Confident104 Ų10457.5 Ų57.539%0.39229%0.288SS..Hα-helixtrans-59.8-51.6177-172.6-168.169.976.35111L701 E702 S707 C708 E709L701-R705 WeakPolarHBondContact O-CB 3.49Å; L701-R705 PolarHBondContact O-N 3.28Å; E702-R705 WeakPolarHBondContact O-CB 3.3Å; E702-R705 PolarHBondContact O-N 3.19Å; E702-R705 VanDerWaalsContact O-N 3.16Å; E702-R705 IonicContact OE1-CZ 3.46Å; E702-R705 IonicContact OE1-NE 2.93Å; E702-R705 PolarHBondContact OE1-NE 3.29Å; E702-R705 IonicContact OE1-NH2 3.82Å; E702-R705 PolarHBondContact OE1-NH2 3.24Å; E702-R705 IonicContact OE2-CZ 3.94Å; E702-R705 IonicContact OE2-NE 3.21Å; E702-R705 PolarHBondContact OE2-NE 3.08Å; E702-R705 IonicContact OE2-NH2 2.73Å; R705-S707 VanDerWaalsContact C-N 3.32Å; R705-S707 PolarHBondContact O-N 3.11Å; R705-C708 WeakPolarHBondContact O-CB 3.28Å; R705-C708 PolarHBondContact O-N 3.35Å; R705-E709 IonicContact CZ-OE1 3.9Å; R705-E709 IonicContact CZ-OE2 3.61Å; R705-E709 IonicContact NH1-OE1 2.85Å; R705-E709 PolarHBondContact NH1-OE1 2.95Å; R705-E709 IonicContact NH1-OE2 2.69Å; R705-E709 PolarHBondContact NH1-OE2 3.23Å; R705-E709 PolarHBondContact O-N 3.06Å
706I86.9Confident85.9Confident68 Ų6864.1 Ų64.135%0.34932%0.316SS..Hα-helixtrans-58.5-45.8178.5-67.5169.6000110.2E702 C708 E709 L710E702-I706 HydrophobicContact CG-CD1 3.97Å; E702-I706 WeakPolarHBondContact O-CG1 3.47Å; E702-I706 PolarHBondContact O-N 3.14Å; E702-I706 WeakPolarHBondContact OE1-CD1 3.18Å; I706-C708 VanDerWaalsContact C-N 3.33Å; I706-C708 PolarHBondContact O-N 2.77Å; I706-E709 PolarHBondContact O-N 3.04Å; I706-L710 HydrophobicContact CG2-CD1 4.45Å; I706-L710 WeakPolarHBondContact O-CB 3.48Å; I706-L710 PolarHBondContact O-N 3.38Å
707S85.5Confident84.8Confident12 Ų1270.8 Ų70.88%0.08435%0.345CS..Hα-helixtrans-63.7-37.5179.1-171.50000112.6M653 L654 G703 Y704 R705 M711M653-S707 WeakPolarHBondContact CB-OG 3.46Å; L654-S707 WeakPolarHBondContact CD2-OG 3.39Å; G703-S707 WeakPolarHBondContact O-CB 3.34Å; G703-S707 PolarHBondContact O-N 3.13Å; Y704-S707 PolarHBondContact O-N 2.82Å; R705-S707 VanDerWaalsContact C-N 3.32Å; R705-S707 PolarHBondContact O-N 3.11Å; S707-M711 WeakPolarHBondContact O-CG 3.48Å; S707-M711 PolarHBondContact O-N 3.3Å; S707-M711 VanDerWaalsContact O-N 3.08Å
708C85.7Confident83.2Confident52 Ų5271 Ų7135%0.35135%0.353SS..Hα-helixtrans-64.7-42.8174.6-72.20000111.9Y704 R705 I706 M711 A712Y704-C708 VanDerWaalsContact CE2-SG 3.54Å; Y704-C708 VanDerWaalsContact CZ-SG 3.52Å; Y704-C708 WeakPolarHBondContact O-CB 3.33Å; Y704-C708 PolarHBondContact O-N 3.03Å; Y704-C708 PolarHBondContact O-SG 2.85Å; R705-C708 WeakPolarHBondContact O-CB 3.28Å; R705-C708 PolarHBondContact O-N 3.35Å; I706-C708 VanDerWaalsContact C-N 3.33Å; I706-C708 PolarHBondContact O-N 2.77Å; C708-M711 PolarHBondContact O-N 3.43Å; C708-A712 PolarHBondContact O-N 3.43Å
709E86.5Confident81.9Confident94 Ų9475.1 Ų75.144%0.43937%0.372SS..Hα-helixtrans-65.2-42.8177.1-74.8177.1179.500112.1R705 I706 M711 A712 H713R705-E709 IonicContact CZ-OE1 3.9Å; R705-E709 IonicContact CZ-OE2 3.61Å; R705-E709 IonicContact NH1-OE1 2.85Å; R705-E709 PolarHBondContact NH1-OE1 2.95Å; R705-E709 IonicContact NH1-OE2 2.69Å; R705-E709 PolarHBondContact NH1-OE2 3.23Å; R705-E709 PolarHBondContact O-N 3.06Å; I706-E709 PolarHBondContact O-N 3.04Å; E709-M711 VanDerWaalsContact C-N 3.32Å; E709-M711 PolarHBondContact O-N 2.88Å; E709-A712 PolarHBondContact O-N 3.39Å; E709-H713 PolarHBondContact O-CD2 3.41Å; E709-H713 PolarHBondContact O-N 3.08Å
710L83.1Confident80.9Confident104 Ų10482.7 Ų82.755%0.54540%0.404SS..Hα-helixtrans-60.7-43.6177.1-134.6118.1000110.8I706 H713 M714I706-L710 HydrophobicContact CG2-CD1 4.45Å; I706-L710 WeakPolarHBondContact O-CB 3.48Å; I706-L710 PolarHBondContact O-N 3.38Å; L710-H713 PolarHBondContact O-N 3.26Å; L710-M714 HydrophobicContact CD2-SD 4.29Å; L710-M714 WeakPolarHBondContact O-CB 3.13Å; L710-M714 WeakPolarHBondContact O-CG 3.42Å; L710-M714 PolarHBondContact O-N 2.67Å
711M78.8Confident79.2Confident62 Ų6288.8 Ų88.831%0.30543%0.434SS..Hα-helixtrans-63.4-42.9173.8-80.6-124.7-64.900112.9L654 S707 C708 E709 H713 M714 N715L654-M711 HydrophobicContact CD1-SD 3.76Å; L654-M711 HydrophobicContact CD2-CE 3.7Å; L654-M711 HydrophobicContact CD2-CG 3.43Å; L654-M711 VanDerWaalsContact CD2-CG 3.43Å; L654-M711 HydrophobicContact CD2-SD 3.4Å; L654-M711 WeakPolarHBondContact CD2-SD 3.35Å; L654-M711 HydrophobicContact CG-SD 4.1Å; S707-M711 WeakPolarHBondContact O-CG 3.48Å; S707-M711 PolarHBondContact O-N 3.3Å; S707-M711 VanDerWaalsContact O-N 3.08Å; C708-M711 PolarHBondContact O-N 3.43Å; E709-M711 VanDerWaalsContact C-N 3.32Å; E709-M711 PolarHBondContact O-N 2.88Å; M711-H713 VanDerWaalsContact C-N 3.29Å; M711-H713 PolarHBondContact O-N 2.75Å; M711-M714 PolarHBondContact O-N 3.28Å; M711-N715 WeakPolarHBondContact O-CB 3.37Å; M711-N715 PolarHBondContact O-N 3.25Å; M711-N715 PolarHBondContact O-ND2 2.91Å
712A81.4Confident77.5Confident46 Ų4694.5 Ų94.538%0.3845%0.453SS..Hα-helixtrans-61.4-40.4176.800000111.2C708 E709 K716C708-A712 PolarHBondContact O-N 3.43Å; E709-A712 PolarHBondContact O-N 3.39Å; A712-K716 WeakPolarHBondContact O-CG 3.42Å; A712-K716 PolarHBondContact O-N 3.28Å
713H80.5Confident75.3Confident133 Ų13393.5 Ų93.562%0.61646%0.463SS*.Hα-helixtrans-66.7-44.2174-93.2-87.1000112.8E709 L710 M711 N715 K716 K717E709-H713 PolarHBondContact O-CD2 3.41Å; E709-H713 PolarHBondContact O-N 3.08Å; L710-H713 PolarHBondContact O-N 3.26Å; M711-H713 VanDerWaalsContact C-N 3.29Å; M711-H713 PolarHBondContact O-N 2.75Å; H713-N715 VanDerWaalsContact C-N 3.35Å; H713-K716 PolarHBondContact O-N 3.47Å; H713-K717 WeakPolarHBondContact O-CB 3.4Å; H713-K717 PolarHBondContact O-N 3.24Å
714M76Confident73.2Confident123 Ų12399.8 Ų99.861%0.60650%0.501SS*.Hα-helixtrans-62.5-41.9176.1-75.8-176.667.300111.5L710 M711 K717 A718L710-M714 HydrophobicContact CD2-SD 4.29Å; L710-M714 WeakPolarHBondContact O-CB 3.13Å; L710-M714 WeakPolarHBondContact O-CG 3.42Å; L710-M714 PolarHBondContact O-N 2.67Å; M711-M714 PolarHBondContact O-N 3.28Å; M714-K717 PolarHBondContact O-N 3.07Å; M714-A718 VanDerWaalsContact O-CB 3.26Å; M714-A718 WeakPolarHBondContact O-CB 3.39Å; M714-A718 PolarHBondContact O-N 3.11Å
715N75.2Confident70.6Confident90 Ų90104.8 Ų104.848%0.48153%0.53SS..Hα-helixtrans-63.2-45175.4-77.6-21.7000111.3M711 H713 K717 A718 H719M711-N715 WeakPolarHBondContact O-CB 3.37Å; M711-N715 PolarHBondContact O-N 3.25Å; M711-N715 PolarHBondContact O-ND2 2.91Å; H713-N715 VanDerWaalsContact C-N 3.35Å; N715-K717 VanDerWaalsContact C-N 3.32Å; N715-K717 PolarHBondContact O-N 2.95Å; N715-A718 PolarHBondContact O-N 3.29Å; N715-H719 WeakPolarHBondContact O-CB 3.19Å; N715-H719 PolarHBondContact O-N 2.94Å; N715-H719 PolarHBondContact O-ND1 3.18Å
716K74.7Confident68Low149 Ų149107.3 Ų107.365%0.64855%0.552SS**Hα-helixtrans-59.7-42.1173.6-75.4175.1-177.2176.40112A712 H713 K720A712-K716 WeakPolarHBondContact O-CG 3.42Å; A712-K716 PolarHBondContact O-N 3.28Å; H713-K716 PolarHBondContact O-N 3.47Å; K716-K720 WeakPolarHBondContact O-CB 3.45Å; K716-K720 PolarHBondContact O-N 3.47Å
717K68.4Low65.7Low141 Ų141109.7 Ų109.761%0.61357%0.572SS**Hα-helixtrans-69-38.7178.4-166.7176.4-178.3-179.20111.8H713 M714 N715 K720 M721H713-K717 WeakPolarHBondContact O-CB 3.4Å; H713-K717 PolarHBondContact O-N 3.24Å; M714-K717 PolarHBondContact O-N 3.07Å; N715-K717 VanDerWaalsContact C-N 3.32Å; N715-K717 PolarHBondContact O-N 2.95Å; K717-K720 CarbonylContact O-C 3.59Å; K717-K720 PolarHBondContact O-N 2.73Å; K717-M721 WeakPolarHBondContact O-CB 3.42Å; K717-M721 WeakPolarHBondContact O-CG 3.35Å; K717-M721 PolarHBondContact O-N 3.26Å
718A59.4Low63.3Low36 Ų36116.9 Ų116.930%0.29861%0.606SS.*Hα-helixtrans-67.1-43.4175.700000111.4M714 N715 K720 M721 Y722M714-A718 VanDerWaalsContact O-CB 3.26Å; M714-A718 WeakPolarHBondContact O-CB 3.39Å; M714-A718 PolarHBondContact O-N 3.11Å; N715-A718 PolarHBondContact O-N 3.29Å; A718-K720 PolarHBondContact O-N 3.1Å; A718-M721 PolarHBondContact O-N 3.11Å; A718-Y722 HydrophobicContact CB-CD2 4.29Å; A718-Y722 WeakPolarHBondContact O-CB 3.43Å; A718-Y722 PolarHBondContact O-N 3.26Å
719H65.7Low60.6Low150 Ų150118.9 Ų118.969%0.69462%0.62SS**Hα-helixtrans-59.3-38.8172.1-78.174.1000111.3N715 G723N715-H719 WeakPolarHBondContact O-CB 3.19Å; N715-H719 PolarHBondContact O-N 2.94Å; N715-H719 PolarHBondContact O-ND1 3.18Å; H719-G723 PolarHBondContact O-N 3.48Å
720K68.7Low57.9Low190 Ų190121.4 Ų121.483%0.82664%0.637SS**Hα-helixtrans-72.2-32.4176.7-167.1173.5-178.1177.40113.7K716 K717 A718K716-K720 WeakPolarHBondContact O-CB 3.45Å; K716-K720 PolarHBondContact O-N 3.47Å; K717-K720 CarbonylContact O-C 3.59Å; K717-K720 PolarHBondContact O-N 2.73Å; A718-K720 PolarHBondContact O-N 3.1Å
721M55.9Low55.5Low128 Ų128122.9 Ų122.963%0.63165%0.65SS**Hα-helixtrans-88.4-35.6-178.1-75.5-144-67.800113.9K717 A718K717-M721 WeakPolarHBondContact O-CB 3.42Å; K717-M721 WeakPolarHBondContact O-CG 3.35Å; K717-M721 PolarHBondContact O-N 3.26Å; A718-M721 PolarHBondContact O-N 3.11Å
722Y57Low53.1Low173 Ų173127.7 Ų127.768%0.67868%0.677SS**Hα-helixtrans-104.30.7-171.9-67.8-71.9000114.4A718 V724A718-Y722 HydrophobicContact CB-CD2 4.29Å; A718-Y722 WeakPolarHBondContact O-CB 3.43Å; A718-Y722 PolarHBondContact O-N 3.26Å; Y722-V724 VanDerWaalsContact C-N 3.29Å; Y722-V724 PolarHBondContact O-N 2.89Å
723G44.4Very low50.8Low55 Ų55132 Ų13257%0.56770%0.699SS**  trans30.661.7165.100000113.7H719 L725H719-G723 PolarHBondContact O-N 3.48Å; G723-L725 PolarHBondContact O-N 3.28Å
724V42.8Very low48.6Very low135 Ų135134.3 Ų134.382%0.81871%0.71SS**  trans-70.4110.3174.8178.50000105.9Y722 D726Y722-V724 VanDerWaalsContact C-N 3.29Å; Y722-V724 PolarHBondContact O-N 2.89Å; V724-D726 PolarHBondContact O-N 3.05Å
725L36.4Very low46.4Very low156 Ų156134 Ų13482%0.81772%0.717SS**  trans-44.9122.3173.2-71.6157.8000109.9G723 P727G723-L725 PolarHBondContact O-N 3.28Å; L725-P727 VanDerWaalsContact O-CD 3.29Å; L725-P727 WeakPolarHBondContact O-CD 3.47Å
726D36.2Very low44.4Very low157 Ų157135.3 Ų135.384%0.8473%0.73SS**  trans-51.4119.6158.6-94.1-34.7000108.7V724 M728V724-D726 PolarHBondContact O-N 3.05Å; D726-M728 PolarHBondContact O-N 3.49Å
727P37.2Very low42.2Very low118 Ų118134 Ų13477%0.76674%0.74SS**  trans-80.5100159.915.61.5000107.3L725L725-P727 VanDerWaalsContact O-CD 3.29Å; L725-P727 WeakPolarHBondContact O-CD 3.47Å
728M35.5Very low40.4Very low162 Ų162133.5 Ų133.580%0.79875%0.749SS**  trans54115147-60.5-116.679.100118.3D726 N730D726-M728 PolarHBondContact O-N 3.49Å; M728-N730 PolarHBondContact O-N 2.97Å
729S29.5Very low39Very low94 Ų94137.4 Ų137.466%0.65777%0.769SS**  trans-31.5115.8142.8540000114.1
730N28.5Very low37.3Very low147 Ų147137 Ų13779%0.78677%0.771SS**  170.7113.8128.3-94.2-14.7000109.5M728M728-N730 PolarHBondContact O-N 2.97Å
731T33.4Very low35.6Very low135 Ų135135 Ų13583%0.82877%0.768SS**  176.1122.7118.3310000109.3T733T731-T733 PolarHBondContact O-N 2.98Å
732D28.3Very low34.3Very low164 Ų164134.4 Ų134.488%0.87777%0.771SS**  trans-49.5125.7164.7-71.7-57.1000111.1
733T33.6Very low33.1Very low136 Ų136131.2 Ų131.283%0.83477%0.774SS**  trans-157.6138.614534.30000110.9T731T731-T733 PolarHBondContact O-N 2.98Å
734H33.9Very low32.3Very low181 Ų181134 Ų13484%0.83879%0.785SS**PPolyproline II helixtrans-50.1152.6-171.7-70.3-87.7000116.8
735P30.2Very low31.8Very low118 Ų118134.9 Ų134.977%0.76678%0.783SS**PPolyproline II helixtrans-84.2136.5171.533.7-29.6000111.1
736P33.4Very low31.3Very low116 Ų116135.2 Ų135.275%0.75379%0.785SS**PPolyproline II helixtrans-94.1131.1155.630.7-20.9000110.4
737S28.3Very low31.1Very low122 Ų122133.5 Ų133.585%0.85378%0.78SS**  trans-30.7124.8169.7-490000115.2
738T30.9Very low30.5Very low130 Ų130133.8 Ų133.880%0.79878%0.78SS**  trans-114.7118.4159.8-58.20000109.5I740T738-I740 PolarHBondContact O-N 3.35Å
739T29.1Very low30.3Very low119 Ų119132 Ų13273%0.7378%0.779SS**  trans-49.2118.5173.4-55.40000112I741T739-I741 HydrophobicContact CG2-CG1 4.23Å; T739-I741 PolarHBondContact O-N 3.46Å
740I30.6Very low30.1Very low142 Ų142133.5 Ų133.573%0.72878%0.784SS**  trans-77.5110163.9-64.9172.5000107T738 T742T738-I740 PolarHBondContact O-N 3.35Å; I740-T742 HydrophobicContact CG2-CG2 3.89Å
741I31.5Very low30.2Very low148 Ų148132.2 Ų132.276%0.75979%0.786SS**  trans-88.499.7158-62.2177.8000106T739 S743T739-I741 HydrophobicContact CG2-CG1 4.23Å; T739-I741 PolarHBondContact O-N 3.46Å; I741-S743 PolarHBondContact O-N 2.84Å
742T29.1Very low30Very low114 Ų114129.4 Ų129.470%0.69978%0.784SS**  trans-70.2113.7161.833.10000108.3I740I740-T742 HydrophobicContact CG2-CG2 3.89Å
743S32.4Very low30.1Very low106 Ų106126.9 Ų126.974%0.74178%0.779SS**  trans-108.2108.3157.449.10000108I741I741-S743 PolarHBondContact O-N 2.84Å
744S27.4Very low30Very low113 Ų113127.1 Ų127.179%0.7978%0.78SS**  trans-74.9115.9172.3-46.50000108.5
745I32.4Very low29.9Very low154 Ų154126.4 Ų126.479%0.7978%0.777SS**  trans-123.5115.5156.5-67.2-178.3000107.9T747I745-T747 PolarHBondContact O-N 2.95Å
746L26.7Very low30.1Very low163 Ų163126.3 Ų126.385%0.85378%0.776SS**  trans-58.5118.9167-77138.4000109.8
747T30.5Very low30Very low121 Ų121128.9 Ų128.974%0.74278%0.783SS**  trans-113.4103152.331.10000108.5I745 T749I745-T747 PolarHBondContact O-N 2.95Å; T747-T749 PolarHBondContact O-N 2.91Å
748V25.9Very low30.3Very low124 Ų124129.3 Ų129.375%0.75278%0.781SS**  trans-60.4112.9157.8172.80000107
749T29.8Very low30.3Very low126 Ų126127.9 Ų127.977%0.77378%0.776SS**  trans-130.2107.3158.739.10000109T747T747-T749 PolarHBondContact O-N 2.91Å
750T26.4Very low30.5Very low125 Ų125128.3 Ų128.377%0.76778%0.779SS**  trans-59.3122.4155.144.20000109.7
751S31.3Very low30.7Very low119 Ų119127.5 Ų127.583%0.83279%0.785SS**  173.9127.2126.941.60000110
752G28.9Very low31Very low76 Ų76131.9 Ų131.978%0.78479%0.792SS**PPolyproline II helixtrans-67.6140.7177.900000112.1
753S29.1Very low31.5Very low112 Ų112131.7 Ų131.778%0.78379%0.793SS**PPolyproline II helixtrans-76.6123.9169.665.70000110.4
754V31.4Very low31.6Very low140 Ų140132 Ų13285%0.84880%0.795SS**PPolyproline II helixtrans-89.2123.1159174.60000107.5
755Q32.5Very low31.9Very low166 Ų166134.4 Ų134.478%0.77679%0.794SS**PPolyproline II helixtrans-97143.5165.2-74.1-170.7-15.100109.6
756P33.5Very low32Very low116 Ų116135.1 Ų135.175%0.75380%0.796SS**  trans-112.6129.216333.9-21.5000111.8
757L31.6Very low32.2Very low171 Ų171131.4 Ų131.490%0.89578%0.784SS**  trans-132.2114.4157.4-85.3164.9000108.5
758T34.5Very low32.3Very low131 Ų131134.4 Ų134.480%0.80479%0.789SS**  trans-78151.8165.951.50000108.9
759S32.1Very low32.5Very low99 Ų99134 Ų13469%0.69279%0.791SS**  cis-172.7141.219.647.90000107.5
760T32.1Very low33.3Very low129 Ų129133.5 Ų133.579%0.79179%0.791SS**  149.2130.5104.647.60000104.3
761S34.6Very low34.1Very low124 Ų124133 Ų13387%0.86779%0.79SS**  179.6154.562.942.80000109.7
762R37.7Very low34.1Very low240 Ų240136 Ų13691%0.90679%0.791SS**  trans-64.1-173.6-175.4-90.7-178.1164.4-170.9-2.1116.6
763P41.5Very low34.3Very low111 Ų111137.3 Ų137.372%0.72179%0.787SS**  -145.4176-51.342.6-24.8000114.2
764S33.9Very low34.4Very low111 Ų111137.2 Ų137.278%0.77679%0.786SS**  trans139.5142151.860.80000110.6
765Q34.3Very low34.6Very low165 Ų165136.2 Ų136.277%0.77178%0.781SS**  cis-170.41482.9-112.31783.100106.4
766M32.7Very low34.7Very low169 Ų169137.1 Ų137.183%0.83379%0.785SS**  trans56.1145.8144-65-179.2137.900120.2
767S31.3Very low35.1Very low85 Ų85136.7 Ų136.759%0.59478%0.782SS**  cis175.4156-3.850.60000108.7
768H33.4Very low35Very low184 Ų184139.9 Ų139.985%0.85278%0.782SS**  trans91.2142.1149.7-65.1-56.2000123.7
769S30.6Very low35.1Very low114 Ų114138.9 Ų138.980%0.79778%0.778SS**  trans-92-179.2-172.3-45.30000112.7
770P46Very low34.9Very low117 Ų117145.6 Ų145.676%0.7679%0.788SS**  trans-93.1-177.3-158.944-39.7000113.6
771P42.5Very low35Very low115 Ų115147.9 Ų147.975%0.74780%0.795SS**  -165.1173.583.641-16.9000119.9
772Q31.7Very low34.7Very low182 Ų182146.4 Ų146.485%0.8578%0.784SS**  trans53.1127140.5-72.2-177.94.900127.7
773S33.3Very low34.5Very low103 Ų103144.5 Ų144.572%0.7279%0.785SS**  100123.5124.9760000125
774S31.8Very low34Very low109 Ų109148.4 Ų148.476%0.76279%0.794SS**  trans67.7143.3141.683.90000119.4
775T35.2Very low33.9Very low120 Ų120148.1 Ų148.174%0.73680%0.799SS**  cis-162.9143.518.742.50000111.4
776H34.8Very low33.8Very low184 Ų184145.8 Ų145.885%0.85280%0.8SS**  trans28.9164.3146.7-71.6-54.7000125.3
777P41.7Very low33.8Very low108 Ų108146.4 Ų146.470%0.70180%0.804SS**  cis-142166.5-36.639-20.6000117.3
778R30.2Very low34Very low238 Ų238148 Ų14890%0.89881%0.812SS**  trans72.3160.5155.6-84.8-174.8-174.9-153.32.7120.2
779P36.3Very low34Very low110 Ų110144.7 Ų144.771%0.71481%0.809SS**  cis-135.5167.8-13.733.2-12.3000116.6
780R27.4Very low34Very low240 Ų240150.2 Ų150.291%0.90681%0.814SS**  trans28.5119.9151.6-69.7-177.3176.7-173.3-1.4119.6
781L33.5Very low33.5Very low176 Ų176150.3 Ų150.392%0.92182%0.815SS**  trans-160.3140.1131.2-102.7157.3000110.7
782S28.4Very low33Very low93 Ų93153.2 Ų153.265%0.6582%0.823SS**  trans-78.7134.4-174.546.70000113.2
783H33.7Very low33.2Very low200 Ų200150.7 Ų150.793%0.92682%0.82SS**  trans-147.5104.1147.6-88.2-53.9000110
784Q30.6Very low33.1Very low193 Ų193153.7 Ų153.790%0.90283%0.828SS**  trans-78.5125.8158.8-81.5177.1-19.600107.9
785A33Very low33.4Very low106 Ų106157.7 Ų157.788%0.87684%0.835SS**  trans-90.5112.8163.100000108
786S32.5Very low33.2Very low116 Ų116164 Ų16481%0.81185%0.845SS**PPolyproline II helixtrans-82.4132.1172.837.20000110.5
787M31.9Very low33.1Very low182 Ų182158.8 Ų158.890%0.89784%0.841SS**PPolyproline II helixtrans-91.7148.6165.8-81.9-89.9167.400109.5
788P35Very low32.7Very low119 Ų119161.7 Ų161.777%0.77385%0.845SS**PPolyproline II helixtrans-85.8132.1-164.132.8-32.4000113
789S33.1Very low32.8Very low113 Ų113160.8 Ų160.879%0.7984%0.842SS**PPolyproline II helixtrans-89.3138.1168.445.30000111.4
790Y30.5Very low32.6Very low231 Ų231160.4 Ų160.491%0.90684%0.842SS**PPolyproline II helixtrans-56.1143.5176.7-76.3-94.3000113.6
791P36.3Very low32.7Very low118 Ų118153.7 Ų153.777%0.76683%0.832SS**PPolyproline II helixtrans-89.8126.6179.333.1-29.1000112
792L31.1Very low32.4Very low177 Ų177152.7 Ų152.793%0.92783%0.826SS**PPolyproline II helixtrans-90.3122.9156.8-85.1160000108.4
793T36Very low32.5Very low129 Ų129154.5 Ų154.579%0.79183%0.829SS**PPolyproline II helixtrans-76.8134.1174.443.30000110.2
794N31.8Very low32.1Very low166 Ų166150.2 Ų150.289%0.88882%0.822SS**  trans-141.8117.8161.7-125.6-5.2000109.4
795H38.1Very low32.1Very low193 Ų193147.9 Ų147.989%0.89482%0.82SS**  trans-84.4135.6171.8-100.8-72.8000110.3
796R31.5Very low31.9Very low251 Ų251150 Ų15095%0.94782%0.823SS**  trans-72.7141.5176.5-113.2175.7172.6-179.5-1.7112
797G33.3Very low31.5Very low75 Ų75147.4 Ų147.477%0.77381%0.813SS**  trans-162.286166.900000113.8
798Q32.8Very low31.1Very low170 Ų170144.6 Ų144.679%0.79481%0.812SS**  trans24131.7153.8-68.7-174.27.900124.5
799R31.5Very low30.8Very low218 Ų218149.2 Ų149.282%0.82382%0.82SS**  trans84.5116.2131.3-76.9-178.5179.6-157.31.2121.9
800S31.6Very low30.3Very low103 Ų103149.8 Ų149.872%0.7282%0.824SS**  trans80.6115.3130.264.60000122
801S29.9Very low30.1Very low99 Ų99142.2 Ų142.269%0.69282%0.816SS**  trans77.6117133.144.60000122.1
802L28.5Very low29.5Very low154 Ų154144.2 Ų144.281%0.80682%0.82SS**  trans84.9135.1134.9-76.5153.7000120.3
803D30.1Very low29.3Very low131 Ų131145 Ų14570%0.70182%0.819SS**  trans87.786.3157-55.3-18.5000120.2
804S25.6Very low28.9Very low111 Ų111142.3 Ų142.378%0.77681%0.81SS**  24.9100.8128.759.40000119.1
805V29.2Very low29Very low144 Ų144137.5 Ų137.587%0.87379%0.787SS**  trans-138.4111.1144.5177.10000107.1G807V805-G807 PolarHBondContact O-N 3.23Å
806T28.8Very low28.8Very low151 Ų151134.3 Ų134.393%0.92677%0.772SS**  trans-79.2112.2174.537.50000109.3
807G24.3Very low29Very low60 Ų60124.9 Ų124.962%0.61974%0.743SS**  trans-145.4132.9168.500000110.4V805V805-G807 PolarHBondContact O-N 3.23Å
808S25.1Very low28.7Very low124 Ų124127.1 Ų127.187%0.86774%0.737SS**  trans84.1104.3160.7-34.90000117.9
809K27.5Very low28.6Very low216 Ų216122.7 Ų122.794%0.93972%0.721SS**  trans-116.9112.7140.6-88.1-171.2175.7-177.90108.5
810S23.5Very low28.6Very low124 Ų124116.8 Ų116.887%0.86771%0.706SS**  trans-76.2149.9157.743.30000109.9
811G25.2Very low28.4Very low72 Ų72121 Ų12174%0.74271%0.714SS**  trans152.9109.3167.400000113.1
812D25.2Very low28.4Very low161 Ų161121 Ų12186%0.86171%0.707SS**  trans70.380.3170.3-56.5-19.8000117.4
813Q25.7Very low28.5Very low192 Ų192120 Ų12090%0.89771%0.707SS**  trans-79.8114.9157.9-79.1-176.9-16.500109.4
814A28.4Very low28.3Very low74 Ų74121.6 Ų121.661%0.61272%0.715SS**  trans-63.9126.9162.500000108.3E816A814-E816 PolarHBondContact O-N 2.97Å
815V32.5Very low28.3Very low65 Ų65120.7 Ų120.739%0.39472%0.715SS.*  trans-83.1104.9174.2-1740000107.6L239L239-V815 HydrophobicContact CD1-CB 3.87Å; L239-V815 HydrophobicContact CD1-CG1 3.31Å; L239-V815 HydrophobicContact CG-CG1 4.41Å
816E35.5Very low28.4Very low126 Ų126119.8 Ų119.859%0.58971%0.712SS**  trans-80.2126179.3-70.6-176.5136.300111.2K404 A814K404-E816 IonicContact NZ-OE1 3.67Å; K404-E816 PolarHBondContact NZ-OE1 2.93Å; A814-E816 PolarHBondContact O-N 2.97Å
817T35.2Very low28.4Very low53 Ų53120.8 Ų120.833%0.32571%0.711SS.*  trans-103.179.5161.341.90000109.1V819T817-V819 PolarHBondContact O-N 3.08Å
818D27.4Very low28.7Very low122 Ų122121.5 Ų121.565%0.65272%0.719SS**  trans-82.499.5163.5-97.3-39000108.6K404K404-D818 IonicContact NZ-OD2 3.84Å; K404-D818 PolarHBondContact NZ-OD2 3.22Å
819V29.9Very low29Very low76 Ų76119.4 Ų119.446%0.46172%0.716SS.*  trans-136.295.8156.8-1690000106.5T817T817-V819 PolarHBondContact O-N 3.08Å
820N31.6Very low29.1Very low95 Ų95116.5 Ų116.551%0.50872%0.717SS.*  trans-166.398.2151.6-95.7-10.7000107.4D822N820-D822 PolarHBondContact O-N 3.27Å
821Q27Very low29.5Very low191 Ų191113.6 Ų113.689%0.89371%0.706SS**  trans-81.5100.7161-76.1-174.1-3.700107.1V823Q821-V823 PolarHBondContact O-N 2.85Å
822D30.7Very low29.9Very low99 Ų99115.3 Ų115.353%0.52971%0.706SS.*  trans-65109.9163-77.8-38.2000107.8H285 N820H285-D822 IonicContact CE1-OD1 3.49Å; H285-D822 IonicContact NE2-OD1 2.87Å; N820-D822 PolarHBondContact O-N 3.27Å
823V29.4Very low30.1Very low134 Ų134114.5 Ų114.581%0.81270%0.702SS**PPolyproline II helixtrans-72.3125171.1-136.90000108.2Q821 A825Q821-V823 PolarHBondContact O-N 2.85Å; V823-A825 PolarHBondContact O-N 2.94Å
824N25.9Very low30.5Very low163 Ų163115.6 Ų115.687%0.87271%0.705SS**PPolyproline II helixtrans-65.7120.3178.6-77-39.9000111
825A26.7Very low31Very low93 Ų93119 Ų11977%0.76971%0.712SS**PPolyproline II helixtrans-89.8136.7153.200000108.9V823V823-A825 PolarHBondContact O-N 2.94Å
826P30.5Very low31.2Very low125 Ų125122.3 Ų122.381%0.81273%0.728SS**PPolyproline II helixtrans-79138.3-179.131.7-30.7000110.8G828P826-G828 PolarHBondContact O-N 3.42Å; P826-G828 VanDerWaalsContact O-N 3.13Å
827D29.6Very low31.2Very low172 Ų172124.6 Ų124.692%0.9274%0.736SS**  trans-57.8111170.4-92.2-36.7000110.4
828G30.7Very low31.6Very low75 Ų75127 Ų12777%0.77376%0.755SS**  trans-97.196.8166.300000110P826P826-G828 PolarHBondContact O-N 3.42Å; P826-G828 VanDerWaalsContact O-N 3.13Å
829G31.1Very low32.3Very low79 Ų79130.9 Ų130.981%0.81479%0.791SS**  trans-65.6137.6172.900000112.7
830V29.9Very low32.4Very low156 Ų156133.6 Ų133.695%0.94581%0.808SS**  trans-64.5133.3174177.50000110.8
831G32.1Very low32.5Very low63 Ų63135.6 Ų135.665%0.64982%0.824SS**  trans-179.796.4169.600000115.9
832S32.5Very low32.8Very low107 Ų107132.6 Ų132.675%0.74882%0.82SS**  trans70.1115.7151.6610000121.5
833D30.6Very low32.9Very low145 Ų145134.5 Ų134.578%0.77584%0.837SS**  51.5110.4129.9-58.2-29.4000119
834F34.5Very low33.1Very low215 Ų215134.6 Ų134.694%0.94384%0.839SS**  -156.6135.7122.3-106.9-75.8000112.6
835N37.1Very low33.6Very low145 Ų145132.7 Ų132.778%0.77584%0.836SS**  trans-55135.2178.7-102.9-38.7000115.2
836N36.8Very low34.1Very low135 Ų135135.5 Ų135.572%0.72284%0.841SS**  70.7134.4118.3-133.6-5.2000120.9
837K36.9Very low34.4Very low173 Ų173136.3 Ų136.375%0.75284%0.843SS**  trans92.696.3155.5-65.1-172.4178.5-1800120.3
838S42.7Very low34.8Very low105 Ų105133.3 Ų133.373%0.73484%0.837SS**  39.2112.5119.658.50000119.4
839S42.7Very low35.2Very low202 Ų202138.6 Ų138.6100%1.41384%0.843SS**  trans-163.30131.1-66.90000108.3

Retrieved 839 of 839 residues in 845.1 ms (Link to these results)

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