A0A087XU77_POEFO Loading...

Leucine rich repeat containing 34

AlphaFold DB , UniProt , Accession A0A087XU77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 406 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
1T57.4Low51.3Low155 Ų155112.7 Ų112.795%0.95161%0.612SS**  0-54.50-3.30000112.2L3 Y4 I5T1-L3 PolarHBondContact O-N 2.97Å; T1-Y4 PolarHBondContact O-N 3.36Å; T1-I5 WeakPolarHBondContact O-CG1 3.34Å; T1-I5 PolarHBondContact O-N 3.13Å; T1-I5 VanDerWaalsContact O-N 3.11Å
2Q45.4Very low51.3Low167 Ų167112.9 Ų112.978%0.7860%0.603SS**Hα-helixtrans-60.4-43.2175.3-95.6173.2-23.900114.5Y4 I5 V6Q2-Y4 VanDerWaalsContact C-N 3.27Å; Q2-Y4 PolarHBondContact O-N 2.94Å; Q2-I5 PolarHBondContact O-N 3.36Å; Q2-V6 WeakPolarHBondContact O-CG2 3.31Å; Q2-V6 PolarHBondContact O-N 2.99Å
3L48.7Very low50.8Low156 Ų156108.2 Ų108.282%0.81758%0.577SS**Hα-helixtrans-62.9-30.6175.7-90.1142.8000113.7T1 A7T1-L3 PolarHBondContact O-N 2.97Å; L3-A7 VanDerWaalsContact O-CB 3.3Å; L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.42Å
4Y49.3Very low50.1Low175 Ų175104.6 Ų104.669%0.68657%0.57SS**Hα-helixtrans-76.2-38.4178.6-154.2-99.9000111T1 Q2 A7 I8T1-Y4 PolarHBondContact O-N 3.36Å; Q2-Y4 VanDerWaalsContact C-N 3.27Å; Q2-Y4 PolarHBondContact O-N 2.94Å; Y4-A7 PolarHBondContact O-N 2.53Å; Y4-I8 HydrophobicContact CD1-CD1 3.6Å; Y4-I8 HydrophobicContact CD1-CG1 4.41Å; Y4-I8 HydrophobicContact CE1-CD1 3.67Å; Y4-I8 HydrophobicContact CE1-CG1 4.48Å; Y4-I8 VanDerWaalsContact O-CG1 3.27Å; Y4-I8 WeakPolarHBondContact O-CG1 3.36Å; Y4-I8 PolarHBondContact O-N 3.36Å
5I54.4Low49.9Very low101 Ų101104.1 Ų104.152%0.51857%0.572SS.*Hα-helixtrans-63.4-49.3172.3-66.4168.4000109.7T1 Q2 A7 I8 T9T1-I5 WeakPolarHBondContact O-CG1 3.34Å; T1-I5 PolarHBondContact O-N 3.13Å; T1-I5 VanDerWaalsContact O-N 3.11Å; Q2-I5 PolarHBondContact O-N 3.36Å; I5-A7 VanDerWaalsContact C-N 3.31Å; I5-A7 PolarHBondContact O-N 2.74Å; I5-I8 PolarHBondContact O-N 3.07Å; I5-T9 PolarHBondContact O-N 2.93Å; I5-T9 PolarHBondContact O-OG1 2.89Å
6V54.7Low49.8Very low80 Ų80100.9 Ų100.949%0.48556%0.556SS.*Hα-helixtrans-60.3-39.9178.1173.50000111.8Q2 T9 M10Q2-V6 WeakPolarHBondContact O-CG2 3.31Å; Q2-V6 PolarHBondContact O-N 2.99Å; V6-T9 PolarHBondContact O-N 3.38Å; V6-M10 HydrophobicContact CG1-CG 4.18Å; V6-M10 VanDerWaalsContact O-CB 3.23Å; V6-M10 WeakPolarHBondContact O-CB 3.49Å; V6-M10 WeakPolarHBondContact O-CG 3.23Å; V6-M10 PolarHBondContact O-N 2.87Å
7A48.2Very low49.4Very low57 Ų57104.1 Ų104.147%0.47157%0.568SS.*Hα-helixtrans-66.6-39.8176.500000112.8L3 Y4 I5 A11L3-A7 VanDerWaalsContact O-CB 3.3Å; L3-A7 WeakPolarHBondContact O-CB 3.45Å; L3-A7 PolarHBondContact O-N 3.42Å; Y4-A7 PolarHBondContact O-N 2.53Å; I5-A7 VanDerWaalsContact C-N 3.31Å; I5-A7 PolarHBondContact O-N 2.74Å; A7-A11 WeakPolarHBondContact O-CB 3.15Å; A7-A11 PolarHBondContact O-N 2.86Å
8I57.6Low49Very low98 Ų98102.8 Ų102.850%0.50357%0.574SS.*Hα-helixtrans-66.8-42.7174.3-69.5167.5000110.7Y4 I5 A11 F12Y4-I8 HydrophobicContact CD1-CD1 3.6Å; Y4-I8 HydrophobicContact CD1-CG1 4.41Å; Y4-I8 HydrophobicContact CE1-CD1 3.67Å; Y4-I8 HydrophobicContact CE1-CG1 4.48Å; Y4-I8 VanDerWaalsContact O-CG1 3.27Å; Y4-I8 WeakPolarHBondContact O-CG1 3.36Å; Y4-I8 PolarHBondContact O-N 3.36Å; I5-I8 PolarHBondContact O-N 3.07Å; I8-A11 PolarHBondContact O-N 3.36Å; I8-F12 VanDerWaalsContact O-CB 3.23Å; I8-F12 WeakPolarHBondContact O-CB 3.36Å; I8-F12 PolarHBondContact O-N 2.95Å
9T51.3Low49.2Very low71 Ų71100.2 Ų100.244%0.43657%0.567SS.*Hα-helixtrans-65-40.7177.3-42.30000111.2I5 V6 L13I5-T9 PolarHBondContact O-N 2.93Å; I5-T9 PolarHBondContact O-OG1 2.89Å; V6-T9 PolarHBondContact O-N 3.38Å; T9-L13 HydrophobicContact CG2-CD1 4.12Å; T9-L13 VanDerWaalsContact O-CB 3.25Å; T9-L13 WeakPolarHBondContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CD1 3.49Å; T9-L13 WeakPolarHBondContact O-CG 3.43Å; T9-L13 PolarHBondContact O-N 2.88Å
10M47.8Very low49.8Very low121 Ų121102 Ų10260%0.59657%0.57SS**Hα-helixtrans-68.7-38.4176.1-74.2-83168.300112.2V6 A14V6-M10 HydrophobicContact CG1-CG 4.18Å; V6-M10 VanDerWaalsContact O-CB 3.23Å; V6-M10 WeakPolarHBondContact O-CB 3.49Å; V6-M10 WeakPolarHBondContact O-CG 3.23Å; V6-M10 PolarHBondContact O-N 2.87Å; M10-A14 VanDerWaalsContact O-CB 3.24Å; M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.26Å
11A49.4Very low51.2Low59 Ų5999.9 Ų99.949%0.48856%0.561SS.*Hα-helixtrans-68.1-40.7175.100000111.8A7 I8 A14 T15A7-A11 WeakPolarHBondContact O-CB 3.15Å; A7-A11 PolarHBondContact O-N 2.86Å; I8-A11 PolarHBondContact O-N 3.36Å; A11-A14 PolarHBondContact O-N 3.41Å; A11-T15 PolarHBondContact O-N 2.96Å; A11-T15 PolarHBondContact O-OG1 2.87Å
12F52Low52.5Low115 Ų11592.6 Ų92.650%0.50452%0.516SS..Hα-helixtrans-64.6-43.7173.3-177.9-99.6000111.9I8 A14 T15 V16I8-F12 VanDerWaalsContact O-CB 3.23Å; I8-F12 WeakPolarHBondContact O-CB 3.36Å; I8-F12 PolarHBondContact O-N 2.95Å; F12-A14 VanDerWaalsContact C-N 3.3Å; F12-A14 PolarHBondContact O-N 3.03Å; F12-T15 WeakPolarHBondContact CA-OG1 3.5Å; F12-T15 PolarHBondContact O-N 3.11Å; F12-T15 PolarHBondContact O-OG1 3.28Å; F12-T15 VanDerWaalsContact O-OG1 3.06Å; F12-V16 HydrophobicContact CD1-CG2 4.38Å; F12-V16 HydrophobicContact CE1-CG2 4.07Å; F12-V16 HydrophobicContact CZ-CG2 4.21Å; F12-V16 VanDerWaalsContact O-CG2 3.28Å; F12-V16 WeakPolarHBondContact O-CG2 3.32Å; F12-V16 PolarHBondContact O-N 2.83Å
13L44.4Very low54.6Low52 Ų5284.8 Ų84.827%0.27248%0.48SS..Hα-helixtrans-61-39.8171.8-79.1161.9000111.2T9 V16 M17 I53T9-L13 HydrophobicContact CG2-CD1 4.12Å; T9-L13 VanDerWaalsContact O-CB 3.25Å; T9-L13 WeakPolarHBondContact O-CB 3.28Å; T9-L13 WeakPolarHBondContact O-CD1 3.49Å; T9-L13 WeakPolarHBondContact O-CG 3.43Å; T9-L13 PolarHBondContact O-N 2.88Å; L13-V16 PolarHBondContact O-N 2.91Å; L13-M17 VanDerWaalsContact O-CB 3.26Å; L13-M17 WeakPolarHBondContact O-CB 3.41Å; L13-M17 WeakPolarHBondContact O-CG 3.43Å; L13-M17 PolarHBondContact O-N 3.14Å; L13-I53 HydrophobicContact CD2-CG2 3.64Å
14A40.4Very low56.5Low57 Ų5780.7 Ų80.747%0.47146%0.459SS..Hα-helixtrans-67.5-3717800000112.9M10 A11 F12 A18M10-A14 VanDerWaalsContact O-CB 3.24Å; M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.26Å; A11-A14 PolarHBondContact O-N 3.41Å; F12-A14 VanDerWaalsContact C-N 3.3Å; F12-A14 PolarHBondContact O-N 3.03Å; A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.05Å
15T48.3Very low58.4Low98 Ų9873.5 Ų73.560%0.60143%0.434SS*.Hα-helixtrans-70.6-36.4172.227.20000112.7A11 F12 A18A11-T15 PolarHBondContact O-N 2.96Å; A11-T15 PolarHBondContact O-OG1 2.87Å; F12-T15 WeakPolarHBondContact CA-OG1 3.5Å; F12-T15 PolarHBondContact O-N 3.11Å; F12-T15 PolarHBondContact O-OG1 3.28Å; F12-T15 VanDerWaalsContact O-OG1 3.06Å; T15-A18 PolarHBondContact O-N 3.06Å
16V48.2Very low60.3Low52 Ų5268.7 Ų68.732%0.31541%0.41SS..Hα-helixtrans-67.6-36173.4171.70000111.6F12 L13 A18 I53F12-V16 HydrophobicContact CD1-CG2 4.38Å; F12-V16 HydrophobicContact CE1-CG2 4.07Å; F12-V16 HydrophobicContact CZ-CG2 4.21Å; F12-V16 VanDerWaalsContact O-CG2 3.28Å; F12-V16 WeakPolarHBondContact O-CG2 3.32Å; F12-V16 PolarHBondContact O-N 2.83Å; L13-V16 PolarHBondContact O-N 2.91Å; V16-A18 VanDerWaalsContact C-N 3.33Å; V16-I53 HydrophobicContact CG1-CG2 4.44Å
17M43Very low62.2Low155 Ų15568 Ų6876%0.76440%0.4SS*.Hα-helixtrans-78.1-13.1176.1-71.617868.900114L13L13-M17 VanDerWaalsContact O-CB 3.26Å; L13-M17 WeakPolarHBondContact O-CB 3.41Å; L13-M17 WeakPolarHBondContact O-CG 3.43Å; L13-M17 PolarHBondContact O-N 3.14Å
18A40.9Very low64.3Low81 Ų8167.8 Ų67.867%0.66940%0.398SS*.Hα-helixtrans-91.3-12.5179.600000113.8A14 T15 V16A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3.3Å; A14-A18 PolarHBondContact O-N 3.05Å; T15-A18 PolarHBondContact O-N 3.06Å; V16-A18 VanDerWaalsContact C-N 3.33Å
19A53.3Low66.1Low53 Ų5364.5 Ų64.544%0.43838%0.381SS..SBendtrans-71.6129.9169.200000108.8
20E61.6Low68.2Low136 Ų13661.2 Ų61.264%0.63636%0.361SS*.PPolyproline II helixtrans-50.7141.4167.7-75.1-177.3163.300109I22 Y87E20-I22 PolarHBondContact O-N 3.42Å; E20-Y87 PolarHBondContact O-OH 3.46Å
21P78.1Confident70.5Confident59 Ų5963.1 Ų63.138%0.38337%0.369SS..PPolyproline II helixtrans-51.4133.3173.1-26.434.9000109.9A23 D24 C25 T49P21-A23 PolarHBondContact O-N 3Å; P21-D24 HydrophobicContact CB-CB 4.47Å; P21-D24 WeakPolarHBondContact CD-OD2 3.48Å; P21-D24 VanDerWaalsContact CG-OD2 3.25Å; P21-D24 WeakPolarHBondContact CG-OD2 3.5Å; P21-D24 WeakPolarHBondContact O-CA 3.49Å; P21-D24 WeakPolarHBondContact O-CB 3.37Å; P21-D24 PolarHBondContact O-N 3.25Å; P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 VanDerWaalsContact O-N 3.15Å; P21-T49 HydrophobicContact CB-CG2 4.33Å
22I85.3Confident72.8Confident2 Ų266.2 Ų66.21%0.0138%0.377CS..Hα-helixtrans-53.6-29-178.5-149.9162000112.4E20 Y26 L45 T49 L84 Y87E20-I22 PolarHBondContact O-N 3.42Å; I22-Y26 WeakPolarHBondContact O-CB 3.35Å; I22-Y26 PolarHBondContact O-N 3.35Å; I22-L45 HydrophobicContact CG2-CB 3.72Å; I22-L45 HydrophobicContact CG2-CD1 4.37Å; I22-L45 HydrophobicContact CG2-CD2 3.64Å; I22-L45 HydrophobicContact CG2-CG 4.06Å; I22-T49 HydrophobicContact CB-CG2 4.19Å; I22-T49 HydrophobicContact CG2-CG2 3.65Å; I22-L84 HydrophobicContact CD1-CD2 3.27Å; I22-L84 HydrophobicContact CG1-CD2 3.99Å; I22-Y87 VanDerWaalsContact CA-OH 3.28Å; I22-Y87 WeakPolarHBondContact CA-OH 3.2Å; I22-Y87 HydrophobicContact CB-CD1 4.37Å; I22-Y87 HydrophobicContact CB-CE1 3.73Å; I22-Y87 HydrophobicContact CB-CE2 4.43Å; I22-Y87 HydrophobicContact CD1-CD1 3.55Å; I22-Y87 HydrophobicContact CD1-CD2 3.82Å; I22-Y87 HydrophobicContact CD1-CE1 3.77Å; I22-Y87 HydrophobicContact CD1-CE2 4.04Å; I22-Y87 HydrophobicContact CD1-CG 3.56Å; I22-Y87 HydrophobicContact CG1-CD1 4.04Å; I22-Y87 HydrophobicContact CG1-CD2 4Å; I22-Y87 HydrophobicContact CG1-CE1 3.72Å; I22-Y87 HydrophobicContact CG1-CE2 3.69Å; I22-Y87 HydrophobicContact CG1-CG 4.16Å; I22-Y87 PolarHBondContact N-OH 3.34Å
23A89.3Confident74.8Confident3 Ų363.9 Ų63.93%0.02537%0.368CS..Hα-helixtrans-67.6-36.5174.700000113P21 Y26 K27 L42 L45 E46P21-A23 PolarHBondContact O-N 3Å; A23-Y26 PolarHBondContact O-N 2.87Å; A23-K27 VanDerWaalsContact O-CG 3.3Å; A23-K27 WeakPolarHBondContact O-CG 3.43Å; A23-K27 PolarHBondContact O-N 3.16Å; A23-L42 HydrophobicContact CB-CD1 3.86Å; A23-L45 HydrophobicContact CB-CB 4.02Å; A23-E46 HydrophobicContact CB-CG 3.66Å
24D89.3Confident77.3Confident70 Ų7070.7 Ų70.737%0.37440%0.395SS..Hα-helixtrans-74.4-40.6177.7-64.3-27.9000110.5P21 Y26 K27 A28P21-D24 HydrophobicContact CB-CB 4.47Å; P21-D24 WeakPolarHBondContact CD-OD2 3.48Å; P21-D24 VanDerWaalsContact CG-OD2 3.25Å; P21-D24 WeakPolarHBondContact CG-OD2 3.5Å; P21-D24 WeakPolarHBondContact O-CA 3.49Å; P21-D24 WeakPolarHBondContact O-CB 3.37Å; P21-D24 PolarHBondContact O-N 3.25Å; D24-Y26 VanDerWaalsContact C-N 3.3Å; D24-Y26 PolarHBondContact O-N 3.1Å; D24-K27 PolarHBondContact O-N 2.91Å; D24-K27 IonicContact OD1-NZ 3.62Å; D24-A28 WeakPolarHBondContact O-CB 3.49Å; D24-A28 PolarHBondContact O-N 3.41Å
25C89.8Confident79.9Confident24 Ų2469.5 Ų69.516%0.16238%0.38CS..Hα-helixtrans-57.2-45.2169.2-174.80000111P21 A28 I29 C83P21-C25 PolarHBondContact O-N 3.44Å; P21-C25 VanDerWaalsContact O-N 3.15Å; C25-A28 PolarHBondContact O-N 2.82Å; C25-I29 WeakPolarHBondContact O-CG1 3.33Å; C25-I29 PolarHBondContact O-N 3.48Å; C25-C83 VanDerWaalsContact C-SG 3.59Å
26Y93.1Very high82.1Confident0 Ų069 Ų690%039%0.386CS..Hα-helixtrans-59.5-47.5176.1179.1-103.2000112.4I22 A23 D24 A28 I29 C30 I37 N38 V41 L42 L45 V79 L80 C83I22-Y26 WeakPolarHBondContact O-CB 3.35Å; I22-Y26 PolarHBondContact O-N 3.35Å; A23-Y26 PolarHBondContact O-N 2.87Å; D24-Y26 VanDerWaalsContact C-N 3.3Å; D24-Y26 PolarHBondContact O-N 3.1Å; Y26-A28 PolarHBondContact O-N 3.07Å; Y26-I29 PolarHBondContact O-N 3.34Å; Y26-C30 WeakPolarHBondContact O-CB 3.29Å; Y26-C30 PolarHBondContact O-N 2.84Å; Y26-C30 PolarHBondContact O-SG 2.95Å; Y26-C30 VanDerWaalsContact O-SG 3.39Å; Y26-I37 HydrophobicContact CE1-CG2 4.08Å; Y26-N38 WeakPolarHBondContact OH-CB 3.02Å; Y26-N38 PolarHBondContact OH-N 3.28Å; Y26-N38 VanDerWaalsContact OH-N 3.15Å; Y26-V41 HydrophobicContact CD1-CG1 4.42Å; Y26-V41 HydrophobicContact CD2-CG1 4.06Å; Y26-V41 HydrophobicContact CE1-CB 4.23Å; Y26-V41 HydrophobicContact CE1-CG1 3.95Å; Y26-V41 HydrophobicContact CE2-CB 4.38Å; Y26-V41 HydrophobicContact CE2-CG1 3.59Å; Y26-V41 HydrophobicContact CG-CG1 4.48Å; Y26-L42 HydrophobicContact CD1-CD1 4.46Å; Y26-L42 HydrophobicContact CE1-CB 4.36Å; Y26-L45 HydrophobicContact CD1-CD1 4.01Å; Y26-L45 HydrophobicContact CD2-CD1 4Å; Y26-L45 HydrophobicContact CG-CD1 3.58Å; Y26-V79 HydrophobicContact CD2-CB 4.27Å; Y26-V79 HydrophobicContact CD2-CG1 3.35Å; Y26-V79 HydrophobicContact CE2-CB 4.02Å; Y26-V79 HydrophobicContact CE2-CG1 3.5Å; Y26-V79 HydrophobicContact CG-CG1 4.26Å; Y26-L80 HydrophobicContact CD2-CD2 4.26Å; Y26-L80 HydrophobicContact CE2-CD2 4.41Å; Y26-L80 HydrophobicContact CE2-CG 4.42Å; Y26-C83 WeakPolarHBondContact CA-SG 3.4Å; Y26-C83 PolarHBondContact N-SG 2.83Å; Y26-C83 VanDerWaalsContact N-SG 3.44Å
27K94.4Very high84.4Confident66 Ų6670.1 Ų70.129%0.28739%0.389SS..Hα-helixtrans-58.8-46.3175.9-72.6167.3-170.8161.20111.7A23 D24 C30 E31 I37 L42 E46A23-K27 VanDerWaalsContact O-CG 3.3Å; A23-K27 WeakPolarHBondContact O-CG 3.43Å; A23-K27 PolarHBondContact O-N 3.16Å; D24-K27 PolarHBondContact O-N 2.91Å; D24-K27 IonicContact OD1-NZ 3.62Å; K27-C30 WeakPolarHBondContact O-CB 3.43Å; K27-C30 PolarHBondContact O-N 3.42Å; K27-E31 PolarHBondContact O-N 3Å; K27-I37 HydrophobicContact CG-CD1 4.02Å; K27-L42 HydrophobicContact CD-CD1 4.43Å; K27-L42 HydrophobicContact CG-CD1 4.34Å; K27-E46 IonicContact NZ-OE1 2.69Å; K27-E46 PolarHBondContact NZ-OE1 2.96Å
28A93.8Very high86.8Confident51 Ų5163 Ų6342%0.42136%0.355SS..Hα-helixtrans-63.9-42.6-178.700000112.3D24 C25 Y26 E31 N32D24-A28 WeakPolarHBondContact O-CB 3.49Å; D24-A28 PolarHBondContact O-N 3.41Å; C25-A28 PolarHBondContact O-N 2.82Å; Y26-A28 PolarHBondContact O-N 3.07Å; A28-E31 PolarHBondContact O-N 3.37Å; A28-N32 WeakPolarHBondContact O-CB 3.47Å; A28-N32 PolarHBondContact O-N 2.89Å
29I94.3Very high89.2Confident29 Ų2963.3 Ų63.315%0.14935%0.349CS..Hα-helixtrans-70.6-40177.4-61.9-174000110.8C25 Y26 E31 N32 E33 V79 K82 C83C25-I29 WeakPolarHBondContact O-CG1 3.33Å; C25-I29 PolarHBondContact O-N 3.48Å; Y26-I29 PolarHBondContact O-N 3.34Å; I29-E31 VanDerWaalsContact C-N 3.3Å; I29-E31 PolarHBondContact O-N 2.98Å; I29-N32 PolarHBondContact O-N 2.92Å; I29-E33 HydrophobicContact CG2-CG 3.8Å; I29-E33 WeakPolarHBondContact O-CB 3.42Å; I29-E33 VanDerWaalsContact O-CG 3.28Å; I29-E33 WeakPolarHBondContact O-CG 3.16Å; I29-E33 PolarHBondContact O-N 3.26Å; I29-V79 HydrophobicContact CB-CG1 3.87Å; I29-V79 HydrophobicContact CG2-CB 4.23Å; I29-V79 HydrophobicContact CG2-CG1 3.76Å; I29-V79 HydrophobicContact CG2-CG2 4.21Å; I29-K82 HydrophobicContact CD1-CB 3.52Å; I29-K82 HydrophobicContact CG2-CB 4.5Å; I29-K82 HydrophobicContact CG2-CD 4.12Å; I29-C83 VanDerWaalsContact CD1-SG 3.57Å
30C96Very high91Very high2 Ų261.5 Ų61.51%0.01433%0.332CS..Hα-helixtrans-54.5-46.5171.8-81.90000111.8Y26 K27 K34 I35 I37Y26-C30 WeakPolarHBondContact O-CB 3.29Å; Y26-C30 PolarHBondContact O-N 2.84Å; Y26-C30 PolarHBondContact O-SG 2.95Å; Y26-C30 VanDerWaalsContact O-SG 3.39Å; K27-C30 WeakPolarHBondContact O-CB 3.43Å; K27-C30 PolarHBondContact O-N 3.42Å; C30-K34 WeakPolarHBondContact O-CA 3.29Å; C30-K34 PolarHBondContact O-N 3.35Å; C30-I35 WeakPolarHBondContact CB-O 3.4Å; C30-I35 PolarHBondContact O-N 2.84Å; C30-I37 HydrophobicContact CB-CG1 3.85Å
31E96.4Very high92.6Very high162 Ų16255 Ų5576%0.75730%0.301SS*.Hα-helixtrans-62.7-47.6177.6-175.3173.1-16800111.9K27 A28 I29 K34K27-E31 PolarHBondContact O-N 3Å; A28-E31 PolarHBondContact O-N 3.37Å; I29-E31 VanDerWaalsContact C-N 3.3Å; I29-E31 PolarHBondContact O-N 2.98Å; E31-K34 PolarHBondContact O-N 2.76Å
32N96.1Very high93.2Very high123 Ų12353.5 Ų53.566%0.65829%0.29SS*.Hα-helixtrans-63.5-43.4-179.6-176.865.2000112.8A28 I29 K34A28-N32 WeakPolarHBondContact O-CB 3.47Å; A28-N32 PolarHBondContact O-N 2.89Å; I29-N32 PolarHBondContact O-N 2.92Å; N32-K34 VanDerWaalsContact C-N 3.27Å; N32-K34 PolarHBondContact O-N 3.49Å
33E95Very high93.4Very high67 Ų6759.1 Ų59.131%0.31332%0.316SS..Hα-helixtrans-82.3-4.2-179.8-58.9-62.7152.100112.8I29 I35 K82I29-E33 HydrophobicContact CG2-CG 3.8Å; I29-E33 WeakPolarHBondContact O-CB 3.42Å; I29-E33 VanDerWaalsContact O-CG 3.28Å; I29-E33 WeakPolarHBondContact O-CG 3.16Å; I29-E33 PolarHBondContact O-N 3.26Å; E33-I35 HydrophobicContact CB-CD1 3.65Å; E33-I35 HydrophobicContact CB-CG1 3.9Å; E33-I35 HydrophobicContact CG-CD1 4.45Å; E33-I35 PolarHBondContact O-N 3.09Å; E33-K82 VanDerWaalsContact CD-NZ 3.28Å; E33-K82 IonicContact OE1-NZ 2.64Å; E33-K82 PolarHBondContact OE1-NZ 2.81Å; E33-K82 IonicContact OE2-NZ 3.64Å
34K96.3Very high93.4Very high195 Ų19559.3 Ų59.385%0.84832%0.317SS*.THydrogen-bonded Turntrans56.336.8-174.4-55176.8-178.2174.10112.8C30 E31 N32C30-K34 WeakPolarHBondContact O-CA 3.29Å; C30-K34 PolarHBondContact O-N 3.35Å; E31-K34 PolarHBondContact O-N 2.76Å; N32-K34 VanDerWaalsContact C-N 3.27Å; N32-K34 PolarHBondContact O-N 3.49Å
35I95.4Very high93.4Very high32 Ų3256 Ų5616%0.16430%0.299CS..PPolyproline II helixtrans-98.5130.4177.1-65.9169.1000108C30 E33 I37 L78 V79C30-I35 WeakPolarHBondContact CB-O 3.4Å; C30-I35 PolarHBondContact O-N 2.84Å; E33-I35 HydrophobicContact CB-CD1 3.65Å; E33-I35 HydrophobicContact CB-CG1 3.9Å; E33-I35 HydrophobicContact CG-CD1 4.45Å; E33-I35 PolarHBondContact O-N 3.09Å; I35-I37 PolarHBondContact O-N 3.01Å; I35-L78 HydrophobicContact CD1-CD2 4.18Å; I35-V79 HydrophobicContact CB-CG2 4.22Å; I35-V79 HydrophobicContact CD1-CG2 3.6Å; I35-V79 HydrophobicContact CG1-CG2 4.5Å; I35-V79 HydrophobicContact CG2-CG2 4.19Å
36A95.5Very high93.3Very high86 Ų8658.6 Ų58.671%0.71131%0.309SS*.PPolyproline II helixtrans-63.5134.2176.900000110.3N38A36-N38 PolarHBondContact O-N 3.41Å
37I95.1Very high92.8Very high77 Ų7764.8 Ų64.840%0.39533%0.332SS..PPolyproline II helixtrans-60.8124.5176-69.5171.7000108.9Y26 K27 C30 I35 P39 L42Y26-I37 HydrophobicContact CE1-CG2 4.08Å; K27-I37 HydrophobicContact CG-CD1 4.02Å; C30-I37 HydrophobicContact CB-CG1 3.85Å; I35-I37 PolarHBondContact O-N 3.01Å; I37-P39 VanDerWaalsContact O-CD 3.3Å; I37-P39 WeakPolarHBondContact O-CD 3.28Å; I37-L42 HydrophobicContact CG2-CB 4.04Å; I37-L42 HydrophobicContact CG2-CD2 3.86Å
38N94.1Very high91.7Very high6 Ų662.1 Ų62.13%0.03232%0.322CS..  trans-79.6114.6169.5-173.5-39.6000108.9Y26 A36 F40 V41 L42 D76Y26-N38 WeakPolarHBondContact OH-CB 3.02Å; Y26-N38 PolarHBondContact OH-N 3.28Å; Y26-N38 VanDerWaalsContact OH-N 3.15Å; A36-N38 PolarHBondContact O-N 3.41Å; N38-F40 PolarHBondContact O-N 2.86Å; N38-F40 WeakPolarHBondContact OD1-CB 3.48Å; N38-F40 PolarHBondContact OD1-N 2.87Å; N38-V41 HydrophobicContact CB-CB 4.1Å; N38-V41 HydrophobicContact CB-CG2 3.84Å; N38-V41 PolarHBondContact O-N 3Å; N38-V41 VanDerWaalsContact O-N 3.16Å; N38-L42 PolarHBondContact O-N 2.86Å; N38-D76 WeakPolarHBondContact CB-OD1 3.38Å
39P92.1Very high90.3Very high86 Ų8662.7 Ų62.756%0.55832%0.32SS*.Hα-helixtrans-59.9-33.2-175.1-2434.7000113I37 L42 E43I37-P39 VanDerWaalsContact O-CD 3.3Å; I37-P39 WeakPolarHBondContact O-CD 3.28Å; P39-L42 PolarHBondContact O-N 3.32Å; P39-E43 VanDerWaalsContact O-CB 3.3Å; P39-E43 WeakPolarHBondContact O-CB 3.1Å; P39-E43 PolarHBondContact O-N 2.83Å
40F91.1Very high88.3Confident16 Ų1666.9 Ų66.97%0.0735%0.347CS..Hα-helixtrans-70.5-39.3-179.9169.8-113000112.2N38 N44 L60 F69 L72N38-F40 PolarHBondContact O-N 2.86Å; N38-F40 WeakPolarHBondContact OD1-CB 3.48Å; N38-F40 PolarHBondContact OD1-N 2.87Å; F40-N44 VanDerWaalsContact CD2-ND2 3.34Å; F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.41Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.5Å; F40-N44 PolarHBondContact O-N 2.77Å; F40-N44 PolarHBondContact O-ND2 3.47Å; F40-L60 HydrophobicContact CD1-CD2 4.25Å; F40-L60 HydrophobicContact CE1-CB 4.15Å; F40-L60 HydrophobicContact CE1-CD2 3.87Å; F40-L60 HydrophobicContact CZ-CD2 4.34Å; F40-F69 HydrophobicContact CB-CE2 4.15Å; F40-F69 AromaticContact CD1-CE2 3.51Å; F40-F69 HydrophobicContact CD1-CE2 3.51Å; F40-F69 AromaticContact CD1-CZ 3.78Å; F40-F69 HydrophobicContact CD1-CZ 3.78Å; F40-F69 HydrophobicContact CD2-CD2 4.43Å; F40-F69 AromaticContact CD2-CE2 3.7Å; F40-F69 HydrophobicContact CD2-CE2 3.7Å; F40-F69 AromaticContact CE1-CE2 3.72Å; F40-F69 HydrophobicContact CE1-CE2 3.72Å; F40-F69 AromaticContact CE1-CZ 3.77Å; F40-F69 HydrophobicContact CE1-CZ 3.77Å; F40-F69 AromaticContact CE2-CE2 3.89Å; F40-F69 HydrophobicContact CE2-CE2 3.89Å; F40-F69 HydrophobicContact CG-CD2 4.32Å; F40-F69 AromaticContact CG-CE2 3.5Å; F40-F69 HydrophobicContact CG-CE2 3.5Å; F40-F69 VanDerWaalsContact CG-CE2 3.5Å; F40-F69 HydrophobicContact CG-CZ 4.24Å; F40-F69 AromaticContact CZ-CE2 3.91Å; F40-F69 HydrophobicContact CZ-CE2 3.91Å; F40-F69 HydrophobicContact CZ-CZ 4.23Å; F40-L72 HydrophobicContact CD1-CD1 3.93Å; F40-L72 HydrophobicContact CE1-CD1 4.22Å
41V93.3Very high86.2Confident0 Ų071.5 Ų71.50%038%0.375CS..Hα-helixtrans-62.6-51.7173.5176.10000109Y26 N38 E43 N44 L45 L60 L72 L80Y26-V41 HydrophobicContact CD1-CG1 4.42Å; Y26-V41 HydrophobicContact CD2-CG1 4.06Å; Y26-V41 HydrophobicContact CE1-CB 4.23Å; Y26-V41 HydrophobicContact CE1-CG1 3.95Å; Y26-V41 HydrophobicContact CE2-CB 4.38Å; Y26-V41 HydrophobicContact CE2-CG1 3.59Å; Y26-V41 HydrophobicContact CG-CG1 4.48Å; N38-V41 HydrophobicContact CB-CB 4.1Å; N38-V41 HydrophobicContact CB-CG2 3.84Å; N38-V41 PolarHBondContact O-N 3Å; N38-V41 VanDerWaalsContact O-N 3.16Å; V41-E43 PolarHBondContact O-N 2.85Å; V41-N44 PolarHBondContact O-N 3.36Å; V41-N44 VanDerWaalsContact O-N 3.14Å; V41-L45 HydrophobicContact CG1-CD1 3.82Å; V41-L45 HydrophobicContact CG1-CG 4.15Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 2.94Å; V41-L60 HydrophobicContact CB-CD2 4.46Å; V41-L60 HydrophobicContact CG2-CD2 4.23Å; V41-L72 HydrophobicContact CG2-CD1 3.91Å; V41-L72 HydrophobicContact CG2-CD2 3.92Å; V41-L72 HydrophobicContact CG2-CG 3.89Å; V41-L80 HydrophobicContact CG1-CD1 4.37Å; V41-L80 HydrophobicContact CG1-CD2 3.76Å; V41-L80 HydrophobicContact CG1-CG 4.32Å
42L92.3Very high84.1Confident27 Ų2765.7 Ų65.714%0.14135%0.352CS..Hα-helixtrans-58.2-47.6-178178.758.5000112.4A23 Y26 K27 I37 N38 P39 N44 L45 E46A23-L42 HydrophobicContact CB-CD1 3.86Å; Y26-L42 HydrophobicContact CD1-CD1 4.46Å; Y26-L42 HydrophobicContact CE1-CB 4.36Å; K27-L42 HydrophobicContact CD-CD1 4.43Å; K27-L42 HydrophobicContact CG-CD1 4.34Å; I37-L42 HydrophobicContact CG2-CB 4.04Å; I37-L42 HydrophobicContact CG2-CD2 3.86Å; N38-L42 PolarHBondContact O-N 2.86Å; P39-L42 PolarHBondContact O-N 3.32Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 2.89Å; L42-L45 PolarHBondContact O-N 3.35Å; L42-E46 HydrophobicContact CD1-CG 3.95Å; L42-E46 WeakPolarHBondContact CD1-OE1 3.42Å; L42-E46 HydrophobicContact CG-CG 4.41Å; L42-E46 WeakPolarHBondContact O-CG 3.34Å; L42-E46 PolarHBondContact O-N 3.21Å
43E89.8Confident82.3Confident119 Ų11964.2 Ų64.256%0.55634%0.343SS*.Hα-helixtrans-56.9-42.8177.6-176.4-173.3165.400111.7P39 V41 R47P39-E43 VanDerWaalsContact O-CB 3.3Å; P39-E43 WeakPolarHBondContact O-CB 3.1Å; P39-E43 PolarHBondContact O-N 2.83Å; V41-E43 PolarHBondContact O-N 2.85Å; E43-R47 WeakPolarHBondContact O-CB 3.46Å; E43-R47 PolarHBondContact O-N 3.11Å
44N89.5Confident81.3Confident7 Ų770.3 Ų70.34%0.03736%0.364CS..Hα-helixtrans-68.5-42.2178.3-82.7-80.2000112.2F40 V41 L42 E46 R47 T48 L58 N59 L60F40-N44 VanDerWaalsContact CD2-ND2 3.34Å; F40-N44 WeakPolarHBondContact CD2-ND2 3.48Å; F40-N44 WeakPolarHBondContact CE2-ND2 3.41Å; F40-N44 WeakPolarHBondContact CZ-ND2 3.5Å; F40-N44 PolarHBondContact O-N 2.77Å; F40-N44 PolarHBondContact O-ND2 3.47Å; V41-N44 PolarHBondContact O-N 3.36Å; V41-N44 VanDerWaalsContact O-N 3.14Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 2.89Å; N44-E46 PolarHBondContact O-N 3.28Å; N44-R47 PolarHBondContact O-N 3.09Å; N44-R47 PolarHBondContact OD1-NH2 2.76Å; N44-T48 PolarHBondContact O-N 3.48Å; N44-T48 PolarHBondContact O-OG1 3.29Å; N44-L58 HydrophobicContact CB-CD1 4.11Å; N44-N59 PolarHBondContact OD1-O 3.18Å; N44-L60 HydrophobicContact CB-CD2 3.8Å
45L89.3Confident80.6Confident0 Ų066.4 Ų66.40%035%0.352CS..Hα-helixtrans-61.2-44177.9-67.4-179.1000111.7I22 A23 Y26 V41 L42 R47 T48 T49 L58 L80I22-L45 HydrophobicContact CG2-CB 3.72Å; I22-L45 HydrophobicContact CG2-CD1 4.37Å; I22-L45 HydrophobicContact CG2-CD2 3.64Å; I22-L45 HydrophobicContact CG2-CG 4.06Å; A23-L45 HydrophobicContact CB-CB 4.02Å; Y26-L45 HydrophobicContact CD1-CD1 4.01Å; Y26-L45 HydrophobicContact CD2-CD1 4Å; Y26-L45 HydrophobicContact CG-CD1 3.58Å; V41-L45 HydrophobicContact CG1-CD1 3.82Å; V41-L45 HydrophobicContact CG1-CG 4.15Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 2.94Å; L42-L45 PolarHBondContact O-N 3.35Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.02Å; L45-T48 WeakPolarHBondContact CA-OG1 3.44Å; L45-T48 PolarHBondContact O-N 3.15Å; L45-T48 PolarHBondContact O-OG1 3.47Å; L45-T48 VanDerWaalsContact O-OG1 3.07Å; L45-T49 WeakPolarHBondContact O-CG2 3.29Å; L45-T49 PolarHBondContact O-N 2.84Å; L45-T49 PolarHBondContact O-OG1 3.05Å; L45-L58 HydrophobicContact CD2-CD1 3.87Å; L45-L58 HydrophobicContact CD2-CD2 3.53Å; L45-L58 HydrophobicContact CD2-CG 4.37Å; L45-L80 HydrophobicContact CD1-CD2 4.41Å; L45-L80 HydrophobicContact CD2-CD2 4.48Å
46E87.1Confident80.2Confident80 Ų8066 Ų6637%0.37435%0.349SS..Hα-helixtrans-64.9-36.7176.1-71179.616800111.8A23 K27 L42 N44 T49 T50A23-E46 HydrophobicContact CB-CG 3.66Å; K27-E46 IonicContact NZ-OE1 2.69Å; K27-E46 PolarHBondContact NZ-OE1 2.96Å; L42-E46 HydrophobicContact CD1-CG 3.95Å; L42-E46 WeakPolarHBondContact CD1-OE1 3.42Å; L42-E46 HydrophobicContact CG-CG 4.41Å; L42-E46 WeakPolarHBondContact O-CG 3.34Å; L42-E46 PolarHBondContact O-N 3.21Å; N44-E46 PolarHBondContact O-N 3.28Å; E46-T49 WeakPolarHBondContact CA-OG1 3.5Å; E46-T49 PolarHBondContact O-OG1 2.79Å; E46-T50 WeakPolarHBondContact O-CG2 3.46Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.15Å
47R82.3Confident80Confident129 Ų12965.9 Ų65.949%0.48734%0.34SS..Hα-helixtrans-70.1-37.9175.8-168.7177.263.785.94112.6E43 N44 L45 T50 T51E43-R47 WeakPolarHBondContact O-CB 3.46Å; E43-R47 PolarHBondContact O-N 3.11Å; N44-R47 PolarHBondContact O-N 3.09Å; N44-R47 PolarHBondContact OD1-NH2 2.76Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.02Å; R47-T50 PolarHBondContact O-OG1 2.93Å; R47-T50 VanDerWaalsContact O-OG1 3.06Å; R47-T51 WeakPolarHBondContact O-CG2 3.47Å; R47-T51 PolarHBondContact O-OG1 3.03Å
48T72.2Confident79.9Confident11 Ų1162.2 Ų62.27%0.06732%0.321CS..Hα-helixtrans-72.4-36178.229.20000112.9N44 L45 T50 T51 S52 F56 L58N44-T48 PolarHBondContact O-N 3.48Å; N44-T48 PolarHBondContact O-OG1 3.29Å; L45-T48 WeakPolarHBondContact CA-OG1 3.44Å; L45-T48 PolarHBondContact O-N 3.15Å; L45-T48 PolarHBondContact O-OG1 3.47Å; L45-T48 VanDerWaalsContact O-OG1 3.07Å; T48-T50 VanDerWaalsContact C-N 3.32Å; T48-T50 PolarHBondContact O-N 3.42Å; T48-T51 PolarHBondContact O-N 3.45Å; T48-S52 PolarHBondContact O-N 2.88Å; T48-F56 HydrophobicContact CG2-CD2 3.55Å; T48-F56 HydrophobicContact CG2-CE2 3.76Å; T48-F56 HydrophobicContact CG2-CG 4.44Å; T48-L58 HydrophobicContact CG2-CD1 4.47Å
49T62.9Low79.9Confident63 Ų6364.6 Ų64.639%0.38733%0.334SS..Hα-helixtrans-70.1-27.7179.342.20000113.2P21 I22 L45 E46P21-T49 HydrophobicContact CB-CG2 4.33Å; I22-T49 HydrophobicContact CB-CG2 4.19Å; I22-T49 HydrophobicContact CG2-CG2 3.65Å; L45-T49 WeakPolarHBondContact O-CG2 3.29Å; L45-T49 PolarHBondContact O-N 2.84Å; L45-T49 PolarHBondContact O-OG1 3.05Å; E46-T49 WeakPolarHBondContact CA-OG1 3.5Å; E46-T49 PolarHBondContact O-OG1 2.79Å
50T53.2Low80.1Confident116 Ų11660.5 Ų60.571%0.71231%0.307SS*.Hα-helixtrans-83.6-14.3177.744.30000114.1E46 R47 T48E46-T50 WeakPolarHBondContact O-CG2 3.46Å; E46-T50 PolarHBondContact O-N 2.8Å; E46-T50 PolarHBondContact O-OG1 3.15Å; R47-T50 PolarHBondContact O-OG1 2.93Å; R47-T50 VanDerWaalsContact O-OG1 3.06Å; T48-T50 VanDerWaalsContact C-N 3.32Å; T48-T50 PolarHBondContact O-N 3.42Å
51T50.5Low80.3Confident99 Ų9960 Ų6061%0.60731%0.306SS*.Hα-helixtrans-120.1-16.3-166.654.50000115.8R47 T48R47-T51 WeakPolarHBondContact O-CG2 3.47Å; R47-T51 PolarHBondContact O-OG1 3.03Å; T48-T51 PolarHBondContact O-N 3.45Å
52S52.2Low80.3Confident40 Ų4060.1 Ų60.128%0.2831%0.307SS..  trans-132.1115.8-172.5-156.30000114.7T48 W54T48-S52 PolarHBondContact O-N 2.88Å; S52-W54 VanDerWaalsContact C-N 3.25Å; S52-W54 PolarHBondContact OG-N 3.17Å; S52-W54 PolarHBondContact OG-O 3.45Å
53I59.2Low80.3Confident92 Ų9263.2 Ų63.247%0.47232%0.324SS..SBendtrans-87.8-1165-31.5175.4000110.5L13 V16L13-I53 HydrophobicContact CD2-CG2 3.64Å; V16-I53 HydrophobicContact CG1-CG2 4.44Å
54W73.5Confident80.1Confident195 Ų19562.7 Ų62.774%0.73932%0.317SS*.SBendtrans-120.2169.2-172-55.2102.3000111.4S52 F56S52-W54 VanDerWaalsContact C-N 3.25Å; S52-W54 PolarHBondContact OG-N 3.17Å; S52-W54 PolarHBondContact OG-O 3.45Å; W54-F56 PolarHBondContact O-N 3.25Å
55N82.9Confident79.7Confident113 Ų11372.7 Ų72.760%0.60436%0.36SS*.  trans-46.7128.5171.2-69.4-2.6000111.2T89 T91N55-T89 CarbonylContact C-O 3.43Å; N55-T89 VanDerWaalsContact CA-O 3.24Å; N55-T89 WeakPolarHBondContact CA-O 3.17Å; N55-T91 HydrophobicContact CB-CG2 3.6Å
56F87.3Confident79.4Confident25 Ų2578.8 Ų78.811%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-135.1164-176.673.1-85.4000112.8T48 W54 L58 T89 L90 T91 G92T48-F56 HydrophobicContact CG2-CD2 3.55Å; T48-F56 HydrophobicContact CG2-CE2 3.76Å; T48-F56 HydrophobicContact CG2-CG 4.44Å; W54-F56 PolarHBondContact O-N 3.25Å; F56-L58 HydrophobicContact CE2-CB 4.19Å; F56-T89 WeakPolarHBondContact CD1-O 3.4Å; F56-T89 PolarHBondContact N-O 2.79Å; F56-L90 HydrophobicContact CD2-CD1 4.2Å; F56-L90 HydrophobicContact CE2-CD1 3.65Å; F56-L90 HydrophobicContact CZ-CB 4.45Å; F56-L90 HydrophobicContact CZ-CD1 3.9Å; F56-T91 PolarHBondContact O-N 3.31Å; F56-T91 PolarHBondContact O-OG1 2.95Å; F56-G92 PolarHBondContact O-N 3.29Å
57T90.6Very high78.9Confident83 Ų8384.8 Ų84.851%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-110.2124.5171.4-64.40000109.2G92T57-G92 CarbonylContact C-O 3.56Å; T57-G92 VanDerWaalsContact CA-O 3.26Å; T57-G92 WeakPolarHBondContact CA-O 3.4Å
58L93.1Very high78.6Confident0 Ų082 Ų820%043%0.425CS..EExtended strand (participates in β ladder)trans-84.6111.1172.5-178.457.7000109.1N44 L45 T48 F56 L60 L84 L90 G92 L93 D94N44-L58 HydrophobicContact CB-CD1 4.11Å; L45-L58 HydrophobicContact CD2-CD1 3.87Å; L45-L58 HydrophobicContact CD2-CD2 3.53Å; L45-L58 HydrophobicContact CD2-CG 4.37Å; T48-L58 HydrophobicContact CG2-CD1 4.47Å; F56-L58 HydrophobicContact CE2-CB 4.19Å; L58-L60 HydrophobicContact CD1-CD1 4.44Å; L58-L60 HydrophobicContact CD1-CD2 4.47Å; L58-L60 HydrophobicContact CD1-CG 4.27Å; L58-L60 HydrophobicContact CD2-CD1 3.72Å; L58-L60 HydrophobicContact CD2-CG 4.39Å; L58-L60 HydrophobicContact CG-CD1 3.81Å; L58-L60 HydrophobicContact CG-CG 3.93Å; L58-L84 HydrophobicContact CD2-CD1 4.47Å; L58-L84 HydrophobicContact CD2-CD2 4.48Å; L58-L90 HydrophobicContact CB-CD1 3.75Å; L58-G92 PolarHBondContact N-O 3.49Å; L58-L93 HydrophobicContact CB-CD1 4.12Å; L58-L93 HydrophobicContact CD2-CD1 4.07Å; L58-L93 HydrophobicContact CG-CD1 4.27Å; L58-D94 PolarHBondContact O-N 3.36Å
59N93.6Very high79.2Confident55 Ų5583.5 Ų83.529%0.29443%0.43SS..EExtended strand (participates in β ladder)trans-95.6109.4179.4-172-56.3000111.4N44 A61 D94N44-N59 PolarHBondContact OD1-O 3.18Å; N59-A61 PolarHBondContact OD1-N 3.22Å; N59-D94 PolarHBondContact ND2-OD2 3.38Å
60L95.5Very high80.4Confident0 Ų086.4 Ų86.40%044%0.44CS..  trans-124.430.3179.2-64.3170.9000111.2F40 V41 N44 L58 G62 L72 L80 L93 D94 L95 N98F40-L60 HydrophobicContact CD1-CD2 4.25Å; F40-L60 HydrophobicContact CE1-CB 4.15Å; F40-L60 HydrophobicContact CE1-CD2 3.87Å; F40-L60 HydrophobicContact CZ-CD2 4.34Å; V41-L60 HydrophobicContact CB-CD2 4.46Å; V41-L60 HydrophobicContact CG2-CD2 4.23Å; N44-L60 HydrophobicContact CB-CD2 3.8Å; L58-L60 HydrophobicContact CD1-CD1 4.44Å; L58-L60 HydrophobicContact CD1-CD2 4.47Å; L58-L60 HydrophobicContact CD1-CG 4.27Å; L58-L60 HydrophobicContact CD2-CD1 3.72Å; L58-L60 HydrophobicContact CD2-CG 4.39Å; L58-L60 HydrophobicContact CG-CD1 3.81Å; L58-L60 HydrophobicContact CG-CG 3.93Å; L60-G62 PolarHBondContact O-N 2.86Å; L60-L72 HydrophobicContact CB-CD2 4.04Å; L60-L72 HydrophobicContact CD1-CD2 4.05Å; L60-L80 HydrophobicContact CD1-CD1 3.74Å; L60-L80 HydrophobicContact CD1-CD2 4.38Å; L60-L93 HydrophobicContact CD1-CD1 4.47Å; L60-D94 CarbonylContact C-O 3.57Å; L60-D94 VanDerWaalsContact C-O 3.28Å; L60-D94 VanDerWaalsContact CA-O 3.27Å; L60-D94 WeakPolarHBondContact CA-O 3.27Å; L60-D94 WeakPolarHBondContact CB-O 3.26Å; L60-D94 PolarHBondContact N-O 3.24Å; L60-L95 HydrophobicContact CB-CD2 3.96Å; L60-L95 HydrophobicContact CD1-CD2 4.09Å; L60-N98 PolarHBondContact O-ND2 2.85Å
61A95.6Very high82.4Confident6 Ų686.7 Ų86.75%0.0543%0.428CS..  trans-62.1131.7179.300000112.1N59 N63 D94 G96N59-A61 PolarHBondContact OD1-N 3.22Å; A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.27Å; A61-D94 PolarHBondContact N-O 3.06Å; A61-G96 CarbonylContact C-O 3.6Å; A61-G96 VanDerWaalsContact CA-O 3.29Å; A61-G96 WeakPolarHBondContact CA-O 3.47Å
62G94.1Very high84.6Confident2 Ų282 Ų822%0.02140%0.399CS..SBendtrans-88.814.5-173.700000116L60 R64 F69 R71 G96 Y97L60-G62 PolarHBondContact O-N 2.86Å; G62-R64 VanDerWaalsContact C-N 3.35Å; G62-F69 VanDerWaalsContact CA-CE1 3.48Å; G62-R71 PolarHBondContact O-NE 3.16Å; G62-G96 PolarHBondContact N-O 3.37Å; G62-Y97 CarbonylContact C-O 3.58Å; G62-Y97 VanDerWaalsContact CA-O 3.24Å; G62-Y97 WeakPolarHBondContact CA-O 3.47Å
63N91.1Very high86.8Confident92 Ų9282.7 Ų82.749%0.49240%0.402SS..  trans-94.122.4-179.961-3.9000113.8A61 Y97A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.27Å; N63-Y97 HydrophobicContact CB-CD1 4.12Å; N63-Y97 HydrophobicContact CB-CD2 3.86Å; N63-Y97 HydrophobicContact CB-CE2 4.45Å; N63-Y97 HydrophobicContact CB-CG 3.67Å
64R86.4Confident88.6Confident109 Ų10979.4 Ų79.441%0.41139%0.385SS..  trans-77.1137.4-178.8-65.5-173.5178.7-110.1-0.2112.2G62 Q66 F69G62-R64 VanDerWaalsContact C-N 3.35Å; R64-Q66 PolarHBondContact O-N 2.91Å; R64-F69 HydrophobicContact CB-CD2 4.02Å; R64-F69 HydrophobicContact CB-CE2 4.11Å; R64-F69 HydrophobicContact CB-CG 4.29Å; R64-F69 HydrophobicContact CB-CZ 4.48Å; R64-F69 HydrophobicContact CG-CE2 4.25Å
65K80.9Confident89.8Confident216 Ų21673 Ų7394%0.93937%0.369SS*.  trans-81.514.9179.6-63.3-175.9179.7178.30114.2
66Q83.2Confident90.5Very high128 Ų12868.1 Ų68.160%0.59834%0.344SS*.  trans-80.9133.6-175.5-176.6174-1200111.4R64 G68 F69R64-Q66 PolarHBondContact O-N 2.91Å; Q66-G68 PolarHBondContact O-N 2.88Å; Q66-F69 HydrophobicContact CB-CB 4.41Å; Q66-F69 VanDerWaalsContact O-CB 3.24Å; Q66-F69 WeakPolarHBondContact O-CB 3.45Å; Q66-F69 PolarHBondContact O-N 3.43Å
67K76.8Confident91Very high206 Ų20667 Ų6790%0.89634%0.339SS*.THydrogen-bonded Turntrans-64.8130.4176.9-170.6177.9-179.2-179.10110.1F69K67-F69 VanDerWaalsContact C-N 3.32Å
68G76.3Confident91.3Very high71 Ų7164.2 Ų64.273%0.73232%0.321SS*.THydrogen-bonded Turntrans80.78.4-178.700000114.7Q66 Q70Q66-G68 PolarHBondContact O-N 2.88Å; G68-Q70 PolarHBondContact O-N 2.68Å
69F84.8Confident91.5Very high43 Ų4364.2 Ų64.219%0.18932%0.321CS..PPolyproline II helixtrans-61127.3173.8-179.3-95.3000111.2F40 G62 R64 Q66 K67 R71F40-F69 HydrophobicContact CB-CE2 4.15Å; F40-F69 AromaticContact CD1-CE2 3.51Å; F40-F69 HydrophobicContact CD1-CE2 3.51Å; F40-F69 AromaticContact CD1-CZ 3.78Å; F40-F69 HydrophobicContact CD1-CZ 3.78Å; F40-F69 HydrophobicContact CD2-CD2 4.43Å; F40-F69 AromaticContact CD2-CE2 3.7Å; F40-F69 HydrophobicContact CD2-CE2 3.7Å; F40-F69 AromaticContact CE1-CE2 3.72Å; F40-F69 HydrophobicContact CE1-CE2 3.72Å; F40-F69 AromaticContact CE1-CZ 3.77Å; F40-F69 HydrophobicContact CE1-CZ 3.77Å; F40-F69 AromaticContact CE2-CE2 3.89Å; F40-F69 HydrophobicContact CE2-CE2 3.89Å; F40-F69 HydrophobicContact CG-CD2 4.32Å; F40-F69 AromaticContact CG-CE2 3.5Å; F40-F69 HydrophobicContact CG-CE2 3.5Å; F40-F69 VanDerWaalsContact CG-CE2 3.5Å; F40-F69 HydrophobicContact CG-CZ 4.24Å; F40-F69 AromaticContact CZ-CE2 3.91Å; F40-F69 HydrophobicContact CZ-CE2 3.91Å; F40-F69 HydrophobicContact CZ-CZ 4.23Å; G62-F69 VanDerWaalsContact CA-CE1 3.48Å; R64-F69 HydrophobicContact CB-CD2 4.02Å; R64-F69 HydrophobicContact CB-CE2 4.11Å; R64-F69 HydrophobicContact CB-CG 4.29Å; R64-F69 HydrophobicContact CB-CZ 4.48Å; R64-F69 HydrophobicContact CG-CE2 4.25Å; Q66-F69 HydrophobicContact CB-CB 4.41Å; Q66-F69 VanDerWaalsContact O-CB 3.24Å; Q66-F69 WeakPolarHBondContact O-CB 3.45Å; Q66-F69 PolarHBondContact O-N 3.43Å; K67-F69 VanDerWaalsContact C-N 3.32Å; F69-R71 HydrophobicContact CD1-CG 4.34Å; F69-R71 HydrophobicContact CE1-CG 3.91Å
70Q87.7Confident91.5Very high124 Ų12461.8 Ų61.858%0.57931%0.308SS*.PPolyproline II helixtrans-103.2116.5177.1-67.6-179.5-8.300109.1G68G68-Q70 PolarHBondContact O-N 2.68Å
71R94.4Very high91.4Very high121 Ų12162 Ų6246%0.45731%0.309SS..PPolyproline II helixtrans-64.9145.5171.6-73.8-179.8179.8171.91110.2G62 F69 Y97 N99G62-R71 PolarHBondContact O-NE 3.16Å; F69-R71 HydrophobicContact CD1-CG 4.34Å; F69-R71 HydrophobicContact CE1-CG 3.91Å; R71-Y97 VanDerWaalsContact CD-O 3.31Å; R71-Y97 WeakPolarHBondContact CD-O 3.39Å; R71-Y97 PolarHBondContact NE-O 3.15Å; R71-N99 VanDerWaalsContact CD-OD1 3.29Å; R71-N99 WeakPolarHBondContact CD-OD1 3.35Å
72L97.1Very high91.2Very high0 Ų065.3 Ų65.30%032%0.323CS..PPolyproline II helixtrans-66.7145.3177.1-78.163.5000110.4F40 V41 L60 D76 I77 L80 L95 N98 N99F40-L72 HydrophobicContact CD1-CD1 3.93Å; F40-L72 HydrophobicContact CE1-CD1 4.22Å; V41-L72 HydrophobicContact CG2-CD1 3.91Å; V41-L72 HydrophobicContact CG2-CD2 3.92Å; V41-L72 HydrophobicContact CG2-CG 3.89Å; L60-L72 HydrophobicContact CB-CD2 4.04Å; L60-L72 HydrophobicContact CD1-CD2 4.05Å; L72-D76 WeakPolarHBondContact CA-OD2 3.22Å; L72-D76 HydrophobicContact CB-CB 4.06Å; L72-D76 HydrophobicContact CD2-CB 4.42Å; L72-D76 HydrophobicContact CG-CB 3.98Å; L72-I77 HydrophobicContact CD2-CD1 4.21Å; L72-L80 HydrophobicContact CD2-CD1 3.86Å; L72-L95 HydrophobicContact CD2-CD2 3.66Å; L72-N98 HydrophobicContact CB-CB 4.1Å; L72-N98 PolarHBondContact N-OD1 3Å; L72-N99 WeakPolarHBondContact O-CA 3.47Å; L72-N99 WeakPolarHBondContact O-CB 3.47Å; L72-N99 PolarHBondContact O-N 3.43Å
73T97.6Very high91Very high56 Ų5665.4 Ų65.434%0.34432%0.323SS..  trans-117.2174.1177.963.20000110.1S75 D76 I77T73-S75 PolarHBondContact O-N 2.97Å; T73-D76 PolarHBondContact N-OD2 3.22Å; T73-D76 WeakPolarHBondContact O-CB 3.24Å; T73-D76 PolarHBondContact O-N 2.82Å; T73-D76 PolarHBondContact OG1-OD2 3.01Å; T73-I77 WeakPolarHBondContact O-CG1 3.44Å; T73-I77 PolarHBondContact O-N 2.77Å
74D98.4Very high90.9Very high23 Ų2361.3 Ų61.312%0.12330%0.301CS..Hα-helixtrans-57.1-33.9177.4-58.5-41.2000112.8D76 I77 L78 S101 E103 G104D74-D76 PolarHBondContact O-N 3.32Å; D74-I77 PolarHBondContact O-N 3.2Å; D74-L78 PolarHBondContact O-N 3.34Å; D74-S101 VanDerWaalsContact CG-OG 3.28Å; D74-S101 PolarHBondContact OD1-N 2.93Å; D74-S101 PolarHBondContact OD1-OG 3.25Å; D74-S101 VanDerWaalsContact OD2-CB 3.32Å; D74-S101 WeakPolarHBondContact OD2-CB 3.49Å; D74-S101 PolarHBondContact OD2-OG 3.29Å; D74-E103 HydrophobicContact CB-CB 4.14Å; D74-E103 HydrophobicContact CB-CG 4.21Å; D74-G104 VanDerWaalsContact CG-N 3.35Å; D74-G104 VanDerWaalsContact OD1-CA 3.24Å; D74-G104 WeakPolarHBondContact OD1-CA 3.32Å; D74-G104 PolarHBondContact OD1-N 2.89Å
75S97.9Very high90.7Very high59 Ų5958.9 Ų58.941%0.41329%0.294SS..Hα-helixtrans-64.1-37.7174.5-56.60000112.6T73 I77 L78 V79T73-S75 PolarHBondContact O-N 2.97Å; S75-I77 VanDerWaalsContact C-N 3.31Å; S75-L78 WeakPolarHBondContact O-CB 3.35Å; S75-L78 PolarHBondContact O-N 3.47Å; S75-V79 WeakPolarHBondContact O-CG2 3.24Å; S75-V79 PolarHBondContact O-N 3.07Å
76D97.4Very high90.4Very high11 Ų1154.7 Ų54.76%0.05928%0.282CS..Hα-helixtrans-65.8-39.2174.5-60.8-73.4000110.7N38 L72 T73 D74 V79 L80N38-D76 WeakPolarHBondContact CB-OD1 3.38Å; L72-D76 WeakPolarHBondContact CA-OD2 3.22Å; L72-D76 HydrophobicContact CB-CB 4.06Å; L72-D76 HydrophobicContact CD2-CB 4.42Å; L72-D76 HydrophobicContact CG-CB 3.98Å; T73-D76 PolarHBondContact N-OD2 3.22Å; T73-D76 WeakPolarHBondContact O-CB 3.24Å; T73-D76 PolarHBondContact O-N 2.82Å; T73-D76 PolarHBondContact OG1-OD2 3.01Å; D74-D76 PolarHBondContact O-N 3.32Å; D76-V79 PolarHBondContact O-N 3.17Å; D76-L80 WeakPolarHBondContact O-CB 3.18Å; D76-L80 VanDerWaalsContact O-CG 3.28Å; D76-L80 WeakPolarHBondContact O-CG 3.42Å; D76-L80 PolarHBondContact O-N 3.04Å
77I97.9Very high90.2Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..Hα-helixtrans-69.6-35.3178.5-55.6-48.5000111.9L72 T73 D74 S75 L80 S81 L95 I100 G104 L108L72-I77 HydrophobicContact CD2-CD1 4.21Å; T73-I77 WeakPolarHBondContact O-CG1 3.44Å; T73-I77 PolarHBondContact O-N 2.77Å; D74-I77 PolarHBondContact O-N 3.2Å; S75-I77 VanDerWaalsContact C-N 3.31Å; I77-L80 HydrophobicContact CD1-CD1 4.26Å; I77-L80 PolarHBondContact O-N 3.44Å; I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.4Å; I77-S81 PolarHBondContact O-N 2.67Å; I77-S81 PolarHBondContact O-OG 3.46Å; I77-L95 HydrophobicContact CD1-CD1 3.85Å; I77-L95 HydrophobicContact CD1-CD2 3.79Å; I77-L95 HydrophobicContact CD1-CG 4.43Å; I77-I100 HydrophobicContact CD1-CD1 3.63Å; I77-I100 HydrophobicContact CD1-CG1 4.06Å; I77-I100 HydrophobicContact CG1-CD1 3.8Å; I77-I100 HydrophobicContact CG1-CG1 3.77Å; I77-I100 HydrophobicContact CG1-CG2 4.26Å; I77-G104 WeakPolarHBondContact CG2-O 3.49Å; I77-L108 HydrophobicContact CG2-CD1 4.12Å; I77-L108 HydrophobicContact CG2-CD2 3.92Å; I77-L108 HydrophobicContact CG2-CG 3.62Å
78L97.4Very high90.4Very high25 Ų2546.2 Ų46.213%0.13124%0.244CC..Hα-helixtrans-55.6-53.5170.5174.258000110.9I35 D74 S75 S81 K82 Y107I35-L78 HydrophobicContact CD1-CD2 4.18Å; D74-L78 PolarHBondContact O-N 3.34Å; S75-L78 WeakPolarHBondContact O-CB 3.35Å; S75-L78 PolarHBondContact O-N 3.47Å; L78-S81 PolarHBondContact O-OG 3.2Å; L78-K82 HydrophobicContact CD1-CD 4.31Å; L78-K82 WeakPolarHBondContact O-CG 3.48Å; L78-K82 PolarHBondContact O-N 2.81Å; L78-Y107 HydrophobicContact CB-CD2 3.74Å; L78-Y107 HydrophobicContact CB-CE2 3.57Å; L78-Y107 HydrophobicContact CB-CG 4.33Å; L78-Y107 HydrophobicContact CD1-CD1 3.88Å; L78-Y107 HydrophobicContact CD1-CD2 4.39Å; L78-Y107 HydrophobicContact CD1-CE1 3.63Å; L78-Y107 HydrophobicContact CD1-CE2 4.15Å; L78-Y107 HydrophobicContact CD1-CG 4.27Å; L78-Y107 HydrophobicContact CG-CE2 4.29Å
79V96.4Very high90.8Very high0 Ų044.4 Ų44.40%022%0.219CC..Hα-helixtrans-62.5-48.8-179.2-178.90000110Y26 I29 I35 S75 D76 S81 K82 C83Y26-V79 HydrophobicContact CD2-CB 4.27Å; Y26-V79 HydrophobicContact CD2-CG1 3.35Å; Y26-V79 HydrophobicContact CE2-CB 4.02Å; Y26-V79 HydrophobicContact CE2-CG1 3.5Å; Y26-V79 HydrophobicContact CG-CG1 4.26Å; I29-V79 HydrophobicContact CB-CG1 3.87Å; I29-V79 HydrophobicContact CG2-CB 4.23Å; I29-V79 HydrophobicContact CG2-CG1 3.76Å; I29-V79 HydrophobicContact CG2-CG2 4.21Å; I35-V79 HydrophobicContact CB-CG2 4.22Å; I35-V79 HydrophobicContact CD1-CG2 3.6Å; I35-V79 HydrophobicContact CG1-CG2 4.5Å; I35-V79 HydrophobicContact CG2-CG2 4.19Å; S75-V79 WeakPolarHBondContact O-CG2 3.24Å; S75-V79 PolarHBondContact O-N 3.07Å; D76-V79 PolarHBondContact O-N 3.17Å; V79-S81 PolarHBondContact O-N 2.81Å; V79-K82 PolarHBondContact O-N 3.24Å; V79-C83 PolarHBondContact O-N 2.79Å; V79-C83 PolarHBondContact O-SG 3.01Å
80L94.6Very high91.1Very high4 Ų442.7 Ų42.72%0.02121%0.212CC..Hα-helixtrans-59.5-48.9179.6-75.8169.6000112Y26 V41 L45 L60 L72 D76 I77 K82 C83 L84Y26-L80 HydrophobicContact CD2-CD2 4.26Å; Y26-L80 HydrophobicContact CE2-CD2 4.41Å; Y26-L80 HydrophobicContact CE2-CG 4.42Å; V41-L80 HydrophobicContact CG1-CD1 4.37Å; V41-L80 HydrophobicContact CG1-CD2 3.76Å; V41-L80 HydrophobicContact CG1-CG 4.32Å; L45-L80 HydrophobicContact CD1-CD2 4.41Å; L45-L80 HydrophobicContact CD2-CD2 4.48Å; L60-L80 HydrophobicContact CD1-CD1 3.74Å; L60-L80 HydrophobicContact CD1-CD2 4.38Å; L72-L80 HydrophobicContact CD2-CD1 3.86Å; D76-L80 WeakPolarHBondContact O-CB 3.18Å; D76-L80 VanDerWaalsContact O-CG 3.28Å; D76-L80 WeakPolarHBondContact O-CG 3.42Å; D76-L80 PolarHBondContact O-N 3.04Å; I77-L80 HydrophobicContact CD1-CD1 4.26Å; I77-L80 PolarHBondContact O-N 3.44Å; L80-K82 VanDerWaalsContact C-N 3.29Å; L80-K82 PolarHBondContact O-N 3.27Å; L80-C83 PolarHBondContact O-N 2.56Å; L80-C83 VanDerWaalsContact O-N 3.1Å; L80-L84 HydrophobicContact CB-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.42Å
81S93.6Very high91.3Very high5 Ų538 Ų384%0.03519%0.191CC..Hα-helixtrans-56.8-43-179.964.70000112I77 L78 V79 L84 Q85 Y107I77-S81 VanDerWaalsContact O-CB 3.23Å; I77-S81 WeakPolarHBondContact O-CB 3.4Å; I77-S81 PolarHBondContact O-N 2.67Å; I77-S81 PolarHBondContact O-OG 3.46Å; L78-S81 PolarHBondContact O-OG 3.2Å; V79-S81 PolarHBondContact O-N 2.81Å; S81-L84 PolarHBondContact O-N 3.34Å; S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.49Å; S81-Q85 PolarHBondContact O-N 2.94Å; S81-Y107 WeakPolarHBondContact CB-O 3.36Å
82K91.7Very high91.4Very high76 Ų7632.2 Ų32.233%0.3317%0.17SC..Hα-helixtrans-65.4-41176.1-68.8-178.8176.9179.30112.4I29 E33 L78 V79 L80I29-K82 HydrophobicContact CD1-CB 3.52Å; I29-K82 HydrophobicContact CG2-CB 4.5Å; I29-K82 HydrophobicContact CG2-CD 4.12Å; E33-K82 VanDerWaalsContact CD-NZ 3.28Å; E33-K82 IonicContact OE1-NZ 2.64Å; E33-K82 PolarHBondContact OE1-NZ 2.81Å; E33-K82 IonicContact OE2-NZ 3.64Å; L78-K82 HydrophobicContact CD1-CD 4.31Å; L78-K82 WeakPolarHBondContact O-CG 3.48Å; L78-K82 PolarHBondContact O-N 2.81Å; V79-K82 PolarHBondContact O-N 3.24Å; L80-K82 VanDerWaalsContact C-N 3.29Å; L80-K82 PolarHBondContact O-N 3.27Å
83C88.9Confident91.3Very high3 Ų332.4 Ų32.42%0.0217%0.171CC..Hα-helixtrans-64.2-47.7175.9-65.40000111.4C25 Y26 I29 V79 L80 Q85 Y87C25-C83 VanDerWaalsContact C-SG 3.59Å; Y26-C83 WeakPolarHBondContact CA-SG 3.4Å; Y26-C83 PolarHBondContact N-SG 2.83Å; Y26-C83 VanDerWaalsContact N-SG 3.44Å; I29-C83 VanDerWaalsContact CD1-SG 3.57Å; V79-C83 PolarHBondContact O-N 2.79Å; V79-C83 PolarHBondContact O-SG 3.01Å; L80-C83 PolarHBondContact O-N 2.56Å; L80-C83 VanDerWaalsContact O-N 3.1Å; C83-Q85 PolarHBondContact O-N 3.25Å; C83-Y87 WeakPolarHBondContact O-CD2 3.29Å; C83-Y87 WeakPolarHBondContact O-CE2 3.28Å
84L88.7Confident91.4Very high6 Ų631.2 Ų31.23%0.03116%0.162CC..Hα-helixtrans-77.9-16.9-166.1-63.5178.2000114.2I22 L58 L80 S81 N86 Y87 L90 L93 L111I22-L84 HydrophobicContact CD1-CD2 3.27Å; I22-L84 HydrophobicContact CG1-CD2 3.99Å; L58-L84 HydrophobicContact CD2-CD1 4.47Å; L58-L84 HydrophobicContact CD2-CD2 4.48Å; L80-L84 HydrophobicContact CB-CD1 4.29Å; L80-L84 WeakPolarHBondContact O-CB 3.24Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 3.42Å; S81-L84 PolarHBondContact O-N 3.34Å; L84-N86 PolarHBondContact O-N 3.38Å; L84-Y87 PolarHBondContact O-N 2.94Å; L84-L90 HydrophobicContact CB-CD2 4.12Å; L84-L90 HydrophobicContact CD1-CD2 3.75Å; L84-L90 HydrophobicContact CD2-CD2 3.96Å; L84-L90 HydrophobicContact CG-CD2 4.12Å; L84-L93 HydrophobicContact CD1-CD1 4.34Å; L84-L93 HydrophobicContact CD1-CD2 4.08Å; L84-L111 HydrophobicContact CB-CD1 4.06Å; L84-L111 HydrophobicContact CB-CD2 4.26Å; L84-L111 HydrophobicContact CD1-CD2 4.44Å
85Q83.6Confident91.3Very high58 Ų5830.1 Ų30.127%0.27116%0.157SC..THydrogen-bonded Turntrans-51.8-30.6-175.7-90.41708.500115S81 C83 L111 A114S81-Q85 VanDerWaalsContact O-CG 3.3Å; S81-Q85 WeakPolarHBondContact O-CG 3.49Å; S81-Q85 PolarHBondContact O-N 2.94Å; C83-Q85 PolarHBondContact O-N 3.25Å; Q85-L111 HydrophobicContact CB-CD1 4.42Å; Q85-L111 HydrophobicContact CG-CD1 3.88Å; Q85-A114 HydrophobicContact CG-CB 4.2Å
86N73.1Confident91.4Very high129 Ų12927.4 Ų27.469%0.6914%0.137SC*.THydrogen-bonded Turntrans-108.27-176.3-61.9-49.1000113.8L84 Q88L84-N86 PolarHBondContact O-N 3.38Å; N86-Q88 PolarHBondContact O-N 2.93Å
87Y80.7Confident91.4Very high42 Ų4231 Ų3117%0.16515%0.151CC..  trans-94.389.2-176.2-75.4-94.8000111.7E20 I22 C83 L84 T89 L90E20-Y87 PolarHBondContact O-OH 3.46Å; I22-Y87 VanDerWaalsContact CA-OH 3.28Å; I22-Y87 WeakPolarHBondContact CA-OH 3.2Å; I22-Y87 HydrophobicContact CB-CD1 4.37Å; I22-Y87 HydrophobicContact CB-CE1 3.73Å; I22-Y87 HydrophobicContact CB-CE2 4.43Å; I22-Y87 HydrophobicContact CD1-CD1 3.55Å; I22-Y87 HydrophobicContact CD1-CD2 3.82Å; I22-Y87 HydrophobicContact CD1-CE1 3.77Å; I22-Y87 HydrophobicContact CD1-CE2 4.04Å; I22-Y87 HydrophobicContact CD1-CG 3.56Å; I22-Y87 HydrophobicContact CG1-CD1 4.04Å; I22-Y87 HydrophobicContact CG1-CD2 4Å; I22-Y87 HydrophobicContact CG1-CE1 3.72Å; I22-Y87 HydrophobicContact CG1-CE2 3.69Å; I22-Y87 HydrophobicContact CG1-CG 4.16Å; I22-Y87 PolarHBondContact N-OH 3.34Å; C83-Y87 WeakPolarHBondContact O-CD2 3.29Å; C83-Y87 WeakPolarHBondContact O-CE2 3.28Å; L84-Y87 PolarHBondContact O-N 2.94Å; Y87-T89 PolarHBondContact O-N 3.47Å; Y87-T89 VanDerWaalsContact O-N 3.14Å; Y87-L90 WeakPolarHBondContact O-CB 3.17Å; Y87-L90 PolarHBondContact O-N 3.1Å; Y87-L90 VanDerWaalsContact O-N 3.07Å
88Q80.4Confident91.4Very high113 Ų11331 Ų3153%0.52815%0.151SC..THydrogen-bonded Turntrans-65.4-15.5-178.1-63.2-179.8-0.600114.3N86 M118N86-Q88 PolarHBondContact O-N 2.93Å; Q88-M118 HydrophobicContact CB-CG 4.02Å; Q88-M118 HydrophobicContact CG-CG 4.44Å; Q88-M118 VanDerWaalsContact O-CB 3.24Å; Q88-M118 WeakPolarHBondContact O-CB 3.47Å; Q88-M118 VanDerWaalsContact O-CG 3.27Å; Q88-M118 WeakPolarHBondContact O-CG 3.31Å
89T85.3Confident91.4Very high34 Ų3433.1 Ų33.121%0.20916%0.162CC..THydrogen-bonded Turntrans-87-917653.50000113.1N55 F56 Y87 T91N55-T89 CarbonylContact C-O 3.43Å; N55-T89 VanDerWaalsContact CA-O 3.24Å; N55-T89 WeakPolarHBondContact CA-O 3.17Å; F56-T89 WeakPolarHBondContact CD1-O 3.4Å; F56-T89 PolarHBondContact N-O 2.79Å; Y87-T89 PolarHBondContact O-N 3.47Å; Y87-T89 VanDerWaalsContact O-N 3.14Å; T89-T91 PolarHBondContact O-N 3.34Å
90L89.5Confident91.5Very high7 Ų733.1 Ų33.14%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-79.1110.6174.6-17675.5000109.9F56 L58 L84 Y87 G92 M118 L119F56-L90 HydrophobicContact CD2-CD1 4.2Å; F56-L90 HydrophobicContact CE2-CD1 3.65Å; F56-L90 HydrophobicContact CZ-CB 4.45Å; F56-L90 HydrophobicContact CZ-CD1 3.9Å; L58-L90 HydrophobicContact CB-CD1 3.75Å; L84-L90 HydrophobicContact CB-CD2 4.12Å; L84-L90 HydrophobicContact CD1-CD2 3.75Å; L84-L90 HydrophobicContact CD2-CD2 3.96Å; L84-L90 HydrophobicContact CG-CD2 4.12Å; Y87-L90 WeakPolarHBondContact O-CB 3.17Å; Y87-L90 PolarHBondContact O-N 3.1Å; Y87-L90 VanDerWaalsContact O-N 3.07Å; L90-G92 VanDerWaalsContact CD1-O 3.26Å; L90-G92 WeakPolarHBondContact CD1-O 3.29Å; L90-M118 CarbonylContact O-C 3.53Å; L90-L119 HydrophobicContact CD2-CD1 4.16Å; L90-L119 HydrophobicContact CG-CD1 4.18Å
91T93.1Very high91.7Very high24 Ų2434.5 Ų34.515%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-110.3-15.4177.853.20000113.8N55 F56 T89 R120 S121N55-T91 HydrophobicContact CB-CG2 3.6Å; F56-T91 PolarHBondContact O-N 3.31Å; F56-T91 PolarHBondContact O-OG1 2.95Å; T89-T91 PolarHBondContact O-N 3.34Å; T91-R120 HydrophobicContact CG2-CG 4.27Å; T91-R120 WeakPolarHBondContact O-CA 3.3Å; T91-R120 WeakPolarHBondContact O-CB 3.37Å; T91-R120 PolarHBondContact O-N 2.94Å; T91-S121 PolarHBondContact O-N 3.45Å
92G95.3Very high92Very high1 Ų135.7 Ų35.71%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-139.8143.2176.400000112.1F56 T57 L58 L90 S121F56-G92 PolarHBondContact O-N 3.29Å; T57-G92 CarbonylContact C-O 3.56Å; T57-G92 VanDerWaalsContact CA-O 3.26Å; T57-G92 WeakPolarHBondContact CA-O 3.4Å; L58-G92 PolarHBondContact N-O 3.49Å; L90-G92 VanDerWaalsContact CD1-O 3.26Å; L90-G92 WeakPolarHBondContact CD1-O 3.29Å; G92-S121 CarbonylContact C-O 3.32Å; G92-S121 WeakPolarHBondContact CA-O 3.27Å
93L96.9Very high92.3Very high3 Ų337.4 Ų37.42%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-135.3110.6175.6-179.157.1000108.8L58 L60 L84 L95 L108 L111 L119 S121 L122 D123L58-L93 HydrophobicContact CB-CD1 4.12Å; L58-L93 HydrophobicContact CD2-CD1 4.07Å; L58-L93 HydrophobicContact CG-CD1 4.27Å; L60-L93 HydrophobicContact CD1-CD1 4.47Å; L84-L93 HydrophobicContact CD1-CD1 4.34Å; L84-L93 HydrophobicContact CD1-CD2 4.08Å; L93-L95 HydrophobicContact CD1-CD1 4.29Å; L93-L95 HydrophobicContact CD1-CD2 4.22Å; L93-L95 HydrophobicContact CD1-CG 4.02Å; L93-L95 HydrophobicContact CD2-CD1 3.74Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.78Å; L93-L95 HydrophobicContact CG-CG 3.84Å; L93-L108 HydrophobicContact CD2-CD2 4.08Å; L93-L111 HydrophobicContact CD2-CD2 4.31Å; L93-L119 HydrophobicContact CB-CD1 3.8Å; L93-L119 HydrophobicContact CB-CD2 4.41Å; L93-S121 PolarHBondContact N-O 2.77Å; L93-L122 HydrophobicContact CB-CD1 4.07Å; L93-L122 HydrophobicContact CD2-CD1 4.08Å; L93-L122 HydrophobicContact CG-CD1 4.1Å; L93-L122 WeakPolarHBondContact O-CA 3.5Å; L93-D123 PolarHBondContact O-N 2.95Å
94D97.8Very high92.8Very high32 Ų3237.2 Ų37.217%0.17119%0.187CC..EExtended strand (participates in β ladder)trans-102.7109.8177.2172.88.5000109.4L58 N59 L60 A61 G96 D123L58-D94 PolarHBondContact O-N 3.36Å; N59-D94 PolarHBondContact ND2-OD2 3.38Å; L60-D94 CarbonylContact C-O 3.57Å; L60-D94 VanDerWaalsContact C-O 3.28Å; L60-D94 VanDerWaalsContact CA-O 3.27Å; L60-D94 WeakPolarHBondContact CA-O 3.27Å; L60-D94 WeakPolarHBondContact CB-O 3.26Å; L60-D94 PolarHBondContact N-O 3.24Å; A61-D94 PolarHBondContact N-O 3.06Å; D94-G96 PolarHBondContact OD1-N 2.54Å; D94-G96 VanDerWaalsContact OD1-N 3.1Å; D94-D123 HydrophobicContact CB-CB 4.34Å
95L98.2Very high93.2Very high0 Ų037 Ų370%019%0.185CC..  trans-120.218.8-179.3-67.9169.6000111.4L60 L72 I77 L93 N98 I100 L108 L122 D123 L124 N127L60-L95 HydrophobicContact CB-CD2 3.96Å; L60-L95 HydrophobicContact CD1-CD2 4.09Å; L72-L95 HydrophobicContact CD2-CD2 3.66Å; I77-L95 HydrophobicContact CD1-CD1 3.85Å; I77-L95 HydrophobicContact CD1-CD2 3.79Å; I77-L95 HydrophobicContact CD1-CG 4.43Å; L93-L95 HydrophobicContact CD1-CD1 4.29Å; L93-L95 HydrophobicContact CD1-CD2 4.22Å; L93-L95 HydrophobicContact CD1-CG 4.02Å; L93-L95 HydrophobicContact CD2-CD1 3.74Å; L93-L95 HydrophobicContact CD2-CG 4.34Å; L93-L95 HydrophobicContact CG-CD1 3.78Å; L93-L95 HydrophobicContact CG-CG 3.84Å; L95-N98 VanDerWaalsContact C-ND2 3.35Å; L95-N98 PolarHBondContact O-ND2 2.86Å; L95-I100 HydrophobicContact CB-CD1 3.75Å; L95-I100 HydrophobicContact CD1-CD1 4.08Å; L95-I100 HydrophobicContact CG-CD1 4.34Å; L95-L108 HydrophobicContact CD1-CD1 4.13Å; L95-L108 HydrophobicContact CD1-CD2 3.86Å; L95-L122 HydrophobicContact CD1-CD1 4.36Å; L95-D123 CarbonylContact C-O 3.38Å; L95-D123 WeakPolarHBondContact CA-O 3.06Å; L95-D123 WeakPolarHBondContact CB-O 3.45Å; L95-D123 PolarHBondContact N-O 2.91Å; L95-L124 HydrophobicContact CB-CD2 3.95Å; L95-L124 HydrophobicContact CD1-CD2 4.04Å; L95-N127 PolarHBondContact O-ND2 3.45Å
96G98.1Very high94Very high1 Ų135.6 Ų35.61%0.0118%0.184CC..THydrogen-bonded Turntrans-61.7153.7-178.300000112.7A61 G62 D94 N98 D123 T125A61-G96 CarbonylContact C-O 3.6Å; A61-G96 VanDerWaalsContact CA-O 3.29Å; A61-G96 WeakPolarHBondContact CA-O 3.47Å; G62-G96 PolarHBondContact N-O 3.37Å; D94-G96 PolarHBondContact OD1-N 2.54Å; D94-G96 VanDerWaalsContact OD1-N 3.1Å; G96-N98 VanDerWaalsContact C-N 3.32Å; G96-N98 PolarHBondContact O-N 2.88Å; G96-N98 PolarHBondContact O-ND2 3.08Å; G96-D123 PolarHBondContact N-O 2.67Å; G96-T125 CarbonylContact C-O 3.46Å; G96-T125 WeakPolarHBondContact CA-O 3.39Å
97Y97.7Very high95.2Very high86 Ų8631.6 Ų31.634%0.33716%0.159SC..THydrogen-bonded Turntrans60.632.5175.7-58.4-92000115.1G62 N63 R71 T125 F126G62-Y97 CarbonylContact C-O 3.58Å; G62-Y97 VanDerWaalsContact CA-O 3.24Å; G62-Y97 WeakPolarHBondContact CA-O 3.47Å; N63-Y97 HydrophobicContact CB-CD1 4.12Å; N63-Y97 HydrophobicContact CB-CD2 3.86Å; N63-Y97 HydrophobicContact CB-CE2 4.45Å; N63-Y97 HydrophobicContact CB-CG 3.67Å; R71-Y97 VanDerWaalsContact CD-O 3.31Å; R71-Y97 WeakPolarHBondContact CD-O 3.39Å; R71-Y97 PolarHBondContact NE-O 3.15Å; Y97-T125 PolarHBondContact N-O 3.31Å; Y97-F126 VanDerWaalsContact CA-O 3.28Å; Y97-F126 WeakPolarHBondContact CA-O 3.15Å; Y97-F126 HydrophobicContact CD1-CB 3.66Å; Y97-F126 AromaticContact CD1-CD2 3.91Å; Y97-F126 HydrophobicContact CD1-CD2 3.91Å; Y97-F126 AromaticContact CD1-CG 4Å; Y97-F126 HydrophobicContact CD1-CG 4Å; Y97-F126 HydrophobicContact CE1-CB 3.89Å; Y97-F126 AromaticContact CE1-CD2 3.21Å; Y97-F126 HydrophobicContact CE1-CD2 3.21Å; Y97-F126 AromaticContact CE1-CE2 3.87Å; Y97-F126 HydrophobicContact CE1-CE2 3.87Å; Y97-F126 AromaticContact CE1-CG 3.69Å; Y97-F126 HydrophobicContact CE1-CG 3.69Å; Y97-F126 HydrophobicContact CE2-CD2 4.07Å; Y97-F126 HydrophobicContact CG-CB 4.13Å; Y97-F126 AromaticContact CZ-CD2 3.3Å; Y97-F126 AromaticContact CZ-CE2 3.81Å; Y97-F126 WeakPolarHBondContact OH-CD2 3.33Å; Y97-F126 WeakPolarHBondContact OH-CE2 3.43Å
98N98.1Very high96Very high2 Ų229.7 Ų29.71%0.01115%0.152CC..SBendtrans-106.3-168.7175.8-74.5-60.9000111.5L60 L72 L95 G96 I100 N127L60-N98 PolarHBondContact O-ND2 2.85Å; L72-N98 HydrophobicContact CB-CB 4.1Å; L72-N98 PolarHBondContact N-OD1 3Å; L95-N98 VanDerWaalsContact C-ND2 3.35Å; L95-N98 PolarHBondContact O-ND2 2.86Å; G96-N98 VanDerWaalsContact C-N 3.32Å; G96-N98 PolarHBondContact O-N 2.88Å; G96-N98 PolarHBondContact O-ND2 3.08Å; N98-I100 HydrophobicContact CB-CD1 4.3Å; N98-I100 HydrophobicContact CB-CG1 4.13Å; N98-N127 VanDerWaalsContact CA-OD1 3.28Å; N98-N127 WeakPolarHBondContact CA-OD1 3.45Å; N98-N127 VanDerWaalsContact CB-OD1 3.26Å; N98-N127 WeakPolarHBondContact CB-OD1 3.34Å; N98-N127 PolarHBondContact N-OD1 3.5Å; N98-N127 PolarHBondContact O-OD1 3.06Å; N98-N127 VanDerWaalsContact O-OD1 3.07Å
99N97.8Very high96.9Very high69 Ų6924.6 Ų24.637%0.36913%0.129SC..  trans-111.438.6-179.1-62.8-5.7000111.4R71 L72 N127R71-N99 VanDerWaalsContact CD-OD1 3.29Å; R71-N99 WeakPolarHBondContact CD-OD1 3.35Å; L72-N99 WeakPolarHBondContact O-CA 3.47Å; L72-N99 WeakPolarHBondContact O-CB 3.47Å; L72-N99 PolarHBondContact O-N 3.43Å; N99-N127 PolarHBondContact N-OD1 3.39Å
100I98.7Very high97.4Very high0 Ų028 Ų280%014%0.144CC..  trans-77.1125.4-178.3-56.3171.2000109.3I77 L95 N98 L124 N127 N128 I129I77-I100 HydrophobicContact CD1-CD1 3.63Å; I77-I100 HydrophobicContact CD1-CG1 4.06Å; I77-I100 HydrophobicContact CG1-CD1 3.8Å; I77-I100 HydrophobicContact CG1-CG1 3.77Å; I77-I100 HydrophobicContact CG1-CG2 4.26Å; L95-I100 HydrophobicContact CB-CD1 3.75Å; L95-I100 HydrophobicContact CD1-CD1 4.08Å; L95-I100 HydrophobicContact CG-CD1 4.34Å; N98-I100 HydrophobicContact CB-CD1 4.3Å; N98-I100 HydrophobicContact CB-CG1 4.13Å; I100-L124 HydrophobicContact CD1-CD2 4.05Å; I100-N127 HydrophobicContact CB-CB 4.11Å; I100-N127 VanDerWaalsContact CB-OD1 3.29Å; I100-N127 WeakPolarHBondContact CB-OD1 3.34Å; I100-N127 VanDerWaalsContact CG1-OD1 3.28Å; I100-N127 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N127 PolarHBondContact N-OD1 2.72Å; I100-N128 CarbonylContact O-C 3.58Å; I100-N128 VanDerWaalsContact O-C 3.24Å; I100-N128 VanDerWaalsContact O-CA 3.26Å; I100-N128 WeakPolarHBondContact O-CA 3.01Å; I100-N128 WeakPolarHBondContact O-CB 3.34Å; I100-N128 PolarHBondContact O-N 3.04Å; I100-I129 HydrophobicContact CG2-CG1 4.47Å; I100-I129 PolarHBondContact O-N 2.76Å
101S98.8Very high97.7Very high34 Ų3427.8 Ų27.824%0.23814%0.143CC..  trans-101.3-168.1176.584.80000111.6D74 E103 G104 A105D74-S101 VanDerWaalsContact CG-OG 3.28Å; D74-S101 PolarHBondContact OD1-N 2.93Å; D74-S101 PolarHBondContact OD1-OG 3.25Å; D74-S101 VanDerWaalsContact OD2-CB 3.32Å; D74-S101 WeakPolarHBondContact OD2-CB 3.49Å; D74-S101 PolarHBondContact OD2-OG 3.29Å; S101-E103 PolarHBondContact O-N 3.4Å; S101-E103 PolarHBondContact OG-N 3.5Å; S101-G104 PolarHBondContact O-N 3.39Å; S101-A105 PolarHBondContact O-N 3.37Å
102D98.9Very high97.8Very high30 Ų3026.8 Ų26.816%0.1614%0.136CC..Hα-helixtrans-59.2-30.7173.6-67.5-19.8000112.5A105 A106 Q130 G133D102-A105 PolarHBondContact O-N 3.37Å; D102-A106 PolarHBondContact O-N 3.39Å; D102-Q130 WeakPolarHBondContact OD1-CA 3.32Å; D102-Q130 PolarHBondContact OD1-N 3.3Å; D102-G133 VanDerWaalsContact OD1-CA 3.28Å; D102-G133 WeakPolarHBondContact OD1-CA 3.47Å; D102-G133 PolarHBondContact OD1-N 2.94Å
103E98.8Very high97.8Very high111 Ų11132.6 Ų32.652%0.51916%0.163SC..Hα-helixtrans-66.3-47.1177-176.5173-16500111.3D74 S101 A105 A106 Y107D74-E103 HydrophobicContact CB-CB 4.14Å; D74-E103 HydrophobicContact CB-CG 4.21Å; S101-E103 PolarHBondContact O-N 3.4Å; S101-E103 PolarHBondContact OG-N 3.5Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 3.34Å; E103-A106 VanDerWaalsContact O-CB 3.3Å; E103-A106 WeakPolarHBondContact O-CB 3.19Å; E103-A106 PolarHBondContact O-N 3Å; E103-Y107 HydrophobicContact CG-CE2 3.81Å; E103-Y107 WeakPolarHBondContact O-CD2 3.48Å; E103-Y107 PolarHBondContact O-N 3.11Å; E103-Y107 PolarHBondContact OE1-OH 2.88Å
104G98.7Very high97.5Very high0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-66.1-34.7173.800000112.8D74 I77 S101 A106 Y107 L108D74-G104 VanDerWaalsContact CG-N 3.35Å; D74-G104 VanDerWaalsContact OD1-CA 3.24Å; D74-G104 WeakPolarHBondContact OD1-CA 3.32Å; D74-G104 PolarHBondContact OD1-N 2.89Å; I77-G104 WeakPolarHBondContact CG2-O 3.49Å; S101-G104 PolarHBondContact O-N 3.39Å; G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.16Å; G104-Y107 PolarHBondContact O-N 3.43Å; G104-L108 WeakPolarHBondContact O-CG 3.5Å; G104-L108 PolarHBondContact O-N 3.15Å
105A98.8Very high96.6Very high0 Ų041.1 Ų41.10%021%0.206CC..Hα-helixtrans-61.3-36.6172.200000112.2S101 D102 E103 L108 A109 I129 L137S101-A105 PolarHBondContact O-N 3.37Å; D102-A105 PolarHBondContact O-N 3.37Å; E103-A105 VanDerWaalsContact C-N 3.33Å; E103-A105 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 3.21Å; A105-A109 WeakPolarHBondContact O-CB 3.44Å; A105-A109 PolarHBondContact O-N 3.32Å; A105-I129 HydrophobicContact CB-CD1 4.19Å; A105-I129 HydrophobicContact CB-CG1 4.22Å; A105-I129 HydrophobicContact CB-CG2 4.14Å; A105-L137 HydrophobicContact CB-CD1 4.13Å; A105-L137 HydrophobicContact CB-CG 4.23Å
106A98.8Very high95.8Very high29 Ų2945.2 Ų45.224%0.2423%0.228CC..Hα-helixtrans-61.8-44.3174.400000112D102 E103 G104 L108 A109 M110 L136D102-A106 PolarHBondContact O-N 3.39Å; E103-A106 VanDerWaalsContact O-CB 3.3Å; E103-A106 WeakPolarHBondContact O-CB 3.19Å; E103-A106 PolarHBondContact O-N 3Å; G104-A106 VanDerWaalsContact C-N 3.28Å; G104-A106 PolarHBondContact O-N 3.16Å; A106-L108 VanDerWaalsContact C-N 3.3Å; A106-L108 PolarHBondContact O-N 2.97Å; A106-A109 WeakPolarHBondContact O-CB 3.39Å; A106-A109 PolarHBondContact O-N 2.74Å; A106-M110 WeakPolarHBondContact O-CG 3.34Å; A106-M110 PolarHBondContact O-N 3.43Å; A106-L136 HydrophobicContact CB-CD1 3.55Å
107Y98.5Very high95.3Very high45 Ų4546 Ų4618%0.17623%0.233CC..Hα-helixtrans-64.4-35.2176.2-60-41.4000112.7L78 S81 E103 G104 M110 L111L78-Y107 HydrophobicContact CB-CD2 3.74Å; L78-Y107 HydrophobicContact CB-CE2 3.57Å; L78-Y107 HydrophobicContact CB-CG 4.33Å; L78-Y107 HydrophobicContact CD1-CD1 3.88Å; L78-Y107 HydrophobicContact CD1-CD2 4.39Å; L78-Y107 HydrophobicContact CD1-CE1 3.63Å; L78-Y107 HydrophobicContact CD1-CE2 4.15Å; L78-Y107 HydrophobicContact CD1-CG 4.27Å; L78-Y107 HydrophobicContact CG-CE2 4.29Å; S81-Y107 WeakPolarHBondContact CB-O 3.36Å; E103-Y107 HydrophobicContact CG-CE2 3.81Å; E103-Y107 WeakPolarHBondContact O-CD2 3.48Å; E103-Y107 PolarHBondContact O-N 3.11Å; E103-Y107 PolarHBondContact OE1-OH 2.88Å; G104-Y107 PolarHBondContact O-N 3.43Å; Y107-M110 HydrophobicContact CD1-SD 4.46Å; Y107-M110 PolarHBondContact O-N 3.21Å; Y107-L111 PolarHBondContact O-N 2.71Å; Y107-L111 VanDerWaalsContact O-N 3.11Å
108L98.4Very high94.9Very high3 Ų345.1 Ų45.12%0.01623%0.233CC..Hα-helixtrans-70-38.4173.6-68.6166000112.2I77 L93 L95 G104 A105 A106 M110 L111 L112 L122 L124 L137I77-L108 HydrophobicContact CG2-CD1 4.12Å; I77-L108 HydrophobicContact CG2-CD2 3.92Å; I77-L108 HydrophobicContact CG2-CG 3.62Å; L93-L108 HydrophobicContact CD2-CD2 4.08Å; L95-L108 HydrophobicContact CD1-CD1 4.13Å; L95-L108 HydrophobicContact CD1-CD2 3.86Å; G104-L108 WeakPolarHBondContact O-CG 3.5Å; G104-L108 PolarHBondContact O-N 3.15Å; A105-L108 PolarHBondContact O-N 3.21Å; A106-L108 VanDerWaalsContact C-N 3.3Å; A106-L108 PolarHBondContact O-N 2.97Å; L108-M110 VanDerWaalsContact C-N 3.3Å; L108-M110 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD2 4.48Å; L108-L111 WeakPolarHBondContact O-CB 3.26Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-L111 VanDerWaalsContact O-N 3.11Å; L108-L112 WeakPolarHBondContact O-CG 3.22Å; L108-L112 PolarHBondContact O-N 3.06Å; L108-L122 HydrophobicContact CD2-CD1 4.46Å; L108-L124 HydrophobicContact CD1-CD1 4.03Å; L108-L124 HydrophobicContact CD1-CD2 3.43Å; L108-L124 VanDerWaalsContact CD1-CD2 3.43Å; L108-L124 HydrophobicContact CD1-CG 4.34Å; L108-L137 HydrophobicContact CB-CD2 4.13Å
109A98.3Very high94.7Very high5 Ų545.1 Ų45.14%0.04123%0.233CC..Hα-helixtrans-58.3-44172.800000110.8A105 A106 L111 L112 E113 L136 L137 S140A105-A109 WeakPolarHBondContact O-CB 3.44Å; A105-A109 PolarHBondContact O-N 3.32Å; A106-A109 WeakPolarHBondContact O-CB 3.39Å; A106-A109 PolarHBondContact O-N 2.74Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 2.78Å; A109-L112 PolarHBondContact O-N 2.93Å; A109-L112 VanDerWaalsContact O-N 3.11Å; A109-E113 WeakPolarHBondContact O-CG 3.25Å; A109-E113 PolarHBondContact O-N 3.2Å; A109-L136 HydrophobicContact CB-CB 4.18Å; A109-L137 HydrophobicContact CB-CD2 4.42Å; A109-S140 WeakPolarHBondContact O-CB 3.29Å
110M96.5Very high94.7Very high105 Ų10546.7 Ų46.752%0.51723%0.233SC..Hα-helixtrans-60.5-38.3173.6-66.9178.766.400112.8A106 Y107 L108 L112 E113 A114A106-M110 WeakPolarHBondContact O-CG 3.34Å; A106-M110 PolarHBondContact O-N 3.43Å; Y107-M110 HydrophobicContact CD1-SD 4.46Å; Y107-M110 PolarHBondContact O-N 3.21Å; L108-M110 VanDerWaalsContact C-N 3.3Å; L108-M110 PolarHBondContact O-N 3.45Å; M110-L112 VanDerWaalsContact C-N 3.34Å; M110-E113 PolarHBondContact O-N 3.27Å; M110-A114 PolarHBondContact O-N 3.39Å
111L95.4Very high94.7Very high3 Ų348.3 Ų48.32%0.01624%0.244CC..Hα-helixtrans-66.4-35.8175.117864.3000112.1L84 Q85 L93 Y107 L108 A109 A114 T117L84-L111 HydrophobicContact CB-CD1 4.06Å; L84-L111 HydrophobicContact CB-CD2 4.26Å; L84-L111 HydrophobicContact CD1-CD2 4.44Å; Q85-L111 HydrophobicContact CB-CD1 4.42Å; Q85-L111 HydrophobicContact CG-CD1 3.88Å; L93-L111 HydrophobicContact CD2-CD2 4.31Å; Y107-L111 PolarHBondContact O-N 2.71Å; Y107-L111 VanDerWaalsContact O-N 3.11Å; L108-L111 HydrophobicContact CD2-CD2 4.48Å; L108-L111 WeakPolarHBondContact O-CB 3.26Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-L111 VanDerWaalsContact O-N 3.11Å; A109-L111 VanDerWaalsContact C-N 3.31Å; A109-L111 PolarHBondContact O-N 2.78Å; L111-A114 WeakPolarHBondContact O-CB 3.21Å; L111-A114 PolarHBondContact O-N 2.79Å; L111-T117 WeakPolarHBondContact O-CB 3.31Å; L111-T117 PolarHBondContact O-OG1 3.13Å
112L96Very high94.7Very high3 Ų346.7 Ų46.72%0.01623%0.233CC..Hα-helixtrans-73.4-27.5177.1-69.4171.1000112.8L108 A109 M110 A114 L119 L122 L137 L141 N144 L147L108-L112 WeakPolarHBondContact O-CG 3.22Å; L108-L112 PolarHBondContact O-N 3.06Å; A109-L112 PolarHBondContact O-N 2.93Å; A109-L112 VanDerWaalsContact O-N 3.11Å; M110-L112 VanDerWaalsContact C-N 3.34Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-L119 HydrophobicContact CD2-CD2 4.04Å; L112-L122 HydrophobicContact CD1-CD2 4.1Å; L112-L137 HydrophobicContact CD1-CD2 4.09Å; L112-L141 HydrophobicContact CD1-CD2 4.12Å; L112-L141 HydrophobicContact CD1-CG 4.38Å; L112-N144 PolarHBondContact O-ND2 3.3Å; L112-L147 HydrophobicContact CD2-CB 4.45Å; L112-L147 HydrophobicContact CD2-CD1 4.14Å; L112-L147 HydrophobicContact CD2-CD2 4.09Å; L112-L147 HydrophobicContact CD2-CG 4.47Å
113E94.5Very high94.7Very high124 Ų12446.4 Ų46.458%0.57923%0.232SC*.Hα-helixtrans-80.7-14.7175.2-72.2175.8-177.800113.3A109 M110 Q115 S140A109-E113 WeakPolarHBondContact O-CG 3.25Å; A109-E113 PolarHBondContact O-N 3.2Å; M110-E113 PolarHBondContact O-N 3.27Å; E113-Q115 PolarHBondContact O-N 3.22Å; E113-S140 WeakPolarHBondContact OE1-CA 3.24Å
114A90.6Very high94.7Very high24 Ų2441.1 Ų41.120%0.19821%0.207CC..SBendtrans-60128.1179.400000110.9Q85 M110 L111 L112 D116 T117Q85-A114 HydrophobicContact CG-CB 4.2Å; M110-A114 PolarHBondContact O-N 3.39Å; L111-A114 WeakPolarHBondContact O-CB 3.21Å; L111-A114 PolarHBondContact O-N 2.79Å; L112-A114 VanDerWaalsContact C-N 3.34Å; A114-D116 PolarHBondContact O-N 3.4Å; A114-D116 VanDerWaalsContact O-N 3.11Å; A114-T117 WeakPolarHBondContact O-CB 3.28Å; A114-T117 WeakPolarHBondContact O-CG2 3.41Å; A114-T117 PolarHBondContact O-N 3.37Å; A114-T117 VanDerWaalsContact O-N 3.08Å
115Q79.9Confident94.7Very high190 Ų19041.8 Ų41.889%0.88821%0.211SC*.THydrogen-bonded Turntrans-56.3-34.7-169.6-174.3173.5-0.400114E113E113-Q115 PolarHBondContact O-N 3.22Å
116D80.9Confident94.6Very high85 Ų8545.9 Ų45.946%0.45523%0.229SC..THydrogen-bonded Turntrans-104.117.1-175.7-63-46.6000113.2A114 M118A114-D116 PolarHBondContact O-N 3.4Å; A114-D116 VanDerWaalsContact O-N 3.11Å; D116-M118 PolarHBondContact O-N 2.78Å
117T86.8Confident94.6Very high19 Ų1944.8 Ų44.812%0.11722%0.219CC..  trans-67.5121.2179.1-169.70000111.7L111 A114 S146L111-T117 WeakPolarHBondContact O-CB 3.31Å; L111-T117 PolarHBondContact O-OG1 3.13Å; A114-T117 WeakPolarHBondContact O-CB 3.28Å; A114-T117 WeakPolarHBondContact O-CG2 3.41Å; A114-T117 PolarHBondContact O-N 3.37Å; A114-T117 VanDerWaalsContact O-N 3.08Å; T117-S146 WeakPolarHBondContact CG2-OG 3.5Å; T117-S146 WeakPolarHBondContact O-CB 3.39Å; T117-S146 PolarHBondContact O-OG 3.27Å
118M90.1Very high94.6Very high67 Ų6747 Ų4733%0.3323%0.234SC..  trans-978.9178.3-62.2-62.5154.700112.6Q88 L90 D116 R120Q88-M118 HydrophobicContact CB-CG 4.02Å; Q88-M118 HydrophobicContact CG-CG 4.44Å; Q88-M118 VanDerWaalsContact O-CB 3.24Å; Q88-M118 WeakPolarHBondContact O-CB 3.47Å; Q88-M118 VanDerWaalsContact O-CG 3.27Å; Q88-M118 WeakPolarHBondContact O-CG 3.31Å; L90-M118 CarbonylContact O-C 3.53Å; D116-M118 PolarHBondContact O-N 2.78Å; M118-R120 WeakPolarHBondContact O-CG 3.09Å; M118-R120 PolarHBondContact O-N 3.35Å
119L94.7Very high94.6Very high2 Ų246.9 Ų46.91%0.0123%0.234CC..  trans-62.5119.4-176.5-165.967.2000110.4L90 L93 L112 S121 L122 S146 L147L90-L119 HydrophobicContact CD2-CD1 4.16Å; L90-L119 HydrophobicContact CG-CD1 4.18Å; L93-L119 HydrophobicContact CB-CD1 3.8Å; L93-L119 HydrophobicContact CB-CD2 4.41Å; L112-L119 HydrophobicContact CD2-CD2 4.04Å; L119-S121 WeakPolarHBondContact CD1-O 3.37Å; L119-L122 HydrophobicContact CD2-CB 4.2Å; L119-L122 HydrophobicContact CD2-CD1 4.5Å; L119-S146 CarbonylContact O-C 3.45Å; L119-S146 VanDerWaalsContact O-C 3.24Å; L119-S146 PolarHBondContact O-OG 2.99Å; L119-L147 HydrophobicContact CB-CD1 4.45Å; L119-L147 HydrophobicContact CD2-CD1 4.19Å; L119-L147 HydrophobicContact CG-CD1 3.98Å; L119-L147 VanDerWaalsContact O-CA 3.32Å; L119-L147 WeakPolarHBondContact O-CA 3.44Å; L119-L147 PolarHBondContact O-N 2.81Å
120R96.7Very high94.7Very high102 Ų10251.6 Ų51.639%0.38526%0.255SS..  trans-101.7-28.2179.6-57.2-54.1-171.4167.5-3.7112.4T91 M118 S146 L148 S149T91-R120 HydrophobicContact CG2-CG 4.27Å; T91-R120 WeakPolarHBondContact O-CA 3.3Å; T91-R120 WeakPolarHBondContact O-CB 3.37Å; T91-R120 PolarHBondContact O-N 2.94Å; M118-R120 WeakPolarHBondContact O-CG 3.09Å; M118-R120 PolarHBondContact O-N 3.35Å; R120-S146 WeakPolarHBondContact CD-O 3.37Å; R120-S146 PolarHBondContact NH1-O 3.5Å; R120-L148 HydrophobicContact CB-CD1 4.45Å; R120-L148 HydrophobicContact CB-CG 4.48Å; R120-L148 WeakPolarHBondContact O-CA 3.16Å; R120-L148 PolarHBondContact O-N 3.3Å; R120-S149 PolarHBondContact O-N 3.19Å
121S98.1Very high94.8Very high33 Ų3349 Ų4923%0.23124%0.244CC..EExtended strand (participates in β ladder)trans-136.6132.6-179175.50000111.3T91 G92 L93 L119 S149T91-S121 PolarHBondContact O-N 3.45Å; G92-S121 CarbonylContact C-O 3.32Å; G92-S121 WeakPolarHBondContact CA-O 3.27Å; L93-S121 PolarHBondContact N-O 2.77Å; L119-S121 WeakPolarHBondContact CD1-O 3.37Å; S121-S149 WeakPolarHBondContact CA-O 3.44Å
122L98.6Very high94.9Very high1 Ų153.5 Ų53.51%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-130.7117.6174.4178.657.3000109.4L93 L95 L108 L112 L119 L124 L147 S149 L150 R151L93-L122 HydrophobicContact CB-CD1 4.07Å; L93-L122 HydrophobicContact CD2-CD1 4.08Å; L93-L122 HydrophobicContact CG-CD1 4.1Å; L93-L122 WeakPolarHBondContact O-CA 3.5Å; L95-L122 HydrophobicContact CD1-CD1 4.36Å; L108-L122 HydrophobicContact CD2-CD1 4.46Å; L112-L122 HydrophobicContact CD1-CD2 4.1Å; L119-L122 HydrophobicContact CD2-CB 4.2Å; L119-L122 HydrophobicContact CD2-CD1 4.5Å; L122-L124 HydrophobicContact CD1-CD1 4.49Å; L122-L124 HydrophobicContact CD1-CD2 4.25Å; L122-L124 HydrophobicContact CD1-CG 4.14Å; L122-L124 HydrophobicContact CD2-CD1 3.9Å; L122-L124 HydrophobicContact CD2-CG 4.42Å; L122-L124 HydrophobicContact CG-CD1 4Å; L122-L124 HydrophobicContact CG-CG 3.99Å; L122-L147 HydrophobicContact CB-CD1 3.96Å; L122-L147 HydrophobicContact CB-CD2 4.36Å; L122-S149 PolarHBondContact N-O 2.84Å; L122-L150 HydrophobicContact CB-CD1 4.09Å; L122-L150 HydrophobicContact CD2-CD1 4Å; L122-L150 HydrophobicContact CG-CD1 4.08Å; L122-L150 WeakPolarHBondContact O-CA 3.35Å; L122-R151 PolarHBondContact O-N 3.39Å
123D98.8Very high95Very high24 Ų2453.3 Ų53.313%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-107.4117.6176-161.2-33.3000110.6L93 D94 L95 G96 T125 R151L93-D123 PolarHBondContact O-N 2.95Å; D94-D123 HydrophobicContact CB-CB 4.34Å; L95-D123 CarbonylContact C-O 3.38Å; L95-D123 WeakPolarHBondContact CA-O 3.06Å; L95-D123 WeakPolarHBondContact CB-O 3.45Å; L95-D123 PolarHBondContact N-O 2.91Å; G96-D123 PolarHBondContact N-O 2.67Å; D123-T125 WeakPolarHBondContact OD1-CB 3.3Å; D123-T125 PolarHBondContact OD1-N 2.91Å; D123-T125 PolarHBondContact OD1-OG1 2.87Å; D123-R151 IonicContact OD2-NH1 3.56Å
124L98.8Very high95.2Very high0 Ų047.4 Ų47.40%024%0.237CC..  trans-12317.8179.4-64.5168.1000111.5L95 I100 L108 L122 N127 I129 L137 L150 R151 L152 N155L95-L124 HydrophobicContact CB-CD2 3.95Å; L95-L124 HydrophobicContact CD1-CD2 4.04Å; I100-L124 HydrophobicContact CD1-CD2 4.05Å; L108-L124 HydrophobicContact CD1-CD1 4.03Å; L108-L124 HydrophobicContact CD1-CD2 3.43Å; L108-L124 VanDerWaalsContact CD1-CD2 3.43Å; L108-L124 HydrophobicContact CD1-CG 4.34Å; L122-L124 HydrophobicContact CD1-CD1 4.49Å; L122-L124 HydrophobicContact CD1-CD2 4.25Å; L122-L124 HydrophobicContact CD1-CG 4.14Å; L122-L124 HydrophobicContact CD2-CD1 3.9Å; L122-L124 HydrophobicContact CD2-CG 4.42Å; L122-L124 HydrophobicContact CG-CD1 4Å; L122-L124 HydrophobicContact CG-CG 3.99Å; L124-N127 PolarHBondContact O-ND2 3.41Å; L124-I129 HydrophobicContact CB-CD1 4.03Å; L124-I129 HydrophobicContact CD1-CD1 3.86Å; L124-I129 HydrophobicContact CD2-CD1 4.42Å; L124-I129 HydrophobicContact CG-CD1 4.33Å; L124-L137 HydrophobicContact CD1-CD1 3.87Å; L124-L150 HydrophobicContact CD1-CD1 4.44Å; L124-R151 WeakPolarHBondContact CA-O 3.41Å; L124-R151 WeakPolarHBondContact CB-O 3.32Å; L124-R151 PolarHBondContact N-O 2.92Å; L124-L152 HydrophobicContact CB-CD2 3.79Å; L124-L152 HydrophobicContact CD1-CD2 3.85Å; L124-L152 HydrophobicContact CG-CD2 4.48Å; L124-N155 PolarHBondContact O-ND2 3.47Å
125T98.6Very high95.6Very high14 Ų1450.8 Ų50.89%0.08625%0.249CC..THydrogen-bonded Turntrans-54.1138.3-177.8-55.30000111.2G96 Y97 D123 N127 S153G96-T125 CarbonylContact C-O 3.46Å; G96-T125 WeakPolarHBondContact CA-O 3.39Å; Y97-T125 PolarHBondContact N-O 3.31Å; D123-T125 WeakPolarHBondContact OD1-CB 3.3Å; D123-T125 PolarHBondContact OD1-N 2.91Å; D123-T125 PolarHBondContact OD1-OG1 2.87Å; T125-N127 PolarHBondContact O-ND2 3.22Å; T125-S153 CarbonylContact C-O 3.18Å; T125-S153 VanDerWaalsContact CA-O 3.23Å; T125-S153 WeakPolarHBondContact CA-O 3.47Å; T125-S153 WeakPolarHBondContact CG2-O 3.22Å
126F98.4Very high96.5Very high85 Ų8544.4 Ų44.437%0.37322%0.22SC..THydrogen-bonded Turntrans51.657.2179.3-66.1-75000114Y97 S153Y97-F126 VanDerWaalsContact CA-O 3.28Å; Y97-F126 WeakPolarHBondContact CA-O 3.15Å; Y97-F126 HydrophobicContact CD1-CB 3.66Å; Y97-F126 AromaticContact CD1-CD2 3.91Å; Y97-F126 HydrophobicContact CD1-CD2 3.91Å; Y97-F126 AromaticContact CD1-CG 4Å; Y97-F126 HydrophobicContact CD1-CG 4Å; Y97-F126 HydrophobicContact CE1-CB 3.89Å; Y97-F126 AromaticContact CE1-CD2 3.21Å; Y97-F126 HydrophobicContact CE1-CD2 3.21Å; Y97-F126 AromaticContact CE1-CE2 3.87Å; Y97-F126 HydrophobicContact CE1-CE2 3.87Å; Y97-F126 AromaticContact CE1-CG 3.69Å; Y97-F126 HydrophobicContact CE1-CG 3.69Å; Y97-F126 HydrophobicContact CE2-CD2 4.07Å; Y97-F126 HydrophobicContact CG-CB 4.13Å; Y97-F126 AromaticContact CZ-CD2 3.3Å; Y97-F126 AromaticContact CZ-CE2 3.81Å; Y97-F126 WeakPolarHBondContact OH-CD2 3.33Å; Y97-F126 WeakPolarHBondContact OH-CE2 3.43Å; F126-S153 PolarHBondContact N-O 2.99Å
127N98.8Very high97.4Very high7 Ų740.3 Ų40.34%0.03720%0.198CC..SBendtrans-113-166.1167-82.3-79.3000109.9L95 N98 N99 I100 L124 T125 I129 N155L95-N127 PolarHBondContact O-ND2 3.45Å; N98-N127 VanDerWaalsContact CA-OD1 3.28Å; N98-N127 WeakPolarHBondContact CA-OD1 3.45Å; N98-N127 VanDerWaalsContact CB-OD1 3.26Å; N98-N127 WeakPolarHBondContact CB-OD1 3.34Å; N98-N127 PolarHBondContact N-OD1 3.5Å; N98-N127 PolarHBondContact O-OD1 3.06Å; N98-N127 VanDerWaalsContact O-OD1 3.07Å; N99-N127 PolarHBondContact N-OD1 3.39Å; I100-N127 HydrophobicContact CB-CB 4.11Å; I100-N127 VanDerWaalsContact CB-OD1 3.29Å; I100-N127 WeakPolarHBondContact CB-OD1 3.34Å; I100-N127 VanDerWaalsContact CG1-OD1 3.28Å; I100-N127 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N127 PolarHBondContact N-OD1 2.72Å; L124-N127 PolarHBondContact O-ND2 3.41Å; T125-N127 PolarHBondContact O-ND2 3.22Å; N127-I129 HydrophobicContact CB-CG1 4.32Å; N127-N155 VanDerWaalsContact CA-OD1 3.31Å; N127-N155 WeakPolarHBondContact CA-OD1 3.46Å; N127-N155 VanDerWaalsContact CB-OD1 3.27Å; N127-N155 WeakPolarHBondContact CB-OD1 3.32Å; N127-N155 PolarHBondContact N-OD1 3.06Å; N127-N155 PolarHBondContact O-OD1 3.2Å; N127-N155 VanDerWaalsContact O-OD1 3.08Å
128N98.4Very high98Very high92 Ų9239.5 Ų39.549%0.49219%0.193SC..  trans-109.727.8179.7-64.3-20.6000112.3I100 N155I100-N128 CarbonylContact O-C 3.58Å; I100-N128 VanDerWaalsContact O-C 3.24Å; I100-N128 VanDerWaalsContact O-CA 3.26Å; I100-N128 WeakPolarHBondContact O-CA 3.01Å; I100-N128 WeakPolarHBondContact O-CB 3.34Å; I100-N128 PolarHBondContact O-N 3.04Å; N128-N155 PolarHBondContact N-OD1 3.42Å
129I98.8Very high98.4Very high0 Ų037.8 Ų37.80%019%0.193CC..  trans-71.2132.1177.6-56.9173.7000108.2I100 A105 L124 N127 L137 L152 N155 K156I100-I129 HydrophobicContact CG2-CG1 4.47Å; I100-I129 PolarHBondContact O-N 2.76Å; A105-I129 HydrophobicContact CB-CD1 4.19Å; A105-I129 HydrophobicContact CB-CG1 4.22Å; A105-I129 HydrophobicContact CB-CG2 4.14Å; L124-I129 HydrophobicContact CB-CD1 4.03Å; L124-I129 HydrophobicContact CD1-CD1 3.86Å; L124-I129 HydrophobicContact CD2-CD1 4.42Å; L124-I129 HydrophobicContact CG-CD1 4.33Å; N127-I129 HydrophobicContact CB-CG1 4.32Å; I129-L137 HydrophobicContact CD1-CD1 4.24Å; I129-L152 HydrophobicContact CD1-CD2 3.84Å; I129-N155 HydrophobicContact CB-CB 4.13Å; I129-N155 WeakPolarHBondContact CB-OD1 3.5Å; I129-N155 PolarHBondContact N-OD1 3.42Å; I129-N155 CarbonylContact O-C 3.32Å; I129-N155 WeakPolarHBondContact O-CB 3.12Å; I129-K156 PolarHBondContact O-N 3.31Å
130Q98.6Very high98.6Very high103 Ų10337.9 Ų37.948%0.48119%0.194SC..BIsolated β-bridgetrans-114.1-166.4179.6-50.6-174.530.100110.1D102 H132 G133 A134 K156D102-Q130 WeakPolarHBondContact OD1-CA 3.32Å; D102-Q130 PolarHBondContact OD1-N 3.3Å; Q130-H132 VanDerWaalsContact C-N 3.29Å; Q130-H132 PolarHBondContact O-N 3Å; Q130-G133 PolarHBondContact O-N 3.19Å; Q130-A134 WeakPolarHBondContact O-CB 3.38Å; Q130-A134 PolarHBondContact O-N 3.22Å; Q130-K156 CarbonylContact C-O 3.36Å; Q130-K156 VanDerWaalsContact CA-O 3.27Å; Q130-K156 WeakPolarHBondContact CA-O 3.44Å; Q130-K156 HydrophobicContact CG-CB 4.41Å
131T98.6Very high98.6Very high50 Ų5033.1 Ų33.131%0.30718%0.176SC..Hα-helixtrans-49.6-45.6178.8-540000113.1A134 E135 K156 I157 N160T131-A134 WeakPolarHBondContact O-CB 3.44Å; T131-A134 PolarHBondContact O-N 2.8Å; T131-E135 PolarHBondContact O-N 3.04Å; T131-K156 PolarHBondContact N-O 3.35Å; T131-I157 WeakPolarHBondContact CA-O 3.4Å; T131-I157 PolarHBondContact OG1-O 2.84Å; T131-N160 HydrophobicContact CG2-CB 3.62Å
132H98.8Very high98.6Very high98 Ų9836.3 Ų36.345%0.45419%0.187SC..Hα-helixtrans-73.5-40.2-173.8-177.454.1000112.5Q130 A134 E135 L136Q130-H132 VanDerWaalsContact C-N 3.29Å; Q130-H132 PolarHBondContact O-N 3Å; H132-A134 VanDerWaalsContact C-N 3.28Å; H132-A134 PolarHBondContact O-N 3.35Å; H132-E135 IonicContact CE1-OE2 3.82Å; H132-E135 IonicContact ND1-OE2 3.34Å; H132-E135 PolarHBondContact ND1-OE2 3.28Å; H132-E135 VanDerWaalsContact ND1-OE2 3.07Å; H132-E135 WeakPolarHBondContact O-CB 3.34Å; H132-E135 PolarHBondContact O-N 3.28Å; H132-L136 WeakPolarHBondContact O-CG 3.36Å; H132-L136 PolarHBondContact O-N 3.33Å; H132-L136 VanDerWaalsContact O-N 3.1Å
133G98.8Very high98.3Very high0 Ų039.7 Ų39.70%022%0.222CC..Hα-helixtrans-64.3-35.7173.300000112D102 Q130 L136 L137D102-G133 VanDerWaalsContact OD1-CA 3.28Å; D102-G133 WeakPolarHBondContact OD1-CA 3.47Å; D102-G133 PolarHBondContact OD1-N 2.94Å; Q130-G133 PolarHBondContact O-N 3.19Å; G133-L136 PolarHBondContact O-N 3.48Å; G133-L137 VanDerWaalsContact O-CG 3.3Å; G133-L137 WeakPolarHBondContact O-CG 3.44Å; G133-L137 PolarHBondContact O-N 2.91Å
134A98.8Very high98.2Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-64.5-41.8173.200000113.1Q130 T131 H132 L136 L137 A138 I157 F165Q130-A134 WeakPolarHBondContact O-CB 3.38Å; Q130-A134 PolarHBondContact O-N 3.22Å; T131-A134 WeakPolarHBondContact O-CB 3.44Å; T131-A134 PolarHBondContact O-N 2.8Å; H132-A134 VanDerWaalsContact C-N 3.28Å; H132-A134 PolarHBondContact O-N 3.35Å; A134-L136 VanDerWaalsContact C-N 3.35Å; A134-L136 PolarHBondContact O-N 3.19Å; A134-L137 PolarHBondContact O-N 3.34Å; A134-A138 VanDerWaalsContact O-CB 3.25Å; A134-A138 WeakPolarHBondContact O-CB 3.39Å; A134-A138 PolarHBondContact O-N 2.94Å; A134-I157 HydrophobicContact CB-CB 4.27Å; A134-I157 HydrophobicContact CB-CD1 4.4Å; A134-I157 HydrophobicContact CB-CG1 4.08Å; A134-I157 HydrophobicContact CB-CG2 3.61Å; A134-F165 HydrophobicContact CB-CE2 3.9Å
135E98.9Very high98.1Very high95 Ų9543.4 Ų43.444%0.44425%0.249SC..Hα-helixtrans-55.8-49173.2178-170.5-169.900110.8T131 H132 A138 G139T131-E135 PolarHBondContact O-N 3.04Å; H132-E135 IonicContact CE1-OE2 3.82Å; H132-E135 IonicContact ND1-OE2 3.34Å; H132-E135 PolarHBondContact ND1-OE2 3.28Å; H132-E135 VanDerWaalsContact ND1-OE2 3.07Å; H132-E135 WeakPolarHBondContact O-CB 3.34Å; H132-E135 PolarHBondContact O-N 3.28Å; E135-A138 PolarHBondContact O-N 2.93Å; E135-G139 PolarHBondContact O-N 2.87Å
136L98.9Very high98Very high55 Ų5543.1 Ų43.129%0.28825%0.248SC..Hα-helixtrans-63.1-45.7179.6-65.3173.8000112.2A106 A109 H132 G133 A134 G139 S140A106-L136 HydrophobicContact CB-CD1 3.55Å; A109-L136 HydrophobicContact CB-CB 4.18Å; H132-L136 WeakPolarHBondContact O-CG 3.36Å; H132-L136 PolarHBondContact O-N 3.33Å; H132-L136 VanDerWaalsContact O-N 3.1Å; G133-L136 PolarHBondContact O-N 3.48Å; A134-L136 VanDerWaalsContact C-N 3.35Å; A134-L136 PolarHBondContact O-N 3.19Å; L136-G139 PolarHBondContact O-N 3.45Å; L136-S140 PolarHBondContact O-N 3.25Å
137L98.8Very high98Very high0 Ų039.1 Ų39.10%023%0.23CC..Hα-helixtrans-62.7-47.2176.3-70.3172000111.2A105 L108 A109 L112 L124 I129 G133 A134 G139 S140 L141 L152 F165A105-L137 HydrophobicContact CB-CD1 4.13Å; A105-L137 HydrophobicContact CB-CG 4.23Å; L108-L137 HydrophobicContact CB-CD2 4.13Å; A109-L137 HydrophobicContact CB-CD2 4.42Å; L112-L137 HydrophobicContact CD1-CD2 4.09Å; L124-L137 HydrophobicContact CD1-CD1 3.87Å; I129-L137 HydrophobicContact CD1-CD1 4.24Å; G133-L137 VanDerWaalsContact O-CG 3.3Å; G133-L137 WeakPolarHBondContact O-CG 3.44Å; G133-L137 PolarHBondContact O-N 2.91Å; A134-L137 PolarHBondContact O-N 3.34Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.21Å; L137-S140 PolarHBondContact O-N 2.85Å; L137-S140 PolarHBondContact O-OG 3.34Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.48Å; L137-L141 PolarHBondContact O-N 3.02Å; L137-L152 HydrophobicContact CD1-CD1 4.42Å; L137-L152 HydrophobicContact CD1-CD2 3.97Å; L137-F165 HydrophobicContact CB-CZ 4.35Å
138A98.8Very high98Very high1 Ų141 Ų411%0.00824%0.241CC..Hα-helixtrans-61.5-38.617700000112A134 E135 L141 Q142 D164 F165 M168A134-A138 VanDerWaalsContact O-CB 3.25Å; A134-A138 WeakPolarHBondContact O-CB 3.39Å; A134-A138 PolarHBondContact O-N 2.94Å; E135-A138 PolarHBondContact O-N 2.93Å; A138-L141 PolarHBondContact O-N 3.03Å; A138-Q142 PolarHBondContact O-N 2.71Å; A138-D164 HydrophobicContact CB-CB 3.85Å; A138-F165 HydrophobicContact CB-CD1 3.97Å; A138-F165 HydrophobicContact CB-CE1 4.01Å; A138-F165 HydrophobicContact CB-CG 4.27Å; A138-F165 HydrophobicContact CB-CZ 4.34Å; A138-M168 HydrophobicContact CB-CB 4.17Å; A138-M168 VanDerWaalsContact O-CG 3.24Å; A138-M168 WeakPolarHBondContact O-CG 3.08Å
139G98.7Very high98Very high32 Ų3236.9 Ų36.933%0.3322%0.219SC..Hα-helixtrans-59.7-53.3174.400000112.5E135 L136 L137 L141 Q142E135-G139 PolarHBondContact O-N 2.87Å; L136-G139 PolarHBondContact O-N 3.45Å; L137-G139 VanDerWaalsContact C-N 3.29Å; L137-G139 PolarHBondContact O-N 3.21Å; G139-L141 PolarHBondContact O-N 3.29Å; G139-L141 VanDerWaalsContact O-N 3.16Å; G139-Q142 WeakPolarHBondContact O-CB 3.41Å; G139-Q142 PolarHBondContact O-N 2.94Å
140S98.3Very high98Very high3 Ų336.9 Ų36.92%0.02122%0.219CC..Hα-helixtrans-57-33.1178.966.50000113A109 E113 L136 L137 Q142 N144A109-S140 WeakPolarHBondContact O-CB 3.29Å; E113-S140 WeakPolarHBondContact OE1-CA 3.24Å; L136-S140 PolarHBondContact O-N 3.25Å; L137-S140 PolarHBondContact O-N 2.85Å; L137-S140 PolarHBondContact O-OG 3.34Å; S140-Q142 VanDerWaalsContact C-N 3.33Å; S140-Q142 PolarHBondContact O-N 2.78Å; S140-N144 PolarHBondContact O-N 3.34Å
141L98.2Very high98Very high2 Ų234.3 Ų34.31%0.0121%0.205CC..Hα-helixtrans-77.9-13.2-178.4-69.4172.4000114.1L112 L137 A138 G139 G143 N144 L147 L150 F165 M168 N172L112-L141 HydrophobicContact CD1-CD2 4.12Å; L112-L141 HydrophobicContact CD1-CG 4.38Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.48Å; L137-L141 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.03Å; G139-L141 PolarHBondContact O-N 3.29Å; G139-L141 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.21Å; L141-N144 HydrophobicContact CD2-CB 3.86Å; L141-N144 PolarHBondContact O-N 3.36Å; L141-L147 HydrophobicContact CD1-CD2 4.39Å; L141-L147 HydrophobicContact CD2-CB 4.02Å; L141-L147 HydrophobicContact CD2-CD2 3.63Å; L141-L147 HydrophobicContact CD2-CG 4.46Å; L141-L150 HydrophobicContact CD1-CD2 3.63Å; L141-F165 HydrophobicContact CD1-CE1 4.42Å; L141-M168 HydrophobicContact CB-CG 3.68Å; L141-M168 HydrophobicContact CB-SD 4.06Å; L141-M168 HydrophobicContact CD1-CE 4.44Å; L141-N172 PolarHBondContact O-ND2 2.81Å
142Q97.1Very high98Very high101 Ų10131.9 Ų31.947%0.47219%0.19SC..THydrogen-bonded Turntrans-61.9-36.6176.8-64.9-176.22400112.2A138 G139 S140 M168 V171A138-Q142 PolarHBondContact O-N 2.71Å; G139-Q142 WeakPolarHBondContact O-CB 3.41Å; G139-Q142 PolarHBondContact O-N 2.94Å; S140-Q142 VanDerWaalsContact C-N 3.33Å; S140-Q142 PolarHBondContact O-N 2.78Å; Q142-M168 HydrophobicContact CG-CB 4.45Å; Q142-M168 HydrophobicContact CG-CG 4.43Å; Q142-V171 HydrophobicContact CB-CG1 4.49Å
143G93.6Very high98Very high71 Ų7127.8 Ų27.873%0.73217%0.172SC*.THydrogen-bonded Turntrans-101.1-10.9177.500000114.7L141 S145L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.21Å; G143-S145 PolarHBondContact O-N 3.27Å
144N96.8Very high97.9Very high9 Ų928.8 Ų28.85%0.04818%0.182CC..  trans-71.1130.4-179.4-176-80000111.4L112 S140 L141 S146 L147 N172L112-N144 PolarHBondContact O-ND2 3.3Å; S140-N144 PolarHBondContact O-N 3.34Å; L141-N144 HydrophobicContact CD2-CB 3.86Å; L141-N144 PolarHBondContact O-N 3.36Å; N144-S146 PolarHBondContact ND2-OG 2.68Å; N144-S146 VanDerWaalsContact ND2-OG 3.15Å; N144-S146 PolarHBondContact OD1-N 3.06Å; N144-S146 PolarHBondContact OD1-OG 2.75Å; N144-L147 WeakPolarHBondContact OD1-CB 3.29Å; N144-L147 PolarHBondContact OD1-N 3.15Å; N144-N172 PolarHBondContact O-ND2 3.17Å
145S95.9Very high97.9Very high93 Ų9328.8 Ų28.865%0.6518%0.182SC*.SBendtrans-119.310.8179.958.40000113.5G143 T174G143-S145 PolarHBondContact O-N 3.27Å; S145-T174 WeakPolarHBondContact O-CG2 3.4Å
146S96Very high97.9Very high9 Ų930.8 Ų30.86%0.06319%0.19CC..SBendtrans-106.1-41.7-179.852.90000113.3T117 L119 R120 N144 L148T117-S146 WeakPolarHBondContact CG2-OG 3.5Å; T117-S146 WeakPolarHBondContact O-CB 3.39Å; T117-S146 PolarHBondContact O-OG 3.27Å; L119-S146 CarbonylContact O-C 3.45Å; L119-S146 VanDerWaalsContact O-C 3.24Å; L119-S146 PolarHBondContact O-OG 2.99Å; R120-S146 WeakPolarHBondContact CD-O 3.37Å; R120-S146 PolarHBondContact NH1-O 3.5Å; N144-S146 PolarHBondContact ND2-OG 2.68Å; N144-S146 VanDerWaalsContact ND2-OG 3.15Å; N144-S146 PolarHBondContact OD1-N 3.06Å; N144-S146 PolarHBondContact OD1-OG 2.75Å; S146-L148 PolarHBondContact O-N 2.6Å
147L98Very high97.8Very high0 Ų028.2 Ų28.20%018%0.176CC..  trans-72.2124.1-171.9-160.276.4000111.7L112 L119 L122 L141 N144 L150 L175L112-L147 HydrophobicContact CD2-CB 4.45Å; L112-L147 HydrophobicContact CD2-CD1 4.14Å; L112-L147 HydrophobicContact CD2-CD2 4.09Å; L112-L147 HydrophobicContact CD2-CG 4.47Å; L119-L147 HydrophobicContact CB-CD1 4.45Å; L119-L147 HydrophobicContact CD2-CD1 4.19Å; L119-L147 HydrophobicContact CG-CD1 3.98Å; L119-L147 VanDerWaalsContact O-CA 3.32Å; L119-L147 WeakPolarHBondContact O-CA 3.44Å; L119-L147 PolarHBondContact O-N 2.81Å; L122-L147 HydrophobicContact CB-CD1 3.96Å; L122-L147 HydrophobicContact CB-CD2 4.36Å; L141-L147 HydrophobicContact CD1-CD2 4.39Å; L141-L147 HydrophobicContact CD2-CB 4.02Å; L141-L147 HydrophobicContact CD2-CD2 3.63Å; L141-L147 HydrophobicContact CD2-CG 4.46Å; N144-L147 WeakPolarHBondContact OD1-CB 3.29Å; N144-L147 PolarHBondContact OD1-N 3.15Å; L147-L150 HydrophobicContact CD2-CB 4.03Å; L147-L150 HydrophobicContact CD2-CD1 4.25Å; L147-L175 HydrophobicContact CD2-CD1 4.3Å; L147-L175 HydrophobicContact CG-CD1 4.35Å
148L98.4Very high97.7Very high48 Ų4828.7 Ų28.725%0.25118%0.181SC..  trans-105.2-28.3179.9-56.5-179.4000112.1R120 S146 T174 Q176 E177R120-L148 HydrophobicContact CB-CD1 4.45Å; R120-L148 HydrophobicContact CB-CG 4.48Å; R120-L148 WeakPolarHBondContact O-CA 3.16Å; R120-L148 PolarHBondContact O-N 3.3Å; S146-L148 PolarHBondContact O-N 2.6Å; L148-T174 HydrophobicContact CD2-CG2 4.04Å; L148-Q176 HydrophobicContact CD2-CG 4.37Å; L148-Q176 CarbonylContact O-C 3.45Å; L148-Q176 WeakPolarHBondContact O-CA 3.47Å; L148-Q176 PolarHBondContact O-N 3.33Å; L148-E177 PolarHBondContact O-N 2.95Å
149S98.6Very high97.6Very high5 Ų532.9 Ų32.94%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-135.2123.5-175.6171.30000110.8R120 S121 L122 E177R120-S149 PolarHBondContact O-N 3.19Å; S121-S149 WeakPolarHBondContact CA-O 3.44Å; L122-S149 PolarHBondContact N-O 2.84Å; S149-E177 WeakPolarHBondContact CB-OE2 3.37Å; S149-E177 PolarHBondContact OG-OE2 2.68Å
150L98.8Very high97.5Very high0 Ų035.2 Ų35.20%020%0.202CC..EExtended strand (participates in β ladder)trans-125119.2171.8-179.767.1000109.7L122 L124 L141 L147 L152 F165 L175 E177 L178 E179L122-L150 HydrophobicContact CB-CD1 4.09Å; L122-L150 HydrophobicContact CD2-CD1 4Å; L122-L150 HydrophobicContact CG-CD1 4.08Å; L122-L150 WeakPolarHBondContact O-CA 3.35Å; L124-L150 HydrophobicContact CD1-CD1 4.44Å; L141-L150 HydrophobicContact CD1-CD2 3.63Å; L147-L150 HydrophobicContact CD2-CB 4.03Å; L147-L150 HydrophobicContact CD2-CD1 4.25Å; L150-L152 HydrophobicContact CD1-CD1 4.31Å; L150-L152 HydrophobicContact CD1-CG 4.32Å; L150-L152 HydrophobicContact CD2-CD1 3.56Å; L150-L152 HydrophobicContact CD2-CG 4.37Å; L150-L152 HydrophobicContact CG-CD1 3.86Å; L150-L152 HydrophobicContact CG-CG 4.14Å; L150-F165 HydrophobicContact CD2-CE1 3.6Å; L150-F165 HydrophobicContact CD2-CZ 3.96Å; L150-L175 HydrophobicContact CB-CD1 4.21Å; L150-E177 PolarHBondContact N-O 2.73Å; L150-L178 HydrophobicContact CB-CD1 4.31Å; L150-L178 HydrophobicContact CD2-CD1 3.99Å; L150-L178 HydrophobicContact CG-CD1 4.4Å; L150-L178 WeakPolarHBondContact O-CA 3.5Å; L150-E179 PolarHBondContact O-N 3.38Å
151R98.8Very high97.5Very high48 Ų4835.1 Ų35.118%0.18120%0.201CC..EExtended strand (participates in β ladder)trans-110.9124.5173.5-56.8-167.9-175.196.914.2110.9L122 D123 L124 E177 E179L122-R151 PolarHBondContact O-N 3.39Å; D123-R151 IonicContact OD2-NH1 3.56Å; L124-R151 WeakPolarHBondContact CA-O 3.41Å; L124-R151 WeakPolarHBondContact CB-O 3.32Å; L124-R151 PolarHBondContact N-O 2.92Å; R151-E177 IonicContact CZ-OE1 3.08Å; R151-E177 IonicContact CZ-OE2 2.81Å; R151-E177 IonicContact NE-OE1 2.75Å; R151-E177 PolarHBondContact NE-OE1 3.08Å; R151-E177 IonicContact NH2-OE1 3.49Å; R151-E177 PolarHBondContact NH2-OE1 3.48Å; R151-E177 IonicContact NH2-OE2 2.71Å; R151-E177 PolarHBondContact NH2-OE2 3.47Å; R151-E179 HydrophobicContact CB-CB 4.27Å; R151-E179 VanDerWaalsContact CD-CD 3.5Å; R151-E179 WeakPolarHBondContact CD-OE1 3.29Å; R151-E179 HydrophobicContact CG-CB 4.21Å; R151-E179 HydrophobicContact CG-CG 3.95Å; R151-E179 IonicContact NE-OE1 3.6Å; R151-E179 PolarHBondContact NE-OE1 2.96Å
152L98.7Very high97.5Very high0 Ų035 Ų350%020%0.2CC..  trans-130.19.3-177.3-83.1163.2000112.2L124 I129 L137 L150 G154 N155 I157 F165 E179 L180 C183L124-L152 HydrophobicContact CB-CD2 3.79Å; L124-L152 HydrophobicContact CD1-CD2 3.85Å; L124-L152 HydrophobicContact CG-CD2 4.48Å; I129-L152 HydrophobicContact CD1-CD2 3.84Å; L137-L152 HydrophobicContact CD1-CD1 4.42Å; L137-L152 HydrophobicContact CD1-CD2 3.97Å; L150-L152 HydrophobicContact CD1-CD1 4.31Å; L150-L152 HydrophobicContact CD1-CG 4.32Å; L150-L152 HydrophobicContact CD2-CD1 3.56Å; L150-L152 HydrophobicContact CD2-CG 4.37Å; L150-L152 HydrophobicContact CG-CD1 3.86Å; L150-L152 HydrophobicContact CG-CG 4.14Å; L152-G154 PolarHBondContact O-N 3Å; L152-N155 WeakPolarHBondContact O-CB 3.48Å; L152-N155 PolarHBondContact O-N 2.86Å; L152-N155 PolarHBondContact O-ND2 3.34Å; L152-I157 HydrophobicContact CB-CD1 3.9Å; L152-I157 HydrophobicContact CD1-CD1 4.11Å; L152-I157 HydrophobicContact CG-CD1 4.43Å; L152-F165 HydrophobicContact CD1-CE1 4.13Å; L152-F165 HydrophobicContact CD1-CE2 3.7Å; L152-F165 HydrophobicContact CD1-CZ 3.27Å; L152-E179 WeakPolarHBondContact CA-O 3.12Å; L152-E179 WeakPolarHBondContact CB-O 3.45Å; L152-E179 PolarHBondContact N-O 2.84Å; L152-L180 HydrophobicContact CB-CD2 4.08Å; L152-L180 HydrophobicContact CD1-CD2 4.1Å; L152-C183 PolarHBondContact O-SG 3.19Å
153S98.4Very high97.6Very high12 Ų1233.2 Ų33.28%0.08419%0.194CC..THydrogen-bonded Turntrans-53.8139.4-173.4-63.60000112.7T125 F126 E179 G181T125-S153 CarbonylContact C-O 3.18Å; T125-S153 VanDerWaalsContact CA-O 3.23Å; T125-S153 WeakPolarHBondContact CA-O 3.47Å; T125-S153 WeakPolarHBondContact CG2-O 3.22Å; F126-S153 PolarHBondContact N-O 2.99Å; S153-E179 PolarHBondContact N-O 2.91Å; S153-E179 WeakPolarHBondContact OG-CB 3.4Å; S153-E179 PolarHBondContact OG-OE2 3.29Å; S153-G181 CarbonylContact C-O 3.38Å; S153-G181 WeakPolarHBondContact CA-O 3.15Å; S153-G181 WeakPolarHBondContact CB-O 3.44Å; S153-G181 PolarHBondContact OG-N 3.05Å
154G98.1Very high97.8Very high20 Ų2032.3 Ų32.321%0.20617%0.172CC..THydrogen-bonded Turntrans7817.7179.100000115.9L152 G181L152-G154 PolarHBondContact O-N 3Å; G154-G181 PolarHBondContact N-O 3.16Å
155N98.7Very high97.9Very high0 Ų031.9 Ų31.90%017%0.17CC..SBendtrans-101160.2170.8-76-80.2000111.3L124 N127 N128 I129 L152 I157 C183L124-N155 PolarHBondContact O-ND2 3.47Å; N127-N155 VanDerWaalsContact CA-OD1 3.31Å; N127-N155 WeakPolarHBondContact CA-OD1 3.46Å; N127-N155 VanDerWaalsContact CB-OD1 3.27Å; N127-N155 WeakPolarHBondContact CB-OD1 3.32Å; N127-N155 PolarHBondContact N-OD1 3.06Å; N127-N155 PolarHBondContact O-OD1 3.2Å; N127-N155 VanDerWaalsContact O-OD1 3.08Å; N128-N155 PolarHBondContact N-OD1 3.42Å; I129-N155 HydrophobicContact CB-CB 4.13Å; I129-N155 WeakPolarHBondContact CB-OD1 3.5Å; I129-N155 PolarHBondContact N-OD1 3.42Å; I129-N155 CarbonylContact O-C 3.32Å; I129-N155 WeakPolarHBondContact O-CB 3.12Å; L152-N155 WeakPolarHBondContact O-CB 3.48Å; L152-N155 PolarHBondContact O-N 2.86Å; L152-N155 PolarHBondContact O-ND2 3.34Å; N155-I157 VanDerWaalsContact C-N 3.34Å; N155-I157 HydrophobicContact CB-CD1 4.47Å; N155-I157 HydrophobicContact CB-CG1 4.1Å; N155-I157 PolarHBondContact O-N 2.85Å; N155-I157 VanDerWaalsContact O-N 3.13Å; N155-C183 CarbonylContact O-C 3.49Å; N155-C183 WeakPolarHBondContact O-CA 3.42Å
156K97.4Very high98.1Very high138 Ų13827.7 Ų27.760%0.614%0.141SC*.BIsolated β-bridgetrans-93.355.9-175.5-62.5-176.7-178.7175.70113.1I129 Q130 T131 G158I129-K156 PolarHBondContact O-N 3.31Å; Q130-K156 CarbonylContact C-O 3.36Å; Q130-K156 VanDerWaalsContact CA-O 3.27Å; Q130-K156 WeakPolarHBondContact CA-O 3.44Å; Q130-K156 HydrophobicContact CG-CB 4.41Å; T131-K156 PolarHBondContact N-O 3.35Å; K156-G158 PolarHBondContact O-N 2.75Å
157I97.6Very high98.2Very high0 Ų028.7 Ų28.70%015%0.152CC..  trans-66.1-36.7-172.1-63.5-177.2000112.4T131 A134 L152 N155 G161 F165 L180 C183 L185T131-I157 WeakPolarHBondContact CA-O 3.4Å; T131-I157 PolarHBondContact OG1-O 2.84Å; A134-I157 HydrophobicContact CB-CB 4.27Å; A134-I157 HydrophobicContact CB-CD1 4.4Å; A134-I157 HydrophobicContact CB-CG1 4.08Å; A134-I157 HydrophobicContact CB-CG2 3.61Å; L152-I157 HydrophobicContact CB-CD1 3.9Å; L152-I157 HydrophobicContact CD1-CD1 4.11Å; L152-I157 HydrophobicContact CG-CD1 4.43Å; N155-I157 VanDerWaalsContact C-N 3.34Å; N155-I157 HydrophobicContact CB-CD1 4.47Å; N155-I157 HydrophobicContact CB-CG1 4.1Å; N155-I157 PolarHBondContact O-N 2.85Å; N155-I157 VanDerWaalsContact O-N 3.13Å; I157-G161 PolarHBondContact O-N 2.86Å; I157-F165 HydrophobicContact CD1-CE2 4.18Å; I157-L180 HydrophobicContact CD1-CD2 3.64Å; I157-C183 HydrophobicContact CB-CB 4.04Å; I157-C183 HydrophobicContact CD1-CB 3.99Å; I157-C183 HydrophobicContact CG1-CB 4.11Å; I157-C183 PolarHBondContact N-O 2.79Å; I157-L185 HydrophobicContact CG2-CD2 4.44Å
158G96.6Very high98.2Very high11 Ų1128.7 Ų28.711%0.11315%0.152CC..Hα-helixtrans70-170.4173.500000114.7K156 G162 C183 D184K156-G158 PolarHBondContact O-N 2.75Å; G158-G162 PolarHBondContact O-N 3.34Å; G158-C183 PolarHBondContact N-O 2.93Å; G158-D184 WeakPolarHBondContact CA-O 3.48Å
159R96.1Very high98.2Very high88 Ų8826.4 Ų26.433%0.33214%0.14SC..Hα-helixtrans-56.9-52.4-179.1-177.8178.6175.5-111.88.4113.8G162 L163 E186 H188R159-G162 PolarHBondContact O-N 3.05Å; R159-L163 PolarHBondContact O-N 2.99Å; R159-E186 HydrophobicContact CB-CB 3.93Å; R159-E186 HydrophobicContact CB-CG 4.11Å; R159-E186 HydrophobicContact CG-CB 4.22Å; R159-H188 HydrophobicContact CG-CB 3.96Å; R159-H188 PolarHBondContact NE-ND1 2.91Å; R159-H188 VanDerWaalsContact NE-ND1 3.14Å; R159-H188 PolarHBondContact NH2-CD2 2.88Å; R159-H188 PolarHBondContact NH2-NE2 3.49Å
160N97.9Very high98.2Very high82 Ų8233.8 Ų33.844%0.43917%0.168SC..Hα-helixtrans-73.2-42-170.7-68.9-12000110.8T131 G162 L163 D164T131-N160 HydrophobicContact CG2-CB 3.62Å; N160-G162 PolarHBondContact O-N 3.43Å; N160-L163 CarbonylContact O-C 3.43Å; N160-L163 WeakPolarHBondContact O-CA 3.45Å; N160-L163 VanDerWaalsContact O-CB 3.3Å; N160-L163 WeakPolarHBondContact O-CB 3.26Å; N160-L163 PolarHBondContact O-N 3.07Å; N160-D164 VanDerWaalsContact O-CG 3.29Å; N160-D164 PolarHBondContact O-N 3.35Å; N160-D164 VanDerWaalsContact O-OD2 3.08Å
161G98.2Very high98.2Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-61.2-33.9175.500000112.6I157 L163 D164 F165I157-G161 PolarHBondContact O-N 2.86Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.94Å; G161-D164 WeakPolarHBondContact CA-OD2 3.29Å; G161-D164 PolarHBondContact O-N 3.38Å; G161-F165 VanDerWaalsContact O-CD2 3.24Å; G161-F165 WeakPolarHBondContact O-CD2 3.27Å; G161-F165 PolarHBondContact O-N 3.39Å
162G98.1Very high98.1Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-62-36.4169.500000113.9G158 R159 N160 A166G158-G162 PolarHBondContact O-N 3.34Å; R159-G162 PolarHBondContact O-N 3.05Å; N160-G162 PolarHBondContact O-N 3.43Å; G162-A166 WeakPolarHBondContact O-CB 3.31Å; G162-A166 PolarHBondContact O-N 2.62Å
163L98.7Very high98.1Very high64 Ų6439.5 Ų39.534%0.33520%0.203SC..Hα-helixtrans-70.9-36.1173.2-69.1171.5000112R159 N160 G161 A166 G167 H188R159-L163 PolarHBondContact O-N 2.99Å; N160-L163 CarbonylContact O-C 3.43Å; N160-L163 WeakPolarHBondContact O-CA 3.45Å; N160-L163 VanDerWaalsContact O-CB 3.3Å; N160-L163 WeakPolarHBondContact O-CB 3.26Å; N160-L163 PolarHBondContact O-N 3.07Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.94Å; L163-A166 WeakPolarHBondContact O-CB 3.39Å; L163-A166 PolarHBondContact O-N 3.08Å; L163-G167 PolarHBondContact O-N 3.35Å; L163-H188 WeakPolarHBondContact CD2-O 3.28Å
164D98.8Very high98.1Very high51 Ų5140.5 Ų40.527%0.27321%0.208SC..Hα-helixtrans-65.1-45.2177.3-60.2-39.6000110.6A138 N160 G161 A166 G167 M168A138-D164 HydrophobicContact CB-CB 3.85Å; N160-D164 VanDerWaalsContact O-CG 3.29Å; N160-D164 PolarHBondContact O-N 3.35Å; N160-D164 VanDerWaalsContact O-OD2 3.08Å; G161-D164 WeakPolarHBondContact CA-OD2 3.29Å; G161-D164 PolarHBondContact O-N 3.38Å; D164-A166 VanDerWaalsContact C-N 3.32Å; D164-A166 PolarHBondContact O-N 2.76Å; D164-G167 PolarHBondContact O-N 2.81Å; D164-G167 VanDerWaalsContact O-N 3.16Å; D164-M168 WeakPolarHBondContact O-CB 3.28Å; D164-M168 PolarHBondContact O-N 2.84Å
165F98.8Very high98.1Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-63.2-36.7171.8-80.4-64.8000112.7A134 L137 A138 L141 L150 L152 I157 G161 M168 L169 L178 L180 L193A134-F165 HydrophobicContact CB-CE2 3.9Å; L137-F165 HydrophobicContact CB-CZ 4.35Å; A138-F165 HydrophobicContact CB-CD1 3.97Å; A138-F165 HydrophobicContact CB-CE1 4.01Å; A138-F165 HydrophobicContact CB-CG 4.27Å; A138-F165 HydrophobicContact CB-CZ 4.34Å; L141-F165 HydrophobicContact CD1-CE1 4.42Å; L150-F165 HydrophobicContact CD2-CE1 3.6Å; L150-F165 HydrophobicContact CD2-CZ 3.96Å; L152-F165 HydrophobicContact CD1-CE1 4.13Å; L152-F165 HydrophobicContact CD1-CE2 3.7Å; L152-F165 HydrophobicContact CD1-CZ 3.27Å; I157-F165 HydrophobicContact CD1-CE2 4.18Å; G161-F165 VanDerWaalsContact O-CD2 3.24Å; G161-F165 WeakPolarHBondContact O-CD2 3.27Å; G161-F165 PolarHBondContact O-N 3.39Å; F165-M168 HydrophobicContact CD1-CE 3.72Å; F165-M168 HydrophobicContact CE1-CE 4.37Å; F165-M168 PolarHBondContact O-N 3.49Å; F165-L169 WeakPolarHBondContact O-CG 3.15Å; F165-L169 PolarHBondContact O-N 3.43Å; F165-L178 HydrophobicContact CB-CD2 4.38Å; F165-L178 HydrophobicContact CD1-CD1 4.15Å; F165-L178 HydrophobicContact CD1-CD2 4.34Å; F165-L178 HydrophobicContact CE1-CD1 4.29Å; F165-L180 HydrophobicContact CB-CD1 4.17Å; F165-L180 HydrophobicContact CD2-CD1 4.15Å; F165-L180 HydrophobicContact CD2-CD2 3.84Å; F165-L180 HydrophobicContact CE2-CD2 3.91Å; F165-L180 HydrophobicContact CG-CD1 4.22Å; F165-L180 HydrophobicContact CG-CD2 4.43Å; F165-L193 HydrophobicContact CB-CD2 4.23Å
166A98.7Very high98.1Very high5 Ų542.2 Ų42.24%0.04121%0.211CC..Hα-helixtrans-62.6-42.9172.200000112G162 L163 D164 L169 R170 G192 L193 A196G162-A166 WeakPolarHBondContact O-CB 3.31Å; G162-A166 PolarHBondContact O-N 2.62Å; L163-A166 WeakPolarHBondContact O-CB 3.39Å; L163-A166 PolarHBondContact O-N 3.08Å; D164-A166 VanDerWaalsContact C-N 3.32Å; D164-A166 PolarHBondContact O-N 2.76Å; A166-L169 PolarHBondContact O-N 2.84Å; A166-R170 WeakPolarHBondContact O-CG 3.22Å; A166-R170 PolarHBondContact O-N 2.92Å; A166-G192 WeakPolarHBondContact CB-O 3.23Å; A166-L193 HydrophobicContact CB-CD2 4.22Å; A166-L193 HydrophobicContact CB-CG 4.38Å; A166-A196 HydrophobicContact CB-CB 4.34Å; A166-A196 VanDerWaalsContact O-CB 3.26Å; A166-A196 WeakPolarHBondContact O-CB 3Å
167G98.6Very high98.2Very high30 Ų3035.6 Ų35.631%0.30918%0.182SC..Hα-helixtrans-59.3-46.5174.100000111.7L163 D164 R170L163-G167 PolarHBondContact O-N 3.35Å; D164-G167 PolarHBondContact O-N 2.81Å; D164-G167 VanDerWaalsContact O-N 3.16Å; G167-R170 WeakPolarHBondContact O-CB 3.38Å; G167-R170 PolarHBondContact O-N 3.15Å
168M98.6Very high98.2Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-57.7-48.9175.3-179.6-76.9-68.800111.7A138 L141 Q142 D164 F165 R170 V171 N172 L175A138-M168 HydrophobicContact CB-CB 4.17Å; A138-M168 VanDerWaalsContact O-CG 3.24Å; A138-M168 WeakPolarHBondContact O-CG 3.08Å; L141-M168 HydrophobicContact CB-CG 3.68Å; L141-M168 HydrophobicContact CB-SD 4.06Å; L141-M168 HydrophobicContact CD1-CE 4.44Å; Q142-M168 HydrophobicContact CG-CB 4.45Å; Q142-M168 HydrophobicContact CG-CG 4.43Å; D164-M168 WeakPolarHBondContact O-CB 3.28Å; D164-M168 PolarHBondContact O-N 2.84Å; F165-M168 HydrophobicContact CD1-CE 3.72Å; F165-M168 HydrophobicContact CE1-CE 4.37Å; F165-M168 PolarHBondContact O-N 3.49Å; M168-R170 PolarHBondContact O-N 2.67Å; M168-R170 VanDerWaalsContact O-N 3.1Å; M168-V171 PolarHBondContact O-N 2.87Å; M168-N172 HydrophobicContact CG-CB 4.24Å; M168-N172 WeakPolarHBondContact O-CB 3.4Å; M168-N172 PolarHBondContact O-N 3.46Å; M168-N172 HydrophobicContact SD-CB 3.37Å; M168-N172 WeakPolarHBondContact SD-CB 3.16Å; M168-L175 HydrophobicContact CE-CD2 3.85Å
169L98.6Very high98.3Very high0 Ų035.2 Ų35.20%018%0.177CC..Hα-helixtrans-63.7-17.6179.9-73.4177.1000114.2F165 A166 V171 L178 L193 A196 L197 N200 L203F165-L169 WeakPolarHBondContact O-CG 3.15Å; F165-L169 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 2.84Å; L169-V171 VanDerWaalsContact C-N 3.31Å; L169-L178 HydrophobicContact CD1-CD2 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.42Å; L169-L178 HydrophobicContact CG-CD2 4.33Å; L169-L193 HydrophobicContact CD1-CD2 3.97Å; L169-A196 HydrophobicContact CB-CB 3.94Å; L169-L197 HydrophobicContact CD1-CD2 4.28Å; L169-N200 PolarHBondContact O-ND2 3.27Å; L169-L203 HydrophobicContact CD1-CD2 4.26Å; L169-L203 HydrophobicContact CD2-CD1 4.12Å; L169-L203 HydrophobicContact CD2-CD2 4.22Å
170R98.2Very high98.4Very high161 Ų16131 Ų3161%0.60816%0.162SC*.THydrogen-bonded Turntrans-76.4-21.4173-65.9176.376.9-95.1-2.6112.8A166 G167 M168 A196A166-R170 WeakPolarHBondContact O-CG 3.22Å; A166-R170 PolarHBondContact O-N 2.92Å; G167-R170 WeakPolarHBondContact O-CB 3.38Å; G167-R170 PolarHBondContact O-N 3.15Å; M168-R170 PolarHBondContact O-N 2.67Å; M168-R170 VanDerWaalsContact O-N 3.1Å; R170-A196 HydrophobicContact CG-CB 3.8Å
171V98.1Very high98.4Very high79 Ų7927.2 Ų27.248%0.47914%0.142SC..THydrogen-bonded Turntrans-110.6-49.7-175.1-178.30000110.6Q142 M168 L169 M173Q142-V171 HydrophobicContact CB-CG1 4.49Å; M168-V171 PolarHBondContact O-N 2.87Å; L169-V171 VanDerWaalsContact C-N 3.31Å; V171-M173 PolarHBondContact O-N 2.92Å
172N98.3Very high98.4Very high4 Ų430.4 Ų30.42%0.02116%0.157CC..  trans-69.4120.1179.9-173.9-78.9000110.5L141 N144 M168 T174 L175 N200L141-N172 PolarHBondContact O-ND2 2.81Å; N144-N172 PolarHBondContact O-ND2 3.17Å; M168-N172 HydrophobicContact CG-CB 4.24Å; M168-N172 WeakPolarHBondContact O-CB 3.4Å; M168-N172 PolarHBondContact O-N 3.46Å; M168-N172 HydrophobicContact SD-CB 3.37Å; M168-N172 WeakPolarHBondContact SD-CB 3.16Å; N172-T174 PolarHBondContact OD1-N 2.88Å; N172-L175 WeakPolarHBondContact OD1-CB 3.46Å; N172-L175 PolarHBondContact OD1-N 3.29Å; N172-N200 PolarHBondContact O-ND2 3.43Å
173M97.5Very high98.4Very high85 Ų8530.5 Ų30.542%0.41916%0.157SC..  trans-117.942.8175.5-62.1-67.3-175.700109.5V171 T202V171-M173 PolarHBondContact O-N 2.92Å; M173-T202 HydrophobicContact CB-CG2 4.02Å; M173-T202 WeakPolarHBondContact O-CG2 3.41Å
174T98.1Very high98.3Very high33 Ų3329.6 Ų29.620%0.20215%0.153CC..  trans-127.5-46180-63.40000111.1S145 L148 N172 Q176S145-T174 WeakPolarHBondContact O-CG2 3.4Å; L148-T174 HydrophobicContact CD2-CG2 4.04Å; N172-T174 PolarHBondContact OD1-N 2.88Å; T174-Q176 WeakPolarHBondContact O-CG 3.22Å; T174-Q176 PolarHBondContact O-N 3.1Å
175L98.5Very high98.2Very high1 Ų127.2 Ų27.21%0.00514%0.14CC..  trans-58.8136.4-177.4-162.272.8000110.6L147 L150 M168 N172 L178 T202 L203L147-L175 HydrophobicContact CD2-CD1 4.3Å; L147-L175 HydrophobicContact CG-CD1 4.35Å; L150-L175 HydrophobicContact CB-CD1 4.21Å; M168-L175 HydrophobicContact CE-CD2 3.85Å; N172-L175 WeakPolarHBondContact OD1-CB 3.46Å; N172-L175 PolarHBondContact OD1-N 3.29Å; L175-L178 HydrophobicContact CD2-CB 3.96Å; L175-L178 HydrophobicContact CD2-CD1 4.23Å; L175-L178 HydrophobicContact CD2-CG 4.49Å; L175-T202 CarbonylContact O-C 3.37Å; L175-T202 PolarHBondContact O-OG1 2.73Å; L175-L203 HydrophobicContact CB-CD1 4.36Å; L175-L203 HydrophobicContact CD2-CD1 4.18Å; L175-L203 HydrophobicContact CG-CD1 4.14Å; L175-L203 PolarHBondContact O-N 3.36Å
176Q98.6Very high98Very high54 Ų5431 Ų3125%0.25216%0.158SC..  trans-115.6-26.9-178-60-173.51800112.3L148 T174 R204 S205 F404L148-Q176 HydrophobicContact CD2-CG 4.37Å; L148-Q176 CarbonylContact O-C 3.45Å; L148-Q176 WeakPolarHBondContact O-CA 3.47Å; L148-Q176 PolarHBondContact O-N 3.33Å; T174-Q176 WeakPolarHBondContact O-CG 3.22Å; T174-Q176 PolarHBondContact O-N 3.1Å; Q176-R204 HydrophobicContact CB-CG 4.28Å; Q176-R204 WeakPolarHBondContact O-CA 3.23Å; Q176-R204 PolarHBondContact O-N 2.59Å; Q176-S205 PolarHBondContact O-N 3.46Å; Q176-F404 VanDerWaalsContact OE1-CE1 3.27Å
177E98.7Very high97.8Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-132.7130.7177.1176.4-170.8-170.200110.4L148 S149 L150 R151 E179 S205 H402 F405L148-E177 PolarHBondContact O-N 2.95Å; S149-E177 WeakPolarHBondContact CB-OE2 3.37Å; S149-E177 PolarHBondContact OG-OE2 2.68Å; L150-E177 PolarHBondContact N-O 2.73Å; R151-E177 IonicContact CZ-OE1 3.08Å; R151-E177 IonicContact CZ-OE2 2.81Å; R151-E177 IonicContact NE-OE1 2.75Å; R151-E177 PolarHBondContact NE-OE1 3.08Å; R151-E177 IonicContact NH2-OE1 3.49Å; R151-E177 PolarHBondContact NH2-OE1 3.48Å; R151-E177 IonicContact NH2-OE2 2.71Å; R151-E177 PolarHBondContact NH2-OE2 3.47Å; E177-E179 HydrophobicContact CG-CG 4.39Å; E177-S205 WeakPolarHBondContact CA-O 3.34Å; E177-H402 IonicContact OE1-CE1 3.76Å; E177-H402 PolarHBondContact OE1-CE1 3.34Å; E177-H402 IonicContact OE1-NE2 3.89Å; E177-F405 HydrophobicContact CB-CE2 3.69Å; E177-F405 HydrophobicContact CB-CZ 3.62Å; E177-F405 VanDerWaalsContact CD-CE2 3.45Å; E177-F405 HydrophobicContact CG-CE2 3.93Å; E177-F405 HydrophobicContact CG-CZ 4.3Å; E177-F405 WeakPolarHBondContact OE2-CE2 3.47Å; E177-F405 VanDerWaalsContact OE2-CZ 3.25Å; E177-F405 WeakPolarHBondContact OE2-CZ 3.15Å
178L98.8Very high97.6Very high0 Ų035.2 Ų35.20%017%0.168CC..EExtended strand (participates in β ladder)trans-134.4111.7173.7179.660.8000109.6L150 F165 L169 L175 L180 L203 S205 V206 D207L150-L178 HydrophobicContact CB-CD1 4.31Å; L150-L178 HydrophobicContact CD2-CD1 3.99Å; L150-L178 HydrophobicContact CG-CD1 4.4Å; L150-L178 WeakPolarHBondContact O-CA 3.5Å; F165-L178 HydrophobicContact CB-CD2 4.38Å; F165-L178 HydrophobicContact CD1-CD1 4.15Å; F165-L178 HydrophobicContact CD1-CD2 4.34Å; F165-L178 HydrophobicContact CE1-CD1 4.29Å; L169-L178 HydrophobicContact CD1-CD2 3.94Å; L169-L178 HydrophobicContact CD2-CD2 4.42Å; L169-L178 HydrophobicContact CG-CD2 4.33Å; L175-L178 HydrophobicContact CD2-CB 3.96Å; L175-L178 HydrophobicContact CD2-CD1 4.23Å; L175-L178 HydrophobicContact CD2-CG 4.49Å; L178-L180 HydrophobicContact CD1-CD1 4.42Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD1-CG 4.08Å; L178-L180 HydrophobicContact CD2-CD1 3.9Å; L178-L180 HydrophobicContact CD2-CG 4.35Å; L178-L180 HydrophobicContact CG-CD1 4.07Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L178-L203 HydrophobicContact CB-CD1 4.01Å; L178-L203 HydrophobicContact CB-CD2 4.37Å; L178-S205 PolarHBondContact N-O 3.37Å; L178-S205 VanDerWaalsContact N-O 3.13Å; L178-V206 WeakPolarHBondContact O-CA 3.35Å; L178-D207 PolarHBondContact O-N 2.78Å
179E98.6Very high97.5Very high2 Ų235.2 Ų35.21%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-104.5114.4173.7-59-170.4-17100111.8L150 R151 L152 S153 E177 D207 K401 H402L150-E179 PolarHBondContact O-N 3.38Å; R151-E179 HydrophobicContact CB-CB 4.27Å; R151-E179 VanDerWaalsContact CD-CD 3.5Å; R151-E179 WeakPolarHBondContact CD-OE1 3.29Å; R151-E179 HydrophobicContact CG-CB 4.21Å; R151-E179 HydrophobicContact CG-CG 3.95Å; R151-E179 IonicContact NE-OE1 3.6Å; R151-E179 PolarHBondContact NE-OE1 2.96Å; L152-E179 WeakPolarHBondContact CA-O 3.12Å; L152-E179 WeakPolarHBondContact CB-O 3.45Å; L152-E179 PolarHBondContact N-O 2.84Å; S153-E179 PolarHBondContact N-O 2.91Å; S153-E179 WeakPolarHBondContact OG-CB 3.4Å; S153-E179 PolarHBondContact OG-OE2 3.29Å; E177-E179 HydrophobicContact CG-CG 4.39Å; E179-D207 HydrophobicContact CB-CB 4.2Å; E179-D207 HydrophobicContact CG-CB 4.15Å; E179-K401 IonicContact OE1-NZ 3.85Å; E179-K401 PolarHBondContact OE1-NZ 3.43Å; E179-K401 IonicContact OE2-NZ 3.22Å; E179-K401 PolarHBondContact OE2-NZ 3.4Å; E179-H402 IonicContact OE1-CE1 3.73Å; E179-H402 PolarHBondContact OE1-CE1 3.06Å; E179-H402 IonicContact OE1-NE2 2.78Å; E179-H402 PolarHBondContact OE1-NE2 2.97Å; E179-H402 VanDerWaalsContact OE1-NE2 3.11Å
180L98.5Very high97.4Very high0 Ų035.2 Ų35.20%017%0.168CC..  trans-12228.7175.8-58.8172.5000110.8L152 I157 F165 L178 C183 L185 L193 D207L152-L180 HydrophobicContact CB-CD2 4.08Å; L152-L180 HydrophobicContact CD1-CD2 4.1Å; I157-L180 HydrophobicContact CD1-CD2 3.64Å; F165-L180 HydrophobicContact CB-CD1 4.17Å; F165-L180 HydrophobicContact CD2-CD1 4.15Å; F165-L180 HydrophobicContact CD2-CD2 3.84Å; F165-L180 HydrophobicContact CE2-CD2 3.91Å; F165-L180 HydrophobicContact CG-CD1 4.22Å; F165-L180 HydrophobicContact CG-CD2 4.43Å; L178-L180 HydrophobicContact CD1-CD1 4.42Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD1-CG 4.08Å; L178-L180 HydrophobicContact CD2-CD1 3.9Å; L178-L180 HydrophobicContact CD2-CG 4.35Å; L178-L180 HydrophobicContact CG-CD1 4.07Å; L178-L180 HydrophobicContact CG-CG 3.96Å; L180-C183 HydrophobicContact CB-CB 4.39Å; L180-C183 WeakPolarHBondContact O-CB 3.45Å; L180-C183 PolarHBondContact O-N 2.78Å; L180-C183 PolarHBondContact O-SG 3.11Å; L180-L185 HydrophobicContact CB-CD1 3.89Å; L180-L185 HydrophobicContact CD1-CD1 4.45Å; L180-L193 HydrophobicContact CD1-CD1 4.06Å; L180-L193 HydrophobicContact CD1-CD2 4.29Å; L180-D207 CarbonylContact C-O 3.24Å; L180-D207 WeakPolarHBondContact CA-O 3.33Å; L180-D207 PolarHBondContact N-O 3.39Å
181G97.6Very high97.3Very high2 Ų229.6 Ų29.62%0.02115%0.15CC..THydrogen-bonded Turntrans-68.9140.3179.100000111.5S153 G154 C183 D207 S209S153-G181 CarbonylContact C-O 3.38Å; S153-G181 WeakPolarHBondContact CA-O 3.15Å; S153-G181 WeakPolarHBondContact CB-O 3.44Å; S153-G181 PolarHBondContact OG-N 3.05Å; G154-G181 PolarHBondContact N-O 3.16Å; G181-C183 PolarHBondContact O-N 2.88Å; G181-C183 PolarHBondContact O-SG 2.96Å; G181-C183 VanDerWaalsContact O-SG 3.39Å; G181-D207 PolarHBondContact N-O 3.04Å; G181-S209 CarbonylContact C-O 3.37Å; G181-S209 WeakPolarHBondContact CA-O 3.32Å
182E97.5Very high97.3Very high68 Ų6826.5 Ų26.532%0.31813%0.134SC..THydrogen-bonded Turntrans58.728.2-176.7-44.4-160.8-171.200114.1S209 R210 K241E182-S209 PolarHBondContact N-O 3.14Å; E182-R210 HydrophobicContact CB-CB 4.42Å; E182-R210 HydrophobicContact CG-CB 3.87Å; E182-R210 HydrophobicContact CG-CG 4.23Å; E182-K241 IonicContact OE1-NZ 3.7Å; E182-K241 PolarHBondContact OE1-NZ 3.39Å
183C98.2Very high97.3Very high1 Ų126.4 Ų26.41%0.00713%0.134CC..SBendtrans-96.819.7-174.6-68.80000116.5L152 N155 I157 G158 L180 G181 L185L152-C183 PolarHBondContact O-SG 3.19Å; N155-C183 CarbonylContact O-C 3.49Å; N155-C183 WeakPolarHBondContact O-CA 3.42Å; I157-C183 HydrophobicContact CB-CB 4.04Å; I157-C183 HydrophobicContact CD1-CB 3.99Å; I157-C183 HydrophobicContact CG1-CB 4.11Å; I157-C183 PolarHBondContact N-O 2.79Å; G158-C183 PolarHBondContact N-O 2.93Å; L180-C183 HydrophobicContact CB-CB 4.39Å; L180-C183 WeakPolarHBondContact O-CB 3.45Å; L180-C183 PolarHBondContact O-N 2.78Å; L180-C183 PolarHBondContact O-SG 3.11Å; G181-C183 PolarHBondContact O-N 2.88Å; G181-C183 PolarHBondContact O-SG 2.96Å; G181-C183 VanDerWaalsContact O-SG 3.39Å; C183-L185 HydrophobicContact CB-CG 4.29Å; C183-L185 PolarHBondContact O-N 3.18Å; C183-L185 VanDerWaalsContact O-N 3.12Å
184D96.6Very high97.3Very high45 Ų4522.4 Ų22.424%0.24111%0.114CC..  trans53.628.9-174.1-65.8-25.1000114G158 E186 L212G158-D184 WeakPolarHBondContact CA-O 3.48Å; D184-E186 PolarHBondContact O-N 3.16Å; D184-L212 HydrophobicContact CB-CD1 3.69Å; D184-L212 HydrophobicContact CB-CG 4.29Å
185L96.7Very high97.3Very high1 Ų123.8 Ų23.81%0.00512%0.123CC..  trans-60.4132.9177.9-64.1-178.5000110.7I157 L180 C183 M190 L193 V208 A211 L212I157-L185 HydrophobicContact CG2-CD2 4.44Å; L180-L185 HydrophobicContact CB-CD1 3.89Å; L180-L185 HydrophobicContact CD1-CD1 4.45Å; C183-L185 HydrophobicContact CB-CG 4.29Å; C183-L185 PolarHBondContact O-N 3.18Å; C183-L185 VanDerWaalsContact O-N 3.12Å; L185-M190 HydrophobicContact CB-SD 4.13Å; L185-M190 HydrophobicContact CD1-SD 3.94Å; L185-L193 HydrophobicContact CD1-CD1 4Å; L185-V208 HydrophobicContact CD1-CB 4.13Å; L185-V208 HydrophobicContact CD1-CG1 4.04Å; L185-A211 HydrophobicContact CB-CB 4.19Å; L185-A211 CarbonylContact O-C 3.56Å; L185-A211 WeakPolarHBondContact O-CA 3.26Å; L185-A211 WeakPolarHBondContact O-CB 3.24Å; L185-L212 PolarHBondContact O-N 3.16Å
186E94.8Very high97.3Very high81 Ų8123.8 Ų23.838%0.37912%0.123SC..BIsolated β-bridgetrans-103171.6174.9-66178.9-146.700111.8R159 D184 H188 G189 M190R159-E186 HydrophobicContact CB-CB 3.93Å; R159-E186 HydrophobicContact CB-CG 4.11Å; R159-E186 HydrophobicContact CG-CB 4.22Å; D184-E186 PolarHBondContact O-N 3.16Å; E186-H188 VanDerWaalsContact C-N 3.26Å; E186-H188 PolarHBondContact O-N 2.89Å; E186-H188 VanDerWaalsContact O-N 3.09Å; E186-G189 WeakPolarHBondContact O-CA 3.44Å; E186-G189 PolarHBondContact O-N 2.92Å; E186-M190 PolarHBondContact O-N 3.02Å; E186-M190 VanDerWaalsContact O-N 3.09Å
187M94.8Very high97.3Very high26 Ų2621.2 Ų21.213%0.12811%0.111CC..Hα-helixtrans-48-43.8-176.5-166.663.9-90.500113.4G189 M190 I191 L213 E219 W220M187-G189 PolarHBondContact O-N 3.4Å; M187-M190 HydrophobicContact CE-CB 3.8Å; M187-M190 WeakPolarHBondContact O-CB 3.27Å; M187-M190 PolarHBondContact O-N 3.06Å; M187-I191 HydrophobicContact CE-CD1 4.11Å; M187-I191 HydrophobicContact CE-CG1 3.78Å; M187-I191 HydrophobicContact CG-CD1 4.15Å; M187-I191 WeakPolarHBondContact O-CG1 3.44Å; M187-I191 PolarHBondContact O-N 2.99Å; M187-L213 HydrophobicContact CB-CD2 4.27Å; M187-L213 HydrophobicContact SD-CD2 4.23Å; M187-E219 HydrophobicContact SD-CB 3.94Å; M187-W220 VanDerWaalsContact CE-CA 3.47Å; M187-W220 HydrophobicContact CE-CB 3.37Å; M187-W220 HydrophobicContact SD-CB 4.04Å
188H95Very high97.3Very high96 Ų9624.7 Ų24.744%0.44413%0.126SC..Hα-helixtrans-66.5-38.8-180-65.481.5000112.9R159 L163 E186 M190 I191 G192R159-H188 HydrophobicContact CG-CB 3.96Å; R159-H188 PolarHBondContact NE-ND1 2.91Å; R159-H188 VanDerWaalsContact NE-ND1 3.14Å; R159-H188 PolarHBondContact NH2-CD2 2.88Å; R159-H188 PolarHBondContact NH2-NE2 3.49Å; L163-H188 WeakPolarHBondContact CD2-O 3.28Å; E186-H188 VanDerWaalsContact C-N 3.26Å; E186-H188 PolarHBondContact O-N 2.89Å; E186-H188 VanDerWaalsContact O-N 3.09Å; H188-M190 VanDerWaalsContact C-N 3.32Å; H188-I191 PolarHBondContact O-N 3.44Å; H188-G192 PolarHBondContact O-N 2.94Å
189G95.9Very high97.1Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-61.2-43.8173.400000110.9E186 M187 I191 G192 L193E186-G189 WeakPolarHBondContact O-CA 3.44Å; E186-G189 PolarHBondContact O-N 2.92Å; M187-G189 PolarHBondContact O-N 3.4Å; G189-I191 PolarHBondContact O-N 2.99Å; G189-G192 PolarHBondContact O-N 3.18Å; G189-L193 WeakPolarHBondContact O-CB 3.32Å; G189-L193 VanDerWaalsContact O-CG 3.32Å; G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 2.69Å
190M95.9Very high97.1Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-62.4-40.7176-60.3-56.9-6500113.2L185 E186 M187 H188 S194 V208 A211 L213 F224 M242L185-M190 HydrophobicContact CB-SD 4.13Å; L185-M190 HydrophobicContact CD1-SD 3.94Å; E186-M190 PolarHBondContact O-N 3.02Å; E186-M190 VanDerWaalsContact O-N 3.09Å; M187-M190 HydrophobicContact CE-CB 3.8Å; M187-M190 WeakPolarHBondContact O-CB 3.27Å; M187-M190 PolarHBondContact O-N 3.06Å; H188-M190 VanDerWaalsContact C-N 3.32Å; M190-S194 WeakPolarHBondContact O-CB 3.38Å; M190-S194 PolarHBondContact O-N 2.97Å; M190-S194 PolarHBondContact O-OG 3.42Å; M190-V208 HydrophobicContact CE-CB 3.65Å; M190-V208 HydrophobicContact CE-CG1 4.34Å; M190-V208 HydrophobicContact CE-CG2 3.42Å; M190-V208 VanDerWaalsContact CE-CG2 3.42Å; M190-V208 HydrophobicContact SD-CB 3.97Å; M190-V208 HydrophobicContact SD-CG1 4.44Å; M190-V208 HydrophobicContact SD-CG2 4.4Å; M190-A211 HydrophobicContact CG-CB 4.21Å; M190-A211 HydrophobicContact SD-CB 3.94Å; M190-L213 HydrophobicContact CG-CD2 4.04Å; M190-F224 HydrophobicContact CE-CE2 3.55Å; M190-F224 HydrophobicContact CE-CZ 3.85Å; M190-M242 HydrophobicContact CE-CE 3.4Å; M190-M242 VanDerWaalsContact CE-CE 3.4Å; M190-M242 HydrophobicContact SD-CE 4.31Å
191I96.3Very high97Very high44 Ų4433.9 Ų33.923%0.22618%0.178CC..Hα-helixtrans-65.5-43.1175.2-69.1166.7000110.4M187 H188 G189 S194 T195M187-I191 HydrophobicContact CE-CD1 4.11Å; M187-I191 HydrophobicContact CE-CG1 3.78Å; M187-I191 HydrophobicContact CG-CD1 4.15Å; M187-I191 WeakPolarHBondContact O-CG1 3.44Å; M187-I191 PolarHBondContact O-N 2.99Å; H188-I191 PolarHBondContact O-N 3.44Å; G189-I191 PolarHBondContact O-N 2.99Å; I191-S194 WeakPolarHBondContact CA-OG 3.25Å; I191-S194 PolarHBondContact O-OG 3.11Å; I191-T195 VanDerWaalsContact O-CB 3.24Å; I191-T195 WeakPolarHBondContact O-CB 3.49Å; I191-T195 PolarHBondContact O-N 3.21Å; I191-T195 PolarHBondContact O-OG1 2.86Å
192G98.1Very high97.1Very high14 Ų1435 Ų3514%0.14419%0.185CC..Hα-helixtrans-57.1-54.417500000111.2A166 H188 G189 T195 A196A166-G192 WeakPolarHBondContact CB-O 3.23Å; H188-G192 PolarHBondContact O-N 2.94Å; G189-G192 PolarHBondContact O-N 3.18Å; G192-T195 PolarHBondContact O-N 2.81Å; G192-A196 PolarHBondContact O-N 3.23Å
193L98.4Very high97.1Very high1 Ų131.8 Ų31.81%0.00517%0.169CC..Hα-helixtrans-59.4-52.9-178.7-71168.7000111.3F165 A166 L169 L180 L185 G189 T195 A196 L197 V208F165-L193 HydrophobicContact CB-CD2 4.23Å; A166-L193 HydrophobicContact CB-CD2 4.22Å; A166-L193 HydrophobicContact CB-CG 4.38Å; L169-L193 HydrophobicContact CD1-CD2 3.97Å; L180-L193 HydrophobicContact CD1-CD1 4.06Å; L180-L193 HydrophobicContact CD1-CD2 4.29Å; L185-L193 HydrophobicContact CD1-CD1 4Å; G189-L193 WeakPolarHBondContact O-CB 3.32Å; G189-L193 VanDerWaalsContact O-CG 3.32Å; G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 2.69Å; L193-T195 PolarHBondContact O-N 2.92Å; L193-A196 PolarHBondContact O-N 2.87Å; L193-A196 VanDerWaalsContact O-N 3.13Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.5Å; L193-V208 HydrophobicContact CD1-CG1 3.81Å
194S98Very high97.1Very high1 Ų135 Ų351%0.00718%0.181CC..Hα-helixtrans-60.2-31.3177.858.10000113.2M190 I191 H223 M227M190-S194 WeakPolarHBondContact O-CB 3.38Å; M190-S194 PolarHBondContact O-N 2.97Å; M190-S194 PolarHBondContact O-OG 3.42Å; I191-S194 WeakPolarHBondContact CA-OG 3.25Å; I191-S194 PolarHBondContact O-OG 3.11Å; S194-H223 WeakPolarHBondContact OG-CB 3.32Å; S194-M227 VanDerWaalsContact O-CG 3.26Å; S194-M227 WeakPolarHBondContact O-CG 3.47Å
195T98.4Very high97.2Very high63 Ų6332.8 Ų32.839%0.38717%0.17SC..Hα-helixtrans-72.7-43.1175-59.70000111.7I191 G192 L193 L197 K198I191-T195 VanDerWaalsContact O-CB 3.24Å; I191-T195 WeakPolarHBondContact O-CB 3.49Å; I191-T195 PolarHBondContact O-N 3.21Å; I191-T195 PolarHBondContact O-OG1 2.86Å; G192-T195 PolarHBondContact O-N 2.81Å; L193-T195 PolarHBondContact O-N 2.92Å; T195-L197 VanDerWaalsContact C-N 3.35Å; T195-K198 WeakPolarHBondContact O-CB 3.47Å; T195-K198 PolarHBondContact O-N 3.5Å
196A98.5Very high97.3Very high1 Ų132.8 Ų32.81%0.00817%0.17CC..Hα-helixtrans-62.8-42.2176.900000111.7A166 L169 R170 G192 L193 K198 N199 N200A166-A196 HydrophobicContact CB-CB 4.34Å; A166-A196 VanDerWaalsContact O-CB 3.26Å; A166-A196 WeakPolarHBondContact O-CB 3Å; L169-A196 HydrophobicContact CB-CB 3.94Å; R170-A196 HydrophobicContact CG-CB 3.8Å; G192-A196 PolarHBondContact O-N 3.23Å; L193-A196 PolarHBondContact O-N 2.87Å; L193-A196 VanDerWaalsContact O-N 3.13Å; A196-K198 PolarHBondContact O-N 2.71Å; A196-K198 VanDerWaalsContact O-N 3.13Å; A196-N199 PolarHBondContact O-N 2.65Å; A196-N199 VanDerWaalsContact O-N 3.1Å; A196-N200 PolarHBondContact O-N 2.79Å; A196-N200 VanDerWaalsContact O-N 3.12Å
197L98.5Very high97.5Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-61.8-20.3179.3-70.6172.5000114L169 L193 T195 N199 L203 V206 M227 N231L169-L197 HydrophobicContact CD1-CD2 4.28Å; L193-L197 WeakPolarHBondContact O-CB 3.34Å; L193-L197 VanDerWaalsContact O-CG 3.23Å; L193-L197 WeakPolarHBondContact O-CG 3.49Å; L193-L197 PolarHBondContact O-N 3.5Å; T195-L197 VanDerWaalsContact C-N 3.35Å; L197-N199 PolarHBondContact O-N 3.25Å; L197-L203 HydrophobicContact CD2-CB 4.38Å; L197-L203 HydrophobicContact CD2-CD2 3.52Å; L197-V206 HydrophobicContact CD1-CG1 4.2Å; L197-M227 HydrophobicContact CB-CE 4.42Å; L197-M227 HydrophobicContact CB-CG 3.82Å; L197-M227 HydrophobicContact CB-SD 4Å; L197-M227 HydrophobicContact CD1-CE 4.11Å; L197-N231 PolarHBondContact O-ND2 3.24Å
198K97.9Very high97.6Very high72 Ų7228 Ų2831%0.31315%0.147SC..THydrogen-bonded Turntrans-61-32.1174.2-66.7-175.8176.3-179.30112.8T195 A196 M227 V230T195-K198 WeakPolarHBondContact O-CB 3.47Å; T195-K198 PolarHBondContact O-N 3.5Å; A196-K198 PolarHBondContact O-N 2.71Å; A196-K198 VanDerWaalsContact O-N 3.13Å; K198-M227 HydrophobicContact CG-CB 4.14Å; K198-M227 HydrophobicContact CG-CG 3.98Å; K198-V230 HydrophobicContact CB-CG2 3.87Å; K198-V230 HydrophobicContact CD-CG2 4.15Å; K198-V230 HydrophobicContact CG-CG2 3.69Å
199N95.4Very high97.8Very high115 Ų11523.7 Ų23.762%0.61513%0.128SC*.THydrogen-bonded Turntrans-112.8-16-174.8-59.6-44.2000113.2A196 L197 T201A196-N199 PolarHBondContact O-N 2.65Å; A196-N199 VanDerWaalsContact O-N 3.1Å; L197-N199 PolarHBondContact O-N 3.25Å; N199-T201 PolarHBondContact O-N 2.85Å
200N98.3Very high97.8Very high2 Ų228.4 Ų28.41%0.01115%0.146CC..  trans-72.5120.7177-172.5-72.1000110.6L169 N172 A196 T202 L203 S233L169-N200 PolarHBondContact O-ND2 3.27Å; N172-N200 PolarHBondContact O-ND2 3.43Å; A196-N200 PolarHBondContact O-N 2.79Å; A196-N200 VanDerWaalsContact O-N 3.12Å; N200-T202 PolarHBondContact OD1-N 3.48Å; N200-T202 VanDerWaalsContact OD1-N 3.11Å; N200-T202 PolarHBondContact OD1-OG1 3.03Å; N200-L203 WeakPolarHBondContact OD1-CB 3.42Å; N200-L203 PolarHBondContact OD1-N 2.83Å; N200-S233 PolarHBondContact O-OG 2.85Å
201T97.3Very high97.7Very high78 Ų7829 Ų2948%0.47915%0.15SC..SBendtrans-104.1-1.8-174.756.10000113.9N199 R204 S233N199-T201 PolarHBondContact O-N 2.85Å; T201-R204 PolarHBondContact O-NH1 3.38Å; T201-S233 WeakPolarHBondContact O-CB 3.34Å
202T97.9Very high97.6Very high26 Ų2629.3 Ų29.316%0.1615%0.152CC..SBendtrans-104.7-34.4-176.861.80000113.7M173 L175 N200 R204M173-T202 HydrophobicContact CB-CG2 4.02Å; M173-T202 WeakPolarHBondContact O-CG2 3.41Å; L175-T202 CarbonylContact O-C 3.37Å; L175-T202 PolarHBondContact O-OG1 2.73Å; N200-T202 PolarHBondContact OD1-N 3.48Å; N200-T202 VanDerWaalsContact OD1-N 3.11Å; N200-T202 PolarHBondContact OD1-OG1 3.03Å; T202-R204 WeakPolarHBondContact O-CG 3.35Å; T202-R204 PolarHBondContact O-N 3.07Å
203L98.4Very high97.1Very high0 Ų030.2 Ų30.20%015%0.154CC..  trans-62.9126.1-178.8-154.376.9000110.2L169 L175 L178 L197 N200 V206 S233L169-L203 HydrophobicContact CD1-CD2 4.26Å; L169-L203 HydrophobicContact CD2-CD1 4.12Å; L169-L203 HydrophobicContact CD2-CD2 4.22Å; L175-L203 HydrophobicContact CB-CD1 4.36Å; L175-L203 HydrophobicContact CD2-CD1 4.18Å; L175-L203 HydrophobicContact CG-CD1 4.14Å; L175-L203 PolarHBondContact O-N 3.36Å; L178-L203 HydrophobicContact CB-CD1 4.01Å; L178-L203 HydrophobicContact CB-CD2 4.37Å; L197-L203 HydrophobicContact CD2-CB 4.38Å; L197-L203 HydrophobicContact CD2-CD2 3.52Å; N200-L203 WeakPolarHBondContact OD1-CB 3.42Å; N200-L203 PolarHBondContact OD1-N 2.83Å; L203-V206 HydrophobicContact CD2-CB 3.88Å; L203-V206 HydrophobicContact CD2-CG2 4.09Å; L203-S233 CarbonylContact O-C 3.35Å; L203-S233 WeakPolarHBondContact O-CB 3.26Å; L203-S233 PolarHBondContact O-OG 3.06Å
204R98.4Very high96.1Very high68 Ų6839.5 Ų39.526%0.25719%0.194SC..  trans-107.6-33.9-178.1-60.2-58.1-174.6-123.7-5.7111.9Q176 T201 T202 S233 V235 E236 F404Q176-R204 HydrophobicContact CB-CG 4.28Å; Q176-R204 WeakPolarHBondContact O-CA 3.23Å; Q176-R204 PolarHBondContact O-N 2.59Å; T201-R204 PolarHBondContact O-NH1 3.38Å; T202-R204 WeakPolarHBondContact O-CG 3.35Å; T202-R204 PolarHBondContact O-N 3.07Å; R204-S233 WeakPolarHBondContact CD-O 3.41Å; R204-S233 VanDerWaalsContact NH1-CA 3.33Å; R204-S233 PolarHBondContact NH1-O 2.8Å; R204-V235 WeakPolarHBondContact O-CA 3.48Å; R204-V235 PolarHBondContact O-N 3.31Å; R204-E236 PolarHBondContact O-N 3.31Å; R204-F404 HydrophobicContact CB-CD1 4.24Å; R204-F404 HydrophobicContact CB-CD2 4.11Å; R204-F404 HydrophobicContact CB-CE1 4.36Å; R204-F404 HydrophobicContact CB-CE2 4.24Å; R204-F404 HydrophobicContact CB-CG 4.12Å; R204-F404 HydrophobicContact CB-CZ 4.36Å; R204-F404 HydrophobicContact CG-CD1 4.48Å; R204-F404 HydrophobicContact CG-CD2 4.12Å; R204-F404 HydrophobicContact CG-CE1 4.12Å; R204-F404 HydrophobicContact CG-CE2 3.73Å; R204-F404 HydrophobicContact CG-CG 4.48Å; R204-F404 HydrophobicContact CG-CZ 3.74Å
205S98.6Very high95.2Very high0 Ų041.5 Ų41.50%021%0.209CC..EExtended strand (participates in β ladder)trans-132133.8179.6-173.40000110.5Q176 E177 L178 E236Q176-S205 PolarHBondContact O-N 3.46Å; E177-S205 WeakPolarHBondContact CA-O 3.34Å; L178-S205 PolarHBondContact N-O 3.37Å; L178-S205 VanDerWaalsContact N-O 3.13Å; S205-E236 VanDerWaalsContact CB-OE2 3.25Å; S205-E236 WeakPolarHBondContact CB-OE2 3.4Å; S205-E236 PolarHBondContact OG-OE2 3.42Å
206V98.4Very high94Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-136127.1173.273.10000110.4L178 L197 L203 V208 L234 E236 L237 H238L178-V206 WeakPolarHBondContact O-CA 3.35Å; L197-V206 HydrophobicContact CD1-CG1 4.2Å; L203-V206 HydrophobicContact CD2-CB 3.88Å; L203-V206 HydrophobicContact CD2-CG2 4.09Å; V206-V208 HydrophobicContact CG2-CG1 4.09Å; V206-L234 HydrophobicContact CB-CD1 4.16Å; V206-L234 HydrophobicContact CG1-CD1 3.82Å; V206-L234 HydrophobicContact CG1-CD2 3.92Å; V206-E236 PolarHBondContact N-O 3.17Å; V206-L237 HydrophobicContact CG1-CD1 3.69Å; V206-H238 PolarHBondContact O-N 3.27Å
207D98.6Very high93Very high6 Ų653.2 Ų53.23%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-111.8120.5170.3-170.5-6.8000110.2L178 E179 L180 G181 S209 H238L178-D207 PolarHBondContact O-N 2.78Å; E179-D207 HydrophobicContact CB-CB 4.2Å; E179-D207 HydrophobicContact CG-CB 4.15Å; L180-D207 CarbonylContact C-O 3.24Å; L180-D207 WeakPolarHBondContact CA-O 3.33Å; L180-D207 PolarHBondContact N-O 3.39Å; G181-D207 PolarHBondContact N-O 3.04Å; D207-S209 WeakPolarHBondContact OD1-CB 3.46Å; D207-S209 PolarHBondContact OD1-N 2.72Å; D207-S209 PolarHBondContact OD1-OG 2.82Å; D207-H238 HydrophobicContact CB-CB 3.87Å; D207-H238 WeakPolarHBondContact OD1-CB 3.38Å
208V98.2Very high92.4Very high0 Ų053.9 Ų53.90%027%0.27CS..  trans-128.521.8177-680000110.9L185 M190 L193 V206 F224 H238 L239L185-V208 HydrophobicContact CD1-CB 4.13Å; L185-V208 HydrophobicContact CD1-CG1 4.04Å; M190-V208 HydrophobicContact CE-CB 3.65Å; M190-V208 HydrophobicContact CE-CG1 4.34Å; M190-V208 HydrophobicContact CE-CG2 3.42Å; M190-V208 VanDerWaalsContact CE-CG2 3.42Å; M190-V208 HydrophobicContact SD-CB 3.97Å; M190-V208 HydrophobicContact SD-CG1 4.44Å; M190-V208 HydrophobicContact SD-CG2 4.4Å; L193-V208 HydrophobicContact CD1-CG1 3.81Å; V206-V208 HydrophobicContact CG2-CG1 4.09Å; V208-F224 HydrophobicContact CG2-CZ 4Å; V208-H238 PolarHBondContact N-O 2.69Å; V208-L239 HydrophobicContact CG2-CD2 3.76Å
209S97.6Very high92.1Very high6 Ų654.3 Ų54.34%0.04227%0.273CS..THydrogen-bonded Turntrans-56.7151-177.1-61.10000111.8G181 E182 D207 A211 G240G181-S209 CarbonylContact C-O 3.37Å; G181-S209 WeakPolarHBondContact CA-O 3.32Å; E182-S209 PolarHBondContact N-O 3.14Å; D207-S209 WeakPolarHBondContact OD1-CB 3.46Å; D207-S209 PolarHBondContact OD1-N 2.72Å; D207-S209 PolarHBondContact OD1-OG 2.82Å; S209-A211 PolarHBondContact O-N 3.48Å; S209-G240 CarbonylContact C-O 3.59Å; S209-G240 WeakPolarHBondContact CA-O 3.49Å; S209-G240 WeakPolarHBondContact CB-O 3.32Å; S209-G240 PolarHBondContact OG-N 3.33Å; S209-G240 VanDerWaalsContact OG-N 3.08Å
210R96.6Very high92.1Very high99 Ų9949 Ų4937%0.37425%0.245SC..THydrogen-bonded Turntrans60.739.1176.7-165.6-105.1143.793.21114.2E182 G240 K241E182-R210 HydrophobicContact CB-CB 4.42Å; E182-R210 HydrophobicContact CG-CB 3.87Å; E182-R210 HydrophobicContact CG-CG 4.23Å; R210-G240 PolarHBondContact N-O 3.14Å; R210-K241 WeakPolarHBondContact CA-O 3.45Å; R210-K241 HydrophobicContact CB-CB 3.9Å; R210-K241 HydrophobicContact CB-CD 4.13Å; R210-K241 HydrophobicContact CG-CB 4.28Å; R210-K241 HydrophobicContact CG-CD 4.23Å
211A94.6Very high92Very high12 Ų1249 Ų4910%0.09924%0.244CC..  trans-63.5148169.200000112.2L185 M190 S209 L213 M242L185-A211 HydrophobicContact CB-CB 4.19Å; L185-A211 CarbonylContact O-C 3.56Å; L185-A211 WeakPolarHBondContact O-CA 3.26Å; L185-A211 WeakPolarHBondContact O-CB 3.24Å; M190-A211 HydrophobicContact CG-CB 4.21Å; M190-A211 HydrophobicContact SD-CB 3.94Å; S209-A211 PolarHBondContact O-N 3.48Å; A211-L213 HydrophobicContact CB-CD1 4.01Å; A211-L213 HydrophobicContact CB-CD2 3.87Å; A211-L213 HydrophobicContact CB-CG 3.7Å; A211-L213 PolarHBondContact O-N 2.74Å; A211-L213 VanDerWaalsContact O-N 3.15Å; A211-M242 HydrophobicContact CB-CE 3.66Å; A211-M242 HydrophobicContact CB-SD 3.73Å; A211-M242 PolarHBondContact N-SD 3.4Å
212L92.8Very high91.9Very high51 Ų5147.3 Ų47.327%0.26723%0.234SC..BIsolated β-bridgetrans-8480.2174.6-61-178.6000110.2D184 L185 F214D184-L212 HydrophobicContact CB-CD1 3.69Å; D184-L212 HydrophobicContact CB-CG 4.29Å; L185-L212 PolarHBondContact O-N 3.16Å; L212-F214 HydrophobicContact CB-CE2 4.34Å
213L87.9Confident91.9Very high34 Ų3448.6 Ų48.618%0.17824%0.238CC..  trans-102.2110-174.9-54.7-178.6000110.9M187 M190 A211 S215 W220 M242M187-L213 HydrophobicContact CB-CD2 4.27Å; M187-L213 HydrophobicContact SD-CD2 4.23Å; M190-L213 HydrophobicContact CG-CD2 4.04Å; A211-L213 HydrophobicContact CB-CD1 4.01Å; A211-L213 HydrophobicContact CB-CD2 3.87Å; A211-L213 HydrophobicContact CB-CG 3.7Å; A211-L213 PolarHBondContact O-N 2.74Å; A211-L213 VanDerWaalsContact O-N 3.15Å; L213-S215 PolarHBondContact O-N 2.76Å; L213-W220 HydrophobicContact CD1-CB 4.04Å; L213-W220 HydrophobicContact CD1-CD2 4.16Å; L213-W220 HydrophobicContact CD1-CG 3.56Å; L213-M242 HydrophobicContact CD1-CE 3.72Å
214F78.8Confident91.9Very high195 Ų19548.6 Ų48.686%0.85524%0.238SC*.  trans-99.468.8174-57.8-77.6000110.1L212L212-F214 HydrophobicContact CB-CE2 4.34Å
215S77.3Confident91.9Very high44 Ų4445.9 Ų45.931%0.30823%0.23SC..  trans-147.1136.3174.7-178.70000111.3L213 L217L213-S215 PolarHBondContact O-N 2.76Å; S215-L217 VanDerWaalsContact C-N 3.32Å; S215-L217 PolarHBondContact OG-N 2.57Å; S215-L217 VanDerWaalsContact OG-N 3.14Å
216L73.2Confident91.9Very high174 Ų17451.9 Ų51.991%0.91126%0.256SS*.SBendtrans-81.6-14.1171.4-64176.7000112.5
217L78.1Confident91.9Very high136 Ų13651.9 Ų51.971%0.71226%0.256SS*.SBendtrans-93-3.7-174.6-62178.8000113.3S215 E219S215-L217 VanDerWaalsContact C-N 3.32Å; S215-L217 PolarHBondContact OG-N 2.57Å; S215-L217 VanDerWaalsContact OG-N 3.14Å; L217-E219 HydrophobicContact CB-CG 4.29Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.16Å
218E87.2Confident91.9Very high14 Ų1451.7 Ų51.77%0.06526%0.255CS..  trans50.841.5177.4-55.9-178.586.300112.7W220 A221 L244 T245 G248E218-W220 PolarHBondContact O-N 2.96Å; E218-A221 HydrophobicContact CB-CB 4.33Å; E218-A221 VanDerWaalsContact O-CB 3.3Å; E218-A221 WeakPolarHBondContact O-CB 3.22Å; E218-A221 PolarHBondContact O-N 3.02Å; E218-L244 VanDerWaalsContact OE1-CA 3.22Å; E218-L244 WeakPolarHBondContact OE1-CA 3.28Å; E218-T245 PolarHBondContact OE1-N 3.23Å; E218-T245 PolarHBondContact OE2-OG1 3.38Å; E218-G248 WeakPolarHBondContact OE2-CA 3.27Å; E218-G248 PolarHBondContact OE2-N 2.79Å
219E91.5Very high91.9Very high80 Ų8054.2 Ų54.237%0.37427%0.271SS..Hα-helixtrans-51.9-35.2-175.7-67.9171.3-158.900112.4M187 L217 A221 V222 H223M187-E219 HydrophobicContact SD-CB 3.94Å; L217-E219 HydrophobicContact CB-CG 4.29Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.16Å; E219-A221 VanDerWaalsContact C-N 3.26Å; E219-A221 PolarHBondContact O-N 3.12Å; E219-V222 WeakPolarHBondContact O-CB 3.06Å; E219-V222 PolarHBondContact O-N 3.45Å; E219-V222 VanDerWaalsContact O-N 3.07Å; E219-H223 PolarHBondContact O-CD2 3.21Å; E219-H223 PolarHBondContact O-N 3.13Å
220W94.1Very high91.9Very high5 Ų557.9 Ų57.92%0.01929%0.293CS..Hα-helixtrans-53-42.7173.671-90.2000112.3M187 L213 E218 V222 H223 F224 L239 M242 L244M187-W220 VanDerWaalsContact CE-CA 3.47Å; M187-W220 HydrophobicContact CE-CB 3.37Å; M187-W220 HydrophobicContact SD-CB 4.04Å; L213-W220 HydrophobicContact CD1-CB 4.04Å; L213-W220 HydrophobicContact CD1-CD2 4.16Å; L213-W220 HydrophobicContact CD1-CG 3.56Å; E218-W220 PolarHBondContact O-N 2.96Å; W220-V222 VanDerWaalsContact C-N 3.3Å; W220-V222 PolarHBondContact O-N 3.46Å; W220-H223 PolarHBondContact O-N 3.46Å; W220-H223 VanDerWaalsContact O-N 3.14Å; W220-F224 HydrophobicContact CE3-CD2 4.32Å; W220-F224 WeakPolarHBondContact O-CD2 3.39Å; W220-F224 PolarHBondContact O-N 2.8Å; W220-L239 HydrophobicContact CZ3-CB 4.48Å; W220-L239 HydrophobicContact CZ3-CD1 4.06Å; W220-L239 HydrophobicContact CZ3-CD2 3.95Å; W220-L239 HydrophobicContact CZ3-CG 4.39Å; W220-M242 HydrophobicContact CD2-CE 4.28Å; W220-M242 HydrophobicContact CE3-CE 4.23Å; W220-M242 HydrophobicContact CH2-CB 3.71Å; W220-M242 HydrophobicContact CH2-CG 4.28Å; W220-M242 HydrophobicContact CZ2-CB 3.56Å; W220-M242 HydrophobicContact CZ3-CB 4.48Å; W220-M242 HydrophobicContact CZ3-CE 4.5Å; W220-L244 HydrophobicContact CH2-CB 3.9Å; W220-L244 HydrophobicContact CH2-CD1 3.52Å; W220-L244 HydrophobicContact CH2-CD2 4.27Å; W220-L244 HydrophobicContact CH2-CG 4.1Å; W220-L244 HydrophobicContact CZ2-CB 3.7Å; W220-L244 HydrophobicContact CZ2-CD1 3.47Å; W220-L244 VanDerWaalsContact CZ2-CD1 3.47Å; W220-L244 HydrophobicContact CZ2-CG 4.13Å
221A96.3Very high92Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-64.8-36.7179.600000111.1E218 E219 S225 L244E218-A221 HydrophobicContact CB-CB 4.33Å; E218-A221 VanDerWaalsContact O-CB 3.3Å; E218-A221 WeakPolarHBondContact O-CB 3.22Å; E218-A221 PolarHBondContact O-N 3.02Å; E219-A221 VanDerWaalsContact C-N 3.26Å; E219-A221 PolarHBondContact O-N 3.12Å; A221-S225 WeakPolarHBondContact O-CB 3.3Å; A221-S225 PolarHBondContact O-N 2.8Å; A221-L244 HydrophobicContact CB-CD1 4.19Å
222V96.2Very high92Very high44 Ų4456 Ų5627%0.26729%0.294SS..Hα-helixtrans-64.3-42.3173.7179.50000111.1E219 W220 K226 R251E219-V222 WeakPolarHBondContact O-CB 3.06Å; E219-V222 PolarHBondContact O-N 3.45Å; E219-V222 VanDerWaalsContact O-N 3.07Å; W220-V222 VanDerWaalsContact C-N 3.3Å; W220-V222 PolarHBondContact O-N 3.46Å; V222-K226 HydrophobicContact CG1-CD 4.29Å; V222-K226 WeakPolarHBondContact O-CG 3.34Å; V222-K226 PolarHBondContact O-N 3.04Å; V222-R251 HydrophobicContact CG2-CG 4.41Å
223H97.8Very high92.2Very high52 Ų5253.7 Ų53.724%0.24128%0.282CS..Hα-helixtrans-67.2-43.6179.5-81-83.7000112.6S194 E219 W220 K226 M227S194-H223 WeakPolarHBondContact OG-CB 3.32Å; E219-H223 PolarHBondContact O-CD2 3.21Å; E219-H223 PolarHBondContact O-N 3.13Å; W220-H223 PolarHBondContact O-N 3.46Å; W220-H223 VanDerWaalsContact O-N 3.14Å; H223-K226 PolarHBondContact O-N 3.22Å; H223-M227 PolarHBondContact O-N 3.49Å; H223-M227 VanDerWaalsContact O-N 3.12Å
224F98.1Very high92.7Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-66.8-41.9173.9-84.9-96.3000111.9M190 V208 W220 K226 M227 L228 L237 L239 L252M190-F224 HydrophobicContact CE-CE2 3.55Å; M190-F224 HydrophobicContact CE-CZ 3.85Å; V208-F224 HydrophobicContact CG2-CZ 4Å; W220-F224 HydrophobicContact CE3-CD2 4.32Å; W220-F224 WeakPolarHBondContact O-CD2 3.39Å; W220-F224 PolarHBondContact O-N 2.8Å; F224-K226 VanDerWaalsContact C-N 3.27Å; F224-K226 PolarHBondContact O-N 3.14Å; F224-M227 HydrophobicContact CD1-CE 3.65Å; F224-M227 HydrophobicContact CE1-CE 4.04Å; F224-M227 WeakPolarHBondContact O-CB 3.41Å; F224-M227 PolarHBondContact O-N 3.29Å; F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 3.35Å; F224-L237 HydrophobicContact CD1-CD1 3.98Å; F224-L237 HydrophobicContact CD1-CD2 4.1Å; F224-L237 HydrophobicContact CE1-CD1 3.69Å; F224-L239 HydrophobicContact CD1-CD2 4.36Å; F224-L239 HydrophobicContact CE1-CD2 4.23Å; F224-L239 HydrophobicContact CZ-CD2 4.42Å; F224-L252 HydrophobicContact CB-CD1 4.13Å
225S98.3Very high93.7Very high11 Ų1143.9 Ų43.98%0.07724%0.239CC..Hα-helixtrans-55.2-41.4173.4178.90000112.4A221 M227 P229 R251 G255A221-S225 WeakPolarHBondContact O-CB 3.3Å; A221-S225 PolarHBondContact O-N 2.8Å; S225-M227 VanDerWaalsContact C-N 3.33Å; S225-M227 PolarHBondContact O-N 2.82Å; S225-P229 WeakPolarHBondContact O-CD 3.49Å; S225-R251 WeakPolarHBondContact CB-O 3.34Å; S225-R251 PolarHBondContact OG-O 2.98Å; S225-G255 WeakPolarHBondContact O-CA 3.44Å; S225-G255 PolarHBondContact OG-N 3.26Å
226K98.4Very high94.7Very high127 Ų12741.8 Ų41.855%0.55223%0.225SC*.Hα-helixtrans-74.5-19.4175.4-72175.7-179.8176.10114.2V222 H223 F224V222-K226 HydrophobicContact CG1-CD 4.29Å; V222-K226 WeakPolarHBondContact O-CG 3.34Å; V222-K226 PolarHBondContact O-N 3.04Å; H223-K226 PolarHBondContact O-N 3.22Å; F224-K226 VanDerWaalsContact C-N 3.27Å; F224-K226 PolarHBondContact O-N 3.14Å
227M98.4Very high95.9Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-83.6-40178.7177.1-80.2-69.200111.1S194 L197 K198 H223 F224 S225 V230 N231 L234S194-M227 VanDerWaalsContact O-CG 3.26Å; S194-M227 WeakPolarHBondContact O-CG 3.47Å; L197-M227 HydrophobicContact CB-CE 4.42Å; L197-M227 HydrophobicContact CB-CG 3.82Å; L197-M227 HydrophobicContact CB-SD 4Å; L197-M227 HydrophobicContact CD1-CE 4.11Å; K198-M227 HydrophobicContact CG-CB 4.14Å; K198-M227 HydrophobicContact CG-CG 3.98Å; H223-M227 PolarHBondContact O-N 3.49Å; H223-M227 VanDerWaalsContact O-N 3.12Å; F224-M227 HydrophobicContact CD1-CE 3.65Å; F224-M227 HydrophobicContact CE1-CE 4.04Å; F224-M227 WeakPolarHBondContact O-CB 3.41Å; F224-M227 PolarHBondContact O-N 3.29Å; S225-M227 VanDerWaalsContact C-N 3.33Å; S225-M227 PolarHBondContact O-N 2.82Å; M227-V230 WeakPolarHBondContact O-CG2 3.24Å; M227-V230 PolarHBondContact O-N 3.38Å; M227-V230 VanDerWaalsContact O-N 3.14Å; M227-N231 HydrophobicContact CG-CB 4.39Å; M227-N231 PolarHBondContact O-N 2.81Å; M227-N231 HydrophobicContact SD-CB 3.4Å; M227-N231 WeakPolarHBondContact SD-CB 3.48Å; M227-L234 HydrophobicContact CE-CD2 4.27Å
228L98.5Very high96.8Very high2 Ų227.1 Ų27.11%0.0115%0.148CC..THydrogen-bonded Turntrans-54.2-46.8-175.1-75.1167.6000114.3F224 V230 L237 L252 L256 N259 L262F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 3.35Å; L228-V230 PolarHBondContact O-N 2.9Å; L228-L237 HydrophobicContact CD2-CD2 4.02Å; L228-L252 HydrophobicContact CD1-CD1 3.7Å; L228-L256 HydrophobicContact CD1-CD2 3.7Å; L228-L256 HydrophobicContact CD1-CG 3.81Å; L228-L256 HydrophobicContact CD2-CD2 4.37Å; L228-N259 HydrophobicContact CB-CB 4.18Å; L228-N259 PolarHBondContact O-ND2 2.55Å; L228-L262 HydrophobicContact CD2-CD2 4.08Å
229P98.2Very high97.4Very high53 Ų5326.4 Ų26.434%0.34415%0.145SC..THydrogen-bonded Turntrans-65.4-24.8-178.5-21.430.2000114.2S225 L258S225-P229 WeakPolarHBondContact O-CD 3.49Å; P229-L258 HydrophobicContact CB-CB 3.83Å; P229-L258 HydrophobicContact CB-CD1 4.26Å; P229-L258 HydrophobicContact CG-CB 3.93Å; P229-L258 HydrophobicContact CG-CD1 4.03Å
230V97.9Very high97.6Very high83 Ų8322.6 Ų22.650%0.50313%0.127SC..THydrogen-bonded Turntrans-101.1-27.5-174.8-62.10000112.8K198 M227 L228 S232K198-V230 HydrophobicContact CB-CG2 3.87Å; K198-V230 HydrophobicContact CD-CG2 4.15Å; K198-V230 HydrophobicContact CG-CG2 3.69Å; M227-V230 WeakPolarHBondContact O-CG2 3.24Å; M227-V230 PolarHBondContact O-N 3.38Å; M227-V230 VanDerWaalsContact O-N 3.14Å; L228-V230 PolarHBondContact O-N 2.9Å; V230-S232 PolarHBondContact O-N 3.18Å
231N98.1Very high97.8Very high6 Ų626.6 Ų26.63%0.03214%0.144CC..  trans-70.9129175.8179-74.4000110.3L197 M227 S233 L234 N259L197-N231 PolarHBondContact O-ND2 3.24Å; M227-N231 HydrophobicContact CG-CB 4.39Å; M227-N231 PolarHBondContact O-N 2.81Å; M227-N231 HydrophobicContact SD-CB 3.4Å; M227-N231 WeakPolarHBondContact SD-CB 3.48Å; N231-S233 PolarHBondContact ND2-OG 3.09Å; N231-S233 PolarHBondContact OD1-N 3.48Å; N231-S233 PolarHBondContact OD1-OG 3.2Å; N231-L234 WeakPolarHBondContact OD1-CB 3.49Å; N231-L234 PolarHBondContact OD1-N 3.45Å; N231-N259 PolarHBondContact O-ND2 2.98Å
232S95.6Very high97.7Very high65 Ų6527 Ų2746%0.45515%0.146SC..  trans-116.96.8-176.658.70000113.7V230 R261V230-S232 PolarHBondContact O-N 3.18Å; S232-R261 PolarHBondContact O-NE 2.97Å; S232-R261 PolarHBondContact O-NH2 2.94Å; S232-R261 VanDerWaalsContact O-NH2 3.15Å
233S97.3Very high97.7Very high3 Ų326.3 Ų26.32%0.02115%0.148CC..SBendtrans-116.4-35.8-168.950.70000113.2N200 T201 L203 R204 N231N200-S233 PolarHBondContact O-OG 2.85Å; T201-S233 WeakPolarHBondContact O-CB 3.34Å; L203-S233 CarbonylContact O-C 3.35Å; L203-S233 WeakPolarHBondContact O-CB 3.26Å; L203-S233 PolarHBondContact O-OG 3.06Å; R204-S233 WeakPolarHBondContact CD-O 3.41Å; R204-S233 VanDerWaalsContact NH1-CA 3.33Å; R204-S233 PolarHBondContact NH1-O 2.8Å; N231-S233 PolarHBondContact ND2-OG 3.09Å; N231-S233 PolarHBondContact OD1-N 3.48Å; N231-S233 PolarHBondContact OD1-OG 3.2Å
234L98.1Very high97.6Very high1 Ų123.9 Ų23.91%0.00514%0.137CC..  trans-72.8127.9-172.8-162.572.2000110.6V206 M227 N231 E236 L237 R261 L262V206-L234 HydrophobicContact CB-CD1 4.16Å; V206-L234 HydrophobicContact CG1-CD1 3.82Å; V206-L234 HydrophobicContact CG1-CD2 3.92Å; M227-L234 HydrophobicContact CE-CD2 4.27Å; N231-L234 WeakPolarHBondContact OD1-CB 3.49Å; N231-L234 PolarHBondContact OD1-N 3.45Å; L234-E236 WeakPolarHBondContact CD1-O 3.4Å; L234-E236 WeakPolarHBondContact CG-O 3.36Å; L234-L237 HydrophobicContact CD2-CB 4.01Å; L234-L237 HydrophobicContact CD2-CD1 4.2Å; L234-L237 HydrophobicContact CD2-CG 4.48Å; L234-R261 CarbonylContact O-C 3.55Å; L234-L262 HydrophobicContact CD2-CD1 4.33Å; L234-L262 HydrophobicContact CG-CD1 4.32Å
235V98.3Very high97.5Very high22 Ų2225.9 Ų25.913%0.13315%0.149CC..  trans-108.1-33.6179.8178.60000110.2R204 L262 R263 Y264 L403R204-V235 WeakPolarHBondContact O-CA 3.48Å; R204-V235 PolarHBondContact O-N 3.31Å; V235-L262 WeakPolarHBondContact O-CD1 3.46Å; V235-R263 HydrophobicContact CG1-CB 4.07Å; V235-R263 HydrophobicContact CG1-CG 4.38Å; V235-R263 PolarHBondContact O-N 2.93Å; V235-Y264 PolarHBondContact O-N 2.77Å; V235-L403 HydrophobicContact CG1-CD2 4.03Å
236E98.4Very high97.5Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-127.5132.3-178.3-51.1172-17500111R204 S205 V206 L234 H238 Y264 H402 L403 F404R204-E236 PolarHBondContact O-N 3.31Å; S205-E236 VanDerWaalsContact CB-OE2 3.25Å; S205-E236 WeakPolarHBondContact CB-OE2 3.4Å; S205-E236 PolarHBondContact OG-OE2 3.42Å; V206-E236 PolarHBondContact N-O 3.17Å; L234-E236 WeakPolarHBondContact CD1-O 3.4Å; L234-E236 WeakPolarHBondContact CG-O 3.36Å; E236-H238 IonicContact OE2-NE2 3.08Å; E236-Y264 HydrophobicContact CG-CG 4.43Å; E236-H402 WeakPolarHBondContact OE1-CA 3.45Å; E236-H402 IonicContact OE2-CG 2.68Å; E236-H402 IonicContact OE2-ND1 2.73Å; E236-H402 PolarHBondContact OE2-ND1 3.49Å; E236-L403 HydrophobicContact CG-CB 4.34Å; E236-L403 WeakPolarHBondContact OE1-CA 3.47Å; E236-L403 PolarHBondContact OE1-N 2.73Å; E236-F404 WeakPolarHBondContact OE1-CB 3.14Å; E236-F404 PolarHBondContact OE1-N 3.29Å
237L98.5Very high97.4Very high0 Ų025 Ų250%015%0.153CC..EExtended strand (participates in β ladder)trans-132.7114.1178.4176.355.7000109.1V206 F224 L228 L234 L239 L262 Y264 L265 D266V206-L237 HydrophobicContact CG1-CD1 3.69Å; F224-L237 HydrophobicContact CD1-CD1 3.98Å; F224-L237 HydrophobicContact CD1-CD2 4.1Å; F224-L237 HydrophobicContact CE1-CD1 3.69Å; L228-L237 HydrophobicContact CD2-CD2 4.02Å; L234-L237 HydrophobicContact CD2-CB 4.01Å; L234-L237 HydrophobicContact CD2-CD1 4.2Å; L234-L237 HydrophobicContact CD2-CG 4.48Å; L237-L239 HydrophobicContact CD1-CD1 4.32Å; L237-L239 HydrophobicContact CD1-CD2 4.02Å; L237-L239 HydrophobicContact CD1-CG 3.99Å; L237-L239 HydrophobicContact CD2-CD1 3.79Å; L237-L239 HydrophobicContact CD2-CG 4.35Å; L237-L239 HydrophobicContact CG-CD1 3.83Å; L237-L239 HydrophobicContact CG-CD2 4.41Å; L237-L239 HydrophobicContact CG-CG 3.85Å; L237-L262 HydrophobicContact CB-CD1 3.58Å; L237-L262 HydrophobicContact CB-CD2 4.11Å; L237-L262 HydrophobicContact CB-CG 4.48Å; L237-L262 HydrophobicContact CD2-CD2 4.29Å; L237-Y264 PolarHBondContact N-O 3.14Å; L237-L265 HydrophobicContact CD2-CD1 4.49Å; L237-L265 HydrophobicContact CG-CD1 4.48Å; L237-D266 PolarHBondContact O-N 3.46Å
238H98.5Very high97.3Very high1 Ų125.1 Ų25.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-103.2115.8178.2-52.3-98.3000112.5V206 D207 V208 E236 Y264 D266 K401V206-H238 PolarHBondContact O-N 3.27Å; D207-H238 HydrophobicContact CB-CB 3.87Å; D207-H238 WeakPolarHBondContact OD1-CB 3.38Å; V208-H238 PolarHBondContact N-O 2.69Å; E236-H238 IonicContact OE2-NE2 3.08Å; H238-Y264 AromaticContact CE1-CD1 3.74Å; H238-Y264 AromaticContact CE1-CE1 3.38Å; H238-Y264 WeakPolarHBondContact CE1-CE1 3.38Å; H238-Y264 AromaticContact CE1-CZ 3.95Å; H238-Y264 AromaticContact ND1-CE1 3.75Å; H238-D266 HydrophobicContact CB-CB 3.94Å; H238-D266 WeakPolarHBondContact ND1-CB 3.47Å; H238-D266 IonicContact ND1-OD2 3.73Å; H238-K401 PolarHBondContact CE1-O 2.93Å
239L98Very high97.3Very high0 Ų025 Ų250%015%0.153CC..  trans-12835.3-175.7-61.8170.3000110.7V208 W220 F224 L237 M242 L252 L265 D266 L267 N270V208-L239 HydrophobicContact CG2-CD2 3.76Å; W220-L239 HydrophobicContact CZ3-CB 4.48Å; W220-L239 HydrophobicContact CZ3-CD1 4.06Å; W220-L239 HydrophobicContact CZ3-CD2 3.95Å; W220-L239 HydrophobicContact CZ3-CG 4.39Å; F224-L239 HydrophobicContact CD1-CD2 4.36Å; F224-L239 HydrophobicContact CE1-CD2 4.23Å; F224-L239 HydrophobicContact CZ-CD2 4.42Å; L237-L239 HydrophobicContact CD1-CD1 4.32Å; L237-L239 HydrophobicContact CD1-CD2 4.02Å; L237-L239 HydrophobicContact CD1-CG 3.99Å; L237-L239 HydrophobicContact CD2-CD1 3.79Å; L237-L239 HydrophobicContact CD2-CG 4.35Å; L237-L239 HydrophobicContact CG-CD1 3.83Å; L237-L239 HydrophobicContact CG-CD2 4.41Å; L237-L239 HydrophobicContact CG-CG 3.85Å; L239-M242 VanDerWaalsContact C-CG 3.45Å; L239-M242 HydrophobicContact CB-CG 4.19Å; L239-M242 WeakPolarHBondContact O-CG 3.42Å; L239-L252 HydrophobicContact CD1-CD1 4.48Å; L239-L252 HydrophobicContact CD1-CD2 3.95Å; L239-L265 HydrophobicContact CD1-CD1 4.37Å; L239-D266 CarbonylContact C-O 3.44Å; L239-D266 WeakPolarHBondContact CA-O 3.36Å; L239-D266 WeakPolarHBondContact CB-O 3.47Å; L239-D266 PolarHBondContact N-O 3.23Å; L239-L267 HydrophobicContact CB-CD2 4.22Å; L239-L267 HydrophobicContact CD1-CD2 4.46Å; L239-N270 PolarHBondContact O-ND2 2.75Å
240G97.3Very high97.3Very high0 Ų026 Ų260%015%0.153CC..THydrogen-bonded Turntrans-70.8149.3178.700000112.1S209 R210 M242 R268S209-G240 CarbonylContact C-O 3.59Å; S209-G240 WeakPolarHBondContact CA-O 3.49Å; S209-G240 WeakPolarHBondContact CB-O 3.32Å; S209-G240 PolarHBondContact OG-N 3.33Å; S209-G240 VanDerWaalsContact OG-N 3.08Å; R210-G240 PolarHBondContact N-O 3.14Å; G240-M242 WeakPolarHBondContact O-CG 3.46Å; G240-M242 PolarHBondContact O-N 3.15Å; G240-R268 CarbonylContact C-O 3.49Å; G240-R268 WeakPolarHBondContact CA-O 3.5Å
241K96.8Very high97.3Very high89 Ų8926.7 Ų26.739%0.38715%0.147SC..THydrogen-bonded Turntrans56.232.5175.6-56.1174-175.7173.20114E182 R210 R268 C269E182-K241 IonicContact OE1-NZ 3.7Å; E182-K241 PolarHBondContact OE1-NZ 3.39Å; R210-K241 WeakPolarHBondContact CA-O 3.45Å; R210-K241 HydrophobicContact CB-CB 3.9Å; R210-K241 HydrophobicContact CB-CD 4.13Å; R210-K241 HydrophobicContact CG-CB 4.28Å; R210-K241 HydrophobicContact CG-CD 4.23Å; K241-R268 PolarHBondContact N-O 2.78Å; K241-C269 WeakPolarHBondContact CA-O 3.47Å; K241-C269 HydrophobicContact CB-CB 4.38Å; K241-C269 HydrophobicContact CG-CB 3.47Å; K241-C269 VanDerWaalsContact CG-CB 3.47Å
242M95.6Very high97.3Very high9 Ų926.4 Ų26.44%0.04415%0.145CC..SBendtrans-92.3-4.6-177.8-63.5-63.2-78.700113.5M190 A211 L213 W220 L239 G240 L244 N270M190-M242 HydrophobicContact CE-CE 3.4Å; M190-M242 VanDerWaalsContact CE-CE 3.4Å; M190-M242 HydrophobicContact SD-CE 4.31Å; A211-M242 HydrophobicContact CB-CE 3.66Å; A211-M242 HydrophobicContact CB-SD 3.73Å; A211-M242 PolarHBondContact N-SD 3.4Å; L213-M242 HydrophobicContact CD1-CE 3.72Å; W220-M242 HydrophobicContact CD2-CE 4.28Å; W220-M242 HydrophobicContact CE3-CE 4.23Å; W220-M242 HydrophobicContact CH2-CB 3.71Å; W220-M242 HydrophobicContact CH2-CG 4.28Å; W220-M242 HydrophobicContact CZ2-CB 3.56Å; W220-M242 HydrophobicContact CZ3-CB 4.48Å; W220-M242 HydrophobicContact CZ3-CE 4.5Å; L239-M242 VanDerWaalsContact C-CG 3.45Å; L239-M242 HydrophobicContact CB-CG 4.19Å; L239-M242 WeakPolarHBondContact O-CG 3.42Å; G240-M242 WeakPolarHBondContact O-CG 3.46Å; G240-M242 PolarHBondContact O-N 3.15Å; M242-L244 VanDerWaalsContact C-N 3.28Å; M242-N270 WeakPolarHBondContact CA-OD1 3.37Å; M242-N270 PolarHBondContact N-OD1 3.39Å
243G94.9Very high97.4Very high29 Ų2923.4 Ų23.430%0.29912%0.124SC..  trans73.618.9-174.500000113.6T245 N270G243-T245 PolarHBondContact O-N 3.4Å; G243-N270 PolarHBondContact N-OD1 2.83Å
244L96.1Very high97.5Very high0 Ų027.3 Ų27.30%014%0.142CC..  trans-57.7121.3-177.6-175.469.3000111.2E218 W220 A221 M242 M249 L252 L267 N270 R271 V272E218-L244 VanDerWaalsContact OE1-CA 3.22Å; E218-L244 WeakPolarHBondContact OE1-CA 3.28Å; W220-L244 HydrophobicContact CH2-CB 3.9Å; W220-L244 HydrophobicContact CH2-CD1 3.52Å; W220-L244 HydrophobicContact CH2-CD2 4.27Å; W220-L244 HydrophobicContact CH2-CG 4.1Å; W220-L244 HydrophobicContact CZ2-CB 3.7Å; W220-L244 HydrophobicContact CZ2-CD1 3.47Å; W220-L244 VanDerWaalsContact CZ2-CD1 3.47Å; W220-L244 HydrophobicContact CZ2-CG 4.13Å; A221-L244 HydrophobicContact CB-CD1 4.19Å; M242-L244 VanDerWaalsContact C-N 3.28Å; L244-M249 HydrophobicContact CD2-CB 4.4Å; L244-M249 HydrophobicContact CD2-SD 3.83Å; L244-M249 HydrophobicContact CG-CB 4.49Å; L244-L252 HydrophobicContact CD2-CD2 4.25Å; L244-L267 HydrophobicContact CD2-CD2 3.75Å; L244-N270 HydrophobicContact CB-CB 3.86Å; L244-N270 WeakPolarHBondContact CB-OD1 3.34Å; L244-N270 PolarHBondContact N-OD1 3.45Å; L244-R271 CarbonylContact O-C 3.53Å; L244-R271 VanDerWaalsContact O-CA 3.26Å; L244-R271 WeakPolarHBondContact O-CA 3.46Å; L244-R271 WeakPolarHBondContact O-CB 3.36Å; L244-R271 PolarHBondContact O-N 3.25Å; L244-V272 HydrophobicContact CD2-CG2 4.16Å; L244-V272 HydrophobicContact CG-CG2 4.4Å; L244-V272 PolarHBondContact O-N 2.94Å
245T96.8Very high97.5Very high43 Ų4327.3 Ų27.326%0.26414%0.142SC..  trans-99.8-179.4174.684.20000111.3E218 G243 T247 G248 M249 R271E218-T245 PolarHBondContact OE1-N 3.23Å; E218-T245 PolarHBondContact OE2-OG1 3.38Å; G243-T245 PolarHBondContact O-N 3.4Å; T245-T247 VanDerWaalsContact C-N 3.28Å; T245-T247 PolarHBondContact O-N 2.64Å; T245-T247 PolarHBondContact OG1-N 3.41Å; T245-G248 PolarHBondContact O-N 3.44Å; T245-M249 WeakPolarHBondContact O-CB 3.36Å; T245-M249 PolarHBondContact O-N 2.82Å; T245-R271 HydrophobicContact CG2-CB 4.36Å
246D97.7Very high97.5Very high37 Ų3726.4 Ų26.420%0.19814%0.137CC..Hα-helixtrans-61.9-33.9178.6-58.9-37.7000112.9M249 E250 S273 D275 G276D246-M249 PolarHBondContact O-N 2.87Å; D246-E250 PolarHBondContact O-N 2.98Å; D246-S273 VanDerWaalsContact CG-OG 3.23Å; D246-S273 PolarHBondContact OD1-N 2.91Å; D246-S273 PolarHBondContact OD1-OG 3.27Å; D246-S273 VanDerWaalsContact OD2-CB 3.31Å; D246-S273 WeakPolarHBondContact OD2-CB 3.34Å; D246-S273 PolarHBondContact OD2-OG 3.27Å; D246-D275 HydrophobicContact CB-CB 4.2Å; D246-G276 VanDerWaalsContact CG-N 3.31Å; D246-G276 WeakPolarHBondContact OD1-CA 3.48Å; D246-G276 PolarHBondContact OD1-N 3.39Å
247T96.4Very high97.5Very high82 Ų8231.1 Ų31.150%0.50316%0.157SC..Hα-helixtrans-67.9-45.6176.4-57.20000111.4T245 M249 E250 R251T245-T247 VanDerWaalsContact C-N 3.28Å; T245-T247 PolarHBondContact O-N 2.64Å; T245-T247 PolarHBondContact OG1-N 3.41Å; T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 PolarHBondContact O-N 2.78Å; T247-E250 WeakPolarHBondContact O-CB 3.48Å; T247-E250 PolarHBondContact O-N 3Å; T247-R251 WeakPolarHBondContact O-CG 3.44Å; T247-R251 PolarHBondContact O-N 3.24Å; T247-R251 VanDerWaalsContact O-N 3.14Å
248G96.6Very high97.4Very high2 Ų236.2 Ų36.22%0.02118%0.184CC..Hα-helixtrans-61.4-39.3171.700000112.2E218 T245 R251 L252E218-G248 WeakPolarHBondContact OE2-CA 3.27Å; E218-G248 PolarHBondContact OE2-N 2.79Å; T245-G248 PolarHBondContact O-N 3.44Å; G248-R251 PolarHBondContact O-N 3.38Å; G248-L252 WeakPolarHBondContact O-CB 3.41Å; G248-L252 PolarHBondContact O-N 2.91Å
249M97.9Very high97.4Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-66.7-38178.3-170.265.2-123.400111.8L244 T245 D246 T247 L252 S253 L256 L267 V272 G276 L280L244-M249 HydrophobicContact CD2-CB 4.4Å; L244-M249 HydrophobicContact CD2-SD 3.83Å; L244-M249 HydrophobicContact CG-CB 4.49Å; T245-M249 WeakPolarHBondContact O-CB 3.36Å; T245-M249 PolarHBondContact O-N 2.82Å; D246-M249 PolarHBondContact O-N 2.87Å; T247-M249 VanDerWaalsContact C-N 3.3Å; T247-M249 PolarHBondContact O-N 2.78Å; M249-L252 HydrophobicContact CE-CB 4.43Å; M249-L252 HydrophobicContact CE-CD2 4.34Å; M249-L252 PolarHBondContact O-N 2.95Å; M249-S253 VanDerWaalsContact CE-OG 3.23Å; M249-S253 WeakPolarHBondContact CE-OG 3.47Å; M249-S253 VanDerWaalsContact O-CB 3.22Å; M249-S253 WeakPolarHBondContact O-CB 3.42Å; M249-S253 PolarHBondContact O-N 2.76Å; M249-S253 PolarHBondContact O-OG 3.45Å; M249-L256 HydrophobicContact CE-CD1 4Å; M249-L267 HydrophobicContact CE-CD1 4.2Å; M249-L267 HydrophobicContact SD-CD1 3.71Å; M249-V272 HydrophobicContact CG-CG1 4.45Å; M249-G276 WeakPolarHBondContact CG-O 3.25Å; M249-L280 HydrophobicContact CE-CB 4.17Å; M249-L280 HydrophobicContact CE-CD1 4.07Å
250E98.3Very high97.3Very high73 Ų7343 Ų4334%0.34122%0.216SC..Hα-helixtrans-56.2-51.5170.2174.9178.1-155.700110.5D246 T247 S253 E254 H279D246-E250 PolarHBondContact O-N 2.98Å; T247-E250 WeakPolarHBondContact O-CB 3.48Å; T247-E250 PolarHBondContact O-N 3Å; E250-S253 WeakPolarHBondContact O-CB 3.4Å; E250-S253 PolarHBondContact O-N 3.07Å; E250-E254 PolarHBondContact O-N 3.46Å; E250-E254 VanDerWaalsContact O-N 3.15Å; E250-H279 VanDerWaalsContact CB-CD2 3.42Å; E250-H279 WeakPolarHBondContact CB-CD2 3.4Å; E250-H279 VanDerWaalsContact CG-CD2 3.48Å; E250-H279 WeakPolarHBondContact CG-CD2 3.28Å; E250-H279 IonicContact OE1-NE2 3.07Å
251R97.9Very high97.3Very high99 Ų9949.9 Ų49.937%0.37424%0.241SC..Hα-helixtrans-61.6-46.4178.7-66-65.6177.6-123.3-11.4112.3V222 S225 T247 G248 S253 E254V222-R251 HydrophobicContact CG2-CG 4.41Å; S225-R251 WeakPolarHBondContact CB-O 3.34Å; S225-R251 PolarHBondContact OG-O 2.98Å; T247-R251 WeakPolarHBondContact O-CG 3.44Å; T247-R251 PolarHBondContact O-N 3.24Å; T247-R251 VanDerWaalsContact O-N 3.14Å; G248-R251 PolarHBondContact O-N 3.38Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 3.35Å; R251-E254 IonicContact CZ-OE1 3.18Å; R251-E254 IonicContact NH1-OE1 3.11Å; R251-E254 PolarHBondContact NH1-OE1 3.05Å; R251-E254 IonicContact NH1-OE2 3.16Å; R251-E254 WeakPolarHBondContact O-CB 3.43Å; R251-E254 PolarHBondContact O-N 3.32Å
252L98.3Very high97.3Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-61.6-39.1178.2-172.262.8000110.9F224 L228 L239 L244 G248 M249 E254 G255 L256 L267F224-L252 HydrophobicContact CB-CD1 4.13Å; L228-L252 HydrophobicContact CD1-CD1 3.7Å; L239-L252 HydrophobicContact CD1-CD1 4.48Å; L239-L252 HydrophobicContact CD1-CD2 3.95Å; L244-L252 HydrophobicContact CD2-CD2 4.25Å; G248-L252 WeakPolarHBondContact O-CB 3.41Å; G248-L252 PolarHBondContact O-N 2.91Å; M249-L252 HydrophobicContact CE-CB 4.43Å; M249-L252 HydrophobicContact CE-CD2 4.34Å; M249-L252 PolarHBondContact O-N 2.95Å; L252-E254 VanDerWaalsContact C-N 3.31Å; L252-E254 PolarHBondContact O-N 2.91Å; L252-G255 PolarHBondContact O-N 3.16Å; L252-G255 VanDerWaalsContact O-N 3.16Å; L252-L256 HydrophobicContact CD2-CD1 4.44Å; L252-L256 HydrophobicContact CG-CD1 4Å; L252-L256 HydrophobicContact CG-CG 4.32Å; L252-L256 WeakPolarHBondContact O-CG 3.25Å; L252-L256 PolarHBondContact O-N 2.96Å; L252-L267 HydrophobicContact CD2-CD2 4.09Å
253S98.5Very high97.5Very high1 Ų149.3 Ų49.31%0.00724%0.236CC..Hα-helixtrans-62.9-32.9177.4-62.10000113.3M249 E250 R251 G255 L256 K257M249-S253 VanDerWaalsContact CE-OG 3.23Å; M249-S253 WeakPolarHBondContact CE-OG 3.47Å; M249-S253 VanDerWaalsContact O-CB 3.22Å; M249-S253 WeakPolarHBondContact O-CB 3.42Å; M249-S253 PolarHBondContact O-N 2.76Å; M249-S253 PolarHBondContact O-OG 3.45Å; E250-S253 WeakPolarHBondContact O-CB 3.4Å; E250-S253 PolarHBondContact O-N 3.07Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 3.35Å; S253-G255 VanDerWaalsContact C-N 3.3Å; S253-G255 PolarHBondContact O-N 3.44Å; S253-L256 PolarHBondContact O-N 2.96Å; S253-K257 VanDerWaalsContact O-CG 3.28Å; S253-K257 WeakPolarHBondContact O-CG 3.48Å; S253-K257 PolarHBondContact O-N 2.92Å; S253-K257 VanDerWaalsContact O-N 3.07Å
254E98.3Very high97.6Very high85 Ų8548 Ų4840%0.39722%0.222SC..Hα-helixtrans-58.3-42.8173.4-66.9168.8-179.300111.5E250 R251 L252E250-E254 PolarHBondContact O-N 3.46Å; E250-E254 VanDerWaalsContact O-N 3.15Å; R251-E254 IonicContact CZ-OE1 3.18Å; R251-E254 IonicContact NH1-OE1 3.11Å; R251-E254 PolarHBondContact NH1-OE1 3.05Å; R251-E254 IonicContact NH1-OE2 3.16Å; R251-E254 WeakPolarHBondContact O-CB 3.43Å; R251-E254 PolarHBondContact O-N 3.32Å; L252-E254 VanDerWaalsContact C-N 3.31Å; L252-E254 PolarHBondContact O-N 2.91Å
255G98.3Very high97.8Very high1 Ų148 Ų481%0.0122%0.222CC..Hα-helixtrans-73.7-42.8176.900000113S225 L252 S253 K257 L258 N259S225-G255 WeakPolarHBondContact O-CA 3.44Å; S225-G255 PolarHBondContact OG-N 3.26Å; L252-G255 PolarHBondContact O-N 3.16Å; L252-G255 VanDerWaalsContact O-N 3.16Å; S253-G255 VanDerWaalsContact C-N 3.3Å; S253-G255 PolarHBondContact O-N 3.44Å; G255-K257 VanDerWaalsContact C-N 3.29Å; G255-K257 PolarHBondContact O-N 2.94Å; G255-L258 PolarHBondContact O-N 3.38Å; G255-L258 VanDerWaalsContact O-N 3.1Å; G255-N259 PolarHBondContact O-N 3.27Å
256L98.5Very high97.8Very high4 Ų446 Ų462%0.02121%0.21CC..Hα-helixtrans-60.3-36.6179.6-72.1168.5000112.6L228 M249 L252 S253 L258 N259 L262 L265 V283L228-L256 HydrophobicContact CD1-CD2 3.7Å; L228-L256 HydrophobicContact CD1-CG 3.81Å; L228-L256 HydrophobicContact CD2-CD2 4.37Å; M249-L256 HydrophobicContact CE-CD1 4Å; L252-L256 HydrophobicContact CD2-CD1 4.44Å; L252-L256 HydrophobicContact CG-CD1 4Å; L252-L256 HydrophobicContact CG-CG 4.32Å; L252-L256 WeakPolarHBondContact O-CG 3.25Å; L252-L256 PolarHBondContact O-N 2.96Å; S253-L256 PolarHBondContact O-N 2.96Å; L256-L258 PolarHBondContact O-N 2.91Å; L256-N259 PolarHBondContact O-N 3.42Å; L256-N259 VanDerWaalsContact O-N 3.14Å; L256-L262 HydrophobicContact CD2-CD2 3.67Å; L256-L265 HydrophobicContact CD1-CD2 3.76Å; L256-L265 HydrophobicContact CD2-CD2 4.24Å; L256-V283 HydrophobicContact CB-CG1 3.79Å; L256-V283 HydrophobicContact CB-CG2 4.16Å
257K98Very high97.9Very high99 Ų9944.2 Ų44.243%0.4320%0.2SC..THydrogen-bonded Turntrans-58.5-27.3176.1-77.8169-1741730113.8S253 G255 V283S253-K257 VanDerWaalsContact O-CG 3.28Å; S253-K257 WeakPolarHBondContact O-CG 3.48Å; S253-K257 PolarHBondContact O-N 2.92Å; S253-K257 VanDerWaalsContact O-N 3.07Å; G255-K257 VanDerWaalsContact C-N 3.29Å; G255-K257 PolarHBondContact O-N 2.94Å; K257-V283 HydrophobicContact CG-CG2 4.11Å
258L97.9Very high98Very high106 Ų10643.5 Ų43.556%0.55519%0.189SC*.THydrogen-bonded Turntrans-101.5-3-177.1-56.7177.3000112.3P229 G255 L256P229-L258 HydrophobicContact CB-CB 3.83Å; P229-L258 HydrophobicContact CB-CD1 4.26Å; P229-L258 HydrophobicContact CG-CB 3.93Å; P229-L258 HydrophobicContact CG-CD1 4.03Å; G255-L258 PolarHBondContact O-N 3.38Å; G255-L258 VanDerWaalsContact O-N 3.1Å; L256-L258 PolarHBondContact O-N 2.91Å
259N97.8Very high98Very high7 Ų745.9 Ų45.94%0.03720%0.204CC..  trans-94131.3177.6-177.3-79.6000110.5L228 N231 G255 L256 R261 L262 P289L228-N259 HydrophobicContact CB-CB 4.18Å; L228-N259 PolarHBondContact O-ND2 2.55Å; N231-N259 PolarHBondContact O-ND2 2.98Å; G255-N259 PolarHBondContact O-N 3.27Å; L256-N259 PolarHBondContact O-N 3.42Å; L256-N259 VanDerWaalsContact O-N 3.14Å; N259-R261 PolarHBondContact OD1-N 3.21Å; N259-L262 VanDerWaalsContact OD1-CB 3.23Å; N259-L262 WeakPolarHBondContact OD1-CB 3.13Å; N259-L262 PolarHBondContact OD1-N 3.13Å; N259-P289 WeakPolarHBondContact O-CD 3.21Å
260H95.8Very high98Very high138 Ų13846.4 Ų46.464%0.63921%0.207SC*.SBendtrans-118.921.6-177-55.8-55.7000112.6
261R96.6Very high98Very high143 Ų14351.6 Ų51.654%0.5422%0.223SC..SBendtrans-130.1-33.2-173.7-61.7-68-95.5174.3-7.4114.3S232 L234 N259 R263S232-R261 PolarHBondContact O-NE 2.97Å; S232-R261 PolarHBondContact O-NH2 2.94Å; S232-R261 VanDerWaalsContact O-NH2 3.15Å; L234-R261 CarbonylContact O-C 3.55Å; N259-R261 PolarHBondContact OD1-N 3.21Å; R261-R263 PolarHBondContact O-N 2.78Å
262L98Very high98Very high1 Ų146.9 Ų46.91%0.00521%0.206CC..  trans-69.2123.3-177.9-17073.1000109.8L228 L234 V235 L237 L256 N259 L265 P289 L290L228-L262 HydrophobicContact CD2-CD2 4.08Å; L234-L262 HydrophobicContact CD2-CD1 4.33Å; L234-L262 HydrophobicContact CG-CD1 4.32Å; V235-L262 WeakPolarHBondContact O-CD1 3.46Å; L237-L262 HydrophobicContact CB-CD1 3.58Å; L237-L262 HydrophobicContact CB-CD2 4.11Å; L237-L262 HydrophobicContact CB-CG 4.48Å; L237-L262 HydrophobicContact CD2-CD2 4.29Å; L256-L262 HydrophobicContact CD2-CD2 3.67Å; N259-L262 VanDerWaalsContact OD1-CB 3.23Å; N259-L262 WeakPolarHBondContact OD1-CB 3.13Å; N259-L262 PolarHBondContact OD1-N 3.13Å; L262-L265 HydrophobicContact CD2-CD1 4.34Å; L262-P289 WeakPolarHBondContact O-CG 3.35Å; L262-L290 HydrophobicContact CB-CD2 4.46Å; L262-L290 HydrophobicContact CD2-CD2 4.1Å; L262-L290 HydrophobicContact CG-CD2 4.07Å; L262-L290 WeakPolarHBondContact O-CD2 3.35Å
263R98.3Very high98Very high85 Ų8548.1 Ų48.132%0.32121%0.214SC..  trans-113.8-23.6-177.5-66170.875.6-153.3-3112.3V235 R261 E291 V292 L403V235-R263 HydrophobicContact CG1-CB 4.07Å; V235-R263 HydrophobicContact CG1-CG 4.38Å; V235-R263 PolarHBondContact O-N 2.93Å; R261-R263 PolarHBondContact O-N 2.78Å; R263-E291 IonicContact CZ-OE1 3.96Å; R263-E291 IonicContact CZ-OE2 2.72Å; R263-E291 VanDerWaalsContact NE-CD 3.34Å; R263-E291 IonicContact NE-OE1 3.84Å; R263-E291 PolarHBondContact NE-OE1 3.31Å; R263-E291 IonicContact NE-OE2 2.81Å; R263-E291 IonicContact NH2-OE1 3.9Å; R263-E291 PolarHBondContact NH2-OE1 3.29Å; R263-E291 IonicContact NH2-OE2 3.96Å; R263-E291 PolarHBondContact NH2-OE2 3.19Å; R263-E291 PolarHBondContact O-N 2.95Å; R263-V292 PolarHBondContact O-N 2.95Å; R263-L403 HydrophobicContact CB-CD2 3.27Å; R263-L403 HydrophobicContact CG-CD2 4.31Å
264Y98.7Very high98Very high2 Ų253.3 Ų53.31%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-121.9128.5178.1-168-66.2000110.4V235 E236 L237 H238 D266 V292 R400 L403V235-Y264 PolarHBondContact O-N 2.77Å; E236-Y264 HydrophobicContact CG-CG 4.43Å; L237-Y264 PolarHBondContact N-O 3.14Å; H238-Y264 AromaticContact CE1-CD1 3.74Å; H238-Y264 AromaticContact CE1-CE1 3.38Å; H238-Y264 WeakPolarHBondContact CE1-CE1 3.38Å; H238-Y264 AromaticContact CE1-CZ 3.95Å; H238-Y264 AromaticContact ND1-CE1 3.75Å; Y264-D266 HydrophobicContact CE1-CB 4.04Å; Y264-V292 WeakPolarHBondContact CA-O 3.44Å; Y264-V292 HydrophobicContact CD2-CB 3.48Å; Y264-V292 VanDerWaalsContact CD2-CB 3.48Å; Y264-V292 HydrophobicContact CD2-CG1 3.49Å; Y264-V292 VanDerWaalsContact CD2-CG1 3.49Å; Y264-V292 HydrophobicContact CD2-CG2 4Å; Y264-V292 HydrophobicContact CE2-CB 3.87Å; Y264-V292 HydrophobicContact CE2-CG1 3.3Å; Y264-V292 HydrophobicContact CE2-CG2 4.44Å; Y264-V292 HydrophobicContact CG-CB 4.03Å; Y264-V292 HydrophobicContact CG-CG1 4.22Å; Y264-R400 HydrophobicContact CE2-CG 4.47Å; Y264-R400 WeakPolarHBondContact CE2-O 3.45Å; Y264-R400 PolarHBondContact OH-O 3.2Å; Y264-L403 HydrophobicContact CD2-CB 4.28Å
265L98.6Very high98Very high0 Ų053.1 Ų53.10%024%0.236CC..EExtended strand (participates in β ladder)trans-131.3113.5176.6179.861.3000110.9L237 L239 L256 L262 L267 L280 L290 V292 I293 D294L237-L265 HydrophobicContact CD2-CD1 4.49Å; L237-L265 HydrophobicContact CG-CD1 4.48Å; L239-L265 HydrophobicContact CD1-CD1 4.37Å; L256-L265 HydrophobicContact CD1-CD2 3.76Å; L256-L265 HydrophobicContact CD2-CD2 4.24Å; L262-L265 HydrophobicContact CD2-CD1 4.34Å; L265-L267 HydrophobicContact CD1-CD2 4.11Å; L265-L267 HydrophobicContact CD1-CG 4.25Å; L265-L267 HydrophobicContact CD2-CD1 3.89Å; L265-L267 HydrophobicContact CD2-CG 4.22Å; L265-L267 HydrophobicContact CG-CD1 4.14Å; L265-L267 HydrophobicContact CG-CD2 4.31Å; L265-L267 HydrophobicContact CG-CG 3.91Å; L265-L280 HydrophobicContact CD2-CD1 4.46Å; L265-L290 HydrophobicContact CB-CD2 3.81Å; L265-L290 HydrophobicContact CD2-CD1 4.18Å; L265-V292 PolarHBondContact N-O 2.96Å; L265-I293 WeakPolarHBondContact O-CA 3.4Å; L265-D294 PolarHBondContact O-N 2.83Å
266D98.6Very high98.1Very high0 Ų053.1 Ų53.10%024%0.235CC..EExtended strand (participates in β ladder)trans-94.3118.6172-172-8.6000110.5L237 H238 L239 Y264 R268L237-D266 PolarHBondContact O-N 3.46Å; H238-D266 HydrophobicContact CB-CB 3.94Å; H238-D266 WeakPolarHBondContact ND1-CB 3.47Å; H238-D266 IonicContact ND1-OD2 3.73Å; L239-D266 CarbonylContact C-O 3.44Å; L239-D266 WeakPolarHBondContact CA-O 3.36Å; L239-D266 WeakPolarHBondContact CB-O 3.47Å; L239-D266 PolarHBondContact N-O 3.23Å; Y264-D266 HydrophobicContact CE1-CB 4.04Å; D266-R268 VanDerWaalsContact OD1-CB 3.27Å; D266-R268 WeakPolarHBondContact OD1-CB 3.23Å; D266-R268 WeakPolarHBondContact OD1-CD 3.41Å; D266-R268 WeakPolarHBondContact OD1-CG 3.3Å; D266-R268 PolarHBondContact OD1-N 3.18Å; D266-R268 IonicContact OD1-NE 2.71Å; D266-R268 IonicContact OD2-CZ 2.76Å; D266-R268 IonicContact OD2-NE 2.74Å; D266-R268 PolarHBondContact OD2-NE 3.44Å; D266-R268 IonicContact OD2-NH1 3.15Å; D266-R268 PolarHBondContact OD2-NH1 2.94Å; D266-R268 IonicContact OD2-NH2 3.89Å; D266-R268 PolarHBondContact OD2-NH2 2.97Å
267L98.5Very high98.1Very high0 Ų052.9 Ų52.90%023%0.234CC..  trans-123.420.6174.4-62.3174.4000111.5L239 L244 M249 L252 L265 N270 L280 D294 L295 N298L239-L267 HydrophobicContact CB-CD2 4.22Å; L239-L267 HydrophobicContact CD1-CD2 4.46Å; L244-L267 HydrophobicContact CD2-CD2 3.75Å; M249-L267 HydrophobicContact CE-CD1 4.2Å; M249-L267 HydrophobicContact SD-CD1 3.71Å; L252-L267 HydrophobicContact CD2-CD2 4.09Å; L265-L267 HydrophobicContact CD1-CD2 4.11Å; L265-L267 HydrophobicContact CD1-CG 4.25Å; L265-L267 HydrophobicContact CD2-CD1 3.89Å; L265-L267 HydrophobicContact CD2-CG 4.22Å; L265-L267 HydrophobicContact CG-CD1 4.14Å; L265-L267 HydrophobicContact CG-CD2 4.31Å; L265-L267 HydrophobicContact CG-CG 3.91Å; L267-N270 VanDerWaalsContact C-ND2 3.28Å; L267-N270 PolarHBondContact O-ND2 3.4Å; L267-L280 HydrophobicContact CD1-CD2 4.34Å; L267-D294 CarbonylContact C-O 3.24Å; L267-D294 WeakPolarHBondContact CA-O 3.47Å; L267-D294 PolarHBondContact N-O 3.12Å; L267-L295 HydrophobicContact CB-CD2 4.06Å; L267-L295 HydrophobicContact CD1-CD2 4.09Å; L267-N298 PolarHBondContact O-ND2 3.27Å
268R98.1Very high98.1Very high68 Ų6850.3 Ų50.326%0.25723%0.225SC..THydrogen-bonded Turntrans-61.5152.4-176.476.7-164.7171.9-144.4-10.8112.6G240 K241 D266 N270 D294 S296G240-R268 CarbonylContact C-O 3.49Å; G240-R268 WeakPolarHBondContact CA-O 3.5Å; K241-R268 PolarHBondContact N-O 2.78Å; D266-R268 VanDerWaalsContact OD1-CB 3.27Å; D266-R268 WeakPolarHBondContact OD1-CB 3.23Å; D266-R268 WeakPolarHBondContact OD1-CD 3.41Å; D266-R268 WeakPolarHBondContact OD1-CG 3.3Å; D266-R268 PolarHBondContact OD1-N 3.18Å; D266-R268 IonicContact OD1-NE 2.71Å; D266-R268 IonicContact OD2-CZ 2.76Å; D266-R268 IonicContact OD2-NE 2.74Å; D266-R268 PolarHBondContact OD2-NE 3.44Å; D266-R268 IonicContact OD2-NH1 3.15Å; D266-R268 PolarHBondContact OD2-NH1 2.94Å; D266-R268 IonicContact OD2-NH2 3.89Å; D266-R268 PolarHBondContact OD2-NH2 2.97Å; R268-N270 PolarHBondContact O-N 2.91Å; R268-D294 PolarHBondContact N-O 3.42Å; R268-S296 CarbonylContact C-O 3.4Å; R268-S296 WeakPolarHBondContact CA-O 3.44Å
269C97.7Very high98.1Very high51 Ų5147 Ų4735%0.34521%0.206SC..THydrogen-bonded Turntrans54.637.7174.8-58.30000113.3K241 S296 S297K241-C269 WeakPolarHBondContact CA-O 3.47Å; K241-C269 HydrophobicContact CB-CB 4.38Å; K241-C269 HydrophobicContact CG-CB 3.47Å; K241-C269 VanDerWaalsContact CG-CB 3.47Å; C269-S296 PolarHBondContact N-O 3.01Å; C269-S297 VanDerWaalsContact CA-O 3.29Å; C269-S297 WeakPolarHBondContact CA-O 3.3Å; C269-S297 VanDerWaalsContact SG-CB 3.59Å
270N97.9Very high98.2Very high11 Ų1146.7 Ų46.76%0.05921%0.205CC..SBendtrans-102-164.9172.5-80.1-54.9000110L239 M242 G243 L244 L267 R268 V272 N298L239-N270 PolarHBondContact O-ND2 2.75Å; M242-N270 WeakPolarHBondContact CA-OD1 3.37Å; M242-N270 PolarHBondContact N-OD1 3.39Å; G243-N270 PolarHBondContact N-OD1 2.83Å; L244-N270 HydrophobicContact CB-CB 3.86Å; L244-N270 WeakPolarHBondContact CB-OD1 3.34Å; L244-N270 PolarHBondContact N-OD1 3.45Å; L267-N270 VanDerWaalsContact C-ND2 3.28Å; L267-N270 PolarHBondContact O-ND2 3.4Å; R268-N270 PolarHBondContact O-N 2.91Å; N270-V272 HydrophobicContact CB-CG2 4.12Å; N270-N298 VanDerWaalsContact CA-OD1 3.25Å; N270-N298 WeakPolarHBondContact CA-OD1 3.28Å; N270-N298 VanDerWaalsContact CB-OD1 3.22Å; N270-N298 WeakPolarHBondContact CB-OD1 3.26Å; N270-N298 PolarHBondContact N-OD1 3.17Å; N270-N298 PolarHBondContact O-OD1 3.03Å; N270-N298 VanDerWaalsContact O-OD1 3.13Å
271R97.3Very high98.3Very high182 Ų18240.1 Ų40.169%0.68717%0.174SC*.  trans-116.834177.8-59.5176.9-177.11712.3110.5L244 T245 S273 N298L244-R271 CarbonylContact O-C 3.53Å; L244-R271 VanDerWaalsContact O-CA 3.26Å; L244-R271 WeakPolarHBondContact O-CA 3.46Å; L244-R271 WeakPolarHBondContact O-CB 3.36Å; L244-R271 PolarHBondContact O-N 3.25Å; T245-R271 HydrophobicContact CG2-CB 4.36Å; R271-S273 PolarHBondContact O-N 3.33Å; R271-N298 PolarHBondContact N-OD1 3.3Å
272V98.3Very high98.4Very high0 Ų037.9 Ų37.90%017%0.169CC..  trans-71.6121.2177.1-177.90000108.2L244 M249 N270 N298 R299 I300L244-V272 HydrophobicContact CD2-CG2 4.16Å; L244-V272 HydrophobicContact CG-CG2 4.4Å; L244-V272 PolarHBondContact O-N 2.94Å; M249-V272 HydrophobicContact CG-CG1 4.45Å; N270-V272 HydrophobicContact CB-CG2 4.12Å; V272-N298 HydrophobicContact CB-CB 4.27Å; V272-N298 WeakPolarHBondContact CB-OD1 3.1Å; V272-N298 PolarHBondContact N-OD1 3.17Å; V272-N298 WeakPolarHBondContact O-CB 3.36Å; V272-R299 CarbonylContact O-C 3.28Å; V272-R299 PolarHBondContact O-N 2.87Å; V272-I300 HydrophobicContact CG1-CG2 4.42Å
273S98.7Very high98.4Very high26 Ų2637.9 Ų37.918%0.18217%0.169CC..BIsolated β-bridgetrans-98.7-170.3175.2920000111.2D246 R271 D275 G276 A277 R299D246-S273 VanDerWaalsContact CG-OG 3.23Å; D246-S273 PolarHBondContact OD1-N 2.91Å; D246-S273 PolarHBondContact OD1-OG 3.27Å; D246-S273 VanDerWaalsContact OD2-CB 3.31Å; D246-S273 WeakPolarHBondContact OD2-CB 3.34Å; D246-S273 PolarHBondContact OD2-OG 3.27Å; R271-S273 PolarHBondContact O-N 3.33Å; S273-D275 PolarHBondContact O-N 2.88Å; S273-D275 PolarHBondContact OG-N 3.41Å; S273-G276 PolarHBondContact O-N 3.17Å; S273-A277 WeakPolarHBondContact O-CB 3.39Å; S273-A277 PolarHBondContact O-N 3.09Å; S273-R299 VanDerWaalsContact CA-O 3.28Å; S273-R299 WeakPolarHBondContact CA-O 3.36Å
274R98.6Very high98.4Very high111 Ų11134.2 Ų34.242%0.41916%0.155SC..Hα-helixtrans-53.4-34.217060.3-171.8170.1-151.63.1113.6A277 L278 I300 E301 P303R274-A277 PolarHBondContact O-N 3.31Å; R274-L278 PolarHBondContact O-N 3.44Å; R274-I300 WeakPolarHBondContact CA-O 3.28Å; R274-I300 VanDerWaalsContact CB-O 3.3Å; R274-I300 WeakPolarHBondContact CB-O 3.35Å; R274-E301 IonicContact CZ-OE2 2.89Å; R274-E301 IonicContact NH1-OE2 2.92Å; R274-E301 PolarHBondContact NH1-OE2 2.95Å; R274-E301 VanDerWaalsContact NH1-OE2 3.15Å; R274-P303 HydrophobicContact CB-CB 4.12Å
275D98.7Very high98.3Very high81 Ų8137.8 Ų37.843%0.43317%0.171SC..Hα-helixtrans-73.2-42-179-68.4-22000110.6D246 S273 A277 L278 H279D246-D275 HydrophobicContact CB-CB 4.2Å; S273-D275 PolarHBondContact O-N 2.88Å; S273-D275 PolarHBondContact OG-N 3.41Å; D275-A277 VanDerWaalsContact C-N 3.34Å; D275-A277 PolarHBondContact O-N 3.03Å; D275-L278 VanDerWaalsContact O-CB 3.32Å; D275-L278 WeakPolarHBondContact O-CB 3.34Å; D275-L278 PolarHBondContact O-N 3.24Å; D275-H279 PolarHBondContact O-N 3.48Å; D275-H279 PolarHBondContact O-ND1 2.72Å
276G98.6Very high98.1Very high0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-64.5-38.6172.100000112.3D246 M249 S273 L278 H279 L280D246-G276 VanDerWaalsContact CG-N 3.31Å; D246-G276 WeakPolarHBondContact OD1-CA 3.48Å; D246-G276 PolarHBondContact OD1-N 3.39Å; M249-G276 WeakPolarHBondContact CG-O 3.25Å; S273-G276 PolarHBondContact O-N 3.17Å; G276-L278 VanDerWaalsContact C-N 3.3Å; G276-L278 PolarHBondContact O-N 3.44Å; G276-H279 WeakPolarHBondContact O-CB 3.45Å; G276-H279 PolarHBondContact O-N 3.23Å; G276-L280 PolarHBondContact O-N 3.28Å
277A98.8Very high97.6Very high0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-61.6-36.1172.600000112.4S273 R274 D275 H279 L280 S281 I300S273-A277 WeakPolarHBondContact O-CB 3.39Å; S273-A277 PolarHBondContact O-N 3.09Å; R274-A277 PolarHBondContact O-N 3.31Å; D275-A277 VanDerWaalsContact C-N 3.34Å; D275-A277 PolarHBondContact O-N 3.03Å; A277-H279 VanDerWaalsContact C-N 3.31Å; A277-H279 PolarHBondContact O-N 2.87Å; A277-L280 PolarHBondContact O-N 3.26Å; A277-S281 WeakPolarHBondContact O-CB 3.24Å; A277-S281 PolarHBondContact O-N 2.94Å; A277-I300 HydrophobicContact CB-CB 4.08Å; A277-I300 HydrophobicContact CB-CG2 3.94Å
278L98.8Very high97.3Very high45 Ų4546 Ų4624%0.23623%0.227CC..Hα-helixtrans-62.4-35.7171.8177.161.4000112.4R274 D275 G276 S281 K282 Y307R274-L278 PolarHBondContact O-N 3.44Å; D275-L278 VanDerWaalsContact O-CB 3.32Å; D275-L278 WeakPolarHBondContact O-CB 3.34Å; D275-L278 PolarHBondContact O-N 3.24Å; G276-L278 VanDerWaalsContact C-N 3.3Å; G276-L278 PolarHBondContact O-N 3.44Å; L278-S281 PolarHBondContact O-OG 2.91Å; L278-K282 WeakPolarHBondContact O-CG 3.28Å; L278-K282 PolarHBondContact O-N 3.34Å; L278-Y307 HydrophobicContact CB-CD2 3.58Å; L278-Y307 HydrophobicContact CB-CE2 3.77Å; L278-Y307 HydrophobicContact CB-CG 4.34Å; L278-Y307 HydrophobicContact CD1-CD1 4.06Å; L278-Y307 HydrophobicContact CD1-CD2 3.95Å; L278-Y307 HydrophobicContact CD1-CE1 4.23Å; L278-Y307 HydrophobicContact CD1-CE2 4.11Å; L278-Y307 HydrophobicContact CD1-CG 3.94Å; L278-Y307 HydrophobicContact CD2-CE2 4.37Å; L278-Y307 HydrophobicContact CG-CD2 4.29Å; L278-Y307 HydrophobicContact CG-CE2 4.29Å
279H98.8Very high97.3Very high36 Ų3644 Ų4417%0.16722%0.224CC..Hα-helixtrans-69.2-43.7176.3-70.375.9000111.2E250 D275 G276 A277 K282 V283E250-H279 VanDerWaalsContact CB-CD2 3.42Å; E250-H279 WeakPolarHBondContact CB-CD2 3.4Å; E250-H279 VanDerWaalsContact CG-CD2 3.48Å; E250-H279 WeakPolarHBondContact CG-CD2 3.28Å; E250-H279 IonicContact OE1-NE2 3.07Å; D275-H279 PolarHBondContact O-N 3.48Å; D275-H279 PolarHBondContact O-ND1 2.72Å; G276-H279 WeakPolarHBondContact O-CB 3.45Å; G276-H279 PolarHBondContact O-N 3.23Å; A277-H279 VanDerWaalsContact C-N 3.31Å; A277-H279 PolarHBondContact O-N 2.87Å; H279-K282 WeakPolarHBondContact O-CB 3.43Å; H279-K282 PolarHBondContact O-N 3.23Å; H279-V283 PolarHBondContact O-N 3.14Å
280L98.6Very high97.3Very high0 Ų041.7 Ų41.70%021%0.208CC..Hα-helixtrans-64.6-39.2175.8-176.358.4000112.2M249 L265 L267 G276 A277 K282 V283 L284 I293 L295 L308M249-L280 HydrophobicContact CE-CB 4.17Å; M249-L280 HydrophobicContact CE-CD1 4.07Å; L265-L280 HydrophobicContact CD2-CD1 4.46Å; L267-L280 HydrophobicContact CD1-CD2 4.34Å; G276-L280 PolarHBondContact O-N 3.28Å; A277-L280 PolarHBondContact O-N 3.26Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 2.93Å; L280-V283 HydrophobicContact CD1-CB 4.45Å; L280-V283 WeakPolarHBondContact O-CA 3.41Å; L280-V283 VanDerWaalsContact O-CB 3.24Å; L280-V283 WeakPolarHBondContact O-CB 3.32Å; L280-V283 PolarHBondContact O-N 3.39Å; L280-L284 PolarHBondContact O-N 3.45Å; L280-I293 HydrophobicContact CD1-CD1 4.39Å; L280-I293 HydrophobicContact CD2-CD1 4.36Å; L280-I293 HydrophobicContact CD2-CG2 4.21Å; L280-L295 HydrophobicContact CD2-CD1 3.9Å; L280-L295 HydrophobicContact CD2-CD2 4.18Å; L280-L295 HydrophobicContact CD2-CG 4.38Å; L280-L308 HydrophobicContact CD2-CD2 4.42Å; L280-L308 HydrophobicContact CG-CD2 4.45Å
281S98.5Very high97.3Very high0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-61.6-36.7176.477.90000111.8A277 L278 V283 L284 K285 Y307A277-S281 WeakPolarHBondContact O-CB 3.24Å; A277-S281 PolarHBondContact O-N 2.94Å; L278-S281 PolarHBondContact O-OG 2.91Å; S281-V283 VanDerWaalsContact C-N 3.28Å; S281-V283 PolarHBondContact O-N 3.21Å; S281-L284 PolarHBondContact O-N 3.46Å; S281-K285 WeakPolarHBondContact O-CG 3.48Å; S281-K285 PolarHBondContact O-N 3.09Å; S281-Y307 WeakPolarHBondContact CB-O 3.43Å
282K98.4Very high97.3Very high97 Ų9733.4 Ų33.442%0.42218%0.176SC..Hα-helixtrans-64.5-29.6172.5-68167.3-175.81710112.9L278 H279 L280L278-K282 WeakPolarHBondContact O-CG 3.28Å; L278-K282 PolarHBondContact O-N 3.34Å; H279-K282 WeakPolarHBondContact O-CB 3.43Å; H279-K282 PolarHBondContact O-N 3.23Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 2.93Å
283V98.3Very high97.3Very high1 Ų133.4 Ų33.41%0.00618%0.176CC..Hα-helixtrans-66.9-49.9171.7-179.50000109.3L256 K257 H279 L280 S281 K285 G286 S288L256-V283 HydrophobicContact CB-CG1 3.79Å; L256-V283 HydrophobicContact CB-CG2 4.16Å; K257-V283 HydrophobicContact CG-CG2 4.11Å; H279-V283 PolarHBondContact O-N 3.14Å; L280-V283 HydrophobicContact CD1-CB 4.45Å; L280-V283 WeakPolarHBondContact O-CA 3.41Å; L280-V283 VanDerWaalsContact O-CB 3.24Å; L280-V283 WeakPolarHBondContact O-CB 3.32Å; L280-V283 PolarHBondContact O-N 3.39Å; S281-V283 VanDerWaalsContact C-N 3.28Å; S281-V283 PolarHBondContact O-N 3.21Å; V283-K285 PolarHBondContact O-N 3.04Å; V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 3.07Å; V283-S288 WeakPolarHBondContact O-CB 3.46Å
284L97.5Very high97.3Very high7 Ų732.8 Ų32.84%0.03717%0.171CC..Hα-helixtrans-61.2-42.5-178.2-67179.4000112.7L280 S281 G286 N287 L290 I293 L308 A311 L319L280-L284 PolarHBondContact O-N 3.45Å; S281-L284 PolarHBondContact O-N 3.46Å; L284-G286 PolarHBondContact O-N 3.19Å; L284-G286 VanDerWaalsContact O-N 3.11Å; L284-N287 PolarHBondContact O-N 2.85Å; L284-L290 HydrophobicContact CD2-CB 4.3Å; L284-L290 HydrophobicContact CD2-CD1 4.5Å; L284-I293 HydrophobicContact CD1-CD1 4.2Å; L284-I293 HydrophobicContact CD2-CD1 3.84Å; L284-I293 HydrophobicContact CG-CD1 4.42Å; L284-L308 HydrophobicContact CD1-CD2 4.1Å; L284-A311 HydrophobicContact CB-CB 3.84Å; L284-A311 HydrophobicContact CD1-CB 4.4Å; L284-L319 HydrophobicContact CD1-CD2 4.37Å
285K96.4Very high97.3Very high77 Ų7727.5 Ų27.534%0.33515%0.151SC..THydrogen-bonded Turntrans-62-16.4174.3-68.3-176.8-174.9-177.90113.6S281 V283 N287 E310 A311S281-K285 WeakPolarHBondContact O-CG 3.48Å; S281-K285 PolarHBondContact O-N 3.09Å; V283-K285 PolarHBondContact O-N 3.04Å; K285-N287 PolarHBondContact O-N 3.47Å; K285-E310 IonicContact NZ-OE1 3.4Å; K285-E310 PolarHBondContact NZ-OE1 3.22Å; K285-E310 IonicContact NZ-OE2 3.57Å; K285-E310 PolarHBondContact NZ-OE2 3.15Å; K285-A311 HydrophobicContact CD-CB 4.48Å; K285-A311 HydrophobicContact CG-CB 3.7Å
286G94.1Very high97.3Very high50 Ų5024.5 Ų24.552%0.51514%0.136SC..THydrogen-bonded Turntrans-90.925.3-179.500000115V283 L284 S288V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 3.07Å; L284-G286 PolarHBondContact O-N 3.19Å; L284-G286 VanDerWaalsContact O-N 3.11Å; G286-S288 PolarHBondContact O-N 3.38Å
287N88.1Confident97.3Very high109 Ų10926.6 Ų26.658%0.58315%0.151SC*.THydrogen-bonded Turntrans5843.7-175.1-59.6-39.6000113.2L284 K285L284-N287 PolarHBondContact O-N 2.85Å; K285-N287 PolarHBondContact O-N 3.47Å
288S93.5Very high97.3Very high13 Ų1327.3 Ų27.39%0.09116%0.155CC..  trans-63.1140.7176.3-176.20000111.3V283 G286 L290 V318V283-S288 WeakPolarHBondContact O-CB 3.46Å; G286-S288 PolarHBondContact O-N 3.38Å; S288-L290 PolarHBondContact O-N 3.25Å; S288-L290 WeakPolarHBondContact OG-CG 3.49Å; S288-L290 PolarHBondContact OG-N 2.98Å; S288-V318 WeakPolarHBondContact O-CG2 3.44Å
289P96.9Very high97.3Very high28 Ų2832.5 Ų32.518%0.18217%0.171CC..  trans-74.93.517434.2-40.6000114.2N259 L262 E291N259-P289 WeakPolarHBondContact O-CD 3.21Å; L262-P289 WeakPolarHBondContact O-CG 3.35Å; P289-E291 PolarHBondContact O-N 3.42Å
290L97.8Very high97.2Very high2 Ų230.8 Ų30.81%0.0116%0.163CC..  trans-65119.4-178-71.9171.9000111.2L262 L265 L284 S288 I293 L319L262-L290 HydrophobicContact CB-CD2 4.46Å; L262-L290 HydrophobicContact CD2-CD2 4.1Å; L262-L290 HydrophobicContact CG-CD2 4.07Å; L262-L290 WeakPolarHBondContact O-CD2 3.35Å; L265-L290 HydrophobicContact CB-CD2 3.81Å; L265-L290 HydrophobicContact CD2-CD1 4.18Å; L284-L290 HydrophobicContact CD2-CB 4.3Å; L284-L290 HydrophobicContact CD2-CD1 4.5Å; S288-L290 PolarHBondContact O-N 3.25Å; S288-L290 WeakPolarHBondContact OG-CG 3.49Å; S288-L290 PolarHBondContact OG-N 2.98Å; L290-I293 HydrophobicContact CB-CD1 4.3Å; L290-I293 HydrophobicContact CB-CG1 4.44Å; L290-I293 HydrophobicContact CD1-CD1 4.11Å; L290-L319 WeakPolarHBondContact O-CA 3.14Å
291E97.6Very high97.2Very high19 Ų1932.3 Ų32.39%0.08917%0.17CC..  trans-103.4-29.1178.8-70.5-177.5-150.700112.5R263 P289 V318 R320 E321R263-E291 IonicContact CZ-OE1 3.96Å; R263-E291 IonicContact CZ-OE2 2.72Å; R263-E291 VanDerWaalsContact NE-CD 3.34Å; R263-E291 IonicContact NE-OE1 3.84Å; R263-E291 PolarHBondContact NE-OE1 3.31Å; R263-E291 IonicContact NE-OE2 2.81Å; R263-E291 IonicContact NH2-OE1 3.9Å; R263-E291 PolarHBondContact NH2-OE1 3.29Å; R263-E291 IonicContact NH2-OE2 3.96Å; R263-E291 PolarHBondContact NH2-OE2 3.19Å; R263-E291 PolarHBondContact O-N 2.95Å; P289-E291 PolarHBondContact O-N 3.42Å; E291-V318 HydrophobicContact CG-CG2 4.31Å; E291-R320 WeakPolarHBondContact O-CA 3.38Å; E291-R320 PolarHBondContact O-N 3.06Å; E291-R320 IonicContact OE1-NH1 3.3Å; E291-R320 IonicContact OE2-CZ 2.77Å; E291-R320 IonicContact OE2-NE 3Å; E291-R320 IonicContact OE2-NH1 2.89Å; E291-R320 PolarHBondContact OE2-NH1 2.89Å; E291-E321 PolarHBondContact O-N 2.8Å
292V98.4Very high97.3Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-131.6126.3-178.2-175.70000109.9R263 Y264 L265 E321 L399R263-V292 PolarHBondContact O-N 2.95Å; Y264-V292 WeakPolarHBondContact CA-O 3.44Å; Y264-V292 HydrophobicContact CD2-CB 3.48Å; Y264-V292 VanDerWaalsContact CD2-CB 3.48Å; Y264-V292 HydrophobicContact CD2-CG1 3.49Å; Y264-V292 VanDerWaalsContact CD2-CG1 3.49Å; Y264-V292 HydrophobicContact CD2-CG2 4Å; Y264-V292 HydrophobicContact CE2-CB 3.87Å; Y264-V292 HydrophobicContact CE2-CG1 3.3Å; Y264-V292 HydrophobicContact CE2-CG2 4.44Å; Y264-V292 HydrophobicContact CG-CB 4.03Å; Y264-V292 HydrophobicContact CG-CG1 4.22Å; L265-V292 PolarHBondContact N-O 2.96Å; V292-E321 WeakPolarHBondContact CA-O 3.49Å; V292-E321 HydrophobicContact CB-CB 4.44Å; V292-E321 HydrophobicContact CG1-CB 4.09Å; V292-E321 HydrophobicContact CG2-CB 4.07Å; V292-E321 HydrophobicContact CG2-CG 4.15Å; V292-L399 HydrophobicContact CG1-CD1 4.18Å; V292-L399 HydrophobicContact CG1-CD2 3.92Å
293I98.5Very high97.3Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-129.8123.6175.9-66.7176.8000109.5L265 L280 L284 L290 L295 L319 E321 L322 S323L265-I293 WeakPolarHBondContact O-CA 3.4Å; L280-I293 HydrophobicContact CD1-CD1 4.39Å; L280-I293 HydrophobicContact CD2-CD1 4.36Å; L280-I293 HydrophobicContact CD2-CG2 4.21Å; L284-I293 HydrophobicContact CD1-CD1 4.2Å; L284-I293 HydrophobicContact CD2-CD1 3.84Å; L284-I293 HydrophobicContact CG-CD1 4.42Å; L290-I293 HydrophobicContact CB-CD1 4.3Å; L290-I293 HydrophobicContact CB-CG1 4.44Å; L290-I293 HydrophobicContact CD1-CD1 4.11Å; I293-L295 HydrophobicContact CG2-CD1 3.94Å; I293-L295 HydrophobicContact CG2-CG 3.76Å; I293-L319 HydrophobicContact CB-CD1 4.2Å; I293-L319 HydrophobicContact CD1-CD1 3.75Å; I293-L319 HydrophobicContact CG1-CD1 3.74Å; I293-E321 PolarHBondContact N-O 2.8Å; I293-L322 HydrophobicContact CB-CD1 4.13Å; I293-L322 HydrophobicContact CG2-CD1 4.07Å; I293-L322 WeakPolarHBondContact O-CA 3.32Å; I293-S323 PolarHBondContact O-N 3.36Å
294D98.7Very high97.3Very high13 Ų1330.9 Ų30.97%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-102.4110.3168.7-166.2-10.7000110.2L265 L267 R268 S296 L399L265-D294 PolarHBondContact O-N 2.83Å; L267-D294 CarbonylContact C-O 3.24Å; L267-D294 WeakPolarHBondContact CA-O 3.47Å; L267-D294 PolarHBondContact N-O 3.12Å; R268-D294 PolarHBondContact N-O 3.42Å; D294-S296 WeakPolarHBondContact OD1-CB 3.38Å; D294-S296 PolarHBondContact OD1-N 3.39Å; D294-S296 PolarHBondContact OD1-OG 3.3Å; D294-L399 HydrophobicContact CB-CD1 3.54Å
295L98.6Very high97.4Very high0 Ų030.5 Ų30.50%017%0.168CC..  trans-109.814.3173.1-76.9164.5000112L267 L280 I293 N298 L308 L322 S323 V324 N327L267-L295 HydrophobicContact CB-CD2 4.06Å; L267-L295 HydrophobicContact CD1-CD2 4.09Å; L280-L295 HydrophobicContact CD2-CD1 3.9Å; L280-L295 HydrophobicContact CD2-CD2 4.18Å; L280-L295 HydrophobicContact CD2-CG 4.38Å; I293-L295 HydrophobicContact CG2-CD1 3.94Å; I293-L295 HydrophobicContact CG2-CG 3.76Å; L295-N298 PolarHBondContact O-ND2 3.26Å; L295-L308 HydrophobicContact CD1-CD1 3.64Å; L295-L322 HydrophobicContact CD1-CD1 4.34Å; L295-S323 WeakPolarHBondContact CA-O 3.43Å; L295-S323 WeakPolarHBondContact CB-O 3.46Å; L295-S323 PolarHBondContact N-O 3.06Å; L295-V324 HydrophobicContact CB-CG1 4.47Å; L295-N327 PolarHBondContact O-ND2 3.14Å
296S98.4Very high97.5Very high17 Ų1730.2 Ų30.212%0.11917%0.167CC..  trans-54.4144.7-175.1-53.40000112.4R268 C269 D294 N298 S323 C325R268-S296 CarbonylContact C-O 3.4Å; R268-S296 WeakPolarHBondContact CA-O 3.44Å; C269-S296 PolarHBondContact N-O 3.01Å; D294-S296 WeakPolarHBondContact OD1-CB 3.38Å; D294-S296 PolarHBondContact OD1-N 3.39Å; D294-S296 PolarHBondContact OD1-OG 3.3Å; S296-N298 PolarHBondContact O-N 3.21Å; S296-N298 PolarHBondContact O-ND2 3.46Å; S296-S323 WeakPolarHBondContact OG-CB 3.4Å; S296-S323 PolarHBondContact OG-OG 2.83Å; S296-C325 CarbonylContact C-O 3.57Å; S296-C325 VanDerWaalsContact CA-O 3.26Å; S296-C325 WeakPolarHBondContact CA-O 3.09Å
297S98.4Very high97.7Very high45 Ų4531.3 Ų31.332%0.31516%0.156SC..SBendtrans57.846176.3-51.80000113.8C269 C325 R326C269-S297 VanDerWaalsContact CA-O 3.29Å; C269-S297 WeakPolarHBondContact CA-O 3.3Å; C269-S297 VanDerWaalsContact SG-CB 3.59Å; S297-C325 PolarHBondContact N-O 2.98Å; S297-R326 VanDerWaalsContact CA-O 3.27Å; S297-R326 WeakPolarHBondContact CA-O 3.27Å
298N98.8Very high98.2Very high14 Ų1426.2 Ų26.28%0.07513%0.129CC..SBendtrans-114.4-158.2168.2-80.3-80.9000109.1L267 N270 R271 V272 L295 S296 I300 N327L267-N298 PolarHBondContact O-ND2 3.27Å; N270-N298 VanDerWaalsContact CA-OD1 3.25Å; N270-N298 WeakPolarHBondContact CA-OD1 3.28Å; N270-N298 VanDerWaalsContact CB-OD1 3.22Å; N270-N298 WeakPolarHBondContact CB-OD1 3.26Å; N270-N298 PolarHBondContact N-OD1 3.17Å; N270-N298 PolarHBondContact O-OD1 3.03Å; N270-N298 VanDerWaalsContact O-OD1 3.13Å; R271-N298 PolarHBondContact N-OD1 3.3Å; V272-N298 HydrophobicContact CB-CB 4.27Å; V272-N298 WeakPolarHBondContact CB-OD1 3.1Å; V272-N298 PolarHBondContact N-OD1 3.17Å; V272-N298 WeakPolarHBondContact O-CB 3.36Å; L295-N298 PolarHBondContact O-ND2 3.26Å; S296-N298 PolarHBondContact O-N 3.21Å; S296-N298 PolarHBondContact O-ND2 3.46Å; N298-I300 HydrophobicContact CB-CG2 4.42Å; N298-N327 WeakPolarHBondContact CA-OD1 3.3Å; N298-N327 WeakPolarHBondContact CB-OD1 3.24Å; N298-N327 PolarHBondContact N-OD1 2.99Å; N298-N327 WeakPolarHBondContact O-CA 3.37Å
299R98Very high98.5Very high154 Ų15426 Ų2658%0.58113%0.127SC*.BIsolated β-bridgetrans-136.450.5178-163.9-177.9166.6172.7-0.6111.4V272 S273 E301 N327V272-R299 CarbonylContact O-C 3.28Å; V272-R299 PolarHBondContact O-N 2.87Å; S273-R299 VanDerWaalsContact CA-O 3.28Å; S273-R299 WeakPolarHBondContact CA-O 3.36Å; R299-E301 HydrophobicContact CG-CG 4.11Å; R299-E301 IonicContact CZ-OE1 2.53Å; R299-E301 IonicContact NE-OE1 3.03Å; R299-E301 PolarHBondContact NE-OE1 3.23Å; R299-E301 IonicContact NH2-OE1 3.32Å; R299-E301 PolarHBondContact NH2-OE1 2.78Å; R299-E301 PolarHBondContact O-N 3.02Å; R299-N327 PolarHBondContact N-OD1 2.86Å
300I98.6Very high98.5Very high0 Ų029.8 Ų29.80%014%0.143CC..  trans-69.2-23-175.371.2171.1000113.4V272 R274 A277 N298 G304 L308 V324 N327 I329V272-I300 HydrophobicContact CG1-CG2 4.42Å; R274-I300 WeakPolarHBondContact CA-O 3.28Å; R274-I300 VanDerWaalsContact CB-O 3.3Å; R274-I300 WeakPolarHBondContact CB-O 3.35Å; A277-I300 HydrophobicContact CB-CB 4.08Å; A277-I300 HydrophobicContact CB-CG2 3.94Å; N298-I300 HydrophobicContact CB-CG2 4.42Å; I300-G304 VanDerWaalsContact O-CA 3.29Å; I300-G304 WeakPolarHBondContact O-CA 3.46Å; I300-G304 PolarHBondContact O-N 3.1Å; I300-G304 VanDerWaalsContact O-N 3.1Å; I300-L308 HydrophobicContact CD1-CD1 3.83Å; I300-V324 HydrophobicContact CD1-CB 4.39Å; I300-V324 HydrophobicContact CD1-CG1 3.88Å; I300-N327 HydrophobicContact CG1-CB 3.83Å; I300-N327 PolarHBondContact N-O 2.79Å; I300-N327 PolarHBondContact N-OD1 3.07Å; I300-I329 HydrophobicContact CD1-CD1 3.93Å; I300-I329 HydrophobicContact CG1-CD1 4.02Å; I300-I329 HydrophobicContact CG1-CG1 4.07Å
301E98.8Very high98.6Very high32 Ų3229.7 Ų29.715%0.1514%0.142CC..Hα-helixtrans54.8-173.8179.2-60.3177.3175.600113R274 R299 G304 A305 N327R274-E301 IonicContact CZ-OE2 2.89Å; R274-E301 IonicContact NH1-OE2 2.92Å; R274-E301 PolarHBondContact NH1-OE2 2.95Å; R274-E301 VanDerWaalsContact NH1-OE2 3.15Å; R299-E301 HydrophobicContact CG-CG 4.11Å; R299-E301 IonicContact CZ-OE1 2.53Å; R299-E301 IonicContact NE-OE1 3.03Å; R299-E301 PolarHBondContact NE-OE1 3.23Å; R299-E301 IonicContact NH2-OE1 3.32Å; R299-E301 PolarHBondContact NH2-OE1 2.78Å; R299-E301 PolarHBondContact O-N 3.02Å; E301-G304 PolarHBondContact O-N 3.46Å; E301-A305 PolarHBondContact O-N 3.42Å; E301-N327 PolarHBondContact N-O 3.21Å
302D98.9Very high98.6Very high32 Ų3228.8 Ų28.817%0.17114%0.138CC..Hα-helixtrans-59.3-47.1179.9-64.8-45.4000113.5G304 A305 E306 S330 G333D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 2.96Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 VanDerWaalsContact O-N 3.16Å; D302-E306 WeakPolarHBondContact O-CG 3.45Å; D302-E306 PolarHBondContact O-N 3.1Å; D302-S330 VanDerWaalsContact OD1-CA 3.29Å; D302-S330 WeakPolarHBondContact OD1-CA 3.15Å; D302-S330 PolarHBondContact OD1-N 3.41Å; D302-S330 WeakPolarHBondContact OD2-CB 3.26Å; D302-S330 PolarHBondContact OD2-OG 2.98Å; D302-G333 WeakPolarHBondContact OD1-CA 3.23Å; D302-G333 PolarHBondContact OD1-N 3.48Å
303P98.8Very high98.5Very high36 Ų3631.5 Ų31.523%0.23416%0.156CC..Hα-helixtrans-63.2-37.2-177.8-2335000112.8R274 E306 Y307R274-P303 HydrophobicContact CB-CB 4.12Å; P303-E306 PolarHBondContact O-N 2.96Å; P303-Y307 HydrophobicContact CB-CE2 4.18Å; P303-Y307 WeakPolarHBondContact O-CD2 2.95Å; P303-Y307 PolarHBondContact O-N 3.29Å
304G98.8Very high98.3Very high0 Ų033.6 Ų33.60%017%0.17CC..Hα-helixtrans-64.9-42.617600000112.2I300 E301 D302 E306 Y307 L308I300-G304 VanDerWaalsContact O-CA 3.29Å; I300-G304 WeakPolarHBondContact O-CA 3.46Å; I300-G304 PolarHBondContact O-N 3.1Å; I300-G304 VanDerWaalsContact O-N 3.1Å; E301-G304 PolarHBondContact O-N 3.46Å; D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 2.96Å; G304-E306 VanDerWaalsContact C-N 3.34Å; G304-Y307 PolarHBondContact O-N 3.23Å; G304-L308 WeakPolarHBondContact O-CG 3.33Å; G304-L308 PolarHBondContact O-N 3.03Å; G304-L308 VanDerWaalsContact O-N 3.08Å
305A98.9Very high97.8Very high0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-62.8-39.8174.500000112.2E301 D302 L308 S309 I329 L337E301-A305 PolarHBondContact O-N 3.42Å; D302-A305 PolarHBondContact O-N 3.44Å; D302-A305 VanDerWaalsContact O-N 3.16Å; A305-L308 PolarHBondContact O-N 3.01Å; A305-S309 WeakPolarHBondContact O-CB 3.47Å; A305-S309 PolarHBondContact O-N 3.34Å; A305-S309 PolarHBondContact O-OG 3.49Å; A305-I329 HydrophobicContact CB-CD1 4.13Å; A305-I329 HydrophobicContact CB-CG1 4.44Å; A305-I329 HydrophobicContact CB-CG2 3.78Å; A305-L337 HydrophobicContact CB-CD1 3.97Å; A305-L337 HydrophobicContact CB-CG 4.21Å
306E98.9Very high97.2Very high71 Ų7144.2 Ų44.233%0.33223%0.232SC..Hα-helixtrans-63.3-45.1175.4-72.9169.1-167.500111.8D302 P303 G304 L308 S309 E310 S332 S336D302-E306 WeakPolarHBondContact O-CG 3.45Å; D302-E306 PolarHBondContact O-N 3.1Å; P303-E306 PolarHBondContact O-N 2.96Å; G304-E306 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 2.91Å; E306-S309 WeakPolarHBondContact O-CB 3.4Å; E306-S309 PolarHBondContact O-N 3.3Å; E306-E310 PolarHBondContact O-N 2.81Å; E306-S332 PolarHBondContact OE1-OG 3.26Å; E306-S336 WeakPolarHBondContact CG-OG 3.33Å
307Y98.8Very high96.9Very high73 Ų7344.2 Ų44.229%0.28623%0.232SC..Hα-helixtrans-61-42.1176-61.4-35.4000112.8L278 S281 P303 G304 A311L278-Y307 HydrophobicContact CB-CD2 3.58Å; L278-Y307 HydrophobicContact CB-CE2 3.77Å; L278-Y307 HydrophobicContact CB-CG 4.34Å; L278-Y307 HydrophobicContact CD1-CD1 4.06Å; L278-Y307 HydrophobicContact CD1-CD2 3.95Å; L278-Y307 HydrophobicContact CD1-CE1 4.23Å; L278-Y307 HydrophobicContact CD1-CE2 4.11Å; L278-Y307 HydrophobicContact CD1-CG 3.94Å; L278-Y307 HydrophobicContact CD2-CE2 4.37Å; L278-Y307 HydrophobicContact CG-CD2 4.29Å; L278-Y307 HydrophobicContact CG-CE2 4.29Å; S281-Y307 WeakPolarHBondContact CB-O 3.43Å; P303-Y307 HydrophobicContact CB-CE2 4.18Å; P303-Y307 WeakPolarHBondContact O-CD2 2.95Å; P303-Y307 PolarHBondContact O-N 3.29Å; G304-Y307 PolarHBondContact O-N 3.23Å; Y307-A311 PolarHBondContact O-N 3.42Å; Y307-A311 VanDerWaalsContact O-N 3.15Å
308L98.8Very high96.8Very high2 Ų245 Ų451%0.0123%0.234CC..Hα-helixtrans-66.3-43.3176.2-67.4173.3000110.9L280 L284 L295 I300 G304 A305 E306 E310 A311 I312L280-L308 HydrophobicContact CD2-CD2 4.42Å; L280-L308 HydrophobicContact CG-CD2 4.45Å; L284-L308 HydrophobicContact CD1-CD2 4.1Å; L295-L308 HydrophobicContact CD1-CD1 3.64Å; I300-L308 HydrophobicContact CD1-CD1 3.83Å; G304-L308 WeakPolarHBondContact O-CG 3.33Å; G304-L308 PolarHBondContact O-N 3.03Å; G304-L308 VanDerWaalsContact O-N 3.08Å; A305-L308 PolarHBondContact O-N 3.01Å; E306-L308 PolarHBondContact O-N 2.91Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 2.74Å; L308-A311 PolarHBondContact O-N 2.8Å; L308-A311 VanDerWaalsContact O-N 3.16Å; L308-I312 WeakPolarHBondContact O-CB 3.34Å; L308-I312 WeakPolarHBondContact O-CD1 3.33Å; L308-I312 WeakPolarHBondContact O-CG1 3.13Å; L308-I312 PolarHBondContact O-N 3.02Å
309S98.7Very high96.8Very high7 Ų744.3 Ų44.35%0.04923%0.231CC..Hα-helixtrans-58.5-44.4177.5-59.60000112A305 E306 I312 C313 S336 L337A305-S309 WeakPolarHBondContact O-CB 3.47Å; A305-S309 PolarHBondContact O-N 3.34Å; A305-S309 PolarHBondContact O-OG 3.49Å; E306-S309 WeakPolarHBondContact O-CB 3.4Å; E306-S309 PolarHBondContact O-N 3.3Å; S309-I312 PolarHBondContact O-N 3.06Å; S309-C313 PolarHBondContact O-N 3.4Å; S309-C313 PolarHBondContact O-SG 3.06Å; S309-C313 VanDerWaalsContact O-SG 3.32Å; S309-S336 PolarHBondContact OG-O 2.85Å; S309-L337 WeakPolarHBondContact OG-CA 3.39Å; S309-L337 WeakPolarHBondContact OG-CD2 3.39Å; S309-L337 PolarHBondContact OG-N 2.84Å
310E98.3Very high96.7Very high108 Ų10842.3 Ų42.351%0.50522%0.224SC..Hα-helixtrans-61.7-43.9175.7-166-160.4153.700111.4K285 E306 L308 C313 C314K285-E310 IonicContact NZ-OE1 3.4Å; K285-E310 PolarHBondContact NZ-OE1 3.22Å; K285-E310 IonicContact NZ-OE2 3.57Å; K285-E310 PolarHBondContact NZ-OE2 3.15Å; E306-E310 PolarHBondContact O-N 2.81Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 2.74Å; E310-C313 PolarHBondContact O-N 3.37Å; E310-C314 PolarHBondContact O-N 3.46Å; E310-C314 PolarHBondContact O-SG 2.74Å; E310-C314 VanDerWaalsContact O-SG 3.37Å
311A98.2Very high96.7Very high0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-66.9-36.4179.100000113.1L284 K285 Y307 L308 C313 C314L284-A311 HydrophobicContact CB-CB 3.84Å; L284-A311 HydrophobicContact CD1-CB 4.4Å; K285-A311 HydrophobicContact CD-CB 4.48Å; K285-A311 HydrophobicContact CG-CB 3.7Å; Y307-A311 PolarHBondContact O-N 3.42Å; Y307-A311 VanDerWaalsContact O-N 3.15Å; L308-A311 PolarHBondContact O-N 2.8Å; L308-A311 VanDerWaalsContact O-N 3.16Å; A311-C313 VanDerWaalsContact C-N 3.26Å; A311-C313 PolarHBondContact O-N 3.43Å; A311-C314 WeakPolarHBondContact O-CB 3.38Å; A311-C314 PolarHBondContact O-N 2.98Å
312I97.9Very high96.7Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-64.8-33.2177.2-71.4159.5000111.6L308 S309 C314 S317 L319 L322 A340 S344 L347L308-I312 WeakPolarHBondContact O-CB 3.34Å; L308-I312 WeakPolarHBondContact O-CD1 3.33Å; L308-I312 WeakPolarHBondContact O-CG1 3.13Å; L308-I312 PolarHBondContact O-N 3.02Å; S309-I312 PolarHBondContact O-N 3.06Å; I312-C314 VanDerWaalsContact C-N 3.33Å; I312-S317 WeakPolarHBondContact O-CB 3.46Å; I312-L319 HydrophobicContact CD1-CD2 4.03Å; I312-L319 HydrophobicContact CG1-CD2 3.84Å; I312-L322 HydrophobicContact CD1-CD2 3.84Å; I312-A340 HydrophobicContact CB-CB 4.35Å; I312-A340 HydrophobicContact CG2-CB 4.08Å; I312-S344 WeakPolarHBondContact O-CB 3.35Å; I312-S344 PolarHBondContact O-OG 2.8Å; I312-L347 HydrophobicContact CD1-CD2 4.27Å; I312-L347 HydrophobicContact CG2-CB 4.14Å; I312-L347 HydrophobicContact CG2-CD2 4.07Å
313C96.8Very high96.7Very high57 Ų5740.1 Ų40.139%0.38521%0.213SC..THydrogen-bonded Turntrans-79.6-10177.1-68.50000113.8S309 E310 A311S309-C313 PolarHBondContact O-N 3.4Å; S309-C313 PolarHBondContact O-SG 3.06Å; S309-C313 VanDerWaalsContact O-SG 3.32Å; E310-C313 PolarHBondContact O-N 3.37Å; A311-C313 VanDerWaalsContact C-N 3.26Å; A311-C313 PolarHBondContact O-N 3.43Å
314C94.8Very high96.6Very high44 Ų4438.4 Ų38.430%0.29720%0.201SC..SBendtrans-67141.5177-69.80000111.4E310 A311 I312 G316 S317E310-C314 PolarHBondContact O-N 3.46Å; E310-C314 PolarHBondContact O-SG 2.74Å; E310-C314 VanDerWaalsContact O-SG 3.37Å; A311-C314 WeakPolarHBondContact O-CB 3.38Å; A311-C314 PolarHBondContact O-N 2.98Å; I312-C314 VanDerWaalsContact C-N 3.33Å; C314-G316 PolarHBondContact O-N 3.2Å; C314-S317 WeakPolarHBondContact O-CB 3.35Å; C314-S317 PolarHBondContact O-N 3.26Å; C314-S317 VanDerWaalsContact O-N 3.17Å
315E87.8Confident96.6Very high191 Ų19139.3 Ų39.389%0.89321%0.208SC*.THydrogen-bonded Turntrans-57.2131.7171.3-66.6-173.5172.100110
316G85.8Confident96.6Very high46 Ų4645.7 Ų45.747%0.47423%0.232SC..THydrogen-bonded Turntrans92.2-5.6-178.300000115.3C314 V318C314-G316 PolarHBondContact O-N 3.2Å; G316-V318 PolarHBondContact O-N 3.45Å
317S93.1Very high96.6Very high17 Ų1742.3 Ų42.312%0.11922%0.216CC..  trans-61.2127.2168.61790000110.8I312 C314I312-S317 WeakPolarHBondContact O-CB 3.46Å; C314-S317 WeakPolarHBondContact O-CB 3.35Å; C314-S317 PolarHBondContact O-N 3.26Å; C314-S317 VanDerWaalsContact O-N 3.17Å
318V96.3Very high96.6Very high60 Ų6042.2 Ų42.236%0.36422%0.22SC..  trans-110.19.3176.3-59.90000112.5S288 E291 G316 R320S288-V318 WeakPolarHBondContact O-CG2 3.44Å; E291-V318 HydrophobicContact CG-CG2 4.31Å; G316-V318 PolarHBondContact O-N 3.45Å; V318-R320 WeakPolarHBondContact O-CG 3Å; V318-R320 PolarHBondContact O-N 3.47Å
319L97.6Very high96.6Very high1 Ų142.1 Ų42.11%0.00522%0.22CC..  trans-63.6120.4-178-169.871.4000110.1L284 L290 I293 I312 L322 A346 L347L284-L319 HydrophobicContact CD1-CD2 4.37Å; L290-L319 WeakPolarHBondContact O-CA 3.14Å; I293-L319 HydrophobicContact CB-CD1 4.2Å; I293-L319 HydrophobicContact CD1-CD1 3.75Å; I293-L319 HydrophobicContact CG1-CD1 3.74Å; I312-L319 HydrophobicContact CD1-CD2 4.03Å; I312-L319 HydrophobicContact CG1-CD2 3.84Å; L319-L322 HydrophobicContact CD2-CB 4.23Å; L319-A346 CarbonylContact O-C 3.45Å; L319-L347 HydrophobicContact CD2-CD1 4.48Å; L319-L347 HydrophobicContact CG-CD1 4.42Å; L319-L347 VanDerWaalsContact O-CA 3.29Å; L319-L347 WeakPolarHBondContact O-CA 3.4Å; L319-L347 PolarHBondContact O-N 2.82Å
320R96.8Very high96.6Very high112 Ų11243.7 Ų43.742%0.42323%0.231SC..  trans-103.2-35.6-176.6-70.4177.8175.1165.8-8.3113E291 V318 A346 T348 H349E291-R320 WeakPolarHBondContact O-CA 3.38Å; E291-R320 PolarHBondContact O-N 3.06Å; E291-R320 IonicContact OE1-NH1 3.3Å; E291-R320 IonicContact OE2-CZ 2.77Å; E291-R320 IonicContact OE2-NE 3Å; E291-R320 IonicContact OE2-NH1 2.89Å; E291-R320 PolarHBondContact OE2-NH1 2.89Å; V318-R320 WeakPolarHBondContact O-CG 3Å; V318-R320 PolarHBondContact O-N 3.47Å; R320-A346 WeakPolarHBondContact CA-O 3.01Å; R320-T348 PolarHBondContact O-N 3.28Å; R320-T348 PolarHBondContact O-OG1 3.26Å; R320-T348 VanDerWaalsContact O-OG1 3.06Å; R320-H349 PolarHBondContact O-N 3.46Å
321E97.9Very high96.6Very high12 Ų1239.6 Ų39.66%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-136.5127.8-174.2-49.5176.5-142.300110.2E291 V292 I293 H349 L399 R400E291-E321 PolarHBondContact O-N 2.8Å; V292-E321 WeakPolarHBondContact CA-O 3.49Å; V292-E321 HydrophobicContact CB-CB 4.44Å; V292-E321 HydrophobicContact CG1-CB 4.09Å; V292-E321 HydrophobicContact CG2-CB 4.07Å; V292-E321 HydrophobicContact CG2-CG 4.15Å; I293-E321 PolarHBondContact N-O 2.8Å; E321-H349 WeakPolarHBondContact CA-O 3.34Å; E321-H349 HydrophobicContact CB-CB 4.06Å; E321-H349 HydrophobicContact CG-CB 3.86Å; E321-L399 HydrophobicContact CB-CD2 3.47Å; E321-L399 VanDerWaalsContact CB-CD2 3.47Å; E321-L399 HydrophobicContact CG-CD2 4.47Å; E321-L399 WeakPolarHBondContact OE2-CD2 3.43Å; E321-R400 IonicContact OE1-CZ 2.86Å; E321-R400 IonicContact OE1-NE 3.74Å; E321-R400 PolarHBondContact OE1-NE 2.86Å; E321-R400 IonicContact OE1-NH2 3.9Å; E321-R400 PolarHBondContact OE1-NH2 3.07Å; E321-R400 IonicContact OE2-NE 2.99Å
322L98.3Very high96.6Very high1 Ų142.6 Ų42.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-131.7122.6178.7176.662.2000110.1I293 L295 I312 L319 V324 L337 L347 H349 I350 Y351I293-L322 HydrophobicContact CB-CD1 4.13Å; I293-L322 HydrophobicContact CG2-CD1 4.07Å; I293-L322 WeakPolarHBondContact O-CA 3.32Å; L295-L322 HydrophobicContact CD1-CD1 4.34Å; I312-L322 HydrophobicContact CD1-CD2 3.84Å; L319-L322 HydrophobicContact CD2-CB 4.23Å; L322-V324 HydrophobicContact CD1-CG1 4Å; L322-V324 HydrophobicContact CD2-CG1 4.1Å; L322-V324 HydrophobicContact CG-CG1 3.94Å; L322-L337 HydrophobicContact CD2-CD2 3.99Å; L322-L347 HydrophobicContact CB-CD1 4.04Å; L322-H349 PolarHBondContact N-O 3.14Å; L322-H349 VanDerWaalsContact N-O 3.11Å; L322-I350 WeakPolarHBondContact O-CA 3.46Å; L322-Y351 PolarHBondContact O-N 3.44Å
323S98.6Very high96.6Very high4 Ų442.6 Ų42.63%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-104.1126.7165.4-173.90000111I293 L295 S296 C325I293-S323 PolarHBondContact O-N 3.36Å; L295-S323 WeakPolarHBondContact CA-O 3.43Å; L295-S323 WeakPolarHBondContact CB-O 3.46Å; L295-S323 PolarHBondContact N-O 3.06Å; S296-S323 WeakPolarHBondContact OG-CB 3.4Å; S296-S323 PolarHBondContact OG-OG 2.83Å; S323-C325 PolarHBondContact OG-SG 3.26Å
324V98.6Very high96.7Very high0 Ų039.9 Ų39.90%022%0.216CC..  trans-127.425.4172.9-67.10000111L295 I300 L322 R326 N327 I329 L337 Y351 I352 N355L295-V324 HydrophobicContact CB-CG1 4.47Å; I300-V324 HydrophobicContact CD1-CB 4.39Å; I300-V324 HydrophobicContact CD1-CG1 3.88Å; L322-V324 HydrophobicContact CD1-CG1 4Å; L322-V324 HydrophobicContact CD2-CG1 4.1Å; L322-V324 HydrophobicContact CG-CG1 3.94Å; V324-R326 PolarHBondContact O-N 3.06Å; V324-N327 VanDerWaalsContact C-ND2 3.27Å; V324-N327 WeakPolarHBondContact O-CB 3.45Å; V324-N327 PolarHBondContact O-ND2 3.14Å; V324-I329 HydrophobicContact CB-CD1 3.83Å; V324-I329 HydrophobicContact CG2-CD1 3.86Å; V324-L337 HydrophobicContact CG2-CD1 3.84Å; V324-Y351 WeakPolarHBondContact CG2-O 3.47Å; V324-Y351 PolarHBondContact N-O 2.83Å; V324-I352 HydrophobicContact CG2-CG2 3.99Å; V324-N355 PolarHBondContact O-ND2 3.37Å
325C98.3Very high96.9Very high20 Ų2041 Ų4114%0.13522%0.218CC..THydrogen-bonded Turntrans-52.2141.8177.6-54.60000111.2S296 S297 S323 N327 Y351 W353 D380S296-C325 CarbonylContact C-O 3.57Å; S296-C325 VanDerWaalsContact CA-O 3.26Å; S296-C325 WeakPolarHBondContact CA-O 3.09Å; S297-C325 PolarHBondContact N-O 2.98Å; S323-C325 PolarHBondContact OG-SG 3.26Å; C325-N327 PolarHBondContact O-N 2.83Å; C325-N327 PolarHBondContact O-ND2 3.46Å; C325-Y351 PolarHBondContact N-O 3.36Å; C325-Y351 VanDerWaalsContact SG-CB 3.56Å; C325-W353 CarbonylContact C-O 3.37Å; C325-W353 WeakPolarHBondContact CA-O 3.38Å; C325-W353 VanDerWaalsContact CB-O 3.28Å; C325-W353 WeakPolarHBondContact CB-O 3.44Å; C325-D380 PolarHBondContact SG-OD2 2.83Å
326R98.3Very high97.5Very high134 Ų13433.7 Ų33.751%0.50619%0.189SC..THydrogen-bonded Turntrans53.354.6173-55.6175.4-168.6-76.6-5.4113.7S297 V324 W353 G354S297-R326 VanDerWaalsContact CA-O 3.27Å; S297-R326 WeakPolarHBondContact CA-O 3.27Å; V324-R326 PolarHBondContact O-N 3.06Å; R326-W353 PolarHBondContact N-O 3.37Å; R326-G354 WeakPolarHBondContact CA-O 3.46Å
327N98.8Very high98.1Very high0 Ų031.6 Ų31.60%017%0.167CC..SBendtrans-1167.8-176.9-96.3-79.3000115L295 N298 R299 I300 E301 V324 C325 I329 N355L295-N327 PolarHBondContact O-ND2 3.14Å; N298-N327 WeakPolarHBondContact CA-OD1 3.3Å; N298-N327 WeakPolarHBondContact CB-OD1 3.24Å; N298-N327 PolarHBondContact N-OD1 2.99Å; N298-N327 WeakPolarHBondContact O-CA 3.37Å; R299-N327 PolarHBondContact N-OD1 2.86Å; I300-N327 HydrophobicContact CG1-CB 3.83Å; I300-N327 PolarHBondContact N-O 2.79Å; I300-N327 PolarHBondContact N-OD1 3.07Å; E301-N327 PolarHBondContact N-O 3.21Å; V324-N327 VanDerWaalsContact C-ND2 3.27Å; V324-N327 WeakPolarHBondContact O-CB 3.45Å; V324-N327 PolarHBondContact O-ND2 3.14Å; C325-N327 PolarHBondContact O-N 2.83Å; C325-N327 PolarHBondContact O-ND2 3.46Å; N327-I329 HydrophobicContact CB-CD1 3.77Å; N327-I329 HydrophobicContact CB-CG1 3.67Å; N327-I329 PolarHBondContact O-N 3.1Å; N327-N355 WeakPolarHBondContact CA-OD1 3.24Å; N327-N355 PolarHBondContact N-OD1 2.84Å
328N98.4Very high98.3Very high70 Ų7031.1 Ų31.137%0.37416%0.164SC..  trans56.437.3-173.5-168.252.5000112.5N355 H356N328-N355 PolarHBondContact N-OD1 2.92Å; N328-N355 VanDerWaalsContact N-OD1 3.17Å; N328-H356 PolarHBondContact OD1-NE2 3.36Å
329I98.8Very high98.4Very high0 Ų029.5 Ų29.50%016%0.16CC..  trans-83.8135.3174.7-48.3169.3000108I300 A305 V324 N327 L334 L337 N355 H356I300-I329 HydrophobicContact CD1-CD1 3.93Å; I300-I329 HydrophobicContact CG1-CD1 4.02Å; I300-I329 HydrophobicContact CG1-CG1 4.07Å; A305-I329 HydrophobicContact CB-CD1 4.13Å; A305-I329 HydrophobicContact CB-CG1 4.44Å; A305-I329 HydrophobicContact CB-CG2 3.78Å; V324-I329 HydrophobicContact CB-CD1 3.83Å; V324-I329 HydrophobicContact CG2-CD1 3.86Å; N327-I329 HydrophobicContact CB-CD1 3.77Å; N327-I329 HydrophobicContact CB-CG1 3.67Å; N327-I329 PolarHBondContact O-N 3.1Å; I329-L334 HydrophobicContact CB-CD2 4.31Å; I329-L334 HydrophobicContact CB-CG 4.16Å; I329-L334 HydrophobicContact CG2-CD2 4.17Å; I329-L334 HydrophobicContact CG2-CG 3.78Å; I329-L337 HydrophobicContact CD1-CD1 4.31Å; I329-N355 HydrophobicContact CB-CB 4.24Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.23Å; I329-N355 PolarHBondContact N-OD1 3.27Å; I329-N355 WeakPolarHBondContact O-CB 3.47Å; I329-H356 PolarHBondContact O-CD2 3.19Å; I329-H356 PolarHBondContact O-N 3.11Å
330S98.6Very high98.4Very high40 Ų4029.6 Ų29.628%0.2816%0.16SC..  trans-100.5-169.4177.3-30.90000111D302 S332 G333 L334D302-S330 VanDerWaalsContact OD1-CA 3.29Å; D302-S330 WeakPolarHBondContact OD1-CA 3.15Å; D302-S330 PolarHBondContact OD1-N 3.41Å; D302-S330 WeakPolarHBondContact OD2-CB 3.26Å; D302-S330 PolarHBondContact OD2-OG 2.98Å; S330-S332 VanDerWaalsContact C-N 3.33Å; S330-S332 PolarHBondContact O-N 2.87Å; S330-G333 PolarHBondContact O-N 3.46Å; S330-L334 WeakPolarHBondContact O-CB 3.12Å; S330-L334 WeakPolarHBondContact O-CG 3.23Å; S330-L334 PolarHBondContact O-N 2.96Å; S330-L334 VanDerWaalsContact O-N 3.09Å
331T98.5Very high98.4Very high23 Ų2324.2 Ų24.214%0.14114%0.14CC..Hα-helixtrans-55.9-41.7-177.4-58.70000113.2L335 E358 P360 V361T331-L335 HydrophobicContact CG2-CD1 3.72Å; T331-L335 HydrophobicContact CG2-CG 4.17Å; T331-L335 VanDerWaalsContact O-CB 3.3Å; T331-L335 WeakPolarHBondContact O-CB 3.28Å; T331-L335 WeakPolarHBondContact O-CG 3.36Å; T331-L335 PolarHBondContact O-N 3.39Å; T331-E358 WeakPolarHBondContact OG1-CB 3.26Å; T331-E358 VanDerWaalsContact OG1-CD 3.29Å; T331-E358 PolarHBondContact OG1-OE2 3.34Å; T331-P360 HydrophobicContact CG2-CB 3.98Å; T331-P360 HydrophobicContact CG2-CG 4.23Å; T331-V361 HydrophobicContact CG2-CG2 4.07Å
332S98.6Very high98.3Very high62 Ų6228.1 Ų28.143%0.43417%0.165SC..Hα-helixtrans-61.9-49.9-179.2-169.60000112.6E306 S330 S336E306-S332 PolarHBondContact OE1-OG 3.26Å; S330-S332 VanDerWaalsContact C-N 3.33Å; S330-S332 PolarHBondContact O-N 2.87Å; S332-S336 WeakPolarHBondContact O-CB 3.19Å; S332-S336 PolarHBondContact O-N 3.25Å; S332-S336 PolarHBondContact O-OG 2.87Å
333G98.8Very high98.1Very high0 Ų033.7 Ų33.70%020%0.195CC..Hα-helixtrans-69.2-39.1-178.300000112.5D302 S330 S336 L337D302-G333 WeakPolarHBondContact OD1-CA 3.23Å; D302-G333 PolarHBondContact OD1-N 3.48Å; S330-G333 PolarHBondContact O-N 3.46Å; G333-S336 WeakPolarHBondContact O-CB 3.25Å; G333-S336 PolarHBondContact O-N 2.89Å; G333-L337 WeakPolarHBondContact O-CG 3.24Å; G333-L337 PolarHBondContact O-N 3.33Å
334L98.9Very high97.9Very high0 Ų034 Ų340%020%0.197CC..Hα-helixtrans-68.9-38.1178.3-70.2169.7000112.5I329 S330 S336 L337 A338 I352 N355 H356 L357 V361I329-L334 HydrophobicContact CB-CD2 4.31Å; I329-L334 HydrophobicContact CB-CG 4.16Å; I329-L334 HydrophobicContact CG2-CD2 4.17Å; I329-L334 HydrophobicContact CG2-CG 3.78Å; S330-L334 WeakPolarHBondContact O-CB 3.12Å; S330-L334 WeakPolarHBondContact O-CG 3.23Å; S330-L334 PolarHBondContact O-N 2.96Å; S330-L334 VanDerWaalsContact O-N 3.09Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-L337 HydrophobicContact CD2-CD1 4.46Å; L334-L337 PolarHBondContact O-N 2.99Å; L334-A338 PolarHBondContact O-N 3.41Å; L334-I352 HydrophobicContact CD2-CB 4Å; L334-I352 HydrophobicContact CD2-CD1 4.25Å; L334-I352 HydrophobicContact CD2-CG2 4.12Å; L334-N355 HydrophobicContact CD1-CB 3.97Å; L334-N355 HydrophobicContact CD2-CB 4.25Å; L334-H356 WeakPolarHBondContact CD1-O 3.24Å; L334-L357 HydrophobicContact CD1-CD2 3.84Å; L334-V361 HydrophobicContact CB-CB 4.44Å; L334-V361 HydrophobicContact CB-CG1 3.8Å; L334-V361 HydrophobicContact CB-CG2 3.73Å; L334-V361 HydrophobicContact CD1-CG1 4.04Å; L334-V361 HydrophobicContact CD1-CG2 4.04Å; L334-V361 HydrophobicContact CG-CG1 4.45Å
335L98.8Very high97.4Very high67 Ų6739.3 Ų39.335%0.35123%0.231SC..Hα-helixtrans-67.3-35172.1-70.7178.6000111.8T331 L337 A338 G339 P360 V361 A364T331-L335 HydrophobicContact CG2-CD1 3.72Å; T331-L335 HydrophobicContact CG2-CG 4.17Å; T331-L335 VanDerWaalsContact O-CB 3.3Å; T331-L335 WeakPolarHBondContact O-CB 3.28Å; T331-L335 WeakPolarHBondContact O-CG 3.36Å; T331-L335 PolarHBondContact O-N 3.39Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L335-A338 PolarHBondContact O-N 3.5Å; L335-G339 PolarHBondContact O-N 3.41Å; L335-P360 HydrophobicContact CD1-CB 4.38Å; L335-V361 HydrophobicContact CG-CG2 4.43Å; L335-A364 HydrophobicContact CD2-CB 3.69Å
336S98.8Very high97.2Very high39 Ų3940 Ų4027%0.27324%0.238SC..Hα-helixtrans-61.3-43172.7-61.10000111.8E306 S309 S332 G333 L334 G339 A340E306-S336 WeakPolarHBondContact CG-OG 3.33Å; S309-S336 PolarHBondContact OG-O 2.85Å; S332-S336 WeakPolarHBondContact O-CB 3.19Å; S332-S336 PolarHBondContact O-N 3.25Å; S332-S336 PolarHBondContact O-OG 2.87Å; G333-S336 WeakPolarHBondContact O-CB 3.25Å; G333-S336 PolarHBondContact O-N 2.89Å; L334-S336 VanDerWaalsContact C-N 3.33Å; S336-G339 PolarHBondContact O-N 3.28Å; S336-A340 PolarHBondContact O-N 3.4Å
337L98.7Very high97.2Very high1 Ų133.6 Ų33.61%0.00521%0.214CC..Hα-helixtrans-66.5-40.8175.9-73.6167.2000112.4A305 S309 L322 V324 I329 G333 L334 L335 G339 A340 L341 I350A305-L337 HydrophobicContact CB-CD1 3.97Å; A305-L337 HydrophobicContact CB-CG 4.21Å; S309-L337 WeakPolarHBondContact OG-CA 3.39Å; S309-L337 WeakPolarHBondContact OG-CD2 3.39Å; S309-L337 PolarHBondContact OG-N 2.84Å; L322-L337 HydrophobicContact CD2-CD2 3.99Å; V324-L337 HydrophobicContact CG2-CD1 3.84Å; I329-L337 HydrophobicContact CD1-CD1 4.31Å; G333-L337 WeakPolarHBondContact O-CG 3.24Å; G333-L337 PolarHBondContact O-N 3.33Å; L334-L337 HydrophobicContact CD2-CD1 4.46Å; L334-L337 PolarHBondContact O-N 2.99Å; L335-L337 VanDerWaalsContact C-N 3.34Å; L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.43Å; L337-A340 WeakPolarHBondContact O-CB 3.49Å; L337-A340 PolarHBondContact O-N 3.13Å; L337-L341 PolarHBondContact O-N 3.18Å; L337-I350 HydrophobicContact CB-CD1 3.91Å; L337-I350 HydrophobicContact CD2-CD1 4.4Å
338A98.4Very high97Very high7 Ų735.6 Ų35.66%0.05823%0.226CC..Hα-helixtrans-60.7-42.2172.900000111.4L334 L335 A340 L341 T342 A364 F365 L368L334-A338 PolarHBondContact O-N 3.41Å; L335-A338 PolarHBondContact O-N 3.5Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 2.84Å; A338-L341 WeakPolarHBondContact O-CB 3.49Å; A338-L341 PolarHBondContact O-N 2.99Å; A338-T342 PolarHBondContact O-N 2.86Å; A338-T342 PolarHBondContact O-OG1 3.16Å; A338-A364 HydrophobicContact CB-CB 4.22Å; A338-F365 HydrophobicContact CB-CE2 4.03Å; A338-L368 HydrophobicContact CB-CD1 3.99Å
339G98.1Very high97Very high27 Ų2734.3 Ų34.328%0.27822%0.218SC..Hα-helixtrans-61.3-39.4172.600000112.7L335 S336 L337 L341 T342 N343L335-G339 PolarHBondContact O-N 3.41Å; S336-G339 PolarHBondContact O-N 3.28Å; L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.43Å; G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 2.96Å; G339-T342 PolarHBondContact O-N 3.23Å; G339-N343 PolarHBondContact O-N 3.04Å; G339-N343 PolarHBondContact O-ND2 2.82Å
340A97.9Very high97Very high2 Ų234.3 Ų34.32%0.01722%0.218CC..Hα-helixtrans-63.1-38.4176.100000112.6I312 S336 L337 A338 T342 N343 S344I312-A340 HydrophobicContact CB-CB 4.35Å; I312-A340 HydrophobicContact CG2-CB 4.08Å; S336-A340 PolarHBondContact O-N 3.4Å; L337-A340 WeakPolarHBondContact O-CB 3.49Å; L337-A340 PolarHBondContact O-N 3.13Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 2.84Å; A340-T342 VanDerWaalsContact C-N 3.35Å; A340-N343 PolarHBondContact O-N 2.89Å; A340-S344 VanDerWaalsContact O-CB 3.24Å; A340-S344 WeakPolarHBondContact O-CB 3.3Å; A340-S344 PolarHBondContact O-N 3.22Å
341L96.4Very high97Very high0 Ų032.9 Ų32.90%021%0.206CC..Hα-helixtrans-61.1-43.5172.5-77.9159.4000112.1L337 A338 G339 N343 L347 I350 L368 R373 L374L337-L341 PolarHBondContact O-N 3.18Å; A338-L341 WeakPolarHBondContact O-CB 3.49Å; A338-L341 PolarHBondContact O-N 2.99Å; G339-L341 VanDerWaalsContact C-N 3.34Å; G339-L341 PolarHBondContact O-N 2.96Å; L341-N343 VanDerWaalsContact C-N 3.3Å; L341-N343 PolarHBondContact O-N 2.91Å; L341-L347 HydrophobicContact CD2-CB 4.11Å; L341-L347 HydrophobicContact CD2-CD2 3.53Å; L341-L347 HydrophobicContact CD2-CG 3.61Å; L341-L347 WeakPolarHBondContact CD2-O 3.35Å; L341-L347 HydrophobicContact CG-CD2 3.77Å; L341-L347 HydrophobicContact CG-CG 4.4Å; L341-I350 HydrophobicContact CD1-CB 4.04Å; L341-I350 HydrophobicContact CD1-CD1 3.9Å; L341-I350 HydrophobicContact CD1-CG2 3.61Å; L341-L368 HydrophobicContact CB-CD2 4.36Å; L341-L368 HydrophobicContact CD1-CD1 3.98Å; L341-R373 PolarHBondContact O-NE 2.8Å; L341-R373 PolarHBondContact O-NH2 3.02Å; L341-L374 HydrophobicContact CD1-CD1 4.06Å; L341-L374 HydrophobicContact CD1-CD2 4.49Å; L341-L374 HydrophobicContact CD1-CG 4.5Å; L341-L374 HydrophobicContact CD2-CD2 4.15Å
342T95.6Very high96.9Very high94 Ų9431.8 Ų31.858%0.57720%0.2SC*.Hα-helixtrans-62.4-38.6177.9-570000111.9A338 G339 A340A338-T342 PolarHBondContact O-N 2.86Å; A338-T342 PolarHBondContact O-OG1 3.16Å; G339-T342 PolarHBondContact O-N 3.23Å; A340-T342 VanDerWaalsContact C-N 3.35Å
343N94.4Very high96.9Very high118 Ų11831.5 Ų31.563%0.63119%0.189SC*.Hα-helixtrans-92.4-20.4-173.5-65.9-42.8000114.6G339 A340 L341G339-N343 PolarHBondContact O-N 3.04Å; G339-N343 PolarHBondContact O-ND2 2.82Å; A340-N343 PolarHBondContact O-N 2.89Å; L341-N343 VanDerWaalsContact C-N 3.3Å; L341-N343 PolarHBondContact O-N 2.91Å
344S93.3Very high96.9Very high10 Ų1033.1 Ų33.17%0.0721%0.206CC..  trans-116.8104.2-178.7-171.80000110.5I312 A340 A346 L347 R373I312-S344 WeakPolarHBondContact O-CB 3.35Å; I312-S344 PolarHBondContact O-OG 2.8Å; A340-S344 VanDerWaalsContact O-CB 3.24Å; A340-S344 WeakPolarHBondContact O-CB 3.3Å; A340-S344 PolarHBondContact O-N 3.22Å; S344-A346 PolarHBondContact O-N 2.71Å; S344-L347 PolarHBondContact O-N 3.03Å; S344-R373 PolarHBondContact O-NH2 3.15Å
345P88.9Confident96.9Very high112 Ų11233.8 Ų33.873%0.72721%0.209SC*.THydrogen-bonded Turntrans-70-15.7179.728.8-34.8000113
346A94.8Very high96.8Very high33 Ų3334.6 Ų34.627%0.27321%0.211SC..THydrogen-bonded Turntrans-68-38.2178.100000112.2L319 R320 S344 T348L319-A346 CarbonylContact O-C 3.45Å; R320-A346 WeakPolarHBondContact CA-O 3.01Å; S344-A346 PolarHBondContact O-N 2.71Å; A346-T348 PolarHBondContact O-N 2.64Å
347L97Very high96.8Very high0 Ų034.6 Ų34.60%021%0.208CC..  trans-74109.9179.7-174.567.8000109.5I312 L319 L322 L341 S344 R373I312-L347 HydrophobicContact CD1-CD2 4.27Å; I312-L347 HydrophobicContact CG2-CB 4.14Å; I312-L347 HydrophobicContact CG2-CD2 4.07Å; L319-L347 HydrophobicContact CD2-CD1 4.48Å; L319-L347 HydrophobicContact CG-CD1 4.42Å; L319-L347 VanDerWaalsContact O-CA 3.29Å; L319-L347 WeakPolarHBondContact O-CA 3.4Å; L319-L347 PolarHBondContact O-N 2.82Å; L322-L347 HydrophobicContact CB-CD1 4.04Å; L341-L347 HydrophobicContact CD2-CB 4.11Å; L341-L347 HydrophobicContact CD2-CD2 3.53Å; L341-L347 HydrophobicContact CD2-CG 3.61Å; L341-L347 WeakPolarHBondContact CD2-O 3.35Å; L341-L347 HydrophobicContact CG-CD2 3.77Å; L341-L347 HydrophobicContact CG-CG 4.4Å; S344-L347 PolarHBondContact O-N 3.03Å; L347-R373 PolarHBondContact O-NH1 2.91Å; L347-R373 PolarHBondContact O-NH2 3.33Å
348T96.1Very high96.7Very high43 Ų4339.9 Ų39.926%0.26423%0.233SC..  trans-107.1-28.8-174.450.70000112.8R320 A346 Q378R320-T348 PolarHBondContact O-N 3.28Å; R320-T348 PolarHBondContact O-OG1 3.26Å; R320-T348 VanDerWaalsContact O-OG1 3.06Å; A346-T348 PolarHBondContact O-N 2.64Å; T348-Q378 WeakPolarHBondContact O-CB 3.42Å; T348-Q378 PolarHBondContact O-OE1 3.38Å
349H97.6Very high96.7Very high43 Ų4343.1 Ų43.120%0.19925%0.247CC..EExtended strand (participates in β ladder)trans-124.7137.5-179.5-55.160.9000110.8R320 E321 L322 Y351 Q378R320-H349 PolarHBondContact O-N 3.46Å; E321-H349 WeakPolarHBondContact CA-O 3.34Å; E321-H349 HydrophobicContact CB-CB 4.06Å; E321-H349 HydrophobicContact CG-CB 3.86Å; L322-H349 PolarHBondContact N-O 3.14Å; L322-H349 VanDerWaalsContact N-O 3.11Å; H349-Y351 HydrophobicContact CB-CE2 3.81Å; H349-Q378 CarbonylContact C-O 3.47Å; H349-Q378 VanDerWaalsContact CA-O 3.22Å; H349-Q378 WeakPolarHBondContact CA-O 2.98Å
350I97.9Very high96.7Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-137.9135.9173.1-158.4170.4000110.9L322 L337 L341 I352 F365 L374 Q378 T379L322-I350 WeakPolarHBondContact O-CA 3.46Å; L337-I350 HydrophobicContact CB-CD1 3.91Å; L337-I350 HydrophobicContact CD2-CD1 4.4Å; L341-I350 HydrophobicContact CD1-CB 4.04Å; L341-I350 HydrophobicContact CD1-CD1 3.9Å; L341-I350 HydrophobicContact CD1-CG2 3.61Å; I350-I352 HydrophobicContact CD1-CG2 4.03Å; I350-I352 HydrophobicContact CG1-CG2 3.87Å; I350-F365 HydrophobicContact CG2-CE1 3.6Å; I350-F365 HydrophobicContact CG2-CZ 4.05Å; I350-L374 HydrophobicContact CG2-CD1 3.99Å; I350-L374 HydrophobicContact CG2-CD2 4.46Å; I350-Q378 PolarHBondContact N-O 2.85Å; I350-T379 WeakPolarHBondContact O-CA 3.46Å; I350-T379 VanDerWaalsContact O-CB 3.24Å; I350-T379 WeakPolarHBondContact O-CB 3.47Å; I350-T379 PolarHBondContact O-OG1 3.02Å
351Y98.4Very high96.7Very high10 Ų1044.9 Ų44.94%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-123.3119.6178-53.8-96.1000109.1L322 V324 C325 H349 D380 H397 H398 L399L322-Y351 PolarHBondContact O-N 3.44Å; V324-Y351 WeakPolarHBondContact CG2-O 3.47Å; V324-Y351 PolarHBondContact N-O 2.83Å; C325-Y351 PolarHBondContact N-O 3.36Å; C325-Y351 VanDerWaalsContact SG-CB 3.56Å; H349-Y351 HydrophobicContact CB-CE2 3.81Å; Y351-D380 VanDerWaalsContact CA-OD1 3.29Å; Y351-D380 WeakPolarHBondContact CA-OD1 3.16Å; Y351-D380 HydrophobicContact CD1-CB 3.84Å; Y351-H397 HydrophobicContact CE1-CB 3.88Å; Y351-H398 PolarHBondContact OH-O 2.78Å; Y351-L399 HydrophobicContact CD2-CD2 3.81Å; Y351-L399 HydrophobicContact CD2-CG 3.96Å; Y351-L399 HydrophobicContact CE2-CD2 3.47Å; Y351-L399 VanDerWaalsContact CE2-CD2 3.47Å; Y351-L399 HydrophobicContact CE2-CG 3.92Å
352I98.3Very high96.8Very high0 Ų045 Ų450%025%0.254CS..  trans-128.60.3-168.364.5158.8000114V324 L334 I350 N355 L357 V361 F365 D380 V381 L392V324-I352 HydrophobicContact CG2-CG2 3.99Å; L334-I352 HydrophobicContact CD2-CB 4Å; L334-I352 HydrophobicContact CD2-CD1 4.25Å; L334-I352 HydrophobicContact CD2-CG2 4.12Å; I350-I352 HydrophobicContact CD1-CG2 4.03Å; I350-I352 HydrophobicContact CG1-CG2 3.87Å; I352-N355 PolarHBondContact O-N 2.97Å; I352-N355 PolarHBondContact O-ND2 3.11Å; I352-L357 HydrophobicContact CD1-CD2 3.7Å; I352-L357 HydrophobicContact CG1-CD2 4.3Å; I352-V361 HydrophobicContact CD1-CG1 4.36Å; I352-F365 HydrophobicContact CD1-CD1 4.02Å; I352-F365 HydrophobicContact CD1-CD2 3.92Å; I352-F365 HydrophobicContact CD1-CE1 3.64Å; I352-F365 HydrophobicContact CD1-CE2 3.55Å; I352-F365 HydrophobicContact CD1-CG 4.16Å; I352-F365 HydrophobicContact CD1-CZ 3.41Å; I352-F365 VanDerWaalsContact CD1-CZ 3.41Å; I352-F365 HydrophobicContact CG1-CE1 4.11Å; I352-F365 HydrophobicContact CG1-CZ 4.14Å; I352-F365 HydrophobicContact CG2-CE1 4.42Å; I352-F365 HydrophobicContact CG2-CZ 3.98Å; I352-D380 PolarHBondContact N-OD1 2.85Å; I352-D380 PolarHBondContact N-OD2 3.42Å; I352-D380 VanDerWaalsContact N-OD2 3.15Å; I352-V381 HydrophobicContact CD1-CG1 4.45Å; I352-V381 HydrophobicContact CG1-CG1 3.93Å; I352-V381 HydrophobicContact CG1-CG2 4.44Å; I352-L392 HydrophobicContact CD1-CD1 4.4Å
353W98.2Very high96.9Very high56 Ų5644 Ų4421%0.21224%0.242CC..THydrogen-bonded Turntrans-59.1146.6-173.7-173.6-107.7000113.1C325 R326 N355 L357 D380 V381 L392 E394C325-W353 CarbonylContact C-O 3.37Å; C325-W353 WeakPolarHBondContact CA-O 3.38Å; C325-W353 VanDerWaalsContact CB-O 3.28Å; C325-W353 WeakPolarHBondContact CB-O 3.44Å; R326-W353 PolarHBondContact N-O 3.37Å; W353-N355 VanDerWaalsContact C-N 3.34Å; W353-L357 HydrophobicContact CE3-CD1 3.75Å; W353-L357 HydrophobicContact CZ3-CD1 3.92Å; W353-D380 WeakPolarHBondContact CA-OD2 3.25Å; W353-D380 HydrophobicContact CB-CB 4.34Å; W353-D380 WeakPolarHBondContact CB-OD2 3.49Å; W353-D380 PolarHBondContact N-OD1 3.24Å; W353-D380 PolarHBondContact N-OD2 2.73Å; W353-V381 HydrophobicContact CE3-CG1 3.94Å; W353-L392 WeakPolarHBondContact CZ3-O 3.45Å; W353-E394 HydrophobicContact CD2-CB 3.72Å; W353-E394 HydrophobicContact CD2-CG 3.78Å; W353-E394 VanDerWaalsContact CE2-CB 3.46Å; W353-E394 HydrophobicContact CE3-CB 4.02Å; W353-E394 HydrophobicContact CE3-CG 4.45Å; W353-E394 HydrophobicContact CG-CB 4.32Å; W353-E394 HydrophobicContact CG-CG 3.83Å; W353-E394 HydrophobicContact CH2-CB 3.86Å; W353-E394 HydrophobicContact CZ2-CB 3.55Å; W353-E394 HydrophobicContact CZ2-CG 4.28Å; W353-E394 HydrophobicContact CZ3-CB 4.08Å; W353-E394 PolarHBondContact NE1-OE1 3.31Å; W353-E394 PolarHBondContact NE1-OE2 3.39Å
354G97.5Very high97.1Very high34 Ų3439.5 Ų39.535%0.35122%0.222SC..THydrogen-bonded Turntrans77.814.5-179.500000115.1R326R326-G354 WeakPolarHBondContact CA-O 3.46Å
355N98.8Very high97.4Very high14 Ų1439 Ų398%0.07522%0.219CC..SBendtrans-95.3-176.9162.6-69.5-64.5000110.7V324 N327 N328 I329 L334 I352 W353 L357V324-N355 PolarHBondContact O-ND2 3.37Å; N327-N355 WeakPolarHBondContact CA-OD1 3.24Å; N327-N355 PolarHBondContact N-OD1 2.84Å; N328-N355 PolarHBondContact N-OD1 2.92Å; N328-N355 VanDerWaalsContact N-OD1 3.17Å; I329-N355 HydrophobicContact CB-CB 4.24Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.23Å; I329-N355 PolarHBondContact N-OD1 3.27Å; I329-N355 WeakPolarHBondContact O-CB 3.47Å; L334-N355 HydrophobicContact CD1-CB 3.97Å; L334-N355 HydrophobicContact CD2-CB 4.25Å; I352-N355 PolarHBondContact O-N 2.97Å; I352-N355 PolarHBondContact O-ND2 3.11Å; W353-N355 VanDerWaalsContact C-N 3.34Å; N355-L357 PolarHBondContact O-N 3.11Å; N355-L357 VanDerWaalsContact O-N 3.07Å
356H98.1Very high97.8Very high84 Ų8435.8 Ų35.839%0.38919%0.193SC..  trans-82.187.5178.9-53-68.2000110.7N328 I329 L334 E358N328-H356 PolarHBondContact OD1-NE2 3.36Å; I329-H356 PolarHBondContact O-CD2 3.19Å; I329-H356 PolarHBondContact O-N 3.11Å; L334-H356 WeakPolarHBondContact CD1-O 3.24Å; H356-E358 VanDerWaalsContact C-N 3.3Å; H356-E358 PolarHBondContact O-N 3.37Å
357L97.6Very high98Very high39 Ų3940.4 Ų40.420%0.20421%0.209CC..  trans-8269.1-177.2-53.8-176.6000111.6L334 I352 W353 N355 V361 C362 V381 L392L334-L357 HydrophobicContact CD1-CD2 3.84Å; I352-L357 HydrophobicContact CD1-CD2 3.7Å; I352-L357 HydrophobicContact CG1-CD2 4.3Å; W353-L357 HydrophobicContact CE3-CD1 3.75Å; W353-L357 HydrophobicContact CZ3-CD1 3.92Å; N355-L357 PolarHBondContact O-N 3.11Å; N355-L357 VanDerWaalsContact O-N 3.07Å; L357-V361 HydrophobicContact CD2-CG1 4.38Å; L357-C362 PolarHBondContact O-SG 2.91Å; L357-C362 VanDerWaalsContact O-SG 3.36Å; L357-V381 HydrophobicContact CD1-CG1 4.38Å; L357-L392 HydrophobicContact CD1-CB 4.06Å; L357-L392 HydrophobicContact CD1-CD1 4.14Å; L357-L392 HydrophobicContact CD2-CD1 4.43Å
358E97.3Very high98Very high112 Ų11240.9 Ų40.952%0.52321%0.211SC..  trans-72.1162.1174.2-61.9-179.9174.500111.9T331 H356 P360 V361 C362T331-E358 WeakPolarHBondContact OG1-CB 3.26Å; T331-E358 VanDerWaalsContact OG1-CD 3.29Å; T331-E358 PolarHBondContact OG1-OE2 3.34Å; H356-E358 VanDerWaalsContact C-N 3.3Å; H356-E358 PolarHBondContact O-N 3.37Å; E358-P360 VanDerWaalsContact C-CD 3.43Å; E358-P360 VanDerWaalsContact O-N 3.17Å; E358-V361 WeakPolarHBondContact O-CA 3.44Å; E358-V361 WeakPolarHBondContact O-CB 3.42Å; E358-V361 PolarHBondContact O-N 3.12Å; E358-C362 PolarHBondContact O-N 3.1Å; E358-C362 VanDerWaalsContact O-N 3.07Å; E358-C362 PolarHBondContact O-SG 3.13Å; E358-C362 VanDerWaalsContact O-SG 3.38Å
359E97.6Very high98.1Very high75 Ų7540.2 Ų40.235%0.3521%0.206SC..Hα-helixtrans-51.5-40.7-173.7-175.9171.2-155.500115.1V361 C362 Q363 H389 V390E359-V361 VanDerWaalsContact C-N 3.26Å; E359-V361 PolarHBondContact O-N 3.29Å; E359-C362 WeakPolarHBondContact O-CB 3.36Å; E359-C362 PolarHBondContact O-N 2.78Å; E359-C362 VanDerWaalsContact O-N 3.11Å; E359-Q363 HydrophobicContact CG-CG 4.23Å; E359-Q363 WeakPolarHBondContact O-CG 3.37Å; E359-Q363 PolarHBondContact O-N 3.47Å; E359-H389 VanDerWaalsContact OE1-CA 3.31Å; E359-H389 WeakPolarHBondContact OE1-CA 3.22Å; E359-H389 IonicContact OE1-CD2 3.63Å; E359-H389 IonicContact OE1-CG 3.87Å; E359-H389 IonicContact OE2-CD2 3.36Å; E359-H389 PolarHBondContact OE2-CD2 2.95Å; E359-V390 PolarHBondContact OE1-N 3.11Å
360P98.4Very high98.1Very high66 Ų6644 Ų4443%0.42923%0.228SC..Hα-helixtrans-58.6-37.7176.2-25.235.5000113.1T331 L335 E358 A364T331-P360 HydrophobicContact CG2-CB 3.98Å; T331-P360 HydrophobicContact CG2-CG 4.23Å; L335-P360 HydrophobicContact CD1-CB 4.38Å; E358-P360 VanDerWaalsContact C-CD 3.43Å; E358-P360 VanDerWaalsContact O-N 3.17Å; P360-A364 WeakPolarHBondContact O-CB 3.46Å; P360-A364 PolarHBondContact O-N 3.14Å
361V98.5Very high98.1Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-69.2-44.7175.3-177.80000110.1T331 L334 L335 I352 L357 E358 E359 Q363 A364 F365T331-V361 HydrophobicContact CG2-CG2 4.07Å; L334-V361 HydrophobicContact CB-CB 4.44Å; L334-V361 HydrophobicContact CB-CG1 3.8Å; L334-V361 HydrophobicContact CB-CG2 3.73Å; L334-V361 HydrophobicContact CD1-CG1 4.04Å; L334-V361 HydrophobicContact CD1-CG2 4.04Å; L334-V361 HydrophobicContact CG-CG1 4.45Å; L335-V361 HydrophobicContact CG-CG2 4.43Å; I352-V361 HydrophobicContact CD1-CG1 4.36Å; L357-V361 HydrophobicContact CD2-CG1 4.38Å; E358-V361 WeakPolarHBondContact O-CA 3.44Å; E358-V361 WeakPolarHBondContact O-CB 3.42Å; E358-V361 PolarHBondContact O-N 3.12Å; E359-V361 VanDerWaalsContact C-N 3.26Å; E359-V361 PolarHBondContact O-N 3.29Å; V361-Q363 VanDerWaalsContact C-N 3.28Å; V361-Q363 PolarHBondContact O-N 3.44Å; V361-A364 PolarHBondContact O-N 2.94Å; V361-A364 VanDerWaalsContact O-N 3.14Å; V361-F365 HydrophobicContact CG1-CD2 3.81Å; V361-F365 HydrophobicContact CG1-CE2 4.07Å; V361-F365 WeakPolarHBondContact O-CD2 3.45Å; V361-F365 PolarHBondContact O-N 3.28Å
362C98.6Very high98Very high2 Ų250.3 Ų50.31%0.01428%0.278CS..Hα-helixtrans-58-42.2178.2-60.40000111.7L357 E358 E359 K366 V390 L392L357-C362 PolarHBondContact O-SG 2.91Å; L357-C362 VanDerWaalsContact O-SG 3.36Å; E358-C362 PolarHBondContact O-N 3.1Å; E358-C362 VanDerWaalsContact O-N 3.07Å; E358-C362 PolarHBondContact O-SG 3.13Å; E358-C362 VanDerWaalsContact O-SG 3.38Å; E359-C362 WeakPolarHBondContact O-CB 3.36Å; E359-C362 PolarHBondContact O-N 2.78Å; E359-C362 VanDerWaalsContact O-N 3.11Å; C362-K366 VanDerWaalsContact O-CB 3.28Å; C362-K366 WeakPolarHBondContact O-CB 3.4Å; C362-K366 PolarHBondContact O-N 3.44Å; C362-V390 HydrophobicContact CB-CB 4.25Å; C362-V390 HydrophobicContact CB-CG1 3.89Å; C362-V390 WeakPolarHBondContact CB-O 3.3Å; C362-L392 HydrophobicContact CB-CG 4.07Å
363Q98.4Very high97.9Very high72 Ų7253.1 Ų53.134%0.33629%0.289SS..Hα-helixtrans-64.4-45.8174.2-67.4-694.400111.7E359 V361 F365 K366 E367 V390E359-Q363 HydrophobicContact CG-CG 4.23Å; E359-Q363 WeakPolarHBondContact O-CG 3.37Å; E359-Q363 PolarHBondContact O-N 3.47Å; V361-Q363 VanDerWaalsContact C-N 3.28Å; V361-Q363 PolarHBondContact O-N 3.44Å; Q363-F365 PolarHBondContact O-N 3.28Å; Q363-K366 WeakPolarHBondContact O-CB 3.15Å; Q363-K366 PolarHBondContact O-N 3.43Å; Q363-E367 WeakPolarHBondContact O-CB 3.31Å; Q363-E367 PolarHBondContact O-N 2.81Å; Q363-V390 VanDerWaalsContact CD-CG2 3.47Å; Q363-V390 HydrophobicContact CG-CB 4.38Å
364A98.5Very high97.8Very high25 Ų2550.5 Ų50.521%0.20728%0.279CS..Hα-helixtrans-59.4-44.1178.200000112.3L335 A338 P360 V361 E367 L368L335-A364 HydrophobicContact CD2-CB 3.69Å; A338-A364 HydrophobicContact CB-CB 4.22Å; P360-A364 WeakPolarHBondContact O-CB 3.46Å; P360-A364 PolarHBondContact O-N 3.14Å; V361-A364 PolarHBondContact O-N 2.94Å; V361-A364 VanDerWaalsContact O-N 3.14Å; A364-E367 WeakPolarHBondContact O-CB 3.24Å; A364-E367 PolarHBondContact O-N 2.84Å; A364-L368 WeakPolarHBondContact O-CG 3.35Å; A364-L368 PolarHBondContact O-N 3.15Å
365F98.3Very high97.7Very high0 Ų051.2 Ų51.20%028%0.276CS..Hα-helixtrans-71.9-33.5178-88.1-100.7000113A338 I350 I352 V361 Q363 L368 L369 L374 V381 L392A338-F365 HydrophobicContact CB-CE2 4.03Å; I350-F365 HydrophobicContact CG2-CE1 3.6Å; I350-F365 HydrophobicContact CG2-CZ 4.05Å; I352-F365 HydrophobicContact CD1-CD1 4.02Å; I352-F365 HydrophobicContact CD1-CD2 3.92Å; I352-F365 HydrophobicContact CD1-CE1 3.64Å; I352-F365 HydrophobicContact CD1-CE2 3.55Å; I352-F365 HydrophobicContact CD1-CG 4.16Å; I352-F365 HydrophobicContact CD1-CZ 3.41Å; I352-F365 VanDerWaalsContact CD1-CZ 3.41Å; I352-F365 HydrophobicContact CG1-CE1 4.11Å; I352-F365 HydrophobicContact CG1-CZ 4.14Å; I352-F365 HydrophobicContact CG2-CE1 4.42Å; I352-F365 HydrophobicContact CG2-CZ 3.98Å; V361-F365 HydrophobicContact CG1-CD2 3.81Å; V361-F365 HydrophobicContact CG1-CE2 4.07Å; V361-F365 WeakPolarHBondContact O-CD2 3.45Å; V361-F365 PolarHBondContact O-N 3.28Å; Q363-F365 PolarHBondContact O-N 3.28Å; F365-L368 PolarHBondContact O-N 2.83Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 2.92Å; F365-L374 HydrophobicContact CD1-CD1 4.19Å; F365-L374 HydrophobicContact CE1-CD1 4.13Å; F365-V381 HydrophobicContact CD1-CG2 3.76Å; F365-V381 HydrophobicContact CE1-CG2 4.42Å; F365-V381 HydrophobicContact CG-CG2 4.41Å; F365-L392 HydrophobicContact CB-CD1 4.1Å; F365-L392 HydrophobicContact CB-CD2 4.12Å; F365-L392 HydrophobicContact CG-CD1 4.42Å
366K98.4Very high97.4Very high43 Ų4353.9 Ų53.919%0.18730%0.295CS..Hα-helixtrans-61.5-43.8169.7-178.9-174174.1-166.60111.6C362 Q363 L369 N370 P383 E385 V390C362-K366 VanDerWaalsContact O-CB 3.28Å; C362-K366 WeakPolarHBondContact O-CB 3.4Å; C362-K366 PolarHBondContact O-N 3.44Å; Q363-K366 WeakPolarHBondContact O-CB 3.15Å; Q363-K366 PolarHBondContact O-N 3.43Å; K366-L369 PolarHBondContact O-N 3.11Å; K366-N370 WeakPolarHBondContact O-CB 3.36Å; K366-N370 PolarHBondContact O-N 2.99Å; K366-P383 HydrophobicContact CB-CB 3.84Å; K366-P383 HydrophobicContact CB-CG 4.16Å; K366-P383 HydrophobicContact CG-CB 4.02Å; K366-P383 HydrophobicContact CG-CG 4.17Å; K366-E385 WeakPolarHBondContact CE-OE1 3.43Å; K366-E385 IonicContact NZ-OE1 3.02Å; K366-E385 PolarHBondContact NZ-OE1 3.01Å; K366-V390 HydrophobicContact CB-CG1 4.24Å; K366-V390 HydrophobicContact CD-CG1 3.85Å; K366-V390 HydrophobicContact CD-CG2 3.87Å
367E98.3Very high97.2Very high130 Ų13055.6 Ų55.661%0.60730%0.303SS*.Hα-helixtrans-60.5-46.9175.4-170.295.9-167.900111.2Q363 A364 L369 N370 T371Q363-E367 WeakPolarHBondContact O-CB 3.31Å; Q363-E367 PolarHBondContact O-N 2.81Å; A364-E367 WeakPolarHBondContact O-CB 3.24Å; A364-E367 PolarHBondContact O-N 2.84Å; E367-L369 VanDerWaalsContact C-N 3.29Å; E367-L369 PolarHBondContact O-N 3.02Å; E367-N370 PolarHBondContact O-N 3.38Å; E367-T371 HydrophobicContact CG-CG2 4.41Å; E367-T371 WeakPolarHBondContact O-CB 3.3Å; E367-T371 VanDerWaalsContact O-CG2 3.29Å; E367-T371 WeakPolarHBondContact O-CG2 3.42Å; E367-T371 PolarHBondContact O-N 3.36Å; E367-T371 PolarHBondContact O-OG1 3.08Å
368L98.3Very high97.1Very high10 Ų1055.7 Ų55.75%0.05230%0.302CS..Hα-helixtrans-58.6-39.7177.4-72.2170.6000112.4A338 L341 A364 F365 T371 R373 L374A338-L368 HydrophobicContact CB-CD1 3.99Å; L341-L368 HydrophobicContact CB-CD2 4.36Å; L341-L368 HydrophobicContact CD1-CD1 3.98Å; A364-L368 WeakPolarHBondContact O-CG 3.35Å; A364-L368 PolarHBondContact O-N 3.15Å; F365-L368 PolarHBondContact O-N 2.83Å; L368-T371 PolarHBondContact O-OG1 3.02Å; L368-R373 HydrophobicContact CD2-CB 4.02Å; L368-R373 HydrophobicContact CD2-CG 3.7Å; L368-R373 WeakPolarHBondContact O-CA 3.48Å; L368-R373 WeakPolarHBondContact O-CB 3.48Å; L368-R373 PolarHBondContact O-N 3.38Å; L368-L374 HydrophobicContact CB-CD1 4.06Å; L368-L374 HydrophobicContact CB-CG 4.32Å; L368-L374 HydrophobicContact CD1-CD1 4.11Å; L368-L374 PolarHBondContact O-N 3.27Å
369L97.8Very high97.1Very high30 Ų3050.4 Ų50.416%0.15728%0.277CS..Hα-helixtrans-73-42.5176.3-72.4162.9000112.2F365 K366 E367 T371 G372 L374 T379 P383F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 2.92Å; K366-L369 PolarHBondContact O-N 3.11Å; E367-L369 VanDerWaalsContact C-N 3.29Å; E367-L369 PolarHBondContact O-N 3.02Å; L369-T371 VanDerWaalsContact C-N 3.33Å; L369-T371 PolarHBondContact O-N 2.99Å; L369-G372 PolarHBondContact O-N 2.77Å; L369-G372 VanDerWaalsContact O-N 3.1Å; L369-L374 HydrophobicContact CD2-CB 3.94Å; L369-L374 HydrophobicContact CG-CB 4.38Å; L369-T379 HydrophobicContact CD2-CG2 4.33Å; L369-P383 HydrophobicContact CD1-CG 3.8Å
370N97.6Very high97.1Very high121 Ų12147 Ų4765%0.64726%0.262SS*.Hα-helixtrans-65.5-35.8-179.7-76.2-11.3000112.8K366 E367 G372K366-N370 WeakPolarHBondContact O-CB 3.36Å; K366-N370 PolarHBondContact O-N 2.99Å; E367-N370 PolarHBondContact O-N 3.38Å; N370-G372 PolarHBondContact O-N 3.39Å
371T96.8Very high97.1Very high92 Ų9244 Ų4456%0.56424%0.242SC*.THydrogen-bonded Turntrans-76.6-7.6176.155.40000112.8E367 L368 L369 R373E367-T371 HydrophobicContact CG-CG2 4.41Å; E367-T371 WeakPolarHBondContact O-CB 3.3Å; E367-T371 VanDerWaalsContact O-CG2 3.29Å; E367-T371 WeakPolarHBondContact O-CG2 3.42Å; E367-T371 PolarHBondContact O-N 3.36Å; E367-T371 PolarHBondContact O-OG1 3.08Å; L368-T371 PolarHBondContact O-OG1 3.02Å; L369-T371 VanDerWaalsContact C-N 3.33Å; L369-T371 PolarHBondContact O-N 2.99Å; T371-R373 PolarHBondContact O-N 3.45Å
372G96.1Very high97Very high52 Ų5251.3 Ų51.354%0.53627%0.27SS..THydrogen-bonded Turntrans72.411.9-174.100000113.5L369 N370 L374L369-G372 PolarHBondContact O-N 2.77Å; L369-G372 VanDerWaalsContact O-N 3.1Å; N370-G372 PolarHBondContact O-N 3.39Å; G372-L374 VanDerWaalsContact C-N 3.28Å
373R96.5Very high97Very high58 Ų5852.7 Ų52.722%0.21928%0.278CS..SBendtrans-67.2-33.6175.1178.757.9-167.893-5.1111.5L341 S344 L347 L368 T371L341-R373 PolarHBondContact O-NE 2.8Å; L341-R373 PolarHBondContact O-NH2 3.02Å; S344-R373 PolarHBondContact O-NH2 3.15Å; L347-R373 PolarHBondContact O-NH1 2.91Å; L347-R373 PolarHBondContact O-NH2 3.33Å; L368-R373 HydrophobicContact CD2-CB 4.02Å; L368-R373 HydrophobicContact CD2-CG 3.7Å; L368-R373 WeakPolarHBondContact O-CA 3.48Å; L368-R373 WeakPolarHBondContact O-CB 3.48Å; L368-R373 PolarHBondContact O-N 3.38Å; T371-R373 PolarHBondContact O-N 3.45Å
374L96.1Very high97Very high1 Ų154.5 Ų54.51%0.00528%0.283CS..SBendtrans-117.2144.2165-74.3174.3000109L341 I350 F365 L368 L369 G372 Q378L341-L374 HydrophobicContact CD1-CD1 4.06Å; L341-L374 HydrophobicContact CD1-CD2 4.49Å; L341-L374 HydrophobicContact CD1-CG 4.5Å; L341-L374 HydrophobicContact CD2-CD2 4.15Å; I350-L374 HydrophobicContact CG2-CD1 3.99Å; I350-L374 HydrophobicContact CG2-CD2 4.46Å; F365-L374 HydrophobicContact CD1-CD1 4.19Å; F365-L374 HydrophobicContact CE1-CD1 4.13Å; L368-L374 HydrophobicContact CB-CD1 4.06Å; L368-L374 HydrophobicContact CB-CG 4.32Å; L368-L374 HydrophobicContact CD1-CD1 4.11Å; L368-L374 PolarHBondContact O-N 3.27Å; L369-L374 HydrophobicContact CD2-CB 3.94Å; L369-L374 HydrophobicContact CG-CB 4.38Å; G372-L374 VanDerWaalsContact C-N 3.28Å; L374-Q378 HydrophobicContact CD2-CB 4.13Å
375T95.4Very high96.9Very high49 Ų4959 Ų5930%0.30130%0.3SS..  trans-98.5161.3164.179.40000110.7E377 Q378T375-E377 WeakPolarHBondContact CB-OE2 3.17Å; T375-E377 PolarHBondContact O-N 2.94Å; T375-E377 VanDerWaalsContact O-N 3.15Å; T375-E377 PolarHBondContact OG1-OE2 2.85Å; T375-Q378 WeakPolarHBondContact O-CB 3.12Å; T375-Q378 PolarHBondContact O-N 2.97Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.4Å
376P93.5Very high96.8Very high71 Ų7162.2 Ų62.246%0.46132%0.319SS..G310 helixtrans-57-28.2178.8-27.136.8000114.6Q378 H397P376-Q378 VanDerWaalsContact C-N 3.29Å; P376-H397 PolarHBondContact O-CE1 3.41Å; P376-H397 PolarHBondContact O-ND1 3.44Å; P376-H397 VanDerWaalsContact O-ND1 3.09Å
377E93.3Very high96.7Very high120 Ų12067.4 Ų67.456%0.56135%0.349SS*.G310 helixtrans-79.1-15.1178.3-54.971.3-151.100112.5T375 T379T375-E377 WeakPolarHBondContact CB-OE2 3.17Å; T375-E377 PolarHBondContact O-N 2.94Å; T375-E377 VanDerWaalsContact O-N 3.15Å; T375-E377 PolarHBondContact OG1-OE2 2.85Å; E377-T379 VanDerWaalsContact C-N 3.35Å
378Q95.8Very high96.5Very high41 Ų4164.3 Ų64.319%0.19235%0.352CS..G310 helixtrans-92.65.1-176.3-70.6174.4-20.200113.6T348 H349 I350 L374 T375 P376T348-Q378 WeakPolarHBondContact O-CB 3.42Å; T348-Q378 PolarHBondContact O-OE1 3.38Å; H349-Q378 CarbonylContact C-O 3.47Å; H349-Q378 VanDerWaalsContact CA-O 3.22Å; H349-Q378 WeakPolarHBondContact CA-O 2.98Å; I350-Q378 PolarHBondContact N-O 2.85Å; L374-Q378 HydrophobicContact CD2-CB 4.13Å; T375-Q378 WeakPolarHBondContact O-CB 3.12Å; T375-Q378 PolarHBondContact O-N 2.97Å; T375-Q378 WeakPolarHBondContact OG1-CG 3.4Å; P376-Q378 VanDerWaalsContact C-N 3.29Å
379T97.2Very high96.4Very high0 Ų068.2 Ų68.20%037%0.37CS..BIsolated β-bridgetrans-152.3164.4179.7-166.60000112.5I350 L369 E377 V381 H397I350-T379 WeakPolarHBondContact O-CA 3.46Å; I350-T379 VanDerWaalsContact O-CB 3.24Å; I350-T379 WeakPolarHBondContact O-CB 3.47Å; I350-T379 PolarHBondContact O-OG1 3.02Å; L369-T379 HydrophobicContact CD2-CG2 4.33Å; E377-T379 VanDerWaalsContact C-N 3.35Å; T379-V381 HydrophobicContact CG2-CG2 4.09Å; T379-V381 WeakPolarHBondContact CG2-O 3.15Å; T379-H397 PolarHBondContact O-ND1 3.16Å
380D97.6Very high96.5Very high5 Ų566.9 Ų66.93%0.02736%0.363CS..SBendtrans-94.29.8174.255-4.9000113.3C325 Y351 I352 W353 E394 L395C325-D380 PolarHBondContact SG-OD2 2.83Å; Y351-D380 VanDerWaalsContact CA-OD1 3.29Å; Y351-D380 WeakPolarHBondContact CA-OD1 3.16Å; Y351-D380 HydrophobicContact CD1-CB 3.84Å; I352-D380 PolarHBondContact N-OD1 2.85Å; I352-D380 PolarHBondContact N-OD2 3.42Å; I352-D380 VanDerWaalsContact N-OD2 3.15Å; W353-D380 WeakPolarHBondContact CA-OD2 3.25Å; W353-D380 HydrophobicContact CB-CB 4.34Å; W353-D380 WeakPolarHBondContact CB-OD2 3.49Å; W353-D380 PolarHBondContact N-OD1 3.24Å; W353-D380 PolarHBondContact N-OD2 2.73Å; D380-E394 CarbonylContact O-C 3.38Å; D380-E394 WeakPolarHBondContact O-CA 3.26Å; D380-L395 PolarHBondContact O-N 3.05Å
381V97.8Very high96.5Very high1 Ų165.2 Ų65.21%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-124.9142.8-177.7-60.40000113.5I352 W353 L357 F365 T379 L392 A393I352-V381 HydrophobicContact CD1-CG1 4.45Å; I352-V381 HydrophobicContact CG1-CG1 3.93Å; I352-V381 HydrophobicContact CG1-CG2 4.44Å; W353-V381 HydrophobicContact CE3-CG1 3.94Å; L357-V381 HydrophobicContact CD1-CG1 4.38Å; F365-V381 HydrophobicContact CD1-CG2 3.76Å; F365-V381 HydrophobicContact CE1-CG2 4.42Å; F365-V381 HydrophobicContact CG-CG2 4.41Å; T379-V381 HydrophobicContact CG2-CG2 4.09Å; T379-V381 WeakPolarHBondContact CG2-O 3.15Å; V381-L392 HydrophobicContact CB-CB 4.12Å; V381-L392 HydrophobicContact CB-CD1 4.15Å; V381-L392 HydrophobicContact CB-CD2 4.11Å; V381-L392 HydrophobicContact CB-CG 4.34Å; V381-L392 HydrophobicContact CG1-CB 4.37Å; V381-L392 HydrophobicContact CG1-CD1 4.3Å; V381-L392 HydrophobicContact CG2-CD1 4.08Å; V381-L392 HydrophobicContact CG2-CD2 4.09Å; V381-A393 CarbonylContact C-O 3.57Å; V381-A393 WeakPolarHBondContact CA-O 3.41Å
382R97.7Very high96.5Very high154 Ų15461.3 Ų61.358%0.58133%0.326SS*.EExtended strand (participates in β ladder)trans-126.6125.6171.4-174.1177.864.4175.5-0.7111.2L392 A393 L395R382-L392 WeakPolarHBondContact O-CA 3.26Å; R382-A393 PolarHBondContact N-O 3.39Å; R382-A393 PolarHBondContact O-N 3.49Å; R382-L395 HydrophobicContact CB-CD1 4.09Å; R382-L395 HydrophobicContact CB-CD2 3.99Å; R382-L395 HydrophobicContact CB-CG 4.05Å
383P97.9Very high96.6Very high31 Ų3160.1 Ų60.120%0.20131%0.311CS..EExtended strand (participates in β ladder)trans-70.5145.3177.829.6-35.5000112K366 L369 V390 F391 L392K366-P383 HydrophobicContact CB-CB 3.84Å; K366-P383 HydrophobicContact CB-CG 4.16Å; K366-P383 HydrophobicContact CG-CB 4.02Å; K366-P383 HydrophobicContact CG-CG 4.17Å; L369-P383 HydrophobicContact CD1-CG 3.8Å; P383-V390 HydrophobicContact CB-CG1 4.27Å; P383-F391 CarbonylContact C-O 3.53Å; P383-F391 VanDerWaalsContact CA-O 3.23Å; P383-F391 WeakPolarHBondContact CA-O 3.27Å; P383-L392 HydrophobicContact CB-CD2 4.02Å
384Y97.8Very high96.6Very high111 Ų11160.9 Ų60.944%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-146.2159169.168.9-81.5000110V386 F391 A393Y384-V386 HydrophobicContact CD2-CG2 3.81Å; Y384-V386 HydrophobicContact CE2-CG2 3.68Å; Y384-F391 HydrophobicContact CD1-CB 3.97Å; Y384-F391 HydrophobicContact CD2-CB 4.27Å; Y384-F391 HydrophobicContact CE1-CB 3.41Å; Y384-F391 VanDerWaalsContact CE1-CB 3.41Å; Y384-F391 HydrophobicContact CE2-CB 3.76Å; Y384-F391 HydrophobicContact CE2-CD2 4.14Å; Y384-F391 HydrophobicContact CE2-CG 4.2Å; Y384-F391 HydrophobicContact CG-CB 4.37Å; Y384-F391 PolarHBondContact N-O 3.23Å; Y384-F391 PolarHBondContact O-N 3.34Å; Y384-A393 HydrophobicContact CD1-CB 3.89Å; Y384-A393 HydrophobicContact CE1-CB 3.83Å
385E97.4Very high96.5Very high119 Ų11962.3 Ų62.356%0.55632%0.324SS*.EExtended strand (participates in β ladder)trans-115.2137.4-177.6-77.4176.8-157.800111.4K366 H389 V390K366-E385 WeakPolarHBondContact CE-OE1 3.43Å; K366-E385 IonicContact NZ-OE1 3.02Å; K366-E385 PolarHBondContact NZ-OE1 3.01Å; E385-H389 WeakPolarHBondContact CA-O 3.23Å; E385-V390 HydrophobicContact CG-CG2 3.81Å
386V96.5Very high96.2Very high67 Ų6768.1 Ų68.141%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-138.1124.7171-175.60000107.9Y384 G388 H389 F391Y384-V386 HydrophobicContact CD2-CG2 3.81Å; Y384-V386 HydrophobicContact CE2-CG2 3.68Å; V386-G388 PolarHBondContact O-N 3.46Å; V386-G388 VanDerWaalsContact O-N 3.13Å; V386-H389 PolarHBondContact N-O 3.35Å; V386-H389 PolarHBondContact O-N 3.18Å; V386-F391 HydrophobicContact CB-CD2 4.23Å; V386-F391 HydrophobicContact CB-CE2 3.91Å; V386-F391 HydrophobicContact CG2-CD2 4.28Å; V386-F391 HydrophobicContact CG2-CE2 4.41Å
387D95.4Very high95.9Very high152 Ų15268.4 Ų68.481%0.81334%0.341SS*.THydrogen-bonded Turntrans50.139.8177.7-57.6-33.9000114.3H389D387-H389 VanDerWaalsContact C-N 3.27Å; D387-H389 PolarHBondContact O-N 2.99Å; D387-H389 PolarHBondContact O-ND1 3.31Å
388G94.2Very high95.2Very high65 Ų6569.7 Ų69.767%0.6735%0.347SS*.THydrogen-bonded Turntrans79.2-0.3179.800000115.6V386V386-G388 PolarHBondContact O-N 3.46Å; V386-G388 VanDerWaalsContact O-N 3.13Å
389H96.9Very high94.6Very high92 Ų9268.3 Ų68.343%0.42634%0.34SS..EExtended strand (participates in β ladder)trans-102.8143.7176.9-5877.9000110.7E359 E385 V386 D387 F391E359-H389 VanDerWaalsContact OE1-CA 3.31Å; E359-H389 WeakPolarHBondContact OE1-CA 3.22Å; E359-H389 IonicContact OE1-CD2 3.63Å; E359-H389 IonicContact OE1-CG 3.87Å; E359-H389 IonicContact OE2-CD2 3.36Å; E359-H389 PolarHBondContact OE2-CD2 2.95Å; E385-H389 WeakPolarHBondContact CA-O 3.23Å; V386-H389 PolarHBondContact N-O 3.35Å; V386-H389 PolarHBondContact O-N 3.18Å; D387-H389 VanDerWaalsContact C-N 3.27Å; D387-H389 PolarHBondContact O-N 2.99Å; D387-H389 PolarHBondContact O-ND1 3.31Å; H389-F391 HydrophobicContact CB-CE2 3.71Å; H389-F391 HydrophobicContact CB-CZ 3.96Å
390V98.1Very high93.7Very high3 Ų371.5 Ų71.52%0.01835%0.352CS..EExtended strand (participates in β ladder)trans-98.3133.2179.9-178.70000110.8E359 C362 Q363 K366 P383 E385E359-V390 PolarHBondContact OE1-N 3.11Å; C362-V390 HydrophobicContact CB-CB 4.25Å; C362-V390 HydrophobicContact CB-CG1 3.89Å; C362-V390 WeakPolarHBondContact CB-O 3.3Å; Q363-V390 VanDerWaalsContact CD-CG2 3.47Å; Q363-V390 HydrophobicContact CG-CB 4.38Å; K366-V390 HydrophobicContact CB-CG1 4.24Å; K366-V390 HydrophobicContact CD-CG1 3.85Å; K366-V390 HydrophobicContact CD-CG2 3.87Å; P383-V390 HydrophobicContact CB-CG1 4.27Å; E385-V390 HydrophobicContact CG-CG2 3.81Å
391F98.3Very high92.4Very high85 Ų8575.4 Ų75.437%0.37337%0.369SS..EExtended strand (participates in β ladder)trans-126.4164.1177.2-60-85.8000110.4P383 Y384 V386 H389P383-F391 CarbonylContact C-O 3.53Å; P383-F391 VanDerWaalsContact CA-O 3.23Å; P383-F391 WeakPolarHBondContact CA-O 3.27Å; Y384-F391 HydrophobicContact CD1-CB 3.97Å; Y384-F391 HydrophobicContact CD2-CB 4.27Å; Y384-F391 HydrophobicContact CE1-CB 3.41Å; Y384-F391 VanDerWaalsContact CE1-CB 3.41Å; Y384-F391 HydrophobicContact CE2-CB 3.76Å; Y384-F391 HydrophobicContact CE2-CD2 4.14Å; Y384-F391 HydrophobicContact CE2-CG 4.2Å; Y384-F391 HydrophobicContact CG-CB 4.37Å; Y384-F391 PolarHBondContact N-O 3.23Å; Y384-F391 PolarHBondContact O-N 3.34Å; V386-F391 HydrophobicContact CB-CD2 4.23Å; V386-F391 HydrophobicContact CB-CE2 3.91Å; V386-F391 HydrophobicContact CG2-CD2 4.28Å; V386-F391 HydrophobicContact CG2-CE2 4.41Å; H389-F391 HydrophobicContact CB-CE2 3.71Å; H389-F391 HydrophobicContact CB-CZ 3.96Å
392L98.1Very high91.1Very high11 Ų1176.4 Ų76.46%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-115.2136.1173.7-66.7174.3000110.1I352 W353 L357 C362 F365 V381 R382 P383I352-L392 HydrophobicContact CD1-CD1 4.4Å; W353-L392 WeakPolarHBondContact CZ3-O 3.45Å; L357-L392 HydrophobicContact CD1-CB 4.06Å; L357-L392 HydrophobicContact CD1-CD1 4.14Å; L357-L392 HydrophobicContact CD2-CD1 4.43Å; C362-L392 HydrophobicContact CB-CG 4.07Å; F365-L392 HydrophobicContact CB-CD1 4.1Å; F365-L392 HydrophobicContact CB-CD2 4.12Å; F365-L392 HydrophobicContact CG-CD1 4.42Å; V381-L392 HydrophobicContact CB-CB 4.12Å; V381-L392 HydrophobicContact CB-CD1 4.15Å; V381-L392 HydrophobicContact CB-CD2 4.11Å; V381-L392 HydrophobicContact CB-CG 4.34Å; V381-L392 HydrophobicContact CG1-CB 4.37Å; V381-L392 HydrophobicContact CG1-CD1 4.3Å; V381-L392 HydrophobicContact CG2-CD1 4.08Å; V381-L392 HydrophobicContact CG2-CD2 4.09Å; R382-L392 WeakPolarHBondContact O-CA 3.26Å; P383-L392 HydrophobicContact CB-CD2 4.02Å
393A97.5Very high89.8Confident27 Ų2769.5 Ų69.522%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-109.1147.4173.700000110.9V381 R382 Y384V381-A393 CarbonylContact C-O 3.57Å; V381-A393 WeakPolarHBondContact CA-O 3.41Å; R382-A393 PolarHBondContact N-O 3.39Å; R382-A393 PolarHBondContact O-N 3.49Å; Y384-A393 HydrophobicContact CD1-CB 3.89Å; Y384-A393 HydrophobicContact CE1-CB 3.83Å
394E97Very high87.9Confident74 Ų7471.7 Ų71.735%0.34636%0.355SS..EExtended strand (participates in β ladder)trans-66134.2178.1-162.4168.4-167.400110.9W353 D380W353-E394 HydrophobicContact CD2-CB 3.72Å; W353-E394 HydrophobicContact CD2-CG 3.78Å; W353-E394 VanDerWaalsContact CE2-CB 3.46Å; W353-E394 HydrophobicContact CE3-CB 4.02Å; W353-E394 HydrophobicContact CE3-CG 4.45Å; W353-E394 HydrophobicContact CG-CB 4.32Å; W353-E394 HydrophobicContact CG-CG 3.83Å; W353-E394 HydrophobicContact CH2-CB 3.86Å; W353-E394 HydrophobicContact CZ2-CB 3.55Å; W353-E394 HydrophobicContact CZ2-CG 4.28Å; W353-E394 HydrophobicContact CZ3-CB 4.08Å; W353-E394 PolarHBondContact NE1-OE1 3.31Å; W353-E394 PolarHBondContact NE1-OE2 3.39Å; D380-E394 CarbonylContact O-C 3.38Å; D380-E394 WeakPolarHBondContact O-CA 3.26Å
395L94.1Very high85.8Confident30 Ų3070.9 Ų70.916%0.15735%0.354CS..  trans-106.7138.6158.8-58.1177.4000107.3D380 R382 H397D380-L395 PolarHBondContact O-N 3.05Å; R382-L395 HydrophobicContact CB-CD1 4.09Å; R382-L395 HydrophobicContact CB-CD2 3.99Å; R382-L395 HydrophobicContact CB-CG 4.05Å; L395-H397 PolarHBondContact O-N 3.47Å
396F87.6Confident82.9Confident172 Ų17271.7 Ų71.775%0.75437%0.367SS*.  trans-79.642.5178.9-63.4-76000112.3
397H86.9Confident82.3Confident77 Ų7771.9 Ų71.936%0.35637%0.365SS..  trans-86.5148.8170.5-57.1156.4000109.3Y351 P376 T379 L395Y351-H397 HydrophobicContact CE1-CB 3.88Å; P376-H397 PolarHBondContact O-CE1 3.41Å; P376-H397 PolarHBondContact O-ND1 3.44Å; P376-H397 VanDerWaalsContact O-ND1 3.09Å; T379-H397 PolarHBondContact O-ND1 3.16Å; L395-H397 PolarHBondContact O-N 3.47Å
398H79.8Confident81.6Confident147 Ų14767.7 Ų67.768%0.68134%0.341SS*.  trans-143.7158.1179.344.2-82.4000108.2Y351 R400Y351-H398 PolarHBondContact OH-O 2.78Å; H398-R400 PolarHBondContact O-N 2.93Å
399L82.9Confident80.9Confident11 Ų1167.8 Ų67.86%0.05832%0.323CS..  trans-51139.9167.9-74.4172.9000109.4V292 D294 E321 Y351 K401V292-L399 HydrophobicContact CG1-CD1 4.18Å; V292-L399 HydrophobicContact CG1-CD2 3.92Å; D294-L399 HydrophobicContact CB-CD1 3.54Å; E321-L399 HydrophobicContact CB-CD2 3.47Å; E321-L399 VanDerWaalsContact CB-CD2 3.47Å; E321-L399 HydrophobicContact CG-CD2 4.47Å; E321-L399 WeakPolarHBondContact OE2-CD2 3.43Å; Y351-L399 HydrophobicContact CD2-CD2 3.81Å; Y351-L399 HydrophobicContact CD2-CG 3.96Å; Y351-L399 HydrophobicContact CE2-CD2 3.47Å; Y351-L399 VanDerWaalsContact CE2-CD2 3.47Å; Y351-L399 HydrophobicContact CE2-CG 3.92Å; L399-K401 PolarHBondContact O-N 3.1Å
400R78.9Confident79.9Confident67 Ų6766.4 Ų66.425%0.25332%0.317SS..  trans-52.8139.9170.456.7178.9162176.1-8.6109.3Y264 E321 H398 H402 T406Y264-R400 HydrophobicContact CE2-CG 4.47Å; Y264-R400 WeakPolarHBondContact CE2-O 3.45Å; Y264-R400 PolarHBondContact OH-O 3.2Å; E321-R400 IonicContact OE1-CZ 2.86Å; E321-R400 IonicContact OE1-NE 3.74Å; E321-R400 PolarHBondContact OE1-NE 2.86Å; E321-R400 IonicContact OE1-NH2 3.9Å; E321-R400 PolarHBondContact OE1-NH2 3.07Å; E321-R400 IonicContact OE2-NE 2.99Å; H398-R400 PolarHBondContact O-N 2.93Å; R400-H402 VanDerWaalsContact C-N 3.34Å; R400-H402 WeakPolarHBondContact CD-O 3.44Å; R400-T406 PolarHBondContact NH1-OG1 3.3Å
401K69.6Low78.8Confident88 Ų8870.4 Ų70.438%0.38334%0.336SS..SBendtrans-71.2-33.9179.7-164.4-174.5176.4-148.10111.6E179 H238 L399E179-K401 IonicContact OE1-NZ 3.85Å; E179-K401 PolarHBondContact OE1-NZ 3.43Å; E179-K401 IonicContact OE2-NZ 3.22Å; E179-K401 PolarHBondContact OE2-NZ 3.4Å; H238-K401 PolarHBondContact CE1-O 2.93Å; L399-K401 PolarHBondContact O-N 3.1Å
402H70.5Confident77.5Confident21 Ų2169.4 Ų69.410%0.09733%0.333CS..  trans-134.3139.3-179.6-55-72.1000110.7E177 E179 E236 R400 F405E177-H402 IonicContact OE1-CE1 3.76Å; E177-H402 PolarHBondContact OE1-CE1 3.34Å; E177-H402 IonicContact OE1-NE2 3.89Å; E179-H402 IonicContact OE1-CE1 3.73Å; E179-H402 PolarHBondContact OE1-CE1 3.06Å; E179-H402 IonicContact OE1-NE2 2.78Å; E179-H402 PolarHBondContact OE1-NE2 2.97Å; E179-H402 VanDerWaalsContact OE1-NE2 3.11Å; E236-H402 WeakPolarHBondContact OE1-CA 3.45Å; E236-H402 IonicContact OE2-CG 2.68Å; E236-H402 IonicContact OE2-ND1 2.73Å; E236-H402 PolarHBondContact OE2-ND1 3.49Å; R400-H402 VanDerWaalsContact C-N 3.34Å; R400-H402 WeakPolarHBondContact CD-O 3.44Å; H402-F405 HydrophobicContact CB-CD2 4.05Å
403L70.8Confident76Confident10 Ų1073.6 Ų73.65%0.05235%0.353CS..SBendtrans-89.7-29.1171.7172.366.2000112.2V235 E236 R263 Y264 T406V235-L403 HydrophobicContact CG1-CD2 4.03Å; E236-L403 HydrophobicContact CG-CB 4.34Å; E236-L403 WeakPolarHBondContact OE1-CA 3.47Å; E236-L403 PolarHBondContact OE1-N 2.73Å; R263-L403 HydrophobicContact CB-CD2 3.27Å; R263-L403 HydrophobicContact CG-CD2 4.31Å; Y264-L403 HydrophobicContact CD2-CB 4.28Å; L403-T406 PolarHBondContact O-OG1 3.11Å
404F56.9Low74.4Confident77 Ų7777.2 Ų77.234%0.33836%0.363SS..SBendtrans-85.1-29.2-170.2-178.2-98.2000113.6Q176 R204 E236Q176-F404 VanDerWaalsContact OE1-CE1 3.27Å; R204-F404 HydrophobicContact CB-CD1 4.24Å; R204-F404 HydrophobicContact CB-CD2 4.11Å; R204-F404 HydrophobicContact CB-CE1 4.36Å; R204-F404 HydrophobicContact CB-CE2 4.24Å; R204-F404 HydrophobicContact CB-CG 4.12Å; R204-F404 HydrophobicContact CB-CZ 4.36Å; R204-F404 HydrophobicContact CG-CD1 4.48Å; R204-F404 HydrophobicContact CG-CD2 4.12Å; R204-F404 HydrophobicContact CG-CE1 4.12Å; R204-F404 HydrophobicContact CG-CE2 3.73Å; R204-F404 HydrophobicContact CG-CG 4.48Å; R204-F404 HydrophobicContact CG-CZ 3.74Å; E236-F404 WeakPolarHBondContact OE1-CB 3.14Å; E236-F404 PolarHBondContact OE1-N 3.29Å
405F54.7Low72.5Confident93 Ų9377.4 Ų77.441%0.40836%0.364SS..  trans-96.63.6-178.5-63.1-75.2000114E177 H402E177-F405 HydrophobicContact CB-CE2 3.69Å; E177-F405 HydrophobicContact CB-CZ 3.62Å; E177-F405 VanDerWaalsContact CD-CE2 3.45Å; E177-F405 HydrophobicContact CG-CE2 3.93Å; E177-F405 HydrophobicContact CG-CZ 4.3Å; E177-F405 WeakPolarHBondContact OE2-CE2 3.47Å; E177-F405 VanDerWaalsContact OE2-CZ 3.25Å; E177-F405 WeakPolarHBondContact OE2-CZ 3.15Å; H402-F405 HydrophobicContact CB-CD2 4.05Å
406T36.9Very low70.5Confident136 Ų13681.7 Ų81.783%0.83438%0.383SS*.  trans-103.50171.158.80000109.8R400 L403R400-T406 PolarHBondContact NH1-OG1 3.3Å; L403-T406 PolarHBondContact O-OG1 3.11Å

Retrieved 406 of 406 residues in 160.8 ms (Link to these results)

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