A0A087X638_POEFO Loading...

WD repeat domain 13

AlphaFold DB , UniProt , Accession A0A087X638, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 482 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.4Very low58.2Low136 Ų13662.1 Ų62.167%0.6735%0.351SS*.  0-29.20-82.8-76.8-80.800113.2A3 W5 R52M1-A3 PolarHBondContact O-N 3.32Å; M1-W5 PolarHBondContact O-N 2.72Å; M1-R52 HydrophobicContact CE-CB 4.24Å; M1-R52 HydrophobicContact CE-CG 3.76Å; M1-R52 HydrophobicContact SD-CG 4.48Å
2A42.3Very low59.2Low71 Ų7156.9 Ų56.959%0.58732%0.322SS*.Hα-helixtrans-58.4-40.6174.800000114.2V4 W5 Q6A2-V4 PolarHBondContact O-N 2.58Å; A2-W5 PolarHBondContact O-N 3.43Å; A2-Q6 WeakPolarHBondContact O-CG 3Å; A2-Q6 PolarHBondContact O-N 3.24Å
3A51.5Low59.8Low57 Ų5754.9 Ų54.947%0.47132%0.317SS..Hα-helixtrans-61-43.9-179.600000113.6M1 W5 Q6 Q7M1-A3 PolarHBondContact O-N 3.32Å; A3-W5 VanDerWaalsContact C-N 3.31Å; A3-W5 PolarHBondContact O-N 3.08Å; A3-Q6 PolarHBondContact O-N 2.64Å; A3-Q7 WeakPolarHBondContact O-CB 3.43Å; A3-Q7 VanDerWaalsContact O-CG 3.24Å; A3-Q7 WeakPolarHBondContact O-CG 3.33Å; A3-Q7 PolarHBondContact O-N 2.8Å
4V56Low60.4Low63 Ų6362.6 Ų62.638%0.38234%0.338SS..Hα-helixtrans-66.6-36179.5-179.20000111.2A2 V8A2-V4 PolarHBondContact O-N 2.58Å; V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.48Å; V4-V8 PolarHBondContact O-N 2.8Å; V4-V8 VanDerWaalsContact O-N 3.07Å
5W61.4Low61Low93 Ų9361.3 Ų61.335%0.35233%0.327SS..Hα-helixtrans-69.1-43.3178.2-177.975.5000112.1M1 A2 A3 V8 L9M1-W5 PolarHBondContact O-N 2.72Å; A2-W5 PolarHBondContact O-N 3.43Å; A3-W5 VanDerWaalsContact C-N 3.31Å; A3-W5 PolarHBondContact O-N 3.08Å; W5-V8 PolarHBondContact O-N 2.89Å; W5-L9 HydrophobicContact CD2-CD1 3.87Å; W5-L9 VanDerWaalsContact CE2-CD1 3.45Å; W5-L9 HydrophobicContact CE3-CD1 4.09Å; W5-L9 HydrophobicContact CH2-CD1 3.56Å; W5-L9 HydrophobicContact CZ2-CD1 3.31Å; W5-L9 HydrophobicContact CZ3-CD1 3.94Å; W5-L9 PolarHBondContact O-N 2.89Å; W5-L9 VanDerWaalsContact O-N 3.13Å
6Q57.9Low61.5Low99 Ų9958.3 Ų58.346%0.46331%0.311SS..Hα-helixtrans-63.7-41.3175.2-73175.4-28.600111.6A2 A3 L9 A10A2-Q6 WeakPolarHBondContact O-CG 3Å; A2-Q6 PolarHBondContact O-N 3.24Å; A3-Q6 PolarHBondContact O-N 2.64Å; Q6-L9 PolarHBondContact O-N 2.79Å; Q6-A10 VanDerWaalsContact O-CB 3.29Å; Q6-A10 WeakPolarHBondContact O-CB 3.35Å; Q6-A10 PolarHBondContact O-N 3.05Å
7Q63.1Low61.4Low78 Ų7857.6 Ų57.636%0.36432%0.315SS..Hα-helixtrans-61.6-46.5176.1-75.3169.8-10.600112.6A3 L9 A10 V11A3-Q7 WeakPolarHBondContact O-CB 3.43Å; A3-Q7 VanDerWaalsContact O-CG 3.24Å; A3-Q7 WeakPolarHBondContact O-CG 3.33Å; A3-Q7 PolarHBondContact O-N 2.8Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.22Å; Q7-A10 PolarHBondContact O-N 2.85Å; Q7-V11 WeakPolarHBondContact O-CG2 3.29Å; Q7-V11 PolarHBondContact O-N 2.9Å
8V65.9Low61.7Low3 Ų364 Ų642%0.01834%0.335CS..Hα-helixtrans-64.3-38.9179.4170.90000111.6V4 W5 D12 R58 L62V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.48Å; V4-V8 PolarHBondContact O-N 2.8Å; V4-V8 VanDerWaalsContact O-N 3.07Å; W5-V8 PolarHBondContact O-N 2.89Å; V8-D12 PolarHBondContact O-N 3.49Å; V8-R58 HydrophobicContact CG1-CG 4.12Å; V8-L62 HydrophobicContact CG1-CD1 4.06Å
9L66.5Low62Low28 Ų2863.6 Ų63.615%0.14733%0.329CS..Hα-helixtrans-70.7-40.5176.5-76.8177.4000113W5 Q6 Q7 V11 D12 A13W5-L9 HydrophobicContact CD2-CD1 3.87Å; W5-L9 VanDerWaalsContact CE2-CD1 3.45Å; W5-L9 HydrophobicContact CE3-CD1 4.09Å; W5-L9 HydrophobicContact CH2-CD1 3.56Å; W5-L9 HydrophobicContact CZ2-CD1 3.31Å; W5-L9 HydrophobicContact CZ3-CD1 3.94Å; W5-L9 PolarHBondContact O-N 2.89Å; W5-L9 VanDerWaalsContact O-N 3.13Å; Q6-L9 PolarHBondContact O-N 2.79Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.22Å; L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.31Å; L9-D12 PolarHBondContact O-N 2.68Å; L9-A13 WeakPolarHBondContact O-CB 3.42Å; L9-A13 PolarHBondContact O-N 3.23Å
10A63.7Low62.2Low35 Ų3562.2 Ų62.229%0.28932%0.323SS..Hα-helixtrans-60.9-39.7176.300000111.3Q6 Q7 A13 R14Q6-A10 VanDerWaalsContact O-CB 3.29Å; Q6-A10 WeakPolarHBondContact O-CB 3.35Å; Q6-A10 PolarHBondContact O-N 3.05Å; Q7-A10 PolarHBondContact O-N 2.85Å; A10-A13 PolarHBondContact O-N 2.69Å; A10-R14 WeakPolarHBondContact O-CB 3.4Å; A10-R14 PolarHBondContact O-N 2.77Å
11V66.4Low62.3Low20 Ų2063.5 Ų63.512%0.12134%0.335CS..Hα-helixtrans-68.5-43.2175.1174.90000111.6Q7 L9 A13 R14 Y15 L62 L69Q7-V11 WeakPolarHBondContact O-CG2 3.29Å; Q7-V11 PolarHBondContact O-N 2.9Å; L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.31Å; V11-A13 PolarHBondContact O-N 3.07Å; V11-R14 PolarHBondContact O-N 2.86Å; V11-Y15 HydrophobicContact CG1-CD2 3.88Å; V11-Y15 HydrophobicContact CG1-CE2 4.02Å; V11-Y15 WeakPolarHBondContact O-CD2 3.45Å; V11-Y15 PolarHBondContact O-N 3.47Å; V11-Y15 VanDerWaalsContact O-N 3.11Å; V11-L62 HydrophobicContact CG1-CB 4.27Å; V11-L62 HydrophobicContact CG1-CD1 4.19Å; V11-L69 HydrophobicContact CB-CD2 4.42Å; V11-L69 HydrophobicContact CG1-CD2 4.21Å; V11-L69 HydrophobicContact CG2-CD2 3.47Å; V11-L69 VanDerWaalsContact CG2-CD2 3.47Å
12D70.1Confident63.4Low0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-61.2-34.4174.4-88.9-57.5000112V8 L9 N16 R19 R34 R58V8-D12 PolarHBondContact O-N 3.49Å; L9-D12 PolarHBondContact O-N 2.68Å; D12-N16 WeakPolarHBondContact O-CB 3.38Å; D12-N16 PolarHBondContact O-N 2.92Å; D12-R19 IonicContact OD1-CZ 3.54Å; D12-R19 IonicContact OD1-NH1 3.95Å; D12-R19 PolarHBondContact OD1-NH1 3.22Å; D12-R19 IonicContact OD1-NH2 3.7Å; D12-R19 PolarHBondContact OD1-NH2 3.13Å; D12-R34 IonicContact OD2-CZ 2.61Å; D12-R34 IonicContact OD2-NH1 2.82Å; D12-R34 PolarHBondContact OD2-NH1 3.1Å; D12-R34 IonicContact OD2-NH2 3.2Å; D12-R58 IonicContact OD1-CZ 2.89Å; D12-R58 IonicContact OD1-NE 3.11Å; D12-R58 IonicContact OD1-NH2 3.06Å; D12-R58 PolarHBondContact OD1-NH2 3.47Å; D12-R58 IonicContact OD2-NE 3.81Å
13A66.8Low64.6Low31 Ų3164.1 Ų64.126%0.25633%0.33SS..Hα-helixtrans-69.7-45.8172.900000112.2L9 A10 V11 Y15 N16 I31L9-A13 WeakPolarHBondContact O-CB 3.42Å; L9-A13 PolarHBondContact O-N 3.23Å; A10-A13 PolarHBondContact O-N 2.69Å; V11-A13 PolarHBondContact O-N 3.07Å; A13-Y15 VanDerWaalsContact C-N 3.31Å; A13-Y15 PolarHBondContact O-N 2.99Å; A13-N16 WeakPolarHBondContact O-CB 3.31Å; A13-N16 PolarHBondContact O-N 3.31Å; A13-I31 HydrophobicContact CB-CD1 3.95Å
14R68.7Low65.1Low163 Ų16365.1 Ų65.162%0.61533%0.332SS*.Hα-helixtrans-55.8-42.3178.9-175.1178.9-177.5-174.31.7112.9A10 V11A10-R14 WeakPolarHBondContact O-CB 3.4Å; A10-R14 PolarHBondContact O-N 2.77Å; V11-R14 PolarHBondContact O-N 2.86Å
15Y69.4Low65.4Low42 Ų4268.4 Ų68.417%0.16534%0.343CS..THydrogen-bonded Turntrans-99.314.6-177.3-63-74.8000114.1V11 A13 A17 Y18 Y66V11-Y15 HydrophobicContact CG1-CD2 3.88Å; V11-Y15 HydrophobicContact CG1-CE2 4.02Å; V11-Y15 WeakPolarHBondContact O-CD2 3.45Å; V11-Y15 PolarHBondContact O-N 3.47Å; V11-Y15 VanDerWaalsContact O-N 3.11Å; A13-Y15 VanDerWaalsContact C-N 3.31Å; A13-Y15 PolarHBondContact O-N 2.99Å; Y15-A17 VanDerWaalsContact C-N 3.34Å; Y15-A17 PolarHBondContact O-N 3.35Å; Y15-Y18 AromaticContact CD1-CD2 3.8Å; Y15-Y18 HydrophobicContact CD1-CD2 3.8Å; Y15-Y18 AromaticContact CD1-CE2 3.89Å; Y15-Y18 HydrophobicContact CD1-CE2 3.89Å; Y15-Y18 HydrophobicContact CE1-CE2 4.45Å; Y15-Y18 PolarHBondContact O-N 3.13Å; Y15-Y66 AromaticContact CD1-CD1 3.62Å; Y15-Y66 HydrophobicContact CD1-CD1 3.62Å; Y15-Y66 AromaticContact CD1-CE1 3.98Å; Y15-Y66 HydrophobicContact CD1-CE1 3.98Å; Y15-Y66 HydrophobicContact CD1-CG 4.09Å; Y15-Y66 HydrophobicContact CD2-CD1 4.21Å; Y15-Y66 HydrophobicContact CD2-CD2 4.03Å; Y15-Y66 AromaticContact CD2-CG 3.84Å; Y15-Y66 HydrophobicContact CD2-CG 3.84Å; Y15-Y66 AromaticContact CE1-CD1 3.98Å; Y15-Y66 HydrophobicContact CE1-CD1 3.98Å; Y15-Y66 HydrophobicContact CE1-CG 4.27Å; Y15-Y66 HydrophobicContact CE2-CG 4.04Å; Y15-Y66 AromaticContact CG-CD1 3.75Å; Y15-Y66 HydrophobicContact CG-CD1 3.75Å; Y15-Y66 HydrophobicContact CG-CD2 4.19Å; Y15-Y66 AromaticContact CG-CE1 3.95Å; Y15-Y66 HydrophobicContact CG-CE1 3.95Å; Y15-Y66 HydrophobicContact CG-CE2 4.38Å; Y15-Y66 AromaticContact CG-CG 3.87Å; Y15-Y66 HydrophobicContact CG-CG 3.87Å
16N68.8Low65.3Low13 Ų1368.5 Ų68.57%0.0735%0.346CS..SBendtrans-68.1-35.7-177-161.820.1000112.5D12 A13 Y18 R19 R27 I31D12-N16 WeakPolarHBondContact O-CB 3.38Å; D12-N16 PolarHBondContact O-N 2.92Å; A13-N16 WeakPolarHBondContact O-CB 3.31Å; A13-N16 PolarHBondContact O-N 3.31Å; N16-Y18 PolarHBondContact O-N 2.93Å; N16-R19 PolarHBondContact O-N 3.33Å; N16-R19 VanDerWaalsContact O-N 3.08Å; N16-R27 VanDerWaalsContact CG-O 3.31Å; N16-R27 PolarHBondContact ND2-O 3.49Å; N16-R27 PolarHBondContact OD1-O 3.27Å; N16-R27 VanDerWaalsContact OD1-O 3.11Å; N16-I31 HydrophobicContact CB-CD1 4.15Å; N16-I31 WeakPolarHBondContact ND2-CD1 3.43Å
17A59.7Low65.8Low47 Ų4766 Ų6639%0.38833%0.333SS..THydrogen-bonded Turntrans-58.8-32.1176.100000112.8Y15 R19Y15-A17 VanDerWaalsContact C-N 3.34Å; Y15-A17 PolarHBondContact O-N 3.35Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 3.11Å
18Y66.7Low65.9Low173 Ų17364.1 Ų64.168%0.67833%0.327SS*.THydrogen-bonded Turntrans-76.8-16.2178.5-65.9-84.3000114Y15 N16Y15-Y18 AromaticContact CD1-CD2 3.8Å; Y15-Y18 HydrophobicContact CD1-CD2 3.8Å; Y15-Y18 AromaticContact CD1-CE2 3.89Å; Y15-Y18 HydrophobicContact CD1-CE2 3.89Å; Y15-Y18 HydrophobicContact CE1-CE2 4.45Å; Y15-Y18 PolarHBondContact O-N 3.13Å; N16-Y18 PolarHBondContact O-N 2.93Å
19R67.1Low66.2Low57 Ų5768.8 Ų68.822%0.21535%0.348CS..THydrogen-bonded Turntrans-84.4-34.1-175.5-68.6-178.9-179.2170.66.2113.1D12 N16 A17D12-R19 IonicContact OD1-CZ 3.54Å; D12-R19 IonicContact OD1-NH1 3.95Å; D12-R19 PolarHBondContact OD1-NH1 3.22Å; D12-R19 IonicContact OD1-NH2 3.7Å; D12-R19 PolarHBondContact OD1-NH2 3.13Å; N16-R19 PolarHBondContact O-N 3.33Å; N16-R19 VanDerWaalsContact O-N 3.08Å; A17-R19 VanDerWaalsContact C-N 3.35Å; A17-R19 PolarHBondContact O-N 3.11Å
20T66.8Low66.5Low35 Ų3572 Ų7222%0.21536%0.359CS..  trans-131.369.7177.458.90000109.4T22 F23 F26 R27T20-T22 PolarHBondContact O-N 3.45Å; T20-F23 WeakPolarHBondContact CB-O 3.37Å; T20-F23 PolarHBondContact O-N 2.77Å; T20-F23 PolarHBondContact OG1-O 2.98Å; T20-F23 VanDerWaalsContact OG1-O 3.06Å; T20-F26 HydrophobicContact CG2-CB 4.32Å; T20-R27 PolarHBondContact O-NE 2.84Å; T20-R27 WeakPolarHBondContact OG1-CG 3.32Å
21P63.8Low66.8Low89 Ų8972 Ų7258%0.57835%0.354SS*.SBendtrans-61.4-36.1-17824.3-32.6000111.4
22T68.3Low67Low105 Ų10576.8 Ų76.864%0.64437%0.37SS*.SBendtrans-86-16.7-177.843.10000114.7T20T20-T22 PolarHBondContact O-N 3.45Å
23F67.7Low67.2Low115 Ų11582.8 Ų82.850%0.50439%0.392SS..  trans-134.789.2-176.5-57.5-76.8000112T20 Q25 F26T20-F23 WeakPolarHBondContact CB-O 3.37Å; T20-F23 PolarHBondContact O-N 2.77Å; T20-F23 PolarHBondContact OG1-O 2.98Å; T20-F23 VanDerWaalsContact OG1-O 3.06Å; F23-Q25 VanDerWaalsContact C-N 3.31Å; F23-Q25 PolarHBondContact O-N 2.97Å; F23-F26 HydrophobicContact CB-CD2 3.61Å; F23-F26 HydrophobicContact CB-CE2 4.27Å; F23-F26 HydrophobicContact CG-CD2 4.25Å; F23-F26 PolarHBondContact O-N 3.35Å
24P61.7Low67.7Low79 Ų7982.2 Ų82.251%0.51338%0.384SS..G310 helixtrans-62.1-35.4-177.6-23.333.7000113.7F26 R27P24-F26 PolarHBondContact O-N 3.08Å; P24-F26 VanDerWaalsContact O-N 3.11Å; P24-R27 VanDerWaalsContact O-CB 3.29Å; P24-R27 WeakPolarHBondContact O-CB 3.17Å; P24-R27 VanDerWaalsContact O-CG 3.31Å; P24-R27 WeakPolarHBondContact O-CG 3.38Å; P24-R27 PolarHBondContact O-N 3.24Å
25Q62.6Low67.8Low131 Ų13175.6 Ų75.661%0.61236%0.362SS*.G310 helixtrans-59.1-23.3-179.863.4-160.94.100114.8F23F23-Q25 VanDerWaalsContact C-N 3.31Å; F23-Q25 PolarHBondContact O-N 2.97Å
26F60.6Low68Low95 Ų9577.2 Ų77.242%0.41737%0.371SS..G310 helixtrans-92.1-10.6179-67.1-63.9000113.9T20 F23 P24 T28 Q29 Y30T20-F26 HydrophobicContact CG2-CB 4.32Å; F23-F26 HydrophobicContact CB-CD2 3.61Å; F23-F26 HydrophobicContact CB-CE2 4.27Å; F23-F26 HydrophobicContact CG-CD2 4.25Å; F23-F26 PolarHBondContact O-N 3.35Å; P24-F26 PolarHBondContact O-N 3.08Å; P24-F26 VanDerWaalsContact O-N 3.11Å; F26-T28 PolarHBondContact O-N 2.98Å; F26-Q29 PolarHBondContact O-N 2.8Å; F26-Y30 PolarHBondContact O-N 2.81Å
27R68.6Low68.2Low46 Ų4679.9 Ų79.917%0.17439%0.385CS..Hα-helixtrans-55.9-58.7-177.9-67.6175.5-176.7173.82.9109.9N16 T20 P24 Q29N16-R27 VanDerWaalsContact CG-O 3.31Å; N16-R27 PolarHBondContact ND2-O 3.49Å; N16-R27 PolarHBondContact OD1-O 3.27Å; N16-R27 VanDerWaalsContact OD1-O 3.11Å; T20-R27 PolarHBondContact O-NE 2.84Å; T20-R27 WeakPolarHBondContact OG1-CG 3.32Å; P24-R27 VanDerWaalsContact O-CB 3.29Å; P24-R27 WeakPolarHBondContact O-CB 3.17Å; P24-R27 VanDerWaalsContact O-CG 3.31Å; P24-R27 WeakPolarHBondContact O-CG 3.38Å; P24-R27 PolarHBondContact O-N 3.24Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.89Å
28T65.2Low68.7Low39 Ų3978.9 Ų78.924%0.23937%0.373CS..Hα-helixtrans-74-21.4-17763.30000113.3F26 R32F26-T28 PolarHBondContact O-N 2.98Å; T28-R32 WeakPolarHBondContact O-CB 3.44Å; T28-R32 VanDerWaalsContact O-CG 3.31Å; T28-R32 WeakPolarHBondContact O-CG 3.48Å; T28-R32 PolarHBondContact O-N 2.97Å; T28-R32 PolarHBondContact OG1-NH2 2.84Å
29Q71.3Confident68.9Low101 Ų10178.1 Ų78.147%0.47237%0.369SS..Hα-helixtrans-67.3-38.7178.2-67-170.75.100112.6F26 R27 I31 R32 R33F26-Q29 PolarHBondContact O-N 2.8Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.89Å; Q29-I31 PolarHBondContact O-N 2.88Å; Q29-R32 PolarHBondContact O-N 3.1Å; Q29-R33 VanDerWaalsContact O-CB 3.3Å; Q29-R33 WeakPolarHBondContact O-CB 3.38Å; Q29-R33 PolarHBondContact O-N 2.84Å
30Y72.1Confident69.2Low97 Ų9778.9 Ų78.938%0.3838%0.375SS..Hα-helixtrans-58.4-49176.9175.4-92.1000111.7F26 R33 R34 R58F26-Y30 PolarHBondContact O-N 2.81Å; Y30-R33 PolarHBondContact O-N 2.89Å; Y30-R34 VanDerWaalsContact O-CB 3.31Å; Y30-R34 WeakPolarHBondContact O-CB 3.4Å; Y30-R34 PolarHBondContact O-N 2.9Å; Y30-R58 PolarHBondContact OH-NH2 3.41Å; Y30-R58 VanDerWaalsContact OH-NH2 3.11Å
31I71.1Confident69.3Low33 Ų3381.2 Ų81.217%0.16939%0.386CS..Hα-helixtrans-66.3-43.5-179.4-60.6179.6000110.2A13 N16 Q29 R34 S35A13-I31 HydrophobicContact CB-CD1 3.95Å; N16-I31 HydrophobicContact CB-CD1 4.15Å; N16-I31 WeakPolarHBondContact ND2-CD1 3.43Å; Q29-I31 PolarHBondContact O-N 2.88Å; I31-R34 PolarHBondContact O-N 3.42Å; I31-S35 WeakPolarHBondContact O-CB 3.49Å; I31-S35 PolarHBondContact O-N 2.83Å; I31-S35 PolarHBondContact O-OG 2.9Å; I31-S35 VanDerWaalsContact O-OG 3.13Å
32R70.1Confident69.3Low122 Ų12279.6 Ų79.646%0.4638%0.38SS..Hα-helixtrans-60.7-49.5176.8-75.2-177.6-148.3-177.97.9112T28 Q29 R34 S35 Q36T28-R32 WeakPolarHBondContact O-CB 3.44Å; T28-R32 VanDerWaalsContact O-CG 3.31Å; T28-R32 WeakPolarHBondContact O-CG 3.48Å; T28-R32 PolarHBondContact O-N 2.97Å; T28-R32 PolarHBondContact OG1-NH2 2.84Å; Q29-R32 PolarHBondContact O-N 3.1Å; R32-R34 VanDerWaalsContact C-N 3.28Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-S35 PolarHBondContact O-N 2.79Å; R32-Q36 VanDerWaalsContact O-CB 3.28Å; R32-Q36 WeakPolarHBondContact O-CB 3.38Å; R32-Q36 PolarHBondContact O-N 2.87Å
33R75.4Confident69.2Low126 Ų12683.4 Ų83.448%0.47539%0.388SS..Hα-helixtrans-62.3-38.7-179.2-17558.9177.2158.63.4111.1Q29 Y30 Q36 L37Q29-R33 VanDerWaalsContact O-CB 3.3Å; Q29-R33 WeakPolarHBondContact O-CB 3.38Å; Q29-R33 PolarHBondContact O-N 2.84Å; Y30-R33 PolarHBondContact O-N 2.89Å; R33-Q36 WeakPolarHBondContact O-CB 3.35Å; R33-Q36 PolarHBondContact O-N 3.02Å; R33-L37 HydrophobicContact CG-CD1 4.13Å; R33-L37 WeakPolarHBondContact O-CB 3.3Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 2.89Å; R33-L37 PolarHBondContact O-N 3.25Å
34R76Confident69.2Low19 Ų1982.1 Ų82.17%0.07239%0.392CS..Hα-helixtrans-68.9-46.4177-177.7171.5172.2-117.26.5112.9D12 Y30 I31 R32 Q36 L37 L38 Y54D12-R34 IonicContact OD2-CZ 2.61Å; D12-R34 IonicContact OD2-NH1 2.82Å; D12-R34 PolarHBondContact OD2-NH1 3.1Å; D12-R34 IonicContact OD2-NH2 3.2Å; Y30-R34 VanDerWaalsContact O-CB 3.31Å; Y30-R34 WeakPolarHBondContact O-CB 3.4Å; Y30-R34 PolarHBondContact O-N 2.9Å; I31-R34 PolarHBondContact O-N 3.42Å; R32-R34 VanDerWaalsContact C-N 3.28Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-Q36 PolarHBondContact O-N 2.96Å; R34-L37 PolarHBondContact O-N 2.93Å; R34-L38 HydrophobicContact CG-CD1 4.12Å; R34-L38 WeakPolarHBondContact O-CB 3.42Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 2.64Å; R34-Y54 PolarHBondContact NE-OH 2.84Å; R34-Y54 PolarHBondContact NH2-OH 2.8Å
35S70.5Confident69.1Low23 Ų2381.8 Ų81.816%0.16140%0.404CS..Hα-helixtrans-62.4-33.2175.1-66.40000111.6I31 R32 R39I31-S35 WeakPolarHBondContact O-CB 3.49Å; I31-S35 PolarHBondContact O-N 2.83Å; I31-S35 PolarHBondContact O-OG 2.9Å; I31-S35 VanDerWaalsContact O-OG 3.13Å; R32-S35 PolarHBondContact O-N 2.79Å; S35-R39 VanDerWaalsContact O-CG 3.31Å; S35-R39 WeakPolarHBondContact O-CG 3.49Å; S35-R39 PolarHBondContact O-N 3.39Å; S35-R39 PolarHBondContact O-NE 2.81Å; S35-R39 VanDerWaalsContact O-NE 3.15Å
36Q74.9Confident69.2Low76 Ų7682 Ų8236%0.35540%0.403SS..Hα-helixtrans-65.5-54.8171-179.8-1788.800111.7R32 R33 R34 L38 R39 E40R32-Q36 VanDerWaalsContact O-CB 3.28Å; R32-Q36 WeakPolarHBondContact O-CB 3.38Å; R32-Q36 PolarHBondContact O-N 2.87Å; R33-Q36 WeakPolarHBondContact O-CB 3.35Å; R33-Q36 PolarHBondContact O-N 3.02Å; R34-Q36 PolarHBondContact O-N 2.96Å; Q36-L38 VanDerWaalsContact C-N 3.28Å; Q36-L38 PolarHBondContact O-N 3.42Å; Q36-R39 WeakPolarHBondContact O-CA 3.42Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 2.98Å; Q36-E40 HydrophobicContact CG-CG 4.34Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.49Å; Q36-E40 PolarHBondContact NE2-OE1 2.93Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.49Å
37L73.3Confident69.3Low70 Ų7084 Ų8437%0.36641%0.413SS..Hα-helixtrans-59.3-37.3-179.4-74.1169.9000112.6R33 R34 R39 E40 N41R33-L37 HydrophobicContact CG-CD1 4.13Å; R33-L37 WeakPolarHBondContact O-CB 3.3Å; R33-L37 VanDerWaalsContact O-CG 3.27Å; R33-L37 WeakPolarHBondContact O-CG 2.89Å; R33-L37 PolarHBondContact O-N 3.25Å; R34-L37 PolarHBondContact O-N 2.93Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-R39 PolarHBondContact O-N 3.37Å; L37-E40 PolarHBondContact O-N 2.84Å; L37-N41 VanDerWaalsContact O-CB 3.32Å; L37-N41 WeakPolarHBondContact O-CB 3.45Å; L37-N41 VanDerWaalsContact O-CG 3.26Å; L37-N41 PolarHBondContact O-N 2.95Å
38L70.1Confident68.9Low26 Ų2686.7 Ų86.714%0.13644%0.437CS..Hα-helixtrans-67.4-32.5175.4-75.8168.5000112.8R34 Q36 A42 Y54R34-L38 HydrophobicContact CG-CD1 4.12Å; R34-L38 WeakPolarHBondContact O-CB 3.42Å; R34-L38 WeakPolarHBondContact O-CG 3.32Å; R34-L38 PolarHBondContact O-N 2.64Å; Q36-L38 VanDerWaalsContact C-N 3.28Å; Q36-L38 PolarHBondContact O-N 3.42Å; L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.28Å; L38-A42 VanDerWaalsContact O-N 3.17Å; L38-Y54 HydrophobicContact CD1-CE1 4.38Å; L38-Y54 HydrophobicContact CD2-CD1 4.16Å; L38-Y54 HydrophobicContact CD2-CE1 3.92Å
39R69.1Low68.9Low156 Ų15686.6 Ų86.659%0.58944%0.444SS*.Hα-helixtrans-75.9-39.4174.2-74.8-178.6-65.9-145.13.1111.9S35 Q36 L37 A42 K43S35-R39 VanDerWaalsContact O-CG 3.31Å; S35-R39 WeakPolarHBondContact O-CG 3.49Å; S35-R39 PolarHBondContact O-N 3.39Å; S35-R39 PolarHBondContact O-NE 2.81Å; S35-R39 VanDerWaalsContact O-NE 3.15Å; Q36-R39 WeakPolarHBondContact O-CA 3.42Å; Q36-R39 WeakPolarHBondContact O-CB 3.34Å; Q36-R39 PolarHBondContact O-N 2.98Å; L37-R39 VanDerWaalsContact C-N 3.33Å; L37-R39 PolarHBondContact O-N 3.37Å; R39-A42 PolarHBondContact O-N 2.95Å; R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 2.76Å; R39-K43 VanDerWaalsContact O-N 3.16Å
40E73.4Confident68.9Low74 Ų7486.7 Ų86.735%0.34645%0.447SS..Hα-helixtrans-62.7-47.7174.8-72.3170.3-179.900110.3Q36 L37 A42 K43 C44Q36-E40 HydrophobicContact CG-CG 4.34Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.49Å; Q36-E40 PolarHBondContact NE2-OE1 2.93Å; Q36-E40 WeakPolarHBondContact O-CG 3.4Å; Q36-E40 PolarHBondContact O-N 3.49Å; L37-E40 PolarHBondContact O-N 2.84Å; E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 2.73Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 3.34Å; E40-C44 PolarHBondContact O-N 2.9Å; E40-C44 VanDerWaalsContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 2.71Å
41N68.9Low68.7Low84 Ų8486.5 Ų86.545%0.44945%0.445SS..Hα-helixtrans-62.9-32.1175.5-73.6-2.1000113.1L37 K43 F46L37-N41 VanDerWaalsContact O-CB 3.32Å; L37-N41 WeakPolarHBondContact O-CB 3.45Å; L37-N41 VanDerWaalsContact O-CG 3.26Å; L37-N41 PolarHBondContact O-N 2.95Å; N41-K43 VanDerWaalsContact C-N 3.3Å; N41-K43 PolarHBondContact O-N 3.09Å; N41-F46 HydrophobicContact CB-CD2 4.5Å
42A64.9Low68.6Low55 Ų5592.7 Ų92.746%0.45547%0.466SS..Hα-helixtrans-69.6-26.9174.300000112.9L38 R39 E40L38-A42 WeakPolarHBondContact O-CB 3.29Å; L38-A42 PolarHBondContact O-N 3.28Å; L38-A42 VanDerWaalsContact O-N 3.17Å; R39-A42 PolarHBondContact O-N 2.95Å; E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 2.73Å
43K66.7Low68.9Low184 Ų18492.4 Ų92.480%0.847%0.471SS*.Hα-helixtrans-82.2-25.1177.3-71.8178.2178.4-171.40113R39 E40 N41 G45R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 2.76Å; R39-K43 VanDerWaalsContact O-N 3.16Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 3.34Å; N41-K43 VanDerWaalsContact C-N 3.3Å; N41-K43 PolarHBondContact O-N 3.09Å; K43-G45 VanDerWaalsContact C-N 3.25Å; K43-G45 PolarHBondContact O-N 3.36Å
44C67.8Low69.1Low88 Ų8890.6 Ų90.660%0.59546%0.464SS*.THydrogen-bonded Turntrans-82.813-176.9-64.70000114.8E40 F46E40-C44 PolarHBondContact O-N 2.9Å; E40-C44 VanDerWaalsContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 2.71Å; C44-F46 VanDerWaalsContact C-N 3.33Å; C44-F46 HydrophobicContact CB-CD2 3.77Å; C44-F46 HydrophobicContact CB-CE2 3.69Å; C44-F46 PolarHBondContact O-N 3.43Å
45G59.1Low69.1Low73 Ų7390.4 Ų90.475%0.75346%0.464SS*.THydrogen-bonded Turntrans70.721.3173.800000115.5K43K43-G45 VanDerWaalsContact C-N 3.25Å; K43-G45 PolarHBondContact O-N 3.36Å
46F63.2Low69.5Low135 Ų13595.8 Ų95.859%0.59249%0.485SS*.  trans-70.3143.1175.6-75.5-80.5000112N41 C44N41-F46 HydrophobicContact CB-CD2 4.5Å; C44-F46 VanDerWaalsContact C-N 3.33Å; C44-F46 HydrophobicContact CB-CD2 3.77Å; C44-F46 HydrophobicContact CB-CE2 3.69Å; C44-F46 PolarHBondContact O-N 3.43Å
47E63.2Low69.8Low137 Ų13797 Ų9764%0.6449%0.494SS*.  trans-45.4120.5-179.9-83-67158.200113.2G49 L50E47-G49 PolarHBondContact O-N 3.02Å; E47-L50 HydrophobicContact CB-CD1 4.14Å; E47-L50 PolarHBondContact O-N 3.37Å; E47-L50 VanDerWaalsContact O-N 3.1Å
48P60.5Low70.2Confident103 Ų10396.1 Ų96.167%0.66949%0.485SS*.Hα-helixtrans-55.3-28.7179.7-2633.6000113.8L50 R51 R52P48-L50 PolarHBondContact O-N 3.17Å; P48-R51 PolarHBondContact O-N 3.22Å; P48-R52 PolarHBondContact O-N 3.45Å
49G66.2Low70.5Confident37 Ų3796 Ų9638%0.38149%0.487SS..Hα-helixtrans-61.2-38.1177.900000114E47 R51 R52 Q53E47-G49 PolarHBondContact O-N 3.02Å; G49-R51 VanDerWaalsContact C-N 3.33Å; G49-R51 PolarHBondContact O-N 3.1Å; G49-R52 PolarHBondContact O-N 2.93Å; G49-Q53 WeakPolarHBondContact O-CG 3.42Å; G49-Q53 PolarHBondContact O-N 3.09Å; G49-Q53 VanDerWaalsContact O-N 3.07Å
50L69.8Low71Confident103 Ų10393.3 Ų93.354%0.53948%0.481SS..Hα-helixtrans-65.5-37.1179.9-81.1162.4000111.7E47 P48 R52 Q53 Y54E47-L50 HydrophobicContact CB-CD1 4.14Å; E47-L50 PolarHBondContact O-N 3.37Å; E47-L50 VanDerWaalsContact O-N 3.1Å; P48-L50 PolarHBondContact O-N 3.17Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 3.08Å; L50-Q53 PolarHBondContact O-N 2.81Å; L50-Y54 WeakPolarHBondContact O-CB 3.25Å; L50-Y54 PolarHBondContact O-N 2.97Å
51R67.8Low71.3Confident93 Ų9394.5 Ų94.535%0.35149%0.489SS..Hα-helixtrans-65.9-39.6178-174.5177.2178178.6-1.9111.7P48 G49 Y54 L55P48-R51 PolarHBondContact O-N 3.22Å; G49-R51 VanDerWaalsContact C-N 3.33Å; G49-R51 PolarHBondContact O-N 3.1Å; R51-Y54 PolarHBondContact O-N 3.26Å; R51-L55 WeakPolarHBondContact O-CG 3.32Å; R51-L55 PolarHBondContact O-N 2.86Å
52R69.8Low71.8Confident162 Ų16290.9 Ų90.961%0.61147%0.469SS*.Hα-helixtrans-66.1-44177.1-169173.7-154-178.65.3111.3M1 P48 G49 L50 L55 K56M1-R52 HydrophobicContact CE-CB 4.24Å; M1-R52 HydrophobicContact CE-CG 3.76Å; M1-R52 HydrophobicContact SD-CG 4.48Å; P48-R52 PolarHBondContact O-N 3.45Å; G49-R52 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact C-N 3.35Å; L50-R52 PolarHBondContact O-N 3.08Å; R52-L55 PolarHBondContact O-N 3.22Å; R52-K56 WeakPolarHBondContact O-CB 3.21Å; R52-K56 PolarHBondContact O-N 2.94Å
53Q76.2Confident72.3Confident117 Ų11789.5 Ų89.555%0.54746%0.458SS..Hα-helixtrans-62.5-43.8175-71.1175.7-2.400111.5G49 L50 L55 K56 L57G49-Q53 WeakPolarHBondContact O-CG 3.42Å; G49-Q53 PolarHBondContact O-N 3.09Å; G49-Q53 VanDerWaalsContact O-N 3.07Å; L50-Q53 PolarHBondContact O-N 2.81Å; Q53-L55 PolarHBondContact O-N 2.99Å; Q53-K56 PolarHBondContact O-N 2.95Å; Q53-L57 WeakPolarHBondContact O-CB 3.38Å; Q53-L57 PolarHBondContact O-N 2.9Å
54Y80.4Confident72.9Confident88 Ų8887.8 Ų87.835%0.34546%0.457SS..Hα-helixtrans-57.7-49.8176.1170.8-97.8000112.5R34 L38 L50 R51 K56 L57 R58R34-Y54 PolarHBondContact NE-OH 2.84Å; R34-Y54 PolarHBondContact NH2-OH 2.8Å; L38-Y54 HydrophobicContact CD1-CE1 4.38Å; L38-Y54 HydrophobicContact CD2-CD1 4.16Å; L38-Y54 HydrophobicContact CD2-CE1 3.92Å; L50-Y54 WeakPolarHBondContact O-CB 3.25Å; L50-Y54 PolarHBondContact O-N 2.97Å; R51-Y54 PolarHBondContact O-N 3.26Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.02Å; Y54-L57 PolarHBondContact O-N 2.81Å; Y54-R58 WeakPolarHBondContact O-CB 3.38Å; Y54-R58 PolarHBondContact O-N 2.99Å
55L75.9Confident73.3Confident14 Ų1492.6 Ų92.67%0.07346%0.463CS..Hα-helixtrans-64.3-38.3-179.8-70.6173.2000111.7R51 R52 Q53 R58 S59R51-L55 WeakPolarHBondContact O-CG 3.32Å; R51-L55 PolarHBondContact O-N 2.86Å; R52-L55 PolarHBondContact O-N 3.22Å; Q53-L55 PolarHBondContact O-N 2.99Å; L55-R58 PolarHBondContact O-N 3.05Å; L55-S59 WeakPolarHBondContact O-CB 3.33Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 2.8Å
56K77.8Confident74.1Confident137 Ų13791.7 Ų91.760%0.59644%0.437SS*.Hα-helixtrans-65-52.9176.8-169.1175.6-178.9-178.30111.4R52 Q53 Y54 R58 S59 Q60R52-K56 WeakPolarHBondContact O-CB 3.21Å; R52-K56 PolarHBondContact O-N 2.94Å; Q53-K56 PolarHBondContact O-N 2.95Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.02Å; K56-R58 VanDerWaalsContact C-N 3.26Å; K56-R58 PolarHBondContact O-N 3.25Å; K56-S59 PolarHBondContact O-N 2.72Å; K56-S59 PolarHBondContact O-OG 2.84Å; K56-Q60 WeakPolarHBondContact O-CG 3.47Å; K56-Q60 PolarHBondContact O-N 2.85Å; K56-Q60 VanDerWaalsContact O-N 3.1Å
57L81.6Confident74.4Confident102 Ų10286.8 Ų86.853%0.53443%0.425SS..Hα-helixtrans-56.1-42.3175.1-84.6158.6000111.5Q53 Y54 Q60 L61Q53-L57 WeakPolarHBondContact O-CB 3.38Å; Q53-L57 PolarHBondContact O-N 2.9Å; Y54-L57 PolarHBondContact O-N 2.81Å; L57-Q60 PolarHBondContact O-N 2.82Å; L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.2Å; L57-L61 PolarHBondContact O-N 3.42Å
58R81.1Confident74.3Confident51 Ų5186.1 Ų86.119%0.19243%0.432CS..Hα-helixtrans-67.1-43.7180-174.964.1173.4-170.2-0.7112.5V8 D12 Y30 Y54 L55 K56 Q60 L61 L62V8-R58 HydrophobicContact CG1-CG 4.12Å; D12-R58 IonicContact OD1-CZ 2.89Å; D12-R58 IonicContact OD1-NE 3.11Å; D12-R58 IonicContact OD1-NH2 3.06Å; D12-R58 PolarHBondContact OD1-NH2 3.47Å; D12-R58 IonicContact OD2-NE 3.81Å; Y30-R58 PolarHBondContact OH-NH2 3.41Å; Y30-R58 VanDerWaalsContact OH-NH2 3.11Å; Y54-R58 WeakPolarHBondContact O-CB 3.38Å; Y54-R58 PolarHBondContact O-N 2.99Å; L55-R58 PolarHBondContact O-N 3.05Å; K56-R58 VanDerWaalsContact C-N 3.26Å; K56-R58 PolarHBondContact O-N 3.25Å; R58-Q60 PolarHBondContact O-N 2.94Å; R58-L61 PolarHBondContact O-N 3.02Å; R58-L62 HydrophobicContact CG-CD1 4.06Å; R58-L62 HydrophobicContact CG-CG 4.37Å; R58-L62 WeakPolarHBondContact O-CB 3.36Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 2.78Å
59S76.5Confident74.2Confident24 Ų2485 Ų8517%0.16842%0.42CS..Hα-helixtrans-58.3-40.617670.60000111.4L55 K56 L62 A63L55-S59 WeakPolarHBondContact O-CB 3.33Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 2.8Å; K56-S59 PolarHBondContact O-N 2.72Å; K56-S59 PolarHBondContact O-OG 2.84Å; S59-L62 PolarHBondContact O-N 2.94Å; S59-A63 WeakPolarHBondContact O-CB 3.31Å; S59-A63 PolarHBondContact O-N 2.77Å
60Q79.9Confident73.2Confident98 Ų9888.6 Ų88.646%0.45844%0.439SS..Hα-helixtrans-65.9-45.6176.3-69.6173-20.800112K56 L57 R58 L62 A63 L64K56-Q60 WeakPolarHBondContact O-CG 3.47Å; K56-Q60 PolarHBondContact O-N 2.85Å; K56-Q60 VanDerWaalsContact O-N 3.1Å; L57-Q60 PolarHBondContact O-N 2.82Å; R58-Q60 PolarHBondContact O-N 2.94Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; Q60-L62 PolarHBondContact O-N 2.98Å; Q60-A63 PolarHBondContact O-N 2.86Å; Q60-L64 WeakPolarHBondContact O-CG 3.13Å; Q60-L64 PolarHBondContact O-N 2.93Å
61L81.2Confident71.8Confident100 Ų10091.2 Ų91.252%0.52445%0.449SS..Hα-helixtrans-64.6-38177.7-71.6172.4000112.7L57 R58 R65L57-L61 VanDerWaalsContact O-CG 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.2Å; L57-L61 PolarHBondContact O-N 3.42Å; R58-L61 PolarHBondContact O-N 3.02Å; L61-R65 WeakPolarHBondContact O-CB 3.34Å; L61-R65 PolarHBondContact O-N 3.47Å; L61-R65 VanDerWaalsContact O-N 3.13Å
62L77.8Confident70.1Confident7 Ų795.9 Ų95.94%0.03748%0.475CS..Hα-helixtrans-67-41.9174.8-70.9172.6000110.9V8 V11 R58 S59 Q60 L64 R65 Y66V8-L62 HydrophobicContact CG1-CD1 4.06Å; V11-L62 HydrophobicContact CG1-CB 4.27Å; V11-L62 HydrophobicContact CG1-CD1 4.19Å; R58-L62 HydrophobicContact CG-CD1 4.06Å; R58-L62 HydrophobicContact CG-CG 4.37Å; R58-L62 WeakPolarHBondContact O-CB 3.36Å; R58-L62 VanDerWaalsContact O-CG 3.3Å; R58-L62 WeakPolarHBondContact O-CG 3.48Å; R58-L62 PolarHBondContact O-N 2.78Å; S59-L62 PolarHBondContact O-N 2.94Å; Q60-L62 VanDerWaalsContact C-N 3.35Å; Q60-L62 PolarHBondContact O-N 2.98Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.26Å; L62-R65 PolarHBondContact O-N 2.86Å; L62-Y66 HydrophobicContact CD2-CD2 4.09Å; L62-Y66 HydrophobicContact CD2-CE2 3.89Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 PolarHBondContact O-N 2.73Å
63A75.1Confident67.9Low26 Ų2693.1 Ų93.122%0.21548%0.48CS..Hα-helixtrans-63.4-38.9176.400000112.4S59 Q60 G67 L69S59-A63 WeakPolarHBondContact O-CB 3.31Å; S59-A63 PolarHBondContact O-N 2.77Å; Q60-A63 PolarHBondContact O-N 2.86Å; A63-G67 CarbonylContact C-O 3.6Å; A63-G67 VanDerWaalsContact CA-O 3.24Å; A63-G67 WeakPolarHBondContact CA-O 3.45Å; A63-G67 CarbonylContact O-C 3.52Å; A63-G67 WeakPolarHBondContact O-CA 3.17Å; A63-G67 PolarHBondContact O-N 2.89Å; A63-G67 VanDerWaalsContact O-O 3.05Å; A63-L69 HydrophobicContact CB-CD1 4.49Å; A63-L69 HydrophobicContact CB-CG 4.19Å
64L79.8Confident65.7Low149 Ų14992.8 Ų92.878%0.7849%0.491SS*.Hα-helixtrans-66.2-36.6175.7-75170.9000112.7Q60 L62Q60-L64 WeakPolarHBondContact O-CG 3.13Å; Q60-L64 PolarHBondContact O-N 2.93Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.26Å
65R75.9Confident63.1Low188 Ų18897.5 Ų97.571%0.70951%0.513SS*.Hα-helixtrans-83.6-33.7-176.2-169.3171.8-169.8-175.53.9113.6L61 L62L61-R65 WeakPolarHBondContact O-CB 3.34Å; L61-R65 PolarHBondContact O-N 3.47Å; L61-R65 VanDerWaalsContact O-N 3.13Å; L62-R65 PolarHBondContact O-N 2.86Å
66Y75.8Confident60.6Low54 Ų54108.7 Ų108.721%0.21256%0.555CS.*Hα-helixtrans-1222.2-170-56.9-69.3000114Y15 L62Y15-Y66 AromaticContact CD1-CD1 3.62Å; Y15-Y66 HydrophobicContact CD1-CD1 3.62Å; Y15-Y66 AromaticContact CD1-CE1 3.98Å; Y15-Y66 HydrophobicContact CD1-CE1 3.98Å; Y15-Y66 HydrophobicContact CD1-CG 4.09Å; Y15-Y66 HydrophobicContact CD2-CD1 4.21Å; Y15-Y66 HydrophobicContact CD2-CD2 4.03Å; Y15-Y66 AromaticContact CD2-CG 3.84Å; Y15-Y66 HydrophobicContact CD2-CG 3.84Å; Y15-Y66 AromaticContact CE1-CD1 3.98Å; Y15-Y66 HydrophobicContact CE1-CD1 3.98Å; Y15-Y66 HydrophobicContact CE1-CG 4.27Å; Y15-Y66 HydrophobicContact CE2-CG 4.04Å; Y15-Y66 AromaticContact CG-CD1 3.75Å; Y15-Y66 HydrophobicContact CG-CD1 3.75Å; Y15-Y66 HydrophobicContact CG-CD2 4.19Å; Y15-Y66 AromaticContact CG-CE1 3.95Å; Y15-Y66 HydrophobicContact CG-CE1 3.95Å; Y15-Y66 HydrophobicContact CG-CE2 4.38Å; Y15-Y66 AromaticContact CG-CG 3.87Å; Y15-Y66 HydrophobicContact CG-CG 3.87Å; L62-Y66 HydrophobicContact CD2-CD2 4.09Å; L62-Y66 HydrophobicContact CD2-CE2 3.89Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 PolarHBondContact O-N 2.73Å
67G70.8Confident58.3Low33 Ų33107.4 Ų107.434%0.3457%0.569SS.*  trans100.1162.5-17900000113.6A63 L69A63-G67 CarbonylContact C-O 3.6Å; A63-G67 VanDerWaalsContact CA-O 3.24Å; A63-G67 WeakPolarHBondContact CA-O 3.45Å; A63-G67 CarbonylContact O-C 3.52Å; A63-G67 WeakPolarHBondContact O-CA 3.17Å; A63-G67 PolarHBondContact O-N 2.89Å; A63-G67 VanDerWaalsContact O-O 3.05Å; G67-L69 PolarHBondContact O-N 2.91Å
68P59.9Low55.5Low122 Ų122107.1 Ų107.179%0.79258%0.576SS**  trans-61136.6-174.823.5-32.1000112.5S70P68-S70 VanDerWaalsContact C-N 3.34Å; P68-S70 PolarHBondContact O-N 3.45Å
69L58.5Low53.1Low79 Ų79110.9 Ų110.941%0.41461%0.61SS.*  trans-72.986.8171.6-58.9172.3000108.1V11 A63 G67 E71V11-L69 HydrophobicContact CB-CD2 4.42Å; V11-L69 HydrophobicContact CG1-CD2 4.21Å; V11-L69 HydrophobicContact CG2-CD2 3.47Å; V11-L69 VanDerWaalsContact CG2-CD2 3.47Å; A63-L69 HydrophobicContact CB-CD1 4.49Å; A63-L69 HydrophobicContact CB-CG 4.19Å; G67-L69 PolarHBondContact O-N 2.91Å; L69-E71 PolarHBondContact O-N 3.41Å
70S46Very low50.7Low113 Ų113114.4 Ų114.479%0.7963%0.631SS**  trans-63.1116.3-177.4160.80000112.3P68P68-S70 VanDerWaalsContact C-N 3.34Å; P68-S70 PolarHBondContact O-N 3.45Å
71E39.5Very low48Very low158 Ų158121.5 Ų121.574%0.73865%0.653SS**  trans-91.5133149.9-79-170.3159.600109.3L69L69-E71 PolarHBondContact O-N 3.41Å
72Q31.9Very low45.5Very low192 Ų192121.5 Ų121.590%0.89766%0.662SS**  trans-158.494.6144.7-108175.434.700109.9
73S24.6Very low43.2Very low103 Ų103124.9 Ų124.972%0.7269%0.686SS**  trans-138.4107.413659.50000107.4F75S73-F75 PolarHBondContact O-N 3.25Å
74S29.2Very low41.1Very low110 Ų110131.4 Ų131.477%0.76971%0.705SS**  trans-69.2105.9175.349.40000109.8
75F25.6Very low39Very low188 Ų188128.2 Ų128.283%0.82569%0.691SS**  trans-129.9119.4157.6-74.2-75.3000109.5S73S73-F75 PolarHBondContact O-N 3.25Å
76R25.1Very low37Very low248 Ų248123.7 Ų123.794%0.93669%0.685SS**  trans-50.8137.2176.1-73.9176.4170.7173.9-3.5110.2S78R76-S78 PolarHBondContact O-N 3.39Å
77A28Very low35.1Very low110 Ų110126.7 Ų126.791%0.90970%0.704SS**  trans-59104.5177.500000111.3
78S24Very low33.3Very low97 Ų97127.1 Ų127.168%0.67870%0.698SS**  trans-102124.1152.462.80000107.4R76 V80R76-S78 PolarHBondContact O-N 3.39Å; S78-V80 PolarHBondContact O-N 2.77Å
79S29Very low32.1Very low130 Ų130131.6 Ų131.691%0.90970%0.699SS**  trans-52.6101.2-177.755.20000112.4
80V26.7Very low31Very low98 Ų98135.6 Ų135.659%0.59472%0.718SS**  trans-101.6112.9164.8179.10000106.5S78 S82S78-V80 PolarHBondContact O-N 2.77Å; V80-S82 PolarHBondContact O-N 3.42Å
81R24.4Very low30.5Very low247 Ų247136.7 Ų136.793%0.93271%0.711SS**  trans-61.7109.4163.2-96.7-179.3171.7179.1-2.9107.3
82S27.8Very low30.2Very low100 Ų100134.1 Ų134.170%0.69970%0.702SS**PPolyproline II helixtrans-63.8132169.2-179.80000109V80 R84V80-S82 PolarHBondContact O-N 3.42Å; S82-R84 PolarHBondContact O-N 3.4Å
83S30.5Very low30.3Very low77 Ų77134.5 Ų134.554%0.53870%0.701SS.*PPolyproline II helixtrans-60129.7168.2-49.60000108.9
84R29.8Very low30.7Very low164 Ų164138.7 Ų138.762%0.61971%0.709SS**PPolyproline II helixtrans-76.1127.1-176.3-84.4-175.8165.5-174.7-8110.5S82 D88 D92S82-R84 PolarHBondContact O-N 3.4Å; R84-D88 WeakPolarHBondContact CA-OD2 3.05Å; R84-D88 HydrophobicContact CB-CB 3.58Å; R84-D88 HydrophobicContact CG-CB 3.56Å; R84-D92 IonicContact NH1-OD1 3.33Å; R84-D92 IonicContact NH1-OD2 3.92Å
85T35.3Very low30.8Very low81 Ų81142.3 Ų142.350%0.49771%0.714SS.*PPolyproline II helixtrans-79168.717460.40000111.1L87 D88T85-L87 PolarHBondContact O-N 3.16Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 WeakPolarHBondContact O-CB 3.49Å; T85-D88 PolarHBondContact O-N 3.01Å; T85-D88 PolarHBondContact OG1-OD2 3.25Å
86T34.7Very low31Very low93 Ų93140.1 Ų140.157%0.57171%0.711SS**THydrogen-bonded Turntrans-58.7-15.4176.347.30000113.9E480T86-E480 PolarHBondContact OG1-OE1 2.79Å
87L35.2Very low31.3Very low118 Ų118134 Ų13462%0.61870%0.703SS**THydrogen-bonded Turntrans-83.6-20.6170.7-98.2143.4000114.3T85 R89T85-L87 PolarHBondContact O-N 3.16Å; L87-R89 PolarHBondContact O-N 2.88Å
88D33.2Very low31.7Very low41 Ų41139.4 Ų139.422%0.21970%0.7CS.*G310 helixtrans-78.6-9.9174.1-67.5-54.9000112.2R84 T85 M90R84-D88 WeakPolarHBondContact CA-OD2 3.05Å; R84-D88 HydrophobicContact CB-CB 3.58Å; R84-D88 HydrophobicContact CG-CB 3.56Å; T85-D88 PolarHBondContact N-OD2 3.29Å; T85-D88 WeakPolarHBondContact O-CB 3.49Å; T85-D88 PolarHBondContact O-N 3.01Å; T85-D88 PolarHBondContact OG1-OD2 3.25Å; D88-M90 VanDerWaalsContact C-N 3.28Å
89R35.3Very low32Very low216 Ų216139.6 Ų139.682%0.81571%0.707SS**G310 helixtrans-80.1-5.8173.2-93-173173.9164.4-0.9114L87L87-R89 PolarHBondContact O-N 2.88Å
90M35.3Very low32Very low164 Ų164143.4 Ų143.481%0.80871%0.711SS**G310 helixtrans-101.30.9176.3-71.4-173.3-179.900113.2D88D88-M90 VanDerWaalsContact C-N 3.28Å
91E36Very low32.1Very low135 Ų135142.2 Ų142.263%0.63172%0.718SS**SBendtrans-90.6-3.6176.6-69.5-171.2162.700113.4F93E91-F93 VanDerWaalsContact C-N 3.32Å; E91-F93 PolarHBondContact O-N 3.35Å
92D33.5Very low32.3Very low105 Ų105135.5 Ų135.556%0.56172%0.716SS**  trans-91.356.9178.7-66.1-24.5000111.6R84R84-D92 IonicContact NH1-OD1 3.33Å; R84-D92 IonicContact NH1-OD2 3.92Å
93F32.8Very low32.4Very low200 Ų200143 Ų14388%0.87773%0.728SS**  trans-147.155.6163.4-88.5-79.9000110E91E91-F93 VanDerWaalsContact C-N 3.32Å; E91-F93 PolarHBondContact O-N 3.35Å
94E32.5Very low32.2Very low191 Ų191143.1 Ų143.189%0.89374%0.743SS**  trans-93.8108.9154.5-76.7-164.8162.900107.7D96E94-D96 PolarHBondContact O-N 2.75Å
95E31.6Very low32.1Very low186 Ų186143.9 Ų143.987%0.86975%0.753SS**  trans-66.5118.9167.1-81.8-175.7150.600109.2P97E95-P97 WeakPolarHBondContact O-CD 3.24Å
96D31.2Very low31.6Very low141 Ų141149 Ų14975%0.75476%0.763SS**  trans-69.7117.1172-159-2.9000109.3E94 R98E94-D96 PolarHBondContact O-N 2.75Å; D96-R98 PolarHBondContact O-N 2.87Å
97P31.1Very low31.1Very low119 Ų119154.4 Ų154.477%0.77377%0.773SS**SBendtrans-83.360.5-174.633.4-33.5000110.9E95E95-P97 WeakPolarHBondContact O-CD 3.24Å
98R36.1Very low30.9Very low225 Ų225153.9 Ų153.985%0.84978%0.779SS**  trans-150.374.4172.6-70.4-168.2177.8156.50.8112.9D96D96-R98 PolarHBondContact O-N 2.87Å
99A30.4Very low30.5Very low100 Ų100158.7 Ų158.783%0.82681%0.809SS**  trans-164.479.4152.100000111.1
100Q29.3Very low30.4Very low210 Ų210153.5 Ų153.598%0.98181%0.806SS**  trans-73.1121.9153.2-81175.7-10.100108
101G27.3Very low29.9Very low73 Ų73157.4 Ų157.475%0.75381%0.812SS**  trans160.1119.5162.700000116.1
102A29.5Very low29.3Very low106 Ų106154 Ų15488%0.87681%0.812SS**  trans85.3104.3154.600000119.1
103R29.7Very low29.2Very low257 Ų257153.3 Ų153.397%0.9782%0.816SS**  trans-56.7140.4156.4-67.4173.2169.9178-3.8110.8
104G27.3Very low28.8Very low81 Ų81154 Ų15484%0.83581%0.814SS**  trans-163122.8169.400000112.1
105H26.2Very low28.5Very low179 Ų179154.3 Ų154.383%0.82982%0.816SS**  trans-86.6156-172.2-121.12.9000112.7
106R25.2Very low28.5Very low189 Ų189153.6 Ų153.671%0.71382%0.817SS**  trans89.3123.5145.4-76.3-179.4177.8-175.41.6122.1
107R24.5Very low28.3Very low207 Ų207156 Ų15678%0.78182%0.824SS**  84.3128.8124.1-75.1-179.8178.2-176.2-2.2120.7
108S31.9Very low28.2Very low106 Ų106155.3 Ų155.374%0.74183%0.828SS**  trans-47.2142.5159.655.50000114.6
109V24.9Very low28Very low142 Ų142153.6 Ų153.686%0.86183%0.83SS**  -157.6138.8129.3-147.90000110
110S31.9Very low27.9Very low107 Ų107157.3 Ų157.375%0.74883%0.832SS**  trans-73.6143.5161.2133.60000110.1
111R26Very low27.8Very low247 Ų247154.6 Ų154.693%0.93282%0.824SS**  trans-165131.1151.9-120.2173.4167.6162.4-3.6111
112G23.5Very low27.8Very low62 Ų62162.7 Ų162.764%0.63983%0.832SS**  trans-89.7-179.1177.700000114.7
113S29.7Very low27.7Very low92 Ų92162.2 Ų162.264%0.64383%0.828SS**  trans70.2146.3159.354.60000119.6
114Y24.7Very low27.7Very low213 Ų213156.2 Ų156.284%0.83582%0.82SS**  trans87.793.3169.8-43.1-71.3000117.1
115Q27.1Very low27.7Very low199 Ų199162.6 Ų162.693%0.9382%0.82SS**  -16497.4120-108.9167.5-100111.2
116L30.5Very low27.9Very low171 Ų171161.6 Ų161.690%0.89582%0.821SS**  trans-96.274.4170.4-148159.3000106.1
117Q28Very low28.1Very low192 Ų192161.3 Ų161.390%0.89783%0.828SS**  trans-166.277.1168.3-129.3152-4.300112.8
118A28.8Very low28.7Very low103 Ų103161.5 Ų161.585%0.85183%0.828SS**  trans-155.248.1156.600000109.7
119Q32Very low28.8Very low190 Ų190161.4 Ų161.489%0.88883%0.825SS**  trans-117.789.1161.3-89.5-172.3-11.500107.3
120M27.6Very low29.1Very low177 Ų177161.3 Ų161.387%0.87283%0.828SS**  trans-172.8133.3147.6-105.4167.1168.800107.8
121N27.5Very low29.5Very low153 Ų153159.8 Ų159.882%0.81883%0.829SS**SBendtrans93.777.2170.1-53.4-16.7000117.2
122R26.9Very low30.1Very low243 Ų243151.5 Ų151.592%0.91781%0.809SS**  -169.584113.8-104.5178.1179.3176.90.8110
123A27.6Very low31Very low97 Ų97155.9 Ų155.980%0.80282%0.817SS**  trans-89.1107.9156.700000106.9
124V29.2Very low31.4Very low130 Ų130157.6 Ų157.679%0.78882%0.823SS**  trans-112125.7160.61750000105.4D126V124-D126 PolarHBondContact O-N 2.77Å
125Y28.7Very low32.4Very low215 Ų215150.1 Ų150.184%0.84380%0.801SS**  trans-59.3125.9-175.6-71.8-99.2000111.4
126D30.6Very low34.1Very low158 Ų158145 Ų14585%0.84578%0.783SS**  trans-129.5104.4154.9-140.52.3000106.1V124 R128V124-D126 PolarHBondContact O-N 2.77Å; D126-R128 PolarHBondContact O-N 2.9Å
127E29.4Very low34.8Very low184 Ų184141.2 Ų141.286%0.8677%0.771SS**PPolyproline II helixtrans-64.4118.3-177.8-76.9-164.114700110
128R36.5Very low35.9Very low210 Ų210136.9 Ų136.979%0.79276%0.757SS**PPolyproline II helixtrans-85136.2169.5-69.6-178.9-178.8175.11.9109.5D126D126-R128 PolarHBondContact O-N 2.9Å
129P32.9Very low36.6Very low104 Ų104133.8 Ų133.868%0.67573%0.732SS**PPolyproline II helixtrans-64.8146.617724.8-31.5000111.4G131P129-G131 PolarHBondContact O-N 3.37Å; P129-G131 VanDerWaalsContact O-N 3.11Å
130P32.3Very low37.1Very low141 Ų141130.3 Ų130.392%0.91672%0.716SS**THydrogen-bonded Turntrans-71110.6-175.428.2-31.4000109.5
131G39.9Very low37.7Very low75 Ų75124.3 Ų124.377%0.77369%0.694SS**THydrogen-bonded Turntrans144.5-1.9-179.500000115.7P129 L133P129-G131 PolarHBondContact O-N 3.37Å; P129-G131 VanDerWaalsContact O-N 3.11Å; G131-L133 PolarHBondContact O-N 3.16Å; G131-L133 VanDerWaalsContact O-N 3.13Å
132S39.4Very low38.4Very low73 Ų73120.3 Ų120.351%0.5168%0.678SS.*  trans-70.1111.8176.2730000110.8V134S132-V134 PolarHBondContact O-N 3.01Å
133L41.3Very low39.1Very low153 Ų153117.4 Ų117.480%0.80167%0.668SS**PPolyproline II helixtrans-56.1124171.5-67.9163.9000109.7G131 P135G131-L133 PolarHBondContact O-N 3.16Å; G131-L133 VanDerWaalsContact O-N 3.13Å; L133-P135 WeakPolarHBondContact O-CD 3.41Å
134V39.3Very low39.6Very low128 Ų128116.8 Ų116.878%0.77666%0.662SS**PPolyproline II helixtrans-65.2119172.6-178.40000107.7S132 T136S132-V134 PolarHBondContact O-N 3.01Å; V134-T136 PolarHBondContact O-N 3.22Å
135P44.9Very low40.3Very low57 Ų57118.4 Ų118.437%0.3766%0.663SS.*PPolyproline II helixtrans-59129.4175.4-20.532.5000109.3L133 A139 E140L133-P135 WeakPolarHBondContact O-CD 3.41Å; P135-A139 HydrophobicContact CB-CB 4.14Å; P135-E140 HydrophobicContact CB-CG 4.28Å
136T61.8Low41Very low90 Ų90109.7 Ų109.755%0.55264%0.635SS**PPolyproline II helixtrans-67.7157.4174.350.80000110V134 V138 A139 E140V134-T136 PolarHBondContact O-N 3.22Å; T136-V138 PolarHBondContact O-N 3.4Å; T136-A139 WeakPolarHBondContact O-CA 3.14Å; T136-A139 WeakPolarHBondContact O-CB 3.31Å; T136-A139 PolarHBondContact O-N 2.85Å; T136-E140 PolarHBondContact O-N 2.97Å
137S46.9Very low41.7Very low92 Ų92104.2 Ų104.264%0.64362%0.616SS**Hα-helixtrans-53.7-26.7174.953.80000113.1A141S137-A141 VanDerWaalsContact O-CB 3.27Å; S137-A141 WeakPolarHBondContact O-CB 3.44Å; S137-A141 PolarHBondContact O-N 3.12Å
138V50.7Low42.7Very low101 Ų101103.8 Ų103.861%0.61262%0.62SS**Hα-helixtrans-70.1-38.2172.9-1730000112.1T136 S142T136-V138 PolarHBondContact O-N 3.4Å; V138-S142 WeakPolarHBondContact O-CB 3.44Å; V138-S142 PolarHBondContact O-N 3.18Å; V138-S142 PolarHBondContact O-OG 3.06Å
139A42.2Very low43.7Very low39 Ų3995.2 Ų95.232%0.32259%0.591SS.*Hα-helixtrans-72-33.4175.200000112.2P135 T136 R143P135-A139 HydrophobicContact CB-CB 4.14Å; T136-A139 WeakPolarHBondContact O-CA 3.14Å; T136-A139 WeakPolarHBondContact O-CB 3.31Å; T136-A139 PolarHBondContact O-N 2.85Å; A139-R143 PolarHBondContact O-N 3.16Å; A139-R143 VanDerWaalsContact O-N 3.12Å
140E44.3Very low45.4Very low116 Ų11692.9 Ų92.954%0.54258%0.575SS.*Hα-helixtrans-71.8-39.8172.2-69.4-174.7157.200112P135 T136 S142 R143 A144P135-E140 HydrophobicContact CB-CG 4.28Å; T136-E140 PolarHBondContact O-N 2.97Å; E140-S142 VanDerWaalsContact C-N 3.3Å; E140-S142 PolarHBondContact O-N 3.16Å; E140-R143 WeakPolarHBondContact O-CB 3.42Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-N 3.17Å; E140-A144 PolarHBondContact O-N 3.46Å
141A39.2Very low47.3Very low51 Ų5186.8 Ų86.842%0.42154%0.535SS..Hα-helixtrans-63.7-35.5171.700000112.2S137 R143 A144 M145S137-A141 VanDerWaalsContact O-CB 3.27Å; S137-A141 WeakPolarHBondContact O-CB 3.44Å; S137-A141 PolarHBondContact O-N 3.12Å; A141-R143 VanDerWaalsContact C-N 3.34Å; A141-A144 PolarHBondContact O-N 2.92Å; A141-M145 WeakPolarHBondContact O-CB 3.46Å; A141-M145 VanDerWaalsContact O-CG 3.22Å; A141-M145 WeakPolarHBondContact O-CG 3.46Å; A141-M145 PolarHBondContact O-N 2.98Å
142S42Very low48.8Very low69 Ų6985.5 Ų85.548%0.48351%0.513SS..Hα-helixtrans-65.2-36.5173.3-580000112.2V138 E140 A146V138-S142 WeakPolarHBondContact O-CB 3.44Å; V138-S142 PolarHBondContact O-N 3.18Å; V138-S142 PolarHBondContact O-OG 3.06Å; E140-S142 VanDerWaalsContact C-N 3.3Å; E140-S142 PolarHBondContact O-N 3.16Å; S142-A146 WeakPolarHBondContact O-CB 3.01Å; S142-A146 PolarHBondContact O-N 3.01Å
143R41.9Very low50.3Low183 Ų18385.6 Ų85.669%0.69151%0.506SS*.Hα-helixtrans-69.4-37.6170.8-77.6-179.6179.4172.9-0.9112.5A139 E140 A141 A146A139-R143 PolarHBondContact O-N 3.16Å; A139-R143 VanDerWaalsContact O-N 3.12Å; E140-R143 WeakPolarHBondContact O-CB 3.42Å; E140-R143 PolarHBondContact O-N 3.44Å; E140-R143 VanDerWaalsContact O-N 3.17Å; A141-R143 VanDerWaalsContact C-N 3.34Å; R143-A146 CarbonylContact O-C 3.58Å; R143-A146 PolarHBondContact O-N 3.23Å
144A38.4Very low51.8Low83 Ų8378.9 Ų78.969%0.68647%0.471SS*.Hα-helixtrans-71.7-30.4178.800000113.1E140 A141E140-A144 PolarHBondContact O-N 3.46Å; A141-A144 PolarHBondContact O-N 2.92Å
145M44.4Very low53.6Low165 Ų16573.1 Ų73.181%0.81344%0.435SS*.Hα-helixtrans-77.2-24.3173-68.8-73.3-81.300112.5A141 G147A141-M145 WeakPolarHBondContact O-CB 3.46Å; A141-M145 VanDerWaalsContact O-CG 3.22Å; A141-M145 WeakPolarHBondContact O-CG 3.46Å; A141-M145 PolarHBondContact O-N 2.98Å; M145-G147 PolarHBondContact O-N 2.89Å
146A43.5Very low55Low31 Ų3171.4 Ų71.426%0.25643%0.426SS..SBendtrans-88.177.4167.500000108.8S142 R143S142-A146 WeakPolarHBondContact O-CB 3.01Å; S142-A146 PolarHBondContact O-N 3.01Å; R143-A146 CarbonylContact O-C 3.58Å; R143-A146 PolarHBondContact O-N 3.23Å
147G44.1Very low55.7Low43 Ų4368.4 Ų68.444%0.44341%0.405SS..  trans-46.4149.4169.200000110.7M145 T149M145-G147 PolarHBondContact O-N 2.89Å; G147-T149 PolarHBondContact O-N 3.33Å; G147-T149 PolarHBondContact O-OG1 3.15Å
148D49.9Very low57.1Low176 Ų17667.4 Ų67.494%0.94140%0.403SS*.SBendtrans-62.158.8-178.3-79.8-32.7000112.9
149T58.3Low58.4Low29 Ų2964 Ų6418%0.17839%0.388CS..  trans-87.4125-177.659.10000108.7G147 E153 N154 R416G147-T149 PolarHBondContact O-N 3.33Å; G147-T149 PolarHBondContact O-OG1 3.15Å; T149-E153 WeakPolarHBondContact CB-OE2 3.37Å; T149-N154 PolarHBondContact OG1-OD1 2.81Å; T149-R416 PolarHBondContact OG1-NH1 2.94Å
150T68.9Low60.5Low56 Ų5666.3 Ų66.334%0.34439%0.393SS..  trans-62.415417759.20000111.6S152 E153 N154T150-S152 WeakPolarHBondContact CB-OG 3.44Å; T150-S152 PolarHBondContact O-N 2.94Å; T150-S152 VanDerWaalsContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.2Å; T150-E153 PolarHBondContact N-OE1 2.93Å; T150-E153 WeakPolarHBondContact O-CA 3.36Å; T150-E153 WeakPolarHBondContact O-CB 3.49Å; T150-E153 PolarHBondContact O-N 2.87Å; T150-E153 WeakPolarHBondContact OG1-CG 3.31Å; T150-E153 PolarHBondContact OG1-N 3.2Å; T150-E153 PolarHBondContact OG1-OE1 2.88Å; T150-N154 PolarHBondContact O-N 3.42Å; T150-N154 VanDerWaalsContact O-N 3.11Å
151L71.6Confident62.6Low13 Ų1364 Ų647%0.06838%0.382CS..Hα-helixtrans-55-33.4175.8-17267.1000112.3N154 Y155 C420 D434 V443L151-N154 WeakPolarHBondContact O-CB 3.37Å; L151-N154 PolarHBondContact O-N 2.62Å; L151-Y155 HydrophobicContact CD1-CD2 4.08Å; L151-Y155 HydrophobicContact CD1-CE2 3.74Å; L151-Y155 HydrophobicContact CG-CD2 4.24Å; L151-Y155 HydrophobicContact CG-CE2 4.34Å; L151-Y155 WeakPolarHBondContact O-CD2 3.46Å; L151-Y155 PolarHBondContact O-N 2.86Å; L151-Y155 VanDerWaalsContact O-N 3.12Å; L151-C420 WeakPolarHBondContact CD2-SG 3.04Å; L151-D434 HydrophobicContact CD2-CB 3.83Å; L151-D434 VanDerWaalsContact CD2-CG 3.45Å; L151-D434 WeakPolarHBondContact CD2-OD2 3.16Å; L151-V443 HydrophobicContact CD2-CG2 3.89Å; L151-V443 HydrophobicContact CG-CG1 4.25Å; L151-V443 HydrophobicContact CG-CG2 4.47Å
152S70.9Confident65.1Low47 Ų4762.8 Ų62.833%0.32937%0.368SS..Hα-helixtrans-64.2-36.5172.640.90000113.9T150 N154 Y155 A156T150-S152 WeakPolarHBondContact CB-OG 3.44Å; T150-S152 PolarHBondContact O-N 2.94Å; T150-S152 VanDerWaalsContact O-N 3.15Å; T150-S152 PolarHBondContact OG1-OG 3.2Å; S152-N154 VanDerWaalsContact C-N 3.34Å; S152-Y155 CarbonylContact O-C 3.56Å; S152-A156 PolarHBondContact O-N 2.58Å
153E72.4Confident67.5Low75 Ų7561.5 Ų61.535%0.3536%0.355SS..Hα-helixtrans-69.5-35.9172.9-74.6164-121.700111.3T149 T150 Y155 A156 K482T149-E153 WeakPolarHBondContact CB-OE2 3.37Å; T150-E153 PolarHBondContact N-OE1 2.93Å; T150-E153 WeakPolarHBondContact O-CA 3.36Å; T150-E153 WeakPolarHBondContact O-CB 3.49Å; T150-E153 PolarHBondContact O-N 2.87Å; T150-E153 WeakPolarHBondContact OG1-CG 3.31Å; T150-E153 PolarHBondContact OG1-N 3.2Å; T150-E153 PolarHBondContact OG1-OE1 2.88Å; E153-Y155 VanDerWaalsContact C-N 3.32Å; E153-Y155 PolarHBondContact O-N 2.9Å; E153-A156 WeakPolarHBondContact O-CB 3.32Å; E153-A156 PolarHBondContact O-N 2.97Å; E153-K482 IonicContact OE2-NZ 2.69Å; E153-K482 PolarHBondContact OE2-NZ 2.93Å; E153-K482 VanDerWaalsContact OE2-NZ 3.11Å
154N72.9Confident69.9Low12 Ų1253.1 Ų53.16%0.06432%0.324CS..Hα-helixtrans-62.1-43.1176.9-70.6-29.7000110.5T149 T150 L151 S152 A156 M413 R416 R479T149-N154 PolarHBondContact OG1-OD1 2.81Å; T150-N154 PolarHBondContact O-N 3.42Å; T150-N154 VanDerWaalsContact O-N 3.11Å; L151-N154 WeakPolarHBondContact O-CB 3.37Å; L151-N154 PolarHBondContact O-N 2.62Å; S152-N154 VanDerWaalsContact C-N 3.34Å; N154-A156 VanDerWaalsContact C-N 3.31Å; N154-A156 PolarHBondContact O-N 2.86Å; N154-M413 HydrophobicContact CB-SD 3.75Å; N154-R416 PolarHBondContact OD1-NH1 2.9Å; N154-R479 PolarHBondContact O-NE 2.85Å; N154-R479 PolarHBondContact O-NH2 3.15Å
155Y75.3Confident72.5Confident7 Ų753 Ų533%0.02731%0.311CS..THydrogen-bonded Turntrans-94.327.7177.6-65.8-73.3000113.6L151 S152 E153 F157 C410 C420 F432 N444L151-Y155 HydrophobicContact CD1-CD2 4.08Å; L151-Y155 HydrophobicContact CD1-CE2 3.74Å; L151-Y155 HydrophobicContact CG-CD2 4.24Å; L151-Y155 HydrophobicContact CG-CE2 4.34Å; L151-Y155 WeakPolarHBondContact O-CD2 3.46Å; L151-Y155 PolarHBondContact O-N 2.86Å; L151-Y155 VanDerWaalsContact O-N 3.12Å; S152-Y155 CarbonylContact O-C 3.56Å; E153-Y155 VanDerWaalsContact C-N 3.32Å; E153-Y155 PolarHBondContact O-N 2.9Å; Y155-F157 VanDerWaalsContact O-CD2 3.29Å; Y155-F157 WeakPolarHBondContact O-CD2 3.08Å; Y155-F157 WeakPolarHBondContact O-CE2 3.33Å; Y155-C410 HydrophobicContact CE1-CB 3.58Å; Y155-C410 VanDerWaalsContact OH-CB 3.27Å; Y155-C410 WeakPolarHBondContact OH-CB 3.38Å; Y155-C420 HydrophobicContact CD2-CB 4.14Å; Y155-C420 HydrophobicContact CE1-CB 4.5Å; Y155-C420 HydrophobicContact CE2-CB 3.51Å; Y155-C420 WeakPolarHBondContact CE2-SG 3.37Å; Y155-F432 HydrophobicContact CD1-CD1 4.01Å; Y155-F432 AromaticContact CD1-CE1 3.9Å; Y155-F432 HydrophobicContact CD1-CE1 3.9Å; Y155-F432 HydrophobicContact CG-CD1 4.03Å; Y155-F432 HydrophobicContact CG-CE1 4.28Å; Y155-N444 PolarHBondContact O-ND2 3.07Å
156A74.5Confident74.7Confident22 Ų2248 Ų4818%0.18229%0.286CS..  trans-79.1138.5172.300000111.4S152 E153 N154 R479 E480S152-A156 PolarHBondContact O-N 2.58Å; E153-A156 WeakPolarHBondContact O-CB 3.32Å; E153-A156 PolarHBondContact O-N 2.97Å; N154-A156 VanDerWaalsContact C-N 3.31Å; N154-A156 PolarHBondContact O-N 2.86Å; A156-R479 WeakPolarHBondContact O-CG 3.1Å; A156-E480 PolarHBondContact O-N 2.95Å; A156-E480 VanDerWaalsContact O-N 3.13Å
157F77.9Confident76.9Confident27 Ų2746.7 Ų46.712%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-113.5129.6179-73.9-98.7000109.9Y155 G159 F432 L446 F458 L465 W477 R478 R479Y155-F157 VanDerWaalsContact O-CD2 3.29Å; Y155-F157 WeakPolarHBondContact O-CD2 3.08Å; Y155-F157 WeakPolarHBondContact O-CE2 3.33Å; F157-G159 PolarHBondContact O-N 2.94Å; F157-F432 HydrophobicContact CD2-CZ 4.23Å; F157-F432 AromaticContact CE2-CE1 3.79Å; F157-F432 HydrophobicContact CE2-CE1 3.79Å; F157-F432 HydrophobicContact CE2-CE2 4.13Å; F157-F432 AromaticContact CE2-CZ 3.3Å; F157-F432 HydrophobicContact CE2-CZ 3.3Å; F157-F432 HydrophobicContact CZ-CE1 4.26Å; F157-F432 AromaticContact CZ-CZ 3.79Å; F157-F432 HydrophobicContact CZ-CZ 3.79Å; F157-L446 HydrophobicContact CB-CD2 4.04Å; F157-L446 HydrophobicContact CD2-CD1 4.02Å; F157-L446 HydrophobicContact CD2-CD2 3.97Å; F157-L446 HydrophobicContact CD2-CG 4.5Å; F157-L446 HydrophobicContact CE2-CD1 4.2Å; F157-L446 HydrophobicContact CG-CD1 4.21Å; F157-L446 HydrophobicContact CG-CD2 4.14Å; F157-F458 HydrophobicContact CZ-CE1 4.21Å; F157-F458 HydrophobicContact CZ-CZ 4.5Å; F157-L465 HydrophobicContact CE1-CB 3.58Å; F157-L465 HydrophobicContact CE1-CD2 4.28Å; F157-L465 HydrophobicContact CZ-CB 3.77Å; F157-L465 HydrophobicContact CZ-CD2 3.86Å; F157-L465 HydrophobicContact CZ-CG 4.49Å; F157-W477 HydrophobicContact CD1-CB 3.5Å; F157-W477 HydrophobicContact CE1-CB 3.82Å; F157-W477 HydrophobicContact CG-CB 4.39Å; F157-R478 CarbonylContact C-O 3.58Å; F157-R478 WeakPolarHBondContact CA-O 3.45Å; F157-R478 WeakPolarHBondContact CD1-O 3.47Å; F157-R479 HydrophobicContact CD1-CB 4.48Å; F157-R479 HydrophobicContact CE1-CB 4.42Å
158A74.9Confident78.9Confident71 Ų7149.2 Ų49.259%0.58728%0.281SS*.EExtended strand (participates in β ladder)trans-65.4-20175.500000112R478 E480A158-R478 PolarHBondContact N-O 3.16Å; A158-E480 HydrophobicContact CB-CB 4.13Å; A158-E480 HydrophobicContact CB-CG 4.39Å
159G78.9Confident80.5Confident29 Ų2947.8 Ų47.830%0.29927%0.273SS..EExtended strand (participates in β ladder)trans139-161.4173.400000112.7F157 H161 R478F157-G159 PolarHBondContact O-N 2.94Å; G159-H161 PolarHBondContact O-N 2.9Å; G159-R478 PolarHBondContact O-N 3Å
160M87.2Confident82.2Confident88 Ų8847.2 Ų47.243%0.43327%0.271SS..EExtended strand (participates in β ladder)trans-73.7124.1177.3-61.6168.4178.800110.2I163 I475 W477M160-I163 HydrophobicContact SD-CD1 4.21Å; M160-I475 HydrophobicContact CB-CG2 4.42Å; M160-I475 HydrophobicContact CE-CD1 4.29Å; M160-I475 HydrophobicContact CG-CG2 3.9Å; M160-W477 HydrophobicContact CE-CH2 3.59Å; M160-W477 HydrophobicContact CE-CZ3 3.75Å; M160-W477 HydrophobicContact CG-CE3 3.91Å; M160-W477 HydrophobicContact CG-CH2 4.22Å; M160-W477 HydrophobicContact CG-CZ3 3.64Å
161H87.4Confident83.4Confident67 Ų6745.3 Ų45.331%0.3126%0.26SS..EExtended strand (participates in β ladder)trans-79-52.3172.7-175.5-110.3000111.3G159 L464 V476 R478G159-H161 PolarHBondContact O-N 2.9Å; H161-L464 HydrophobicContact CB-CD2 4.48Å; H161-V476 WeakPolarHBondContact CA-O 3.28Å; H161-V476 HydrophobicContact CB-CB 4.34Å; H161-V476 HydrophobicContact CB-CG1 4.1Å; H161-V476 VanDerWaalsContact CB-O 3.28Å; H161-V476 WeakPolarHBondContact CB-O 3.41Å; H161-V476 PolarHBondContact N-O 2.91Å; H161-R478 HydrophobicContact CB-CB 4.07Å
162H91.2Very high84.6Confident26 Ų2644.7 Ų44.712%0.1226%0.257CS..EExtended strand (participates in β ladder)trans-155157.3-177.6-162.777.4000110.8F164 P204 V476H162-F164 AromaticContact CD2-CD1 3.69Å; H162-F164 AromaticContact CD2-CD2 3.79Å; H162-F164 AromaticContact CD2-CE1 3.51Å; H162-F164 AromaticContact CD2-CE2 3.62Å; H162-F164 AromaticContact CD2-CG 3.83Å; H162-F164 AromaticContact CD2-CZ 3.48Å; H162-F164 VanDerWaalsContact CD2-CZ 3.48Å; H162-F164 WeakPolarHBondContact CD2-CZ 3.32Å; H162-F164 AromaticContact NE2-CD1 3.74Å; H162-F164 AromaticContact NE2-CE1 3.58Å; H162-P204 HydrophobicContact CB-CB 4.21Å; H162-P204 HydrophobicContact CB-CG 4.06Å; H162-P204 PolarHBondContact CE1-O 2.87Å; H162-V476 HydrophobicContact CB-CB 4.47Å; H162-V476 PolarHBondContact N-O 3.37Å; H162-V476 PolarHBondContact O-N 2.91Å
163I92.7Very high85.8Confident41 Ų4143.3 Ų43.321%0.2125%0.247CC..EExtended strand (participates in β ladder)trans-128.6126175.2-61167000106.8M160 M473 V474 I475M160-I163 HydrophobicContact SD-CD1 4.21Å; I163-M473 HydrophobicContact CB-CE 4.43Å; I163-M473 HydrophobicContact CD1-CE 3.7Å; I163-M473 HydrophobicContact CG1-CE 4.06Å; I163-M473 HydrophobicContact CG2-CE 3.51Å; I163-M473 HydrophobicContact CG2-CG 3.83Å; I163-V474 CarbonylContact C-O 3.53Å; I163-V474 WeakPolarHBondContact CA-O 3.27Å; I163-I475 HydrophobicContact CG1-CG1 4.4Å
164F92.9Very high86.9Confident8 Ų842.1 Ų42.14%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-104.5133.9168.9-58.2-83.2000109.2H162 M197 L199 P204 V206 V474 V476H162-F164 AromaticContact CD2-CD1 3.69Å; H162-F164 AromaticContact CD2-CD2 3.79Å; H162-F164 AromaticContact CD2-CE1 3.51Å; H162-F164 AromaticContact CD2-CE2 3.62Å; H162-F164 AromaticContact CD2-CG 3.83Å; H162-F164 AromaticContact CD2-CZ 3.48Å; H162-F164 VanDerWaalsContact CD2-CZ 3.48Å; H162-F164 WeakPolarHBondContact CD2-CZ 3.32Å; H162-F164 AromaticContact NE2-CD1 3.74Å; H162-F164 AromaticContact NE2-CE1 3.58Å; F164-M197 HydrophobicContact CB-SD 3.96Å; F164-M197 HydrophobicContact CD1-CG 4.12Å; F164-M197 HydrophobicContact CD1-SD 3.96Å; F164-M197 HydrophobicContact CD2-CG 4.33Å; F164-M197 HydrophobicContact CD2-SD 3.39Å; F164-M197 WeakPolarHBondContact CD2-SD 3.25Å; F164-M197 HydrophobicContact CE1-CB 4.12Å; F164-M197 HydrophobicContact CE1-CG 3.98Å; F164-M197 HydrophobicContact CE1-SD 4.25Å; F164-M197 HydrophobicContact CE2-CB 4.06Å; F164-M197 HydrophobicContact CE2-CG 4.2Å; F164-M197 HydrophobicContact CE2-SD 3.72Å; F164-M197 HydrophobicContact CG-CG 4.29Å; F164-M197 HydrophobicContact CG-SD 3.53Å; F164-M197 VanDerWaalsContact CG-SD 3.53Å; F164-M197 HydrophobicContact CZ-CB 3.76Å; F164-M197 HydrophobicContact CZ-CG 4.02Å; F164-M197 HydrophobicContact CZ-SD 4.13Å; F164-L199 HydrophobicContact CE2-CD2 3.73Å; F164-L199 HydrophobicContact CZ-CD2 3.79Å; F164-P204 HydrophobicContact CE1-CB 4.31Å; F164-P204 HydrophobicContact CZ-CB 3.81Å; F164-V206 HydrophobicContact CD1-CG2 4.29Å; F164-V474 HydrophobicContact CB-CB 4.19Å; F164-V474 HydrophobicContact CD2-CG1 4.26Å; F164-V474 PolarHBondContact N-O 2.85Å; F164-V474 PolarHBondContact O-N 3.42Å; F164-V476 HydrophobicContact CD2-CG2 4.29Å; F164-V476 HydrophobicContact CE2-CG2 3.99Å
165D91.9Very high88Confident80 Ų8041.6 Ų41.643%0.42824%0.237SC..  trans-134.129-175.363.5-20.8000111.8H167 V168D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 2.81Å; D165-V168 WeakPolarHBondContact O-CG2 3.38Å
166Q90.6Very high89Confident59 Ų5943.5 Ų43.528%0.27625%0.246SC..  trans-69.3-29.3-176.674.8-78.114.900113.5V168 C187 S195 V206Q166-V168 PolarHBondContact O-N 3.04Å; Q166-C187 PolarHBondContact NE2-SG 3.13Å; Q166-C187 VanDerWaalsContact NE2-SG 3.41Å; Q166-S195 VanDerWaalsContact NE2-CB 3.3Å; Q166-S195 PolarHBondContact NE2-OG 3.04Å; Q166-V206 HydrophobicContact CB-CG2 4.39Å; Q166-V206 HydrophobicContact CG-CG2 4.27Å
167H90.1Very high90Very high4 Ų442.6 Ų42.62%0.01924%0.238CC..SBendtrans-94.363.4-178.7-62.8-62.3000110.7D165 D169 S170 V172 S189 D191 T193 S195 G472D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 2.81Å; H167-D169 PolarHBondContact O-N 3.02Å; H167-S170 PolarHBondContact O-N 2.81Å; H167-V172 HydrophobicContact CB-CG2 4.14Å; H167-S189 VanDerWaalsContact CG-CB 3.46Å; H167-S189 VanDerWaalsContact ND1-CB 3.3Å; H167-S189 WeakPolarHBondContact ND1-CB 3.47Å; H167-S189 PolarHBondContact ND1-OG 3.02Å; H167-D191 IonicContact CE1-OD2 3.65Å; H167-D191 IonicContact CG-OD2 2.88Å; H167-D191 IonicContact ND1-OD1 3.9Å; H167-D191 IonicContact ND1-OD2 3.24Å; H167-D191 PolarHBondContact ND1-OD2 2.93Å; H167-T193 PolarHBondContact CE1-OG1 2.67Å; H167-S195 PolarHBondContact CE1-OG 2.96Å; H167-S195 PolarHBondContact NE2-OG 3.12Å; H167-G472 WeakPolarHBondContact O-CA 3.08Å
168V85.5Confident90.8Very high96 Ų9641.4 Ų41.458%0.58223%0.233SC*.THydrogen-bonded Turntrans-58.3125.7-173-175.50000111.5D165 Q166 S170D165-V168 WeakPolarHBondContact O-CG2 3.38Å; Q166-V168 PolarHBondContact O-N 3.04Å; V168-S170 PolarHBondContact O-N 3.49Å; V168-S170 VanDerWaalsContact O-N 3.11Å
169D85.4Confident91.4Very high146 Ų14640.9 Ų40.978%0.78122%0.22SC*.THydrogen-bonded Turntrans57.421.2177.4-61.9-34000114.6H167 T471H167-D169 PolarHBondContact O-N 3.02Å; D169-T471 PolarHBondContact N-O 2.87Å
170S93.2Very high91.8Very high17 Ų1745 Ų4512%0.11924%0.236CC..SBendtrans-121.6128.4175.3177.70000110.3H167 V168 S189 L190 D191 G472H167-S170 PolarHBondContact O-N 2.81Å; V168-S170 PolarHBondContact O-N 3.49Å; V168-S170 VanDerWaalsContact O-N 3.11Å; S170-S189 WeakPolarHBondContact CB-OG 3.25Å; S170-S189 PolarHBondContact OG-OG 3.18Å; S170-L190 PolarHBondContact OG-N 3.28Å; S170-D191 PolarHBondContact OG-N 3.17Å; S170-G472 WeakPolarHBondContact O-CA 3.29Å; S170-G472 PolarHBondContact O-N 3.29Å; S170-G472 VanDerWaalsContact O-N 3.17Å
171A94.4Very high91.8Very high16 Ų1643.9 Ų43.913%0.13223%0.231CC..  trans-61.7142.2-179.500000111.7P173 S189 L190 L454 S470A171-P173 WeakPolarHBondContact O-CD 3.4Å; A171-S189 WeakPolarHBondContact O-CA 3.43Å; A171-L190 HydrophobicContact CB-CD1 3.75Å; A171-L190 HydrophobicContact CB-CG 4.04Å; A171-L190 PolarHBondContact O-N 2.84Å; A171-L454 HydrophobicContact CB-CD1 3.88Å; A171-S470 VanDerWaalsContact CA-O 3.31Å; A171-S470 WeakPolarHBondContact CA-O 3.49Å; A171-S470 WeakPolarHBondContact CB-O 3.32Å; A171-S470 PolarHBondContact N-O 2.99Å
172V96.8Very high91.8Very high0 Ų044.7 Ų44.70%023%0.234CC..  trans-106.189.9173.3170.60000107.5H167 R174 C187 C188 A468 D469 V474H167-V172 HydrophobicContact CB-CG2 4.14Å; V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.49Å; V172-C187 HydrophobicContact CG1-CB 3.68Å; V172-C188 VanDerWaalsContact CA-O 3.28Å; V172-C188 WeakPolarHBondContact CA-O 3.41Å; V172-C188 VanDerWaalsContact CG1-O 3.3Å; V172-C188 WeakPolarHBondContact CG1-O 3.35Å; V172-A468 HydrophobicContact CB-CB 3.91Å; V172-A468 HydrophobicContact CG1-CB 3.44Å; V172-A468 VanDerWaalsContact CG1-CB 3.44Å; V172-D469 PolarHBondContact N-O 3.43Å; V172-D469 VanDerWaalsContact N-O 3.14Å; V172-V474 HydrophobicContact CG1-CG2 4.13Å; V172-V474 HydrophobicContact CG2-CG2 4.45Å
173P95.5Very high91.8Very high18 Ų1846.5 Ų46.512%0.11724%0.242CC..  trans-72.2-25.8-172.728.6-36.4000113A171 C188 L190 V217A171-P173 WeakPolarHBondContact O-CD 3.4Å; P173-C188 WeakPolarHBondContact CD-O 3.02Å; P173-L190 HydrophobicContact CG-CD2 3.87Å; P173-L190 HydrophobicContact CG-CG 4.48Å; P173-V217 WeakPolarHBondContact CG-O 3.4Å
174R96.1Very high91.9Very high50 Ų5045.1 Ų45.119%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-133.6141.2-179.8-155.179.2169115.61112.1V172 C187 C188 D219 F220 H406 D455V172-R174 VanDerWaalsContact C-N 3.31Å; V172-R174 PolarHBondContact O-N 3.49Å; R174-C187 WeakPolarHBondContact O-CA 3.05Å; R174-C188 WeakPolarHBondContact CB-SG 3.47Å; R174-C188 PolarHBondContact O-N 2.54Å; R174-D219 WeakPolarHBondContact CD-OD1 3.45Å; R174-D219 WeakPolarHBondContact CG-OD1 3.34Å; R174-D219 IonicContact NE-OD1 3.74Å; R174-D219 PolarHBondContact NE-OD1 3.11Å; R174-F220 HydrophobicContact CB-CD1 3.92Å; R174-F220 HydrophobicContact CB-CE1 3.87Å; R174-F220 HydrophobicContact CG-CD1 4.02Å; R174-F220 HydrophobicContact CG-CE1 3.92Å; R174-H406 PolarHBondContact NH1-ND1 2.85Å; R174-H406 VanDerWaalsContact NH1-ND1 3.11Å; R174-D455 VanDerWaalsContact CA-OD2 3.29Å; R174-D455 WeakPolarHBondContact CA-OD2 3.31Å; R174-D455 VanDerWaalsContact CD-OD2 3.23Å; R174-D455 WeakPolarHBondContact CD-OD2 3.14Å; R174-D455 WeakPolarHBondContact CG-OD2 3.45Å; R174-D455 IonicContact CZ-OD2 3.71Å; R174-D455 IonicContact NE-OD2 3.63Å; R174-D455 IonicContact NH1-OD1 3.34Å; R174-D455 PolarHBondContact NH1-OD1 3.13Å; R174-D455 IonicContact NH1-OD2 3.63Å; R174-D455 PolarHBondContact NH1-OD2 3.47Å
175L96.3Very high92.1Very high1 Ų144.8 Ų44.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-146132.1175.1175.4142.1000109.9L185 A186 C187 D455 S457 A466 A468 V474L175-L185 HydrophobicContact CD1-CD1 4.26Å; L175-L185 HydrophobicContact CD1-CD2 4.19Å; L175-L185 HydrophobicContact CD1-CG 4.43Å; L175-L185 HydrophobicContact CD2-CD1 3.77Å; L175-L185 HydrophobicContact CG-CD1 3.86Å; L175-L185 HydrophobicContact CG-CG 4.48Å; L175-A186 WeakPolarHBondContact CA-O 3.25Å; L175-C187 HydrophobicContact CB-CB 4.37Å; L175-C187 HydrophobicContact CD1-CB 4.16Å; L175-C187 HydrophobicContact CG-CB 4.46Å; L175-D455 HydrophobicContact CB-CB 4.28Å; L175-D455 PolarHBondContact N-OD2 3.41Å; L175-S457 WeakPolarHBondContact O-CB 3.49Å; L175-A466 HydrophobicContact CD1-CB 4.17Å; L175-A466 HydrophobicContact CD2-CB 3.43Å; L175-A466 VanDerWaalsContact CD2-CB 3.43Å; L175-A466 HydrophobicContact CG-CB 4.4Å; L175-A468 HydrophobicContact CB-CB 4.05Å; L175-A468 HydrophobicContact CD1-CB 4.09Å; L175-V474 HydrophobicContact CD1-CB 4.21Å; L175-V474 HydrophobicContact CD1-CG1 3.3Å; L175-V474 HydrophobicContact CD1-CG2 3.87Å
176Q95.9Very high92.3Very high47 Ų4741 Ų4122%0.2221%0.214CC..EExtended strand (participates in β ladder)trans-148.3131.1-177.7-157.3-174.4-0.200111.2A186 F220 W222Q176-A186 PolarHBondContact N-O 3.11Å; Q176-A186 PolarHBondContact O-N 2.95Å; Q176-F220 HydrophobicContact CB-CE2 4Å; Q176-F220 HydrophobicContact CB-CZ 3.78Å; Q176-W222 PolarHBondContact O-NE1 3.16Å; Q176-W222 VanDerWaalsContact O-NE1 3.09Å
177F95.4Very high92.6Very high4 Ų438.2 Ų38.22%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-68.4152164.7-81.3-84.5000110.8L184 L185 L199 S457 F458 N459 L464 A466F177-L184 WeakPolarHBondContact CD1-O 3.24Å; F177-L185 HydrophobicContact CB-CD1 4.43Å; F177-L185 HydrophobicContact CD1-CB 4.09Å; F177-L185 HydrophobicContact CD1-CD1 3.95Å; F177-L185 HydrophobicContact CD2-CD1 3.67Å; F177-L185 HydrophobicContact CE1-CB 4.04Å; F177-L185 HydrophobicContact CE1-CD1 4.08Å; F177-L185 HydrophobicContact CE1-CG 4.47Å; F177-L185 HydrophobicContact CE2-CD1 3.84Å; F177-L185 HydrophobicContact CG-CD1 3.75Å; F177-L185 HydrophobicContact CZ-CD1 4.03Å; F177-L185 HydrophobicContact CZ-CD2 4.43Å; F177-L199 HydrophobicContact CE1-CD1 3.73Å; F177-L199 HydrophobicContact CZ-CD1 4.17Å; F177-S457 WeakPolarHBondContact CD2-O 3.4Å; F177-S457 VanDerWaalsContact CE2-O 3.29Å; F177-S457 WeakPolarHBondContact CE2-O 3.32Å; F177-S457 PolarHBondContact N-OG 3.36Å; F177-F458 WeakPolarHBondContact CB-O 3.3Å; F177-F458 WeakPolarHBondContact CD2-O 3.41Å; F177-N459 HydrophobicContact CB-CB 4.31Å; F177-N459 HydrophobicContact CD1-CB 3.53Å; F177-N459 HydrophobicContact CD2-CB 3.96Å; F177-N459 HydrophobicContact CE1-CB 3.7Å; F177-N459 HydrophobicContact CE2-CB 4.08Å; F177-N459 HydrophobicContact CG-CB 3.68Å; F177-N459 HydrophobicContact CZ-CB 3.98Å; F177-L464 HydrophobicContact CZ-CB 4.04Å; F177-A466 HydrophobicContact CD2-CB 4.32Å; F177-A466 HydrophobicContact CE2-CB 3.43Å; F177-A466 VanDerWaalsContact CE2-CB 3.43Å; F177-A466 HydrophobicContact CZ-CB 3.91Å
178A93.8Very high93Very high2 Ų238 Ų382%0.01720%0.2CC..  trans-61.9151.3168.200000110.6D181 L184 W222 N226A178-D181 HydrophobicContact CB-CB 4.14Å; A178-L184 HydrophobicContact CB-CB 3.82Å; A178-L184 HydrophobicContact CB-CD2 4.08Å; A178-L184 HydrophobicContact CB-CG 4.31Å; A178-L184 PolarHBondContact N-O 2.95Å; A178-W222 HydrophobicContact CB-CD2 4.39Å; A178-W222 HydrophobicContact CB-CE3 4.5Å; A178-W222 HydrophobicContact CB-CH2 4.46Å; A178-W222 HydrophobicContact CB-CZ2 4.33Å; A178-N226 HydrophobicContact CB-CB 4.2Å
179N89.1Confident93.5Very high60 Ų6033.4 Ų33.432%0.32117%0.172SC..SBendtrans-68.9-40.6-175.2-64.1-47.3000112.1S223 N226 C460N179-S223 PolarHBondContact ND2-O 3.16Å; N179-S223 VanDerWaalsContact ND2-O 3.09Å; N179-N226 PolarHBondContact N-OD1 2.9Å; N179-C460 VanDerWaalsContact O-CB 3.27Å; N179-C460 WeakPolarHBondContact O-CB 3.49Å
180D85.6Confident94Very high116 Ų11630 Ų3062%0.6215%0.153SC*.SBendtrans-106.6-23-174.6-60.6-30.7000112.9N226D180-N226 WeakPolarHBondContact CB-ND2 3.29Å; D180-N226 PolarHBondContact N-ND2 2.63Å; D180-N226 PolarHBondContact OD2-ND2 3.45Å
181D88Confident94.1Very high64 Ų6432.6 Ų32.634%0.34217%0.166SC..  trans-103.3113.9-177.3-170.4-9.8000112.2A178 H183 L184A178-D181 HydrophobicContact CB-CB 4.14Å; D181-H183 PolarHBondContact O-N 2.99Å; D181-H183 PolarHBondContact OD1-N 2.96Å; D181-L184 HydrophobicContact CB-CB 3.94Å; D181-L184 PolarHBondContact O-N 3.31Å
182K87.7Confident94.1Very high84 Ų8432 Ų3237%0.36516%0.162SC..THydrogen-bonded Turntrans-67-16.2178.264.8176.3176-171.10114.6N459 C460 D461K182-N459 PolarHBondContact O-ND2 3.08Å; K182-C460 PolarHBondContact N-SG 3.33Å; K182-C460 VanDerWaalsContact N-SG 3.41Å; K182-D461 HydrophobicContact CD-CB 4.49Å; K182-D461 WeakPolarHBondContact CD-OD2 3.25Å; K182-D461 IonicContact NZ-OD2 3.53Å
183H91.4Very high94.1Very high63 Ų6333.1 Ų33.129%0.29217%0.168SC..THydrogen-bonded Turntrans-105.4-5.3-175.2-64.4-50.2000113.3D181 A198 L199 S200D181-H183 PolarHBondContact O-N 2.99Å; D181-H183 PolarHBondContact OD1-N 2.96Å; H183-A198 CarbonylContact O-C 3.39Å; H183-A198 WeakPolarHBondContact O-CA 2.92Å; H183-L199 HydrophobicContact CB-CB 4.37Å; H183-L199 PolarHBondContact O-N 3.36Å; H183-S200 VanDerWaalsContact CG-CB 3.47Å
184L94.5Very high94.2Very high13 Ų1332.3 Ų32.37%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-104.3126.5-178.3-161.568.6000110.4F177 A178 D181 V196 W222F177-L184 WeakPolarHBondContact CD1-O 3.24Å; A178-L184 HydrophobicContact CB-CB 3.82Å; A178-L184 HydrophobicContact CB-CD2 4.08Å; A178-L184 HydrophobicContact CB-CG 4.31Å; A178-L184 PolarHBondContact N-O 2.95Å; D181-L184 HydrophobicContact CB-CB 3.94Å; D181-L184 PolarHBondContact O-N 3.31Å; L184-V196 HydrophobicContact CD1-CG1 3.57Å; L184-V196 HydrophobicContact CG-CG1 4.03Å; L184-W222 HydrophobicContact CD2-CH2 3.39Å; L184-W222 HydrophobicContact CD2-CZ2 4.3Å; L184-W222 HydrophobicContact CD2-CZ3 3.72Å; L184-W222 HydrophobicContact CG-CH2 3.74Å; L184-W222 HydrophobicContact CG-CZ2 4.28Å
185L96.5Very high94.2Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-131.9135.4-178.8178.967.1000108.8L175 F177 V196 M197 A466 V474 V476L175-L185 HydrophobicContact CD1-CD1 4.26Å; L175-L185 HydrophobicContact CD1-CD2 4.19Å; L175-L185 HydrophobicContact CD1-CG 4.43Å; L175-L185 HydrophobicContact CD2-CD1 3.77Å; L175-L185 HydrophobicContact CG-CD1 3.86Å; L175-L185 HydrophobicContact CG-CG 4.48Å; F177-L185 HydrophobicContact CB-CD1 4.43Å; F177-L185 HydrophobicContact CD1-CB 4.09Å; F177-L185 HydrophobicContact CD1-CD1 3.95Å; F177-L185 HydrophobicContact CD2-CD1 3.67Å; F177-L185 HydrophobicContact CE1-CB 4.04Å; F177-L185 HydrophobicContact CE1-CD1 4.08Å; F177-L185 HydrophobicContact CE1-CG 4.47Å; F177-L185 HydrophobicContact CE2-CD1 3.84Å; F177-L185 HydrophobicContact CG-CD1 3.75Å; F177-L185 HydrophobicContact CZ-CD1 4.03Å; F177-L185 HydrophobicContact CZ-CD2 4.43Å; L185-V196 CarbonylContact O-C 3.58Å; L185-M197 HydrophobicContact CB-CB 4.43Å; L185-M197 HydrophobicContact CB-CE 4.26Å; L185-M197 HydrophobicContact CD2-CE 3.82Å; L185-M197 HydrophobicContact CD2-SD 4.39Å; L185-M197 HydrophobicContact CG-CE 3.73Å; L185-M197 PolarHBondContact N-O 2.9Å; L185-M197 PolarHBondContact O-N 2.89Å; L185-A466 HydrophobicContact CD1-CB 3.99Å; L185-A466 HydrophobicContact CD2-CB 3.87Å; L185-V474 HydrophobicContact CD2-CG1 4.24Å; L185-V476 HydrophobicContact CD2-CG2 4.02Å
186A97.3Very high94.2Very high1 Ų130 Ų301%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-117.1151.1170.100000111L175 Q176 S195 V196 F220 W222 I229L175-A186 WeakPolarHBondContact CA-O 3.25Å; Q176-A186 PolarHBondContact N-O 3.11Å; Q176-A186 PolarHBondContact O-N 2.95Å; A186-S195 VanDerWaalsContact CA-O 3.3Å; A186-S195 WeakPolarHBondContact CA-O 3.33Å; A186-V196 HydrophobicContact CB-CG2 4.37Å; A186-F220 HydrophobicContact CB-CD2 4.43Å; A186-F220 HydrophobicContact CB-CE2 3.51Å; A186-F220 HydrophobicContact CB-CZ 3.61Å; A186-F220 WeakPolarHBondContact O-CZ 3.42Å; A186-W222 HydrophobicContact CB-CH2 4.29Å; A186-W222 HydrophobicContact CB-CZ2 3.34Å; A186-I229 HydrophobicContact CB-CD1 4.26Å
187C97.2Very high94.2Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-139.4146.4169.168.50000109.8Q166 V172 R174 L175 L194 S195 M197 V474Q166-C187 PolarHBondContact NE2-SG 3.13Å; Q166-C187 VanDerWaalsContact NE2-SG 3.41Å; V172-C187 HydrophobicContact CG1-CB 3.68Å; R174-C187 WeakPolarHBondContact O-CA 3.05Å; L175-C187 HydrophobicContact CB-CB 4.37Å; L175-C187 HydrophobicContact CD1-CB 4.16Å; L175-C187 HydrophobicContact CG-CB 4.46Å; C187-L194 CarbonylContact O-C 3.54Å; C187-L194 WeakPolarHBondContact O-CA 3.44Å; C187-S195 PolarHBondContact N-O 3.03Å; C187-S195 PolarHBondContact O-N 3.39Å; C187-M197 HydrophobicContact CB-CE 3.87Å; C187-M197 WeakPolarHBondContact SG-CE 3.43Å; C187-V474 HydrophobicContact CB-CG2 4.39Å
188C96.6Very high94.2Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-105.9154.8169.569.20000110.3V172 P173 R174 L194 V217 F220V172-C188 VanDerWaalsContact CA-O 3.28Å; V172-C188 WeakPolarHBondContact CA-O 3.41Å; V172-C188 VanDerWaalsContact CG1-O 3.3Å; V172-C188 WeakPolarHBondContact CG1-O 3.35Å; P173-C188 WeakPolarHBondContact CD-O 3.02Å; R174-C188 WeakPolarHBondContact CB-SG 3.47Å; R174-C188 PolarHBondContact O-N 2.54Å; C188-L194 HydrophobicContact CB-CD2 3.98Å; C188-L194 HydrophobicContact CB-CG 3.88Å; C188-V217 HydrophobicContact CB-CB 3.9Å; C188-V217 HydrophobicContact CB-CG1 3.53Å; C188-F220 HydrophobicContact CB-CD1 3.72Å; C188-F220 HydrophobicContact CB-CE1 4.26Å
189S96.8Very high94.1Very high0 Ų028.7 Ų28.70%015%0.151CC..  trans-130.6152.5-178.8173.20000110.8H167 S170 A171 D191 G192 T193 V217H167-S189 VanDerWaalsContact CG-CB 3.46Å; H167-S189 VanDerWaalsContact ND1-CB 3.3Å; H167-S189 WeakPolarHBondContact ND1-CB 3.47Å; H167-S189 PolarHBondContact ND1-OG 3.02Å; S170-S189 WeakPolarHBondContact CB-OG 3.25Å; S170-S189 PolarHBondContact OG-OG 3.18Å; A171-S189 WeakPolarHBondContact O-CA 3.43Å; S189-D191 VanDerWaalsContact CB-OD1 3.28Å; S189-D191 WeakPolarHBondContact CB-OD1 3.34Å; S189-D191 PolarHBondContact O-N 2.95Å; S189-D191 VanDerWaalsContact O-N 3.16Å; S189-D191 PolarHBondContact OG-N 3.48Å; S189-D191 PolarHBondContact OG-OD1 3.06Å; S189-D191 PolarHBondContact OG-OD2 2.87Å; S189-G192 PolarHBondContact O-N 3.44Å; S189-T193 PolarHBondContact N-O 3.11Å; S189-V217 PolarHBondContact O-N 3.35Å
190L96.2Very high94.2Very high73 Ų7328.4 Ų28.438%0.38215%0.154SC..THydrogen-bonded Turntrans-68.2-5172-60-170.8000113.4S170 A171 P173 G192 P216S170-L190 PolarHBondContact OG-N 3.28Å; A171-L190 HydrophobicContact CB-CD1 3.75Å; A171-L190 HydrophobicContact CB-CG 4.04Å; A171-L190 PolarHBondContact O-N 2.84Å; P173-L190 HydrophobicContact CG-CD2 3.87Å; P173-L190 HydrophobicContact CG-CG 4.48Å; L190-G192 PolarHBondContact O-N 2.88Å; L190-P216 HydrophobicContact CB-CB 4.04Å; L190-P216 HydrophobicContact CD2-CB 3.84Å; L190-P216 WeakPolarHBondContact O-CA 3.27Å; L190-P216 WeakPolarHBondContact O-CB 3.42Å; L190-P216 WeakPolarHBondContact O-CG 3.49Å
191D95.1Very high94.3Very high73 Ų7327.9 Ų27.939%0.3916%0.157SC..THydrogen-bonded Turntrans-75.8-2.1172.865.222.4000113.9H167 S170 S189 T193H167-D191 IonicContact CE1-OD2 3.65Å; H167-D191 IonicContact CG-OD2 2.88Å; H167-D191 IonicContact ND1-OD1 3.9Å; H167-D191 IonicContact ND1-OD2 3.24Å; H167-D191 PolarHBondContact ND1-OD2 2.93Å; S170-D191 PolarHBondContact OG-N 3.17Å; S189-D191 VanDerWaalsContact CB-OD1 3.28Å; S189-D191 WeakPolarHBondContact CB-OD1 3.34Å; S189-D191 PolarHBondContact O-N 2.95Å; S189-D191 VanDerWaalsContact O-N 3.16Å; S189-D191 PolarHBondContact OG-N 3.48Å; S189-D191 PolarHBondContact OG-OD1 3.06Å; S189-D191 PolarHBondContact OG-OD2 2.87Å; D191-T193 WeakPolarHBondContact OD1-CA 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.44Å; D191-T193 PolarHBondContact OD1-N 2.77Å; D191-T193 PolarHBondContact OD1-OG1 3.34Å; D191-T193 PolarHBondContact OD2-OG1 2.92Å
192G94.8Very high94.1Very high4 Ų429.9 Ų29.94%0.04117%0.174CC..SBendtrans87.910.8-179.900000114.5S189 L190 H213 G215S189-G192 PolarHBondContact O-N 3.44Å; L190-G192 PolarHBondContact O-N 2.88Å; G192-H213 WeakPolarHBondContact O-CB 3.28Å; G192-G215 WeakPolarHBondContact CA-O 3.42Å
193T96.3Very high94Very high22 Ų2230.3 Ų30.314%0.13519%0.185CC..EExtended strand (participates in β ladder)trans-120.1155.8178.671.50000112.3H167 S189 D191 T209 L210 K211H167-T193 PolarHBondContact CE1-OG1 2.67Å; S189-T193 PolarHBondContact N-O 3.11Å; D191-T193 WeakPolarHBondContact OD1-CA 3.29Å; D191-T193 WeakPolarHBondContact OD1-CB 3.44Å; D191-T193 PolarHBondContact OD1-N 2.77Å; D191-T193 PolarHBondContact OD1-OG1 3.34Å; D191-T193 PolarHBondContact OD2-OG1 2.92Å; T193-T209 HydrophobicContact CG2-CG2 4.49Å; T193-L210 WeakPolarHBondContact CA-O 3.24Å; T193-K211 HydrophobicContact CG2-CG 3.93Å
194L96.9Very high94.1Very high1 Ų128.1 Ų28.11%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-116.2140167.3-59.489.4000108.9C187 C188 T209 L210 V217 F220 I229C187-L194 CarbonylContact O-C 3.54Å; C187-L194 WeakPolarHBondContact O-CA 3.44Å; C188-L194 HydrophobicContact CB-CD2 3.98Å; C188-L194 HydrophobicContact CB-CG 3.88Å; L194-T209 CarbonylContact O-C 3.59Å; L194-T209 WeakPolarHBondContact O-CA 3.29Å; L194-L210 HydrophobicContact CB-CB 4.11Å; L194-L210 HydrophobicContact CB-CD1 4.09Å; L194-L210 HydrophobicContact CB-CG 4.32Å; L194-L210 HydrophobicContact CD1-CB 4.49Å; L194-L210 PolarHBondContact N-O 2.91Å; L194-L210 VanDerWaalsContact N-O 3.15Å; L194-L210 PolarHBondContact O-N 3.46Å; L194-V217 HydrophobicContact CD1-CB 4.41Å; L194-V217 HydrophobicContact CD1-CG1 3.88Å; L194-V217 HydrophobicContact CD1-CG2 3.81Å; L194-V217 HydrophobicContact CD2-CG1 4.19Å; L194-V217 HydrophobicContact CG-CG1 4Å; L194-V217 HydrophobicContact CG-CG2 4.42Å; L194-F220 HydrophobicContact CD2-CB 3.65Å; L194-F220 HydrophobicContact CD2-CD1 4.19Å; L194-F220 HydrophobicContact CD2-CG 3.87Å; L194-I229 HydrophobicContact CD2-CG2 4.26Å
195S96.8Very high94Very high1 Ų130.6 Ų30.61%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-113.9128.6176.2-64.60000110.1Q166 H167 A186 C187 L208Q166-S195 VanDerWaalsContact NE2-CB 3.3Å; Q166-S195 PolarHBondContact NE2-OG 3.04Å; H167-S195 PolarHBondContact CE1-OG 2.96Å; H167-S195 PolarHBondContact NE2-OG 3.12Å; A186-S195 VanDerWaalsContact CA-O 3.3Å; A186-S195 WeakPolarHBondContact CA-O 3.33Å; C187-S195 PolarHBondContact N-O 3.03Å; C187-S195 PolarHBondContact O-N 3.39Å; S195-L208 WeakPolarHBondContact CA-O 3.44Å
196V96.8Very high93.9Very high1 Ų133.1 Ų33.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-102.8122.1169.5-176.20000107.8L184 L185 A186 R207 L208 L210 W222 I229L184-V196 HydrophobicContact CD1-CG1 3.57Å; L184-V196 HydrophobicContact CG-CG1 4.03Å; L185-V196 CarbonylContact O-C 3.58Å; A186-V196 HydrophobicContact CB-CG2 4.37Å; V196-R207 WeakPolarHBondContact O-CA 3.33Å; V196-R207 PolarHBondContact O-N 2.94Å; V196-L208 HydrophobicContact CB-CB 4.26Å; V196-L208 PolarHBondContact N-O 3.12Å; V196-L208 PolarHBondContact O-N 2.97Å; V196-L208 VanDerWaalsContact O-N 3.08Å; V196-L210 HydrophobicContact CG2-CD1 4.38Å; V196-W222 HydrophobicContact CG1-CH2 4.04Å; V196-I229 HydrophobicContact CG2-CD1 3.79Å
197M95.9Very high93.8Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-113.1136.8-173.5-63.9158.1-74.700109.7F164 L185 C187 S205 V206F164-M197 HydrophobicContact CB-SD 3.96Å; F164-M197 HydrophobicContact CD1-CG 4.12Å; F164-M197 HydrophobicContact CD1-SD 3.96Å; F164-M197 HydrophobicContact CD2-CG 4.33Å; F164-M197 HydrophobicContact CD2-SD 3.39Å; F164-M197 WeakPolarHBondContact CD2-SD 3.25Å; F164-M197 HydrophobicContact CE1-CB 4.12Å; F164-M197 HydrophobicContact CE1-CG 3.98Å; F164-M197 HydrophobicContact CE1-SD 4.25Å; F164-M197 HydrophobicContact CE2-CB 4.06Å; F164-M197 HydrophobicContact CE2-CG 4.2Å; F164-M197 HydrophobicContact CE2-SD 3.72Å; F164-M197 HydrophobicContact CG-CG 4.29Å; F164-M197 HydrophobicContact CG-SD 3.53Å; F164-M197 VanDerWaalsContact CG-SD 3.53Å; F164-M197 HydrophobicContact CZ-CB 3.76Å; F164-M197 HydrophobicContact CZ-CG 4.02Å; F164-M197 HydrophobicContact CZ-SD 4.13Å; L185-M197 HydrophobicContact CB-CB 4.43Å; L185-M197 HydrophobicContact CB-CE 4.26Å; L185-M197 HydrophobicContact CD2-CE 3.82Å; L185-M197 HydrophobicContact CD2-SD 4.39Å; L185-M197 HydrophobicContact CG-CE 3.73Å; L185-M197 PolarHBondContact N-O 2.9Å; L185-M197 PolarHBondContact O-N 2.89Å; C187-M197 HydrophobicContact CB-CE 3.87Å; C187-M197 WeakPolarHBondContact SG-CE 3.43Å; M197-S205 WeakPolarHBondContact CA-O 3.18Å; M197-V206 HydrophobicContact CG-CG2 4.17Å
198A94.4Very high93.7Very high19 Ų1941.1 Ų41.116%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-106.7130.3172.300000109.3H183 P204 S205 R207H183-A198 CarbonylContact O-C 3.39Å; H183-A198 WeakPolarHBondContact O-CA 2.92Å; A198-P204 VanDerWaalsContact O-CA 3.3Å; A198-P204 WeakPolarHBondContact O-CA 3.38Å; A198-S205 PolarHBondContact N-O 3.19Å; A198-S205 PolarHBondContact O-N 3.43Å; A198-R207 HydrophobicContact CB-CB 4.32Å
199L92.9Very high93.6Very high7 Ų744.2 Ų44.24%0.03726%0.262CS..  trans-92.3-13177.7-56.5-176.7000112.8F164 F177 H183 P204 L464 V476F164-L199 HydrophobicContact CE2-CD2 3.73Å; F164-L199 HydrophobicContact CZ-CD2 3.79Å; F177-L199 HydrophobicContact CE1-CD1 3.73Å; F177-L199 HydrophobicContact CZ-CD1 4.17Å; H183-L199 HydrophobicContact CB-CB 4.37Å; H183-L199 PolarHBondContact O-N 3.36Å; L199-P204 HydrophobicContact CD2-CB 3.97Å; L199-P204 HydrophobicContact CD2-CG 4.45Å; L199-L464 HydrophobicContact CD1-CD1 3.39Å; L199-V476 HydrophobicContact CD1-CG1 4.09Å; L199-V476 HydrophobicContact CD2-CG2 4.18Å
200S90Very high93.6Very high55 Ų5544.3 Ų44.339%0.38526%0.262SS..  trans-136.2142178.1-171.20000109.8H183H183-S200 VanDerWaalsContact CG-CB 3.47Å
201P87.9Confident93.5Very high105 Ų10548.2 Ų48.268%0.68228%0.276SS*.SBendcis-68.6157.2-6.530.5-35.2000112.1P203P201-P203 CarbonylContact O-C 3.57Å
202P84.3Confident93.4Very high106 Ų10646.4 Ų46.469%0.68827%0.274SS*.SBendtrans-67.8143.4173.528.4-33.3000110.6
203P86.1Confident93.5Very high92 Ų9247.1 Ų47.160%0.59728%0.276SS*.SBendcis-77.3143.63.631.4-34.3000113P201 S205P201-P203 CarbonylContact O-C 3.57Å; P203-S205 PolarHBondContact O-N 2.89Å
204P92.5Very high93.4Very high17 Ų1749.7 Ų49.711%0.1131%0.307CS..PPolyproline II helixtrans-52.2137169.8-26.435.1000111.3H162 F164 A198 L199H162-P204 HydrophobicContact CB-CB 4.21Å; H162-P204 HydrophobicContact CB-CG 4.06Å; H162-P204 PolarHBondContact CE1-O 2.87Å; F164-P204 HydrophobicContact CE1-CB 4.31Å; F164-P204 HydrophobicContact CZ-CB 3.81Å; A198-P204 VanDerWaalsContact O-CA 3.3Å; A198-P204 WeakPolarHBondContact O-CA 3.38Å; L199-P204 HydrophobicContact CD2-CB 3.97Å; L199-P204 HydrophobicContact CD2-CG 4.45Å
205S93.1Very high93.3Very high66 Ų6650.4 Ų50.446%0.46232%0.315SS..EExtended strand (participates in β ladder)trans-148.9159.6-175.560.50000112M197 A198 P203 R207M197-S205 WeakPolarHBondContact CA-O 3.18Å; A198-S205 PolarHBondContact N-O 3.19Å; A198-S205 PolarHBondContact O-N 3.43Å; P203-S205 PolarHBondContact O-N 2.89Å; S205-R207 PolarHBondContact O-N 3.15Å
206V94.6Very high93.3Very high53 Ų5352.4 Ų52.432%0.32133%0.328SS..EExtended strand (participates in β ladder)trans-74.2115.7171.5-178.80000107.6F164 Q166 M197F164-V206 HydrophobicContact CD1-CG2 4.29Å; Q166-V206 HydrophobicContact CB-CG2 4.39Å; Q166-V206 HydrophobicContact CG-CG2 4.27Å; M197-V206 HydrophobicContact CG-CG2 4.17Å
207R93.9Very high93.4Very high135 Ų13552.3 Ų52.351%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-80.5-45.1-179.7-174.9-174.9161.3170.1-5.9110.9V196 A198 S205V196-R207 WeakPolarHBondContact O-CA 3.33Å; V196-R207 PolarHBondContact O-N 2.94Å; A198-R207 HydrophobicContact CB-CB 4.32Å; S205-R207 PolarHBondContact O-N 3.15Å
208L94.9Very high93.4Very high34 Ų3453.4 Ų53.418%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-140146.7-178.6-62.8169.6000110.9S195 V196 L210 T243S195-L208 WeakPolarHBondContact CA-O 3.44Å; V196-L208 HydrophobicContact CB-CB 4.26Å; V196-L208 PolarHBondContact N-O 3.12Å; V196-L208 PolarHBondContact O-N 2.97Å; V196-L208 VanDerWaalsContact O-N 3.08Å; L208-L210 HydrophobicContact CB-CD2 4.38Å; L208-T243 WeakPolarHBondContact CD1-O 3.19Å
209T95.7Very high93.6Very high65 Ų6553.1 Ų53.140%0.39933%0.33SS..EExtended strand (participates in β ladder)trans-121.2108.5167.1-53.10000108.2T193 L194 K211T193-T209 HydrophobicContact CG2-CG2 4.49Å; L194-T209 CarbonylContact O-C 3.59Å; L194-T209 WeakPolarHBondContact O-CA 3.29Å; T209-K211 HydrophobicContact CG2-CG 4.06Å; T209-K211 PolarHBondContact O-N 3.26Å
210L96.4Very high93.8Very high1 Ų152.8 Ų52.81%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-79.5108.1-179.6-48.9-178.5000108.4T193 L194 V196 L208 I229 W241 G246T193-L210 WeakPolarHBondContact CA-O 3.24Å; L194-L210 HydrophobicContact CB-CB 4.11Å; L194-L210 HydrophobicContact CB-CD1 4.09Å; L194-L210 HydrophobicContact CB-CG 4.32Å; L194-L210 HydrophobicContact CD1-CB 4.49Å; L194-L210 PolarHBondContact N-O 2.91Å; L194-L210 VanDerWaalsContact N-O 3.15Å; L194-L210 PolarHBondContact O-N 3.46Å; V196-L210 HydrophobicContact CG2-CD1 4.38Å; L208-L210 HydrophobicContact CB-CD2 4.38Å; L210-I229 HydrophobicContact CD1-CD1 4.39Å; L210-W241 HydrophobicContact CB-CD2 4.06Å; L210-W241 HydrophobicContact CB-CE3 3.9Å; L210-W241 HydrophobicContact CB-CH2 4.32Å; L210-W241 HydrophobicContact CB-CZ2 4.45Å; L210-W241 HydrophobicContact CB-CZ3 4.05Å; L210-W241 HydrophobicContact CD1-CB 3.85Å; L210-W241 HydrophobicContact CD1-CD2 4.01Å; L210-W241 HydrophobicContact CD1-CE3 4.44Å; L210-W241 HydrophobicContact CD1-CG 3.74Å; L210-W241 HydrophobicContact CD2-CE3 4.26Å; L210-W241 HydrophobicContact CG-CD2 4.45Å; L210-W241 HydrophobicContact CG-CE3 4.43Å; L210-G246 WeakPolarHBondContact CD2-O 2.99Å
211K94.9Very high94.1Very high156 Ų15650.6 Ų50.668%0.67831%0.313SS*.EExtended strand (participates in β ladder)trans-111.9132.6179.6-60-173179.6-177.20109.5T193 T209T193-K211 HydrophobicContact CG2-CG 3.93Å; T209-K211 HydrophobicContact CG2-CG 4.06Å; T209-K211 PolarHBondContact O-N 3.26Å
212G92.2Very high94.4Very high35 Ų3545.9 Ų45.936%0.36128%0.282SS..  trans163.6-24.3174.900000114.2G214 R239G212-G214 PolarHBondContact O-N 3.28Å; G212-R239 PolarHBondContact O-NE 2.98Å; G212-R239 PolarHBondContact O-NH2 3.06Å
213H96.1Very high94.9Very high18 Ų1840.8 Ų40.88%0.08325%0.249CC..  trans-62138.3169.9-80.1-65.5000110.7G192 G215 V217 S231 S233 D235 T237G192-H213 WeakPolarHBondContact O-CB 3.28Å; H213-G215 VanDerWaalsContact C-N 3.3Å; H213-V217 HydrophobicContact CB-CG2 4.13Å; H213-S231 PolarHBondContact NE2-OG 2.93Å; H213-S233 WeakPolarHBondContact ND1-CB 3.36Å; H213-D235 VanDerWaalsContact CA-OD2 3.32Å; H213-D235 WeakPolarHBondContact CA-OD2 3.28Å; H213-D235 IonicContact CG-OD2 3.79Å; H213-D235 IonicContact ND1-OD1 3.61Å; H213-D235 IonicContact ND1-OD2 2.73Å; H213-D235 PolarHBondContact ND1-OD2 2.84Å; H213-T237 PolarHBondContact CE1-O 2.91Å; H213-T237 PolarHBondContact CE1-OG1 2.96Å; H213-T237 PolarHBondContact ND1-OG1 2.95Å; H213-T237 VanDerWaalsContact ND1-OG1 3.16Å
214G94.9Very high94.9Very high76 Ų7640.9 Ų40.978%0.78424%0.244SC*.SBendtrans-85.3-5.217900000113.3G212 D235G212-G214 PolarHBondContact O-N 3.28Å; G214-D235 PolarHBondContact N-OD2 3.47Å
215G95.5Very high94.7Very high17 Ų1743.1 Ų43.118%0.17526%0.26CS..SBendtrans-154.1-176.4-178.900000112.2G192 H213 V217 S233G192-G215 WeakPolarHBondContact CA-O 3.42Å; H213-G215 VanDerWaalsContact C-N 3.3Å; G215-V217 PolarHBondContact O-N 2.89Å; G215-S233 PolarHBondContact O-OG 3.4Å; G215-S233 VanDerWaalsContact O-OG 3.06Å
216P97Very high94.7Very high42 Ų4240.7 Ų40.727%0.27324%0.242SC..  trans-54.9134.6-175.8-28.135.5000113.3L190 S233 L234L190-P216 HydrophobicContact CB-CB 4.04Å; L190-P216 HydrophobicContact CD2-CB 3.84Å; L190-P216 WeakPolarHBondContact O-CA 3.27Å; L190-P216 WeakPolarHBondContact O-CB 3.42Å; L190-P216 WeakPolarHBondContact O-CG 3.49Å; P216-S233 VanDerWaalsContact O-CA 3.25Å; P216-S233 WeakPolarHBondContact O-CA 3.46Å; P216-S233 VanDerWaalsContact O-CB 3.32Å; P216-S233 WeakPolarHBondContact O-CB 3.4Å; P216-S233 PolarHBondContact O-OG 3.45Å; P216-L234 HydrophobicContact CB-CD1 3.89Å; P216-L234 HydrophobicContact CB-CG 4.21Å; P216-L234 HydrophobicContact CG-CD1 3.97Å; P216-L234 PolarHBondContact O-N 3.11Å
217V97.8Very high94.6Very high0 Ų041.3 Ų41.30%024%0.244CC..EExtended strand (participates in β ladder)trans-87.4121.2175.2-172.30000108.2P173 C188 S189 L194 H213 G215 T232P173-V217 WeakPolarHBondContact CG-O 3.4Å; C188-V217 HydrophobicContact CB-CB 3.9Å; C188-V217 HydrophobicContact CB-CG1 3.53Å; S189-V217 PolarHBondContact O-N 3.35Å; L194-V217 HydrophobicContact CD1-CB 4.41Å; L194-V217 HydrophobicContact CD1-CG1 3.88Å; L194-V217 HydrophobicContact CD1-CG2 3.81Å; L194-V217 HydrophobicContact CD2-CG1 4.19Å; L194-V217 HydrophobicContact CG-CG1 4Å; L194-V217 HydrophobicContact CG-CG2 4.42Å; H213-V217 HydrophobicContact CB-CG2 4.13Å; G215-V217 PolarHBondContact O-N 2.89Å; V217-T232 WeakPolarHBondContact CA-O 3.46Å; V217-T232 VanDerWaalsContact CG1-O 3.23Å; V217-T232 WeakPolarHBondContact CG1-O 3.4Å
218T96.8Very high94.6Very high23 Ų2336.5 Ų36.514%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-91.5-38.9-172.555.50000112.6T232 L234 L260 L261T218-T232 PolarHBondContact N-O 2.98Å; T218-T232 PolarHBondContact OG1-O 3.21Å; T218-T232 PolarHBondContact OG1-OG1 2.9Å; T218-L234 HydrophobicContact CG2-CD2 3.4Å; T218-L234 HydrophobicContact CG2-CG 3.62Å; T218-L260 PolarHBondContact OG1-O 2.78Å; T218-L261 VanDerWaalsContact CB-O 3.29Å; T218-L261 WeakPolarHBondContact CB-O 3.2Å; T218-L261 HydrophobicContact CG2-CD2 4.41Å; T218-L261 WeakPolarHBondContact OG1-CA 3.4Å; T218-L261 PolarHBondContact OG1-O 2.86Å
219D97.1Very high94.7Very high12 Ų1234.9 Ų34.96%0.06422%0.219CC..EExtended strand (participates in β ladder)trans-157.7159.1-174.9-167.415.1000110.1R174 T232 C262 C263R174-D219 WeakPolarHBondContact CD-OD1 3.45Å; R174-D219 WeakPolarHBondContact CG-OD1 3.34Å; R174-D219 IonicContact NE-OD1 3.74Å; R174-D219 PolarHBondContact NE-OD1 3.11Å; D219-T232 PolarHBondContact O-N 3.26Å; D219-T232 PolarHBondContact O-OG1 2.72Å; D219-C262 VanDerWaalsContact OD2-CA 3.28Å; D219-C262 WeakPolarHBondContact OD2-CA 3.45Å; D219-C262 WeakPolarHBondContact OD2-CB 3.37Å; D219-C263 PolarHBondContact OD2-N 2.91Å
220F97.5Very high94.8Very high1 Ų131.8 Ų31.80%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-151.7161.7173.576.7-84.3000110.2R174 Q176 A186 C188 L194 W222 I229 V230R174-F220 HydrophobicContact CB-CD1 3.92Å; R174-F220 HydrophobicContact CB-CE1 3.87Å; R174-F220 HydrophobicContact CG-CD1 4.02Å; R174-F220 HydrophobicContact CG-CE1 3.92Å; Q176-F220 HydrophobicContact CB-CE2 4Å; Q176-F220 HydrophobicContact CB-CZ 3.78Å; A186-F220 HydrophobicContact CB-CD2 4.43Å; A186-F220 HydrophobicContact CB-CE2 3.51Å; A186-F220 HydrophobicContact CB-CZ 3.61Å; A186-F220 WeakPolarHBondContact O-CZ 3.42Å; C188-F220 HydrophobicContact CB-CD1 3.72Å; C188-F220 HydrophobicContact CB-CE1 4.26Å; L194-F220 HydrophobicContact CD2-CB 3.65Å; L194-F220 HydrophobicContact CD2-CD1 4.19Å; L194-F220 HydrophobicContact CD2-CG 3.87Å; F220-W222 AromaticContact CE2-CD1 3.96Å; F220-W222 AromaticContact CE2-NE1 3.71Å; F220-I229 HydrophobicContact CB-CG2 4.18Å; F220-I229 HydrophobicContact CD2-CG2 3.97Å; F220-I229 HydrophobicContact CG-CG2 4.46Å; F220-V230 CarbonylContact C-O 3.53Å; F220-V230 WeakPolarHBondContact CA-O 3.3Å; F220-V230 VanDerWaalsContact CB-O 3.31Å; F220-V230 WeakPolarHBondContact CB-O 3.5Å
221A96.1Very high94.9Very high8 Ų831.7 Ų31.77%0.06620%0.2CC..EExtended strand (participates in β ladder)trans-139.1146.4174.600000110.8V230 F265A221-V230 PolarHBondContact N-O 2.94Å; A221-V230 PolarHBondContact O-N 2.87Å; A221-F265 HydrophobicContact CB-CD2 3.69Å; A221-F265 HydrophobicContact CB-CE2 4.21Å; A221-F265 WeakPolarHBondContact O-CE2 3.25Å
222W95.5Very high95Very high6 Ų624.3 Ų24.32%0.02317%0.167CC..EExtended strand (participates in β ladder)trans-80.9143169.8-70.397.3000111.1Q176 A178 L184 A186 V196 F220 N226 I229 T243 F265Q176-W222 PolarHBondContact O-NE1 3.16Å; Q176-W222 VanDerWaalsContact O-NE1 3.09Å; A178-W222 HydrophobicContact CB-CD2 4.39Å; A178-W222 HydrophobicContact CB-CE3 4.5Å; A178-W222 HydrophobicContact CB-CH2 4.46Å; A178-W222 HydrophobicContact CB-CZ2 4.33Å; L184-W222 HydrophobicContact CD2-CH2 3.39Å; L184-W222 HydrophobicContact CD2-CZ2 4.3Å; L184-W222 HydrophobicContact CD2-CZ3 3.72Å; L184-W222 HydrophobicContact CG-CH2 3.74Å; L184-W222 HydrophobicContact CG-CZ2 4.28Å; A186-W222 HydrophobicContact CB-CH2 4.29Å; A186-W222 HydrophobicContact CB-CZ2 3.34Å; V196-W222 HydrophobicContact CG1-CH2 4.04Å; F220-W222 AromaticContact CE2-CD1 3.96Å; F220-W222 AromaticContact CE2-NE1 3.71Å; W222-N226 HydrophobicContact CE3-CB 4.05Å; W222-N226 HydrophobicContact CZ3-CB 4.31Å; W222-I229 HydrophobicContact CD2-CD1 4.29Å; W222-I229 HydrophobicContact CD2-CG1 3.94Å; W222-I229 HydrophobicContact CE3-CD1 4.03Å; W222-I229 HydrophobicContact CE3-CG1 3.65Å; W222-I229 HydrophobicContact CH2-CD1 3.72Å; W222-I229 HydrophobicContact CH2-CG1 4.29Å; W222-I229 HydrophobicContact CZ2-CD1 4Å; W222-I229 HydrophobicContact CZ3-CD1 3.75Å; W222-I229 HydrophobicContact CZ3-CG1 3.85Å; W222-T243 HydrophobicContact CE3-CG2 4.12Å; W222-T243 HydrophobicContact CH2-CG2 4.45Å; W222-T243 HydrophobicContact CZ3-CG2 3.57Å; W222-F265 VanDerWaalsContact C-CE2 3.47Å; W222-F265 WeakPolarHBondContact O-CD2 3.43Å
223S93.3Very high95.3Very high0 Ų022.6 Ų22.60%015%0.15CC..  trans-61.8157.4161.363.30000110.6N179 S225 N226 D227 I228 N270N179-S223 PolarHBondContact ND2-O 3.16Å; N179-S223 VanDerWaalsContact ND2-O 3.09Å; S223-S225 PolarHBondContact O-N 3.44Å; S223-N226 PolarHBondContact O-N 3.11Å; S223-N226 VanDerWaalsContact O-N 3.08Å; S223-N226 PolarHBondContact O-OD1 3.11Å; S223-N226 WeakPolarHBondContact OG-CA 3.44Å; S223-N226 PolarHBondContact OG-N 3.06Å; S223-D227 WeakPolarHBondContact CB-OD1 3.5Å; S223-D227 PolarHBondContact OG-N 3.4Å; S223-D227 VanDerWaalsContact OG-N 3.16Å; S223-D227 PolarHBondContact OG-OD1 2.85Å; S223-I228 WeakPolarHBondContact CB-O 3.36Å; S223-I228 PolarHBondContact N-O 3.24Å; S223-I228 PolarHBondContact OG-N 3.34Å; S223-I228 PolarHBondContact OG-O 3.18Å; S223-I228 VanDerWaalsContact OG-O 3.11Å; S223-N270 WeakPolarHBondContact CA-OD1 3.4Å; S223-N270 WeakPolarHBondContact CB-OD1 3.35Å
224L87.4Confident95.3Very high93 Ų9324.6 Ų24.649%0.48716%0.161SC..THydrogen-bonded Turntrans-58.9-39.2178-170.167.4000111.2N270L224-N270 PolarHBondContact N-OD1 2.98Å
225S88.8Confident95.4Very high64 Ų6422.9 Ų22.945%0.44813%0.134SC..THydrogen-bonded Turntrans-80.8-3.8177.6360000115.3S223 D227 N270S223-S225 PolarHBondContact O-N 3.44Å; S225-D227 WeakPolarHBondContact CB-OD1 3.22Å; S225-D227 PolarHBondContact O-N 3.26Å; S225-D227 VanDerWaalsContact O-N 3.1Å; S225-D227 VanDerWaalsContact OG-CG 3.28Å; S225-D227 PolarHBondContact OG-OD1 3.32Å; S225-N270 PolarHBondContact OG-ND2 2.96Å; S225-N270 VanDerWaalsContact OG-ND2 3.15Å
226N91.7Very high95.4Very high15 Ų1522.2 Ų22.28%0.0813%0.127CC..SBendtrans59.313.4-177.9-48.1-65.5000116.2A178 N179 D180 W222 S223 T243A178-N226 HydrophobicContact CB-CB 4.2Å; N179-N226 PolarHBondContact N-OD1 2.9Å; D180-N226 WeakPolarHBondContact CB-ND2 3.29Å; D180-N226 PolarHBondContact N-ND2 2.63Å; D180-N226 PolarHBondContact OD2-ND2 3.45Å; W222-N226 HydrophobicContact CE3-CB 4.05Å; W222-N226 HydrophobicContact CZ3-CB 4.31Å; S223-N226 PolarHBondContact O-N 3.11Å; S223-N226 VanDerWaalsContact O-N 3.08Å; S223-N226 PolarHBondContact O-OD1 3.11Å; S223-N226 WeakPolarHBondContact OG-CA 3.44Å; S223-N226 PolarHBondContact OG-N 3.06Å; N226-T243 WeakPolarHBondContact O-CB 3.44Å; N226-T243 WeakPolarHBondContact O-CG2 3.37Å; N226-T243 PolarHBondContact O-OG1 2.99Å
227D92.8Very high95.4Very high67 Ų6720.5 Ų20.536%0.35812%0.116SC..SBendtrans-80.9-22.1175.861.1-32.3000113.4S223 S225 T243S223-D227 WeakPolarHBondContact CB-OD1 3.5Å; S223-D227 PolarHBondContact OG-N 3.4Å; S223-D227 VanDerWaalsContact OG-N 3.16Å; S223-D227 PolarHBondContact OG-OD1 2.85Å; S225-D227 WeakPolarHBondContact CB-OD1 3.22Å; S225-D227 PolarHBondContact O-N 3.26Å; S225-D227 VanDerWaalsContact O-N 3.1Å; S225-D227 VanDerWaalsContact OG-CG 3.28Å; S225-D227 PolarHBondContact OG-OD1 3.32Å; D227-T243 VanDerWaalsContact C-OG1 3.22Å; D227-T243 VanDerWaalsContact CA-OG1 3.31Å; D227-T243 WeakPolarHBondContact CA-OG1 3.44Å; D227-T243 PolarHBondContact O-N 3.26Å; D227-T243 PolarHBondContact O-OG1 2.89Å; D227-T243 VanDerWaalsContact O-OG1 3.08Å
228I94.9Very high95.3Very high33 Ų3320.7 Ų20.717%0.16912%0.117CC..EExtended strand (participates in β ladder)trans-133.5140.2-174.8-63.2173.7000109.8S223 I240 W241 I249 F265S223-I228 WeakPolarHBondContact CB-O 3.36Å; S223-I228 PolarHBondContact N-O 3.24Å; S223-I228 PolarHBondContact OG-N 3.34Å; S223-I228 PolarHBondContact OG-O 3.18Å; S223-I228 VanDerWaalsContact OG-O 3.11Å; I228-I240 HydrophobicContact CG2-CG2 3.47Å; I228-I240 VanDerWaalsContact CG2-CG2 3.47Å; I228-W241 VanDerWaalsContact CA-O 3.26Å; I228-W241 WeakPolarHBondContact CA-O 3.29Å; I228-I249 HydrophobicContact CD1-CD1 4.48Å; I228-I249 HydrophobicContact CG1-CD1 4.31Å; I228-F265 HydrophobicContact CG2-CZ 4.42Å
229I96.9Very high95.3Very high0 Ų021.2 Ų21.20%012%0.116CC..EExtended strand (participates in β ladder)trans-112.1136.4164.6-72.2164.5000108.7A186 L194 V196 L210 F220 W222 I240 W241 T243A186-I229 HydrophobicContact CB-CD1 4.26Å; L194-I229 HydrophobicContact CD2-CG2 4.26Å; V196-I229 HydrophobicContact CG2-CD1 3.79Å; L210-I229 HydrophobicContact CD1-CD1 4.39Å; F220-I229 HydrophobicContact CB-CG2 4.18Å; F220-I229 HydrophobicContact CD2-CG2 3.97Å; F220-I229 HydrophobicContact CG-CG2 4.46Å; W222-I229 HydrophobicContact CD2-CD1 4.29Å; W222-I229 HydrophobicContact CD2-CG1 3.94Å; W222-I229 HydrophobicContact CE3-CD1 4.03Å; W222-I229 HydrophobicContact CE3-CG1 3.65Å; W222-I229 HydrophobicContact CH2-CD1 3.72Å; W222-I229 HydrophobicContact CH2-CG1 4.29Å; W222-I229 HydrophobicContact CZ2-CD1 4Å; W222-I229 HydrophobicContact CZ3-CD1 3.75Å; W222-I229 HydrophobicContact CZ3-CG1 3.85Å; I229-I240 WeakPolarHBondContact O-CA 3.32Å; I229-W241 HydrophobicContact CB-CB 4.44Å; I229-W241 PolarHBondContact N-O 3.16Å; I229-W241 PolarHBondContact O-N 3.24Å; I229-T243 HydrophobicContact CB-CG2 4.37Å; I229-T243 HydrophobicContact CD1-CG2 3.82Å; I229-T243 HydrophobicContact CG1-CG2 3.65Å
230V97.3Very high95.3Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-106.1128.4167.1171.40000107.9F220 A221 L238 R239 I240 F265 T273 I287F220-V230 CarbonylContact C-O 3.53Å; F220-V230 WeakPolarHBondContact CA-O 3.3Å; F220-V230 VanDerWaalsContact CB-O 3.31Å; F220-V230 WeakPolarHBondContact CB-O 3.5Å; A221-V230 PolarHBondContact N-O 2.94Å; A221-V230 PolarHBondContact O-N 2.87Å; V230-L238 HydrophobicContact CG1-CD1 3.28Å; V230-L238 HydrophobicContact CG1-CD2 4.17Å; V230-L238 HydrophobicContact CG1-CG 3.82Å; V230-R239 WeakPolarHBondContact CA-O 3.41Å; V230-I240 HydrophobicContact CG2-CG1 4.16Å; V230-F265 HydrophobicContact CB-CE2 3.76Å; V230-F265 HydrophobicContact CB-CZ 4.09Å; V230-F265 HydrophobicContact CG2-CE1 4.26Å; V230-F265 HydrophobicContact CG2-CE2 3.57Å; V230-F265 HydrophobicContact CG2-CZ 3.35Å; V230-T273 HydrophobicContact CG1-CG2 4.46Å; V230-I287 HydrophobicContact CG2-CD1 4.23Å
231S97.8Very high95.3Very high0 Ų020.9 Ų20.90%011%0.114CC..EExtended strand (participates in β ladder)trans-124.5147.9177.663.50000111.9H213 L238 R239 W241H213-S231 PolarHBondContact NE2-OG 2.93Å; S231-L238 CarbonylContact O-C 3.58Å; S231-L238 WeakPolarHBondContact O-CA 3.45Å; S231-R239 PolarHBondContact N-O 3.17Å; S231-R239 PolarHBondContact O-N 3.44Å; S231-W241 PolarHBondContact OG-NE1 2.9Å
232T97.4Very high95.3Very high0 Ų022.5 Ų22.50%012%0.122CC..EExtended strand (participates in β ladder)trans-118.3146.9176.748.30000110.8V217 T218 D219 L238 L260 C263 V275V217-T232 WeakPolarHBondContact CA-O 3.46Å; V217-T232 VanDerWaalsContact CG1-O 3.23Å; V217-T232 WeakPolarHBondContact CG1-O 3.4Å; T218-T232 PolarHBondContact N-O 2.98Å; T218-T232 PolarHBondContact OG1-O 3.21Å; T218-T232 PolarHBondContact OG1-OG1 2.9Å; D219-T232 PolarHBondContact O-N 3.26Å; D219-T232 PolarHBondContact O-OG1 2.72Å; T232-L238 HydrophobicContact CG2-CD1 3.42Å; T232-L238 VanDerWaalsContact CG2-CD1 3.42Å; T232-L260 HydrophobicContact CG2-CB 3.84Å; T232-L260 HydrophobicContact CG2-CD1 4.14Å; T232-C263 HydrophobicContact CG2-CB 3.57Å; T232-V275 HydrophobicContact CG2-CG1 3.94Å
233S97.8Very high95.2Very high0 Ų022.8 Ų22.80%012%0.124CC..EExtended strand (participates in β ladder)trans-142.4157.9-176.7173.20000112.2H213 G215 P216 D235 G236 T237 L260H213-S233 WeakPolarHBondContact ND1-CB 3.36Å; G215-S233 PolarHBondContact O-OG 3.4Å; G215-S233 VanDerWaalsContact O-OG 3.06Å; P216-S233 VanDerWaalsContact O-CA 3.25Å; P216-S233 WeakPolarHBondContact O-CA 3.46Å; P216-S233 VanDerWaalsContact O-CB 3.32Å; P216-S233 WeakPolarHBondContact O-CB 3.4Å; P216-S233 PolarHBondContact O-OG 3.45Å; S233-D235 VanDerWaalsContact CB-OD1 3.26Å; S233-D235 WeakPolarHBondContact CB-OD1 3.49Å; S233-D235 PolarHBondContact O-N 3.5Å; S233-D235 VanDerWaalsContact OG-CG 3.28Å; S233-D235 PolarHBondContact OG-N 2.85Å; S233-D235 VanDerWaalsContact OG-N 3.11Å; S233-D235 PolarHBondContact OG-OD1 2.98Å; S233-G236 PolarHBondContact O-N 3.21Å; S233-G236 VanDerWaalsContact O-N 3.13Å; S233-T237 PolarHBondContact N-O 2.89Å; S233-L260 CarbonylContact C-O 3.54Å; S233-L260 PolarHBondContact O-N 2.93Å
234L97.1Very high95.1Very high59 Ų5928.9 Ų28.931%0.30915%0.153SC..THydrogen-bonded Turntrans-64-12.6168.7-57.3-175.1000112.9P216 T218 G236 E259 L261P216-L234 HydrophobicContact CB-CD1 3.89Å; P216-L234 HydrophobicContact CB-CG 4.21Å; P216-L234 HydrophobicContact CG-CD1 3.97Å; P216-L234 PolarHBondContact O-N 3.11Å; T218-L234 HydrophobicContact CG2-CD2 3.4Å; T218-L234 HydrophobicContact CG2-CG 3.62Å; L234-G236 PolarHBondContact O-N 3.22Å; L234-E259 HydrophobicContact CB-CG 4.36Å; L234-E259 HydrophobicContact CD2-CB 3.89Å; L234-E259 HydrophobicContact CD2-CG 4.28Å; L234-E259 WeakPolarHBondContact O-CG 3.34Å; L234-L261 HydrophobicContact CD2-CD2 3.64Å
235D96.3Very high95.3Very high41 Ų4129 Ų2922%0.21915%0.154CC..THydrogen-bonded Turntrans-69.7-3170.370.810.5000113.8H213 G214 S233 T237H213-D235 VanDerWaalsContact CA-OD2 3.32Å; H213-D235 WeakPolarHBondContact CA-OD2 3.28Å; H213-D235 IonicContact CG-OD2 3.79Å; H213-D235 IonicContact ND1-OD1 3.61Å; H213-D235 IonicContact ND1-OD2 2.73Å; H213-D235 PolarHBondContact ND1-OD2 2.84Å; G214-D235 PolarHBondContact N-OD2 3.47Å; S233-D235 VanDerWaalsContact CB-OD1 3.26Å; S233-D235 WeakPolarHBondContact CB-OD1 3.49Å; S233-D235 PolarHBondContact O-N 3.5Å; S233-D235 VanDerWaalsContact OG-CG 3.28Å; S233-D235 PolarHBondContact OG-N 2.85Å; S233-D235 VanDerWaalsContact OG-N 3.11Å; S233-D235 PolarHBondContact OG-OD1 2.98Å; D235-T237 VanDerWaalsContact C-N 3.27Å; D235-T237 PolarHBondContact O-N 3.08Å; D235-T237 WeakPolarHBondContact OD1-CA 3.12Å; D235-T237 VanDerWaalsContact OD1-CB 3.24Å; D235-T237 WeakPolarHBondContact OD1-CB 3.45Å; D235-T237 PolarHBondContact OD1-N 3.47Å; D235-T237 PolarHBondContact OD1-OG1 3.2Å; D235-T237 PolarHBondContact OD2-OG1 3.47Å; D235-T237 VanDerWaalsContact OD2-OG1 3.1Å
236G95.5Very high95.6Very high2 Ų226.8 Ų26.82%0.02114%0.14CC..SBendtrans76.214.518000000113.9S233 L234 D254 S258S233-G236 PolarHBondContact O-N 3.21Å; S233-G236 VanDerWaalsContact O-N 3.13Å; L234-G236 PolarHBondContact O-N 3.22Å; G236-D254 PolarHBondContact O-N 3.14Å; G236-S258 WeakPolarHBondContact CA-O 3.28Å
237T96.6Very high95.7Very high7 Ų734.7 Ų34.74%0.04317%0.169CC..EExtended strand (participates in β ladder)trans-111140178.275.60000111.3H213 S233 D235 E251 R253 L260H213-T237 PolarHBondContact CE1-O 2.91Å; H213-T237 PolarHBondContact CE1-OG1 2.96Å; H213-T237 PolarHBondContact ND1-OG1 2.95Å; H213-T237 VanDerWaalsContact ND1-OG1 3.16Å; S233-T237 PolarHBondContact N-O 2.89Å; D235-T237 VanDerWaalsContact C-N 3.27Å; D235-T237 PolarHBondContact O-N 3.08Å; D235-T237 WeakPolarHBondContact OD1-CA 3.12Å; D235-T237 VanDerWaalsContact OD1-CB 3.24Å; D235-T237 WeakPolarHBondContact OD1-CB 3.45Å; D235-T237 PolarHBondContact OD1-N 3.47Å; D235-T237 PolarHBondContact OD1-OG1 3.2Å; D235-T237 PolarHBondContact OD2-OG1 3.47Å; D235-T237 VanDerWaalsContact OD2-OG1 3.1Å; T237-E251 HydrophobicContact CG2-CG 4.06Å; T237-E251 WeakPolarHBondContact CG2-OE1 3.15Å; T237-R253 HydrophobicContact CG2-CG 3.73Å; T237-L260 VanDerWaalsContact C-CD1 3.41Å
238L96.8Very high95.9Very high3 Ų333.8 Ų33.82%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-97.3124.3163.2-177.184.1000106.8V230 S231 T232 V252 L260 C263 T273 V275 V285V230-L238 HydrophobicContact CG1-CD1 3.28Å; V230-L238 HydrophobicContact CG1-CD2 4.17Å; V230-L238 HydrophobicContact CG1-CG 3.82Å; S231-L238 CarbonylContact O-C 3.58Å; S231-L238 WeakPolarHBondContact O-CA 3.45Å; T232-L238 HydrophobicContact CG2-CD1 3.42Å; T232-L238 VanDerWaalsContact CG2-CD1 3.42Å; L238-V252 HydrophobicContact CB-CB 4.23Å; L238-V252 HydrophobicContact CD2-CB 4.45Å; L238-V252 PolarHBondContact N-O 2.99Å; L238-V252 PolarHBondContact O-N 2.74Å; L238-L260 HydrophobicContact CB-CD1 3.82Å; L238-C263 HydrophobicContact CD1-CB 4.47Å; L238-T273 HydrophobicContact CD2-CG2 4.04Å; L238-V275 HydrophobicContact CD1-CG2 3.64Å; L238-V275 HydrophobicContact CD2-CG2 4.15Å; L238-V275 HydrophobicContact CG-CG2 4.47Å; L238-V285 HydrophobicContact CD2-CG1 4.34Å
239R97.3Very high95.9Very high34 Ų3436.8 Ų36.813%0.12818%0.183CC..EExtended strand (participates in β ladder)trans-113141.4176.1-70.5-179.3176.7-103.8-6.6110.7G212 V230 S231 W241 R250 E251G212-R239 PolarHBondContact O-NE 2.98Å; G212-R239 PolarHBondContact O-NH2 3.06Å; V230-R239 WeakPolarHBondContact CA-O 3.41Å; S231-R239 PolarHBondContact N-O 3.17Å; S231-R239 PolarHBondContact O-N 3.44Å; R239-W241 HydrophobicContact CB-CZ2 3.66Å; R239-W241 HydrophobicContact CG-CZ2 4.13Å; R239-R250 WeakPolarHBondContact CA-O 3.26Å; R239-E251 HydrophobicContact CG-CB 4.49Å; R239-E251 HydrophobicContact CG-CG 4.29Å; R239-E251 IonicContact CZ-OE2 2.99Å; R239-E251 IonicContact NH1-OE2 3.5Å; R239-E251 IonicContact NH2-OE2 3.34Å; R239-E251 PolarHBondContact NH2-OE2 3.36Å
240I97.2Very high95.8Very high3 Ų341.4 Ų41.42%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-113.1122.8179-59.9158.7000106.7I228 I229 V230 C248 I249 R250 V252 I287I228-I240 HydrophobicContact CG2-CG2 3.47Å; I228-I240 VanDerWaalsContact CG2-CG2 3.47Å; I229-I240 WeakPolarHBondContact O-CA 3.32Å; V230-I240 HydrophobicContact CG2-CG1 4.16Å; I240-C248 CarbonylContact O-C 3.59Å; I240-I249 HydrophobicContact CG2-CB 4.31Å; I240-I249 HydrophobicContact CG2-CD1 4.29Å; I240-I249 PolarHBondContact O-N 3.47Å; I240-R250 HydrophobicContact CB-CB 4.29Å; I240-R250 HydrophobicContact CD1-CB 3.91Å; I240-R250 HydrophobicContact CD1-CG 4.26Å; I240-R250 PolarHBondContact N-O 2.88Å; I240-R250 PolarHBondContact O-N 3.39Å; I240-V252 HydrophobicContact CD1-CG2 4.47Å; I240-I287 HydrophobicContact CD1-CB 4.27Å; I240-I287 HydrophobicContact CD1-CG2 3.56Å; I240-I287 WeakPolarHBondContact CD1-O 3.49Å; I240-I287 HydrophobicContact CG1-CG2 4Å; I240-I287 HydrophobicContact CG2-CG2 3.84Å
241W97.1Very high95.8Very high3 Ų344.7 Ų44.71%0.01122%0.216CC..EExtended strand (participates in β ladder)trans-118.9139.4-172.5-51.489.8000110.6L210 I228 I229 S231 R239 R247 C248L210-W241 HydrophobicContact CB-CD2 4.06Å; L210-W241 HydrophobicContact CB-CE3 3.9Å; L210-W241 HydrophobicContact CB-CH2 4.32Å; L210-W241 HydrophobicContact CB-CZ2 4.45Å; L210-W241 HydrophobicContact CB-CZ3 4.05Å; L210-W241 HydrophobicContact CD1-CB 3.85Å; L210-W241 HydrophobicContact CD1-CD2 4.01Å; L210-W241 HydrophobicContact CD1-CE3 4.44Å; L210-W241 HydrophobicContact CD1-CG 3.74Å; L210-W241 HydrophobicContact CD2-CE3 4.26Å; L210-W241 HydrophobicContact CG-CD2 4.45Å; L210-W241 HydrophobicContact CG-CE3 4.43Å; I228-W241 VanDerWaalsContact CA-O 3.26Å; I228-W241 WeakPolarHBondContact CA-O 3.29Å; I229-W241 HydrophobicContact CB-CB 4.44Å; I229-W241 PolarHBondContact N-O 3.16Å; I229-W241 PolarHBondContact O-N 3.24Å; S231-W241 PolarHBondContact OG-NE1 2.9Å; R239-W241 HydrophobicContact CB-CZ2 3.66Å; R239-W241 HydrophobicContact CG-CZ2 4.13Å; W241-R247 WeakPolarHBondContact CA-O 3.43Å; W241-C248 HydrophobicContact CD2-CB 4.44Å; W241-C248 HydrophobicContact CE3-CB 3.73Å; W241-C248 HydrophobicContact CH2-CB 4.17Å; W241-C248 HydrophobicContact CZ3-CB 3.57Å
242N95.6Very high95.7Very high43 Ų4345.8 Ų45.823%0.2322%0.222CC..EExtended strand (participates in β ladder)trans-77.2129.6164.3-173.7-31.2000108.6E244 G246 R247 I249N242-E244 WeakPolarHBondContact OD1-CB 3.2Å; N242-E244 PolarHBondContact OD1-N 3.1Å; N242-G246 WeakPolarHBondContact O-CA 3.42Å; N242-G246 PolarHBondContact O-N 2.6Å; N242-R247 PolarHBondContact N-O 2.8Å; N242-I249 HydrophobicContact CB-CD1 3.92Å; N242-I249 HydrophobicContact CB-CG1 4.03Å
243T93.3Very high95.6Very high11 Ų1154.1 Ų54.17%0.06725%0.254CS..THydrogen-bonded Turntrans-80.1-16.8-177.661.40000113.7L208 W222 N226 D227 I229L208-T243 WeakPolarHBondContact CD1-O 3.19Å; W222-T243 HydrophobicContact CE3-CG2 4.12Å; W222-T243 HydrophobicContact CH2-CG2 4.45Å; W222-T243 HydrophobicContact CZ3-CG2 3.57Å; N226-T243 WeakPolarHBondContact O-CB 3.44Å; N226-T243 WeakPolarHBondContact O-CG2 3.37Å; N226-T243 PolarHBondContact O-OG1 2.99Å; D227-T243 VanDerWaalsContact C-OG1 3.22Å; D227-T243 VanDerWaalsContact CA-OG1 3.31Å; D227-T243 WeakPolarHBondContact CA-OG1 3.44Å; D227-T243 PolarHBondContact O-N 3.26Å; D227-T243 PolarHBondContact O-OG1 2.89Å; D227-T243 VanDerWaalsContact O-OG1 3.08Å; I229-T243 HydrophobicContact CB-CG2 4.37Å; I229-T243 HydrophobicContact CD1-CG2 3.82Å; I229-T243 HydrophobicContact CG1-CG2 3.65Å
244E91.8Very high95.3Very high129 Ų12954.5 Ų54.560%0.60326%0.256SS*.THydrogen-bonded Turntrans-78.8-51.3178.1-63.4-171.8152.200111.7N242N242-E244 WeakPolarHBondContact OD1-CB 3.2Å; N242-E244 PolarHBondContact OD1-N 3.1Å
245D92.5Very high94.7Very high96 Ų9656.3 Ų56.351%0.51327%0.271SS..THydrogen-bonded Turntrans-102.3-12.5-173.9-70.1-18.9000113.6R247D245-R247 HydrophobicContact CB-CG 4.06Å; D245-R247 PolarHBondContact O-N 3.35Å
246G93Very high94.3Very high16 Ų1658.7 Ų58.717%0.16528%0.281CS..  trans69.611.4-175.600000115L210 N242L210-G246 WeakPolarHBondContact CD2-O 2.99Å; N242-G246 WeakPolarHBondContact O-CA 3.42Å; N242-G246 PolarHBondContact O-N 2.6Å
247R95Very high94Very high182 Ų18263.2 Ų63.269%0.68731%0.312SS*.  trans-74.8137.7179.6-69.2178.6179.6177.52.1111W241 N242 D245 I249W241-R247 WeakPolarHBondContact CA-O 3.43Å; N242-R247 PolarHBondContact N-O 2.8Å; D245-R247 HydrophobicContact CB-CG 4.06Å; D245-R247 PolarHBondContact O-N 3.35Å; R247-I249 PolarHBondContact O-N 2.83Å
248C96.4Very high93.9Very high48 Ų4863 Ų6332%0.32431%0.311SS..EExtended strand (participates in β ladder)trans-71.4107.1168.9-173.10000108.9I240 W241I240-C248 CarbonylContact O-C 3.59Å; W241-C248 HydrophobicContact CD2-CB 4.44Å; W241-C248 HydrophobicContact CE3-CB 3.73Å; W241-C248 HydrophobicContact CH2-CB 4.17Å; W241-C248 HydrophobicContact CZ3-CB 3.57Å
249I95.5Very high93.9Very high95 Ų9566.9 Ų66.949%0.48733%0.329SS..EExtended strand (participates in β ladder)trans-69-42.3177.2-56.3175.3000109.5I228 I240 N242 R247I228-I249 HydrophobicContact CD1-CD1 4.48Å; I228-I249 HydrophobicContact CG1-CD1 4.31Å; I240-I249 HydrophobicContact CG2-CB 4.31Å; I240-I249 HydrophobicContact CG2-CD1 4.29Å; I240-I249 PolarHBondContact O-N 3.47Å; N242-I249 HydrophobicContact CB-CD1 3.92Å; N242-I249 HydrophobicContact CB-CG1 4.03Å; R247-I249 PolarHBondContact O-N 2.83Å
250R95.1Very high93.9Very high98 Ų9865.7 Ų65.737%0.3733%0.325SS..EExtended strand (participates in β ladder)trans-155.8143.6-174.1-173.9179.4-66.8-87.1-1.4111.7R239 I240 V252 S288 T289R239-R250 WeakPolarHBondContact CA-O 3.26Å; I240-R250 HydrophobicContact CB-CB 4.29Å; I240-R250 HydrophobicContact CD1-CB 3.91Å; I240-R250 HydrophobicContact CD1-CG 4.26Å; I240-R250 PolarHBondContact N-O 2.88Å; I240-R250 PolarHBondContact O-N 3.39Å; R250-V252 HydrophobicContact CG-CG2 3.98Å; R250-S288 VanDerWaalsContact CZ-O 3.29Å; R250-S288 PolarHBondContact NE-O 3.05Å; R250-S288 PolarHBondContact NH2-O 3.38Å; R250-T289 PolarHBondContact NH1-O 2.94Å
251E96Very high93.9Very high69 Ų6966.7 Ų66.732%0.32233%0.33SS..EExtended strand (participates in β ladder)trans-112.2128168.2-175.4-175.6141.400108.4T237 R239 R253T237-E251 HydrophobicContact CG2-CG 4.06Å; T237-E251 WeakPolarHBondContact CG2-OE1 3.15Å; R239-E251 HydrophobicContact CG-CB 4.49Å; R239-E251 HydrophobicContact CG-CG 4.29Å; R239-E251 IonicContact CZ-OE2 2.99Å; R239-E251 IonicContact NH1-OE2 3.5Å; R239-E251 IonicContact NH2-OE2 3.34Å; R239-E251 PolarHBondContact NH2-OE2 3.36Å; E251-R253 IonicContact OE1-CZ 3.94Å; E251-R253 VanDerWaalsContact OE1-CZ 3.24Å; E251-R253 IonicContact OE1-NE 3.66Å; E251-R253 PolarHBondContact OE1-NE 2.67Å; E251-R253 IonicContact OE1-NH2 2.91Å; E251-R253 PolarHBondContact OE1-NH2 2.79Å
252V96.1Very high93.9Very high22 Ų2266.5 Ų66.513%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-121.6115.8177.8-178.50000107.9L238 I240 R250 V285 G290L238-V252 HydrophobicContact CB-CB 4.23Å; L238-V252 HydrophobicContact CD2-CB 4.45Å; L238-V252 PolarHBondContact N-O 2.99Å; L238-V252 PolarHBondContact O-N 2.74Å; I240-V252 HydrophobicContact CD1-CG2 4.47Å; R250-V252 HydrophobicContact CG-CG2 3.98Å; V252-V285 HydrophobicContact CG1-CG1 4.31Å; V252-G290 WeakPolarHBondContact CG1-O 3.4Å
253R94.9Very high93.9Very high175 Ų17564.8 Ų64.866%0.6632%0.321SS*.EExtended strand (participates in β ladder)trans-88.3140.9177.7-73.1177.4-167.9156.24.5111.1T237 E251T237-R253 HydrophobicContact CG2-CG 3.73Å; E251-R253 IonicContact OE1-CZ 3.94Å; E251-R253 VanDerWaalsContact OE1-CZ 3.24Å; E251-R253 IonicContact OE1-NE 3.66Å; E251-R253 PolarHBondContact OE1-NE 2.67Å; E251-R253 IonicContact OE1-NH2 2.91Å; E251-R253 PolarHBondContact OE1-NH2 2.79Å
254D91.6Very high94.1Very high9 Ų965.6 Ų65.65%0.04833%0.326CS..  trans-63.3130.3164.5-174.457.9000108.8G236 E256 S257 S258 L260 Q283 K292G236-D254 PolarHBondContact O-N 3.14Å; D254-E256 PolarHBondContact O-N 2.89Å; D254-E256 VanDerWaalsContact O-N 3.15Å; D254-E256 PolarHBondContact OD2-N 2.8Å; D254-S257 WeakPolarHBondContact O-CA 3.23Å; D254-S257 PolarHBondContact O-N 2.86Å; D254-S258 WeakPolarHBondContact OD2-CB 3.05Å; D254-S258 PolarHBondContact OD2-N 2.71Å; D254-S258 PolarHBondContact OD2-OG 2.77Å; D254-L260 HydrophobicContact CB-CD2 4.13Å; D254-Q283 PolarHBondContact OD1-NE2 3.28Å; D254-K292 IonicContact OD1-NZ 3.29Å
255P86Confident94.2Very high96 Ų9660 Ų6062%0.62330%0.3SS*.THydrogen-bonded Turntrans-59.4-25.8-179.6-29.738.9000114.7S257P255-S257 VanDerWaalsContact C-N 3.3Å
256E87.3Confident94.3Very high92 Ų9255.6 Ų55.643%0.4328%0.276SS..THydrogen-bonded Turntrans-94.48.6176.7-62.2-176.8-167.900112.4D254 S258 K279D254-E256 PolarHBondContact O-N 2.89Å; D254-E256 VanDerWaalsContact O-N 3.15Å; D254-E256 PolarHBondContact OD2-N 2.8Å; E256-S258 WeakPolarHBondContact CB-OG 3.2Å; E256-S258 PolarHBondContact O-N 3.06Å; E256-S258 VanDerWaalsContact O-N 3.16Å; E256-K279 PolarHBondContact O-NZ 2.79Å; E256-K279 WeakPolarHBondContact OE2-CD 3.37Å
257S89.7Confident94.1Very high97 Ų9756.4 Ų56.468%0.67828%0.278SS*.  trans49.836.7-176-167.50000112.6D254 P255D254-S257 WeakPolarHBondContact O-CA 3.23Å; D254-S257 PolarHBondContact O-N 2.86Å; P255-S257 VanDerWaalsContact C-N 3.3Å
258S94.5Very high93.8Very high3 Ų353.6 Ų53.62%0.02127%0.274CS..PPolyproline II helixtrans-86.6144.1-178.3-41.50000110.5G236 D254 E256 L260 K279G236-S258 WeakPolarHBondContact CA-O 3.28Å; D254-S258 WeakPolarHBondContact OD2-CB 3.05Å; D254-S258 PolarHBondContact OD2-N 2.71Å; D254-S258 PolarHBondContact OD2-OG 2.77Å; E256-S258 WeakPolarHBondContact CB-OG 3.2Å; E256-S258 PolarHBondContact O-N 3.06Å; E256-S258 VanDerWaalsContact O-N 3.16Å; S258-L260 PolarHBondContact O-N 3.41Å; S258-K279 WeakPolarHBondContact OG-CD 3.43Å; S258-K279 WeakPolarHBondContact OG-CE 3.22Å; S258-K279 WeakPolarHBondContact OG-CG 3.49Å; S258-K279 PolarHBondContact OG-NZ 3.11Å
259E96.4Very high93.4Very high84 Ų8453.4 Ų53.439%0.39327%0.27SS..PPolyproline II helixtrans-54.9131.3174.7-54.8171.7156.100110.7L234 L261 N277 S278L234-E259 HydrophobicContact CB-CG 4.36Å; L234-E259 HydrophobicContact CD2-CB 3.89Å; L234-E259 HydrophobicContact CD2-CG 4.28Å; L234-E259 WeakPolarHBondContact O-CG 3.34Å; E259-L261 HydrophobicContact CB-CD2 4.46Å; E259-N277 CarbonylContact O-C 3.56Å; E259-N277 VanDerWaalsContact O-CA 3.24Å; E259-N277 WeakPolarHBondContact O-CA 3.38Å; E259-N277 VanDerWaalsContact O-CB 3.29Å; E259-N277 WeakPolarHBondContact O-CB 3.38Å; E259-S278 PolarHBondContact O-N 3.44Å
260L97.3Very high93.1Very high8 Ų850.9 Ų50.94%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-93.5132.2174.2-56.4-176.5000108.1T218 T232 S233 T237 L238 D254 S258 V275 N277T218-L260 PolarHBondContact OG1-O 2.78Å; T232-L260 HydrophobicContact CG2-CB 3.84Å; T232-L260 HydrophobicContact CG2-CD1 4.14Å; S233-L260 CarbonylContact C-O 3.54Å; S233-L260 PolarHBondContact O-N 2.93Å; T237-L260 VanDerWaalsContact C-CD1 3.41Å; L238-L260 HydrophobicContact CB-CD1 3.82Å; D254-L260 HydrophobicContact CB-CD2 4.13Å; S258-L260 PolarHBondContact O-N 3.41Å; L260-V275 HydrophobicContact CB-CG1 4.2Å; L260-V275 HydrophobicContact CD1-CG1 3.97Å; L260-V275 HydrophobicContact CD2-CG1 3.71Å; L260-V275 HydrophobicContact CG-CG1 4.17Å; L260-N277 HydrophobicContact CD2-CB 3.83Å
261L96.9Very high92.9Very high24 Ų2450.2 Ų50.213%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-112.3-35.7-169.7-61179.8000112.3T218 L234 E259 G276 R303 V304 L305T218-L261 VanDerWaalsContact CB-O 3.29Å; T218-L261 WeakPolarHBondContact CB-O 3.2Å; T218-L261 HydrophobicContact CG2-CD2 4.41Å; T218-L261 WeakPolarHBondContact OG1-CA 3.4Å; T218-L261 PolarHBondContact OG1-O 2.86Å; L234-L261 HydrophobicContact CD2-CD2 3.64Å; E259-L261 HydrophobicContact CB-CD2 4.46Å; L261-G276 PolarHBondContact N-O 2.81Å; L261-R303 HydrophobicContact CD1-CB 3.87Å; L261-R303 HydrophobicContact CD1-CG 4.45Å; L261-V304 VanDerWaalsContact CB-O 3.29Å; L261-V304 WeakPolarHBondContact CB-O 3.47Å; L261-L305 HydrophobicContact CD1-CD2 3.88Å
262C96.4Very high92.8Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-147.4153.3-178.459.70000112.1D219 V275 G276 V304 L305D219-C262 VanDerWaalsContact OD2-CA 3.28Å; D219-C262 WeakPolarHBondContact OD2-CA 3.45Å; D219-C262 WeakPolarHBondContact OD2-CB 3.37Å; C262-V275 WeakPolarHBondContact O-CA 3.19Å; C262-G276 PolarHBondContact O-N 3.16Å; C262-V304 PolarHBondContact SG-O 3.28Å; C262-L305 WeakPolarHBondContact CB-O 3.21Å
263C96.9Very high92.8Very high6 Ų646.4 Ų46.44%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-145.9154.1173.259.40000112.5D219 T232 L238 V274 V275D219-C263 PolarHBondContact OD2-N 2.91Å; T232-C263 HydrophobicContact CG2-CB 3.57Å; L238-C263 HydrophobicContact CD1-CB 4.47Å; C263-V274 CarbonylContact C-O 3.54Å; C263-V274 VanDerWaalsContact CA-O 3.25Å; C263-V274 WeakPolarHBondContact CA-O 3.35Å; C263-V275 HydrophobicContact CB-CG2 4.27Å
264T96.1Very high92.9Very high28 Ų2838 Ų3817%0.17221%0.211CC..EExtended strand (participates in β ladder)trans-146.2146.9170.1-176.70000110.3T273 V274 L307 F309 L316T264-T273 CarbonylContact O-C 3.46Å; T264-T273 WeakPolarHBondContact O-CA 3.36Å; T264-T273 PolarHBondContact O-OG1 2.99Å; T264-V274 HydrophobicContact CG2-CB 4.3Å; T264-V274 PolarHBondContact N-O 3.13Å; T264-V274 PolarHBondContact O-N 3.24Å; T264-L307 HydrophobicContact CG2-CB 3.75Å; T264-L307 HydrophobicContact CG2-CD1 4.32Å; T264-F309 HydrophobicContact CG2-CD2 3.7Å; T264-F309 HydrophobicContact CG2-CE2 3.73Å; T264-L316 HydrophobicContact CG2-CD1 4.23Å
265F95.4Very high93.2Very high13 Ų1338.1 Ų38.16%0.05721%0.211CC..EExtended strand (participates in β ladder)trans-71.8152.1164.6-83.9-94.2000110.4A221 W222 I228 V230 N270 I287 F309A221-F265 HydrophobicContact CB-CD2 3.69Å; A221-F265 HydrophobicContact CB-CE2 4.21Å; A221-F265 WeakPolarHBondContact O-CE2 3.25Å; W222-F265 VanDerWaalsContact C-CE2 3.47Å; W222-F265 WeakPolarHBondContact O-CD2 3.43Å; I228-F265 HydrophobicContact CG2-CZ 4.42Å; V230-F265 HydrophobicContact CB-CE2 3.76Å; V230-F265 HydrophobicContact CB-CZ 4.09Å; V230-F265 HydrophobicContact CG2-CE1 4.26Å; V230-F265 HydrophobicContact CG2-CE2 3.57Å; V230-F265 HydrophobicContact CG2-CZ 3.35Å; F265-N270 WeakPolarHBondContact CD1-OD1 3.5Å; F265-N270 WeakPolarHBondContact CE1-O 3.46Å; F265-N270 WeakPolarHBondContact CE1-OD1 3.27Å; F265-I287 HydrophobicContact CD1-CD1 3.73Å; F265-I287 HydrophobicContact CE1-CD1 3.11Å; F265-I287 HydrophobicContact CZ-CD1 3.79Å; F265-F309 WeakPolarHBondContact O-CD2 3.5Å
266Q93.6Very high93.7Very high3 Ų333.5 Ų33.51%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-76.8127.4162.4-163-68.7-29.800107.8M268 N269 L272 F309 G313 F330 M332Q266-M268 VanDerWaalsContact C-N 3.33Å; Q266-M268 PolarHBondContact O-N 2.8Å; Q266-M268 VanDerWaalsContact OE1-C 3.28Å; Q266-N269 CarbonylContact O-C 3.55Å; Q266-N269 PolarHBondContact O-N 3.4Å; Q266-N269 VanDerWaalsContact OE1-CB 3.26Å; Q266-L272 HydrophobicContact CB-CB 4.14Å; Q266-L272 PolarHBondContact N-O 2.89Å; Q266-F309 HydrophobicContact CB-CE2 4.26Å; Q266-F309 HydrophobicContact CB-CZ 4.28Å; Q266-F309 HydrophobicContact CG-CE1 4.25Å; Q266-F309 HydrophobicContact CG-CE2 4.38Å; Q266-F309 HydrophobicContact CG-CZ 4Å; Q266-G313 PolarHBondContact NE2-O 2.98Å; Q266-F330 HydrophobicContact CG-CD1 4.16Å; Q266-F330 HydrophobicContact CG-CE1 3.67Å; Q266-F330 HydrophobicContact CG-CZ 3.98Å; Q266-M332 VanDerWaalsContact CD-CE 3.43Å; Q266-M332 HydrophobicContact CG-CE 4.39Å; Q266-M332 HydrophobicContact CG-SD 4.11Å; Q266-M332 VanDerWaalsContact NE2-CE 3.29Å; Q266-M332 PolarHBondContact NE2-SD 2.77Å
267P88.8Confident94.1Very high32 Ų3229.2 Ų29.221%0.20816%0.162CC..THydrogen-bonded Turntrans-68.5-22.9-166.523.8-35.4000115.6F309P267-F309 HydrophobicContact CG-CB 4.08Å; P267-F309 HydrophobicContact CG-CG 4.49Å
268M88.4Confident94.4Very high123 Ų12325.8 Ų25.861%0.60614%0.137SC*.THydrogen-bonded Turntrans-105.7-8.2-177.3-61.5-72.288.400113.7Q266 P312 M332Q266-M268 VanDerWaalsContact C-N 3.33Å; Q266-M268 PolarHBondContact O-N 2.8Å; Q266-M268 VanDerWaalsContact OE1-C 3.28Å; M268-P312 WeakPolarHBondContact CG-O 3.24Å; M268-M332 HydrophobicContact CB-CE 3.89Å
269N89.6Confident94.4Very high44 Ų4429.8 Ų29.824%0.23516%0.155CC..EExtended strand (participates in β ladder)trans-141.992.7-173.1-176-11.9000108.4Q266 N271 L272 M332Q266-N269 CarbonylContact O-C 3.55Å; Q266-N269 PolarHBondContact O-N 3.4Å; Q266-N269 VanDerWaalsContact OE1-CB 3.26Å; N269-N271 PolarHBondContact O-N 2.89Å; N269-N271 WeakPolarHBondContact OD1-CB 3.09Å; N269-N271 PolarHBondContact OD1-N 2.84Å; N269-L272 WeakPolarHBondContact ND2-CD1 3.47Å; N269-L272 PolarHBondContact O-N 2.83Å; N269-L272 VanDerWaalsContact O-N 3.11Å; N269-M332 HydrophobicContact CB-CE 3.83Å
270N87.4Confident94.4Very high43 Ų4328.9 Ų28.923%0.2315%0.15CC..EExtended strand (participates in β ladder)trans-65-4.8-178.5-159.334.4000114.2S223 L224 S225 F265 I287S223-N270 WeakPolarHBondContact CA-OD1 3.4Å; S223-N270 WeakPolarHBondContact CB-OD1 3.35Å; L224-N270 PolarHBondContact N-OD1 2.98Å; S225-N270 PolarHBondContact OG-ND2 2.96Å; S225-N270 VanDerWaalsContact OG-ND2 3.15Å; F265-N270 WeakPolarHBondContact CD1-OD1 3.5Å; F265-N270 WeakPolarHBondContact CE1-O 3.46Å; F265-N270 WeakPolarHBondContact CE1-OD1 3.27Å; N270-I287 WeakPolarHBondContact O-CD1 3.23Å
271N91.6Very high94.3Very high84 Ų8430 Ų3045%0.44916%0.155SC..EExtended strand (participates in β ladder)trans-92.5-8.4176.6-69.6-42.7000113.5N269 N286 I287N269-N271 PolarHBondContact O-N 2.89Å; N269-N271 WeakPolarHBondContact OD1-CB 3.09Å; N269-N271 PolarHBondContact OD1-N 2.84Å; N271-N286 CarbonylContact O-C 3.55Å; N271-N286 WeakPolarHBondContact O-CA 3.37Å; N271-I287 PolarHBondContact O-N 3.44Å
272L94.5Very high94.2Very high10 Ų1028.9 Ų28.95%0.05215%0.149CC..EExtended strand (participates in β ladder)trans-115130.7-178.6-62.5-178.9000110.5Q266 N269 V284 N286 V293 F330Q266-L272 HydrophobicContact CB-CB 4.14Å; Q266-L272 PolarHBondContact N-O 2.89Å; N269-L272 WeakPolarHBondContact ND2-CD1 3.47Å; N269-L272 PolarHBondContact O-N 2.83Å; N269-L272 VanDerWaalsContact O-N 3.11Å; L272-V284 HydrophobicContact CB-CG1 4.47Å; L272-V284 HydrophobicContact CD2-CG1 4.36Å; L272-N286 HydrophobicContact CD2-CB 4.07Å; L272-V293 HydrophobicContact CD2-CG2 3.89Å; L272-F330 HydrophobicContact CD1-CE1 4.27Å; L272-F330 HydrophobicContact CD1-CZ 3.77Å
273T95.8Very high94.2Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-123.6150.3170.1-176.10000109.7V230 L238 T264 V275 V284 V285 I287V230-T273 HydrophobicContact CG1-CG2 4.46Å; L238-T273 HydrophobicContact CD2-CG2 4.04Å; T264-T273 CarbonylContact O-C 3.46Å; T264-T273 WeakPolarHBondContact O-CA 3.36Å; T264-T273 PolarHBondContact O-OG1 2.99Å; T273-V275 HydrophobicContact CG2-CG2 4.42Å; T273-V284 CarbonylContact O-C 3.57Å; T273-V284 WeakPolarHBondContact O-CA 3.27Å; T273-V285 HydrophobicContact CG2-CB 4.02Å; T273-V285 PolarHBondContact N-O 3.44Å; T273-V285 PolarHBondContact O-N 3.09Å; T273-I287 HydrophobicContact CG2-CD1 4.24Å; T273-I287 HydrophobicContact CG2-CG1 3.81Å
274V97.1Very high94.2Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-113.8134.3174.2-170.90000108.9C263 T264 L282 Q283 V284 L307 F309 L316 F330C263-V274 CarbonylContact C-O 3.54Å; C263-V274 VanDerWaalsContact CA-O 3.25Å; C263-V274 WeakPolarHBondContact CA-O 3.35Å; T264-V274 HydrophobicContact CG2-CB 4.3Å; T264-V274 PolarHBondContact N-O 3.13Å; T264-V274 PolarHBondContact O-N 3.24Å; V274-L282 HydrophobicContact CG1-CD2 3.32Å; V274-L282 HydrophobicContact CG1-CG 3.88Å; V274-Q283 WeakPolarHBondContact CA-O 3.49Å; V274-V284 HydrophobicContact CG2-CG2 4.05Å; V274-L307 HydrophobicContact CB-CD1 4.44Å; V274-L307 HydrophobicContact CG1-CD1 4.18Å; V274-F309 HydrophobicContact CB-CE2 4.44Å; V274-F309 HydrophobicContact CG2-CE2 3.75Å; V274-F309 HydrophobicContact CG2-CZ 3.66Å; V274-L316 HydrophobicContact CB-CD2 4.35Å; V274-L316 HydrophobicContact CG1-CD2 3.74Å; V274-L316 HydrophobicContact CG2-CD2 4.34Å; V274-F330 HydrophobicContact CG2-CE2 4.46Å
275V97Very high94.1Very high10 Ų1028.5 Ų28.56%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-126.5138.3-174.8-178.20000109.6T232 L238 L260 C262 C263 T273 L282 Q283T232-V275 HydrophobicContact CG2-CG1 3.94Å; L238-V275 HydrophobicContact CD1-CG2 3.64Å; L238-V275 HydrophobicContact CD2-CG2 4.15Å; L238-V275 HydrophobicContact CG-CG2 4.47Å; L260-V275 HydrophobicContact CB-CG1 4.2Å; L260-V275 HydrophobicContact CD1-CG1 3.97Å; L260-V275 HydrophobicContact CD2-CG1 3.71Å; L260-V275 HydrophobicContact CG-CG1 4.17Å; C262-V275 WeakPolarHBondContact O-CA 3.19Å; C263-V275 HydrophobicContact CB-CG2 4.27Å; T273-V275 HydrophobicContact CG2-CG2 4.42Å; V275-L282 CarbonylContact O-C 3.03Å; V275-L282 WeakPolarHBondContact O-CA 3.42Å; V275-Q283 PolarHBondContact N-O 3.45Å; V275-Q283 PolarHBondContact O-N 3.25Å
276G96.6Very high94.1Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-111.4141.6172.400000111.5L261 C262L261-G276 PolarHBondContact N-O 2.81Å; C262-G276 PolarHBondContact O-N 3.16Å
277N96.2Very high94.1Very high2 Ų230 Ų301%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-123.2173.2-17881.84.9000113.6E259 L260 K279 H280 H281 V304E259-N277 CarbonylContact O-C 3.56Å; E259-N277 VanDerWaalsContact O-CA 3.24Å; E259-N277 WeakPolarHBondContact O-CA 3.38Å; E259-N277 VanDerWaalsContact O-CB 3.29Å; E259-N277 WeakPolarHBondContact O-CB 3.38Å; L260-N277 HydrophobicContact CD2-CB 3.83Å; N277-K279 VanDerWaalsContact C-N 3.3Å; N277-K279 PolarHBondContact O-N 3.04Å; N277-K279 VanDerWaalsContact OD1-C 3.31Å; N277-K279 WeakPolarHBondContact OD1-CA 3.06Å; N277-K279 PolarHBondContact OD1-N 3.4Å; N277-H280 PolarHBondContact OD1-N 2.68Å; N277-H281 PolarHBondContact N-O 3.27Å; N277-H281 WeakPolarHBondContact OD1-CA 3.38Å; N277-H281 WeakPolarHBondContact OD1-CB 3.48Å; N277-H281 PolarHBondContact OD1-N 3.08Å; N277-H281 PolarHBondContact OD1-O 2.89Å; N277-V304 PolarHBondContact O-N 3.33Å; N277-V304 VanDerWaalsContact O-N 3.17Å
278S95.9Very high94.2Very high24 Ų2431.7 Ų31.717%0.16817%0.166CC..THydrogen-bonded Turntrans-75.2-12.1178.365.60000114.6E259 H280 R303E259-S278 PolarHBondContact O-N 3.44Å; S278-H280 VanDerWaalsContact C-N 3.32Å; S278-R303 WeakPolarHBondContact O-CG 3.28Å
279K95.3Very high94.3Very high88 Ų8829 Ų2938%0.38316%0.157SC..THydrogen-bonded Turntrans-96.424.5174.7-66.5-169.1-167.5154.20113.5E256 S258 N277 H281E256-K279 PolarHBondContact O-NZ 2.79Å; E256-K279 WeakPolarHBondContact OE2-CD 3.37Å; S258-K279 WeakPolarHBondContact OG-CD 3.43Å; S258-K279 WeakPolarHBondContact OG-CE 3.22Å; S258-K279 WeakPolarHBondContact OG-CG 3.49Å; S258-K279 PolarHBondContact OG-NZ 3.11Å; N277-K279 VanDerWaalsContact C-N 3.3Å; N277-K279 PolarHBondContact O-N 3.04Å; N277-K279 VanDerWaalsContact OD1-C 3.31Å; N277-K279 WeakPolarHBondContact OD1-CA 3.06Å; N277-K279 PolarHBondContact OD1-N 3.4Å; K279-H281 PolarHBondContact O-CD2 2.82Å; K279-H281 PolarHBondContact O-N 3.06Å
280H94.9Very high94.3Very high64 Ų6427.6 Ų27.630%0.29615%0.153SC..SBendtrans69.69.4175.6-32.4-54.2000114.5N277 S278 K299 L300 G302 R303N277-H280 PolarHBondContact OD1-N 2.68Å; S278-H280 VanDerWaalsContact C-N 3.32Å; H280-K299 HydrophobicContact CB-CG 4.1Å; H280-K299 CarbonylContact O-C 3.51Å; H280-K299 WeakPolarHBondContact O-CA 3.39Å; H280-L300 WeakPolarHBondContact CB-O 3.4Å; H280-L300 PolarHBondContact O-N 3.24Å; H280-G302 VanDerWaalsContact CA-O 3.31Å; H280-G302 WeakPolarHBondContact CA-O 3.43Å; H280-G302 VanDerWaalsContact CB-O 3.29Å; H280-G302 WeakPolarHBondContact CB-O 3.45Å; H280-G302 WeakPolarHBondContact ND1-CA 3.19Å; H280-G302 PolarHBondContact ND1-O 2.87Å; H280-R303 PolarHBondContact ND1-N 3.28Å
281H95Very high94.5Very high33 Ų3332.8 Ų32.815%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-90.7138.4179.3-69.6-80.9000110.7N277 K279 Q283N277-H281 PolarHBondContact N-O 3.27Å; N277-H281 WeakPolarHBondContact OD1-CA 3.38Å; N277-H281 WeakPolarHBondContact OD1-CB 3.48Å; N277-H281 PolarHBondContact OD1-N 3.08Å; N277-H281 PolarHBondContact OD1-O 2.89Å; K279-H281 PolarHBondContact O-CD2 2.82Å; K279-H281 PolarHBondContact O-N 3.06Å; H281-Q283 HydrophobicContact CB-CG 4.45Å
282L95.9Very high94.6Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-119.1128.1171.2-174.8164.1000107.4V274 V275 S297 S298 L300 V304 L307 L316 A318 F328 L337V274-L282 HydrophobicContact CG1-CD2 3.32Å; V274-L282 HydrophobicContact CG1-CG 3.88Å; V275-L282 CarbonylContact O-C 3.03Å; V275-L282 WeakPolarHBondContact O-CA 3.42Å; L282-S297 CarbonylContact O-C 3.56Å; L282-S297 WeakPolarHBondContact O-CA 3.4Å; L282-S298 PolarHBondContact N-O 3.11Å; L282-S298 PolarHBondContact O-N 3.01Å; L282-L300 HydrophobicContact CB-CD1 3.83Å; L282-L300 HydrophobicContact CD1-CD1 4.1Å; L282-V304 HydrophobicContact CD1-CG1 4.5Å; L282-L307 HydrophobicContact CD1-CD2 3.6Å; L282-L307 HydrophobicContact CG-CD2 4.32Å; L282-L316 HydrophobicContact CD1-CD2 4.09Å; L282-L316 HydrophobicContact CD2-CD2 4.12Å; L282-A318 HydrophobicContact CD1-CB 3.59Å; L282-F328 HydrophobicContact CD1-CD2 4.35Å; L282-F328 HydrophobicContact CD1-CE2 3.94Å; L282-F328 HydrophobicContact CD1-CZ 4.43Å; L282-L337 HydrophobicContact CD2-CD2 3.21Å; L282-L337 HydrophobicContact CG-CD2 4.43Å
283Q95.4Very high94.6Very high17 Ų1734 Ų348%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-136.6135.5-169.6-56.5178.719.900111.7D254 V274 V275 H281 G296D254-Q283 PolarHBondContact OD1-NE2 3.28Å; V274-Q283 WeakPolarHBondContact CA-O 3.49Å; V275-Q283 PolarHBondContact N-O 3.45Å; V275-Q283 PolarHBondContact O-N 3.25Å; H281-Q283 HydrophobicContact CB-CG 4.45Å; Q283-G296 CarbonylContact C-O 3.22Å; Q283-G296 WeakPolarHBondContact CA-O 3.39Å
284V96.6Very high94.3Very high1 Ų143.6 Ų43.61%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-91.6124.5171.4-174.10000108.5L272 T273 V274 K292 V293 G296 F330L272-V284 HydrophobicContact CB-CG1 4.47Å; L272-V284 HydrophobicContact CD2-CG1 4.36Å; T273-V284 CarbonylContact O-C 3.57Å; T273-V284 WeakPolarHBondContact O-CA 3.27Å; V274-V284 HydrophobicContact CG2-CG2 4.05Å; V284-K292 WeakPolarHBondContact O-CA 3.37Å; V284-V293 HydrophobicContact CB-CB 4.22Å; V284-V293 HydrophobicContact CB-CG2 4.3Å; V284-V293 HydrophobicContact CG1-CB 4.18Å; V284-V293 HydrophobicContact CG1-CG2 3.8Å; V284-V293 PolarHBondContact O-N 3.24Å; V284-G296 WeakPolarHBondContact CG2-O 3.24Å; V284-G296 PolarHBondContact N-O 2.78Å; V284-F330 HydrophobicContact CG1-CE2 3.96Å; V284-F330 HydrophobicContact CG1-CZ 4.27Å; V284-F330 HydrophobicContact CG2-CD2 4.46Å; V284-F330 HydrophobicContact CG2-CE2 3.8Å
285V95.7Very high93.9Very high7 Ų745.5 Ų45.54%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-119.9134-177.9-178.10000109L238 V252 T273L238-V285 HydrophobicContact CD2-CG1 4.34Å; V252-V285 HydrophobicContact CG1-CG1 4.31Å; T273-V285 HydrophobicContact CG2-CB 4.02Å; T273-V285 PolarHBondContact N-O 3.44Å; T273-V285 PolarHBondContact O-N 3.09Å
286N94.4Very high93.6Very high37 Ų3745.1 Ų45.120%0.19824%0.236CC..EExtended strand (participates in β ladder)trans-84.7124.7170.1176-70.7000109.5N271 L272 S288 T289 G290 K291N271-N286 CarbonylContact O-C 3.55Å; N271-N286 WeakPolarHBondContact O-CA 3.37Å; L272-N286 HydrophobicContact CD2-CB 4.07Å; N286-S288 PolarHBondContact OD1-N 3.15Å; N286-S288 PolarHBondContact OD1-OG 3Å; N286-T289 WeakPolarHBondContact CB-OG1 3.44Å; N286-T289 PolarHBondContact OD1-N 3.48Å; N286-T289 PolarHBondContact OD1-OG1 2.7Å; N286-G290 WeakPolarHBondContact O-CA 3.31Å; N286-G290 PolarHBondContact O-N 3.08Å; N286-K291 PolarHBondContact N-O 3.17Å
287I92.8Very high93.5Very high11 Ų1148.2 Ų48.26%0.05626%0.258CS..THydrogen-bonded Turntrans-72.6-40.5-169.7-63.1166.8000111.4V230 I240 F265 N270 N271 T273 T289V230-I287 HydrophobicContact CG2-CD1 4.23Å; I240-I287 HydrophobicContact CD1-CB 4.27Å; I240-I287 HydrophobicContact CD1-CG2 3.56Å; I240-I287 WeakPolarHBondContact CD1-O 3.49Å; I240-I287 HydrophobicContact CG1-CG2 4Å; I240-I287 HydrophobicContact CG2-CG2 3.84Å; F265-I287 HydrophobicContact CD1-CD1 3.73Å; F265-I287 HydrophobicContact CE1-CD1 3.11Å; F265-I287 HydrophobicContact CZ-CD1 3.79Å; N270-I287 WeakPolarHBondContact O-CD1 3.23Å; N271-I287 PolarHBondContact O-N 3.44Å; T273-I287 HydrophobicContact CG2-CD1 4.24Å; T273-I287 HydrophobicContact CG2-CG1 3.81Å; I287-T289 VanDerWaalsContact C-N 3.34Å; I287-T289 PolarHBondContact O-N 3.22Å
288S91.1Very high93.5Very high67 Ų6749.2 Ų49.247%0.46927%0.265SS..THydrogen-bonded Turntrans-67.7-35.6-177.963.60000112.3R250 N286R250-S288 VanDerWaalsContact CZ-O 3.29Å; R250-S288 PolarHBondContact NE-O 3.05Å; R250-S288 PolarHBondContact NH2-O 3.38Å; N286-S288 PolarHBondContact OD1-N 3.15Å; N286-S288 PolarHBondContact OD1-OG 3Å
289T91.3Very high93.4Very high66 Ų6653.5 Ų53.541%0.40528%0.281SS..THydrogen-bonded Turntrans-97.4-21.8-179.561.80000114.2R250 N286 I287 K291R250-T289 PolarHBondContact NH1-O 2.94Å; N286-T289 WeakPolarHBondContact CB-OG1 3.44Å; N286-T289 PolarHBondContact OD1-N 3.48Å; N286-T289 PolarHBondContact OD1-OG1 2.7Å; I287-T289 VanDerWaalsContact C-N 3.34Å; I287-T289 PolarHBondContact O-N 3.22Å; T289-K291 PolarHBondContact O-N 3.31Å; T289-K291 PolarHBondContact OG1-N 2.96Å
290G90.3Very high93.4Very high16 Ų1649.8 Ų49.817%0.16527%0.265CS..  trans66.813.3-169.100000114.2V252 N286V252-G290 WeakPolarHBondContact CG1-O 3.4Å; N286-G290 WeakPolarHBondContact O-CA 3.31Å; N286-G290 PolarHBondContact O-N 3.08Å
291K91.7Very high93.3Very high151 Ų15149.9 Ų49.966%0.65727%0.27SS*.PPolyproline II helixtrans-96.9147.8-176.9-66.9-176.2179.6179.60111N286 T289N286-K291 PolarHBondContact N-O 3.17Å; T289-K291 PolarHBondContact O-N 3.31Å; T289-K291 PolarHBondContact OG1-N 2.96Å
292K92.6Very high93.2Very high93 Ų9348.4 Ų48.440%0.40426%0.264SS..EExtended strand (participates in β ladder)trans-68.3142.5171.4-56.7-172.7-174.6-164.60110.4D254 V284D254-K292 IonicContact OD1-NZ 3.29Å; V284-K292 WeakPolarHBondContact O-CA 3.37Å
293V94.2Very high93.2Very high28 Ų2853.6 Ų53.617%0.1728%0.283CS..EExtended strand (participates in β ladder)trans-80.4133.7174.8-178.40000110.1L272 V284 G295 G296 T334L272-V293 HydrophobicContact CD2-CG2 3.89Å; V284-V293 HydrophobicContact CB-CB 4.22Å; V284-V293 HydrophobicContact CB-CG2 4.3Å; V284-V293 HydrophobicContact CG1-CB 4.18Å; V284-V293 HydrophobicContact CG1-CG2 3.8Å; V284-V293 PolarHBondContact O-N 3.24Å; V293-G295 PolarHBondContact O-N 3.22Å; V293-G296 PolarHBondContact O-N 3.28Å; V293-T334 WeakPolarHBondContact CG1-O 3.35Å
294K89.8Confident93.3Very high201 Ų20152.8 Ų52.887%0.87428%0.279SS*.EExtended strand (participates in β ladder)trans-64.4122.5178.8-172.3179.3-179.8-179.30109.9G296K294-G296 PolarHBondContact O-N 2.89Å
295G89.1Confident93.2Very high40 Ų4053.8 Ų53.841%0.41229%0.285SS..EExtended strand (participates in β ladder)trans78.11.7-175.800000114.5V293 S297 K336 L337V293-G295 PolarHBondContact O-N 3.22Å; G295-S297 VanDerWaalsContact C-N 3.26Å; G295-S297 PolarHBondContact O-N 3.38Å; G295-K336 WeakPolarHBondContact O-CG 3.13Å; G295-L337 PolarHBondContact O-N 2.92Å
296G91.5Very high93.2Very high1 Ų153.8 Ų53.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-89.530.1172.700000113.1Q283 V284 V293 K294 G335Q283-G296 CarbonylContact C-O 3.22Å; Q283-G296 WeakPolarHBondContact CA-O 3.39Å; V284-G296 WeakPolarHBondContact CG2-O 3.24Å; V284-G296 PolarHBondContact N-O 2.78Å; V293-G296 PolarHBondContact O-N 3.28Å; K294-G296 PolarHBondContact O-N 2.89Å; G296-G335 WeakPolarHBondContact CA-O 3.44Å
297S93.7Very high93.3Very high66 Ų6652.8 Ų52.846%0.46228%0.28SS..EExtended strand (participates in β ladder)trans-125.7137.3179.8-179.30000110.1L282 G295L282-S297 CarbonylContact O-C 3.56Å; L282-S297 WeakPolarHBondContact O-CA 3.4Å; G295-S297 VanDerWaalsContact C-N 3.26Å; G295-S297 PolarHBondContact O-N 3.38Å
298S95.3Very high93.5Very high23 Ų2353.1 Ų53.116%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-144.5164.7174.5-156.10000111.7L282 F328L282-S298 PolarHBondContact N-O 3.11Å; L282-S298 PolarHBondContact O-N 3.01Å; S298-F328 WeakPolarHBondContact OG-CE1 3.29Å
299K94.4Very high93.6Very high114 Ų11450.7 Ų50.750%0.49626%0.264SS..EExtended strand (participates in β ladder)trans-120.2132179.6-162.3173.1-177.31680111.1H280 K339H280-K299 HydrophobicContact CB-CG 4.1Å; H280-K299 CarbonylContact O-C 3.51Å; H280-K299 WeakPolarHBondContact O-CA 3.39Å; K299-K339 PolarHBondContact O-NZ 2.89Å
300L94.8Very high93.7Very high9 Ų948.7 Ų48.75%0.04725%0.25CS..  trans-96.5178174.7-77.878.5000110.3H280 L282 V304 A318 D320 F326 F328H280-L300 WeakPolarHBondContact CB-O 3.4Å; H280-L300 PolarHBondContact O-N 3.24Å; L282-L300 HydrophobicContact CB-CD1 3.83Å; L282-L300 HydrophobicContact CD1-CD1 4.1Å; L300-V304 HydrophobicContact CB-CG2 4.38Å; L300-V304 HydrophobicContact CD1-CG2 4.03Å; L300-V304 HydrophobicContact CD2-CG1 4.42Å; L300-V304 HydrophobicContact CD2-CG2 4.09Å; L300-V304 HydrophobicContact CG-CG2 4.38Å; L300-A318 HydrophobicContact CD2-CB 3.87Å; L300-D320 HydrophobicContact CD2-CB 4.34Å; L300-F326 HydrophobicContact CB-CD2 4.31Å; L300-F326 HydrophobicContact CB-CE2 4.09Å; L300-F326 HydrophobicContact CD2-CB 4.41Å; L300-F326 HydrophobicContact CD2-CD2 3.42Å; L300-F326 VanDerWaalsContact CD2-CD2 3.42Å; L300-F326 HydrophobicContact CD2-CE2 3.96Å; L300-F326 HydrophobicContact CD2-CG 4.15Å; L300-F326 HydrophobicContact CG-CD2 3.67Å; L300-F326 HydrophobicContact CG-CE2 3.96Å; L300-F326 HydrophobicContact CG-CG 4.14Å; L300-F328 HydrophobicContact CD1-CE2 4.19Å; L300-F328 HydrophobicContact CD1-CZ 3.78Å; L300-F328 HydrophobicContact CG-CZ 4.36Å
301T93.1Very high93.5Very high67 Ų6750.8 Ų50.841%0.41127%0.267SS..SBendtrans-83.2-31.9176.435.10000113.2D320 F326T301-D320 PolarHBondContact OG1-OD2 3.16Å; T301-F326 HydrophobicContact CG2-CZ 4.1Å; T301-F326 WeakPolarHBondContact OG1-CE2 3.19Å; T301-F326 VanDerWaalsContact OG1-CZ 3.29Å; T301-F326 WeakPolarHBondContact OG1-CZ 3.41Å
302G93.8Very high93.3Very high1 Ų147.4 Ų47.41%0.0126%0.26CS..SBendtrans-126.5-178.5-179.400000113.1H280 D320 D321H280-G302 VanDerWaalsContact CA-O 3.31Å; H280-G302 WeakPolarHBondContact CA-O 3.43Å; H280-G302 VanDerWaalsContact CB-O 3.29Å; H280-G302 WeakPolarHBondContact CB-O 3.45Å; H280-G302 WeakPolarHBondContact ND1-CA 3.19Å; H280-G302 PolarHBondContact ND1-O 2.87Å; G302-D320 PolarHBondContact N-OD2 3.48Å; G302-D320 VanDerWaalsContact N-OD2 3.08Å; G302-D321 WeakPolarHBondContact CA-OD1 3.23Å
303R95.6Very high93.2Very high109 Ų10943 Ų4341%0.41124%0.241SC..  trans-58.7134.6173-68.3-176.2-74169.92108.7L261 S278 H280 L305 D320 D321L261-R303 HydrophobicContact CD1-CB 3.87Å; L261-R303 HydrophobicContact CD1-CG 4.45Å; S278-R303 WeakPolarHBondContact O-CG 3.28Å; H280-R303 PolarHBondContact ND1-N 3.28Å; R303-L305 HydrophobicContact CB-CD2 4.38Å; R303-L305 PolarHBondContact O-N 3.22Å; R303-D320 CarbonylContact O-C 3.34Å; R303-D320 WeakPolarHBondContact O-CA 3.47Å; R303-D320 WeakPolarHBondContact O-CB 3.29Å; R303-D321 HydrophobicContact CB-CB 4.19Å; R303-D321 IonicContact CZ-OD2 2.84Å; R303-D321 VanDerWaalsContact CZ-OD2 3.29Å; R303-D321 PolarHBondContact N-OD1 3.24Å; R303-D321 IonicContact NE-OD2 3.78Å; R303-D321 PolarHBondContact NE-OD2 2.96Å; R303-D321 IonicContact NH2-OD2 3.56Å; R303-D321 PolarHBondContact NH2-OD2 3.03Å; R303-D321 PolarHBondContact O-N 2.93Å; R303-D321 VanDerWaalsContact O-N 3.09Å
304V96.9Very high93.1Very high0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-83.2111.2-179.1-168.90000108L261 C262 N277 L282 L300 L307 A318L261-V304 VanDerWaalsContact CB-O 3.29Å; L261-V304 WeakPolarHBondContact CB-O 3.47Å; C262-V304 PolarHBondContact SG-O 3.28Å; N277-V304 PolarHBondContact O-N 3.33Å; N277-V304 VanDerWaalsContact O-N 3.17Å; L282-V304 HydrophobicContact CD1-CG1 4.5Å; L300-V304 HydrophobicContact CB-CG2 4.38Å; L300-V304 HydrophobicContact CD1-CG2 4.03Å; L300-V304 HydrophobicContact CD2-CG1 4.42Å; L300-V304 HydrophobicContact CD2-CG2 4.09Å; L300-V304 HydrophobicContact CG-CG2 4.38Å; V304-L307 HydrophobicContact CG1-CD2 4.02Å; V304-L307 HydrophobicContact CG1-CG 4.44Å; V304-A318 HydrophobicContact CG1-CB 4.31Å
305L95.8Very high93.3Very high23 Ų2339 Ų3912%0.1222%0.218CC..EExtended strand (participates in β ladder)trans-102.8-27.1-172.9-64.7-178000113.4L261 C262 R303 G319 D321 I351L261-L305 HydrophobicContact CD1-CD2 3.88Å; C262-L305 WeakPolarHBondContact CB-O 3.21Å; R303-L305 HydrophobicContact CB-CD2 4.38Å; R303-L305 PolarHBondContact O-N 3.22Å; L305-G319 PolarHBondContact N-O 2.88Å; L305-D321 HydrophobicContact CD1-CB 3.73Å; L305-D321 HydrophobicContact CG-CB 4.2Å; L305-I351 WeakPolarHBondContact CB-O 3.32Å
306S95.1Very high93.6Very high6 Ų637.1 Ų37.14%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-147.3145.7-173.852.60000111.8A318 G319 I351 I354S306-A318 VanDerWaalsContact O-CA 3.31Å; S306-A318 WeakPolarHBondContact O-CA 3.26Å; S306-G319 PolarHBondContact O-N 3.37Å; S306-I351 PolarHBondContact OG-O 2.96Å; S306-I351 VanDerWaalsContact OG-O 3.05Å; S306-I354 WeakPolarHBondContact OG-CG1 3.25Å
307L96.9Very high93.9Very high17 Ų1737.3 Ų37.39%0.08920%0.198CC..EExtended strand (participates in β ladder)trans-136.4141.1179.9-65.8172.3000109.7T264 V274 L282 V304 L316 W317 A318T264-L307 HydrophobicContact CG2-CB 3.75Å; T264-L307 HydrophobicContact CG2-CD1 4.32Å; V274-L307 HydrophobicContact CB-CD1 4.44Å; V274-L307 HydrophobicContact CG1-CD1 4.18Å; L282-L307 HydrophobicContact CD1-CD2 3.6Å; L282-L307 HydrophobicContact CG-CD2 4.32Å; V304-L307 HydrophobicContact CG1-CD2 4.02Å; V304-L307 HydrophobicContact CG1-CG 4.44Å; L307-L316 HydrophobicContact CB-CD1 4.32Å; L307-L316 HydrophobicContact CD2-CD1 4.29Å; L307-L316 HydrophobicContact CD2-CD2 4.37Å; L307-W317 WeakPolarHBondContact CA-O 3.27Å; L307-A318 HydrophobicContact CD2-CB 3.53Å
308S95.8Very high94.1Very high18 Ų1834.1 Ų34.113%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-153.3132.1172.1-159.40000111W317 I354 A356S308-W317 PolarHBondContact N-O 2.84Å; S308-W317 PolarHBondContact O-N 3.4Å; S308-I354 WeakPolarHBondContact CB-O 3.3Å; S308-A356 PolarHBondContact OG-N 3.06Å
309F94.6Very high94.1Very high16 Ų1633 Ų337%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-89.7151.1172.5-84.9-78.5000111.3T264 F265 Q266 P267 V274 I315 L316 F330 A356T264-F309 HydrophobicContact CG2-CD2 3.7Å; T264-F309 HydrophobicContact CG2-CE2 3.73Å; F265-F309 WeakPolarHBondContact O-CD2 3.5Å; Q266-F309 HydrophobicContact CB-CE2 4.26Å; Q266-F309 HydrophobicContact CB-CZ 4.28Å; Q266-F309 HydrophobicContact CG-CE1 4.25Å; Q266-F309 HydrophobicContact CG-CE2 4.38Å; Q266-F309 HydrophobicContact CG-CZ 4Å; P267-F309 HydrophobicContact CG-CB 4.08Å; P267-F309 HydrophobicContact CG-CG 4.49Å; V274-F309 HydrophobicContact CB-CE2 4.44Å; V274-F309 HydrophobicContact CG2-CE2 3.75Å; V274-F309 HydrophobicContact CG2-CZ 3.66Å; F309-I315 WeakPolarHBondContact CA-O 3.43Å; F309-L316 HydrophobicContact CD1-CB 3.99Å; F309-L316 HydrophobicContact CD1-CD1 4.22Å; F309-L316 HydrophobicContact CD2-CD1 3.84Å; F309-L316 HydrophobicContact CE1-CB 3.74Å; F309-L316 HydrophobicContact CE1-CD1 4.19Å; F309-L316 HydrophobicContact CE1-CG 4.44Å; F309-L316 HydrophobicContact CE2-CD1 3.8Å; F309-L316 HydrophobicContact CG-CD1 4.06Å; F309-L316 HydrophobicContact CZ-CB 4.18Å; F309-L316 HydrophobicContact CZ-CD1 3.98Å; F309-L316 HydrophobicContact CZ-CD2 4.41Å; F309-L316 HydrophobicContact CZ-CG 4.42Å; F309-F330 HydrophobicContact CE1-CB 4.04Å; F309-F330 HydrophobicContact CE1-CD2 4.16Å; F309-F330 AromaticContact CE1-CG 4Å; F309-F330 HydrophobicContact CE1-CG 4Å; F309-F330 HydrophobicContact CZ-CD2 4.11Å; F309-F330 HydrophobicContact CZ-CE2 4.4Å; F309-F330 HydrophobicContact CZ-CG 4.37Å; F309-A356 WeakPolarHBondContact O-CB 3.27Å
310D91.8Very high94.2Very high23 Ų2327.6 Ų27.612%0.12315%0.145CC..  trans-65.3162.9159.768.3-23.5000111.1G313 R314 I315 W317D310-G313 WeakPolarHBondContact O-CA 3.39Å; D310-G313 PolarHBondContact O-N 3.46Å; D310-G313 WeakPolarHBondContact OD1-CA 3.32Å; D310-G313 PolarHBondContact OD1-N 3.42Å; D310-R314 PolarHBondContact OD1-N 3.4Å; D310-I315 HydrophobicContact CB-CB 4.4Å; D310-I315 VanDerWaalsContact CG-N 3.34Å; D310-I315 PolarHBondContact N-O 3.04Å; D310-I315 PolarHBondContact OD1-N 2.88Å; D310-I315 VanDerWaalsContact OD1-O 3.12Å; D310-I315 PolarHBondContact OD2-N 3.4Å; D310-W317 HydrophobicContact CB-CH2 3.88Å; D310-W317 HydrophobicContact CB-CZ3 3.72Å
311A86.4Confident94.2Very high61 Ų6128.4 Ų28.450%0.50415%0.15SC..THydrogen-bonded Turntrans-58.2-40.4-177.200000113.7G313A311-G313 VanDerWaalsContact C-N 3.27Å; A311-G313 PolarHBondContact O-N 3.46Å
312P87.8Confident94.2Very high79 Ų7932.7 Ų32.751%0.51316%0.158SC..THydrogen-bonded Turntrans-71.4-17.5171.9-19.633.4000114.6M268M268-P312 WeakPolarHBondContact CG-O 3.24Å
313G90.2Very high94.2Very high0 Ų032.6 Ų32.60%016%0.157CC..SBendtrans73.224.5-176.200000115.1Q266 D310 A311Q266-G313 PolarHBondContact NE2-O 2.98Å; D310-G313 WeakPolarHBondContact O-CA 3.39Å; D310-G313 PolarHBondContact O-N 3.46Å; D310-G313 WeakPolarHBondContact OD1-CA 3.32Å; D310-G313 PolarHBondContact OD1-N 3.42Å; A311-G313 VanDerWaalsContact C-N 3.27Å; A311-G313 PolarHBondContact O-N 3.46Å
314R91.9Very high94.2Very high138 Ų13827.8 Ų27.852%0.52114%0.14SC..SBendtrans-84.3-32.5174.7-177.4178.8180-177.50.8112.1D310 F330D310-R314 PolarHBondContact OD1-N 3.4Å; R314-F330 PolarHBondContact O-N 2.86Å
315I94.6Very high94.2Very high8 Ų827.9 Ų27.94%0.04114%0.141CC..EExtended strand (participates in β ladder)trans-116.7127.5-178.2-53.8174.2000108.6F309 D310 W317 F328 L329 N386F309-I315 WeakPolarHBondContact CA-O 3.43Å; D310-I315 HydrophobicContact CB-CB 4.4Å; D310-I315 VanDerWaalsContact CG-N 3.34Å; D310-I315 PolarHBondContact N-O 3.04Å; D310-I315 PolarHBondContact OD1-N 2.88Å; D310-I315 VanDerWaalsContact OD1-O 3.12Å; D310-I315 PolarHBondContact OD2-N 3.4Å; I315-W317 HydrophobicContact CB-CH2 4.08Å; I315-W317 HydrophobicContact CB-CZ2 4.22Å; I315-W317 HydrophobicContact CB-CZ3 4.41Å; I315-W317 HydrophobicContact CD1-CZ2 4.42Å; I315-W317 HydrophobicContact CG2-CD2 4.06Å; I315-W317 HydrophobicContact CG2-CE3 4.34Å; I315-W317 HydrophobicContact CG2-CH2 3.92Å; I315-W317 HydrophobicContact CG2-CZ2 3.59Å; I315-W317 HydrophobicContact CG2-CZ3 4.28Å; I315-F328 WeakPolarHBondContact CA-O 3.46Å; I315-L329 HydrophobicContact CG1-CD2 4.17Å; I315-N386 WeakPolarHBondContact CD1-O 3.41Å
316L96.6Very high94.2Very high0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-108.3127.1169.5174.570.5000109T264 V274 L282 L307 F309 S327 F328 L337T264-L316 HydrophobicContact CG2-CD1 4.23Å; V274-L316 HydrophobicContact CB-CD2 4.35Å; V274-L316 HydrophobicContact CG1-CD2 3.74Å; V274-L316 HydrophobicContact CG2-CD2 4.34Å; L282-L316 HydrophobicContact CD1-CD2 4.09Å; L282-L316 HydrophobicContact CD2-CD2 4.12Å; L307-L316 HydrophobicContact CB-CD1 4.32Å; L307-L316 HydrophobicContact CD2-CD1 4.29Å; L307-L316 HydrophobicContact CD2-CD2 4.37Å; F309-L316 HydrophobicContact CD1-CB 3.99Å; F309-L316 HydrophobicContact CD1-CD1 4.22Å; F309-L316 HydrophobicContact CD2-CD1 3.84Å; F309-L316 HydrophobicContact CE1-CB 3.74Å; F309-L316 HydrophobicContact CE1-CD1 4.19Å; F309-L316 HydrophobicContact CE1-CG 4.44Å; F309-L316 HydrophobicContact CE2-CD1 3.8Å; F309-L316 HydrophobicContact CG-CD1 4.06Å; F309-L316 HydrophobicContact CZ-CB 4.18Å; F309-L316 HydrophobicContact CZ-CD1 3.98Å; F309-L316 HydrophobicContact CZ-CD2 4.41Å; F309-L316 HydrophobicContact CZ-CG 4.42Å; L316-S327 CarbonylContact O-C 3.56Å; L316-S327 WeakPolarHBondContact O-CA 3.3Å; L316-F328 HydrophobicContact CB-CB 4.3Å; L316-F328 PolarHBondContact N-O 2.84Å; L316-F328 PolarHBondContact O-N 2.89Å; L316-L337 HydrophobicContact CD2-CD1 4.04Å
317W97.3Very high94.3Very high5 Ų526.6 Ų26.62%0.01913%0.134CC..EExtended strand (participates in β ladder)trans-98.4138.1166.1-64.2-83.9000110.5L307 S308 D310 I315 I325 F326 I354 A356 L369 V383 G388L307-W317 WeakPolarHBondContact CA-O 3.27Å; S308-W317 PolarHBondContact N-O 2.84Å; S308-W317 PolarHBondContact O-N 3.4Å; D310-W317 HydrophobicContact CB-CH2 3.88Å; D310-W317 HydrophobicContact CB-CZ3 3.72Å; I315-W317 HydrophobicContact CB-CH2 4.08Å; I315-W317 HydrophobicContact CB-CZ2 4.22Å; I315-W317 HydrophobicContact CB-CZ3 4.41Å; I315-W317 HydrophobicContact CD1-CZ2 4.42Å; I315-W317 HydrophobicContact CG2-CD2 4.06Å; I315-W317 HydrophobicContact CG2-CE3 4.34Å; I315-W317 HydrophobicContact CG2-CH2 3.92Å; I315-W317 HydrophobicContact CG2-CZ2 3.59Å; I315-W317 HydrophobicContact CG2-CZ3 4.28Å; W317-I325 HydrophobicContact CB-CG2 4.33Å; W317-F326 CarbonylContact C-O 3.51Å; W317-F326 VanDerWaalsContact CA-O 3.32Å; W317-F326 WeakPolarHBondContact CA-O 3.29Å; W317-I354 HydrophobicContact CB-CD1 4.38Å; W317-I354 HydrophobicContact CB-CG2 4.17Å; W317-A356 HydrophobicContact CE3-CB 3.78Å; W317-A356 HydrophobicContact CH2-CB 4.49Å; W317-A356 HydrophobicContact CZ3-CB 3.5Å; W317-A356 VanDerWaalsContact CZ3-CB 3.5Å; W317-L369 HydrophobicContact CB-CD1 4.45Å; W317-L369 HydrophobicContact CB-CD2 4.35Å; W317-L369 HydrophobicContact CD2-CD1 3.76Å; W317-L369 HydrophobicContact CD2-CD2 4.29Å; W317-L369 HydrophobicContact CE3-CD1 3.68Å; W317-L369 HydrophobicContact CG-CD1 4.12Å; W317-L369 HydrophobicContact CG-CD2 3.96Å; W317-L369 HydrophobicContact CZ3-CD1 4.19Å; W317-V383 HydrophobicContact CH2-CG1 4.43Å; W317-V383 HydrophobicContact CH2-CG2 3.96Å; W317-V383 HydrophobicContact CZ2-CB 4.4Å; W317-V383 HydrophobicContact CZ2-CG1 3.85Å; W317-V383 HydrophobicContact CZ2-CG2 3.6Å; W317-G388 PolarHBondContact NE1-O 3.3Å
318A97.5Very high94.3Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-129.1128.817500000110.4L282 L300 V304 S306 L307 I325 F326 F328L282-A318 HydrophobicContact CD1-CB 3.59Å; L300-A318 HydrophobicContact CD2-CB 3.87Å; V304-A318 HydrophobicContact CG1-CB 4.31Å; S306-A318 VanDerWaalsContact O-CA 3.31Å; S306-A318 WeakPolarHBondContact O-CA 3.26Å; L307-A318 HydrophobicContact CD2-CB 3.53Å; A318-I325 WeakPolarHBondContact O-CA 3.47Å; A318-F326 PolarHBondContact N-O 2.78Å; A318-F326 PolarHBondContact O-N 2.87Å; A318-F328 HydrophobicContact CB-CD2 4.41Å; A318-F328 HydrophobicContact CB-CE2 3.92Å
319G96.4Very high94.3Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-100.4140.7176.700000111.2L305 S306 I354L305-G319 PolarHBondContact N-O 2.88Å; S306-G319 PolarHBondContact O-N 3.37Å; G319-I354 VanDerWaalsContact N-CD1 3.33Å
320D95.6Very high94.4Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-111.9168.3174.978.610.2000114.4L300 T301 G302 R303 R322 G323 S324 I351L300-D320 HydrophobicContact CD2-CB 4.34Å; T301-D320 PolarHBondContact OG1-OD2 3.16Å; G302-D320 PolarHBondContact N-OD2 3.48Å; G302-D320 VanDerWaalsContact N-OD2 3.08Å; R303-D320 CarbonylContact O-C 3.34Å; R303-D320 WeakPolarHBondContact O-CA 3.47Å; R303-D320 WeakPolarHBondContact O-CB 3.29Å; D320-R322 PolarHBondContact O-N 2.81Å; D320-R322 WeakPolarHBondContact OD1-CA 3.33Å; D320-R322 PolarHBondContact OD1-N 3.3Å; D320-G323 PolarHBondContact O-N 2.62Å; D320-G323 PolarHBondContact OD1-N 2.89Å; D320-S324 PolarHBondContact N-O 3.32Å; D320-S324 WeakPolarHBondContact OD1-CA 3.4Å; D320-S324 WeakPolarHBondContact OD1-CB 3.33Å; D320-S324 PolarHBondContact OD1-N 3.49Å; D320-I351 PolarHBondContact O-N 2.95Å
321D94.6Very high94.5Very high26 Ų2628.9 Ų28.914%0.13915%0.145CC..THydrogen-bonded Turntrans-74.9-4.4176.474.6-31.5000114.2G302 R303 L305G302-D321 WeakPolarHBondContact CA-OD1 3.23Å; R303-D321 HydrophobicContact CB-CB 4.19Å; R303-D321 IonicContact CZ-OD2 2.84Å; R303-D321 VanDerWaalsContact CZ-OD2 3.29Å; R303-D321 PolarHBondContact N-OD1 3.24Å; R303-D321 IonicContact NE-OD2 3.78Å; R303-D321 PolarHBondContact NE-OD2 2.96Å; R303-D321 IonicContact NH2-OD2 3.56Å; R303-D321 PolarHBondContact NH2-OD2 3.03Å; R303-D321 PolarHBondContact O-N 2.93Å; R303-D321 VanDerWaalsContact O-N 3.09Å; L305-D321 HydrophobicContact CD1-CB 3.73Å; L305-D321 HydrophobicContact CG-CB 4.2Å
322R93.9Very high94.5Very high156 Ų15629.1 Ų29.159%0.58914%0.136SC*.THydrogen-bonded Turntrans-96.9-0177-60.2-67.7-72.3-174-3.5112.2D320 G348D320-R322 PolarHBondContact O-N 2.81Å; D320-R322 WeakPolarHBondContact OD1-CA 3.33Å; D320-R322 PolarHBondContact OD1-N 3.3Å; R322-G348 PolarHBondContact O-N 3.26Å; R322-G348 VanDerWaalsContact O-N 3.08Å
323G92.8Very high94.6Very high0 Ų030 Ų300%015%0.15CC..SBendtrans87.217.8177.400000115D320 V345 S346 S349D320-G323 PolarHBondContact O-N 2.62Å; D320-G323 PolarHBondContact OD1-N 2.89Å; G323-V345 PolarHBondContact O-N 2.72Å; G323-S346 WeakPolarHBondContact CA-O 3.34Å; G323-S349 WeakPolarHBondContact CA-O 3.42Å; G323-S349 PolarHBondContact N-O 3.09Å; G323-S349 VanDerWaalsContact N-O 3.13Å
324S95.7Very high94.5Very high7 Ų733.5 Ų33.55%0.04917%0.172CC..EExtended strand (participates in β ladder)trans-99.6140.3175.3-59.80000111.4D320 L343D320-S324 PolarHBondContact N-O 3.32Å; D320-S324 WeakPolarHBondContact OD1-CA 3.4Å; D320-S324 WeakPolarHBondContact OD1-CB 3.33Å; D320-S324 PolarHBondContact OD1-N 3.49Å; S324-L343 CarbonylContact C-O 3.54Å; S324-L343 WeakPolarHBondContact CA-O 3.48Å
325I96.8Very high94.4Very high2 Ų227 Ų271%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-108.8128.9166.9-59.3172.9000107.7W317 A318 R342 L343 V345 I351 I354 V371 L390W317-I325 HydrophobicContact CB-CG2 4.33Å; A318-I325 WeakPolarHBondContact O-CA 3.47Å; I325-R342 WeakPolarHBondContact O-CA 3.46Å; I325-L343 PolarHBondContact N-O 3.02Å; I325-L343 PolarHBondContact O-N 2.84Å; I325-V345 HydrophobicContact CD1-CG2 3.61Å; I325-V345 HydrophobicContact CG1-CG2 3.99Å; I325-I351 HydrophobicContact CG1-CG1 4.19Å; I325-I351 HydrophobicContact CG1-CG2 4.24Å; I325-I354 HydrophobicContact CG1-CD1 4.28Å; I325-I354 HydrophobicContact CG2-CD1 4.15Å; I325-V371 HydrophobicContact CD1-CB 4.35Å; I325-V371 HydrophobicContact CD1-CG1 3.75Å; I325-V371 HydrophobicContact CD1-CG2 3.65Å; I325-L390 HydrophobicContact CB-CD1 4.39Å; I325-L390 HydrophobicContact CD1-CD1 4.17Å; I325-L390 HydrophobicContact CG2-CD1 3.86Å
326F97Very high94.4Very high1 Ų131.7 Ų31.70%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-109.3134.3174.6-66.7-90.3000109.5L300 T301 W317 A318 F328 K341 R342L300-F326 HydrophobicContact CB-CD2 4.31Å; L300-F326 HydrophobicContact CB-CE2 4.09Å; L300-F326 HydrophobicContact CD2-CB 4.41Å; L300-F326 HydrophobicContact CD2-CD2 3.42Å; L300-F326 VanDerWaalsContact CD2-CD2 3.42Å; L300-F326 HydrophobicContact CD2-CE2 3.96Å; L300-F326 HydrophobicContact CD2-CG 4.15Å; L300-F326 HydrophobicContact CG-CD2 3.67Å; L300-F326 HydrophobicContact CG-CE2 3.96Å; L300-F326 HydrophobicContact CG-CG 4.14Å; T301-F326 HydrophobicContact CG2-CZ 4.1Å; T301-F326 WeakPolarHBondContact OG1-CE2 3.19Å; T301-F326 VanDerWaalsContact OG1-CZ 3.29Å; T301-F326 WeakPolarHBondContact OG1-CZ 3.41Å; W317-F326 CarbonylContact C-O 3.51Å; W317-F326 VanDerWaalsContact CA-O 3.32Å; W317-F326 WeakPolarHBondContact CA-O 3.29Å; A318-F326 PolarHBondContact N-O 2.78Å; A318-F326 PolarHBondContact O-N 2.87Å; F326-F328 HydrophobicContact CB-CD2 4.28Å; F326-F328 HydrophobicContact CB-CE2 3.5Å; F326-F328 VanDerWaalsContact CB-CE2 3.5Å; F326-F328 HydrophobicContact CB-CZ 3.9Å; F326-K341 WeakPolarHBondContact CA-O 3.49Å; F326-R342 HydrophobicContact CD1-CB 3.88Å; F326-R342 HydrophobicContact CD1-CG 3.87Å; F326-R342 HydrophobicContact CE1-CB 3.8Å; F326-R342 HydrophobicContact CE1-CG 3.48Å; F326-R342 VanDerWaalsContact CE1-CG 3.48Å; F326-R342 HydrophobicContact CE2-CG 4.42Å; F326-R342 VanDerWaalsContact CZ-CD 3.41Å; F326-R342 HydrophobicContact CZ-CG 3.8Å
327S96.5Very high94.4Very high2 Ų232.1 Ų32.11%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-96.9143.1165.368.40000110.1L316 A340 K341 E387L316-S327 CarbonylContact O-C 3.56Å; L316-S327 WeakPolarHBondContact O-CA 3.3Å; S327-A340 PolarHBondContact O-N 3.44Å; S327-K341 PolarHBondContact N-O 3.36Å; S327-K341 WeakPolarHBondContact OG-CB 3.33Å; S327-K341 PolarHBondContact OG-N 3.19Å; S327-E387 WeakPolarHBondContact CB-O 3.46Å; S327-E387 PolarHBondContact OG-O 2.7Å
328F96.7Very high94.3Very high0 Ų034.8 Ų34.80%019%0.187CC..EExtended strand (participates in β ladder)trans-130.8136176.1-63.2-89.8000109.8L282 S298 L300 I315 L316 A318 F326 L337 T338 K339L282-F328 HydrophobicContact CD1-CD2 4.35Å; L282-F328 HydrophobicContact CD1-CE2 3.94Å; L282-F328 HydrophobicContact CD1-CZ 4.43Å; S298-F328 WeakPolarHBondContact OG-CE1 3.29Å; L300-F328 HydrophobicContact CD1-CE2 4.19Å; L300-F328 HydrophobicContact CD1-CZ 3.78Å; L300-F328 HydrophobicContact CG-CZ 4.36Å; I315-F328 WeakPolarHBondContact CA-O 3.46Å; L316-F328 HydrophobicContact CB-CB 4.3Å; L316-F328 PolarHBondContact N-O 2.84Å; L316-F328 PolarHBondContact O-N 2.89Å; A318-F328 HydrophobicContact CB-CD2 4.41Å; A318-F328 HydrophobicContact CB-CE2 3.92Å; F326-F328 HydrophobicContact CB-CD2 4.28Å; F326-F328 HydrophobicContact CB-CE2 3.5Å; F326-F328 VanDerWaalsContact CB-CE2 3.5Å; F326-F328 HydrophobicContact CB-CZ 3.9Å; F328-L337 HydrophobicContact CB-CD1 3.48Å; F328-L337 VanDerWaalsContact CB-CD1 3.48Å; F328-L337 HydrophobicContact CB-CD2 4.1Å; F328-L337 HydrophobicContact CB-CG 3.68Å; F328-L337 HydrophobicContact CD1-CD1 4.44Å; F328-L337 HydrophobicContact CD1-CD2 3.57Å; F328-L337 HydrophobicContact CD1-CG 3.7Å; F328-L337 HydrophobicContact CD2-CD2 4.42Å; F328-L337 HydrophobicContact CE1-CD2 4.07Å; F328-L337 HydrophobicContact CG-CD1 4.11Å; F328-L337 HydrophobicContact CG-CD2 3.78Å; F328-L337 HydrophobicContact CG-CG 3.87Å; F328-T338 CarbonylContact C-O 3.58Å; F328-T338 WeakPolarHBondContact CA-O 3.41Å; F328-K339 HydrophobicContact CD1-CB 3.96Å; F328-K339 HydrophobicContact CD1-CG 4.25Å; F328-K339 HydrophobicContact CE1-CB 3.76Å; F328-K339 HydrophobicContact CE1-CD 4.25Å; F328-K339 HydrophobicContact CE1-CG 3.73Å; F328-K339 HydrophobicContact CZ-CG 4.34Å
329L96.3Very high94.2Very high45 Ų4539.6 Ų39.624%0.23621%0.208CC..EExtended strand (participates in β ladder)trans-86.1124.1168.2-58.9173.8000108.6I315 T338 A340 N386I315-L329 HydrophobicContact CG1-CD2 4.17Å; L329-T338 WeakPolarHBondContact CB-OG1 3.38Å; L329-T338 PolarHBondContact N-O 3.09Å; L329-T338 PolarHBondContact O-N 3.41Å; L329-T338 PolarHBondContact O-OG1 2.83Å; L329-T338 VanDerWaalsContact O-OG1 3.1Å; L329-A340 HydrophobicContact CG-CB 4.2Å; L329-N386 WeakPolarHBondContact CD2-O 3.3Å
330F95.9Very high94Very high8 Ų841.3 Ų41.34%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-100.8121.8179.8-171.4-90.1000109.9Q266 L272 V274 V284 F309 R314 M332 L337Q266-F330 HydrophobicContact CG-CD1 4.16Å; Q266-F330 HydrophobicContact CG-CE1 3.67Å; Q266-F330 HydrophobicContact CG-CZ 3.98Å; L272-F330 HydrophobicContact CD1-CE1 4.27Å; L272-F330 HydrophobicContact CD1-CZ 3.77Å; V274-F330 HydrophobicContact CG2-CE2 4.46Å; V284-F330 HydrophobicContact CG1-CE2 3.96Å; V284-F330 HydrophobicContact CG1-CZ 4.27Å; V284-F330 HydrophobicContact CG2-CD2 4.46Å; V284-F330 HydrophobicContact CG2-CE2 3.8Å; F309-F330 HydrophobicContact CE1-CB 4.04Å; F309-F330 HydrophobicContact CE1-CD2 4.16Å; F309-F330 AromaticContact CE1-CG 4Å; F309-F330 HydrophobicContact CE1-CG 4Å; F309-F330 HydrophobicContact CZ-CD2 4.11Å; F309-F330 HydrophobicContact CZ-CE2 4.4Å; F309-F330 HydrophobicContact CZ-CG 4.37Å; R314-F330 PolarHBondContact O-N 2.86Å; F330-M332 HydrophobicContact CD1-CG 4.46Å; F330-M332 HydrophobicContact CD1-SD 3.59Å; F330-M332 VanDerWaalsContact CD1-SD 3.59Å; F330-M332 HydrophobicContact CE1-SD 3.63Å; F330-L337 HydrophobicContact CB-CD1 4.44Å; F330-L337 HydrophobicContact CD2-CD1 3.92Å
331D93.4Very high94Very high69 Ų6945.4 Ų45.437%0.36924%0.24SC..  trans-87.3114171.5178.3-0.4000109.7A333 T334 G335 K336D331-A333 VanDerWaalsContact C-N 3.34Å; D331-A333 PolarHBondContact O-N 3.15Å; D331-A333 PolarHBondContact OD1-N 3.25Å; D331-T334 WeakPolarHBondContact CB-OG1 3.4Å; D331-T334 WeakPolarHBondContact OD2-CG2 3.5Å; D331-T334 PolarHBondContact OD2-OG1 2.73Å; D331-G335 WeakPolarHBondContact O-CA 3.34Å; D331-G335 PolarHBondContact O-N 3.24Å; D331-K336 HydrophobicContact CB-CB 4.25Å; D331-K336 PolarHBondContact N-O 2.96Å
332M88Confident94Very high66 Ų6651.5 Ų51.533%0.32526%0.261SS..THydrogen-bonded Turntrans-62.7-35.9-177.9-71-56.2-59.600114.5Q266 M268 N269 F330Q266-M332 VanDerWaalsContact CD-CE 3.43Å; Q266-M332 HydrophobicContact CG-CE 4.39Å; Q266-M332 HydrophobicContact CG-SD 4.11Å; Q266-M332 VanDerWaalsContact NE2-CE 3.29Å; Q266-M332 PolarHBondContact NE2-SD 2.77Å; M268-M332 HydrophobicContact CB-CE 3.89Å; N269-M332 HydrophobicContact CB-CE 3.83Å; F330-M332 HydrophobicContact CD1-CG 4.46Å; F330-M332 HydrophobicContact CD1-SD 3.59Å; F330-M332 VanDerWaalsContact CD1-SD 3.59Å; F330-M332 HydrophobicContact CE1-SD 3.63Å
333A88.4Confident94Very high96 Ų9646.7 Ų46.779%0.79325%0.246SC*.THydrogen-bonded Turntrans-77.2-38.8-174.500000111.2D331D331-A333 VanDerWaalsContact C-N 3.34Å; D331-A333 PolarHBondContact O-N 3.15Å; D331-A333 PolarHBondContact OD1-N 3.25Å
334T89.6Confident94.1Very high75 Ų7549.5 Ų49.546%0.4626%0.263SS..THydrogen-bonded Turntrans-102.3-17.1-174.866.90000113.6V293 D331 K336V293-T334 WeakPolarHBondContact CG1-O 3.35Å; D331-T334 WeakPolarHBondContact CB-OG1 3.4Å; D331-T334 WeakPolarHBondContact OD2-CG2 3.5Å; D331-T334 PolarHBondContact OD2-OG1 2.73Å; T334-K336 PolarHBondContact O-N 2.87Å; T334-K336 WeakPolarHBondContact OG1-CB 3.31Å; T334-K336 PolarHBondContact OG1-N 2.71Å
335G89.9Confident94Very high2 Ų250.7 Ų50.72%0.02127%0.27CS..  trans64.620-16900000113.4G296 D331G296-G335 WeakPolarHBondContact CA-O 3.44Å; D331-G335 WeakPolarHBondContact O-CA 3.34Å; D331-G335 PolarHBondContact O-N 3.24Å
336K94.1Very high93.5Very high105 Ų10552.4 Ų52.446%0.45728%0.283SS..  trans-73.8139.8177.2-174.4-177.3179.1-175.90110.2G295 D331 T334 T338G295-K336 WeakPolarHBondContact O-CG 3.13Å; D331-K336 HydrophobicContact CB-CB 4.25Å; D331-K336 PolarHBondContact N-O 2.96Å; T334-K336 PolarHBondContact O-N 2.87Å; T334-K336 WeakPolarHBondContact OG1-CB 3.31Å; T334-K336 PolarHBondContact OG1-N 2.71Å; K336-T338 HydrophobicContact CD-CG2 4.31Å; K336-T338 HydrophobicContact CG-CG2 4.37Å
337L95.4Very high93.1Very high10 Ų1060.7 Ų60.75%0.05232%0.321CS..EExtended strand (participates in β ladder)trans-111.2125.3176.7-16477.8000110L282 G295 L316 F328 F330L282-L337 HydrophobicContact CD2-CD2 3.21Å; L282-L337 HydrophobicContact CG-CD2 4.43Å; G295-L337 PolarHBondContact O-N 2.92Å; L316-L337 HydrophobicContact CD2-CD1 4.04Å; F328-L337 HydrophobicContact CB-CD1 3.48Å; F328-L337 VanDerWaalsContact CB-CD1 3.48Å; F328-L337 HydrophobicContact CB-CD2 4.1Å; F328-L337 HydrophobicContact CB-CG 3.68Å; F328-L337 HydrophobicContact CD1-CD1 4.44Å; F328-L337 HydrophobicContact CD1-CD2 3.57Å; F328-L337 HydrophobicContact CD1-CG 3.7Å; F328-L337 HydrophobicContact CD2-CD2 4.42Å; F328-L337 HydrophobicContact CE1-CD2 4.07Å; F328-L337 HydrophobicContact CG-CD1 4.11Å; F328-L337 HydrophobicContact CG-CD2 3.78Å; F328-L337 HydrophobicContact CG-CG 3.87Å; F330-L337 HydrophobicContact CB-CD1 4.44Å; F330-L337 HydrophobicContact CD2-CD1 3.92Å
338T95.3Very high92.5Very high60 Ų6063.2 Ų63.237%0.36835%0.347SS..EExtended strand (participates in β ladder)trans-119.3125178.352.50000110.4F328 L329 K336 A340F328-T338 CarbonylContact C-O 3.58Å; F328-T338 WeakPolarHBondContact CA-O 3.41Å; L329-T338 WeakPolarHBondContact CB-OG1 3.38Å; L329-T338 PolarHBondContact N-O 3.09Å; L329-T338 PolarHBondContact O-N 3.41Å; L329-T338 PolarHBondContact O-OG1 2.83Å; L329-T338 VanDerWaalsContact O-OG1 3.1Å; K336-T338 HydrophobicContact CD-CG2 4.31Å; K336-T338 HydrophobicContact CG-CG2 4.37Å; T338-A340 PolarHBondContact O-N 2.76Å
339K95.1Very high92.2Very high102 Ų10264.3 Ų64.344%0.44336%0.355SS..EExtended strand (participates in β ladder)trans-70.9126.8-178.8-167.3171.9-170.6167.60109.4K299 F328K299-K339 PolarHBondContact O-NZ 2.89Å; F328-K339 HydrophobicContact CD1-CB 3.96Å; F328-K339 HydrophobicContact CD1-CG 4.25Å; F328-K339 HydrophobicContact CE1-CB 3.76Å; F328-K339 HydrophobicContact CE1-CD 4.25Å; F328-K339 HydrophobicContact CE1-CG 3.73Å; F328-K339 HydrophobicContact CZ-CG 4.34Å
340A93.5Very high92Very high36 Ų3663.6 Ų63.630%0.29835%0.354SS..EExtended strand (participates in β ladder)trans-108.6-84-176.400000111.6S327 L329 T338 E387S327-A340 PolarHBondContact O-N 3.44Å; L329-A340 HydrophobicContact CG-CB 4.2Å; T338-A340 PolarHBondContact O-N 2.76Å; A340-E387 HydrophobicContact CB-CB 4.48Å
341K94.9Very high91.9Very high86 Ų8663.2 Ų63.237%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-112.2155.9-177.2-56.5-62.6-171.8-155.80111.8F326 S327 E387F326-K341 WeakPolarHBondContact CA-O 3.49Å; S327-K341 PolarHBondContact N-O 3.36Å; S327-K341 WeakPolarHBondContact OG-CB 3.33Å; S327-K341 PolarHBondContact OG-N 3.19Å; K341-E387 WeakPolarHBondContact CE-OE2 3.42Å; K341-E387 HydrophobicContact CG-CB 4.43Å; K341-E387 IonicContact NZ-OE2 2.72Å; K341-E387 PolarHBondContact NZ-OE2 3.48Å
342R94.9Very high91.8Very high154 Ų15460 Ų6058%0.58134%0.335SS*.EExtended strand (participates in β ladder)trans-123.5127.7166.8-176.6-17979.5179.53.9108.7I325 F326I325-R342 WeakPolarHBondContact O-CA 3.46Å; F326-R342 HydrophobicContact CD1-CB 3.88Å; F326-R342 HydrophobicContact CD1-CG 3.87Å; F326-R342 HydrophobicContact CE1-CB 3.8Å; F326-R342 HydrophobicContact CE1-CG 3.48Å; F326-R342 VanDerWaalsContact CE1-CG 3.48Å; F326-R342 HydrophobicContact CE2-CG 4.42Å; F326-R342 VanDerWaalsContact CZ-CD 3.41Å; F326-R342 HydrophobicContact CZ-CG 3.8Å
343L94.8Very high92Very high54 Ų5456.9 Ų56.928%0.28332%0.32SS..EExtended strand (participates in β ladder)trans-112.9130.3167.317666.3000108.7S324 I325 V345 Y381 L390S324-L343 CarbonylContact C-O 3.54Å; S324-L343 WeakPolarHBondContact CA-O 3.48Å; I325-L343 PolarHBondContact N-O 3.02Å; I325-L343 PolarHBondContact O-N 2.84Å; L343-V345 HydrophobicContact CD2-CG2 4.26Å; L343-V345 HydrophobicContact CG-CG2 4.41Å; L343-Y381 HydrophobicContact CD2-CD1 4.08Å; L343-Y381 HydrophobicContact CD2-CE1 3.53Å; L343-L390 HydrophobicContact CD2-CB 3.78Å; L343-L390 HydrophobicContact CD2-CD1 4.15Å
344V94.9Very high92.3Very high59 Ų5952.9 Ų52.936%0.35829%0.285SS..EExtended strand (participates in β ladder)trans-95.9116.3168.8-176.70000107.3E347V344-E347 HydrophobicContact CG1-CG 3.92Å
345V91.6Very high92.5Very high32 Ų3250.6 Ų50.619%0.19427%0.272CS..SBendtrans-84.1-49.6-177.6175.20000110.7G323 I325 L343 I351 A373 L379G323-V345 PolarHBondContact O-N 2.72Å; I325-V345 HydrophobicContact CD1-CG2 3.61Å; I325-V345 HydrophobicContact CG1-CG2 3.99Å; L343-V345 HydrophobicContact CD2-CG2 4.26Å; L343-V345 HydrophobicContact CG-CG2 4.41Å; V345-I351 HydrophobicContact CB-CD1 4.05Å; V345-I351 HydrophobicContact CG1-CD1 4.37Å; V345-I351 HydrophobicContact CG2-CD1 4.16Å; V345-A373 HydrophobicContact CG1-CB 4.15Å; V345-L379 HydrophobicContact CG1-CD1 3.32Å
346S88.3Confident92.5Very high39 Ų3951.5 Ų51.527%0.27328%0.279SS..SBendtrans-157.9121.9178.9178.90000108.5G323 G348 S349G323-S346 WeakPolarHBondContact CA-O 3.34Å; S346-G348 PolarHBondContact O-N 2.88Å; S346-S349 PolarHBondContact O-N 2.98Å; S346-S349 PolarHBondContact OG-OG 3.06Å
347E86.6Confident92Very high175 Ų17549.5 Ų49.582%0.81827%0.269SS*.THydrogen-bonded Turntrans-63.9123.7-177-66.9-171.3168.300111.4V344 S349V344-E347 HydrophobicContact CG1-CG 3.92Å; E347-S349 VanDerWaalsContact C-N 3.31Å; E347-S349 PolarHBondContact O-N 3.02Å
348G84.3Confident90.8Very high54 Ų5451.8 Ų51.856%0.55729%0.286SS*.THydrogen-bonded Turntrans80.24.2175.900000115.4R322 S346R322-G348 PolarHBondContact O-N 3.26Å; R322-G348 VanDerWaalsContact O-N 3.08Å; S346-G348 PolarHBondContact O-N 2.88Å
349S90.8Very high89.4Confident23 Ų2349.6 Ų49.616%0.16127%0.271CS..  trans-100.9125.6173.4-46.70000110.6G323 S346 E347 V375G323-S349 WeakPolarHBondContact CA-O 3.42Å; G323-S349 PolarHBondContact N-O 3.09Å; G323-S349 VanDerWaalsContact N-O 3.13Å; S346-S349 PolarHBondContact O-N 2.98Å; S346-S349 PolarHBondContact OG-OG 3.06Å; E347-S349 VanDerWaalsContact C-N 3.31Å; E347-S349 PolarHBondContact O-N 3.02Å; S349-V375 VanDerWaalsContact OG-CG1 3.3Å; S349-V375 WeakPolarHBondContact OG-CG1 3.38Å
350S91.9Very high87.2Confident30 Ų3052.4 Ų52.421%0.2129%0.289CS..  trans-62.9139.4-178.6-60.50000113.4A373 C374S350-A373 WeakPolarHBondContact O-CA 3.24Å; S350-C374 PolarHBondContact O-N 3.05Å
351I94.3Very high85.2Confident0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-92.989.7167.2-51.5-56.3000108.9L305 S306 D320 I325 V345 I354 V371 A373L305-I351 WeakPolarHBondContact CB-O 3.32Å; S306-I351 PolarHBondContact OG-O 2.96Å; S306-I351 VanDerWaalsContact OG-O 3.05Å; D320-I351 PolarHBondContact O-N 2.95Å; I325-I351 HydrophobicContact CG1-CG1 4.19Å; I325-I351 HydrophobicContact CG1-CG2 4.24Å; V345-I351 HydrophobicContact CB-CD1 4.05Å; V345-I351 HydrophobicContact CG1-CD1 4.37Å; V345-I351 HydrophobicContact CG2-CD1 4.16Å; I351-I354 HydrophobicContact CG2-CD1 3.98Å; I351-I354 HydrophobicContact CG2-CG1 3.78Å; I351-V371 HydrophobicContact CD1-CG1 4.24Å; I351-V371 HydrophobicContact CG2-CG1 3.84Å; I351-A373 HydrophobicContact CD1-CB 3.72Å
352C91.2Very high83.1Confident1 Ų158 Ų581%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-78-28.8-171.763.90000113.9N372 H400 N404 V405C352-N372 PolarHBondContact N-O 2.99Å; C352-N372 VanDerWaalsContact N-O 3.1Å; C352-N372 WeakPolarHBondContact SG-CB 3.37Å; C352-N372 PolarHBondContact SG-O 3.11Å; C352-H400 PolarHBondContact SG-CE1 3.2Å; C352-H400 PolarHBondContact SG-NE2 2.69Å; C352-N404 HydrophobicContact CB-CB 3.89Å; C352-V405 PolarHBondContact SG-O 3.04Å
353S92.6Very high81.1Confident2 Ų254.5 Ų54.51%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-148.9144.7177.972.30000112.4N372 V405 H406S353-N372 PolarHBondContact O-N 3.41Å; S353-N372 VanDerWaalsContact OG-CB 3.28Å; S353-N372 WeakPolarHBondContact OG-CB 3.24Å; S353-N372 VanDerWaalsContact OG-CG 3.28Å; S353-N372 PolarHBondContact OG-OD1 3.03Å; S353-V405 PolarHBondContact OG-O 2.84Å; S353-H406 VanDerWaalsContact CB-ND1 3.27Å; S353-H406 WeakPolarHBondContact CB-ND1 3.5Å; S353-H406 WeakPolarHBondContact OG-CA 3.44Å
354I95.1Very high79.3Confident12 Ų1252 Ų526%0.06228%0.282CS..EExtended strand (participates in β ladder)trans-131.6131.4174.5-62.7175.1000106.6S306 S308 W317 G319 I325 I351 L369 L370S306-I354 WeakPolarHBondContact OG-CG1 3.25Å; S308-I354 WeakPolarHBondContact CB-O 3.3Å; W317-I354 HydrophobicContact CB-CD1 4.38Å; W317-I354 HydrophobicContact CB-CG2 4.17Å; G319-I354 VanDerWaalsContact N-CD1 3.33Å; I325-I354 HydrophobicContact CG1-CD1 4.28Å; I325-I354 HydrophobicContact CG2-CD1 4.15Å; I351-I354 HydrophobicContact CG2-CD1 3.98Å; I351-I354 HydrophobicContact CG2-CG1 3.78Å; I354-L369 HydrophobicContact CG2-CD1 3.41Å; I354-L369 VanDerWaalsContact CG2-CD1 3.41Å; I354-L369 HydrophobicContact CG2-CD2 3.8Å; I354-L369 HydrophobicContact CG2-CG 3.67Å; I354-L370 CarbonylContact C-O 3.47Å; I354-L370 WeakPolarHBondContact CA-O 3.41Å
355S92.9Very high77.7Confident26 Ų2658.6 Ų58.618%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-128.7119.4171.4-1790000108.2L370 S407 F409S355-L370 PolarHBondContact N-O 3.47Å; S355-L370 PolarHBondContact O-N 2.67Å; S355-S407 WeakPolarHBondContact CB-O 3.41Å; S355-F409 VanDerWaalsContact O-CE2 3.29Å; S355-F409 WeakPolarHBondContact O-CE2 3.26Å
356A89.8Confident76.8Confident21 Ų2159 Ų5917%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-97139.8175.200000110.8S308 F309 W317 L369S308-A356 PolarHBondContact OG-N 3.06Å; F309-A356 WeakPolarHBondContact O-CB 3.27Å; W317-A356 HydrophobicContact CE3-CB 3.78Å; W317-A356 HydrophobicContact CH2-CB 4.49Å; W317-A356 HydrophobicContact CZ3-CB 3.5Å; W317-A356 VanDerWaalsContact CZ3-CB 3.5Å; A356-L369 HydrophobicContact CB-CD1 3.52Å
357R83.4Confident76.7Confident63 Ų6359.4 Ų59.424%0.23830%0.304CS..EExtended strand (participates in β ladder)trans-146127.7170.3-165.2169.4-172.7-157.13.8111.1S368 F409 C410 L412R357-S368 PolarHBondContact N-O 3.25Å; R357-S368 PolarHBondContact O-N 2.59Å; R357-F409 HydrophobicContact CB-CB 4.5Å; R357-F409 HydrophobicContact CB-CD2 3.39Å; R357-F409 HydrophobicContact CB-CE2 3.63Å; R357-F409 HydrophobicContact CB-CG 3.98Å; R357-F409 HydrophobicContact CB-CZ 4.43Å; R357-F409 HydrophobicContact CG-CD2 4.38Å; R357-C410 PolarHBondContact NH1-O 3.08Å; R357-L412 VanDerWaalsContact NH2-N 3.17Å
358S71.4Confident76.8Confident59 Ų5951.2 Ų51.241%0.41327%0.266SS..  trans-86.5108.3163.9-167.20000107.8
359W64.6Low77.2Confident14 Ų1448.7 Ų48.75%0.05324%0.239CC..  trans-67.7139.7174.6-71.585.3000109.7A364 F409 L412 A419W359-A364 HydrophobicContact CB-CB 3.87Å; W359-A364 WeakPolarHBondContact CB-O 3.11Å; W359-A364 HydrophobicContact CD2-CB 3.6Å; W359-A364 HydrophobicContact CE3-CB 3.92Å; W359-A364 HydrophobicContact CG-CB 3.55Å; W359-F409 AromaticContact CZ2-CD1 3.72Å; W359-F409 HydrophobicContact CZ2-CD1 3.72Å; W359-F409 HydrophobicContact CZ2-CE1 4.34Å; W359-F409 HydrophobicContact CZ2-CG 4.43Å; W359-F409 AromaticContact NE1-CE1 3.95Å; W359-L412 HydrophobicContact CE3-CD1 3.76Å; W359-L412 HydrophobicContact CE3-CD2 3.64Å; W359-L412 HydrophobicContact CE3-CG 3.71Å; W359-L412 HydrophobicContact CZ3-CD1 4.14Å; W359-L412 HydrophobicContact CZ3-CD2 3.34Å; W359-L412 HydrophobicContact CZ3-CG 3.52Å; W359-A419 HydrophobicContact CE3-CB 4.25Å; W359-A419 HydrophobicContact CH2-CB 3.18Å; W359-A419 HydrophobicContact CZ2-CB 3.52Å; W359-A419 HydrophobicContact CZ3-CB 3.54Å
360I50Low77.4Confident160 Ų16047.6 Ų47.682%0.82123%0.232SC*.  trans-104.8-1.5169.4-59.3165.8000110.1
361S50.9Low77.5Confident29 Ų2946.2 Ų46.220%0.20322%0.222CC..SBendtrans-71.4147.2-179.8177.70000111.9E363S361-E363 PolarHBondContact O-N 3.08Å; S361-E363 VanDerWaalsContact O-N 3.16Å; S361-E363 PolarHBondContact OG-N 3.04Å
362R51.1Low77.5Confident210 Ų21046.2 Ų46.279%0.79222%0.222SC*.SBendtrans-61.5-21.7177.7-150.2174.7-174.9177.70.7112.9R365R362-R365 PolarHBondContact O-NE 2.97Å
363E52.9Low77.3Confident81 Ų8146.1 Ų46.138%0.37922%0.221SC..SBendtrans-95.7-41.3-171.5-66.9160.9-168.800112.9S361 Q417 G418 E436S361-E363 PolarHBondContact O-N 3.08Å; S361-E363 VanDerWaalsContact O-N 3.16Å; S361-E363 PolarHBondContact OG-N 3.04Å; E363-Q417 VanDerWaalsContact OE1-CG 3.24Å; E363-Q417 WeakPolarHBondContact OE1-CG 3.27Å; E363-Q417 VanDerWaalsContact OE2-CA 3.25Å; E363-Q417 WeakPolarHBondContact OE2-CA 3.32Å; E363-G418 PolarHBondContact OE2-N 3.08Å; E363-E436 WeakPolarHBondContact CB-OE1 3.35Å
364A55.8Low77.2Confident3 Ų347 Ų473%0.02523%0.227CC..  trans-105.592.2171.900000109.3W359W359-A364 HydrophobicContact CB-CB 3.87Å; W359-A364 WeakPolarHBondContact CB-O 3.11Å; W359-A364 HydrophobicContact CD2-CB 3.6Å; W359-A364 HydrophobicContact CE3-CB 3.92Å; W359-A364 HydrophobicContact CG-CB 3.55Å
365R61.9Low76.9Confident196 Ų19648.4 Ų48.474%0.7424%0.236SC*.  trans-82.3-16.9-173-65.7-174.7-177.9-177.71.1114.8R362R362-R365 PolarHBondContact O-NE 2.97Å
366D73.1Confident76.8Confident40 Ų4051.2 Ų51.221%0.21425%0.249CC..SBendtrans-104.6137-168.6-57.2-54.9000112.3S368 R382D366-S368 PolarHBondContact O-N 3.33Å; D366-S368 PolarHBondContact O-OG 3.23Å; D366-R382 HydrophobicContact CB-CG 3.82Å; D366-R382 IonicContact OD1-CZ 3.23Å; D366-R382 VanDerWaalsContact OD1-CZ 3.23Å; D366-R382 IonicContact OD1-NE 3.31Å; D366-R382 PolarHBondContact OD1-NE 2.94Å; D366-R382 IonicContact OD1-NH2 2.69Å; D366-R382 PolarHBondContact OD1-NH2 3.39Å; D366-R382 IonicContact OD2-CZ 3.01Å; D366-R382 IonicContact OD2-NE 3.07Å; D366-R382 PolarHBondContact OD2-NE 3.1Å; D366-R382 IonicContact OD2-NH1 3.53Å; D366-R382 IonicContact OD2-NH2 3.23Å; D366-R382 PolarHBondContact OD2-NH2 3.36Å
367P85.8Confident76.8Confident49 Ų4955 Ų5532%0.31826%0.262SS..  trans-54.8129.6167.622.4-29.7000109.3V383P367-V383 HydrophobicContact CB-CB 4.07Å; P367-V383 HydrophobicContact CB-CG2 4.4Å; P367-V383 HydrophobicContact CG-CB 4Å; P367-V383 WeakPolarHBondContact O-CB 3.32Å; P367-V383 PolarHBondContact O-N 3.48Å
368S89.3Confident77.2Confident3 Ų352 Ų522%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-129146.3-170.8-62.90000110.7R357 D366 Y381R357-S368 PolarHBondContact N-O 3.25Å; R357-S368 PolarHBondContact O-N 2.59Å; D366-S368 PolarHBondContact O-N 3.33Å; D366-S368 PolarHBondContact O-OG 3.23Å; S368-Y381 CarbonylContact C-O 3.56Å; S368-Y381 VanDerWaalsContact CA-O 3.25Å; S368-Y381 WeakPolarHBondContact CA-O 3.45Å
369L92.8Very high78.3Confident0 Ų049.8 Ų49.80%023%0.234CC..EExtended strand (participates in β ladder)trans-118.3122.9178.2-16276.4000108.8W317 I354 A356 V371 Y381 V383 L390W317-L369 HydrophobicContact CB-CD1 4.45Å; W317-L369 HydrophobicContact CB-CD2 4.35Å; W317-L369 HydrophobicContact CD2-CD1 3.76Å; W317-L369 HydrophobicContact CD2-CD2 4.29Å; W317-L369 HydrophobicContact CE3-CD1 3.68Å; W317-L369 HydrophobicContact CG-CD1 4.12Å; W317-L369 HydrophobicContact CG-CD2 3.96Å; W317-L369 HydrophobicContact CZ3-CD1 4.19Å; I354-L369 HydrophobicContact CG2-CD1 3.41Å; I354-L369 VanDerWaalsContact CG2-CD1 3.41Å; I354-L369 HydrophobicContact CG2-CD2 3.8Å; I354-L369 HydrophobicContact CG2-CG 3.67Å; A356-L369 HydrophobicContact CB-CD1 3.52Å; L369-V371 HydrophobicContact CD2-CG2 3.84Å; L369-V371 HydrophobicContact CG-CG2 4.06Å; L369-Y381 PolarHBondContact N-O 3.49Å; L369-Y381 PolarHBondContact O-N 2.92Å; L369-V383 HydrophobicContact CB-CG2 4.47Å; L369-L390 HydrophobicContact CB-CD2 4.02Å; L369-L390 HydrophobicContact CD2-CD1 3.52Å; L369-L390 HydrophobicContact CD2-CD2 3.81Å; L369-L390 HydrophobicContact CD2-CG 4.32Å
370L93.6Very high79.7Confident1 Ų149.2 Ų49.21%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-94.1129.7172-167.464.9000108.5I354 S355 L378 L380 S407 F409 V421I354-L370 CarbonylContact C-O 3.47Å; I354-L370 WeakPolarHBondContact CA-O 3.41Å; S355-L370 PolarHBondContact N-O 3.47Å; S355-L370 PolarHBondContact O-N 2.67Å; L370-L378 HydrophobicContact CD1-CD1 3.64Å; L370-L378 HydrophobicContact CD1-CD2 3.95Å; L370-L378 HydrophobicContact CD1-CG 3.7Å; L370-L378 HydrophobicContact CD2-CD1 4.23Å; L370-L378 HydrophobicContact CG-CD1 3.72Å; L370-L378 HydrophobicContact CG-CG 4.32Å; L370-L380 HydrophobicContact CD1-CD1 4.28Å; L370-S407 VanDerWaalsContact CD2-CB 3.5Å; L370-F409 HydrophobicContact CB-CD2 4.41Å; L370-F409 HydrophobicContact CB-CE1 4.3Å; L370-F409 HydrophobicContact CB-CE2 3.73Å; L370-F409 HydrophobicContact CB-CZ 3.66Å; L370-V421 HydrophobicContact CD1-CB 4.44Å; L370-V421 HydrophobicContact CD1-CG1 4.03Å; L370-V421 HydrophobicContact CD2-CB 4.01Å; L370-V421 HydrophobicContact CD2-CG1 3.92Å
371V94.9Very high81.8Confident0 Ų042.3 Ų42.30%020%0.196CC..EExtended strand (participates in β ladder)trans-132.4122.6-172.7177.50000109.3I325 I351 L369 L379 Y381I325-V371 HydrophobicContact CD1-CB 4.35Å; I325-V371 HydrophobicContact CD1-CG1 3.75Å; I325-V371 HydrophobicContact CD1-CG2 3.65Å; I351-V371 HydrophobicContact CD1-CG1 4.24Å; I351-V371 HydrophobicContact CG2-CG1 3.84Å; L369-V371 HydrophobicContact CD2-CG2 3.84Å; L369-V371 HydrophobicContact CG-CG2 4.06Å; V371-L379 HydrophobicContact CB-CB 4.35Å; V371-L379 PolarHBondContact N-O 2.9Å; V371-L379 PolarHBondContact O-N 3.27Å; V371-Y381 HydrophobicContact CB-CD2 4.25Å; V371-Y381 HydrophobicContact CB-CE2 4.24Å; V371-Y381 HydrophobicContact CG2-CD2 3.78Å; V371-Y381 HydrophobicContact CG2-CE2 4.12Å
372N93.4Very high83.7Confident0 Ų045.5 Ų45.50%020%0.203CC..EExtended strand (participates in β ladder)trans-93.5111.2165.5-71.656.2000108.7C352 S353 L378 V405 S407C352-N372 PolarHBondContact N-O 2.99Å; C352-N372 VanDerWaalsContact N-O 3.1Å; C352-N372 WeakPolarHBondContact SG-CB 3.37Å; C352-N372 PolarHBondContact SG-O 3.11Å; S353-N372 PolarHBondContact O-N 3.41Å; S353-N372 VanDerWaalsContact OG-CB 3.28Å; S353-N372 WeakPolarHBondContact OG-CB 3.24Å; S353-N372 VanDerWaalsContact OG-CG 3.28Å; S353-N372 PolarHBondContact OG-OD1 3.03Å; N372-L378 WeakPolarHBondContact OD1-CD1 3.36Å; N372-V405 WeakPolarHBondContact CB-O 3.37Å; N372-V405 VanDerWaalsContact CG-O 3.29Å; N372-V405 PolarHBondContact ND2-O 3.22Å; N372-S407 PolarHBondContact ND2-OG 3.43Å; N372-S407 WeakPolarHBondContact OD1-CB 3.2Å; N372-S407 PolarHBondContact OD1-OG 2.74Å
373A88.1Confident85.6Confident0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-104.5140.4166.100000107.8V345 S350 I351 V375 L379 H400V345-A373 HydrophobicContact CG1-CB 4.15Å; S350-A373 WeakPolarHBondContact O-CA 3.24Å; I351-A373 HydrophobicContact CD1-CB 3.72Å; A373-V375 HydrophobicContact CB-CG1 4.33Å; A373-V375 HydrophobicContact CB-CG2 3.82Å; A373-V375 PolarHBondContact O-N 2.59Å; A373-L379 HydrophobicContact CB-CD1 4.3Å; A373-H400 VanDerWaalsContact C-CE1 3.42Å; A373-H400 PolarHBondContact O-CE1 3.47Å; A373-H400 PolarHBondContact O-ND1 3.18Å
374C89.9Confident87.4Confident19 Ų1935.9 Ų35.913%0.12817%0.173CC..THydrogen-bonded Turntrans-69.552.8178.3-60.50000112.6S350 H400S350-C374 PolarHBondContact O-N 3.05Å; C374-H400 CarbonylContact C-O 3.59Å; C374-H400 VanDerWaalsContact CA-O 3.31Å; C374-H400 WeakPolarHBondContact CA-O 3.43Å; C374-H400 VanDerWaalsContact SG-CE1 3.6Å; C374-H400 PolarHBondContact SG-NE2 3.1Å; C374-H400 VanDerWaalsContact SG-NE2 3.43Å
375V88.6Confident89Confident43 Ų4338.2 Ų38.226%0.26119%0.185SC..THydrogen-bonded Turntrans-122.120.8-176.2-62.20000111.3S349 A373 K377 H400S349-V375 VanDerWaalsContact OG-CG1 3.3Å; S349-V375 WeakPolarHBondContact OG-CG1 3.38Å; A373-V375 HydrophobicContact CB-CG1 4.33Å; A373-V375 HydrophobicContact CB-CG2 3.82Å; A373-V375 PolarHBondContact O-N 2.59Å; V375-K377 HydrophobicContact CG2-CB 4.09Å; V375-K377 PolarHBondContact O-N 2.59Å; V375-H400 PolarHBondContact N-O 3.26Å
376N90.5Very high90.1Very high85 Ų8534.5 Ų34.546%0.45518%0.18SC..THydrogen-bonded Turntrans5629.1-172.7-63.4-49.2000113.8I398 H400 G401N376-I398 CarbonylContact C-O 3.53Å; N376-I398 WeakPolarHBondContact CA-O 3.47Å; N376-I398 VanDerWaalsContact CB-O 3.27Å; N376-I398 WeakPolarHBondContact CB-O 3.2Å; N376-I398 PolarHBondContact O-N 2.84Å; N376-I398 VanDerWaalsContact O-N 3.09Å; N376-H400 PolarHBondContact N-O 3.29Å; N376-H400 VanDerWaalsContact OD1-C 3.27Å; N376-H400 PolarHBondContact OD1-N 3.16Å; N376-H400 PolarHBondContact OD1-O 3.13Å; N376-G401 PolarHBondContact OD1-N 3.47Å
377K90.7Very high90.9Very high100 Ų10036.6 Ų36.644%0.43519%0.189SC..EExtended strand (participates in β ladder)trans-143141176.9-59.4178.8-176.7175.10111.2V375 L379 F396V375-K377 HydrophobicContact CG2-CB 4.09Å; V375-K377 PolarHBondContact O-N 2.59Å; K377-L379 HydrophobicContact CB-CD2 4.13Å; K377-F396 CarbonylContact C-O 3.55Å; K377-F396 VanDerWaalsContact CA-O 3.24Å; K377-F396 WeakPolarHBondContact CA-O 3.45Å
378L92.7Very high90.9Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-89.8127.2162.7178.163.6000108.2L370 N372 S395 F396 I398 S407 V421 T423 F433L370-L378 HydrophobicContact CD1-CD1 3.64Å; L370-L378 HydrophobicContact CD1-CD2 3.95Å; L370-L378 HydrophobicContact CD1-CG 3.7Å; L370-L378 HydrophobicContact CD2-CD1 4.23Å; L370-L378 HydrophobicContact CG-CD1 3.72Å; L370-L378 HydrophobicContact CG-CG 4.32Å; N372-L378 WeakPolarHBondContact OD1-CD1 3.36Å; L378-S395 CarbonylContact O-C 3.59Å; L378-S395 VanDerWaalsContact O-CA 3.32Å; L378-S395 WeakPolarHBondContact O-CA 3.48Å; L378-F396 HydrophobicContact CB-CB 4.19Å; L378-F396 HydrophobicContact CB-CD2 4.21Å; L378-F396 HydrophobicContact CD2-CD2 4.05Å; L378-F396 HydrophobicContact CG-CD2 4.06Å; L378-F396 PolarHBondContact N-O 3.42Å; L378-F396 PolarHBondContact O-N 3.26Å; L378-I398 HydrophobicContact CB-CD1 4.02Å; L378-I398 HydrophobicContact CB-CG1 4.39Å; L378-S407 WeakPolarHBondContact CD1-OG 2.94Å; L378-V421 HydrophobicContact CD2-CG2 3.89Å; L378-T423 HydrophobicContact CD2-CG2 4.07Å; L378-F433 HydrophobicContact CD2-CD2 4.37Å
379L94.3Very high91.1Very high13 Ų1336.5 Ų36.57%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-110.6134.1-175.6-57175.4000110V345 V371 A373 K377 Y381 L392V345-L379 HydrophobicContact CG1-CD1 3.32Å; V371-L379 HydrophobicContact CB-CB 4.35Å; V371-L379 PolarHBondContact N-O 2.9Å; V371-L379 PolarHBondContact O-N 3.27Å; A373-L379 HydrophobicContact CB-CD1 4.3Å; K377-L379 HydrophobicContact CB-CD2 4.13Å; L379-Y381 HydrophobicContact CB-CD2 4.23Å; L379-Y381 HydrophobicContact CB-CE2 3.66Å; L379-Y381 HydrophobicContact CD1-CE2 4.1Å; L379-L392 HydrophobicContact CB-CD1 4.13Å; L379-L392 HydrophobicContact CD2-CD1 4.16Å
380L93.2Very high91.1Very high1 Ų137.4 Ų37.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-111.2118.7174.1179.968.8000108.9L370 K393 R394 F396 F409 V435L370-L380 HydrophobicContact CD1-CD1 4.28Å; L380-K393 HydrophobicContact CD2-CD 4.13Å; L380-K393 HydrophobicContact CG-CB 4.48Å; L380-K393 WeakPolarHBondContact O-CA 3.42Å; L380-K393 WeakPolarHBondContact O-CB 3.29Å; L380-K393 PolarHBondContact O-N 3.07Å; L380-R394 HydrophobicContact CB-CB 4.24Å; L380-R394 HydrophobicContact CD2-CB 4.44Å; L380-R394 PolarHBondContact N-O 2.86Å; L380-R394 PolarHBondContact O-N 3.35Å; L380-R394 VanDerWaalsContact O-N 3.1Å; L380-F396 HydrophobicContact CB-CE2 4.1Å; L380-F409 HydrophobicContact CD1-CE1 3.74Å; L380-F409 HydrophobicContact CD1-CZ 3.86Å; L380-V435 HydrophobicContact CD2-CB 4.48Å; L380-V435 HydrophobicContact CD2-CG1 3.39Å; L380-V435 HydrophobicContact CD2-CG2 4.47Å
381Y93.5Very high91.1Very high15 Ų1542.7 Ų42.76%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-105.5145.3175.3-71.2-91.7000110.8L343 S368 L369 V371 L379 L390 Q391 L392L343-Y381 HydrophobicContact CD2-CD1 4.08Å; L343-Y381 HydrophobicContact CD2-CE1 3.53Å; S368-Y381 CarbonylContact C-O 3.56Å; S368-Y381 VanDerWaalsContact CA-O 3.25Å; S368-Y381 WeakPolarHBondContact CA-O 3.45Å; L369-Y381 PolarHBondContact N-O 3.49Å; L369-Y381 PolarHBondContact O-N 2.92Å; V371-Y381 HydrophobicContact CB-CD2 4.25Å; V371-Y381 HydrophobicContact CB-CE2 4.24Å; V371-Y381 HydrophobicContact CG2-CD2 3.78Å; V371-Y381 HydrophobicContact CG2-CE2 4.12Å; L379-Y381 HydrophobicContact CB-CD2 4.23Å; L379-Y381 HydrophobicContact CB-CE2 3.66Å; L379-Y381 HydrophobicContact CD1-CE2 4.1Å; Y381-L390 HydrophobicContact CD1-CB 3.77Å; Y381-L390 HydrophobicContact CG-CB 4.16Å; Y381-Q391 CarbonylContact C-O 3.53Å; Y381-Q391 VanDerWaalsContact CA-O 3.31Å; Y381-Q391 WeakPolarHBondContact CA-O 3.29Å; Y381-Q391 VanDerWaalsContact CD1-C 3.47Å; Y381-L392 HydrophobicContact CD1-CB 4.12Å; Y381-L392 HydrophobicContact CD1-CD1 4.43Å; Y381-L392 HydrophobicContact CD2-CD1 4.48Å; Y381-L392 HydrophobicContact CE1-CB 3.74Å; Y381-L392 HydrophobicContact CE1-CD1 4.02Å; Y381-L392 HydrophobicContact CE1-CG 4.49Å; Y381-L392 HydrophobicContact CE2-CD1 4.09Å
382R91.4Very high91Very high97 Ų9747.2 Ų47.237%0.36624%0.241SC..EExtended strand (participates in β ladder)trans-90.2134.2163.2176178.7-178.9173.310.3108.6D366 L390 Q391D366-R382 HydrophobicContact CB-CG 3.82Å; D366-R382 IonicContact OD1-CZ 3.23Å; D366-R382 VanDerWaalsContact OD1-CZ 3.23Å; D366-R382 IonicContact OD1-NE 3.31Å; D366-R382 PolarHBondContact OD1-NE 2.94Å; D366-R382 IonicContact OD1-NH2 2.69Å; D366-R382 PolarHBondContact OD1-NH2 3.39Å; D366-R382 IonicContact OD2-CZ 3.01Å; D366-R382 IonicContact OD2-NE 3.07Å; D366-R382 PolarHBondContact OD2-NE 3.1Å; D366-R382 IonicContact OD2-NH1 3.53Å; D366-R382 IonicContact OD2-NH2 3.23Å; D366-R382 PolarHBondContact OD2-NH2 3.36Å; R382-L390 WeakPolarHBondContact O-CA 3.49Å; R382-Q391 PolarHBondContact N-O 3.46Å; R382-Q391 PolarHBondContact O-N 3.04Å
383V91.6Very high90.8Very high9 Ų952 Ų526%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-84.2119.5168.7-176.30000107.6W317 P367 L369 D385 T389 L390W317-V383 HydrophobicContact CH2-CG1 4.43Å; W317-V383 HydrophobicContact CH2-CG2 3.96Å; W317-V383 HydrophobicContact CZ2-CB 4.4Å; W317-V383 HydrophobicContact CZ2-CG1 3.85Å; W317-V383 HydrophobicContact CZ2-CG2 3.6Å; P367-V383 HydrophobicContact CB-CB 4.07Å; P367-V383 HydrophobicContact CB-CG2 4.4Å; P367-V383 HydrophobicContact CG-CB 4Å; P367-V383 WeakPolarHBondContact O-CB 3.32Å; P367-V383 PolarHBondContact O-N 3.48Å; L369-V383 HydrophobicContact CB-CG2 4.47Å; V383-D385 WeakPolarHBondContact CG1-O 3.3Å; V383-T389 WeakPolarHBondContact CA-O 3.17Å; V383-L390 HydrophobicContact CG2-CD2 3.82Å
384V90.4Very high90.9Very high80 Ų8053.6 Ų53.649%0.48527%0.267SS..  trans-94.1-32.3-168.9-178.20000112.3T389 Q391V384-T389 PolarHBondContact N-O 3.47Å; V384-Q391 HydrophobicContact CG2-CB 3.68Å
385D88.4Confident91Very high51 Ų5155.2 Ų55.227%0.27328%0.279SS..SBendtrans-136.3176.1-174.265.617.1000112.2V383 E387 G388 T389V383-D385 WeakPolarHBondContact CG1-O 3.3Å; D385-E387 PolarHBondContact O-N 2.94Å; D385-E387 WeakPolarHBondContact OD1-CA 3.28Å; D385-E387 PolarHBondContact OD1-N 3.31Å; D385-G388 PolarHBondContact O-N 3.25Å; D385-G388 PolarHBondContact OD1-N 3.07Å; D385-T389 VanDerWaalsContact CG-CB 3.46Å; D385-T389 VanDerWaalsContact CG-OG1 3.26Å; D385-T389 WeakPolarHBondContact OD1-CB 3.42Å; D385-T389 PolarHBondContact OD1-N 3.44Å; D385-T389 PolarHBondContact OD1-OG1 3.44Å; D385-T389 WeakPolarHBondContact OD2-CB 3.34Å; D385-T389 PolarHBondContact OD2-OG1 2.9Å
386N86.3Confident91.1Very high118 Ų11853.2 Ų53.263%0.63127%0.267SS*.THydrogen-bonded Turntrans-79.62.7176.5-64.1-30.8000113.2I315 L329I315-N386 WeakPolarHBondContact CD1-O 3.41Å; L329-N386 WeakPolarHBondContact CD2-O 3.3Å
387E88.8Confident91.1Very high85 Ų8553.8 Ų53.840%0.39728%0.275SS..THydrogen-bonded Turntrans-100.6-4.5175.4-62.4-172.9171.100111.9S327 A340 K341 D385S327-E387 WeakPolarHBondContact CB-O 3.46Å; S327-E387 PolarHBondContact OG-O 2.7Å; A340-E387 HydrophobicContact CB-CB 4.48Å; K341-E387 WeakPolarHBondContact CE-OE2 3.42Å; K341-E387 HydrophobicContact CG-CB 4.43Å; K341-E387 IonicContact NZ-OE2 2.72Å; K341-E387 PolarHBondContact NZ-OE2 3.48Å; D385-E387 PolarHBondContact O-N 2.94Å; D385-E387 WeakPolarHBondContact OD1-CA 3.28Å; D385-E387 PolarHBondContact OD1-N 3.31Å
388G86.7Confident91.1Very high3 Ų349.6 Ų49.63%0.03126%0.257CS..  trans85.524.1177.600000114W317 D385 L390W317-G388 PolarHBondContact NE1-O 3.3Å; D385-G388 PolarHBondContact O-N 3.25Å; D385-G388 PolarHBondContact OD1-N 3.07Å; G388-L390 WeakPolarHBondContact O-CG 3.47Å; G388-L390 PolarHBondContact O-N 3.45Å
389T92.3Very high91Very high46 Ų4654.9 Ų54.928%0.28228%0.282SS..  trans-61.3131.9171.9-62.60000110.2V383 V384 D385V383-T389 WeakPolarHBondContact CA-O 3.17Å; V384-T389 PolarHBondContact N-O 3.47Å; D385-T389 VanDerWaalsContact CG-CB 3.46Å; D385-T389 VanDerWaalsContact CG-OG1 3.26Å; D385-T389 WeakPolarHBondContact OD1-CB 3.42Å; D385-T389 PolarHBondContact OD1-N 3.44Å; D385-T389 PolarHBondContact OD1-OG1 3.44Å; D385-T389 WeakPolarHBondContact OD2-CB 3.34Å; D385-T389 PolarHBondContact OD2-OG1 2.9Å
390L94.3Very high90.7Very high19 Ų1954.2 Ų54.210%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-112.1130.4-173.7-62.1176.7000110.8I325 L343 L369 Y381 R382 V383 G388I325-L390 HydrophobicContact CB-CD1 4.39Å; I325-L390 HydrophobicContact CD1-CD1 4.17Å; I325-L390 HydrophobicContact CG2-CD1 3.86Å; L343-L390 HydrophobicContact CD2-CB 3.78Å; L343-L390 HydrophobicContact CD2-CD1 4.15Å; L369-L390 HydrophobicContact CB-CD2 4.02Å; L369-L390 HydrophobicContact CD2-CD1 3.52Å; L369-L390 HydrophobicContact CD2-CD2 3.81Å; L369-L390 HydrophobicContact CD2-CG 4.32Å; Y381-L390 HydrophobicContact CD1-CB 3.77Å; Y381-L390 HydrophobicContact CG-CB 4.16Å; R382-L390 WeakPolarHBondContact O-CA 3.49Å; V383-L390 HydrophobicContact CG2-CD2 3.82Å; G388-L390 WeakPolarHBondContact O-CG 3.47Å; G388-L390 PolarHBondContact O-N 3.45Å
391Q93.3Very high90.3Very high113 Ų11356 Ų5653%0.52830%0.297SS..EExtended strand (participates in β ladder)trans-117.9127.1172.3-174.5179.421.900109.8Y381 R382 V384 K393Y381-Q391 CarbonylContact C-O 3.53Å; Y381-Q391 VanDerWaalsContact CA-O 3.31Å; Y381-Q391 WeakPolarHBondContact CA-O 3.29Å; Y381-Q391 VanDerWaalsContact CD1-C 3.47Å; R382-Q391 PolarHBondContact N-O 3.46Å; R382-Q391 PolarHBondContact O-N 3.04Å; V384-Q391 HydrophobicContact CG2-CB 3.68Å; Q391-K393 PolarHBondContact O-N 3.36Å
392L92.9Very high90Very high95 Ų9559.3 Ų59.350%0.49732%0.323SS..EExtended strand (participates in β ladder)trans-64.1122.5-180-177.467.1000109.8L379 Y381 R394L379-L392 HydrophobicContact CB-CD1 4.13Å; L379-L392 HydrophobicContact CD2-CD1 4.16Å; Y381-L392 HydrophobicContact CD1-CB 4.12Å; Y381-L392 HydrophobicContact CD1-CD1 4.43Å; Y381-L392 HydrophobicContact CD2-CD1 4.48Å; Y381-L392 HydrophobicContact CE1-CB 3.74Å; Y381-L392 HydrophobicContact CE1-CD1 4.02Å; Y381-L392 HydrophobicContact CE1-CG 4.49Å; Y381-L392 HydrophobicContact CE2-CD1 4.09Å; L392-R394 WeakPolarHBondContact CD1-O 3.35Å
393K89.4Confident89.9Confident101 Ų10158.7 Ų58.744%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-98.8-44.2177.1-175.9176.6177.6178.30111.2L380 Q391L380-K393 HydrophobicContact CD2-CD 4.13Å; L380-K393 HydrophobicContact CG-CB 4.48Å; L380-K393 WeakPolarHBondContact O-CA 3.42Å; L380-K393 WeakPolarHBondContact O-CB 3.29Å; L380-K393 PolarHBondContact O-N 3.07Å; Q391-K393 PolarHBondContact O-N 3.36Å
394R88.9Confident89.8Confident32 Ų3261.4 Ų61.412%0.12134%0.338CS..EExtended strand (participates in β ladder)trans-155.8157.5-175.1-164.7162.9-177.9-171.4-3112.5L380 L392 F396 D434 V435 R437L380-R394 HydrophobicContact CB-CB 4.24Å; L380-R394 HydrophobicContact CD2-CB 4.44Å; L380-R394 PolarHBondContact N-O 2.86Å; L380-R394 PolarHBondContact O-N 3.35Å; L380-R394 VanDerWaalsContact O-N 3.1Å; L392-R394 WeakPolarHBondContact CD1-O 3.35Å; R394-F396 HydrophobicContact CB-CE2 4.46Å; R394-F396 HydrophobicContact CB-CZ 4.28Å; R394-F396 HydrophobicContact CG-CE1 4.02Å; R394-F396 HydrophobicContact CG-CE2 4.34Å; R394-F396 HydrophobicContact CG-CZ 3.89Å; R394-D434 PolarHBondContact NH1-O 3.44Å; R394-V435 PolarHBondContact NH1-O 3.25Å; R394-R437 VanDerWaalsContact CZ-O 3.29Å; R394-R437 PolarHBondContact NH1-O 2.82Å; R394-R437 PolarHBondContact NH2-O 3.11Å
395S91.9Very high89.9Confident54 Ų5457.6 Ų57.638%0.37832%0.315SS..EExtended strand (participates in β ladder)trans-128.2143.3167.567.60000110.6L378L378-S395 CarbonylContact O-C 3.59Å; L378-S395 VanDerWaalsContact O-CA 3.32Å; L378-S395 WeakPolarHBondContact O-CA 3.48Å
396F91Very high90.2Very high1 Ų156.1 Ų56.10%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-121.3128.9177.1-47.6-87000109.3K377 L378 L380 R394 V421 F433 D434 A441K377-F396 CarbonylContact C-O 3.55Å; K377-F396 VanDerWaalsContact CA-O 3.24Å; K377-F396 WeakPolarHBondContact CA-O 3.45Å; L378-F396 HydrophobicContact CB-CB 4.19Å; L378-F396 HydrophobicContact CB-CD2 4.21Å; L378-F396 HydrophobicContact CD2-CD2 4.05Å; L378-F396 HydrophobicContact CG-CD2 4.06Å; L378-F396 PolarHBondContact N-O 3.42Å; L378-F396 PolarHBondContact O-N 3.26Å; L380-F396 HydrophobicContact CB-CE2 4.1Å; R394-F396 HydrophobicContact CB-CE2 4.46Å; R394-F396 HydrophobicContact CB-CZ 4.28Å; R394-F396 HydrophobicContact CG-CE1 4.02Å; R394-F396 HydrophobicContact CG-CE2 4.34Å; R394-F396 HydrophobicContact CG-CZ 3.89Å; F396-V421 HydrophobicContact CE2-CG2 4.26Å; F396-F433 HydrophobicContact CB-CD1 3.91Å; F396-F433 HydrophobicContact CB-CD2 4.02Å; F396-F433 HydrophobicContact CB-CE1 3.91Å; F396-F433 HydrophobicContact CB-CE2 4.04Å; F396-F433 HydrophobicContact CB-CG 3.96Å; F396-F433 HydrophobicContact CB-CZ 3.99Å; F396-F433 HydrophobicContact CD1-CB 3.65Å; F396-F433 AromaticContact CD1-CD1 3.69Å; F396-F433 HydrophobicContact CD1-CD1 3.69Å; F396-F433 HydrophobicContact CD1-CE1 4.44Å; F396-F433 AromaticContact CD1-CG 3.71Å; F396-F433 HydrophobicContact CD1-CG 3.71Å; F396-F433 HydrophobicContact CE1-CB 3.81Å; F396-F433 HydrophobicContact CE1-CG 4.39Å; F396-F433 HydrophobicContact CG-CB 4.12Å; F396-F433 HydrophobicContact CG-CD1 4.1Å; F396-F433 HydrophobicContact CG-CD2 4.27Å; F396-F433 AromaticContact CG-CG 3.92Å; F396-F433 HydrophobicContact CG-CG 3.92Å; F396-F433 HydrophobicContact CZ-CB 4.42Å; F396-D434 WeakPolarHBondContact CE1-O 3.38Å; F396-A441 HydrophobicContact CD1-CB 4.35Å
397P90.3Very high90.5Very high96 Ų9650.7 Ų50.762%0.62328%0.278SS*.EExtended strand (participates in β ladder)trans-73.1128.6-179.929.7-33.3000110.8F433P397-F433 WeakPolarHBondContact O-CZ 3.12Å
398I91.6Very high90.7Very high12 Ų1248.2 Ų48.26%0.06227%0.267CS..  trans-144.1157175.657.1166.2000110N376 L378 H400 T423 F433N376-I398 CarbonylContact C-O 3.53Å; N376-I398 WeakPolarHBondContact CA-O 3.47Å; N376-I398 VanDerWaalsContact CB-O 3.27Å; N376-I398 WeakPolarHBondContact CB-O 3.2Å; N376-I398 PolarHBondContact O-N 2.84Å; N376-I398 VanDerWaalsContact O-N 3.09Å; L378-I398 HydrophobicContact CB-CD1 4.02Å; L378-I398 HydrophobicContact CB-CG1 4.39Å; I398-H400 HydrophobicContact CD1-CB 3.72Å; I398-H400 HydrophobicContact CG1-CB 3.93Å; I398-H400 PolarHBondContact O-N 3.32Å; I398-T423 HydrophobicContact CG2-CG2 3.89Å; I398-F433 HydrophobicContact CG2-CE2 3.54Å; I398-F433 HydrophobicContact CG2-CZ 3.71Å
399Q89.8Confident90.8Very high111 Ų11148.7 Ų48.752%0.51927%0.268SS..  trans-82.1109168.9-60.4-173.610.900108.6S425 E426Q399-S425 WeakPolarHBondContact CB-OG 3.3Å; Q399-S425 PolarHBondContact N-OG 3.18Å; Q399-S425 PolarHBondContact O-OG 3.43Å; Q399-E426 HydrophobicContact CB-CB 4.39Å; Q399-E426 PolarHBondContact O-N 3.18Å
400H88.5Confident90.4Very high0 Ų046.5 Ų46.50%026%0.255CS..  trans-15980.9-175178.9-134.8000109.1C352 A373 C374 V375 N376 I398 Q403 V405C352-H400 PolarHBondContact SG-CE1 3.2Å; C352-H400 PolarHBondContact SG-NE2 2.69Å; A373-H400 VanDerWaalsContact C-CE1 3.42Å; A373-H400 PolarHBondContact O-CE1 3.47Å; A373-H400 PolarHBondContact O-ND1 3.18Å; C374-H400 CarbonylContact C-O 3.59Å; C374-H400 VanDerWaalsContact CA-O 3.31Å; C374-H400 WeakPolarHBondContact CA-O 3.43Å; C374-H400 VanDerWaalsContact SG-CE1 3.6Å; C374-H400 PolarHBondContact SG-NE2 3.1Å; C374-H400 VanDerWaalsContact SG-NE2 3.43Å; V375-H400 PolarHBondContact N-O 3.26Å; N376-H400 PolarHBondContact N-O 3.29Å; N376-H400 VanDerWaalsContact OD1-C 3.27Å; N376-H400 PolarHBondContact OD1-N 3.16Å; N376-H400 PolarHBondContact OD1-O 3.13Å; I398-H400 HydrophobicContact CD1-CB 3.72Å; I398-H400 HydrophobicContact CG1-CB 3.93Å; I398-H400 PolarHBondContact O-N 3.32Å; H400-Q403 PolarHBondContact CD2-O 2.88Å; H400-Q403 PolarHBondContact NE2-O 3.47Å; H400-V405 VanDerWaalsContact CD2-CG2 3.43Å; H400-V405 WeakPolarHBondContact CD2-CG2 3.46Å
401G85.7Confident89.3Confident38 Ų3846.7 Ų46.739%0.39226%0.257SS..SBendtrans-107.7-30.3-176.700000114.7N376 E426N376-G401 PolarHBondContact OD1-N 3.47Å; G401-E426 VanDerWaalsContact N-CD 3.33Å; G401-E426 PolarHBondContact N-OE1 2.73Å; G401-E426 PolarHBondContact N-OE2 3.28Å
402S86.7Confident87.9Confident85 Ų8543.6 Ų43.659%0.59424%0.244SC*.SBendtrans-139.6-39.9-165.564.80000115.1E426S402-E426 WeakPolarHBondContact CA-OE1 3.35Å; S402-E426 PolarHBondContact N-OE1 2.85Å; S402-E426 PolarHBondContact OG-OE1 2.84Å
403Q89.2Confident86.2Confident83 Ų8341 Ų4139%0.38823%0.23SC..SBendtrans-85.6153.1-175.7-63.3-61.3-34.500110.9H400 V405 E426 P452 L454H400-Q403 PolarHBondContact CD2-O 2.88Å; H400-Q403 PolarHBondContact NE2-O 3.47Å; Q403-V405 PolarHBondContact O-N 3.49Å; Q403-V405 VanDerWaalsContact O-N 3.12Å; Q403-E426 HydrophobicContact CB-CG 4.19Å; Q403-E426 HydrophobicContact CG-CG 4.35Å; Q403-E426 PolarHBondContact N-OE1 3.13Å; Q403-P452 HydrophobicContact CG-CB 4.32Å; Q403-P452 HydrophobicContact CG-CG 4.48Å; Q403-L454 HydrophobicContact CB-CD2 3.87Å; Q403-L454 HydrophobicContact CG-CD2 4.44Å
404N89.5Confident84.1Confident67 Ų6740.9 Ų40.936%0.35824%0.242SC..  trans-76.7102.6174.8-69.3-9.1000109.6C352C352-N404 HydrophobicContact CB-CB 3.89Å
405V93.3Very high82.1Confident0 Ų049 Ų490%028%0.278CS..  trans-100129.6176.6178.40000110.1C352 S353 N372 H400 Q403 G424 E426 L454C352-V405 PolarHBondContact SG-O 3.04Å; S353-V405 PolarHBondContact OG-O 2.84Å; N372-V405 WeakPolarHBondContact CB-O 3.37Å; N372-V405 VanDerWaalsContact CG-O 3.29Å; N372-V405 PolarHBondContact ND2-O 3.22Å; H400-V405 VanDerWaalsContact CD2-CG2 3.43Å; H400-V405 WeakPolarHBondContact CD2-CG2 3.46Å; Q403-V405 PolarHBondContact O-N 3.49Å; Q403-V405 VanDerWaalsContact O-N 3.12Å; V405-G424 VanDerWaalsContact CG1-C 3.49Å; V405-G424 VanDerWaalsContact CG1-O 3.25Å; V405-G424 WeakPolarHBondContact CG1-O 3.42Å; V405-E426 HydrophobicContact CG2-CG 4.5Å; V405-L454 CarbonylContact C-O 3.59Å; V405-L454 WeakPolarHBondContact CA-O 3.47Å
406H93.8Very high80.2Confident20 Ų2050.4 Ų50.49%0.09328%0.275CS..  trans-98.5143.5174.6-68.3-95.7000111.2R174 S353 G424 L454 D455 V456R174-H406 PolarHBondContact NH1-ND1 2.85Å; R174-H406 VanDerWaalsContact NH1-ND1 3.11Å; S353-H406 VanDerWaalsContact CB-ND1 3.27Å; S353-H406 WeakPolarHBondContact CB-ND1 3.5Å; S353-H406 WeakPolarHBondContact OG-CA 3.44Å; H406-G424 PolarHBondContact O-N 2.88Å; H406-L454 PolarHBondContact CD2-O 3.07Å; H406-L454 PolarHBondContact N-O 3.35Å; H406-D455 HydrophobicContact CB-CB 4.15Å; H406-D455 WeakPolarHBondContact CB-OD1 3.46Å; H406-D455 IonicContact CG-OD1 2.78Å; H406-V456 WeakPolarHBondContact O-CG2 3.24Å
407S93.4Very high78.4Confident4 Ų457.4 Ų57.43%0.02831%0.308CS..EExtended strand (participates in β ladder)trans-134.1149.1175.2-47.30000109.7S355 L370 N372 L378 V422 T423S355-S407 WeakPolarHBondContact CB-O 3.41Å; L370-S407 VanDerWaalsContact CD2-CB 3.5Å; N372-S407 PolarHBondContact ND2-OG 3.43Å; N372-S407 WeakPolarHBondContact OD1-CB 3.2Å; N372-S407 PolarHBondContact OD1-OG 2.74Å; L378-S407 WeakPolarHBondContact CD1-OG 2.94Å; S407-V422 VanDerWaalsContact CA-O 3.3Å; S407-V422 WeakPolarHBondContact CA-O 3.35Å; S407-V422 WeakPolarHBondContact CB-O 3.34Å; S407-T423 WeakPolarHBondContact OG-CB 3.45Å; S407-T423 PolarHBondContact OG-OG1 3.25Å
408I92.2Very high77.1Confident33 Ų3353.6 Ų53.617%0.16929%0.286CS..EExtended strand (participates in β ladder)trans-133.515517962.6170.1000110.6V422 V456 F458I408-V422 HydrophobicContact CD1-CG1 4.25Å; I408-V422 HydrophobicContact CG1-CG1 3.62Å; I408-V422 PolarHBondContact N-O 3.33Å; I408-V422 PolarHBondContact O-N 2.93Å; I408-V456 WeakPolarHBondContact CD1-O 3.44Å; I408-V456 HydrophobicContact CG1-CG2 4.24Å; I408-F458 HydrophobicContact CD1-CB 4.36Å; I408-F458 HydrophobicContact CD1-CD2 3.55Å; I408-F458 HydrophobicContact CD1-CE2 4.34Å; I408-F458 HydrophobicContact CD1-CG 4.39Å; I408-F458 HydrophobicContact CG1-CD2 4.32Å
409F89.1Confident76.4Confident12 Ų1253.1 Ų53.15%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-69.1134.4165.7-66.6-78.7000109.7S355 R357 W359 L370 L380 V421S355-F409 VanDerWaalsContact O-CE2 3.29Å; S355-F409 WeakPolarHBondContact O-CE2 3.26Å; R357-F409 HydrophobicContact CB-CB 4.5Å; R357-F409 HydrophobicContact CB-CD2 3.39Å; R357-F409 HydrophobicContact CB-CE2 3.63Å; R357-F409 HydrophobicContact CB-CG 3.98Å; R357-F409 HydrophobicContact CB-CZ 4.43Å; R357-F409 HydrophobicContact CG-CD2 4.38Å; W359-F409 AromaticContact CZ2-CD1 3.72Å; W359-F409 HydrophobicContact CZ2-CD1 3.72Å; W359-F409 HydrophobicContact CZ2-CE1 4.34Å; W359-F409 HydrophobicContact CZ2-CG 4.43Å; W359-F409 AromaticContact NE1-CE1 3.95Å; L370-F409 HydrophobicContact CB-CD2 4.41Å; L370-F409 HydrophobicContact CB-CE1 4.3Å; L370-F409 HydrophobicContact CB-CE2 3.73Å; L370-F409 HydrophobicContact CB-CZ 3.66Å; L380-F409 HydrophobicContact CD1-CE1 3.74Å; L380-F409 HydrophobicContact CD1-CZ 3.86Å; F409-V421 HydrophobicContact CD1-CG1 3.53Å; F409-V421 HydrophobicContact CE1-CG1 3.85Å; F409-V421 HydrophobicContact CG-CG1 4.39Å
410C83.1Confident76.1Confident0 Ų047.9 Ų47.90%026%0.259CS..PPolyproline II helixtrans-65.2132.9170.7-63.70000108.6Y155 R357 C420 F458Y155-C410 HydrophobicContact CE1-CB 3.58Å; Y155-C410 VanDerWaalsContact OH-CB 3.27Å; Y155-C410 WeakPolarHBondContact OH-CB 3.38Å; R357-C410 PolarHBondContact NH1-O 3.08Å; C410-C420 HydrophobicContact CB-CB 3.84Å; C410-C420 WeakPolarHBondContact CB-O 3.24Å; C410-C420 PolarHBondContact N-O 2.88Å; C410-C420 VanDerWaalsContact SG-CB 3.59Å; C410-F458 HydrophobicContact CB-CE2 4.25Å
411P72.9Confident76.2Confident24 Ų2447.9 Ų47.916%0.15626%0.259CS..PPolyproline II helixtrans-61152.918032.2-39.1000110.3M413 F458 E462P411-M413 PolarHBondContact O-N 3.49Å; P411-M413 VanDerWaalsContact O-N 3.16Å; P411-F458 HydrophobicContact CG-CB 3.94Å; P411-F458 HydrophobicContact CG-CD1 4.25Å; P411-F458 HydrophobicContact CG-CD2 4.28Å; P411-F458 HydrophobicContact CG-CG 3.9Å; P411-E462 WeakPolarHBondContact CA-OE1 3.33Å; P411-E462 HydrophobicContact CB-CG 3.74Å; P411-E462 WeakPolarHBondContact CB-OE1 3.41Å; P411-E462 HydrophobicContact CG-CB 3.82Å; P411-E462 VanDerWaalsContact CG-CD 3.45Å; P411-E462 HydrophobicContact CG-CG 3.35Å; P411-E462 WeakPolarHBondContact CG-OE1 3.41Å
412L63.8Low76.6Confident48 Ų4846 Ų4625%0.25124%0.241SC..  trans-80.8104-165.6-100.2168000106.6R357 W359 S414 E462R357-L412 VanDerWaalsContact NH2-N 3.17Å; W359-L412 HydrophobicContact CE3-CD1 3.76Å; W359-L412 HydrophobicContact CE3-CD2 3.64Å; W359-L412 HydrophobicContact CE3-CG 3.71Å; W359-L412 HydrophobicContact CZ3-CD1 4.14Å; W359-L412 HydrophobicContact CZ3-CD2 3.34Å; W359-L412 HydrophobicContact CZ3-CG 3.52Å; L412-S414 PolarHBondContact O-N 2.72Å; L412-E462 VanDerWaalsContact C-OE1 3.26Å; L412-E462 PolarHBondContact N-OE1 3.11Å; L412-E462 VanDerWaalsContact N-OE1 3.11Å
413M56.2Low76.9Confident41 Ų4142 Ų4220%0.20221%0.213CC..  trans-51.9113.5167.1-75.3-149.488.800108.2N154 P411 F415 R416 R479N154-M413 HydrophobicContact CB-SD 3.75Å; P411-M413 PolarHBondContact O-N 3.49Å; P411-M413 VanDerWaalsContact O-N 3.16Å; M413-F415 PolarHBondContact O-N 3.23Å; M413-R416 HydrophobicContact CB-CB 4.28Å; M413-R416 PolarHBondContact O-N 2.81Å; M413-R479 PolarHBondContact SD-NH2 2.72Å
414S46.6Very low77.1Confident98 Ų9838 Ų3869%0.68519%0.194SC*.THydrogen-bonded Turntrans-44.9109174.4-61.50000108.7L412L412-S414 PolarHBondContact O-N 2.72Å
415F45.3Very low77.4Confident202 Ų20234.9 Ų34.989%0.88618%0.177SC*.THydrogen-bonded Turntrans77.815.9170.7-51.6-83.1000120M413M413-F415 PolarHBondContact O-N 3.23Å
416R53Low77.4Confident84 Ų8436.8 Ų36.832%0.31719%0.186SC..  trans-114141.2178.1-61.8-169.6-177.4-178.51.1113.9T149 N154 M413T149-R416 PolarHBondContact OG1-NH1 2.94Å; N154-R416 PolarHBondContact OD1-NH1 2.9Å; M413-R416 HydrophobicContact CB-CB 4.28Å; M413-R416 PolarHBondContact O-N 2.81Å
417Q53.5Low77.3Confident147 Ų14738.2 Ų38.269%0.68719%0.194SC*.SBendtrans-60.4129.6-178.1-78170.1-3.200112.4E363E363-Q417 VanDerWaalsContact OE1-CG 3.24Å; E363-Q417 WeakPolarHBondContact OE1-CG 3.27Å; E363-Q417 VanDerWaalsContact OE2-CA 3.25Å; E363-Q417 WeakPolarHBondContact OE2-CA 3.32Å
418G62.6Low77.2Confident16 Ų1638.2 Ų38.217%0.16520%0.195CC..  trans109.8120.3165.600000115.7E363E363-G418 PolarHBondContact OE2-N 3.08Å
419A76.2Confident77.2Confident3 Ų337 Ų373%0.02519%0.189CC..  trans-80.4129.3171.700000111.3W359 V435W359-A419 HydrophobicContact CE3-CB 4.25Å; W359-A419 HydrophobicContact CH2-CB 3.18Å; W359-A419 HydrophobicContact CZ2-CB 3.52Å; W359-A419 HydrophobicContact CZ3-CB 3.54Å; A419-V435 HydrophobicContact CB-CB 3.83Å; A419-V435 HydrophobicContact CB-CG1 4.32Å; A419-V435 HydrophobicContact CB-CG2 4.13Å; A419-V435 VanDerWaalsContact O-CB 3.25Å; A419-V435 WeakPolarHBondContact O-CB 3.35Å; A419-V435 WeakPolarHBondContact O-CG2 3.43Å; A419-V435 PolarHBondContact O-N 2.86Å
420C84.8Confident77.5Confident0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-117.7154.8173.5-76.80000112.5L151 Y155 C410 F433L151-C420 WeakPolarHBondContact CD2-SG 3.04Å; Y155-C420 HydrophobicContact CD2-CB 4.14Å; Y155-C420 HydrophobicContact CE1-CB 4.5Å; Y155-C420 HydrophobicContact CE2-CB 3.51Å; Y155-C420 WeakPolarHBondContact CE2-SG 3.37Å; C410-C420 HydrophobicContact CB-CB 3.84Å; C410-C420 WeakPolarHBondContact CB-O 3.24Å; C410-C420 PolarHBondContact N-O 2.88Å; C410-C420 VanDerWaalsContact SG-CB 3.59Å; C420-F433 CarbonylContact C-O 3.6Å; C420-F433 WeakPolarHBondContact CA-O 3.35Å
421V90Very high78Confident0 Ų037.8 Ų37.80%019%0.192CC..EExtended strand (participates in β ladder)trans-122.1147.3166.9-64.10000109.4L370 L378 F396 F409 F432 F433 V435L370-V421 HydrophobicContact CD1-CB 4.44Å; L370-V421 HydrophobicContact CD1-CG1 4.03Å; L370-V421 HydrophobicContact CD2-CB 4.01Å; L370-V421 HydrophobicContact CD2-CG1 3.92Å; L378-V421 HydrophobicContact CD2-CG2 3.89Å; F396-V421 HydrophobicContact CE2-CG2 4.26Å; F409-V421 HydrophobicContact CD1-CG1 3.53Å; F409-V421 HydrophobicContact CE1-CG1 3.85Å; F409-V421 HydrophobicContact CG-CG1 4.39Å; V421-F432 CarbonylContact O-C 3.56Å; V421-F432 WeakPolarHBondContact O-CA 3.43Å; V421-F433 HydrophobicContact CG2-CB 3.73Å; V421-F433 HydrophobicContact CG2-CD2 4.48Å; V421-F433 PolarHBondContact N-O 3.03Å; V421-F433 PolarHBondContact O-N 3.49Å; V421-V435 HydrophobicContact CG1-CG2 3.72Å; V421-V435 HydrophobicContact CG2-CG2 4.46Å
422V92.9Very high78.8Confident0 Ų036.7 Ų36.70%019%0.185CC..EExtended strand (participates in β ladder)trans-118.2141.6174.398.90000109.6S407 I408 V430 Y431 F432 V456 F458 L465S407-V422 VanDerWaalsContact CA-O 3.3Å; S407-V422 WeakPolarHBondContact CA-O 3.35Å; S407-V422 WeakPolarHBondContact CB-O 3.34Å; I408-V422 HydrophobicContact CD1-CG1 4.25Å; I408-V422 HydrophobicContact CG1-CG1 3.62Å; I408-V422 PolarHBondContact N-O 3.33Å; I408-V422 PolarHBondContact O-N 2.93Å; V422-V430 HydrophobicContact CG2-CG1 3.64Å; V422-Y431 WeakPolarHBondContact CA-O 3.41Å; V422-Y431 WeakPolarHBondContact CG2-O 3.31Å; V422-F432 HydrophobicContact CB-CD1 4.35Å; V422-F432 HydrophobicContact CB-CE1 4.3Å; V422-F432 HydrophobicContact CG2-CD1 3.61Å; V422-F432 HydrophobicContact CG2-CD2 3.73Å; V422-F432 HydrophobicContact CG2-CE1 3.46Å; V422-F432 VanDerWaalsContact CG2-CE1 3.46Å; V422-F432 HydrophobicContact CG2-CE2 3.53Å; V422-F432 HydrophobicContact CG2-CG 3.75Å; V422-F432 HydrophobicContact CG2-CZ 3.41Å; V422-F432 VanDerWaalsContact CG2-CZ 3.41Å; V422-V456 HydrophobicContact CG1-CB 3.91Å; V422-V456 HydrophobicContact CG1-CG2 3.66Å; V422-F458 HydrophobicContact CB-CE2 4.16Å; V422-F458 HydrophobicContact CG1-CE2 3.9Å; V422-L465 HydrophobicContact CG1-CD1 4.26Å; V422-L465 HydrophobicContact CG2-CD2 4.4Å
423T94.3Very high80Confident0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-146.1141.8-175.8-172.50000110.7L378 I398 S407 V430 Y431 F433L378-T423 HydrophobicContact CD2-CG2 4.07Å; I398-T423 HydrophobicContact CG2-CG2 3.89Å; S407-T423 WeakPolarHBondContact OG-CB 3.45Å; S407-T423 PolarHBondContact OG-OG1 3.25Å; T423-V430 WeakPolarHBondContact O-CA 3.42Å; T423-Y431 PolarHBondContact N-O 2.88Å; T423-Y431 PolarHBondContact O-N 3.5Å; T423-F433 HydrophobicContact CG2-CD2 4.03Å; T423-F433 HydrophobicContact CG2-CE2 3.69Å
424G94.1Very high81.4Confident0 Ų032.7 Ų32.70%017%0.165CC..  trans-70.4171.2163.900000111.4V405 H406V405-G424 VanDerWaalsContact CG1-C 3.49Å; V405-G424 VanDerWaalsContact CG1-O 3.25Å; V405-G424 WeakPolarHBondContact CG1-O 3.42Å; H406-G424 PolarHBondContact O-N 2.88Å
425S94.5Very high83.1Confident0 Ų028.3 Ų28.30%013%0.134CC..  trans-151.4154171.5-173.60000110.2Q399 D427 G428 C429 V453Q399-S425 WeakPolarHBondContact CB-OG 3.3Å; Q399-S425 PolarHBondContact N-OG 3.18Å; Q399-S425 PolarHBondContact O-OG 3.43Å; S425-D427 VanDerWaalsContact CB-OD1 3.26Å; S425-D427 WeakPolarHBondContact CB-OD1 3.32Å; S425-D427 PolarHBondContact O-N 3.28Å; S425-D427 PolarHBondContact OG-OD1 2.8Å; S425-G428 PolarHBondContact O-N 2.69Å; S425-G428 VanDerWaalsContact O-N 3.16Å; S425-C429 PolarHBondContact N-O 3.31Å; S425-C429 VanDerWaalsContact N-O 3.11Å; S425-V453 PolarHBondContact O-N 3.38Å
426E94.3Very high84.6Confident41 Ų4122.5 Ų22.519%0.19211%0.109CC..THydrogen-bonded Turntrans-64.3-15.8176.8-67.5-179.2153.400113.2Q399 G401 S402 Q403 V405 G428 P452Q399-E426 HydrophobicContact CB-CB 4.39Å; Q399-E426 PolarHBondContact O-N 3.18Å; G401-E426 VanDerWaalsContact N-CD 3.33Å; G401-E426 PolarHBondContact N-OE1 2.73Å; G401-E426 PolarHBondContact N-OE2 3.28Å; S402-E426 WeakPolarHBondContact CA-OE1 3.35Å; S402-E426 PolarHBondContact N-OE1 2.85Å; S402-E426 PolarHBondContact OG-OE1 2.84Å; Q403-E426 HydrophobicContact CB-CG 4.19Å; Q403-E426 HydrophobicContact CG-CG 4.35Å; Q403-E426 PolarHBondContact N-OE1 3.13Å; V405-E426 HydrophobicContact CG2-CG 4.5Å; E426-G428 PolarHBondContact O-N 2.96Å; E426-P452 HydrophobicContact CB-CB 4.48Å
427D92Very high85.5Confident49 Ų4925.4 Ų25.426%0.26212%0.121SC..THydrogen-bonded Turntrans-77.43.8174.577.5-11.4000114.2S425 C429 Y431 K445S425-D427 VanDerWaalsContact CB-OD1 3.26Å; S425-D427 WeakPolarHBondContact CB-OD1 3.32Å; S425-D427 PolarHBondContact O-N 3.28Å; S425-D427 PolarHBondContact OG-OD1 2.8Å; D427-C429 VanDerWaalsContact C-N 3.31Å; D427-C429 PolarHBondContact O-N 2.95Å; D427-C429 WeakPolarHBondContact OD1-CA 3.4Å; D427-C429 WeakPolarHBondContact OD1-CB 3.34Å; D427-C429 PolarHBondContact OD1-N 2.91Å; D427-Y431 WeakPolarHBondContact OD2-CE2 3.48Å; D427-Y431 PolarHBondContact OD2-OH 3.48Å; D427-K445 IonicContact OD2-NZ 2.95Å
428G90.1Very high86Confident5 Ų525 Ų255%0.05212%0.123CC..SBendtrans77.214.2-179.100000114.5S425 E426 G451S425-G428 PolarHBondContact O-N 2.69Å; S425-G428 VanDerWaalsContact O-N 3.16Å; E426-G428 PolarHBondContact O-N 2.96Å; G428-G451 VanDerWaalsContact CA-O 3.23Å; G428-G451 WeakPolarHBondContact CA-O 3.5Å
429C93Very high85.9Confident7 Ų729.7 Ų29.75%0.04715%0.149CC..EExtended strand (participates in β ladder)trans-111.3155.4179.2-53.50000112S425 D427 Y431 K445 L446S425-C429 PolarHBondContact N-O 3.31Å; S425-C429 VanDerWaalsContact N-O 3.11Å; D427-C429 VanDerWaalsContact C-N 3.31Å; D427-C429 PolarHBondContact O-N 2.95Å; D427-C429 WeakPolarHBondContact OD1-CA 3.4Å; D427-C429 WeakPolarHBondContact OD1-CB 3.34Å; D427-C429 PolarHBondContact OD1-N 2.91Å; C429-Y431 HydrophobicContact CB-CD2 4.39Å; C429-Y431 HydrophobicContact CB-CE2 3.8Å; C429-K445 HydrophobicContact CB-CD 4.43Å; C429-K445 HydrophobicContact CB-CG 4.19Å; C429-K445 WeakPolarHBondContact SG-CE 3.48Å; C429-K445 PolarHBondContact SG-NZ 3.3Å; C429-L446 WeakPolarHBondContact CA-O 3.46Å
430V94.4Very high85.4Confident0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-105.6124.7169.3-179.50000108.4V422 T423 F432 K445 L446 V453 V456 L465V422-V430 HydrophobicContact CG2-CG1 3.64Å; T423-V430 WeakPolarHBondContact O-CA 3.42Å; V430-F432 HydrophobicContact CG1-CE2 4.11Å; V430-K445 CarbonylContact O-C 3.54Å; V430-K445 WeakPolarHBondContact O-CA 3.41Å; V430-L446 HydrophobicContact CB-CB 4.15Å; V430-L446 PolarHBondContact N-O 3.25Å; V430-L446 PolarHBondContact O-N 3.49Å; V430-V453 HydrophobicContact CG2-CG1 4.08Å; V430-V453 HydrophobicContact CG2-CG2 4.35Å; V430-V456 HydrophobicContact CG1-CG1 4.03Å; V430-V456 HydrophobicContact CG2-CG1 4.18Å; V430-L465 HydrophobicContact CG1-CD2 4.34Å
431Y92.8Very high85Confident29 Ų2938.7 Ų38.711%0.11419%0.191CC..EExtended strand (participates in β ladder)trans-107.1140-178.2-70.9-84.9000111.5V422 T423 D427 C429 F433 I442 K445V422-Y431 WeakPolarHBondContact CA-O 3.41Å; V422-Y431 WeakPolarHBondContact CG2-O 3.31Å; T423-Y431 PolarHBondContact N-O 2.88Å; T423-Y431 PolarHBondContact O-N 3.5Å; D427-Y431 WeakPolarHBondContact OD2-CE2 3.48Å; D427-Y431 PolarHBondContact OD2-OH 3.48Å; C429-Y431 HydrophobicContact CB-CD2 4.39Å; C429-Y431 HydrophobicContact CB-CE2 3.8Å; Y431-F433 HydrophobicContact CG-CE2 4.43Å; Y431-F433 HydrophobicContact CG-CZ 4.49Å; Y431-I442 HydrophobicContact CD1-CD1 4.22Å; Y431-I442 HydrophobicContact CD1-CG2 4.24Å; Y431-I442 HydrophobicContact CE1-CD1 4.27Å; Y431-K445 HydrophobicContact CD1-CD 4.45Å; Y431-K445 HydrophobicContact CD1-CG 4.28Å; Y431-K445 HydrophobicContact CE1-CD 3.71Å; Y431-K445 HydrophobicContact CE1-CG 3.99Å; Y431-K445 VanDerWaalsContact OH-CE 3.28Å; Y431-K445 WeakPolarHBondContact OH-CE 3.48Å; Y431-K445 PolarHBondContact OH-NZ 3.44Å
432F90.8Very high84.7Confident0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-109.9125.1171.2-68.2-108.2000108.5Y155 F157 V421 V422 V430 I442 V443 N444 L446 F458 L465Y155-F432 HydrophobicContact CD1-CD1 4.01Å; Y155-F432 AromaticContact CD1-CE1 3.9Å; Y155-F432 HydrophobicContact CD1-CE1 3.9Å; Y155-F432 HydrophobicContact CG-CD1 4.03Å; Y155-F432 HydrophobicContact CG-CE1 4.28Å; F157-F432 HydrophobicContact CD2-CZ 4.23Å; F157-F432 AromaticContact CE2-CE1 3.79Å; F157-F432 HydrophobicContact CE2-CE1 3.79Å; F157-F432 HydrophobicContact CE2-CE2 4.13Å; F157-F432 AromaticContact CE2-CZ 3.3Å; F157-F432 HydrophobicContact CE2-CZ 3.3Å; F157-F432 HydrophobicContact CZ-CE1 4.26Å; F157-F432 AromaticContact CZ-CZ 3.79Å; F157-F432 HydrophobicContact CZ-CZ 3.79Å; V421-F432 CarbonylContact O-C 3.56Å; V421-F432 WeakPolarHBondContact O-CA 3.43Å; V422-F432 HydrophobicContact CB-CD1 4.35Å; V422-F432 HydrophobicContact CB-CE1 4.3Å; V422-F432 HydrophobicContact CG2-CD1 3.61Å; V422-F432 HydrophobicContact CG2-CD2 3.73Å; V422-F432 HydrophobicContact CG2-CE1 3.46Å; V422-F432 VanDerWaalsContact CG2-CE1 3.46Å; V422-F432 HydrophobicContact CG2-CE2 3.53Å; V422-F432 HydrophobicContact CG2-CG 3.75Å; V422-F432 HydrophobicContact CG2-CZ 3.41Å; V422-F432 VanDerWaalsContact CG2-CZ 3.41Å; V430-F432 HydrophobicContact CG1-CE2 4.11Å; F432-I442 CarbonylContact O-C 3.58Å; F432-I442 WeakPolarHBondContact O-CA 3.28Å; F432-V443 HydrophobicContact CB-CB 4.12Å; F432-V443 PolarHBondContact O-N 2.71Å; F432-N444 HydrophobicContact CB-CB 4.08Å; F432-N444 HydrophobicContact CD2-CB 3.91Å; F432-N444 HydrophobicContact CG-CB 4.07Å; F432-N444 PolarHBondContact N-O 3.45Å; F432-L446 HydrophobicContact CE2-CD1 3.73Å; F432-L446 HydrophobicContact CE2-CG 3.87Å; F432-L446 HydrophobicContact CZ-CD1 4.08Å; F432-F458 HydrophobicContact CE1-CZ 4Å; F432-L465 HydrophobicContact CE2-CD2 4.25Å; F432-L465 HydrophobicContact CZ-CD2 3.6Å
433F88.9Confident84.2Confident1 Ų144 Ų440%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-114.7135.6175.6-65.3-81.4000111.9L378 F396 P397 I398 C420 V421 T423 Y431 A441 I442L378-F433 HydrophobicContact CD2-CD2 4.37Å; F396-F433 HydrophobicContact CB-CD1 3.91Å; F396-F433 HydrophobicContact CB-CD2 4.02Å; F396-F433 HydrophobicContact CB-CE1 3.91Å; F396-F433 HydrophobicContact CB-CE2 4.04Å; F396-F433 HydrophobicContact CB-CG 3.96Å; F396-F433 HydrophobicContact CB-CZ 3.99Å; F396-F433 HydrophobicContact CD1-CB 3.65Å; F396-F433 AromaticContact CD1-CD1 3.69Å; F396-F433 HydrophobicContact CD1-CD1 3.69Å; F396-F433 HydrophobicContact CD1-CE1 4.44Å; F396-F433 AromaticContact CD1-CG 3.71Å; F396-F433 HydrophobicContact CD1-CG 3.71Å; F396-F433 HydrophobicContact CE1-CB 3.81Å; F396-F433 HydrophobicContact CE1-CG 4.39Å; F396-F433 HydrophobicContact CG-CB 4.12Å; F396-F433 HydrophobicContact CG-CD1 4.1Å; F396-F433 HydrophobicContact CG-CD2 4.27Å; F396-F433 AromaticContact CG-CG 3.92Å; F396-F433 HydrophobicContact CG-CG 3.92Å; F396-F433 HydrophobicContact CZ-CB 4.42Å; P397-F433 WeakPolarHBondContact O-CZ 3.12Å; I398-F433 HydrophobicContact CG2-CE2 3.54Å; I398-F433 HydrophobicContact CG2-CZ 3.71Å; C420-F433 CarbonylContact C-O 3.6Å; C420-F433 WeakPolarHBondContact CA-O 3.35Å; V421-F433 HydrophobicContact CG2-CB 3.73Å; V421-F433 HydrophobicContact CG2-CD2 4.48Å; V421-F433 PolarHBondContact N-O 3.03Å; V421-F433 PolarHBondContact O-N 3.49Å; T423-F433 HydrophobicContact CG2-CD2 4.03Å; T423-F433 HydrophobicContact CG2-CE2 3.69Å; Y431-F433 HydrophobicContact CG-CE2 4.43Å; Y431-F433 HydrophobicContact CG-CZ 4.49Å; F433-A441 CarbonylContact C-O 3.56Å; F433-A441 WeakPolarHBondContact CA-O 3.41Å; F433-A441 HydrophobicContact CD1-CB 3.97Å; F433-I442 HydrophobicContact CD1-CG1 3.87Å; F433-I442 HydrophobicContact CE1-CB 4.45Å; F433-I442 HydrophobicContact CE1-CD1 4.18Å; F433-I442 HydrophobicContact CE1-CG1 3.31Å; F433-I442 HydrophobicContact CZ-CG1 4.03Å
434D85.1Confident83.8Confident4 Ų445.9 Ų45.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-75.4125.2166.7-172.9-34.7000108.7L151 R394 F396 E436 R437 A441 V443L151-D434 HydrophobicContact CD2-CB 3.83Å; L151-D434 VanDerWaalsContact CD2-CG 3.45Å; L151-D434 WeakPolarHBondContact CD2-OD2 3.16Å; R394-D434 PolarHBondContact NH1-O 3.44Å; F396-D434 WeakPolarHBondContact CE1-O 3.38Å; D434-E436 PolarHBondContact OD1-N 2.87Å; D434-R437 HydrophobicContact CB-CB 4.37Å; D434-R437 PolarHBondContact OD1-N 2.61Å; D434-R437 WeakPolarHBondContact OD2-CB 3.39Å; D434-R437 WeakPolarHBondContact OD2-CD 3.42Å; D434-R437 WeakPolarHBondContact OD2-CG 3.44Å; D434-R437 IonicContact OD2-NE 2.72Å; D434-A441 PolarHBondContact N-O 3.11Å; D434-V443 HydrophobicContact CB-CG2 3.6Å
435V82.6Confident83.6Confident7 Ų749.5 Ų49.54%0.04225%0.246CC..SBendtrans-74.1-30.3-178.6171.70000112.2L380 R394 A419 V421L380-V435 HydrophobicContact CD2-CB 4.48Å; L380-V435 HydrophobicContact CD2-CG1 3.39Å; L380-V435 HydrophobicContact CD2-CG2 4.47Å; R394-V435 PolarHBondContact NH1-O 3.25Å; A419-V435 HydrophobicContact CB-CB 3.83Å; A419-V435 HydrophobicContact CB-CG1 4.32Å; A419-V435 HydrophobicContact CB-CG2 4.13Å; A419-V435 VanDerWaalsContact O-CB 3.25Å; A419-V435 WeakPolarHBondContact O-CB 3.35Å; A419-V435 WeakPolarHBondContact O-CG2 3.43Å; A419-V435 PolarHBondContact O-N 2.86Å; V421-V435 HydrophobicContact CG1-CG2 3.72Å; V421-V435 HydrophobicContact CG2-CG2 4.46Å
436E76.6Confident83.3Confident79 Ų7950.3 Ų50.337%0.36925%0.25SC..SBendtrans-101.3-40.9-169.8-62.7-173.5171.700113.2E363 D434 N438E363-E436 WeakPolarHBondContact CB-OE1 3.35Å; D434-E436 PolarHBondContact OD1-N 2.87Å; E436-N438 PolarHBondContact O-N 3.06Å
437R72.1Confident83.1Confident146 Ų14652.4 Ų52.455%0.55126%0.26SS*.  trans-78.3122-176.4-65.1-176.9-172.6-159-2.6111.8R394 D434R394-R437 VanDerWaalsContact CZ-O 3.29Å; R394-R437 PolarHBondContact NH1-O 2.82Å; R394-R437 PolarHBondContact NH2-O 3.11Å; D434-R437 HydrophobicContact CB-CB 4.37Å; D434-R437 PolarHBondContact OD1-N 2.61Å; D434-R437 WeakPolarHBondContact OD2-CB 3.39Å; D434-R437 WeakPolarHBondContact OD2-CD 3.42Å; D434-R437 WeakPolarHBondContact OD2-CG 3.44Å; D434-R437 IonicContact OD2-NE 2.72Å
438N63.9Low82.7Confident137 Ų13750.8 Ų50.873%0.73325%0.254SS*.SBendtrans-73.8-31.8177.7-81.9-16.8000113.7E436E436-N438 PolarHBondContact O-N 3.06Å
439T60.2Low82.7Confident116 Ų11651.5 Ų51.571%0.71226%0.256SS*.SBendtrans-91.4126.9-179.9550000110.6
440K65.7Low82.3Confident168 Ų16853.7 Ų53.773%0.7328%0.28SS*.  trans57.467.3-175.4-62.2-179.8178.9178.70112.8I442K440-I442 PolarHBondContact O-N 3.41Å
441A75.9Confident82Confident23 Ų2354.3 Ų54.319%0.1929%0.286CS..  trans-58.9-32.7-179.100000113.2F396 F433 D434 V443F396-A441 HydrophobicContact CD1-CB 4.35Å; F433-A441 CarbonylContact C-O 3.56Å; F433-A441 WeakPolarHBondContact CA-O 3.41Å; F433-A441 HydrophobicContact CD1-CB 3.97Å; D434-A441 PolarHBondContact N-O 3.11Å; A441-V443 PolarHBondContact O-N 3.1Å
442I84.3Confident82.2Confident84 Ų8454.4 Ų54.443%0.43129%0.291SS..EExtended strand (participates in β ladder)trans-79.1116.8178.4-59169000109.5Y431 F432 F433 K440Y431-I442 HydrophobicContact CD1-CD1 4.22Å; Y431-I442 HydrophobicContact CD1-CG2 4.24Å; Y431-I442 HydrophobicContact CE1-CD1 4.27Å; F432-I442 CarbonylContact O-C 3.58Å; F432-I442 WeakPolarHBondContact O-CA 3.28Å; F433-I442 HydrophobicContact CD1-CG1 3.87Å; F433-I442 HydrophobicContact CE1-CB 4.45Å; F433-I442 HydrophobicContact CE1-CD1 4.18Å; F433-I442 HydrophobicContact CE1-CG1 3.31Å; F433-I442 HydrophobicContact CZ-CG1 4.03Å; K440-I442 PolarHBondContact O-N 3.41Å
443V83.1Confident82.4Confident27 Ų2754.4 Ų54.416%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-87.9-44.2179.7177.60000110.9L151 F432 D434 A441L151-V443 HydrophobicContact CD2-CG2 3.89Å; L151-V443 HydrophobicContact CG-CG1 4.25Å; L151-V443 HydrophobicContact CG-CG2 4.47Å; F432-V443 HydrophobicContact CB-CB 4.12Å; F432-V443 PolarHBondContact O-N 2.71Å; D434-V443 HydrophobicContact CB-CG2 3.6Å; A441-V443 PolarHBondContact O-N 3.1Å
444N85.4Confident82.8Confident41 Ų4154.7 Ų54.722%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-152.7158.6-178.5-162.44.7000110.6Y155 F432Y155-N444 PolarHBondContact O-ND2 3.07Å; F432-N444 HydrophobicContact CB-CB 4.08Å; F432-N444 HydrophobicContact CD2-CB 3.91Å; F432-N444 HydrophobicContact CG-CB 4.07Å; F432-N444 PolarHBondContact N-O 3.45Å
445K89.9Confident83.4Confident76 Ų7654.5 Ų54.533%0.3329%0.291SS..EExtended strand (participates in β ladder)trans-137.9121.4177.1-177178-177.4169.80109.4D427 C429 V430 Y431 Q447D427-K445 IonicContact OD2-NZ 2.95Å; C429-K445 HydrophobicContact CB-CD 4.43Å; C429-K445 HydrophobicContact CB-CG 4.19Å; C429-K445 WeakPolarHBondContact SG-CE 3.48Å; C429-K445 PolarHBondContact SG-NZ 3.3Å; V430-K445 CarbonylContact O-C 3.54Å; V430-K445 WeakPolarHBondContact O-CA 3.41Å; Y431-K445 HydrophobicContact CD1-CD 4.45Å; Y431-K445 HydrophobicContact CD1-CG 4.28Å; Y431-K445 HydrophobicContact CE1-CD 3.71Å; Y431-K445 HydrophobicContact CE1-CG 3.99Å; Y431-K445 VanDerWaalsContact OH-CE 3.28Å; Y431-K445 WeakPolarHBondContact OH-CE 3.48Å; Y431-K445 PolarHBondContact OH-NZ 3.44Å; K445-Q447 HydrophobicContact CD-CG 4.39Å; K445-Q447 VanDerWaalsContact CE-NE2 3.27Å; K445-Q447 HydrophobicContact CG-CG 4.21Å
446L89.1Confident84Confident16 Ų1654.2 Ų54.28%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-100.4135.6172.2-52173.6000109.5F157 C429 V430 F432 L465 W477F157-L446 HydrophobicContact CB-CD2 4.04Å; F157-L446 HydrophobicContact CD2-CD1 4.02Å; F157-L446 HydrophobicContact CD2-CD2 3.97Å; F157-L446 HydrophobicContact CD2-CG 4.5Å; F157-L446 HydrophobicContact CE2-CD1 4.2Å; F157-L446 HydrophobicContact CG-CD1 4.21Å; F157-L446 HydrophobicContact CG-CD2 4.14Å; C429-L446 WeakPolarHBondContact CA-O 3.46Å; V430-L446 HydrophobicContact CB-CB 4.15Å; V430-L446 PolarHBondContact N-O 3.25Å; V430-L446 PolarHBondContact O-N 3.49Å; F432-L446 HydrophobicContact CE2-CD1 3.73Å; F432-L446 HydrophobicContact CE2-CG 3.87Å; F432-L446 HydrophobicContact CZ-CD1 4.08Å; L446-L465 HydrophobicContact CD1-CD2 3.84Å; L446-W477 HydrophobicContact CB-CE3 4.43Å; L446-W477 HydrophobicContact CB-CH2 4.08Å; L446-W477 HydrophobicContact CB-CZ2 4.18Å; L446-W477 HydrophobicContact CB-CZ3 4.2Å; L446-W477 HydrophobicContact CD1-CB 4.48Å; L446-W477 HydrophobicContact CD1-CD2 3.87Å; L446-W477 HydrophobicContact CD1-CE3 4.2Å; L446-W477 HydrophobicContact CD1-CG 3.98Å; L446-W477 HydrophobicContact CD2-CE3 4.5Å
447Q89.6Confident84.9Confident86 Ų8651 Ų5140%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-126.8132.1180-58.7-169.3-49.100109.2K445K445-Q447 HydrophobicContact CD-CG 4.39Å; K445-Q447 VanDerWaalsContact CE-NE2 3.27Å; K445-Q447 HydrophobicContact CG-CG 4.21Å
448G82.6Confident85.8Confident14 Ų1445 Ų4514%0.14425%0.253CS..  trans178.8-24.7-179.300000115.2
449H90Very high87.1Confident21 Ų2138.7 Ų38.710%0.09722%0.22CC..  trans-76148179.7-73.3-79.5000112.5V453 S467 D469 M473H449-V453 HydrophobicContact CB-CG2 3.95Å; H449-S467 PolarHBondContact CE1-O 3.41Å; H449-S467 WeakPolarHBondContact NE2-CB 3.29Å; H449-S467 PolarHBondContact NE2-OG 2.83Å; H449-D469 HydrophobicContact CB-CB 4.12Å; H449-D469 IonicContact CE1-OD2 3.58Å; H449-D469 IonicContact CG-OD2 3.94Å; H449-D469 WeakPolarHBondContact ND1-CB 3.3Å; H449-D469 IonicContact ND1-OD2 2.69Å; H449-D469 PolarHBondContact ND1-OD2 3.11Å; H449-M473 PolarHBondContact CE1-O 3.37Å
450G85Confident88.3Confident53 Ų5336.3 Ų36.355%0.54621%0.207SC..SBendtrans-87.5-14.9178.100000113.8
451G89.6Confident89.2Confident12 Ų1231.5 Ų31.512%0.12419%0.189CC..SBendtrans-143.5-176.4177.500000112.5G428 V453G428-G451 VanDerWaalsContact CA-O 3.23Å; G428-G451 WeakPolarHBondContact CA-O 3.5Å; G451-V453 PolarHBondContact O-N 3.5Å
452P95.2Very high89.6Confident32 Ų3231.7 Ų31.721%0.20819%0.186CC..  trans-46.1128.5176.3-33.135.6000113.9Q403 E426 L454 D469 S470Q403-P452 HydrophobicContact CG-CB 4.32Å; Q403-P452 HydrophobicContact CG-CG 4.48Å; E426-P452 HydrophobicContact CB-CB 4.48Å; P452-L454 HydrophobicContact CB-CD2 4.4Å; P452-L454 PolarHBondContact O-N 3.42Å; P452-D469 CarbonylContact O-C 3.6Å; P452-D469 WeakPolarHBondContact O-CA 3.44Å; P452-D469 VanDerWaalsContact O-CB 3.24Å; P452-D469 WeakPolarHBondContact O-CB 3.31Å; P452-S470 WeakPolarHBondContact CD-OG 3.15Å; P452-S470 PolarHBondContact O-N 3.49Å
453V96.6Very high89.7Confident0 Ų028.7 Ų28.70%017%0.173CC..EExtended strand (participates in β ladder)trans-81.9116.3174.3-178.10000109S425 V430 H449 G451 V456 A468S425-V453 PolarHBondContact O-N 3.38Å; V430-V453 HydrophobicContact CG2-CG1 4.08Å; V430-V453 HydrophobicContact CG2-CG2 4.35Å; H449-V453 HydrophobicContact CB-CG2 3.95Å; G451-V453 PolarHBondContact O-N 3.5Å; V453-V456 HydrophobicContact CG1-CG1 4.22Å; V453-A468 CarbonylContact C-O 3.09Å; V453-A468 WeakPolarHBondContact CA-O 3.4Å; V453-A468 WeakPolarHBondContact CG1-O 3.31Å
454L96.3Very high90.1Very high6 Ų627.9 Ų27.93%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-91.6-40.6-174.7-58.2-177.2000112.2A171 Q403 V405 H406 P452 A468A171-L454 HydrophobicContact CB-CD1 3.88Å; Q403-L454 HydrophobicContact CB-CD2 3.87Å; Q403-L454 HydrophobicContact CG-CD2 4.44Å; V405-L454 CarbonylContact C-O 3.59Å; V405-L454 WeakPolarHBondContact CA-O 3.47Å; H406-L454 PolarHBondContact CD2-O 3.07Å; H406-L454 PolarHBondContact N-O 3.35Å; P452-L454 HydrophobicContact CB-CD2 4.4Å; P452-L454 PolarHBondContact O-N 3.42Å; L454-A468 PolarHBondContact N-O 3.27Å
455D96.8Very high90.5Very high0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-141.5157.3-178.6-155.2-1.1000113.5R174 L175 H406 S467 A468R174-D455 VanDerWaalsContact CA-OD2 3.29Å; R174-D455 WeakPolarHBondContact CA-OD2 3.31Å; R174-D455 VanDerWaalsContact CD-OD2 3.23Å; R174-D455 WeakPolarHBondContact CD-OD2 3.14Å; R174-D455 WeakPolarHBondContact CG-OD2 3.45Å; R174-D455 IonicContact CZ-OD2 3.71Å; R174-D455 IonicContact NE-OD2 3.63Å; R174-D455 IonicContact NH1-OD1 3.34Å; R174-D455 PolarHBondContact NH1-OD1 3.13Å; R174-D455 IonicContact NH1-OD2 3.63Å; R174-D455 PolarHBondContact NH1-OD2 3.47Å; L175-D455 HydrophobicContact CB-CB 4.28Å; L175-D455 PolarHBondContact N-OD2 3.41Å; H406-D455 HydrophobicContact CB-CB 4.15Å; H406-D455 WeakPolarHBondContact CB-OD1 3.46Å; H406-D455 IonicContact CG-OD1 2.78Å; D455-S467 CarbonylContact O-C 3.54Å; D455-S467 VanDerWaalsContact O-CA 3.27Å; D455-S467 WeakPolarHBondContact O-CA 3.31Å; D455-A468 PolarHBondContact N-O 3.06Å; D455-A468 PolarHBondContact O-N 3.36Å
456V96.3Very high90.8Very high1 Ų122.3 Ų22.31%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-142.7131.6-177.8-730000109.9H406 I408 V422 V430 V453 L465 A466H406-V456 WeakPolarHBondContact O-CG2 3.24Å; I408-V456 WeakPolarHBondContact CD1-O 3.44Å; I408-V456 HydrophobicContact CG1-CG2 4.24Å; V422-V456 HydrophobicContact CG1-CB 3.91Å; V422-V456 HydrophobicContact CG1-CG2 3.66Å; V430-V456 HydrophobicContact CG1-CG1 4.03Å; V430-V456 HydrophobicContact CG2-CG1 4.18Å; V453-V456 HydrophobicContact CG1-CG1 4.22Å; V456-L465 HydrophobicContact CB-CD1 4.44Å; V456-A466 CarbonylContact C-O 3.54Å; V456-A466 VanDerWaalsContact CA-O 3.3Å; V456-A466 WeakPolarHBondContact CA-O 3.13Å
457S95.2Very high91.2Very high12 Ų1221.5 Ų21.58%0.08414%0.137CC..EExtended strand (participates in β ladder)trans-138.2134.8177.1-171.20000112L175 F177 L465 A466L175-S457 WeakPolarHBondContact O-CB 3.49Å; F177-S457 WeakPolarHBondContact CD2-O 3.4Å; F177-S457 VanDerWaalsContact CE2-O 3.29Å; F177-S457 WeakPolarHBondContact CE2-O 3.32Å; F177-S457 PolarHBondContact N-OG 3.36Å; S457-L465 WeakPolarHBondContact O-CD1 3.06Å; S457-A466 PolarHBondContact N-O 3.26Å; S457-A466 PolarHBondContact O-N 2.99Å
458F92.2Very high91.5Very high20 Ų2017.4 Ų17.49%0.08812%0.118CC..EExtended strand (participates in β ladder)trans-86.7151.8165.8-82.5-77.8000110.8F157 F177 I408 C410 P411 V422 F432 L464 L465F157-F458 HydrophobicContact CZ-CE1 4.21Å; F157-F458 HydrophobicContact CZ-CZ 4.5Å; F177-F458 WeakPolarHBondContact CB-O 3.3Å; F177-F458 WeakPolarHBondContact CD2-O 3.41Å; I408-F458 HydrophobicContact CD1-CB 4.36Å; I408-F458 HydrophobicContact CD1-CD2 3.55Å; I408-F458 HydrophobicContact CD1-CE2 4.34Å; I408-F458 HydrophobicContact CD1-CG 4.39Å; I408-F458 HydrophobicContact CG1-CD2 4.32Å; C410-F458 HydrophobicContact CB-CE2 4.25Å; P411-F458 HydrophobicContact CG-CB 3.94Å; P411-F458 HydrophobicContact CG-CD1 4.25Å; P411-F458 HydrophobicContact CG-CD2 4.28Å; P411-F458 HydrophobicContact CG-CG 3.9Å; V422-F458 HydrophobicContact CB-CE2 4.16Å; V422-F458 HydrophobicContact CG1-CE2 3.9Å; F432-F458 HydrophobicContact CE1-CZ 4Å; F458-L464 WeakPolarHBondContact CD1-O 3.19Å; F458-L465 HydrophobicContact CD1-CB 4.22Å; F458-L465 HydrophobicContact CD1-CD1 4.26Å; F458-L465 HydrophobicContact CD2-CD1 4.03Å; F458-L465 HydrophobicContact CE1-CB 3.91Å; F458-L465 HydrophobicContact CE1-CD1 4.12Å; F458-L465 HydrophobicContact CE1-CG 4.46Å; F458-L465 HydrophobicContact CE2-CD1 3.86Å; F458-L465 HydrophobicContact CG-CD1 4.21Å; F458-L465 HydrophobicContact CZ-CB 4.36Å; F458-L465 HydrophobicContact CZ-CD1 3.9Å; F458-L465 HydrophobicContact CZ-CD2 4.33Å; F458-L465 HydrophobicContact CZ-CG 4.44Å
459N91.2Very high92.1Very high4 Ų416.8 Ų16.82%0.02111%0.111CC..  trans-84166.1167.573.5-22.8000111.5F177 K182 D461 E462 S463 L464F177-N459 HydrophobicContact CB-CB 4.31Å; F177-N459 HydrophobicContact CD1-CB 3.53Å; F177-N459 HydrophobicContact CD2-CB 3.96Å; F177-N459 HydrophobicContact CE1-CB 3.7Å; F177-N459 HydrophobicContact CE2-CB 4.08Å; F177-N459 HydrophobicContact CG-CB 3.68Å; F177-N459 HydrophobicContact CZ-CB 3.98Å; K182-N459 PolarHBondContact O-ND2 3.08Å; N459-D461 VanDerWaalsContact C-N 3.29Å; N459-D461 PolarHBondContact ND2-OD1 3.35Å; N459-D461 PolarHBondContact O-N 2.95Å; N459-D461 PolarHBondContact OD1-OD1 3.45Å; N459-E462 PolarHBondContact O-N 2.92Å; N459-E462 VanDerWaalsContact O-N 3.08Å; N459-E462 VanDerWaalsContact OD1-CA 3.27Å; N459-E462 WeakPolarHBondContact OD1-CA 3.44Å; N459-E462 PolarHBondContact OD1-N 3.19Å; N459-S463 PolarHBondContact ND2-OG 3.01Å; N459-S463 PolarHBondContact OD1-N 3.06Å; N459-L464 HydrophobicContact CB-CB 4.34Å; N459-L464 PolarHBondContact N-O 2.93Å; N459-L464 VanDerWaalsContact N-O 3.16Å; N459-L464 PolarHBondContact OD1-N 3.47Å; N459-L464 PolarHBondContact OD1-O 3.49Å; N459-L464 VanDerWaalsContact OD1-O 3.06Å
460C84.8Confident92.4Very high66 Ų6617.4 Ų17.445%0.44612%0.118SC..THydrogen-bonded Turntrans-63.4-29.1-172.464.60000114.6N179 K182N179-C460 VanDerWaalsContact O-CB 3.27Å; N179-C460 WeakPolarHBondContact O-CB 3.49Å; K182-C460 PolarHBondContact N-SG 3.33Å; K182-C460 VanDerWaalsContact N-SG 3.41Å
461D83.3Confident92.8Very high67 Ų6717.5 Ų17.536%0.35811%0.108SC..THydrogen-bonded Turntrans-955.7177.278.6-6.1000114K182 N459 S463K182-D461 HydrophobicContact CD-CB 4.49Å; K182-D461 WeakPolarHBondContact CD-OD2 3.25Å; K182-D461 IonicContact NZ-OD2 3.53Å; N459-D461 VanDerWaalsContact C-N 3.29Å; N459-D461 PolarHBondContact ND2-OD1 3.35Å; N459-D461 PolarHBondContact O-N 2.95Å; N459-D461 PolarHBondContact OD1-OD1 3.45Å; D461-S463 VanDerWaalsContact CG-OG 3.31Å; D461-S463 PolarHBondContact O-N 3.35Å; D461-S463 VanDerWaalsContact OD1-CB 3.24Å; D461-S463 WeakPolarHBondContact OD1-CB 3.3Å; D461-S463 PolarHBondContact OD1-N 3.36Å; D461-S463 VanDerWaalsContact OD1-N 3.08Å; D461-S463 PolarHBondContact OD1-OG 3.38Å; D461-S463 PolarHBondContact OD2-OG 3.39Å
462E84.8Confident92.8Very high28 Ų2817 Ų1713%0.13110%0.103CC..SBendtrans58.614.7178.4-32.6-175162.400115.6P411 L412 N459 R479P411-E462 WeakPolarHBondContact CA-OE1 3.33Å; P411-E462 HydrophobicContact CB-CG 3.74Å; P411-E462 WeakPolarHBondContact CB-OE1 3.41Å; P411-E462 HydrophobicContact CG-CB 3.82Å; P411-E462 VanDerWaalsContact CG-CD 3.45Å; P411-E462 HydrophobicContact CG-CG 3.35Å; P411-E462 WeakPolarHBondContact CG-OE1 3.41Å; L412-E462 VanDerWaalsContact C-OE1 3.26Å; L412-E462 PolarHBondContact N-OE1 3.11Å; L412-E462 VanDerWaalsContact N-OE1 3.11Å; N459-E462 PolarHBondContact O-N 2.92Å; N459-E462 VanDerWaalsContact O-N 3.08Å; N459-E462 VanDerWaalsContact OD1-CA 3.27Å; N459-E462 WeakPolarHBondContact OD1-CA 3.44Å; N459-E462 PolarHBondContact OD1-N 3.19Å; E462-R479 VanDerWaalsContact O-CD 3.3Å; E462-R479 WeakPolarHBondContact O-CD 3.17Å; E462-R479 PolarHBondContact O-NH1 3.31Å; E462-R479 IonicContact OE2-NH1 3.71Å
463S86.3Confident92.8Very high21 Ų2117.2 Ų17.215%0.14710%0.102CC..SBendtrans-82.7-20.7179.769.20000113N459 D461 R479N459-S463 PolarHBondContact ND2-OG 3.01Å; N459-S463 PolarHBondContact OD1-N 3.06Å; D461-S463 VanDerWaalsContact CG-OG 3.31Å; D461-S463 PolarHBondContact O-N 3.35Å; D461-S463 VanDerWaalsContact OD1-CB 3.24Å; D461-S463 WeakPolarHBondContact OD1-CB 3.3Å; D461-S463 PolarHBondContact OD1-N 3.36Å; D461-S463 VanDerWaalsContact OD1-N 3.08Å; D461-S463 PolarHBondContact OD1-OG 3.38Å; D461-S463 PolarHBondContact OD2-OG 3.39Å; S463-R479 VanDerWaalsContact O-CB 3.24Å; S463-R479 WeakPolarHBondContact O-CB 3.49Å; S463-R479 PolarHBondContact O-N 3.33Å
464L91.4Very high92.8Very high9 Ų917.2 Ų17.25%0.04710%0.102CC..EExtended strand (participates in β ladder)trans-128.7142.6-178.1-57.3175.8000111H161 F177 L199 F458 N459 V476 W477 R478H161-L464 HydrophobicContact CB-CD2 4.48Å; F177-L464 HydrophobicContact CZ-CB 4.04Å; L199-L464 HydrophobicContact CD1-CD1 3.39Å; F458-L464 WeakPolarHBondContact CD1-O 3.19Å; N459-L464 HydrophobicContact CB-CB 4.34Å; N459-L464 PolarHBondContact N-O 2.93Å; N459-L464 VanDerWaalsContact N-O 3.16Å; N459-L464 PolarHBondContact OD1-N 3.47Å; N459-L464 PolarHBondContact OD1-O 3.49Å; N459-L464 VanDerWaalsContact OD1-O 3.06Å; L464-V476 HydrophobicContact CB-CG1 4.26Å; L464-V476 HydrophobicContact CD1-CG1 4.24Å; L464-V476 HydrophobicContact CD2-CG1 4.24Å; L464-W477 WeakPolarHBondContact CA-O 3.48Å; L464-R478 HydrophobicContact CD2-CB 4.25Å; L464-R478 HydrophobicContact CD2-CG 3.99Å
465L94.3Very high92.7Very high0 Ų016.9 Ų16.90%010%0.1CC..EExtended strand (participates in β ladder)trans-117.4139.2166172.866.7000107F157 V422 V430 F432 L446 V456 S457 F458 V476 W477F157-L465 HydrophobicContact CE1-CB 3.58Å; F157-L465 HydrophobicContact CE1-CD2 4.28Å; F157-L465 HydrophobicContact CZ-CB 3.77Å; F157-L465 HydrophobicContact CZ-CD2 3.86Å; F157-L465 HydrophobicContact CZ-CG 4.49Å; V422-L465 HydrophobicContact CG1-CD1 4.26Å; V422-L465 HydrophobicContact CG2-CD2 4.4Å; V430-L465 HydrophobicContact CG1-CD2 4.34Å; F432-L465 HydrophobicContact CE2-CD2 4.25Å; F432-L465 HydrophobicContact CZ-CD2 3.6Å; L446-L465 HydrophobicContact CD1-CD2 3.84Å; V456-L465 HydrophobicContact CB-CD1 4.44Å; S457-L465 WeakPolarHBondContact O-CD1 3.06Å; F458-L465 HydrophobicContact CD1-CB 4.22Å; F458-L465 HydrophobicContact CD1-CD1 4.26Å; F458-L465 HydrophobicContact CD2-CD1 4.03Å; F458-L465 HydrophobicContact CE1-CB 3.91Å; F458-L465 HydrophobicContact CE1-CD1 4.12Å; F458-L465 HydrophobicContact CE1-CG 4.46Å; F458-L465 HydrophobicContact CE2-CD1 3.86Å; F458-L465 HydrophobicContact CG-CD1 4.21Å; F458-L465 HydrophobicContact CZ-CB 4.36Å; F458-L465 HydrophobicContact CZ-CD1 3.9Å; F458-L465 HydrophobicContact CZ-CD2 4.33Å; F458-L465 HydrophobicContact CZ-CG 4.44Å; L465-V476 CarbonylContact O-C 3.52Å; L465-V476 WeakPolarHBondContact O-CA 3.46Å; L465-W477 HydrophobicContact CB-CB 4.29Å; L465-W477 PolarHBondContact N-O 3.5Å; L465-W477 VanDerWaalsContact N-O 3.09Å; L465-W477 VanDerWaalsContact O-CD1 3.31Å; L465-W477 PolarHBondContact O-N 3.3Å
466A96.3Very high92.6Very high0 Ų016.9 Ų16.90%010%0.1CC..EExtended strand (participates in β ladder)trans-116.9144.2170.100000109.2L175 F177 L185 V456 S457 I475 V476L175-A466 HydrophobicContact CD1-CB 4.17Å; L175-A466 HydrophobicContact CD2-CB 3.43Å; L175-A466 VanDerWaalsContact CD2-CB 3.43Å; L175-A466 HydrophobicContact CG-CB 4.4Å; F177-A466 HydrophobicContact CD2-CB 4.32Å; F177-A466 HydrophobicContact CE2-CB 3.43Å; F177-A466 VanDerWaalsContact CE2-CB 3.43Å; F177-A466 HydrophobicContact CZ-CB 3.91Å; L185-A466 HydrophobicContact CD1-CB 3.99Å; L185-A466 HydrophobicContact CD2-CB 3.87Å; V456-A466 CarbonylContact C-O 3.54Å; V456-A466 VanDerWaalsContact CA-O 3.3Å; V456-A466 WeakPolarHBondContact CA-O 3.13Å; S457-A466 PolarHBondContact N-O 3.26Å; S457-A466 PolarHBondContact O-N 2.99Å; A466-I475 CarbonylContact C-O 3.56Å; A466-I475 VanDerWaalsContact CA-O 3.29Å; A466-I475 WeakPolarHBondContact CA-O 3.45Å; A466-V476 HydrophobicContact CB-CG2 4.36Å
467S97.1Very high92.4Very high0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-136.1146.5174.856.10000110.4H449 D455 V474 I475 W477H449-S467 PolarHBondContact CE1-O 3.41Å; H449-S467 WeakPolarHBondContact NE2-CB 3.29Å; H449-S467 PolarHBondContact NE2-OG 2.83Å; D455-S467 CarbonylContact O-C 3.54Å; D455-S467 VanDerWaalsContact O-CA 3.27Å; D455-S467 WeakPolarHBondContact O-CA 3.31Å; S467-V474 CarbonylContact O-C 3.57Å; S467-V474 WeakPolarHBondContact O-CA 3.31Å; S467-I475 PolarHBondContact N-O 3.34Å; S467-I475 PolarHBondContact O-N 3.15Å; S467-W477 PolarHBondContact OG-NE1 3.37Å
468A97Very high92.2Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-125.5148-177.800000111V172 L175 V453 L454 D455 M473 V474V172-A468 HydrophobicContact CB-CB 3.91Å; V172-A468 HydrophobicContact CG1-CB 3.44Å; V172-A468 VanDerWaalsContact CG1-CB 3.44Å; L175-A468 HydrophobicContact CB-CB 4.05Å; L175-A468 HydrophobicContact CD1-CB 4.09Å; V453-A468 CarbonylContact C-O 3.09Å; V453-A468 WeakPolarHBondContact CA-O 3.4Å; V453-A468 WeakPolarHBondContact CG1-O 3.31Å; L454-A468 PolarHBondContact N-O 3.27Å; D455-A468 PolarHBondContact N-O 3.06Å; D455-A468 PolarHBondContact O-N 3.36Å; A468-M473 WeakPolarHBondContact CA-O 3.46Å; A468-V474 HydrophobicContact CB-CG2 4.14Å
469D95.6Very high91.7Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-121.3173.4177.869.628000115V172 H449 P452 T471 G472 M473V172-D469 PolarHBondContact N-O 3.43Å; V172-D469 VanDerWaalsContact N-O 3.14Å; H449-D469 HydrophobicContact CB-CB 4.12Å; H449-D469 IonicContact CE1-OD2 3.58Å; H449-D469 IonicContact CG-OD2 3.94Å; H449-D469 WeakPolarHBondContact ND1-CB 3.3Å; H449-D469 IonicContact ND1-OD2 2.69Å; H449-D469 PolarHBondContact ND1-OD2 3.11Å; P452-D469 CarbonylContact O-C 3.6Å; P452-D469 WeakPolarHBondContact O-CA 3.44Å; P452-D469 VanDerWaalsContact O-CB 3.24Å; P452-D469 WeakPolarHBondContact O-CB 3.31Å; D469-T471 PolarHBondContact O-N 3.29Å; D469-T471 WeakPolarHBondContact OD1-CA 3.41Å; D469-T471 PolarHBondContact OD1-N 3.17Å; D469-T471 PolarHBondContact OD1-OG1 3.44Å; D469-T471 PolarHBondContact OD2-OG1 2.93Å; D469-G472 PolarHBondContact O-N 3.29Å; D469-G472 PolarHBondContact OD1-N 2.87Å; D469-M473 PolarHBondContact N-O 3.49Å; D469-M473 VanDerWaalsContact N-O 3.08Å; D469-M473 PolarHBondContact OD1-N 3.04Å; D469-M473 WeakPolarHBondContact OD2-CB 3.37Å
470S94.9Very high90.7Very high34 Ų3426.4 Ų26.424%0.23814%0.136CC..THydrogen-bonded Turntrans-70.3-8.9177.972.30000114.4A171 P452A171-S470 VanDerWaalsContact CA-O 3.31Å; A171-S470 WeakPolarHBondContact CA-O 3.49Å; A171-S470 WeakPolarHBondContact CB-O 3.32Å; A171-S470 PolarHBondContact N-O 2.99Å; P452-S470 WeakPolarHBondContact CD-OG 3.15Å; P452-S470 PolarHBondContact O-N 3.49Å
471T92.8Very high89.6Confident56 Ų5630 Ų3034%0.34415%0.147SC..THydrogen-bonded Turntrans-98.4-4.1177.865.60000112.6D169 D469D169-T471 PolarHBondContact N-O 2.87Å; D469-T471 PolarHBondContact O-N 3.29Å; D469-T471 WeakPolarHBondContact OD1-CA 3.41Å; D469-T471 PolarHBondContact OD1-N 3.17Å; D469-T471 PolarHBondContact OD1-OG1 3.44Å; D469-T471 PolarHBondContact OD2-OG1 2.93Å
472G91.6Very high88Confident2 Ų237.2 Ų37.22%0.02118%0.175CC..SBendtrans91.610.9178.100000115.1H167 S170 D469H167-G472 WeakPolarHBondContact O-CA 3.08Å; S170-G472 WeakPolarHBondContact O-CA 3.29Å; S170-G472 PolarHBondContact O-N 3.29Å; S170-G472 VanDerWaalsContact O-N 3.17Å; D469-G472 PolarHBondContact O-N 3.29Å; D469-G472 PolarHBondContact OD1-N 2.87Å
473M93.9Very high88.2Confident35 Ų3537.7 Ų37.717%0.17218%0.177CC..  trans-84.2128.3175.6-167.1-175.2178.800109.7I163 H449 A468 D469 I475I163-M473 HydrophobicContact CB-CE 4.43Å; I163-M473 HydrophobicContact CD1-CE 3.7Å; I163-M473 HydrophobicContact CG1-CE 4.06Å; I163-M473 HydrophobicContact CG2-CE 3.51Å; I163-M473 HydrophobicContact CG2-CG 3.83Å; H449-M473 PolarHBondContact CE1-O 3.37Å; A468-M473 WeakPolarHBondContact CA-O 3.46Å; D469-M473 PolarHBondContact N-O 3.49Å; D469-M473 VanDerWaalsContact N-O 3.08Å; D469-M473 PolarHBondContact OD1-N 3.04Å; D469-M473 WeakPolarHBondContact OD2-CB 3.37Å; M473-I475 HydrophobicContact CE-CD1 3.59Å; M473-I475 HydrophobicContact CE-CG1 3.72Å; M473-I475 HydrophobicContact CG-CG1 4.14Å; M473-I475 HydrophobicContact SD-CD1 4.03Å; M473-I475 HydrophobicContact SD-CG1 4.18Å
474V96.3Very high88.3Confident0 Ų038.5 Ų38.50%018%0.178CC..EExtended strand (participates in β ladder)trans-111.7120.6171.4172.50000108.6I163 F164 V172 L175 L185 C187 S467 A468I163-V474 CarbonylContact C-O 3.53Å; I163-V474 WeakPolarHBondContact CA-O 3.27Å; F164-V474 HydrophobicContact CB-CB 4.19Å; F164-V474 HydrophobicContact CD2-CG1 4.26Å; F164-V474 PolarHBondContact N-O 2.85Å; F164-V474 PolarHBondContact O-N 3.42Å; V172-V474 HydrophobicContact CG1-CG2 4.13Å; V172-V474 HydrophobicContact CG2-CG2 4.45Å; L175-V474 HydrophobicContact CD1-CB 4.21Å; L175-V474 HydrophobicContact CD1-CG1 3.3Å; L175-V474 HydrophobicContact CD1-CG2 3.87Å; L185-V474 HydrophobicContact CD2-CG1 4.24Å; C187-V474 HydrophobicContact CB-CG2 4.39Å; S467-V474 CarbonylContact O-C 3.57Å; S467-V474 WeakPolarHBondContact O-CA 3.31Å; A468-V474 HydrophobicContact CB-CG2 4.14Å
475I94.6Very high88.1Confident0 Ų040.2 Ų40.20%019%0.186CC..EExtended strand (participates in β ladder)trans-108.3125.3178.1-55.6-180000108.8M160 I163 A466 S467 M473 W477M160-I475 HydrophobicContact CB-CG2 4.42Å; M160-I475 HydrophobicContact CE-CD1 4.29Å; M160-I475 HydrophobicContact CG-CG2 3.9Å; I163-I475 HydrophobicContact CG1-CG1 4.4Å; A466-I475 CarbonylContact C-O 3.56Å; A466-I475 VanDerWaalsContact CA-O 3.29Å; A466-I475 WeakPolarHBondContact CA-O 3.45Å; S467-I475 PolarHBondContact N-O 3.34Å; S467-I475 PolarHBondContact O-N 3.15Å; M473-I475 HydrophobicContact CE-CD1 3.59Å; M473-I475 HydrophobicContact CE-CG1 3.72Å; M473-I475 HydrophobicContact CG-CG1 4.14Å; M473-I475 HydrophobicContact SD-CD1 4.03Å; M473-I475 HydrophobicContact SD-CG1 4.18Å; I475-W477 HydrophobicContact CB-CZ2 4.04Å; I475-W477 HydrophobicContact CD1-CH2 4.38Å; I475-W477 HydrophobicContact CD1-CZ2 3.96Å; I475-W477 HydrophobicContact CG2-CD2 3.84Å; I475-W477 VanDerWaalsContact CG2-CE2 3.43Å; I475-W477 HydrophobicContact CG2-CE3 4.32Å; I475-W477 HydrophobicContact CG2-CG 4.34Å; I475-W477 HydrophobicContact CG2-CH2 4.11Å; I475-W477 HydrophobicContact CG2-CZ2 3.59Å; I475-W477 HydrophobicContact CG2-CZ3 4.45Å
476V95.1Very high87.8Confident0 Ų042.5 Ų42.50%020%0.197CC..EExtended strand (participates in β ladder)trans-98.9121.3169-175.10000108.1H161 H162 F164 L185 L199 L464 L465 A466H161-V476 WeakPolarHBondContact CA-O 3.28Å; H161-V476 HydrophobicContact CB-CB 4.34Å; H161-V476 HydrophobicContact CB-CG1 4.1Å; H161-V476 VanDerWaalsContact CB-O 3.28Å; H161-V476 WeakPolarHBondContact CB-O 3.41Å; H161-V476 PolarHBondContact N-O 2.91Å; H162-V476 HydrophobicContact CB-CB 4.47Å; H162-V476 PolarHBondContact N-O 3.37Å; H162-V476 PolarHBondContact O-N 2.91Å; F164-V476 HydrophobicContact CD2-CG2 4.29Å; F164-V476 HydrophobicContact CE2-CG2 3.99Å; L185-V476 HydrophobicContact CD2-CG2 4.02Å; L199-V476 HydrophobicContact CD1-CG1 4.09Å; L199-V476 HydrophobicContact CD2-CG2 4.18Å; L464-V476 HydrophobicContact CB-CG1 4.26Å; L464-V476 HydrophobicContact CD1-CG1 4.24Å; L464-V476 HydrophobicContact CD2-CG1 4.24Å; L465-V476 CarbonylContact O-C 3.52Å; L465-V476 WeakPolarHBondContact O-CA 3.46Å; A466-V476 HydrophobicContact CB-CG2 4.36Å
477W92.8Very high87.2Confident10 Ų1045.2 Ų45.24%0.03821%0.209CC..EExtended strand (participates in β ladder)trans-99.5134.6179.6-49.788.2000109.9F157 M160 L446 L464 L465 S467 I475F157-W477 HydrophobicContact CD1-CB 3.5Å; F157-W477 HydrophobicContact CE1-CB 3.82Å; F157-W477 HydrophobicContact CG-CB 4.39Å; M160-W477 HydrophobicContact CE-CH2 3.59Å; M160-W477 HydrophobicContact CE-CZ3 3.75Å; M160-W477 HydrophobicContact CG-CE3 3.91Å; M160-W477 HydrophobicContact CG-CH2 4.22Å; M160-W477 HydrophobicContact CG-CZ3 3.64Å; L446-W477 HydrophobicContact CB-CE3 4.43Å; L446-W477 HydrophobicContact CB-CH2 4.08Å; L446-W477 HydrophobicContact CB-CZ2 4.18Å; L446-W477 HydrophobicContact CB-CZ3 4.2Å; L446-W477 HydrophobicContact CD1-CB 4.48Å; L446-W477 HydrophobicContact CD1-CD2 3.87Å; L446-W477 HydrophobicContact CD1-CE3 4.2Å; L446-W477 HydrophobicContact CD1-CG 3.98Å; L446-W477 HydrophobicContact CD2-CE3 4.5Å; L464-W477 WeakPolarHBondContact CA-O 3.48Å; L465-W477 HydrophobicContact CB-CB 4.29Å; L465-W477 PolarHBondContact N-O 3.5Å; L465-W477 VanDerWaalsContact N-O 3.09Å; L465-W477 VanDerWaalsContact O-CD1 3.31Å; L465-W477 PolarHBondContact O-N 3.3Å; S467-W477 PolarHBondContact OG-NE1 3.37Å; I475-W477 HydrophobicContact CB-CZ2 4.04Å; I475-W477 HydrophobicContact CD1-CH2 4.38Å; I475-W477 HydrophobicContact CD1-CZ2 3.96Å; I475-W477 HydrophobicContact CG2-CD2 3.84Å; I475-W477 VanDerWaalsContact CG2-CE2 3.43Å; I475-W477 HydrophobicContact CG2-CE3 4.32Å; I475-W477 HydrophobicContact CG2-CG 4.34Å; I475-W477 HydrophobicContact CG2-CH2 4.11Å; I475-W477 HydrophobicContact CG2-CZ2 3.59Å; I475-W477 HydrophobicContact CG2-CZ3 4.45Å
478R89.4Confident86.6Confident126 Ų12648.2 Ų48.248%0.47522%0.223SC..EExtended strand (participates in β ladder)trans-96128.8173.4-157.4179.2-161.21743.7110.3F157 A158 G159 H161 L464F157-R478 CarbonylContact C-O 3.58Å; F157-R478 WeakPolarHBondContact CA-O 3.45Å; F157-R478 WeakPolarHBondContact CD1-O 3.47Å; A158-R478 PolarHBondContact N-O 3.16Å; G159-R478 PolarHBondContact O-N 3Å; H161-R478 HydrophobicContact CB-CB 4.07Å; L464-R478 HydrophobicContact CD2-CB 4.25Å; L464-R478 HydrophobicContact CD2-CG 3.99Å
479R82.4Confident85.8Confident25 Ų2551.6 Ų51.69%0.09424%0.239CC..EExtended strand (participates in β ladder)trans-68.9146.4170.7-163.1172.6176.7-178.7-0.4111N154 A156 F157 M413 E462 S463 Q481N154-R479 PolarHBondContact O-NE 2.85Å; N154-R479 PolarHBondContact O-NH2 3.15Å; A156-R479 WeakPolarHBondContact O-CG 3.1Å; F157-R479 HydrophobicContact CD1-CB 4.48Å; F157-R479 HydrophobicContact CE1-CB 4.42Å; M413-R479 PolarHBondContact SD-NH2 2.72Å; E462-R479 VanDerWaalsContact O-CD 3.3Å; E462-R479 WeakPolarHBondContact O-CD 3.17Å; E462-R479 PolarHBondContact O-NH1 3.31Å; E462-R479 IonicContact OE2-NH1 3.71Å; S463-R479 VanDerWaalsContact O-CB 3.24Å; S463-R479 WeakPolarHBondContact O-CB 3.49Å; S463-R479 PolarHBondContact O-N 3.33Å; R479-Q481 PolarHBondContact O-N 3.3Å
480E71.3Confident85.1Confident75 Ų7555.6 Ų55.635%0.3526%0.257SS..  trans-73.8110172.5-163.7171.3-17200108.5T86 A156 A158T86-E480 PolarHBondContact OG1-OE1 2.79Å; A156-E480 PolarHBondContact O-N 2.95Å; A156-E480 VanDerWaalsContact O-N 3.13Å; A158-E480 HydrophobicContact CB-CB 4.13Å; A158-E480 HydrophobicContact CB-CG 4.39Å
481Q61.7Low84.3Confident143 Ų14357.4 Ų57.467%0.66826%0.259SS*.  trans-81.9127.7170.5-71-177.8-15.800107.8R479R479-Q481 PolarHBondContact O-N 3.3Å
482K49.5Very low83.5Confident217 Ų21757.5 Ų57.594%0.94325%0.251SS*.  trans-75.20170.5-80.9-170.9-178.9-178.60110.7E153E153-K482 IonicContact OE2-NZ 2.69Å; E153-K482 PolarHBondContact OE2-NZ 2.93Å; E153-K482 VanDerWaalsContact OE2-NZ 3.11Å

Retrieved 482 of 482 residues in 1129.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).