A0A077ZNS9_TRITR Loading...

SelA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNS9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 458 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
1M67.6Low85.8Confident151 Ų15187.9 Ų87.974%0.74447%0.467SS*.  0126.50-148.5179.2-75.100107.2I5 Q6 L9M1-I5 HydrophobicContact CG-CB 3.83Å; M1-I5 HydrophobicContact CG-CD1 4.38Å; M1-I5 HydrophobicContact CG-CG2 3.35Å; M1-I5 HydrophobicContact SD-CG2 3.6Å; M1-Q6 HydrophobicContact CB-CG 4.39Å; M1-Q6 HydrophobicContact CG-CG 4.46Å; M1-Q6 HydrophobicContact SD-CG 4.23Å; M1-L9 HydrophobicContact CE-CD1 4.41Å; M1-L9 HydrophobicContact SD-CD1 3.59Å; M1-L9 VanDerWaalsContact SD-CD1 3.59Å
2S81.1Confident86.1Confident52 Ų5282.6 Ų82.636%0.36444%0.439SS..  trans-66.5156.1-178.866.30000110.7E4 I5 Q6S2-E4 PolarHBondContact O-N 3.43Å; S2-I5 PolarHBondContact O-N 2.63Å; S2-I5 WeakPolarHBondContact OG-CD1 3.39Å; S2-I5 VanDerWaalsContact OG-CG1 3.29Å; S2-I5 WeakPolarHBondContact OG-CG1 3.22Å; S2-I5 PolarHBondContact OG-N 3.02Å; S2-Q6 PolarHBondContact O-N 3.49Å; S2-Q6 VanDerWaalsContact O-N 3.1Å
3K84.7Confident86.5Confident172 Ų17277.6 Ų77.675%0.74841%0.414SS*.Hα-helixtrans-56.5-32.9174.6-77.4-175.1176.7-179.30111.9Q6 N7K3-Q6 PolarHBondContact O-N 3.22Å; K3-N7 WeakPolarHBondContact O-CB 3.44Å; K3-N7 VanDerWaalsContact O-CG 3.22Å; K3-N7 PolarHBondContact O-N 3.36Å
4E85Confident86.9Confident148 Ų14876.5 Ų76.569%0.69242%0.415SS*.Hα-helixtrans-63.8-49.3176.2-67.2171.5177.900111.8S2 Q6 N7 I8S2-E4 PolarHBondContact O-N 3.43Å; E4-Q6 VanDerWaalsContact C-N 3.31Å; E4-Q6 PolarHBondContact O-N 3.27Å; E4-N7 PolarHBondContact O-N 2.85Å; E4-N7 VanDerWaalsContact O-N 3.16Å; E4-I8 WeakPolarHBondContact O-CG1 3.48Å; E4-I8 PolarHBondContact O-N 3.03Å
5I88Confident87.4Confident43 Ų4373.5 Ų73.522%0.22140%0.4CS..Hα-helixtrans-60.3-42.6177.1-67.2168.5000110.6M1 S2 N7 I8 L9 V46M1-I5 HydrophobicContact CG-CB 3.83Å; M1-I5 HydrophobicContact CG-CD1 4.38Å; M1-I5 HydrophobicContact CG-CG2 3.35Å; M1-I5 HydrophobicContact SD-CG2 3.6Å; S2-I5 PolarHBondContact O-N 2.63Å; S2-I5 WeakPolarHBondContact OG-CD1 3.39Å; S2-I5 VanDerWaalsContact OG-CG1 3.29Å; S2-I5 WeakPolarHBondContact OG-CG1 3.22Å; S2-I5 PolarHBondContact OG-N 3.02Å; I5-N7 VanDerWaalsContact C-N 3.34Å; I5-N7 PolarHBondContact O-N 3.42Å; I5-I8 PolarHBondContact O-N 3.1Å; I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.35Å; I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 WeakPolarHBondContact O-CG 3.34Å; I5-L9 PolarHBondContact O-N 3.48Å; I5-V46 HydrophobicContact CG2-CG1 3.95Å
6Q88.3Confident87.7Confident107 Ų10776.1 Ų76.150%0.541%0.414SS..Hα-helixtrans-61.8-40.9176.8-72.5-178.8-18.200112.3M1 S2 K3 E4 A10M1-Q6 HydrophobicContact CB-CG 4.39Å; M1-Q6 HydrophobicContact CG-CG 4.46Å; M1-Q6 HydrophobicContact SD-CG 4.23Å; S2-Q6 PolarHBondContact O-N 3.49Å; S2-Q6 VanDerWaalsContact O-N 3.1Å; K3-Q6 PolarHBondContact O-N 3.22Å; E4-Q6 VanDerWaalsContact C-N 3.31Å; E4-Q6 PolarHBondContact O-N 3.27Å; Q6-A10 VanDerWaalsContact O-CB 3.23Å; Q6-A10 WeakPolarHBondContact O-CB 3.48Å; Q6-A10 PolarHBondContact O-N 3.47Å
7N89.2Confident88.1Confident115 Ų11575.1 Ų75.162%0.61541%0.41SS*.Hα-helixtrans-64.8-40.6177.4-74.2-12.6000112.2K3 E4 I5 A10 S11K3-N7 WeakPolarHBondContact O-CB 3.44Å; K3-N7 VanDerWaalsContact O-CG 3.22Å; K3-N7 PolarHBondContact O-N 3.36Å; E4-N7 PolarHBondContact O-N 2.85Å; E4-N7 VanDerWaalsContact O-N 3.16Å; I5-N7 VanDerWaalsContact C-N 3.34Å; I5-N7 PolarHBondContact O-N 3.42Å; N7-A10 PolarHBondContact O-N 3.47Å; N7-S11 PolarHBondContact O-N 3.31Å
8I89.5Confident88.5Confident14 Ų1470.9 Ų70.97%0.07239%0.388CS..Hα-helixtrans-68.7-45.5177.8-59.6162000110.4E4 I5 A10 S11 V46 K52 T53 I55E4-I8 WeakPolarHBondContact O-CG1 3.48Å; E4-I8 PolarHBondContact O-N 3.03Å; I5-I8 PolarHBondContact O-N 3.1Å; I8-A10 VanDerWaalsContact C-N 3.28Å; I8-A10 PolarHBondContact O-N 2.9Å; I8-S11 WeakPolarHBondContact O-CB 3.48Å; I8-S11 PolarHBondContact O-N 3.35Å; I8-S11 VanDerWaalsContact O-N 3.08Å; I8-S11 PolarHBondContact O-OG 3.43Å; I8-V46 HydrophobicContact CB-CG1 3.94Å; I8-V46 HydrophobicContact CB-CG2 4.5Å; I8-V46 HydrophobicContact CG2-CB 4.37Å; I8-V46 HydrophobicContact CG2-CG1 3.84Å; I8-V46 HydrophobicContact CG2-CG2 3.5Å; I8-K52 WeakPolarHBondContact CD1-O 3.42Å; I8-T53 WeakPolarHBondContact CG2-O 3.31Å; I8-I55 HydrophobicContact CG2-CD1 4.36Å; I8-I55 HydrophobicContact CG2-CG1 4.41Å
9L89.8Confident88.7Confident43 Ų4368.5 Ų68.523%0.22537%0.374CS..Hα-helixtrans-62.5-35.8176.9-72.1174.9000112.4M1 I5 S11 L12 R43 V46 V47M1-L9 HydrophobicContact CE-CD1 4.41Å; M1-L9 HydrophobicContact SD-CD1 3.59Å; M1-L9 VanDerWaalsContact SD-CD1 3.59Å; I5-L9 HydrophobicContact CG2-CD1 3.92Å; I5-L9 HydrophobicContact CG2-CG 4.35Å; I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 WeakPolarHBondContact O-CG 3.34Å; I5-L9 PolarHBondContact O-N 3.48Å; L9-S11 PolarHBondContact O-N 3.46Å; L9-L12 HydrophobicContact CD2-CD1 4.3Å; L9-L12 WeakPolarHBondContact O-CB 3.4Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-R43 HydrophobicContact CD2-CB 4.27Å; L9-R43 HydrophobicContact CD2-CG 4.05Å; L9-V46 HydrophobicContact CD2-CB 3.85Å; L9-V46 HydrophobicContact CD2-CG1 3.72Å; L9-V46 HydrophobicContact CG-CB 4.35Å; L9-V46 HydrophobicContact CG-CG1 3.66Å; L9-V47 HydrophobicContact CD1-CG2 4.5Å
10A90.4Very high89Confident85 Ų8574.3 Ų74.370%0.70240%0.395SS*.Hα-helixtrans-69.4-17.9176.700000113.2Q6 N7 I8 L12Q6-A10 VanDerWaalsContact O-CB 3.23Å; Q6-A10 WeakPolarHBondContact O-CB 3.48Å; Q6-A10 PolarHBondContact O-N 3.47Å; N7-A10 PolarHBondContact O-N 3.47Å; I8-A10 VanDerWaalsContact C-N 3.28Å; I8-A10 PolarHBondContact O-N 2.9Å; A10-L12 VanDerWaalsContact C-N 3.29Å
11S89.7Confident89.2Confident37 Ų3774.9 Ų74.926%0.25940%0.396SS..THydrogen-bonded Turntrans-80.4-8.7176.189.40000113.5N7 I8 L9 P13 V54 I55N7-S11 PolarHBondContact O-N 3.31Å; I8-S11 WeakPolarHBondContact O-CB 3.48Å; I8-S11 PolarHBondContact O-N 3.35Å; I8-S11 VanDerWaalsContact O-N 3.08Å; I8-S11 PolarHBondContact O-OG 3.43Å; L9-S11 PolarHBondContact O-N 3.46Å; S11-P13 WeakPolarHBondContact O-CD 3.43Å; S11-V54 WeakPolarHBondContact OG-CG1 3.46Å; S11-I55 PolarHBondContact OG-N 3.38Å
12L89.9Confident90.3Very high24 Ų2468.2 Ų68.213%0.12636%0.363CS..SBendtrans-67.5123.2179.5-79173.4000110.8L9 A10 L39 F42 R43 I55L9-L12 HydrophobicContact CD2-CD1 4.3Å; L9-L12 WeakPolarHBondContact O-CB 3.4Å; L9-L12 PolarHBondContact O-N 2.89Å; A10-L12 VanDerWaalsContact C-N 3.29Å; L12-L39 HydrophobicContact CB-CD2 4.39Å; L12-L39 HydrophobicContact CD2-CD2 3.8Å; L12-F42 HydrophobicContact CD2-CB 3.94Å; L12-F42 HydrophobicContact CD2-CG 4.38Å; L12-R43 HydrophobicContact CD1-CG 3.51Å; L12-I55 HydrophobicContact CD1-CD1 4.5Å; L12-I55 HydrophobicContact CD2-CB 4.21Å; L12-I55 HydrophobicContact CD2-CD1 3.35Å; L12-I55 HydrophobicContact CD2-CG1 4.37Å; L12-I55 HydrophobicContact CD2-CG2 4.06Å; L12-I55 HydrophobicContact CG-CD1 3.89Å
13P90.7Very high90.7Very high18 Ų1869.1 Ų69.112%0.11736%0.364CS..PPolyproline II helixtrans-64.2148.8177.124.3-31.3000111.3S11 V17 L18 Q57 V60S11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-V17 HydrophobicContact CB-CG1 4.47Å; P13-L18 HydrophobicContact CB-CD1 4.44Å; P13-L18 HydrophobicContact CB-CD2 4.11Å; P13-L18 HydrophobicContact CB-CG 4.04Å; P13-L18 HydrophobicContact CG-CD1 3.98Å; P13-L18 HydrophobicContact CG-CD2 3.65Å; P13-L18 HydrophobicContact CG-CG 3.88Å; P13-Q57 HydrophobicContact CB-CG 4.32Å; P13-Q57 HydrophobicContact CG-CB 4.36Å; P13-Q57 HydrophobicContact CG-CG 4.12Å; P13-V60 HydrophobicContact CG-CG2 4.43Å
14S92.7Very high90.9Very high62 Ų6267 Ų6743%0.43437%0.368SS..PPolyproline II helixtrans-67.7152.2176.273.20000111.5D16 V17 L18S14-D16 PolarHBondContact O-N 2.91Å; S14-V17 PolarHBondContact O-N 3.26Å; S14-V17 VanDerWaalsContact O-N 3.08Å; S14-V17 VanDerWaalsContact OG-CG2 3.23Å; S14-V17 WeakPolarHBondContact OG-CG2 3.3Å; S14-V17 PolarHBondContact OG-N 3.44Å; S14-L18 PolarHBondContact O-N 2.95Å; S14-L18 VanDerWaalsContact O-N 3.12Å
15V93.8Very high91.2Very high31 Ų3163.9 Ų63.919%0.18836%0.362CS..Hα-helixtrans-53.1-43.6176.1174.80000110.9V17 L18 L19 K32 T35 Q36 L39V15-V17 VanDerWaalsContact C-N 3.32Å; V15-V17 PolarHBondContact O-N 3.08Å; V15-L18 PolarHBondContact O-N 2.76Å; V15-L19 HydrophobicContact CG1-CD1 3.66Å; V15-L19 HydrophobicContact CG1-CG 4.07Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 3.04Å; V15-K32 HydrophobicContact CG1-CG 4.41Å; V15-T35 HydrophobicContact CB-CG2 4.28Å; V15-T35 HydrophobicContact CG1-CG2 3.97Å; V15-T35 HydrophobicContact CG2-CG2 4.27Å; V15-Q36 HydrophobicContact CG2-CG 4.19Å; V15-L39 HydrophobicContact CG2-CD1 3.69Å
16D93.4Very high91.3Very high115 Ų11563.5 Ų63.562%0.61536%0.358SS*.Hα-helixtrans-66.1-31.4-178.7-64.5-28.2000113.3S14 K20S14-D16 PolarHBondContact O-N 2.91Å; D16-K20 WeakPolarHBondContact O-CG 3.41Å
17V93.7Very high91.4Very high59 Ų5962.1 Ų62.136%0.35836%0.359SS..Hα-helixtrans-72.2-42.2176.2167.10000110.8P13 S14 V15 Q21P13-V17 HydrophobicContact CB-CG1 4.47Å; S14-V17 PolarHBondContact O-N 3.26Å; S14-V17 VanDerWaalsContact O-N 3.08Å; S14-V17 VanDerWaalsContact OG-CG2 3.23Å; S14-V17 WeakPolarHBondContact OG-CG2 3.3Å; S14-V17 PolarHBondContact OG-N 3.44Å; V15-V17 VanDerWaalsContact C-N 3.32Å; V15-V17 PolarHBondContact O-N 3.08Å; V17-Q21 PolarHBondContact O-NE2 3.16Å
18L94.8Very high91.5Very high0 Ų062.9 Ų62.90%036%0.359CS..Hα-helixtrans-67-45.9177.8-68.6168.8000111.2P13 S14 V15 K20 Q21 I22 T35 L39 Q57 V60 I61 I64P13-L18 HydrophobicContact CB-CD1 4.44Å; P13-L18 HydrophobicContact CB-CD2 4.11Å; P13-L18 HydrophobicContact CB-CG 4.04Å; P13-L18 HydrophobicContact CG-CD1 3.98Å; P13-L18 HydrophobicContact CG-CD2 3.65Å; P13-L18 HydrophobicContact CG-CG 3.88Å; S14-L18 PolarHBondContact O-N 2.95Å; S14-L18 VanDerWaalsContact O-N 3.12Å; V15-L18 PolarHBondContact O-N 2.76Å; L18-K20 PolarHBondContact O-N 3.04Å; L18-K20 VanDerWaalsContact O-N 3.14Å; L18-Q21 WeakPolarHBondContact O-CA 3.32Å; L18-Q21 PolarHBondContact O-N 3.04Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 2.84Å; L18-T35 HydrophobicContact CB-CG2 3.8Å; L18-T35 HydrophobicContact CD1-CG2 3.59Å; L18-T35 HydrophobicContact CG-CG2 4.39Å; L18-L39 HydrophobicContact CD1-CD1 3.83Å; L18-L39 HydrophobicContact CD1-CD2 3.91Å; L18-L39 HydrophobicContact CD1-CG 3.93Å; L18-Q57 HydrophobicContact CD2-CG 4.06Å; L18-V60 HydrophobicContact CD1-CG1 3.61Å; L18-V60 HydrophobicContact CD2-CB 4.15Å; L18-V60 HydrophobicContact CD2-CG1 3.74Å; L18-V60 HydrophobicContact CG-CG1 4.33Å; L18-I61 HydrophobicContact CD2-CD1 4.37Å; L18-I61 HydrophobicContact CD2-CG1 3.75Å; L18-I64 HydrophobicContact CB-CD1 4.22Å; L18-I64 HydrophobicContact CD1-CD1 4.01Å; L18-I64 HydrophobicContact CD2-CD1 4.38Å; L18-I64 HydrophobicContact CG-CD1 4.45Å
19L93.7Very high91.6Very high26 Ų2664.7 Ų64.714%0.13638%0.38CS..Hα-helixtrans-58.7-28.8-178.8-78.2178.1000114V15 Q21 A31 K32V15-L19 HydrophobicContact CG1-CD1 3.66Å; V15-L19 HydrophobicContact CG1-CG 4.07Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 VanDerWaalsContact O-CG 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.48Å; V15-L19 PolarHBondContact O-N 3.04Å; L19-Q21 PolarHBondContact O-N 2.71Å; L19-A31 HydrophobicContact CD2-CB 3.83Å; L19-K32 HydrophobicContact CD1-CB 4.18Å; L19-K32 HydrophobicContact CD1-CG 4.29Å; L19-K32 HydrophobicContact CD2-CB 4.34Å
20K93.7Very high91.7Very high183 Ų18366.6 Ų66.680%0.79639%0.387SS*.THydrogen-bonded Turntrans-72.2-14.8175.1-72.7174.5-176178.70113.8D16 L18D16-K20 WeakPolarHBondContact O-CG 3.41Å; L18-K20 PolarHBondContact O-N 3.04Å; L18-K20 VanDerWaalsContact O-N 3.14Å
21Q93.1Very high91.8Very high88 Ų8862.8 Ų62.841%0.41136%0.355SS..THydrogen-bonded Turntrans-108.6-9.3-178-68.7169.682.200112.9V17 L18 L19 Q57 I61V17-Q21 PolarHBondContact O-NE2 3.16Å; L18-Q21 WeakPolarHBondContact O-CA 3.32Å; L18-Q21 PolarHBondContact O-N 3.04Å; L19-Q21 PolarHBondContact O-N 2.71Å; Q21-Q57 VanDerWaalsContact CD-NE2 3.26Å; Q21-I61 HydrophobicContact CB-CD1 3.74Å; Q21-I61 HydrophobicContact CB-CG1 4.47Å; Q21-I61 HydrophobicContact CG-CD1 4.27Å
22I91.7Very high92.1Very high11 Ų1165.5 Ų65.56%0.05636%0.362CS..SBendtrans-74.9141.6172.4-56.8-48.9000109.3L18 Y26 A31 I61 I64 L68L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 2.84Å; I22-Y26 HydrophobicContact CG2-CD2 3.97Å; I22-A31 HydrophobicContact CG2-CB 4.11Å; I22-I61 HydrophobicContact CD1-CG2 4.3Å; I22-I64 HydrophobicContact CD1-CB 3.86Å; I22-I64 HydrophobicContact CD1-CD1 4.19Å; I22-I64 HydrophobicContact CD1-CG2 3.43Å; I22-I64 VanDerWaalsContact CD1-CG2 3.43Å; I22-I64 HydrophobicContact CG1-CG2 3.94Å; I22-L68 HydrophobicContact CG2-CD1 3.74Å
23D88.6Confident92.2Very high71 Ų7169.5 Ų69.538%0.3838%0.38SS..  trans-51.7121.9176.1177.1-0.3000110.6S25 Y26 H65D23-S25 PolarHBondContact O-N 3.06Å; D23-S25 VanDerWaalsContact OD1-CB 3.28Å; D23-S25 WeakPolarHBondContact OD1-CB 3.07Å; D23-S25 PolarHBondContact OD1-N 3.19Å; D23-S25 PolarHBondContact OD1-OG 3Å; D23-S25 PolarHBondContact OD2-OG 2.72Å; D23-Y26 HydrophobicContact CB-CD2 3.96Å; D23-Y26 HydrophobicContact CB-CE2 4.02Å; D23-Y26 PolarHBondContact O-N 3.14Å; D23-Y26 VanDerWaalsContact O-N 3.14Å; D23-H65 PolarHBondContact N-CE1 2.83Å
24P90.1Very high92.3Very high127 Ų12768.9 Ų68.983%0.82538%0.377SS*.THydrogen-bonded Turntrans-64.2-8179.727.9-36.8000114.1Y26P24-Y26 PolarHBondContact O-N 3.29Å
25S90.5Very high92.4Very high82 Ų8265.9 Ų65.957%0.57336%0.356SS*.THydrogen-bonded Turntrans-65.2-25.9171.576.80000113D23D23-S25 PolarHBondContact O-N 3.06Å; D23-S25 VanDerWaalsContact OD1-CB 3.28Å; D23-S25 WeakPolarHBondContact OD1-CB 3.07Å; D23-S25 PolarHBondContact OD1-N 3.19Å; D23-S25 PolarHBondContact OD1-OG 3Å; D23-S25 PolarHBondContact OD2-OG 2.72Å
26Y89.8Confident92.5Very high35 Ų3569 Ų6914%0.13737%0.368CS..SBendtrans-76.8135.2176.8-67.8-65.7000111.7I22 D23 P24 H28 H65 L68 E69I22-Y26 HydrophobicContact CG2-CD2 3.97Å; D23-Y26 HydrophobicContact CB-CD2 3.96Å; D23-Y26 HydrophobicContact CB-CE2 4.02Å; D23-Y26 PolarHBondContact O-N 3.14Å; D23-Y26 VanDerWaalsContact O-N 3.14Å; P24-Y26 PolarHBondContact O-N 3.29Å; Y26-H28 PolarHBondContact O-N 2.82Å; Y26-H65 AromaticContact CE2-ND1 3.75Å; Y26-L68 HydrophobicContact CD1-CB 3.99Å; Y26-L68 HydrophobicContact CD1-CD1 4.31Å; Y26-L68 HydrophobicContact CD1-CD2 4.41Å; Y26-L68 HydrophobicContact CD1-CG 4.47Å; Y26-L68 HydrophobicContact CD2-CB 4.48Å; Y26-L68 HydrophobicContact CD2-CD1 3.74Å; Y26-L68 HydrophobicContact CE1-CB 3.78Å; Y26-L68 HydrophobicContact CE2-CB 4.28Å; Y26-L68 HydrophobicContact CE2-CD1 4.16Å; Y26-L68 HydrophobicContact CG-CB 4.35Å; Y26-L68 HydrophobicContact CG-CD1 3.83Å; Y26-L68 HydrophobicContact CG-CG 4.47Å; Y26-E69 WeakPolarHBondContact OH-CG 3.45Å; Y26-E69 PolarHBondContact OH-OE1 3.45Å
27P90.2Very high92.4Very high79 Ų7967.4 Ų67.451%0.51336%0.357SS..  trans-55.1126172.7-25.634.2000111.1G29 K30 A31P27-G29 PolarHBondContact O-N 2.9Å; P27-K30 HydrophobicContact CB-CB 4.49Å; P27-K30 HydrophobicContact CG-CD 4.49Å; P27-K30 WeakPolarHBondContact O-CA 3.38Å; P27-K30 WeakPolarHBondContact O-CB 3.49Å; P27-K30 PolarHBondContact O-N 2.87Å; P27-A31 PolarHBondContact O-N 3.16Å
28H91.9Very high92.4Very high131 Ų13164.8 Ų64.861%0.60634%0.341SS*.Hα-helixtrans-50.5-38.4-174-178.576.4000113.7Y26 A31 K32Y26-H28 PolarHBondContact O-N 2.82Å; H28-A31 PolarHBondContact O-N 3.31Å; H28-K32 VanDerWaalsContact O-CB 3.32Å; H28-K32 WeakPolarHBondContact O-CB 3.39Å; H28-K32 PolarHBondContact O-N 3.26Å
29G92.1Very high92.4Very high51 Ų5164.8 Ų64.853%0.52634%0.341SS..Hα-helixtrans-60.6-46.6175.500000113.3P27 K32 E33P27-G29 PolarHBondContact O-N 2.9Å; G29-K32 PolarHBondContact O-N 3.45Å; G29-E33 WeakPolarHBondContact O-CB 3.41Å; G29-E33 PolarHBondContact O-N 3.06Å
30K90.5Very high92.4Very high83 Ų8365.3 Ų65.336%0.36135%0.349SS..Hα-helixtrans-64.8-44.7175.9-78.9-170.5166-169.40111.3P27 K32 E33 A34 L68 Q72P27-K30 HydrophobicContact CB-CB 4.49Å; P27-K30 HydrophobicContact CG-CD 4.49Å; P27-K30 WeakPolarHBondContact O-CA 3.38Å; P27-K30 WeakPolarHBondContact O-CB 3.49Å; P27-K30 PolarHBondContact O-N 2.87Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.78Å; K30-E33 PolarHBondContact O-N 2.83Å; K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 3.04Å; K30-L68 HydrophobicContact CB-CD2 4.07Å; K30-Q72 PolarHBondContact NZ-O 2.93Å
31A93.5Very high92.3Very high5 Ų559.5 Ų59.54%0.04133%0.332CS..Hα-helixtrans-59-43.3177.500000111.6L19 I22 P27 H28 T35 L68L19-A31 HydrophobicContact CD2-CB 3.83Å; I22-A31 HydrophobicContact CG2-CB 4.11Å; P27-A31 PolarHBondContact O-N 3.16Å; H28-A31 PolarHBondContact O-N 3.31Å; A31-T35 VanDerWaalsContact O-CB 3.29Å; A31-T35 WeakPolarHBondContact O-CB 3.45Å; A31-T35 PolarHBondContact O-N 2.78Å; A31-T35 PolarHBondContact O-OG1 3.06Å; A31-L68 HydrophobicContact CB-CD1 4.42Å
32K95Very high92.3Very high94 Ų9455.9 Ų55.941%0.40932%0.315SS..Hα-helixtrans-64.3-45.7176.8-176.9177.3179.6178.40112.1V15 L19 H28 G29 K30 T35 Q36V15-K32 HydrophobicContact CG1-CG 4.41Å; L19-K32 HydrophobicContact CD1-CB 4.18Å; L19-K32 HydrophobicContact CD1-CG 4.29Å; L19-K32 HydrophobicContact CD2-CB 4.34Å; H28-K32 VanDerWaalsContact O-CB 3.32Å; H28-K32 WeakPolarHBondContact O-CB 3.39Å; H28-K32 PolarHBondContact O-N 3.26Å; G29-K32 PolarHBondContact O-N 3.45Å; K30-K32 VanDerWaalsContact C-N 3.31Å; K30-K32 PolarHBondContact O-N 2.78Å; K32-T35 PolarHBondContact O-N 3.43Å; K32-Q36 WeakPolarHBondContact O-CB 3.13Å; K32-Q36 VanDerWaalsContact O-CG 3.29Å; K32-Q36 WeakPolarHBondContact O-CG 3.27Å; K32-Q36 PolarHBondContact O-N 3.46Å
33E92.3Very high92.4Very high108 Ų10861.1 Ų61.151%0.50533%0.334SS..Hα-helixtrans-61.3-49.2177.8-175.3-178.217300111.6G29 K30 T35 Q36 Q37G29-E33 WeakPolarHBondContact O-CB 3.41Å; G29-E33 PolarHBondContact O-N 3.06Å; K30-E33 PolarHBondContact O-N 2.83Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-T35 PolarHBondContact O-N 3.1Å; E33-Q36 PolarHBondContact O-N 3.18Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 3.48Å; E33-Q37 PolarHBondContact OE1-NE2 2.9Å; E33-Q37 VanDerWaalsContact OE1-NE2 3.08Å
34A92.9Very high92.5Very high5 Ų564 Ų644%0.04135%0.345CS..Hα-helixtrans-59.2-45.3176.500000111.5K30 Q36 Q37 V38 I64 Q67 L68K30-A34 WeakPolarHBondContact O-CB 3.46Å; K30-A34 PolarHBondContact O-N 3.04Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 2.96Å; A34-Q37 PolarHBondContact O-N 2.88Å; A34-V38 WeakPolarHBondContact O-CG2 3.03Å; A34-V38 PolarHBondContact O-N 3.18Å; A34-I64 HydrophobicContact CB-CG2 4.22Å; A34-Q67 HydrophobicContact CB-CG 4.26Å; A34-L68 HydrophobicContact CB-CD2 3.72Å; A34-L68 HydrophobicContact CB-CG 3.82Å
35T95Very high92.5Very high0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-56.7-45.4175.5-58.50000111.8V15 L18 A31 K32 E33 L39 I64V15-T35 HydrophobicContact CB-CG2 4.28Å; V15-T35 HydrophobicContact CG1-CG2 3.97Å; V15-T35 HydrophobicContact CG2-CG2 4.27Å; L18-T35 HydrophobicContact CB-CG2 3.8Å; L18-T35 HydrophobicContact CD1-CG2 3.59Å; L18-T35 HydrophobicContact CG-CG2 4.39Å; A31-T35 VanDerWaalsContact O-CB 3.29Å; A31-T35 WeakPolarHBondContact O-CB 3.45Å; A31-T35 PolarHBondContact O-N 2.78Å; A31-T35 PolarHBondContact O-OG1 3.06Å; K32-T35 PolarHBondContact O-N 3.43Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-T35 PolarHBondContact O-N 3.1Å; T35-L39 HydrophobicContact CG2-CD1 4.19Å; T35-L39 WeakPolarHBondContact O-CB 3.21Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.26Å; T35-L39 PolarHBondContact O-N 3.14Å; T35-I64 HydrophobicContact CG2-CD1 3.92Å
36Q95.3Very high92.5Very high96 Ų9655.1 Ų55.145%0.44929%0.287SS..Hα-helixtrans-66.4-39.9179.3-74.2175.4-3400112.2V15 K32 E33 A34 A40V15-Q36 HydrophobicContact CG2-CG 4.19Å; K32-Q36 WeakPolarHBondContact O-CB 3.13Å; K32-Q36 VanDerWaalsContact O-CG 3.29Å; K32-Q36 WeakPolarHBondContact O-CG 3.27Å; K32-Q36 PolarHBondContact O-N 3.46Å; E33-Q36 PolarHBondContact O-N 3.18Å; A34-Q36 VanDerWaalsContact C-N 3.32Å; A34-Q36 PolarHBondContact O-N 2.96Å; Q36-A40 VanDerWaalsContact O-CB 3.32Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 2.89Å
37Q92.8Very high92.6Very high81 Ų8157.9 Ų57.938%0.37931%0.307SS..Hα-helixtrans-68-45.9178.9-72.1174.7500112E33 A34 L39 A40 S41E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 3.48Å; E33-Q37 PolarHBondContact OE1-NE2 2.9Å; E33-Q37 VanDerWaalsContact OE1-NE2 3.08Å; A34-Q37 PolarHBondContact O-N 2.88Å; Q37-L39 PolarHBondContact O-N 3.41Å; Q37-A40 WeakPolarHBondContact O-CB 3.26Å; Q37-A40 PolarHBondContact O-N 3.11Å; Q37-A40 VanDerWaalsContact O-N 3.15Å; Q37-S41 PolarHBondContact O-N 2.9Å
38V93.3Very high92.5Very high4 Ų459 Ų592%0.02431%0.31CS..Hα-helixtrans-61-44.9175.1173.60000111A34 A40 S41 F42 V60 L63 I64 Q67A34-V38 WeakPolarHBondContact O-CG2 3.03Å; A34-V38 PolarHBondContact O-N 3.18Å; V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 3.19Å; V38-S41 PolarHBondContact O-N 2.99Å; V38-S41 PolarHBondContact O-OG 2.85Å; V38-F42 HydrophobicContact CG1-CD2 3.8Å; V38-F42 HydrophobicContact CG1-CE2 3.67Å; V38-F42 VanDerWaalsContact O-CD2 3.24Å; V38-F42 WeakPolarHBondContact O-CD2 3.45Å; V38-F42 PolarHBondContact O-N 3.47Å; V38-V60 HydrophobicContact CG1-CG1 4.04Å; V38-L63 HydrophobicContact CG1-CB 3.9Å; V38-L63 HydrophobicContact CG1-CD1 4.42Å; V38-L63 HydrophobicContact CG2-CB 4.28Å; V38-I64 HydrophobicContact CB-CG1 3.94Å; V38-I64 HydrophobicContact CG1-CG1 4.18Å; V38-I64 HydrophobicContact CG2-CG1 3.82Å; V38-Q67 VanDerWaalsContact CG2-OE1 3.24Å
39L94.9Very high92.2Very high0 Ų054.3 Ų54.30%030%0.296CS..Hα-helixtrans-64.2-35.4175.8-74.5178.9000112.3L12 V15 L18 T35 Q37 R43 V60L12-L39 HydrophobicContact CB-CD2 4.39Å; L12-L39 HydrophobicContact CD2-CD2 3.8Å; V15-L39 HydrophobicContact CG2-CD1 3.69Å; L18-L39 HydrophobicContact CD1-CD1 3.83Å; L18-L39 HydrophobicContact CD1-CD2 3.91Å; L18-L39 HydrophobicContact CD1-CG 3.93Å; T35-L39 HydrophobicContact CG2-CD1 4.19Å; T35-L39 WeakPolarHBondContact O-CB 3.21Å; T35-L39 VanDerWaalsContact O-CG 3.29Å; T35-L39 WeakPolarHBondContact O-CG 3.26Å; T35-L39 PolarHBondContact O-N 3.14Å; Q37-L39 PolarHBondContact O-N 3.41Å; L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.37Å; L39-R43 PolarHBondContact O-N 2.98Å; L39-V60 HydrophobicContact CD2-CG1 4.16Å
40A94.2Very high91.8Very high37 Ų3757 Ų5731%0.30630%0.302SS..Hα-helixtrans-65.4-45.2175.600000111.6Q36 Q37 V38 F42 R43 E44Q36-A40 VanDerWaalsContact O-CB 3.32Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 2.89Å; Q37-A40 WeakPolarHBondContact O-CB 3.26Å; Q37-A40 PolarHBondContact O-N 3.11Å; Q37-A40 VanDerWaalsContact O-N 3.15Å; V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 3.19Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 3Å; A40-R43 WeakPolarHBondContact O-CB 3.42Å; A40-R43 PolarHBondContact O-N 3.38Å; A40-R43 VanDerWaalsContact O-N 3.09Å; A40-E44 PolarHBondContact O-N 3.32Å
41S91.4Very high91.5Very high62 Ų6255.7 Ų55.743%0.43430%0.295SS..Hα-helixtrans-62.8-39177.763.90000112.2Q37 V38 E44 A45Q37-S41 PolarHBondContact O-N 2.9Å; V38-S41 PolarHBondContact O-N 2.99Å; V38-S41 PolarHBondContact O-OG 2.85Å; S41-E44 PolarHBondContact O-N 2.96Å; S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.34Å
42F92.5Very high91.1Very high12 Ų1263.7 Ų63.75%0.05333%0.329CS..Hα-helixtrans-63.6-40.9172.2-85.9-66.1000112.7L12 V38 A40 A45 V46 I55 E59 V60 L63L12-F42 HydrophobicContact CD2-CB 3.94Å; L12-F42 HydrophobicContact CD2-CG 4.38Å; V38-F42 HydrophobicContact CG1-CD2 3.8Å; V38-F42 HydrophobicContact CG1-CE2 3.67Å; V38-F42 VanDerWaalsContact O-CD2 3.24Å; V38-F42 WeakPolarHBondContact O-CD2 3.45Å; V38-F42 PolarHBondContact O-N 3.47Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 3Å; F42-A45 PolarHBondContact O-N 3.26Å; F42-V46 VanDerWaalsContact O-CG2 3.23Å; F42-V46 WeakPolarHBondContact O-CG2 3.43Å; F42-V46 PolarHBondContact O-N 3.2Å; F42-I55 HydrophobicContact CB-CD1 3.82Å; F42-I55 HydrophobicContact CD1-CD1 3.53Å; F42-I55 HydrophobicContact CD1-CG1 3.89Å; F42-I55 HydrophobicContact CD1-CG2 4.01Å; F42-I55 HydrophobicContact CD2-CG2 4.48Å; F42-I55 HydrophobicContact CE1-CD1 4.33Å; F42-I55 HydrophobicContact CE1-CG1 4.21Å; F42-I55 HydrophobicContact CE1-CG2 3.85Å; F42-I55 HydrophobicContact CE2-CG2 4.35Å; F42-I55 HydrophobicContact CG-CD1 3.87Å; F42-I55 HydrophobicContact CG-CG2 4.33Å; F42-I55 HydrophobicContact CZ-CG2 4.02Å; F42-E59 HydrophobicContact CZ-CG 4.11Å; F42-V60 HydrophobicContact CD2-CG2 4.15Å; F42-V60 HydrophobicContact CE2-CB 4.37Å; F42-V60 HydrophobicContact CE2-CG2 3.74Å; F42-V60 HydrophobicContact CZ-CG2 4.27Å; F42-L63 HydrophobicContact CE2-CD1 3.55Å; F42-L63 HydrophobicContact CZ-CD1 3.46Å; F42-L63 VanDerWaalsContact CZ-CD1 3.46Å
43R92.8Very high90.7Very high120 Ų12063.2 Ų63.245%0.45333%0.334SS..Hα-helixtrans-62.1-44.4176.5-73.7177.9-168.5117.42.2111.4L9 L12 L39 A40 V46 V47L9-R43 HydrophobicContact CD2-CB 4.27Å; L9-R43 HydrophobicContact CD2-CG 4.05Å; L12-R43 HydrophobicContact CD1-CG 3.51Å; L39-R43 VanDerWaalsContact O-CG 3.29Å; L39-R43 WeakPolarHBondContact O-CG 3.37Å; L39-R43 PolarHBondContact O-N 2.98Å; A40-R43 WeakPolarHBondContact O-CB 3.42Å; A40-R43 PolarHBondContact O-N 3.38Å; A40-R43 VanDerWaalsContact O-N 3.09Å; R43-V46 PolarHBondContact O-N 2.94Å; R43-V47 WeakPolarHBondContact O-CB 3.48Å; R43-V47 VanDerWaalsContact O-CG2 3.26Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.02Å
44E91.8Very high90.4Very high133 Ų13362.9 Ų62.962%0.62134%0.339SS*.Hα-helixtrans-60-48.5176.5-72.8173.5-177.400110.9A40 S41 V46 V47 D48A40-E44 PolarHBondContact O-N 3.32Å; S41-E44 PolarHBondContact O-N 2.96Å; E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.41Å; E44-V47 PolarHBondContact O-N 2.84Å; E44-D48 VanDerWaalsContact O-CG 3.27Å; E44-D48 PolarHBondContact O-N 2.96Å
45A89.9Confident89.9Confident21 Ų2162.9 Ų62.917%0.17434%0.338CS..Hα-helixtrans-60.7-31.7178.500000113.7S41 F42 D48 G49 T50 R51S41-A45 WeakPolarHBondContact O-CB 3.47Å; S41-A45 PolarHBondContact O-N 3.34Å; F42-A45 PolarHBondContact O-N 3.26Å; A45-D48 VanDerWaalsContact C-OD1 3.28Å; A45-D48 WeakPolarHBondContact CA-OD1 3.25Å; A45-G49 PolarHBondContact O-N 3.34Å; A45-T50 WeakPolarHBondContact CA-OG1 3.46Å; A45-T50 WeakPolarHBondContact CB-OG1 3.36Å; A45-T50 PolarHBondContact O-N 3.22Å; A45-T50 PolarHBondContact O-OG1 3.43Å; A45-R51 HydrophobicContact CB-CB 3.96Å; A45-R51 PolarHBondContact O-N 3.49Å
46V91.2Very high89.6Confident1 Ų167.4 Ų67.41%0.00636%0.362CS..Hα-helixtrans-78.6-33.8176.2173.90000111.4I5 I8 L9 F42 R43 E44 R51 I55I5-V46 HydrophobicContact CG2-CG1 3.95Å; I8-V46 HydrophobicContact CB-CG1 3.94Å; I8-V46 HydrophobicContact CB-CG2 4.5Å; I8-V46 HydrophobicContact CG2-CB 4.37Å; I8-V46 HydrophobicContact CG2-CG1 3.84Å; I8-V46 HydrophobicContact CG2-CG2 3.5Å; L9-V46 HydrophobicContact CD2-CB 3.85Å; L9-V46 HydrophobicContact CD2-CG1 3.72Å; L9-V46 HydrophobicContact CG-CB 4.35Å; L9-V46 HydrophobicContact CG-CG1 3.66Å; F42-V46 VanDerWaalsContact O-CG2 3.23Å; F42-V46 WeakPolarHBondContact O-CG2 3.43Å; F42-V46 PolarHBondContact O-N 3.2Å; R43-V46 PolarHBondContact O-N 2.94Å; E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.41Å; V46-R51 HydrophobicContact CG2-CB 3.89Å; V46-R51 HydrophobicContact CG2-CG 4.05Å; V46-I55 HydrophobicContact CG2-CD1 3.99Å
47V90.5Very high89.4Confident92 Ų9266.1 Ų66.156%0.55836%0.356SS*.Hα-helixtrans-75-38.7179.5169.30000112L9 R43 E44 G49L9-V47 HydrophobicContact CD1-CG2 4.5Å; R43-V47 WeakPolarHBondContact O-CB 3.48Å; R43-V47 VanDerWaalsContact O-CG2 3.26Å; R43-V47 WeakPolarHBondContact O-CG2 3.45Å; R43-V47 PolarHBondContact O-N 3.02Å; E44-V47 PolarHBondContact O-N 2.84Å; V47-G49 VanDerWaalsContact C-N 3.27Å
48D89.1Confident89.4Confident104 Ų10468.5 Ų68.556%0.55637%0.366SS*.THydrogen-bonded Turntrans-79.6-10.5176.870.816.2000113.4E44 A45 T50E44-D48 VanDerWaalsContact O-CG 3.27Å; E44-D48 PolarHBondContact O-N 2.96Å; A45-D48 VanDerWaalsContact C-OD1 3.28Å; A45-D48 WeakPolarHBondContact CA-OD1 3.25Å; D48-T50 VanDerWaalsContact OD1-CB 3.27Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 VanDerWaalsContact OD1-CG2 3.25Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.25Å; D48-T50 PolarHBondContact OD1-N 2.99Å; D48-T50 PolarHBondContact OD1-OG1 3Å
49G85.5Confident89.3Confident31 Ų3171 Ų7132%0.3238%0.377SS..THydrogen-bonded Turntrans84.67.817600000115A45 V47 R51 K52A45-G49 PolarHBondContact O-N 3.34Å; V47-G49 VanDerWaalsContact C-N 3.27Å; G49-R51 VanDerWaalsContact C-N 3.32Å; G49-K52 WeakPolarHBondContact O-CE 3.39Å
50T84.7Confident89.2Confident107 Ų10771 Ų7166%0.65638%0.377SS*.SBendtrans-68.2-32172.855.90000111.9A45 D48A45-T50 WeakPolarHBondContact CA-OG1 3.46Å; A45-T50 WeakPolarHBondContact CB-OG1 3.36Å; A45-T50 PolarHBondContact O-N 3.22Å; A45-T50 PolarHBondContact O-OG1 3.43Å; D48-T50 VanDerWaalsContact OD1-CB 3.27Å; D48-T50 WeakPolarHBondContact OD1-CB 3.35Å; D48-T50 VanDerWaalsContact OD1-CG2 3.25Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.25Å; D48-T50 PolarHBondContact OD1-N 2.99Å; D48-T50 PolarHBondContact OD1-OG1 3Å
51R84Confident89.2Confident57 Ų5770.4 Ų70.422%0.21537%0.368CS..  trans-106.1116.3173.2-168.671.8-179-138.9-5111A45 V46 G49 T53 I55 E59A45-R51 HydrophobicContact CB-CB 3.96Å; A45-R51 PolarHBondContact O-N 3.49Å; V46-R51 HydrophobicContact CG2-CB 3.89Å; V46-R51 HydrophobicContact CG2-CG 4.05Å; G49-R51 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact NE-OG1 3.13Å; R51-I55 HydrophobicContact CG-CG1 4.45Å; R51-E59 IonicContact CZ-OE1 2.71Å; R51-E59 IonicContact CZ-OE2 3.49Å; R51-E59 IonicContact NH1-OE1 2.8Å; R51-E59 PolarHBondContact NH1-OE1 3.18Å; R51-E59 IonicContact NH1-OE2 3.47Å; R51-E59 PolarHBondContact NH1-OE2 2.7Å; R51-E59 IonicContact NH2-OE1 3.6Å; R51-E59 PolarHBondContact NH2-OE1 3.05Å; R51-E59 IonicContact NH2-OE2 3.5Å; R51-E59 PolarHBondContact NH2-OE2 2.9Å
52K84.2Confident89.2Confident172 Ų17272.5 Ų72.575%0.74837%0.372SS*.  trans-114.2-0.2-179.7-61.5-179.7-177.2174.60114.1I8 G49I8-K52 WeakPolarHBondContact CD1-O 3.42Å; G49-K52 WeakPolarHBondContact O-CE 3.39Å
53T87.2Confident89.1Confident85 Ų8575.2 Ų75.252%0.52139%0.386SS..SBendtrans-110.5153-178.753.80000110.8I8 R51I8-T53 WeakPolarHBondContact CG2-O 3.31Å; R51-T53 PolarHBondContact NE-OG1 3.13Å
54V84.6Confident89.1Confident100 Ų10069.5 Ų69.561%0.60636%0.364SS*.PPolyproline II helixtrans-55.7140.3170.6175.60000109.3S11S11-V54 WeakPolarHBondContact OG-CG1 3.46Å
55I84.1Confident89.1Confident6 Ų665.2 Ų65.23%0.03134%0.344CS..PPolyproline II helixtrans-90.5123.3-176.2-62.1165000108.6I8 S11 L12 F42 V46 R51 V60I8-I55 HydrophobicContact CG2-CD1 4.36Å; I8-I55 HydrophobicContact CG2-CG1 4.41Å; S11-I55 PolarHBondContact OG-N 3.38Å; L12-I55 HydrophobicContact CD1-CD1 4.5Å; L12-I55 HydrophobicContact CD2-CB 4.21Å; L12-I55 HydrophobicContact CD2-CD1 3.35Å; L12-I55 HydrophobicContact CD2-CG1 4.37Å; L12-I55 HydrophobicContact CD2-CG2 4.06Å; L12-I55 HydrophobicContact CG-CD1 3.89Å; F42-I55 HydrophobicContact CB-CD1 3.82Å; F42-I55 HydrophobicContact CD1-CD1 3.53Å; F42-I55 HydrophobicContact CD1-CG1 3.89Å; F42-I55 HydrophobicContact CD1-CG2 4.01Å; F42-I55 HydrophobicContact CD2-CG2 4.48Å; F42-I55 HydrophobicContact CE1-CD1 4.33Å; F42-I55 HydrophobicContact CE1-CG1 4.21Å; F42-I55 HydrophobicContact CE1-CG2 3.85Å; F42-I55 HydrophobicContact CE2-CG2 4.35Å; F42-I55 HydrophobicContact CG-CD1 3.87Å; F42-I55 HydrophobicContact CG-CG2 4.33Å; F42-I55 HydrophobicContact CZ-CG2 4.02Å; V46-I55 HydrophobicContact CG2-CD1 3.99Å; R51-I55 HydrophobicContact CG-CG1 4.45Å; I55-V60 HydrophobicContact CG2-CG2 3.39Å
56D88.6Confident88.9Confident94 Ų9467.4 Ų67.450%0.50335%0.35SS..PPolyproline II helixtrans-76.9132.1175.6-175.82000109.5K58 E59 V60D56-K58 PolarHBondContact O-N 2.88Å; D56-K58 PolarHBondContact OD1-N 2.94Å; D56-E59 HydrophobicContact CB-CB 4.26Å; D56-E59 WeakPolarHBondContact O-CB 3.47Å; D56-E59 PolarHBondContact O-N 3.04Å; D56-E59 VanDerWaalsContact O-N 3.17Å; D56-V60 WeakPolarHBondContact O-CG2 3.46Å; D56-V60 PolarHBondContact O-N 2.88Å
57Q91.3Very high88.7Confident69 Ų6968.6 Ų68.632%0.32236%0.355SS..Hα-helixtrans-57.7-33.6175.4-177.4178.8-65.300111.8P13 L18 Q21 V60 I61P13-Q57 HydrophobicContact CB-CG 4.32Å; P13-Q57 HydrophobicContact CG-CB 4.36Å; P13-Q57 HydrophobicContact CG-CG 4.12Å; L18-Q57 HydrophobicContact CD2-CG 4.06Å; Q21-Q57 VanDerWaalsContact CD-NE2 3.26Å; Q57-V60 PolarHBondContact O-N 3.4Å; Q57-I61 HydrophobicContact CG-CD1 3.95Å; Q57-I61 WeakPolarHBondContact O-CG1 3.39Å; Q57-I61 PolarHBondContact O-N 2.96Å
58K91.5Very high88.6Confident132 Ų13264.6 Ų64.657%0.57433%0.331SS*.Hα-helixtrans-63.2-44.3177.6-169.6-176.9176.2-156.90111.7D56 V60 I61 E62D56-K58 PolarHBondContact O-N 2.88Å; D56-K58 PolarHBondContact OD1-N 2.94Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 3.23Å; K58-I61 PolarHBondContact O-N 2.81Å; K58-E62 WeakPolarHBondContact CE-OE1 3.33Å; K58-E62 IonicContact NZ-OE1 3.68Å; K58-E62 WeakPolarHBondContact O-CG 3.21Å; K58-E62 PolarHBondContact O-N 3.16Å
59E91.3Very high88.4Confident55 Ų5565.3 Ų65.326%0.25733%0.331SS..Hα-helixtrans-59.8-42.5175.7-176.4-171.8176.700111.3F42 R51 D56 I61 E62 L63F42-E59 HydrophobicContact CZ-CG 4.11Å; R51-E59 IonicContact CZ-OE1 2.71Å; R51-E59 IonicContact CZ-OE2 3.49Å; R51-E59 IonicContact NH1-OE1 2.8Å; R51-E59 PolarHBondContact NH1-OE1 3.18Å; R51-E59 IonicContact NH1-OE2 3.47Å; R51-E59 PolarHBondContact NH1-OE2 2.7Å; R51-E59 IonicContact NH2-OE1 3.6Å; R51-E59 PolarHBondContact NH2-OE1 3.05Å; R51-E59 IonicContact NH2-OE2 3.5Å; R51-E59 PolarHBondContact NH2-OE2 2.9Å; D56-E59 HydrophobicContact CB-CB 4.26Å; D56-E59 WeakPolarHBondContact O-CB 3.47Å; D56-E59 PolarHBondContact O-N 3.04Å; D56-E59 VanDerWaalsContact O-N 3.17Å; E59-I61 PolarHBondContact O-N 2.86Å; E59-E62 PolarHBondContact O-N 2.67Å; E59-L63 HydrophobicContact CG-CD1 4.38Å; E59-L63 WeakPolarHBondContact O-CG 3.44Å; E59-L63 PolarHBondContact O-N 3.42Å
60V92.9Very high88Confident0 Ų066.4 Ų66.40%033%0.328CS..Hα-helixtrans-62.3-44.4176.9-178.40000111P13 L18 V38 L39 F42 I55 D56 Q57 K58 L63 I64P13-V60 HydrophobicContact CG-CG2 4.43Å; L18-V60 HydrophobicContact CD1-CG1 3.61Å; L18-V60 HydrophobicContact CD2-CB 4.15Å; L18-V60 HydrophobicContact CD2-CG1 3.74Å; L18-V60 HydrophobicContact CG-CG1 4.33Å; V38-V60 HydrophobicContact CG1-CG1 4.04Å; L39-V60 HydrophobicContact CD2-CG1 4.16Å; F42-V60 HydrophobicContact CD2-CG2 4.15Å; F42-V60 HydrophobicContact CE2-CB 4.37Å; F42-V60 HydrophobicContact CE2-CG2 3.74Å; F42-V60 HydrophobicContact CZ-CG2 4.27Å; I55-V60 HydrophobicContact CG2-CG2 3.39Å; D56-V60 WeakPolarHBondContact O-CG2 3.46Å; D56-V60 PolarHBondContact O-N 2.88Å; Q57-V60 PolarHBondContact O-N 3.4Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 3.23Å; V60-L63 PolarHBondContact O-N 2.95Å; V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 WeakPolarHBondContact O-CD1 3.4Å; V60-I64 WeakPolarHBondContact O-CG1 3.38Å; V60-I64 PolarHBondContact O-N 3.09Å
61I93.5Very high87.7Confident25 Ų2566.9 Ų66.913%0.12832%0.321CS..Hα-helixtrans-64.8-45.5179.3-70.3166.6000110.8L18 Q21 I22 Q57 K58 E59 L63 I64 H65L18-I61 HydrophobicContact CD2-CD1 4.37Å; L18-I61 HydrophobicContact CD2-CG1 3.75Å; Q21-I61 HydrophobicContact CB-CD1 3.74Å; Q21-I61 HydrophobicContact CB-CG1 4.47Å; Q21-I61 HydrophobicContact CG-CD1 4.27Å; I22-I61 HydrophobicContact CD1-CG2 4.3Å; Q57-I61 HydrophobicContact CG-CD1 3.95Å; Q57-I61 WeakPolarHBondContact O-CG1 3.39Å; Q57-I61 PolarHBondContact O-N 2.96Å; K58-I61 PolarHBondContact O-N 2.81Å; E59-I61 PolarHBondContact O-N 2.86Å; I61-L63 VanDerWaalsContact C-N 3.32Å; I61-L63 PolarHBondContact O-N 2.87Å; I61-I64 PolarHBondContact O-N 3.26Å; I61-I64 VanDerWaalsContact O-N 3.14Å; I61-H65 PolarHBondContact O-CD2 3.11Å; I61-H65 VanDerWaalsContact O-CD2 3.29Å; I61-H65 PolarHBondContact O-N 2.94Å
62E91.6Very high87.4Confident107 Ų10767.2 Ų67.250%0.533%0.325SS..Hα-helixtrans-57.7-43.7176.8-74.5172.7178.700111.5K58 E59 H65 K66K58-E62 WeakPolarHBondContact CE-OE1 3.33Å; K58-E62 IonicContact NZ-OE1 3.68Å; K58-E62 WeakPolarHBondContact O-CG 3.21Å; K58-E62 PolarHBondContact O-N 3.16Å; E59-E62 PolarHBondContact O-N 2.67Å; E62-H65 PolarHBondContact O-N 2.74Å; E62-K66 WeakPolarHBondContact O-CB 3.24Å; E62-K66 PolarHBondContact O-N 2.84Å
63L90.6Very high87.4Confident68 Ų6866.8 Ų66.836%0.35632%0.323SS..Hα-helixtrans-67.2-35.3176.1-72.1172.7000113.2V38 F42 E59 V60 I61 Q67V38-L63 HydrophobicContact CG1-CB 3.9Å; V38-L63 HydrophobicContact CG1-CD1 4.42Å; V38-L63 HydrophobicContact CG2-CB 4.28Å; F42-L63 HydrophobicContact CE2-CD1 3.55Å; F42-L63 HydrophobicContact CZ-CD1 3.46Å; F42-L63 VanDerWaalsContact CZ-CD1 3.46Å; E59-L63 HydrophobicContact CG-CD1 4.38Å; E59-L63 WeakPolarHBondContact O-CG 3.44Å; E59-L63 PolarHBondContact O-N 3.42Å; V60-L63 PolarHBondContact O-N 2.95Å; I61-L63 VanDerWaalsContact C-N 3.32Å; I61-L63 PolarHBondContact O-N 2.87Å; L63-Q67 VanDerWaalsContact O-CB 3.25Å; L63-Q67 WeakPolarHBondContact O-CB 3.43Å; L63-Q67 PolarHBondContact O-N 2.97Å
64I93Very high87.5Confident0 Ų068.9 Ų68.90%034%0.341CS..Hα-helixtrans-65.3-45.5174.6-67.6162.9000110.3L18 I22 A34 T35 V38 V60 I61 Q67 L68L18-I64 HydrophobicContact CB-CD1 4.22Å; L18-I64 HydrophobicContact CD1-CD1 4.01Å; L18-I64 HydrophobicContact CD2-CD1 4.38Å; L18-I64 HydrophobicContact CG-CD1 4.45Å; I22-I64 HydrophobicContact CD1-CB 3.86Å; I22-I64 HydrophobicContact CD1-CD1 4.19Å; I22-I64 HydrophobicContact CD1-CG2 3.43Å; I22-I64 VanDerWaalsContact CD1-CG2 3.43Å; I22-I64 HydrophobicContact CG1-CG2 3.94Å; A34-I64 HydrophobicContact CB-CG2 4.22Å; T35-I64 HydrophobicContact CG2-CD1 3.92Å; V38-I64 HydrophobicContact CB-CG1 3.94Å; V38-I64 HydrophobicContact CG1-CG1 4.18Å; V38-I64 HydrophobicContact CG2-CG1 3.82Å; V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 WeakPolarHBondContact O-CD1 3.4Å; V60-I64 WeakPolarHBondContact O-CG1 3.38Å; V60-I64 PolarHBondContact O-N 3.09Å; I61-I64 PolarHBondContact O-N 3.26Å; I61-I64 VanDerWaalsContact O-N 3.14Å; I64-Q67 PolarHBondContact O-N 2.67Å; I64-L68 HydrophobicContact CG2-CD1 3.77Å; I64-L68 HydrophobicContact CG2-CG 4.36Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.25Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.42Å
65H91.2Very high87.9Confident43 Ų4371.6 Ų71.620%0.19935%0.351CS..Hα-helixtrans-61-49.6175.9-85-80.6000111.6D23 Y26 I61 E62 Q67 L68 E69D23-H65 PolarHBondContact N-CE1 2.83Å; Y26-H65 AromaticContact CE2-ND1 3.75Å; I61-H65 PolarHBondContact O-CD2 3.11Å; I61-H65 VanDerWaalsContact O-CD2 3.29Å; I61-H65 PolarHBondContact O-N 2.94Å; E62-H65 PolarHBondContact O-N 2.74Å; H65-Q67 VanDerWaalsContact C-N 3.3Å; H65-Q67 PolarHBondContact O-N 3.32Å; H65-L68 PolarHBondContact O-N 2.7Å; H65-L68 VanDerWaalsContact O-N 3.1Å; H65-E69 WeakPolarHBondContact O-CG 3.26Å; H65-E69 PolarHBondContact O-N 2.85Å
66K87.4Confident88.3Confident67 Ų6775.1 Ų75.129%0.29136%0.364SS..Hα-helixtrans-53.8-47.8175.5-174172.3-174.61700111E62 L68 E69 E70 E455E62-K66 WeakPolarHBondContact O-CB 3.24Å; E62-K66 PolarHBondContact O-N 2.84Å; K66-L68 PolarHBondContact O-N 3.17Å; K66-E69 PolarHBondContact O-N 2.64Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 VanDerWaalsContact CG-CD 3.43Å; K66-E70 HydrophobicContact CG-CG 4.25Å; K66-E70 WeakPolarHBondContact CG-OE1 3.39Å; K66-E70 WeakPolarHBondContact O-CB 3.33Å; K66-E70 VanDerWaalsContact O-CG 3.29Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 2.91Å; K66-E455 IonicContact NZ-OE1 3.58Å; K66-E455 IonicContact NZ-OE2 3.66Å; K66-E455 PolarHBondContact NZ-OE2 3.36Å
67Q86.6Confident88.5Confident26 Ų2678 Ų7812%0.12137%0.368CS..Hα-helixtrans-64-40178.6-179.8163.20.300113.1A34 V38 L63 I64 H65 K71A34-Q67 HydrophobicContact CB-CG 4.26Å; V38-Q67 VanDerWaalsContact CG2-OE1 3.24Å; L63-Q67 VanDerWaalsContact O-CB 3.25Å; L63-Q67 WeakPolarHBondContact O-CB 3.43Å; L63-Q67 PolarHBondContact O-N 2.97Å; I64-Q67 PolarHBondContact O-N 2.67Å; H65-Q67 VanDerWaalsContact C-N 3.3Å; H65-Q67 PolarHBondContact O-N 3.32Å; Q67-K71 HydrophobicContact CG-CD 3.99Å; Q67-K71 HydrophobicContact CG-CG 4.46Å; Q67-K71 VanDerWaalsContact O-CB 3.32Å; Q67-K71 WeakPolarHBondContact O-CB 3.38Å; Q67-K71 PolarHBondContact O-N 3.07Å; Q67-K71 VanDerWaalsContact O-N 3.15Å
68L88Confident88.8Confident9 Ų977.2 Ų77.25%0.04737%0.368CS..Hα-helixtrans-65.9-40.5177.1-73.9167.4000111.3I22 Y26 K30 A31 A34 I64 H65 K66 Q72I22-L68 HydrophobicContact CG2-CD1 3.74Å; Y26-L68 HydrophobicContact CD1-CB 3.99Å; Y26-L68 HydrophobicContact CD1-CD1 4.31Å; Y26-L68 HydrophobicContact CD1-CD2 4.41Å; Y26-L68 HydrophobicContact CD1-CG 4.47Å; Y26-L68 HydrophobicContact CD2-CB 4.48Å; Y26-L68 HydrophobicContact CD2-CD1 3.74Å; Y26-L68 HydrophobicContact CE1-CB 3.78Å; Y26-L68 HydrophobicContact CE2-CB 4.28Å; Y26-L68 HydrophobicContact CE2-CD1 4.16Å; Y26-L68 HydrophobicContact CG-CB 4.35Å; Y26-L68 HydrophobicContact CG-CD1 3.83Å; Y26-L68 HydrophobicContact CG-CG 4.47Å; K30-L68 HydrophobicContact CB-CD2 4.07Å; A31-L68 HydrophobicContact CB-CD1 4.42Å; A34-L68 HydrophobicContact CB-CD2 3.72Å; A34-L68 HydrophobicContact CB-CG 3.82Å; I64-L68 HydrophobicContact CG2-CD1 3.77Å; I64-L68 HydrophobicContact CG2-CG 4.36Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.25Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.42Å; H65-L68 PolarHBondContact O-N 2.7Å; H65-L68 VanDerWaalsContact O-N 3.1Å; K66-L68 PolarHBondContact O-N 3.17Å; L68-Q72 VanDerWaalsContact O-CD 3.27Å; L68-Q72 VanDerWaalsContact O-CG 3.31Å; L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-NE2 3.43Å
69E84.7Confident89.2Confident118 Ų11870.9 Ų70.955%0.55134%0.341SS*.Hα-helixtrans-70-49.2179.2-70.7173.5-168.700111.9Y26 H65 K66 K71 Q72Y26-E69 WeakPolarHBondContact OH-CG 3.45Å; Y26-E69 PolarHBondContact OH-OE1 3.45Å; H65-E69 WeakPolarHBondContact O-CG 3.26Å; H65-E69 PolarHBondContact O-N 2.85Å; K66-E69 PolarHBondContact O-N 2.64Å; E69-K71 PolarHBondContact O-N 3.43Å; E69-Q72 WeakPolarHBondContact O-CG 3.49Å
70E78Confident89.5Confident55 Ų5569.5 Ų69.526%0.25734%0.335SS..Hα-helixtrans-78.4-22-171.8-68177.1173.100114.5K66 R76 A422K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 VanDerWaalsContact CG-CD 3.43Å; K66-E70 HydrophobicContact CG-CG 4.25Å; K66-E70 WeakPolarHBondContact CG-OE1 3.39Å; K66-E70 WeakPolarHBondContact O-CB 3.33Å; K66-E70 VanDerWaalsContact O-CG 3.29Å; K66-E70 WeakPolarHBondContact O-CG 3.38Å; K66-E70 PolarHBondContact O-N 2.91Å; E70-R76 WeakPolarHBondContact O-CD 3.22Å; E70-R76 PolarHBondContact O-NH1 3.21Å; E70-A422 HydrophobicContact CG-CB 4.28Å; E70-A422 WeakPolarHBondContact OE1-CB 3.42Å
71K77.1Confident89.8Confident117 Ų11769.5 Ų69.551%0.50934%0.335SS..THydrogen-bonded Turntrans-11230.5-177.8-54.7-171.5-172.6171.30112.4Q67 E69 F73Q67-K71 HydrophobicContact CG-CD 3.99Å; Q67-K71 HydrophobicContact CG-CG 4.46Å; Q67-K71 VanDerWaalsContact O-CB 3.32Å; Q67-K71 WeakPolarHBondContact O-CB 3.38Å; Q67-K71 PolarHBondContact O-N 3.07Å; Q67-K71 VanDerWaalsContact O-N 3.15Å; E69-K71 PolarHBondContact O-N 3.43Å; K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.06Å
72Q78Confident90Very high63 Ų6368.8 Ų68.829%0.29433%0.332SS..SBendtrans-59.2-38.5174.6-77.1-60.6-24.900112.8K30 L68 E69K30-Q72 PolarHBondContact NZ-O 2.93Å; L68-Q72 VanDerWaalsContact O-CD 3.27Å; L68-Q72 VanDerWaalsContact O-CG 3.31Å; L68-Q72 WeakPolarHBondContact O-CG 3.38Å; L68-Q72 PolarHBondContact O-NE2 3.43Å; E69-Q72 WeakPolarHBondContact O-CG 3.49Å
73F85Confident90.2Very high163 Ų16363.7 Ų63.772%0.71531%0.308SS*.  trans-125.2145.9178.5-58-74.3000110.5K71 L75 R76K71-F73 VanDerWaalsContact C-N 3.25Å; K71-F73 PolarHBondContact O-N 3.06Å; F73-L75 WeakPolarHBondContact CB-O 3.27Å; F73-R76 WeakPolarHBondContact O-CD 3.04Å; F73-R76 WeakPolarHBondContact O-CG 3.47Å
74S88.9Confident90.5Very high129 Ų12961.5 Ų61.590%0.90230%0.297SS*.SBendtrans-73.8-38.1174.355.50000112.1
75L92.7Very high90.7Very high157 Ų15761.7 Ų61.782%0.82230%0.299SS*.SBendtrans-80.1121169.1-178.464.1000108.9F73F73-L75 WeakPolarHBondContact CB-O 3.27Å
76R91.7Very high90.9Very high80 Ų8059.9 Ų59.930%0.30229%0.29SS..  trans-135.5159.9-175.1-58.2-172.7-63.1160.58.7110E70 F73E70-R76 WeakPolarHBondContact O-CD 3.22Å; E70-R76 PolarHBondContact O-NH1 3.21Å; F73-R76 WeakPolarHBondContact O-CD 3.04Å; F73-R76 WeakPolarHBondContact O-CG 3.47Å
77R94.7Very high91.3Very high154 Ų15458.3 Ų58.358%0.58128%0.284SS*.  trans-61.3143.1169.8-179.4178.8173.7-165.7-0.2109.6P424 E445R77-P424 WeakPolarHBondContact O-CD 3.45Å; R77-E445 IonicContact CZ-OE1 2.96Å; R77-E445 IonicContact NE-OE1 2.68Å; R77-E445 VanDerWaalsContact NH2-CG 3.31Å; R77-E445 IonicContact NH2-OE1 3.18Å; R77-E445 PolarHBondContact NH2-OE1 3.44Å
78V97.3Very high91.5Very high53 Ų5360.7 Ų60.732%0.32130%0.3SS..  trans-134.9137.1178.2177.50000108.1L90 P424 I426V78-L90 HydrophobicContact CG1-CD2 4.24Å; V78-P424 CarbonylContact C-O 3.51Å; V78-P424 WeakPolarHBondContact CA-O 3.24Å; V78-P424 HydrophobicContact CG1-CB 4.35Å; V78-P424 HydrophobicContact CG2-CB 4.23Å; V78-I426 HydrophobicContact CG1-CD1 4.14Å; V78-I426 HydrophobicContact CG1-CG1 3.43Å; V78-I426 VanDerWaalsContact CG1-CG1 3.43Å
79I98.5Very high91.7Very high0 Ų067 Ų670%033%0.334CS..EExtended strand (participates in β ladder)trans-84117.7170.6-65.2169.2000108A81 T423 P424 I425 I426 I441 E445 T448 I449I79-A81 PolarHBondContact O-N 3.22Å; I79-T423 HydrophobicContact CD1-CG2 3.88Å; I79-T423 HydrophobicContact CG1-CG2 3.83Å; I79-P424 PolarHBondContact N-O 3.17Å; I79-I425 HydrophobicContact CB-CG1 4.04Å; I79-I425 HydrophobicContact CD1-CG1 4.02Å; I79-I425 HydrophobicContact CG2-CG2 4.43Å; I79-I426 PolarHBondContact O-N 3Å; I79-I441 HydrophobicContact CG2-CG1 4.49Å; I79-E445 HydrophobicContact CD1-CB 4.2Å; I79-E445 HydrophobicContact CG1-CB 4.44Å; I79-E445 HydrophobicContact CG1-CG 4.39Å; I79-T448 HydrophobicContact CD1-CG2 3.88Å; I79-I449 HydrophobicContact CD1-CG1 4Å; I79-I449 HydrophobicContact CG2-CD1 4.1Å; I79-I449 HydrophobicContact CG2-CG1 4.29Å
80N98.5Very high92.2Very high25 Ų2564.4 Ų64.413%0.13432%0.324CS..EExtended strand (participates in β ladder)trans-85.4100.7177.6179.111.3000109.6T82 T84 L90 T440N80-T82 WeakPolarHBondContact OD1-CB 3.21Å; N80-T82 WeakPolarHBondContact OD1-CG2 3.18Å; N80-T82 PolarHBondContact OD1-N 3.32Å; N80-T82 VanDerWaalsContact OD1-N 3.1Å; N80-T82 PolarHBondContact OD1-OG1 3.1Å; N80-T84 PolarHBondContact ND2-O 2.8Å; N80-L90 HydrophobicContact CB-CD1 3.92Å; N80-T440 CarbonylContact O-C 3.58Å; N80-T440 VanDerWaalsContact O-C 3.29Å; N80-T440 VanDerWaalsContact O-CB 3.28Å; N80-T440 WeakPolarHBondContact O-CB 3.43Å; N80-T440 VanDerWaalsContact O-O 3.06Å; N80-T440 PolarHBondContact O-OG1 2.98Å
81A98.6Very high93Very high0 Ų064.6 Ų64.60%034%0.34CS..EExtended strand (participates in β ladder)trans-10418.4174.900000112.1I79 I425 I426 L436 D437 I441I79-A81 PolarHBondContact O-N 3.22Å; A81-I425 HydrophobicContact CB-CG2 4.12Å; A81-I426 CarbonylContact C-O 3.56Å; A81-I426 VanDerWaalsContact CA-O 3.23Å; A81-I426 WeakPolarHBondContact CA-O 3.34Å; A81-I426 VanDerWaalsContact CB-O 3.31Å; A81-I426 WeakPolarHBondContact CB-O 3.49Å; A81-I426 PolarHBondContact N-O 3.07Å; A81-L436 HydrophobicContact CB-CB 4.16Å; A81-L436 HydrophobicContact CB-CD2 3.64Å; A81-L436 HydrophobicContact CB-CG 4.49Å; A81-D437 PolarHBondContact O-N 3.12Å; A81-I441 HydrophobicContact CB-CD1 3.71Å; A81-I441 HydrophobicContact CB-CG1 4.09Å
82T97.8Very high93.9Very high10 Ų1062.3 Ų62.36%0.06133%0.329CS..SBendtrans-84.2-19-177.170.60000113.3N80 T84 H87 I426 R428N80-T82 WeakPolarHBondContact OD1-CB 3.21Å; N80-T82 WeakPolarHBondContact OD1-CG2 3.18Å; N80-T82 PolarHBondContact OD1-N 3.32Å; N80-T82 VanDerWaalsContact OD1-N 3.1Å; N80-T82 PolarHBondContact OD1-OG1 3.1Å; T82-T84 PolarHBondContact O-N 2.92Å; T82-T84 PolarHBondContact OG1-N 3.39Å; T82-T84 VanDerWaalsContact OG1-N 3.07Å; T82-H87 PolarHBondContact OG1-CD2 2.93Å; T82-I426 HydrophobicContact CG2-CB 4.17Å; T82-I426 HydrophobicContact CG2-CG2 3.61Å; T82-I426 WeakPolarHBondContact CG2-O 3.08Å; T82-I426 PolarHBondContact N-O 3.31Å; T82-R428 WeakPolarHBondContact O-CD 3.4Å; T82-R428 PolarHBondContact O-NE 3.12Å
83G97.2Very high94.8Very high0 Ų059.9 Ų59.90%032%0.319CS..  trans73.311.2-171.600000113.8S385 K386 D437 T440G83-S385 WeakPolarHBondContact O-CA 3.09Å; G83-S385 WeakPolarHBondContact O-CB 3.4Å; G83-K386 PolarHBondContact O-N 3.41Å; G83-D437 WeakPolarHBondContact CA-OD2 3.4Å; G83-T440 PolarHBondContact N-OG1 3.16Å; G83-T440 VanDerWaalsContact N-OG1 3.16Å
84T96.8Very high95.3Very high22 Ų2255.5 Ų55.514%0.13531%0.308CS..BIsolated β-bridgetrans-93.9110.5171.8-55.30000109.1N80 T82 H87 K386N80-T84 PolarHBondContact ND2-O 2.8Å; T82-T84 PolarHBondContact O-N 2.92Å; T82-T84 PolarHBondContact OG1-N 3.39Å; T82-T84 VanDerWaalsContact OG1-N 3.07Å; T84-H87 HydrophobicContact CG2-CB 4.13Å; T84-K386 VanDerWaalsContact CA-O 3.27Å; T84-K386 WeakPolarHBondContact CA-O 3.38Å; T84-K386 HydrophobicContact CG2-CB 4.29Å
85V96.8Very high95.7Very high5 Ų552.8 Ų52.83%0.0328%0.283CS..SBendtrans-64.8-54.2-173.7179.40000111.7H87 T348 M351 I352 K386 I387 R439 T440V85-H87 PolarHBondContact O-N 3.13Å; V85-T348 HydrophobicContact CG1-CG2 3.98Å; V85-M351 HydrophobicContact CB-CB 4.42Å; V85-M351 HydrophobicContact CG1-CB 3.74Å; V85-M351 HydrophobicContact CG1-CG 4.48Å; V85-M351 HydrophobicContact CG1-SD 3.99Å; V85-M351 HydrophobicContact CG2-CB 3.83Å; V85-I352 HydrophobicContact CG1-CG1 4.2Å; V85-I352 HydrophobicContact CG2-CG1 4.31Å; V85-K386 PolarHBondContact N-O 3.03Å; V85-I387 PolarHBondContact N-O 3.06Å; V85-R439 HydrophobicContact CG2-CG 4.1Å; V85-T440 HydrophobicContact CG2-CG2 4.26Å
86I95.2Very high96Very high4 Ų445.6 Ų45.62%0.02125%0.246CC..SBendtrans-98.372.2178.4-53169.9000107.7T88 R92 K290 L291 T348 I387I86-T88 PolarHBondContact O-N 2.87Å; I86-R92 HydrophobicContact CG2-CB 3.94Å; I86-R92 HydrophobicContact CG2-CG 4.16Å; I86-K290 HydrophobicContact CD1-CB 4.46Å; I86-L291 HydrophobicContact CD1-CD2 3.98Å; I86-L291 HydrophobicContact CD1-CG 4.37Å; I86-T348 HydrophobicContact CD1-CG2 4.2Å; I86-T348 HydrophobicContact CG1-CG2 4.02Å; I86-I387 WeakPolarHBondContact CB-O 3.46Å; I86-I387 HydrophobicContact CD1-CG2 4.19Å; I86-I387 PolarHBondContact N-O 2.73Å
87H94.6Very high96.2Very high34 Ų3448.8 Ų48.816%0.15726%0.264CS..BIsolated β-bridgetrans-82.8106.7-176.6-165.1-50.1000111.1T82 T84 V85 N89 L90 G91 R92T82-H87 PolarHBondContact OG1-CD2 2.93Å; T84-H87 HydrophobicContact CG2-CB 4.13Å; V85-H87 PolarHBondContact O-N 3.13Å; H87-N89 VanDerWaalsContact C-N 3.33Å; H87-N89 PolarHBondContact ND1-N 2.96Å; H87-N89 PolarHBondContact O-N 2.83Å; H87-L90 HydrophobicContact CB-CB 4.05Å; H87-L90 HydrophobicContact CB-CD1 4.34Å; H87-L90 HydrophobicContact CB-CG 4.28Å; H87-L90 PolarHBondContact ND1-N 3.14Å; H87-L90 CarbonylContact O-C 3.55Å; H87-L90 PolarHBondContact O-N 2.82Å; H87-G91 PolarHBondContact O-N 3.27Å; H87-R92 PolarHBondContact O-N 3.26Å
88T91Very high96.4Very high76 Ų7645.8 Ų45.847%0.46626%0.256SS..G310 helixtrans-56.4-43.5-174.8-61.30000112.8I86 L90I86-T88 PolarHBondContact O-N 2.87Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.87Å
89N92.8Very high96.4Very high142 Ų14243.3 Ų43.376%0.75924%0.24SC*.G310 helixtrans-72.8-17.6179.7-52.5-18.7000114.3H87H87-N89 VanDerWaalsContact C-N 3.33Å; H87-N89 PolarHBondContact ND1-N 2.96Å; H87-N89 PolarHBondContact O-N 2.83Å
90L95.8Very high96.4Very high63 Ų6349.1 Ų49.133%0.3327%0.268SS..G310 helixtrans-107.818.4-176.9-55.1-177.9000112V78 N80 H87 T88 I426V78-L90 HydrophobicContact CG1-CD2 4.24Å; N80-L90 HydrophobicContact CB-CD1 3.92Å; H87-L90 HydrophobicContact CB-CB 4.05Å; H87-L90 HydrophobicContact CB-CD1 4.34Å; H87-L90 HydrophobicContact CB-CG 4.28Å; H87-L90 PolarHBondContact ND1-N 3.14Å; H87-L90 CarbonylContact O-C 3.55Å; H87-L90 PolarHBondContact O-N 2.82Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.87Å; L90-I426 HydrophobicContact CD1-CB 4.4Å; L90-I426 HydrophobicContact CD1-CG1 4.36Å; L90-I426 HydrophobicContact CD2-CG1 4.24Å
91G94.8Very high96.3Very high59 Ų5952.6 Ų52.661%0.60828%0.283SS*.THydrogen-bonded Turntrans92.713.6173.500000115.8H87 S93H87-G91 PolarHBondContact O-N 3.27Å; G91-S93 PolarHBondContact O-N 2.85Å
92R95.2Very high96.3Very high70 Ų7055.3 Ų55.326%0.26430%0.296SS..BIsolated β-bridgetrans59.1-118.7179.2-58.1174.1178164.12.3112.4I86 H87 D289I86-R92 HydrophobicContact CG2-CB 3.94Å; I86-R92 HydrophobicContact CG2-CG 4.16Å; H87-R92 PolarHBondContact O-N 3.26Å; R92-D289 HydrophobicContact CB-CB 4.49Å; R92-D289 VanDerWaalsContact CB-O 3.24Å; R92-D289 WeakPolarHBondContact CB-O 3.48Å; R92-D289 VanDerWaalsContact CD-CG 3.42Å; R92-D289 WeakPolarHBondContact CD-O 3.22Å; R92-D289 VanDerWaalsContact CD-OD2 3.23Å; R92-D289 WeakPolarHBondContact CD-OD2 3.48Å; R92-D289 IonicContact CZ-OD1 3.39Å; R92-D289 IonicContact CZ-OD2 3.5Å; R92-D289 IonicContact NE-OD2 2.69Å; R92-D289 IonicContact NH1-OD1 3.94Å; R92-D289 PolarHBondContact NH1-OD1 3.27Å; R92-D289 IonicContact NH1-OD2 3.52Å; R92-D289 PolarHBondContact NH1-OD2 2.95Å
93S96.1Very high96.3Very high12 Ų1256.4 Ų56.48%0.08430%0.301CS..SBendtrans-82.9125.6-172.9-66.20000112.4G91 D289 K290 T348G91-S93 PolarHBondContact O-N 2.85Å; S93-D289 PolarHBondContact OG-O 2.9Å; S93-K290 PolarHBondContact OG-O 3.34Å; S93-K290 VanDerWaalsContact OG-O 3.09Å; S93-T348 VanDerWaalsContact CB-OG1 3.28Å; S93-T348 WeakPolarHBondContact CB-OG1 3.42Å; S93-T348 PolarHBondContact OG-OG1 3.32Å
94S96.4Very high96.3Very high70 Ų7060.9 Ų60.949%0.4933%0.325SS..PPolyproline II helixtrans-69.1144.9164.2-59.20000110.8P347S94-P347 WeakPolarHBondContact O-CG 3.27Å
95L97.8Very high96.3Very high72 Ų7262.6 Ų62.638%0.37734%0.341SS..PPolyproline II helixtrans-89.5151.4-179-57.8177.2000111.5T99 L103 G294 P295 A328L95-T99 HydrophobicContact CB-CG2 3.79Å; L95-T99 HydrophobicContact CD1-CG2 3.75Å; L95-T99 HydrophobicContact CD2-CG2 4.34Å; L95-T99 HydrophobicContact CG-CG2 4.16Å; L95-L103 HydrophobicContact CD1-CD1 4.48Å; L95-G294 VanDerWaalsContact CD2-C 3.42Å; L95-P295 HydrophobicContact CD2-CB 4.26Å; L95-A328 HydrophobicContact CD1-CB 4.48Å
96S97.8Very high96.4Very high7 Ų763.5 Ų63.55%0.04935%0.346CS..PPolyproline II helixtrans-74.2161.4-179.961.20000113.3K98 T99 Q100 S345S96-K98 PolarHBondContact O-N 3.41Å; S96-T99 WeakPolarHBondContact O-CA 3.38Å; S96-T99 VanDerWaalsContact O-CB 3.25Å; S96-T99 WeakPolarHBondContact O-CB 3.33Å; S96-T99 PolarHBondContact O-N 2.8Å; S96-T99 PolarHBondContact OG-N 2.93Å; S96-T99 PolarHBondContact OG-OG1 2.99Å; S96-Q100 PolarHBondContact O-N 3.4Å; S96-Q100 VanDerWaalsContact O-N 3.08Å; S96-S345 WeakPolarHBondContact CB-O 3.41Å
97E97.3Very high96.4Very high146 Ų14664.4 Ų64.468%0.68235%0.353SS*.Hα-helixtrans-55.8-39.6170.3-175.8175.4-162.200111.2T99 Q100 E101E97-T99 PolarHBondContact O-N 2.77Å; E97-Q100 WeakPolarHBondContact O-CA 3.26Å; E97-Q100 WeakPolarHBondContact O-CB 3.4Å; E97-Q100 PolarHBondContact O-N 3.26Å; E97-E101 WeakPolarHBondContact O-CG 3.29Å; E97-E101 PolarHBondContact O-N 3.47Å
98K97.9Very high96.4Very high92 Ų9269.6 Ų69.640%0.438%0.375SS..Hα-helixtrans-56.3-38.4174.6-172.662179.7175.60112.8S96 E101 Q102 A331 L335S96-K98 PolarHBondContact O-N 3.41Å; K98-E101 IonicContact NZ-OE2 2.89Å; K98-Q102 WeakPolarHBondContact O-CB 3.39Å; K98-Q102 PolarHBondContact O-N 2.92Å; K98-Q102 VanDerWaalsContact O-N 3.15Å; K98-A331 HydrophobicContact CG-CB 4.32Å; K98-L335 HydrophobicContact CB-CD1 4.29Å; K98-L335 HydrophobicContact CB-CD2 4.17Å; K98-L335 HydrophobicContact CG-CD2 4.16Å
99T97.8Very high96.7Very high0 Ų072 Ų720%038%0.381CS..Hα-helixtrans-68.7-41.2175.8-620000111.2L95 S96 E97 Q102 L103 A328 T332L95-T99 HydrophobicContact CB-CG2 3.79Å; L95-T99 HydrophobicContact CD1-CG2 3.75Å; L95-T99 HydrophobicContact CD2-CG2 4.34Å; L95-T99 HydrophobicContact CG-CG2 4.16Å; S96-T99 WeakPolarHBondContact O-CA 3.38Å; S96-T99 VanDerWaalsContact O-CB 3.25Å; S96-T99 WeakPolarHBondContact O-CB 3.33Å; S96-T99 PolarHBondContact O-N 2.8Å; S96-T99 PolarHBondContact OG-N 2.93Å; S96-T99 PolarHBondContact OG-OG1 2.99Å; E97-T99 PolarHBondContact O-N 2.77Å; T99-Q102 PolarHBondContact O-N 3.39Å; T99-L103 HydrophobicContact CG2-CD1 3.88Å; T99-L103 HydrophobicContact CG2-CG 4.27Å; T99-L103 WeakPolarHBondContact O-CB 3.38Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.48Å; T99-L103 PolarHBondContact O-N 2.96Å; T99-A328 HydrophobicContact CG2-CB 3.35Å; T99-T332 PolarHBondContact OG1-OG1 3.35Å
100Q97.5Very high96.9Very high123 Ų12376.7 Ų76.758%0.57539%0.39SS*.Hα-helixtrans-60.6-47.4175.5-176.9178-4.600111.8S96 E97 Q102 L103 L104S96-Q100 PolarHBondContact O-N 3.4Å; S96-Q100 VanDerWaalsContact O-N 3.08Å; E97-Q100 WeakPolarHBondContact O-CA 3.26Å; E97-Q100 WeakPolarHBondContact O-CB 3.4Å; E97-Q100 PolarHBondContact O-N 3.26Å; Q100-Q102 VanDerWaalsContact C-N 3.33Å; Q100-Q102 PolarHBondContact O-N 3.43Å; Q100-L103 PolarHBondContact O-N 3.21Å; Q100-L104 HydrophobicContact CG-CD1 4.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.3Å; Q100-L104 PolarHBondContact O-N 3.45Å
101E98Very high97Very high98 Ų9876 Ų7646%0.45839%0.39SS..Hα-helixtrans-54.5-49.6175-69.2177.3171.600111.5E97 K98 L104 A105E97-E101 WeakPolarHBondContact O-CG 3.29Å; E97-E101 PolarHBondContact O-N 3.47Å; K98-E101 IonicContact NZ-OE2 2.89Å; E101-L104 PolarHBondContact O-N 3.08Å; E101-A105 PolarHBondContact O-N 3.08Å
102Q98.1Very high97.1Very high57 Ų5776.3 Ų76.327%0.26638%0.378SS..Hα-helixtrans-67.7-38.7-177-176.262.73.500111.9K98 T99 Q100 A105 T106 S327 A331K98-Q102 WeakPolarHBondContact O-CB 3.39Å; K98-Q102 PolarHBondContact O-N 2.92Å; K98-Q102 VanDerWaalsContact O-N 3.15Å; T99-Q102 PolarHBondContact O-N 3.39Å; Q100-Q102 VanDerWaalsContact C-N 3.33Å; Q100-Q102 PolarHBondContact O-N 3.43Å; Q102-A105 PolarHBondContact O-N 3.16Å; Q102-T106 WeakPolarHBondContact O-CB 3.47Å; Q102-T106 WeakPolarHBondContact O-CG2 3.18Å; Q102-T106 PolarHBondContact O-N 3.08Å; Q102-T106 PolarHBondContact O-OG1 3.48Å; Q102-S327 WeakPolarHBondContact CG-OG 3.48Å; Q102-S327 PolarHBondContact O-OG 3.21Å; Q102-A331 HydrophobicContact CB-CB 3.81Å; Q102-A331 HydrophobicContact CG-CB 4.03Å
103L97.8Very high97.2Very high32 Ų3274.4 Ų74.417%0.16837%0.373CS..Hα-helixtrans-63.8-43.4174.4-76.5173.2000111.7L95 T99 Q100 A105 T106 S107 M324 A328L95-L103 HydrophobicContact CD1-CD1 4.48Å; T99-L103 HydrophobicContact CG2-CD1 3.88Å; T99-L103 HydrophobicContact CG2-CG 4.27Å; T99-L103 WeakPolarHBondContact O-CB 3.38Å; T99-L103 VanDerWaalsContact O-CG 3.26Å; T99-L103 WeakPolarHBondContact O-CG 3.48Å; T99-L103 PolarHBondContact O-N 2.96Å; Q100-L103 PolarHBondContact O-N 3.21Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.91Å; L103-T106 PolarHBondContact O-N 3.06Å; L103-S107 WeakPolarHBondContact O-CA 3.42Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 3.23Å; L103-S107 PolarHBondContact O-OG 2.89Å; L103-S107 VanDerWaalsContact O-OG 3.13Å; L103-M324 HydrophobicContact CD2-CB 3.81Å; L103-M324 HydrophobicContact CD2-CG 4.49Å; L103-M324 WeakPolarHBondContact CD2-O 3.48Å; L103-A328 HydrophobicContact CD1-CB 4.32Å; L103-A328 HydrophobicContact CD2-CB 4.22Å; L103-A328 HydrophobicContact CG-CB 4.32Å
104L97.6Very high97.3Very high95 Ų9576.1 Ų76.150%0.49738%0.379SS..Hα-helixtrans-59-46.5175-74.1170.1000111.1Q100 E101 T106 F108Q100-L104 HydrophobicContact CG-CD1 4.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.3Å; Q100-L104 PolarHBondContact O-N 3.45Å; E101-L104 PolarHBondContact O-N 3.08Å; L104-T106 PolarHBondContact O-N 3.18Å; L104-F108 HydrophobicContact CD2-CD2 4.19Å; L104-F108 HydrophobicContact CD2-CE2 3.96Å
105A96.8Very high97.4Very high57 Ų5777.5 Ų77.547%0.47138%0.377SS..Hα-helixtrans-65.4-34.4-179.100000113.9E101 Q102 L103E101-A105 PolarHBondContact O-N 3.08Å; Q102-A105 PolarHBondContact O-N 3.16Å; L103-A105 VanDerWaalsContact C-N 3.34Å; L103-A105 PolarHBondContact O-N 2.91Å
106T97.1Very high97.3Very high25 Ų2576.9 Ų76.915%0.15337%0.374CS..Hα-helixtrans-111.4-21.4-168.1580000115.4Q102 L103 L104 S327Q102-T106 WeakPolarHBondContact O-CB 3.47Å; Q102-T106 WeakPolarHBondContact O-CG2 3.18Å; Q102-T106 PolarHBondContact O-N 3.08Å; Q102-T106 PolarHBondContact O-OG1 3.48Å; L103-T106 PolarHBondContact O-N 3.06Å; L104-T106 PolarHBondContact O-N 3.18Å; T106-S327 WeakPolarHBondContact OG1-CB 3.49Å; T106-S327 PolarHBondContact OG1-OG 2.94Å
107S96Very high97.3Very high22 Ų2282.5 Ų82.515%0.15440%0.403CS..Hα-helixtrans-94-28.1-174.5-56.60000113.1L103L103-S107 WeakPolarHBondContact O-CA 3.42Å; L103-S107 WeakPolarHBondContact O-CB 3.44Å; L103-S107 PolarHBondContact O-N 3.23Å; L103-S107 PolarHBondContact O-OG 2.89Å; L103-S107 VanDerWaalsContact O-OG 3.13Å
108F95.5Very high97.3Very high144 Ų14484.5 Ų84.563%0.63241%0.412SS*.SBendtrans-98.33.8-179.2-60.5-88.9000113.3L104L104-F108 HydrophobicContact CD2-CD2 4.19Å; L104-F108 HydrophobicContact CD2-CE2 3.96Å
109H95.7Very high97.2Very high126 Ų12683.2 Ų83.258%0.58342%0.415SS*.SBendtrans-133.2167.5177.1-58.2-64.7000110.7
110Y97.5Very high97.2Very high240 Ų24085.2 Ų85.294%0.94144%0.436SS*.  trans-64.9148.4164.5-66-78.2000109.6
111S97.6Very high97.2Very high49 Ų4986.3 Ų86.334%0.34344%0.438SS..  trans-142165.6-178.459.10000111.2L113S111-L113 PolarHBondContact O-N 3.43Å
112N97.4Very high97.2Very high66 Ų6690.9 Ų90.935%0.35345%0.451SS..  trans-77.331.2176.366.3-34.2000112.9E114 F115 L117 H128N112-E114 PolarHBondContact O-N 3.19Å; N112-F115 WeakPolarHBondContact CB-O 3.43Å; N112-F115 PolarHBondContact O-N 3.04Å; N112-L117 HydrophobicContact CB-CD1 4.26Å; N112-L117 HydrophobicContact CB-CD2 4.09Å; N112-L117 HydrophobicContact CB-CG 4.03Å; N112-H128 PolarHBondContact O-CE1 2.85Å; N112-H128 PolarHBondContact O-NE2 3.15Å
113L97.7Very high97Very high30 Ų3089.3 Ų89.316%0.15745%0.45CS..THydrogen-bonded Turntrans-52.6-47.3-171.8178.666000113.6S111 R125 H128 K323 L326S111-L113 PolarHBondContact O-N 3.43Å; L113-R125 HydrophobicContact CD1-CB 4.14Å; L113-R125 HydrophobicContact CG-CB 4.42Å; L113-R125 WeakPolarHBondContact O-CA 3.44Å; L113-R125 WeakPolarHBondContact O-CB 3.48Å; L113-H128 PolarHBondContact O-NE2 3.48Å; L113-K323 HydrophobicContact CD1-CB 4.1Å; L113-K323 HydrophobicContact CD2-CB 3.74Å; L113-L326 HydrophobicContact CD1-CD1 3.98Å; L113-L326 HydrophobicContact CD1-CD2 4.44Å
114E97.6Very high96.9Very high47 Ų4791 Ų9122%0.2247%0.465CS..THydrogen-bonded Turntrans-12529.8174.3-71.7-170.4-175.300110.6N112 R122 G123 R125 R320N112-E114 PolarHBondContact O-N 3.19Å; E114-R122 CarbonylContact O-C 3.55Å; E114-R122 WeakPolarHBondContact O-CA 3.42Å; E114-R122 IonicContact OE2-CZ 2.85Å; E114-R122 IonicContact OE2-NE 2.59Å; E114-R122 PolarHBondContact OE2-NE 3.4Å; E114-R122 IonicContact OE2-NH2 3.57Å; E114-R122 PolarHBondContact OE2-NH2 3.22Å; E114-G123 PolarHBondContact O-N 3.22Å; E114-R125 HydrophobicContact CG-CB 3.97Å; E114-R125 IonicContact OE1-CZ 2.79Å; E114-R125 VanDerWaalsContact OE1-CZ 3.22Å; E114-R125 IonicContact OE1-NE 3.78Å; E114-R125 PolarHBondContact OE1-NE 2.91Å; E114-R125 IonicContact OE1-NH2 3.7Å; E114-R125 PolarHBondContact OE1-NH2 3.03Å; E114-R320 IonicContact OE1-CZ 2.78Å; E114-R320 IonicContact OE1-NH1 3.12Å; E114-R320 PolarHBondContact OE1-NH1 3.39Å
115F98.1Very high96.8Very high99 Ų9987.8 Ų87.843%0.43445%0.446SS..EExtended strand (participates in β ladder)trans-127.8117.6-176.9-165-90000109.7N112 L117 G120N112-F115 WeakPolarHBondContact CB-O 3.43Å; N112-F115 PolarHBondContact O-N 3.04Å; F115-L117 HydrophobicContact CD1-CD2 4.23Å; F115-G120 WeakPolarHBondContact CZ-O 2.96Å
116D97.5Very high96.8Very high59 Ų5986 Ų8632%0.31643%0.427SS..EExtended strand (participates in β ladder)trans-82.9116.9178179.586.5000109.3E118 S119 G120 K121D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 3.39Å; D116-E118 PolarHBondContact OD2-N 3.18Å; D116-S119 WeakPolarHBondContact CB-OG 3.3Å; D116-S119 WeakPolarHBondContact OD2-CB 3.02Å; D116-S119 PolarHBondContact OD2-N 3.23Å; D116-S119 PolarHBondContact OD2-OG 2.85Å; D116-G120 WeakPolarHBondContact O-CA 3.39Å; D116-G120 PolarHBondContact O-N 3.31Å; D116-K121 PolarHBondContact N-O 3.12Å
117L97.4Very high96.7Very high126 Ų12687.8 Ų87.866%0.6644%0.441SS*.THydrogen-bonded Turntrans-70.2-30.6-173-67.1175.7000112.6N112 F115N112-L117 HydrophobicContact CB-CD1 4.26Å; N112-L117 HydrophobicContact CB-CD2 4.09Å; N112-L117 HydrophobicContact CB-CG 4.03Å; F115-L117 HydrophobicContact CD1-CD2 4.23Å
118E96.4Very high96.7Very high188 Ų18888.5 Ų88.588%0.87944%0.442SS*.THydrogen-bonded Turntrans-73-46.5-178.9-65.4-175.717800111.8D116D116-E118 VanDerWaalsContact C-N 3.34Å; D116-E118 PolarHBondContact O-N 3.39Å; D116-E118 PolarHBondContact OD2-N 3.18Å
119S96.9Very high96.9Very high65 Ų6581.7 Ų81.746%0.45541%0.412SS..THydrogen-bonded Turntrans-87-16-178.967.90000114D116 K121D116-S119 WeakPolarHBondContact CB-OG 3.3Å; D116-S119 WeakPolarHBondContact OD2-CB 3.02Å; D116-S119 PolarHBondContact OD2-N 3.23Å; D116-S119 PolarHBondContact OD2-OG 2.85Å; S119-K121 PolarHBondContact O-N 2.78Å; S119-K121 PolarHBondContact OG-N 2.87Å
120G97.4Very high96.9Very high42 Ų4277.4 Ų77.443%0.43340%0.395SS..THydrogen-bonded Turntrans66.123.7-175.500000113.6F115 D116F115-G120 WeakPolarHBondContact CZ-O 2.96Å; D116-G120 WeakPolarHBondContact O-CA 3.39Å; D116-G120 PolarHBondContact O-N 3.31Å
121K97.7Very high96.9Very high145 Ų14570.6 Ų70.663%0.6338%0.383SS*.EExtended strand (participates in β ladder)trans-125.2171.2-173.8-68.7176.3-173.1176.10111.4D116 S119 G123D116-K121 PolarHBondContact N-O 3.12Å; S119-K121 PolarHBondContact O-N 2.78Å; S119-K121 PolarHBondContact OG-N 2.87Å; K121-G123 PolarHBondContact O-N 3.32Å
122R97Very high96.9Very high194 Ų19469.3 Ų69.373%0.73237%0.371SS*.EExtended strand (participates in β ladder)trans-61.1125.8173.7-172.3178.8-175.7-175.11.3110.5E114E114-R122 CarbonylContact O-C 3.55Å; E114-R122 WeakPolarHBondContact O-CA 3.42Å; E114-R122 IonicContact OE2-CZ 2.85Å; E114-R122 IonicContact OE2-NE 2.59Å; E114-R122 PolarHBondContact OE2-NE 3.4Å; E114-R122 IonicContact OE2-NH2 3.57Å; E114-R122 PolarHBondContact OE2-NH2 3.22Å
123G95.5Very high96.9Very high24 Ų2466.3 Ų66.325%0.24736%0.355CS..  trans-112.3173.6175.600000112.9E114 K121E114-G123 PolarHBondContact O-N 3.22Å; K121-G123 PolarHBondContact O-N 3.32Å
124S94.6Very high97Very high69 Ų6968.8 Ų68.848%0.48337%0.365SS..  trans-83.8127.7171.4176.40000109.7Y126 S127S124-Y126 PolarHBondContact O-N 2.96Å; S124-Y126 WeakPolarHBondContact OG-CD2 3.47Å; S124-Y126 PolarHBondContact OG-N 2.98Å; S124-S127 WeakPolarHBondContact O-CB 3.28Å; S124-S127 PolarHBondContact O-N 3.43Å; S124-S127 PolarHBondContact O-OG 2.95Å
125R96.3Very high97Very high26 Ų2674 Ų7410%0.09839%0.387CS..THydrogen-bonded Turntrans-56.2-27.8174.567.7177.166.7-165.5-10113.7L113 E114 S127 H128 I321 L326L113-R125 HydrophobicContact CD1-CB 4.14Å; L113-R125 HydrophobicContact CG-CB 4.42Å; L113-R125 WeakPolarHBondContact O-CA 3.44Å; L113-R125 WeakPolarHBondContact O-CB 3.48Å; E114-R125 HydrophobicContact CG-CB 3.97Å; E114-R125 IonicContact OE1-CZ 2.79Å; E114-R125 VanDerWaalsContact OE1-CZ 3.22Å; E114-R125 IonicContact OE1-NE 3.78Å; E114-R125 PolarHBondContact OE1-NE 2.91Å; E114-R125 IonicContact OE1-NH2 3.7Å; E114-R125 PolarHBondContact OE1-NH2 3.03Å; R125-S127 PolarHBondContact O-N 2.97Å; R125-H128 PolarHBondContact O-CD2 2.83Å; R125-I321 PolarHBondContact NH1-O 3.08Å; R125-L326 HydrophobicContact CB-CD1 3.89Å; R125-L326 HydrophobicContact CG-CD1 4.17Å; R125-L326 WeakPolarHBondContact O-CD1 3.38Å
126Y95.6Very high96.9Very high19 Ų1970.9 Ų70.98%0.07538%0.375CS..THydrogen-bonded Turntrans-68-19.3-178.6-58.4-61000113S124 H128 L129 V130 L143 V144 L316 R320 I321S124-Y126 PolarHBondContact O-N 2.96Å; S124-Y126 WeakPolarHBondContact OG-CD2 3.47Å; S124-Y126 PolarHBondContact OG-N 2.98Å; Y126-H128 PolarHBondContact O-N 2.94Å; Y126-H128 VanDerWaalsContact O-N 3.15Å; Y126-L129 PolarHBondContact O-N 2.72Å; Y126-V130 WeakPolarHBondContact O-CG2 3.33Å; Y126-V130 PolarHBondContact O-N 2.96Å; Y126-L143 HydrophobicContact CD1-CD1 4.26Å; Y126-L143 HydrophobicContact CD2-CD1 3.9Å; Y126-L143 HydrophobicContact CE1-CD1 4.16Å; Y126-L143 HydrophobicContact CE2-CD1 3.77Å; Y126-L143 HydrophobicContact CG-CD1 4.12Å; Y126-V144 WeakPolarHBondContact CE1-O 3.47Å; Y126-V144 PolarHBondContact OH-O 3.15Å; Y126-L316 HydrophobicContact CE2-CD2 4.24Å; Y126-L316 VanDerWaalsContact OH-CD1 3.31Å; Y126-L316 WeakPolarHBondContact OH-CD1 3.48Å; Y126-R320 WeakPolarHBondContact OH-CG 3.29Å; Y126-I321 HydrophobicContact CE1-CD1 4.46Å; Y126-I321 HydrophobicContact CE1-CG1 4.2Å
127S95.4Very high96.9Very high63 Ų6368.1 Ų68.144%0.44136%0.36SS..Hα-helixtrans-56.1-33.4-17960.90000112.9S124 R125 L129 V130S124-S127 WeakPolarHBondContact O-CB 3.28Å; S124-S127 PolarHBondContact O-N 3.43Å; S124-S127 PolarHBondContact O-OG 2.95Å; R125-S127 PolarHBondContact O-N 2.97Å; S127-L129 PolarHBondContact O-N 3.34Å; S127-V130 PolarHBondContact O-N 3.4Å
128H97.1Very high96.9Very high37 Ų3764.8 Ų64.817%0.17136%0.356CS..Hα-helixtrans-61.6-28.2179.5-54.9-47.6000112.7N112 L113 R125 Y126 L326N112-H128 PolarHBondContact O-CE1 2.85Å; N112-H128 PolarHBondContact O-NE2 3.15Å; L113-H128 PolarHBondContact O-NE2 3.48Å; R125-H128 PolarHBondContact O-CD2 2.83Å; Y126-H128 PolarHBondContact O-N 2.94Å; Y126-H128 VanDerWaalsContact O-N 3.15Å; H128-L326 HydrophobicContact CB-CD2 4.14Å
129L97.7Very high97Very high2 Ų256.1 Ų56.11%0.0132%0.317CS..Hα-helixtrans-100.5-21.1-178.2-63.3172.6000113.6Y126 S127 S131 I132 V133 V144 I321 L326 L329 E330 L333Y126-L129 PolarHBondContact O-N 2.72Å; S127-L129 PolarHBondContact O-N 3.34Å; L129-S131 PolarHBondContact O-N 3.05Å; L129-I132 WeakPolarHBondContact O-CG2 3.46Å; L129-I132 PolarHBondContact O-N 3.22Å; L129-V133 HydrophobicContact CB-CG2 4.38Å; L129-V133 WeakPolarHBondContact O-CB 3.38Å; L129-V133 VanDerWaalsContact O-CG2 3.28Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 2.94Å; L129-V144 HydrophobicContact CD1-CB 4.25Å; L129-V144 HydrophobicContact CD1-CG2 3.81Å; L129-I321 HydrophobicContact CD1-CD1 4.06Å; L129-L326 HydrophobicContact CD1-CG 4.21Å; L129-L326 HydrophobicContact CG-CG 4.47Å; L129-L329 HydrophobicContact CD1-CD2 3.92Å; L129-L329 HydrophobicContact CD2-CB 4.41Å; L129-L329 HydrophobicContact CD2-CD2 4.46Å; L129-L329 HydrophobicContact CD2-CG 4.26Å; L129-E330 HydrophobicContact CD2-CB 3.72Å; L129-E330 HydrophobicContact CD2-CG 4.43Å; L129-L333 HydrophobicContact CD2-CD1 4.17Å
130V96.9Very high97.1Very high35 Ų3557 Ų5721%0.21231%0.313CS..Hα-helixtrans-58.9-50.9-171.4168.70000111.7Y126 S127 I132 K134Y126-V130 WeakPolarHBondContact O-CG2 3.33Å; Y126-V130 PolarHBondContact O-N 2.96Å; S127-V130 PolarHBondContact O-N 3.4Å; V130-I132 PolarHBondContact O-N 3.27Å; V130-K134 HydrophobicContact CG1-CD 3.67Å; V130-K134 HydrophobicContact CG1-CG 4.35Å; V130-K134 VanDerWaalsContact O-CB 3.3Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.42Å; V130-K134 PolarHBondContact O-N 2.7Å
131S96.9Very high97.1Very high98 Ų9855.4 Ų55.469%0.68530%0.295SS*.Hα-helixtrans-61-48.2-174.7-176.40000111.6L129 K135L129-S131 PolarHBondContact O-N 3.05Å; S131-K135 WeakPolarHBondContact O-CB 3.5Å; S131-K135 PolarHBondContact O-N 3.39Å
132I98Very high97.1Very high21 Ų2148.6 Ų48.611%0.10827%0.266CS..Hα-helixtrans-71.2-44.4-175.5-170.7162.7000112.6L129 V130 K134 K135 L136 L333 S334 L337L129-I132 WeakPolarHBondContact O-CG2 3.46Å; L129-I132 PolarHBondContact O-N 3.22Å; V130-I132 PolarHBondContact O-N 3.27Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.77Å; I132-K135 WeakPolarHBondContact O-CB 3.45Å; I132-K135 PolarHBondContact O-N 3.29Å; I132-L136 HydrophobicContact CG1-CD1 4.04Å; I132-L136 HydrophobicContact CG1-CG 4.49Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 2.89Å; I132-L333 HydrophobicContact CD1-CB 3.75Å; I132-L333 WeakPolarHBondContact CD1-O 3.33Å; I132-L333 HydrophobicContact CG1-CB 4.04Å; I132-L333 HydrophobicContact CG2-CB 4.31Å; I132-L333 HydrophobicContact CG2-CD1 4.22Å; I132-S334 VanDerWaalsContact CD1-CA 3.44Å; I132-S334 VanDerWaalsContact CD1-N 3.28Å; I132-L337 HydrophobicContact CD1-CD1 4.15Å; I132-L337 HydrophobicContact CD1-CD2 4.46Å; I132-L337 HydrophobicContact CD1-CG 4.2Å; I132-L337 HydrophobicContact CG1-CD2 4.2Å; I132-L337 HydrophobicContact CG1-CG 4.47Å
133V97.9Very high97.2Very high3 Ų339.4 Ų39.42%0.01823%0.231CC..Hα-helixtrans-65.4-40.7179.3176.10000110.4L129 K135 L136 T137 V142 I299 V301 L333L129-V133 HydrophobicContact CB-CG2 4.38Å; L129-V133 WeakPolarHBondContact O-CB 3.38Å; L129-V133 VanDerWaalsContact O-CG2 3.28Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 2.94Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 3.21Å; V133-L136 PolarHBondContact O-N 3.44Å; V133-T137 HydrophobicContact CG1-CG2 4.07Å; V133-T137 WeakPolarHBondContact O-CB 3.37Å; V133-T137 WeakPolarHBondContact O-CG2 3.48Å; V133-T137 PolarHBondContact O-N 3.2Å; V133-T137 PolarHBondContact O-OG1 3.19Å; V133-V142 HydrophobicContact CB-CB 4.39Å; V133-V142 HydrophobicContact CB-CG1 3.87Å; V133-V142 HydrophobicContact CB-CG2 3.75Å; V133-V142 HydrophobicContact CG1-CB 4.24Å; V133-V142 HydrophobicContact CG1-CG1 3.65Å; V133-V142 HydrophobicContact CG1-CG2 3.5Å; V133-V142 VanDerWaalsContact CG1-CG2 3.5Å; V133-V142 HydrophobicContact CG2-CG1 4.15Å; V133-I299 HydrophobicContact CG1-CG2 4.36Å; V133-V301 HydrophobicContact CG1-CG1 3.52Å; V133-L333 HydrophobicContact CG2-CD1 3.43Å; V133-L333 VanDerWaalsContact CG2-CD1 3.43Å
134K98.2Very high97.3Very high83 Ų8338.3 Ų38.336%0.36122%0.22SC..Hα-helixtrans-60.9-42174.4-72.9-179.359.5160.20112V130 I132 L136 T137 G138 A139 E140 V142V130-K134 HydrophobicContact CG1-CD 3.67Å; V130-K134 HydrophobicContact CG1-CG 4.35Å; V130-K134 VanDerWaalsContact O-CB 3.3Å; V130-K134 WeakPolarHBondContact O-CB 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.42Å; V130-K134 PolarHBondContact O-N 2.7Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.77Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.59Å; K134-T137 PolarHBondContact O-N 2.97Å; K134-G138 WeakPolarHBondContact O-CA 3.1Å; K134-G138 PolarHBondContact O-N 3.44Å; K134-A139 WeakPolarHBondContact CE-O 3.3Å; K134-A139 WeakPolarHBondContact CG-O 3.33Å; K134-E140 WeakPolarHBondContact CE-O 3.32Å; K134-E140 PolarHBondContact NZ-O 3.04Å; K134-V142 HydrophobicContact CG-CG2 3.81Å
135K97.6Very high97.5Very high155 Ų15535 Ų3567%0.67420%0.197SC*.Hα-helixtrans-61.6-39.7177.4-175.8174.4174.2-171.80112.2S131 I132 V133 L337S131-K135 WeakPolarHBondContact O-CB 3.5Å; S131-K135 PolarHBondContact O-N 3.39Å; I132-K135 WeakPolarHBondContact O-CB 3.45Å; I132-K135 PolarHBondContact O-N 3.29Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 3.21Å; K135-L337 HydrophobicContact CD-CD2 3.71Å; K135-L337 HydrophobicContact CG-CD2 4.3Å
136L97.6Very high97.6Very high34 Ų3437.1 Ų37.118%0.17821%0.209CC..Hα-helixtrans-77.6-32.5-179.2-67.1171.2000113.4I132 V133 K134 L259 L333 Y336 L337I132-L136 HydrophobicContact CG1-CD1 4.04Å; I132-L136 HydrophobicContact CG1-CG 4.49Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 2.89Å; V133-L136 PolarHBondContact O-N 3.44Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.59Å; L136-L259 HydrophobicContact CD1-CD1 4.22Å; L136-L333 HydrophobicContact CD1-CB 3.97Å; L136-L333 HydrophobicContact CD1-CD2 3.68Å; L136-L333 HydrophobicContact CD1-CG 4.41Å; L136-Y336 VanDerWaalsContact CD2-O 3.3Å; L136-Y336 WeakPolarHBondContact CD2-O 3.46Å; L136-L337 HydrophobicContact CD2-CD2 4.1Å; L136-L337 HydrophobicContact CG-CD2 4.46Å
137T97.7Very high97.7Very high2 Ų238.1 Ų38.11%0.01222%0.216CC..Hα-helixtrans-107.7-19.7-169.8620000114.2V133 K134 A139 L259 V273 L277 V301V133-T137 HydrophobicContact CG1-CG2 4.07Å; V133-T137 WeakPolarHBondContact O-CB 3.37Å; V133-T137 WeakPolarHBondContact O-CG2 3.48Å; V133-T137 PolarHBondContact O-N 3.2Å; V133-T137 PolarHBondContact O-OG1 3.19Å; K134-T137 PolarHBondContact O-N 2.97Å; T137-A139 PolarHBondContact O-N 2.94Å; T137-A139 WeakPolarHBondContact OG1-CB 3.02Å; T137-A139 PolarHBondContact OG1-N 3.2Å; T137-L259 HydrophobicContact CG2-CD2 4.34Å; T137-V273 HydrophobicContact CG2-CB 4.34Å; T137-V273 HydrophobicContact CG2-CG1 3.6Å; T137-L277 VanDerWaalsContact O-CD1 3.28Å; T137-L277 WeakPolarHBondContact O-CD1 3.43Å; T137-V301 HydrophobicContact CG2-CG1 4.33Å
138G97.2Very high97.7Very high55 Ų5535.7 Ų35.757%0.56720%0.198SC*.  trans74.93.6-171.300000114.5K134K134-G138 WeakPolarHBondContact O-CA 3.1Å; K134-G138 PolarHBondContact O-N 3.44Å
139A98.2Very high97.6Very high7 Ų735.3 Ų35.36%0.05820%0.202CC..  trans-64.7154.6-179.700000113.5K134 T137 L277 V301K134-A139 WeakPolarHBondContact CE-O 3.3Å; K134-A139 WeakPolarHBondContact CG-O 3.33Å; T137-A139 PolarHBondContact O-N 2.94Å; T137-A139 WeakPolarHBondContact OG1-CB 3.02Å; T137-A139 PolarHBondContact OG1-N 3.2Å; A139-L277 HydrophobicContact CB-CD1 3.9Å; A139-V301 HydrophobicContact CB-CB 3.72Å; A139-V301 HydrophobicContact CB-CG1 4.45Å
140E98.3Very high97.5Very high82 Ų8235.6 Ų35.638%0.38320%0.204SC..SBendtrans-76-38.4176.9-62.8177.5-172.800111.8K134 G302 K303 K304K134-E140 WeakPolarHBondContact CE-O 3.32Å; K134-E140 PolarHBondContact NZ-O 3.04Å; E140-G302 WeakPolarHBondContact CB-O 3.44Å; E140-G302 PolarHBondContact N-O 3.34Å; E140-K303 VanDerWaalsContact CD-CD 3.41Å; E140-K303 HydrophobicContact CG-CD 4.42Å; E140-K303 WeakPolarHBondContact OE1-CD 3.48Å; E140-K303 IonicContact OE1-NZ 3.98Å; E140-K303 PolarHBondContact OE1-NZ 3.25Å; E140-K303 WeakPolarHBondContact OE2-CA 3.49Å; E140-K304 HydrophobicContact CB-CB 4.09Å; E140-K304 PolarHBondContact OE2-N 3.04Å
141D98Very high97.6Very high10 Ų1033.9 Ų33.95%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-150.3167.2177.2-151.5-18.7000111.3G302 K304 I307 K311D141-G302 PolarHBondContact N-O 3.13Å; D141-G302 VanDerWaalsContact N-O 3.12Å; D141-G302 PolarHBondContact O-N 3.38Å; D141-K304 HydrophobicContact CB-CB 4.16Å; D141-K304 HydrophobicContact CB-CG 4.28Å; D141-K304 IonicContact OD2-NZ 3.64Å; D141-K304 PolarHBondContact OD2-NZ 2.93Å; D141-K304 VanDerWaalsContact OD2-NZ 3.12Å; D141-I307 HydrophobicContact CB-CB 3.95Å; D141-I307 HydrophobicContact CB-CG1 4.18Å; D141-I307 HydrophobicContact CB-CG2 3.83Å; D141-K311 IonicContact OD1-NZ 2.74Å; D141-K311 PolarHBondContact OD1-NZ 3Å; D141-K311 IonicContact OD2-NZ 3.26Å; D141-K311 PolarHBondContact OD2-NZ 3.11Å
142V98Very high97.6Very high2 Ų229.5 Ų29.51%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-139.1142.5-1691800000110V133 K134 V144 I300 V301V133-V142 HydrophobicContact CB-CB 4.39Å; V133-V142 HydrophobicContact CB-CG1 3.87Å; V133-V142 HydrophobicContact CB-CG2 3.75Å; V133-V142 HydrophobicContact CG1-CB 4.24Å; V133-V142 HydrophobicContact CG1-CG1 3.65Å; V133-V142 HydrophobicContact CG1-CG2 3.5Å; V133-V142 VanDerWaalsContact CG1-CG2 3.5Å; V133-V142 HydrophobicContact CG2-CG1 4.15Å; K134-V142 HydrophobicContact CG-CG2 3.81Å; V142-V144 HydrophobicContact CG1-CG2 4.21Å; V142-I300 WeakPolarHBondContact CA-O 3.4Å; V142-V301 HydrophobicContact CG1-CG1 4.39Å; V142-V301 HydrophobicContact CG2-CG1 4.19Å
143L98.1Very high97.5Very high1 Ų130.8 Ų30.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-138.5145.5167.8-171.460.9000109.7Y126 L154 I300 I307 M310 K311 L316Y126-L143 HydrophobicContact CD1-CD1 4.26Å; Y126-L143 HydrophobicContact CD2-CD1 3.9Å; Y126-L143 HydrophobicContact CE1-CD1 4.16Å; Y126-L143 HydrophobicContact CE2-CD1 3.77Å; Y126-L143 HydrophobicContact CG-CD1 4.12Å; L143-L154 HydrophobicContact CD2-CD2 3.75Å; L143-I300 HydrophobicContact CB-CB 4.29Å; L143-I300 HydrophobicContact CB-CD1 4.44Å; L143-I300 HydrophobicContact CD2-CD1 4.31Å; L143-I300 PolarHBondContact N-O 2.9Å; L143-I300 PolarHBondContact O-N 2.62Å; L143-I300 VanDerWaalsContact O-O 3.14Å; L143-I307 HydrophobicContact CB-CD1 4.44Å; L143-I307 HydrophobicContact CB-CG2 4.24Å; L143-M310 HydrophobicContact CD2-CB 3.69Å; L143-K311 HydrophobicContact CD1-CG 4.06Å; L143-K311 HydrophobicContact CD2-CG 4.43Å; L143-L316 HydrophobicContact CD1-CD1 4.02Å; L143-L316 HydrophobicContact CD1-CD2 3.93Å; L143-L316 HydrophobicContact CD2-CD1 3.92Å; L143-L316 HydrophobicContact CD2-CD2 4.06Å; L143-L316 HydrophobicContact CG-CD1 4.15Å
144V98.5Very high97.5Very high1 Ų130.6 Ų30.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-129.5134.9178.7-170.80000110Y126 L129 V142 A297 G298 I299 I321 L329Y126-V144 WeakPolarHBondContact CE1-O 3.47Å; Y126-V144 PolarHBondContact OH-O 3.15Å; L129-V144 HydrophobicContact CD1-CB 4.25Å; L129-V144 HydrophobicContact CD1-CG2 3.81Å; V142-V144 HydrophobicContact CG1-CG2 4.21Å; V144-A297 HydrophobicContact CG1-CB 3.97Å; V144-G298 CarbonylContact C-O 3.59Å; V144-G298 WeakPolarHBondContact CA-O 3.37Å; V144-I299 HydrophobicContact CG1-CG1 4.32Å; V144-I299 HydrophobicContact CG2-CG1 4.42Å; V144-I299 HydrophobicContact CG2-CG2 4.33Å; V144-I321 HydrophobicContact CB-CD1 3.97Å; V144-I321 HydrophobicContact CG1-CD1 3.87Å; V144-I321 HydrophobicContact CG1-CG2 3.85Å; V144-L329 HydrophobicContact CG1-CD2 3.79Å; V144-L329 HydrophobicContact CG2-CD2 4.35Å
145V98.6Very high97.5Very high0 Ų026.7 Ų26.70%015%0.152CC..EExtended strand (participates in β ladder)trans-130.3175-178.7-62.90000110.7N147 A150 A151 L154 G298 I300 L316 L319 I321V145-N147 VanDerWaalsContact C-N 3.33Å; V145-N147 PolarHBondContact O-N 2.91Å; V145-A150 HydrophobicContact CB-CB 4.38Å; V145-A150 HydrophobicContact CG2-CB 3.97Å; V145-A151 HydrophobicContact CG2-CB 3.71Å; V145-L154 HydrophobicContact CG1-CD2 3.74Å; V145-G298 WeakPolarHBondContact CG2-O 3.43Å; V145-G298 PolarHBondContact N-O 3.15Å; V145-G298 PolarHBondContact O-N 2.61Å; V145-I300 HydrophobicContact CG1-CD1 4.5Å; V145-I300 HydrophobicContact CG2-CD1 4.49Å; V145-L316 HydrophobicContact CG1-CD1 3.69Å; V145-L319 CarbonylContact C-O 3.59Å; V145-L319 VanDerWaalsContact CA-O 3.3Å; V145-L319 WeakPolarHBondContact CA-O 3.43Å; V145-L319 HydrophobicContact CB-CB 4.14Å; V145-L319 WeakPolarHBondContact CB-O 3.22Å; V145-L319 HydrophobicContact CG1-CB 4.21Å; V145-I321 WeakPolarHBondContact O-CG2 3.32Å
146N98.2Very high97.6Very high69 Ų6919.4 Ų19.437%0.36912%0.12SC..SBendtrans-48.7-45.8-170.7-176.543.6000114.9A150 Q296 A297 L319N146-A150 HydrophobicContact CB-CB 4.37Å; N146-Q296 PolarHBondContact O-NE2 2.61Å; N146-A297 WeakPolarHBondContact O-CA 3.2Å; N146-L319 PolarHBondContact N-O 3.41Å
147N96.9Very high97.6Very high41 Ų4118.7 Ų18.722%0.21912%0.118CC..SBendtrans-158.6173.117860.822000110V145 A149 A150 A151 Q296 A297 G298V145-N147 VanDerWaalsContact C-N 3.33Å; V145-N147 PolarHBondContact O-N 2.91Å; N147-A149 VanDerWaalsContact C-N 3.27Å; N147-A149 PolarHBondContact O-N 3.12Å; N147-A149 WeakPolarHBondContact OD1-CB 3.37Å; N147-A149 PolarHBondContact OD1-N 3.33Å; N147-A150 WeakPolarHBondContact O-CB 3.41Å; N147-A150 PolarHBondContact O-N 3.45Å; N147-A150 VanDerWaalsContact O-N 3.15Å; N147-A150 WeakPolarHBondContact OD1-CB 3.43Å; N147-A150 PolarHBondContact OD1-N 2.83Å; N147-A151 PolarHBondContact O-N 3.43Å; N147-Q296 HydrophobicContact CB-CG 3.89Å; N147-A297 VanDerWaalsContact CA-C 3.48Å; N147-G298 VanDerWaalsContact C-N 3.35Å; N147-G298 VanDerWaalsContact CA-N 3.3Å; N147-G298 VanDerWaalsContact O-CA 3.32Å; N147-G298 WeakPolarHBondContact O-CA 3.38Å
148N95.9Very high97.6Very high11 Ų1120.1 Ų20.16%0.05913%0.127CC..Hα-helixtrans-63.3-31.6-179-167.155.1000113.6A150 A151 V152 D253 T285 F286 S287N148-A150 VanDerWaalsContact C-N 3.32Å; N148-A150 PolarHBondContact O-N 3.22Å; N148-A151 WeakPolarHBondContact O-CA 3.42Å; N148-A151 VanDerWaalsContact O-CB 3.3Å; N148-A151 WeakPolarHBondContact O-CB 3.2Å; N148-A151 PolarHBondContact O-N 3.34Å; N148-V152 WeakPolarHBondContact O-CG2 3.34Å; N148-V152 PolarHBondContact O-N 3.19Å; N148-D253 PolarHBondContact ND2-OD1 2.98Å; N148-T285 VanDerWaalsContact OD1-C 3.3Å; N148-T285 WeakPolarHBondContact OD1-CB 3.37Å; N148-F286 VanDerWaalsContact OD1-C 3.24Å; N148-F286 WeakPolarHBondContact OD1-CA 3.39Å; N148-F286 PolarHBondContact OD1-N 2.96Å; N148-F286 PolarHBondContact OD1-O 3.35Å; N148-S287 VanDerWaalsContact CB-OG 3.3Å; N148-S287 WeakPolarHBondContact CB-OG 3.32Å
149A94.4Very high97.6Very high30 Ų3018.4 Ų18.425%0.24811%0.105CC..Hα-helixtrans-59.3-44.3173.500000111.8N147 A151 L153 F179N147-A149 VanDerWaalsContact C-N 3.27Å; N147-A149 PolarHBondContact O-N 3.12Å; N147-A149 WeakPolarHBondContact OD1-CB 3.37Å; N147-A149 PolarHBondContact OD1-N 3.33Å; A149-A151 VanDerWaalsContact C-N 3.29Å; A149-A151 PolarHBondContact O-N 2.92Å; A149-L153 WeakPolarHBondContact O-CB 3.4Å; A149-L153 PolarHBondContact O-N 2.74Å; A149-F179 VanDerWaalsContact CA-CE2 3.44Å; A149-F179 HydrophobicContact CB-CD2 3.42Å; A149-F179 VanDerWaalsContact CB-CD2 3.42Å; A149-F179 HydrophobicContact CB-CE2 3.27Å; A149-F179 HydrophobicContact CB-CG 4.17Å; A149-F179 HydrophobicContact CB-CZ 3.93Å
150A96.6Very high97.5Very high7 Ų718.1 Ų18.16%0.05810%0.102CC..Hα-helixtrans-65-32.9172.800000112.2V145 N146 N147 N148 L154 L319V145-A150 HydrophobicContact CB-CB 4.38Å; V145-A150 HydrophobicContact CG2-CB 3.97Å; N146-A150 HydrophobicContact CB-CB 4.37Å; N147-A150 WeakPolarHBondContact O-CB 3.41Å; N147-A150 PolarHBondContact O-N 3.45Å; N147-A150 VanDerWaalsContact O-N 3.15Å; N147-A150 WeakPolarHBondContact OD1-CB 3.43Å; N147-A150 PolarHBondContact OD1-N 2.83Å; N148-A150 VanDerWaalsContact C-N 3.32Å; N148-A150 PolarHBondContact O-N 3.22Å; A150-L154 VanDerWaalsContact O-CB 3.29Å; A150-L154 WeakPolarHBondContact O-CB 3.37Å; A150-L154 PolarHBondContact O-N 2.79Å; A150-L319 HydrophobicContact CB-CB 4.26Å; A150-L319 HydrophobicContact CB-CD1 3.98Å; A150-L319 HydrophobicContact CB-CD2 3.82Å; A150-L319 HydrophobicContact CB-CG 4.23Å; A150-L319 WeakPolarHBondContact O-CD1 3.47Å
151A98Very high97.4Very high0 Ų020.1 Ų20.10%011%0.111CC..Hα-helixtrans-64.5-52.8176.600000111.1V145 N147 N148 A149 L153 L154 V155 T285 I300V145-A151 HydrophobicContact CG2-CB 3.71Å; N147-A151 PolarHBondContact O-N 3.43Å; N148-A151 WeakPolarHBondContact O-CA 3.42Å; N148-A151 VanDerWaalsContact O-CB 3.3Å; N148-A151 WeakPolarHBondContact O-CB 3.2Å; N148-A151 PolarHBondContact O-N 3.34Å; A149-A151 VanDerWaalsContact C-N 3.29Å; A149-A151 PolarHBondContact O-N 2.92Å; A151-L153 VanDerWaalsContact C-N 3.34Å; A151-L153 PolarHBondContact O-N 2.88Å; A151-L154 PolarHBondContact O-N 3.03Å; A151-V155 VanDerWaalsContact O-CG2 3.27Å; A151-V155 WeakPolarHBondContact O-CG2 3.33Å; A151-V155 PolarHBondContact O-N 2.92Å; A151-T285 HydrophobicContact CB-CG2 3.99Å; A151-I300 HydrophobicContact CB-CD1 4.1Å; A151-I300 HydrophobicContact CB-CG1 3.71Å
152V97Very high97.3Very high5 Ų527.4 Ų27.43%0.0315%0.145CC..Hα-helixtrans-58.7-46.1177.4177.70000110.9N148 L154 V155 L156 F179 V184 D253N148-V152 WeakPolarHBondContact O-CG2 3.34Å; N148-V152 PolarHBondContact O-N 3.19Å; V152-L154 PolarHBondContact O-N 2.8Å; V152-V155 PolarHBondContact O-N 2.82Å; V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 HydrophobicContact CG1-CG 4.38Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 2.72Å; V152-F179 HydrophobicContact CB-CZ 4.21Å; V152-F179 HydrophobicContact CG1-CZ 4.43Å; V152-V184 HydrophobicContact CG1-CG1 3.99Å; V152-D253 HydrophobicContact CG2-CB 4.03Å
153L96.9Very high97.3Very high48 Ų4831.9 Ų31.925%0.25117%0.165SC..Hα-helixtrans-58.3-45.6175.8177.965.3000112.2A149 A151 S157 V184 S188 L315A149-L153 WeakPolarHBondContact O-CB 3.4Å; A149-L153 PolarHBondContact O-N 2.74Å; A151-L153 VanDerWaalsContact C-N 3.34Å; A151-L153 PolarHBondContact O-N 2.88Å; L153-S157 WeakPolarHBondContact O-CB 3.25Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 3.12Å; L153-V184 HydrophobicContact CB-CG1 4.21Å; L153-V184 HydrophobicContact CD1-CG1 4.34Å; L153-S188 WeakPolarHBondContact CD1-OG 3.24Å; L153-L315 HydrophobicContact CD2-CD2 4.22Å; L153-L315 HydrophobicContact CG-CD2 4.03Å
154L98.3Very high97.3Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-65.5-42.2179.2-178.462000111.8L143 V145 A150 A151 V152 S157 T158 I300 M310 N313 L315 L316 L319L143-L154 HydrophobicContact CD2-CD2 3.75Å; V145-L154 HydrophobicContact CG1-CD2 3.74Å; A150-L154 VanDerWaalsContact O-CB 3.29Å; A150-L154 WeakPolarHBondContact O-CB 3.37Å; A150-L154 PolarHBondContact O-N 2.79Å; A151-L154 PolarHBondContact O-N 3.03Å; V152-L154 PolarHBondContact O-N 2.8Å; L154-S157 WeakPolarHBondContact CA-OG 3.33Å; L154-S157 PolarHBondContact O-OG 2.77Å; L154-T158 VanDerWaalsContact O-CB 3.26Å; L154-T158 WeakPolarHBondContact O-CB 3.38Å; L154-T158 PolarHBondContact O-N 3.26Å; L154-T158 VanDerWaalsContact O-N 3.12Å; L154-T158 PolarHBondContact O-OG1 3.07Å; L154-I300 HydrophobicContact CD2-CD1 4.06Å; L154-M310 HydrophobicContact CD2-CB 4.28Å; L154-M310 HydrophobicContact CG-CB 4.33Å; L154-M310 HydrophobicContact CG-CG 4.46Å; L154-N313 HydrophobicContact CD1-CB 4.03Å; L154-L315 HydrophobicContact CD1-CB 4.17Å; L154-L315 HydrophobicContact CD1-CD2 4.46Å; L154-L315 HydrophobicContact CD1-CG 4.48Å; L154-L316 HydrophobicContact CD1-CB 4.38Å; L154-L316 HydrophobicContact CD2-CB 4.3Å; L154-L316 HydrophobicContact CD2-CD1 3.85Å; L154-L319 HydrophobicContact CB-CD1 4.03Å
155V98.5Very high97.3Very high1 Ų134 Ų341%0.00617%0.174CC..Hα-helixtrans-61.6-53.5178.8172.30000110.1A151 V152 T158 L159 I251 I283 T285 I300 M310A151-V155 VanDerWaalsContact O-CG2 3.27Å; A151-V155 WeakPolarHBondContact O-CG2 3.33Å; A151-V155 PolarHBondContact O-N 2.92Å; V152-V155 PolarHBondContact O-N 2.82Å; V155-T158 PolarHBondContact O-N 2.87Å; V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.67Å; V155-I251 HydrophobicContact CG1-CD1 3.7Å; V155-I251 HydrophobicContact CG1-CG1 3.97Å; V155-I251 HydrophobicContact CG1-CG2 3.79Å; V155-I283 HydrophobicContact CG1-CG2 3.95Å; V155-I283 HydrophobicContact CG2-CG2 3.8Å; V155-T285 HydrophobicContact CG2-CG2 3.81Å; V155-I300 HydrophobicContact CG2-CD1 4.13Å; V155-I300 HydrophobicContact CG2-CG2 3.96Å; V155-M310 HydrophobicContact CG1-CE 4.45Å; V155-M310 HydrophobicContact CG2-CE 3.92Å; V155-M310 HydrophobicContact CG2-SD 3.7Å
156L98.1Very high97.3Very high1 Ų134 Ų341%0.00517%0.174CC..Hα-helixtrans-65.5-46.4-177.5-66.2173.5000111.6V152 T158 L159 T160 V165 V184 I185 S188 I251V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 HydrophobicContact CG1-CG 4.38Å; V152-L156 WeakPolarHBondContact O-CG 3.43Å; V152-L156 PolarHBondContact O-N 2.72Å; L156-T158 PolarHBondContact O-N 2.87Å; L156-T158 VanDerWaalsContact O-N 3.09Å; L156-L159 PolarHBondContact O-N 3.34Å; L156-T160 HydrophobicContact CD2-CG2 4.06Å; L156-T160 PolarHBondContact O-N 3.38Å; L156-T160 PolarHBondContact O-OG1 3.27Å; L156-V165 HydrophobicContact CD2-CG1 4.36Å; L156-V165 HydrophobicContact CD2-CG2 4.48Å; L156-V184 HydrophobicContact CD1-CG1 4.17Å; L156-I185 HydrophobicContact CD1-CB 4.49Å; L156-I185 HydrophobicContact CD1-CG1 3.75Å; L156-S188 WeakPolarHBondContact CB-OG 3.29Å; L156-I251 HydrophobicContact CD2-CD1 4.2Å
157S97.5Very high97.3Very high19 Ų1930.7 Ų30.713%0.13316%0.156CC..Hα-helixtrans-62.5-21.6177.4610000113.8L153 L154L153-S157 WeakPolarHBondContact O-CB 3.25Å; L153-S157 PolarHBondContact O-N 3.29Å; L153-S157 PolarHBondContact O-OG 3.12Å; L154-S157 WeakPolarHBondContact CA-OG 3.33Å; L154-S157 PolarHBondContact O-OG 2.77Å
158T98.1Very high97.4Very high33 Ų3329 Ų2920%0.20215%0.148CC..Hα-helixtrans-89.1-38.5176.9-55.90000112.4L154 V155 L156 K309 M310 N313L154-T158 VanDerWaalsContact O-CB 3.26Å; L154-T158 WeakPolarHBondContact O-CB 3.38Å; L154-T158 PolarHBondContact O-N 3.26Å; L154-T158 VanDerWaalsContact O-N 3.12Å; L154-T158 PolarHBondContact O-OG1 3.07Å; V155-T158 PolarHBondContact O-N 2.87Å; L156-T158 PolarHBondContact O-N 2.87Å; L156-T158 VanDerWaalsContact O-N 3.09Å; T158-K309 HydrophobicContact CG2-CB 3.67Å; T158-M310 HydrophobicContact CG2-CG 3.91Å; T158-N313 PolarHBondContact OG1-ND2 2.77Å
159L97.6Very high97.4Very high19 Ų1933.9 Ų33.910%0.09917%0.166CC..Hα-helixtrans-103.4-24.9-167.2-59.9-174.6000113.9V155 L156 P249 I251 I283 Y306 K309 M310V155-L159 HydrophobicContact CG1-CD1 3.96Å; V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.67Å; L156-L159 PolarHBondContact O-N 3.34Å; L159-P249 HydrophobicContact CD1-CG 4.48Å; L159-I251 HydrophobicContact CD1-CD1 4.19Å; L159-I251 HydrophobicContact CD1-CG1 4.44Å; L159-I283 HydrophobicContact CD1-CG1 4.4Å; L159-Y306 HydrophobicContact CD1-CD1 4.1Å; L159-Y306 HydrophobicContact CD1-CG 4.3Å; L159-Y306 HydrophobicContact CD2-CD1 3.68Å; L159-Y306 HydrophobicContact CD2-CG 4.41Å; L159-K309 HydrophobicContact CD2-CD 4.14Å; L159-M310 HydrophobicContact CD1-CE 4.3Å
160T96.6Very high97.4Very high0 Ų032.8 Ų32.80%016%0.157CC..  trans-125.817.4-167.271.40000113.5L156 E162 K163 V165 G190 A216 I251L156-T160 HydrophobicContact CD2-CG2 4.06Å; L156-T160 PolarHBondContact O-N 3.38Å; L156-T160 PolarHBondContact O-OG1 3.27Å; T160-E162 PolarHBondContact O-N 2.97Å; T160-K163 PolarHBondContact O-N 2.92Å; T160-K163 VanDerWaalsContact O-N 3.16Å; T160-V165 VanDerWaalsContact CB-CG2 3.5Å; T160-V165 HydrophobicContact CG2-CG2 3.69Å; T160-G190 WeakPolarHBondContact O-CA 3.37Å; T160-A216 HydrophobicContact CG2-CB 3.59Å; T160-I251 HydrophobicContact CG2-CD1 4.47Å
161Q94.8Very high97.3Very high124 Ų12433.1 Ų33.158%0.57916%0.158SC*.THydrogen-bonded Turntrans-60.9126.4174.9-175.3174.212.300110.2K163Q161-K163 PolarHBondContact O-N 2.97Å
162E96.7Very high97.1Very high163 Ų16335.2 Ų35.276%0.76217%0.169SC*.THydrogen-bonded Turntrans60.421.8-177.2-61.6174178.400114.1T160 G189T160-E162 PolarHBondContact O-N 2.97Å; E162-G189 WeakPolarHBondContact CA-O 3.41Å; E162-G189 PolarHBondContact N-O 3Å
163K98.1Very high96.8Very high97 Ų9735.2 Ų35.242%0.42217%0.169SC..SBendtrans-124.8160.6-179.9-62.9-169.3-179.9-169.70112.6T160 Q161 G190 T191 E213 G215T160-K163 PolarHBondContact O-N 2.92Å; T160-K163 VanDerWaalsContact O-N 3.16Å; Q161-K163 PolarHBondContact O-N 2.97Å; K163-G190 WeakPolarHBondContact O-CA 3.38Å; K163-T191 PolarHBondContact O-N 3.33Å; K163-E213 WeakPolarHBondContact CA-O 3.41Å; K163-E213 WeakPolarHBondContact CB-O 3.21Å; K163-G215 VanDerWaalsContact CD-CA 3.45Å
164E98.5Very high96.5Very high45 Ų4536.7 Ų36.721%0.2117%0.174CC..EExtended strand (participates in β ladder)trans-75.3140.7173.3-66177.5160.900111.5T191 V193 T211 E213 G215 A216E164-T191 CarbonylContact C-O 3.58Å; E164-T191 VanDerWaalsContact CA-O 3.31Å; E164-T191 WeakPolarHBondContact CA-O 3.4Å; E164-V193 HydrophobicContact CB-CG2 3.64Å; E164-V193 HydrophobicContact CG-CG2 3.68Å; E164-T211 PolarHBondContact OE2-OG1 2.76Å; E164-E213 HydrophobicContact CG-CB 4.03Å; E164-E213 PolarHBondContact N-O 3.39Å; E164-G215 PolarHBondContact O-N 3.44Å; E164-A216 PolarHBondContact O-N 3.15Å
165V98.6Very high95.8Very high0 Ų038.1 Ų38.10%018%0.181CC..EExtended strand (participates in β ladder)trans-118.7110174.7-175.40000108.2L156 T160 I185 T191 V193 L218L156-V165 HydrophobicContact CD2-CG1 4.36Å; L156-V165 HydrophobicContact CD2-CG2 4.48Å; T160-V165 VanDerWaalsContact CB-CG2 3.5Å; T160-V165 HydrophobicContact CG2-CG2 3.69Å; V165-I185 HydrophobicContact CB-CG2 4.06Å; V165-I185 HydrophobicContact CG1-CD1 4.4Å; V165-I185 HydrophobicContact CG2-CG2 3.96Å; V165-T191 PolarHBondContact N-O 2.9Å; V165-V193 PolarHBondContact O-N 2.92Å; V165-L218 HydrophobicContact CG1-CB 3.61Å; V165-L218 HydrophobicContact CG1-CD2 4.22Å
166L98.5Very high94.5Very high0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-76.1125.5176.1-69.3156.8000109.4V193 V195 Y206 A209 L210 T214 A216 I217 L218L166-V193 WeakPolarHBondContact CA-O 3.35Å; L166-V193 HydrophobicContact CD2-CB 4.05Å; L166-V193 HydrophobicContact CD2-CG1 3.7Å; L166-V195 HydrophobicContact CD2-CG1 3.74Å; L166-Y206 HydrophobicContact CB-CD1 3.97Å; L166-Y206 HydrophobicContact CB-CE1 4.1Å; L166-A209 HydrophobicContact CD2-CB 3.34Å; L166-L210 HydrophobicContact CD1-CD2 3.57Å; L166-L210 HydrophobicContact CD1-CG 4.13Å; L166-T214 HydrophobicContact CD1-CG2 3.36Å; L166-T214 HydrophobicContact CG-CG2 4.01Å; L166-A216 PolarHBondContact N-O 3.2Å; L166-I217 HydrophobicContact CB-CG1 4.3Å; L166-I217 HydrophobicContact CD1-CG1 4.01Å; L166-L218 PolarHBondContact O-N 3.2Å
167V98.1Very high93.4Very high0 Ų044.5 Ų44.50%025%0.248CC..EExtended strand (participates in β ladder)trans-147.4141.2178.959.40000110.4R169 E171 L172 I185 I192 V193 E194 V195 L218V167-R169 PolarHBondContact O-N 3.17Å; V167-E171 HydrophobicContact CG2-CB 4.26Å; V167-L172 HydrophobicContact CG1-CD2 3.66Å; V167-L172 HydrophobicContact CG1-CG 4.36Å; V167-L172 HydrophobicContact CG2-CD2 4.24Å; V167-I185 HydrophobicContact CG1-CD1 4.27Å; V167-I192 HydrophobicContact CG1-CG2 3.87Å; V167-V193 PolarHBondContact N-O 3.44Å; V167-E194 CarbonylContact O-C 3.58Å; V167-E194 WeakPolarHBondContact O-CA 3.5Å; V167-V195 PolarHBondContact O-N 3.45Å; V167-L218 HydrophobicContact CB-CB 4.38Å; V167-L218 HydrophobicContact CG2-CD2 4.43Å; V167-L218 HydrophobicContact CG2-CG 4.5Å
168S97.7Very high92.6Very high7 Ų747.7 Ų47.75%0.04928%0.276CS..EExtended strand (participates in β ladder)trans-59.7133.5174.4166.40000110.7G170 E171 T201 Y206S168-G170 PolarHBondContact O-N 3.31Å; S168-G170 VanDerWaalsContact O-N 3.14Å; S168-G170 PolarHBondContact OG-N 2.68Å; S168-E171 PolarHBondContact O-N 3.48Å; S168-T201 PolarHBondContact OG-OG1 3.31Å; S168-Y206 PolarHBondContact N-OH 2.94Å; S168-Y206 VanDerWaalsContact N-OH 3.11Å
169R96.6Very high92.1Very high113 Ų11348.2 Ų48.243%0.42628%0.275SS..G310 helixtrans-56.6-30.1173.9-177175.3-69.4-76.7-3.1111.8V167 E171 E194 V195V167-R169 PolarHBondContact O-N 3.17Å; R169-E171 PolarHBondContact O-N 2.96Å; R169-E194 HydrophobicContact CB-CB 4.47Å; R169-E194 WeakPolarHBondContact CG-OE2 3.4Å; R169-E194 IonicContact CZ-OE1 2.82Å; R169-E194 VanDerWaalsContact CZ-OE1 3.24Å; R169-E194 IonicContact CZ-OE2 3.24Å; R169-E194 IonicContact NE-OE2 2.93Å; R169-E194 IonicContact NH1-OE1 3.39Å; R169-E194 PolarHBondContact NH1-OE1 3.02Å; R169-E194 IonicContact NH1-OE2 2.95Å; R169-E194 PolarHBondContact NH1-OE2 2.94Å; R169-E194 VanDerWaalsContact NH2-CD 3.26Å; R169-E194 IonicContact NH2-OE1 2.89Å; R169-E194 PolarHBondContact NH2-OE1 3.2Å; R169-E194 IonicContact NH2-OE2 2.89Å; R169-E194 PolarHBondContact NH2-OE2 3.28Å; R169-V195 PolarHBondContact N-O 3.05Å
170G94.2Very high91.9Very high7 Ų752.9 Ų52.97%0.07229%0.291CS..G310 helixtrans-75.3-6.6175.800000115.1S168 T198 Y225S168-G170 PolarHBondContact O-N 3.31Å; S168-G170 VanDerWaalsContact O-N 3.14Å; S168-G170 PolarHBondContact OG-N 2.68Å; G170-T198 VanDerWaalsContact CA-O 3.25Å; G170-T198 WeakPolarHBondContact CA-O 3.48Å; G170-Y225 PolarHBondContact O-OH 3.22Å
171E95.3Very high91.8Very high14 Ų1452.9 Ų52.97%0.06529%0.291CS..G310 helixtrans-114.86.5-175.3-65.4-178.4-179.700112.8V167 S168 R169 V173 K219 V220V167-E171 HydrophobicContact CG2-CB 4.26Å; S168-E171 PolarHBondContact O-N 3.48Å; R169-E171 PolarHBondContact O-N 2.96Å; E171-V173 VanDerWaalsContact C-N 3.25Å; E171-V173 WeakPolarHBondContact O-CG1 3.4Å; E171-V173 PolarHBondContact O-N 2.89Å; E171-K219 IonicContact OE1-NZ 3.8Å; E171-K219 PolarHBondContact OE1-NZ 2.89Å; E171-K219 WeakPolarHBondContact OE2-CA 3.38Å; E171-V220 HydrophobicContact CB-CB 4.17Å; E171-V220 WeakPolarHBondContact CG-O 3.43Å; E171-V220 PolarHBondContact OE2-N 2.82Å
172L93.9Very high91.9Very high44 Ų4448.5 Ų48.523%0.2327%0.274CS..  trans-79.773172.3-68.7177.6000111.2V167 I181 P182 I192 E194V167-L172 HydrophobicContact CG1-CD2 3.66Å; V167-L172 HydrophobicContact CG1-CG 4.36Å; V167-L172 HydrophobicContact CG2-CD2 4.24Å; L172-I181 HydrophobicContact CD2-CG2 4.13Å; L172-P182 HydrophobicContact CD2-CB 4.35Å; L172-I192 HydrophobicContact CD2-CG2 4.37Å; L172-E194 HydrophobicContact CD1-CG 3.83Å; L172-E194 WeakPolarHBondContact CD1-OE2 3.44Å
173V90.8Very high91.8Very high5 Ų545 Ų453%0.0326%0.26CS..  trans-86.5154.3-168.6-50.90000113.6E171 I175 I181 V220 T222 Y225E171-V173 VanDerWaalsContact C-N 3.25Å; E171-V173 WeakPolarHBondContact O-CG1 3.4Å; E171-V173 PolarHBondContact O-N 2.89Å; V173-I175 HydrophobicContact CB-CG1 4.47Å; V173-I175 HydrophobicContact CG2-CD1 3.77Å; V173-I175 HydrophobicContact CG2-CG1 3.7Å; V173-I181 HydrophobicContact CG2-CD1 4.47Å; V173-I181 HydrophobicContact CG2-CG1 3.61Å; V173-I181 PolarHBondContact O-N 3.07Å; V173-I181 VanDerWaalsContact O-N 3.13Å; V173-V220 HydrophobicContact CG2-CG1 3.88Å; V173-T222 HydrophobicContact CG1-CG2 4.48Å; V173-Y225 HydrophobicContact CB-CE1 4.07Å; V173-Y225 HydrophobicContact CG1-CE1 3.43Å; V173-Y225 VanDerWaalsContact CG1-CE1 3.43Å; V173-Y225 VanDerWaalsContact CG1-OH 3.25Å; V173-Y225 WeakPolarHBondContact CG1-OH 3.39Å
174E90.1Very high91.7Very high78 Ų7841 Ų4136%0.36424%0.244SC..EExtended strand (participates in β ladder)trans-106.8126.7160.6-175.2178.2139.700109.3G177 F179 R180 N224E174-G177 VanDerWaalsContact OE1-C 3.29Å; E174-G177 WeakPolarHBondContact OE1-CA 3.23Å; E174-F179 CarbonylContact C-O 3.5Å; E174-F179 WeakPolarHBondContact CA-O 3.33Å; E174-R180 HydrophobicContact CB-CG 4.04Å; E174-R180 HydrophobicContact CG-CG 3.8Å; E174-R180 IonicContact OE2-CZ 3.19Å; E174-R180 IonicContact OE2-NE 3.45Å; E174-R180 PolarHBondContact OE2-NE 2.86Å; E174-R180 IonicContact OE2-NH2 2.72Å; E174-R180 PolarHBondContact OE2-NH2 3.06Å; E174-N224 PolarHBondContact O-ND2 3.39Å
175I82.4Confident91.6Very high30 Ų3038.8 Ų38.815%0.15423%0.234CC..EExtended strand (participates in β ladder)trans-120.4130.3-179.4-51.9174.2000108.9V173 G177 F179V173-I175 HydrophobicContact CB-CG1 4.47Å; V173-I175 HydrophobicContact CG2-CD1 3.77Å; V173-I175 HydrophobicContact CG2-CG1 3.7Å; I175-G177 PolarHBondContact O-N 2.68Å; I175-F179 HydrophobicContact CB-CD1 4.31Å; I175-F179 HydrophobicContact CD1-CD1 4.39Å; I175-F179 PolarHBondContact N-O 3.34Å; I175-F179 WeakPolarHBondContact O-CB 3.42Å; I175-F179 PolarHBondContact O-N 2.74Å
176G72.6Confident91.5Very high79 Ų7942.9 Ų42.981%0.81426%0.259SS*.THydrogen-bonded Turntrans66.220.2172.100000115.5A178G176-A178 PolarHBondContact O-N 2.93Å
177G74.4Confident91.3Very high58 Ų5847 Ų4760%0.59829%0.288SS*.THydrogen-bonded Turntrans84.4-8.4171.900000116.7E174 I175E174-G177 VanDerWaalsContact OE1-C 3.29Å; E174-G177 WeakPolarHBondContact OE1-CA 3.23Å; I175-G177 PolarHBondContact O-N 2.68Å
178A80.4Confident91.1Very high86 Ų8647.4 Ų47.471%0.71129%0.291SS*.THydrogen-bonded Turntrans-146.7-13.8-179.400000114.9G176G176-A178 PolarHBondContact O-N 2.93Å
179F88.5Confident91Very high43 Ų4348.8 Ų48.819%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-93.4108.3178.4-177.8-98.4000110A149 V152 E174 I175 I181 V184A149-F179 VanDerWaalsContact CA-CE2 3.44Å; A149-F179 HydrophobicContact CB-CD2 3.42Å; A149-F179 VanDerWaalsContact CB-CD2 3.42Å; A149-F179 HydrophobicContact CB-CE2 3.27Å; A149-F179 HydrophobicContact CB-CG 4.17Å; A149-F179 HydrophobicContact CB-CZ 3.93Å; V152-F179 HydrophobicContact CB-CZ 4.21Å; V152-F179 HydrophobicContact CG1-CZ 4.43Å; E174-F179 CarbonylContact C-O 3.5Å; E174-F179 WeakPolarHBondContact CA-O 3.33Å; I175-F179 HydrophobicContact CB-CD1 4.31Å; I175-F179 HydrophobicContact CD1-CD1 4.39Å; I175-F179 PolarHBondContact N-O 3.34Å; I175-F179 WeakPolarHBondContact O-CB 3.42Å; I175-F179 PolarHBondContact O-N 2.74Å; F179-I181 HydrophobicContact CE1-CD1 3.77Å; F179-I181 HydrophobicContact CZ-CD1 4.34Å; F179-V184 HydrophobicContact CD2-CG2 3.81Å; F179-V184 HydrophobicContact CE1-CG2 4.46Å; F179-V184 HydrophobicContact CE2-CB 4.41Å; F179-V184 HydrophobicContact CE2-CG1 4.4Å; F179-V184 HydrophobicContact CE2-CG2 3.25Å; F179-V184 HydrophobicContact CZ-CB 4.48Å; F179-V184 HydrophobicContact CZ-CG1 4.43Å; F179-V184 HydrophobicContact CZ-CG2 3.64Å
180R93.6Very high91Very high117 Ų11743.7 Ų43.744%0.44229%0.288SS..EExtended strand (participates in β ladder)trans-114.5121.6-179.8-68175.4172.9173.51.4109.9E174 P182 D183 V184E174-R180 HydrophobicContact CB-CG 4.04Å; E174-R180 HydrophobicContact CG-CG 3.8Å; E174-R180 IonicContact OE2-CZ 3.19Å; E174-R180 IonicContact OE2-NE 3.45Å; E174-R180 PolarHBondContact OE2-NE 2.86Å; E174-R180 IonicContact OE2-NH2 2.72Å; E174-R180 PolarHBondContact OE2-NH2 3.06Å; R180-P182 VanDerWaalsContact C-CD 3.45Å; R180-P182 VanDerWaalsContact C-N 3.33Å; R180-P182 HydrophobicContact CB-CG 4.19Å; R180-D183 HydrophobicContact CB-CB 4.14Å; R180-D183 VanDerWaalsContact CD-OD2 3.26Å; R180-D183 WeakPolarHBondContact CD-OD2 3.4Å; R180-D183 PolarHBondContact O-N 3.48Å; R180-D183 VanDerWaalsContact O-N 3.13Å; R180-V184 VanDerWaalsContact O-CG2 3.24Å; R180-V184 WeakPolarHBondContact O-CG2 3.16Å; R180-V184 PolarHBondContact O-N 3.29Å
181I94.8Very high91.2Very high0 Ų047.3 Ų47.30%031%0.309CS..Hα-helixtrans-48.8-46.7174.3-62.8-61.1000113.3L172 V173 F179 D183 V184 I185 L218 V220L172-I181 HydrophobicContact CD2-CG2 4.13Å; V173-I181 HydrophobicContact CG2-CD1 4.47Å; V173-I181 HydrophobicContact CG2-CG1 3.61Å; V173-I181 PolarHBondContact O-N 3.07Å; V173-I181 VanDerWaalsContact O-N 3.13Å; F179-I181 HydrophobicContact CE1-CD1 3.77Å; F179-I181 HydrophobicContact CZ-CD1 4.34Å; I181-D183 PolarHBondContact O-N 3.02Å; I181-V184 PolarHBondContact O-N 3.25Å; I181-I185 HydrophobicContact CG2-CD1 3.76Å; I181-I185 HydrophobicContact CG2-CG1 4.3Å; I181-I185 WeakPolarHBondContact O-CG1 3.24Å; I181-I185 PolarHBondContact O-N 3.36Å; I181-L218 HydrophobicContact CG2-CD2 4.04Å; I181-V220 HydrophobicContact CD1-CG1 4.09Å; I181-V220 HydrophobicContact CD1-CG2 4.1Å; I181-V220 HydrophobicContact CG1-CG1 4.1Å; I181-V220 HydrophobicContact CG1-CG2 4.14Å; I181-V220 HydrophobicContact CG2-CG2 4.13Å
182P95.8Very high91.4Very high32 Ų3248.9 Ų48.921%0.20832%0.317CS..Hα-helixtrans-60.6-41.5179.121.6-33.9000113.4L172 R180 V184 I185 T186 I192L172-P182 HydrophobicContact CD2-CB 4.35Å; R180-P182 VanDerWaalsContact C-CD 3.45Å; R180-P182 VanDerWaalsContact C-N 3.33Å; R180-P182 HydrophobicContact CB-CG 4.19Å; P182-V184 VanDerWaalsContact C-N 3.29Å; P182-V184 PolarHBondContact O-N 2.69Å; P182-I185 PolarHBondContact O-N 3.01Å; P182-T186 PolarHBondContact O-N 3.49Å; P182-T186 PolarHBondContact O-OG1 3.45Å; P182-I192 HydrophobicContact CB-CD1 3.51Å; P182-I192 WeakPolarHBondContact O-CD1 3.28Å
183D95.7Very high91.6Very high89 Ų8948.2 Ų48.248%0.47632%0.315SS..Hα-helixtrans-67.5-34178.9-63.8-19.4000111.1R180 I181 S187R180-D183 HydrophobicContact CB-CB 4.14Å; R180-D183 VanDerWaalsContact CD-OD2 3.26Å; R180-D183 WeakPolarHBondContact CD-OD2 3.4Å; R180-D183 PolarHBondContact O-N 3.48Å; R180-D183 VanDerWaalsContact O-N 3.13Å; I181-D183 PolarHBondContact O-N 3.02Å; D183-S187 WeakPolarHBondContact O-CB 3.35Å; D183-S187 PolarHBondContact O-N 3.04Å; D183-S187 PolarHBondContact O-OG 3.15Å
184V95.2Very high91.9Very high13 Ų1351.5 Ų51.58%0.07933%0.33CS..Hα-helixtrans-70.2-43177.2179.90000111.2V152 L153 L156 F179 R180 I181 P182 S187 S188V152-V184 HydrophobicContact CG1-CG1 3.99Å; L153-V184 HydrophobicContact CB-CG1 4.21Å; L153-V184 HydrophobicContact CD1-CG1 4.34Å; L156-V184 HydrophobicContact CD1-CG1 4.17Å; F179-V184 HydrophobicContact CD2-CG2 3.81Å; F179-V184 HydrophobicContact CE1-CG2 4.46Å; F179-V184 HydrophobicContact CE2-CB 4.41Å; F179-V184 HydrophobicContact CE2-CG1 4.4Å; F179-V184 HydrophobicContact CE2-CG2 3.25Å; F179-V184 HydrophobicContact CZ-CB 4.48Å; F179-V184 HydrophobicContact CZ-CG1 4.43Å; F179-V184 HydrophobicContact CZ-CG2 3.64Å; R180-V184 VanDerWaalsContact O-CG2 3.24Å; R180-V184 WeakPolarHBondContact O-CG2 3.16Å; R180-V184 PolarHBondContact O-N 3.29Å; I181-V184 PolarHBondContact O-N 3.25Å; P182-V184 VanDerWaalsContact C-N 3.29Å; P182-V184 PolarHBondContact O-N 2.69Å; V184-S187 WeakPolarHBondContact CA-OG 3.24Å; V184-S187 PolarHBondContact O-OG 2.79Å; V184-S188 VanDerWaalsContact O-CB 3.26Å; V184-S188 WeakPolarHBondContact O-CB 3.3Å; V184-S188 PolarHBondContact O-N 3.25Å; V184-S188 PolarHBondContact O-OG 3.1Å
185I96.4Very high92.3Very high0 Ų048.1 Ų48.10%031%0.314CS..Hα-helixtrans-59.1-50.4174.6-65.2163.9000109.9L156 V165 V167 I181 P182 S188 G189 G190 I192 L218L156-I185 HydrophobicContact CD1-CB 4.49Å; L156-I185 HydrophobicContact CD1-CG1 3.75Å; V165-I185 HydrophobicContact CB-CG2 4.06Å; V165-I185 HydrophobicContact CG1-CD1 4.4Å; V165-I185 HydrophobicContact CG2-CG2 3.96Å; V167-I185 HydrophobicContact CG1-CD1 4.27Å; I181-I185 HydrophobicContact CG2-CD1 3.76Å; I181-I185 HydrophobicContact CG2-CG1 4.3Å; I181-I185 WeakPolarHBondContact O-CG1 3.24Å; I181-I185 PolarHBondContact O-N 3.36Å; P182-I185 PolarHBondContact O-N 3.01Å; I185-S188 WeakPolarHBondContact O-CB 3.37Å; I185-S188 PolarHBondContact O-N 3.36Å; I185-G189 PolarHBondContact O-N 3.33Å; I185-G190 PolarHBondContact O-N 2.95Å; I185-I192 HydrophobicContact CB-CD1 4.47Å; I185-I192 HydrophobicContact CB-CG1 3.82Å; I185-I192 HydrophobicContact CD1-CG1 4.01Å; I185-I192 HydrophobicContact CG2-CG1 3.56Å; I185-L218 HydrophobicContact CD1-CD2 3.91Å; I185-L218 HydrophobicContact CG1-CD2 4.21Å
186T96.1Very high93Very high85 Ų8547.8 Ų47.852%0.52132%0.318SS..Hα-helixtrans-64.3-45.1-177.5-52.40000111.7P182 S188 G189P182-T186 PolarHBondContact O-N 3.49Å; P182-T186 PolarHBondContact O-OG1 3.45Å; T186-S188 PolarHBondContact O-N 3.32Å; T186-G189 PolarHBondContact O-N 3.42Å
187S94.3Very high94.2Very high88 Ų8847.2 Ų47.262%0.61530%0.299SS*.Hα-helixtrans-69.1-21.3178.258.20000113.7D183 V184 G189D183-S187 WeakPolarHBondContact O-CB 3.35Å; D183-S187 PolarHBondContact O-N 3.04Å; D183-S187 PolarHBondContact O-OG 3.15Å; V184-S187 WeakPolarHBondContact CA-OG 3.24Å; V184-S187 PolarHBondContact O-OG 2.79Å; S187-G189 PolarHBondContact O-N 3.25Å
188S95Very high95.2Very high8 Ų848.6 Ų48.66%0.05630%0.296CS..THydrogen-bonded Turntrans-76.5-4.8170.5-60.50000113.3L153 L156 V184 I185 T186L153-S188 WeakPolarHBondContact CD1-OG 3.24Å; L156-S188 WeakPolarHBondContact CB-OG 3.29Å; V184-S188 VanDerWaalsContact O-CB 3.26Å; V184-S188 WeakPolarHBondContact O-CB 3.3Å; V184-S188 PolarHBondContact O-N 3.25Å; V184-S188 PolarHBondContact O-OG 3.1Å; I185-S188 WeakPolarHBondContact O-CB 3.37Å; I185-S188 PolarHBondContact O-N 3.36Å; T186-S188 PolarHBondContact O-N 3.32Å
189G95.3Very high95.9Very high36 Ų3647.7 Ų47.737%0.37128%0.28SS..THydrogen-bonded Turntrans83.211.6-175.800000114.2E162 I185 T186 S187E162-G189 WeakPolarHBondContact CA-O 3.41Å; E162-G189 PolarHBondContact N-O 3Å; I185-G189 PolarHBondContact O-N 3.33Å; T186-G189 PolarHBondContact O-N 3.42Å; S187-G189 PolarHBondContact O-N 3.25Å
190G97.2Very high96.2Very high5 Ų549.1 Ų49.15%0.05229%0.286CS..PPolyproline II helixtrans-89.5155.9174.600000112.4T160 K163 I185T160-G190 WeakPolarHBondContact O-CA 3.37Å; K163-G190 WeakPolarHBondContact O-CA 3.38Å; I185-G190 PolarHBondContact O-N 2.95Å
191T98.1Very high96.4Very high83 Ų8343.7 Ų43.751%0.50927%0.266SS..EExtended strand (participates in β ladder)trans-101.9125.1172.7-600000109.5K163 E164 V165 V193K163-T191 PolarHBondContact O-N 3.33Å; E164-T191 CarbonylContact C-O 3.58Å; E164-T191 VanDerWaalsContact CA-O 3.31Å; E164-T191 WeakPolarHBondContact CA-O 3.4Å; V165-T191 PolarHBondContact N-O 2.9Å; T191-V193 PolarHBondContact O-N 3.27Å
192I98.1Very high96.6Very high47 Ų4747 Ų4724%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-74.7127.2-179.9-53.3164.3000109.4V167 L172 P182 I185 E194V167-I192 HydrophobicContact CG1-CG2 3.87Å; L172-I192 HydrophobicContact CD2-CG2 4.37Å; P182-I192 HydrophobicContact CB-CD1 3.51Å; P182-I192 WeakPolarHBondContact O-CD1 3.28Å; I185-I192 HydrophobicContact CB-CD1 4.47Å; I185-I192 HydrophobicContact CB-CG1 3.82Å; I185-I192 HydrophobicContact CD1-CG1 4.01Å; I185-I192 HydrophobicContact CG2-CG1 3.56Å; I192-E194 HydrophobicContact CG2-CG 3.87Å
193V98.3Very high96.7Very high30 Ų3047.7 Ų47.718%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-116.9100.1167.6-178.70000108.2E164 V165 L166 V167 T191 A209E164-V193 HydrophobicContact CB-CG2 3.64Å; E164-V193 HydrophobicContact CG-CG2 3.68Å; V165-V193 PolarHBondContact O-N 2.92Å; L166-V193 WeakPolarHBondContact CA-O 3.35Å; L166-V193 HydrophobicContact CD2-CB 4.05Å; L166-V193 HydrophobicContact CD2-CG1 3.7Å; V167-V193 PolarHBondContact N-O 3.44Å; T191-V193 PolarHBondContact O-N 3.27Å; V193-A209 HydrophobicContact CG1-CB 4.08Å
194E98Very high96.8Very high75 Ų7545.2 Ų45.235%0.3527%0.274SS..EExtended strand (participates in β ladder)trans-75.4132.7179.9-50.5-173.9-100.400110.9V167 R169 L172 I192V167-E194 CarbonylContact O-C 3.58Å; V167-E194 WeakPolarHBondContact O-CA 3.5Å; R169-E194 HydrophobicContact CB-CB 4.47Å; R169-E194 WeakPolarHBondContact CG-OE2 3.4Å; R169-E194 IonicContact CZ-OE1 2.82Å; R169-E194 VanDerWaalsContact CZ-OE1 3.24Å; R169-E194 IonicContact CZ-OE2 3.24Å; R169-E194 IonicContact NE-OE2 2.93Å; R169-E194 IonicContact NH1-OE1 3.39Å; R169-E194 PolarHBondContact NH1-OE1 3.02Å; R169-E194 IonicContact NH1-OE2 2.95Å; R169-E194 PolarHBondContact NH1-OE2 2.94Å; R169-E194 VanDerWaalsContact NH2-CD 3.26Å; R169-E194 IonicContact NH2-OE1 2.89Å; R169-E194 PolarHBondContact NH2-OE1 3.2Å; R169-E194 IonicContact NH2-OE2 2.89Å; R169-E194 PolarHBondContact NH2-OE2 3.28Å; L172-E194 HydrophobicContact CD1-CG 3.83Å; L172-E194 WeakPolarHBondContact CD1-OE2 3.44Å; I192-E194 HydrophobicContact CG2-CG 3.87Å
195V98.3Very high96.9Very high6 Ų646.5 Ų46.54%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-118.2157.4175.5-56.30000111.9L166 V167 R169 T201 D205 Y206 A209L166-V195 HydrophobicContact CD2-CG1 3.74Å; V167-V195 PolarHBondContact O-N 3.45Å; R169-V195 PolarHBondContact N-O 3.05Å; V195-T201 HydrophobicContact CG2-CG2 4Å; V195-D205 HydrophobicContact CB-CB 4.04Å; V195-Y206 HydrophobicContact CG1-CD1 4.48Å; V195-Y206 HydrophobicContact CG2-CD1 3.79Å; V195-Y206 HydrophobicContact CG2-CD2 3.82Å; V195-Y206 HydrophobicContact CG2-CE1 3.54Å; V195-Y206 HydrophobicContact CG2-CE2 3.6Å; V195-Y206 HydrophobicContact CG2-CG 3.92Å; V195-Y206 VanDerWaalsContact CG2-CZ 3.45Å; V195-A209 HydrophobicContact CG1-CB 3.54Å
196G97.5Very high97Very high23 Ų2346.5 Ų46.524%0.23728%0.281CS..SBendtrans62.6-150.8178.100000113.7D205G196-D205 WeakPolarHBondContact CA-OD2 3.48Å
197T96.8Very high97.1Very high67 Ų6747.2 Ų47.241%0.41128%0.278SS..  trans-128.3172.3-179.667.70000110.5N199 K200 T201T197-N199 VanDerWaalsContact C-N 3.32Å; T197-N199 PolarHBondContact O-N 3.35Å; T197-K200 WeakPolarHBondContact CA-O 3.47Å; T197-K200 PolarHBondContact N-O 3.44Å; T197-K200 PolarHBondContact OG1-N 2.85Å; T197-K200 VanDerWaalsContact OG1-N 3.16Å; T197-K200 PolarHBondContact OG1-O 3.47Å; T197-T201 PolarHBondContact O-OG1 3.09Å
198T95.1Very high97.3Very high87 Ų8751 Ų5153%0.53428%0.284SS..SBendtrans-54.3-46.7-178.6-52.80000112.7G170 I227G170-T198 VanDerWaalsContact CA-O 3.25Å; G170-T198 WeakPolarHBondContact CA-O 3.48Å; T198-I227 HydrophobicContact CG2-CD1 4.3Å; T198-I227 WeakPolarHBondContact O-CD1 3.27Å
199N95.1Very high97.4Very high68 Ų6851.7 Ų51.736%0.36429%0.29SS..SBendtrans-96.8-29.9-175.659.6-58.5000113.3T197 I227 F230 T231 E232T197-N199 VanDerWaalsContact C-N 3.32Å; T197-N199 PolarHBondContact O-N 3.35Å; N199-I227 HydrophobicContact CB-CG2 4.1Å; N199-F230 PolarHBondContact ND2-O 2.9Å; N199-T231 HydrophobicContact CB-CG2 4.27Å; N199-T231 CarbonylContact O-C 3.46Å; N199-T231 WeakPolarHBondContact O-CA 3.23Å; N199-T231 WeakPolarHBondContact O-CB 3.36Å; N199-E232 PolarHBondContact O-N 2.75Å
200K96.4Very high97.5Very high73 Ų7351.5 Ų51.532%0.31728%0.28SS..BIsolated β-bridgetrans-127.6123.3-177.7-68.9-176.5177.9-169.20111.3T197 E232T197-K200 WeakPolarHBondContact CA-O 3.47Å; T197-K200 PolarHBondContact N-O 3.44Å; T197-K200 PolarHBondContact OG1-N 2.85Å; T197-K200 VanDerWaalsContact OG1-N 3.16Å; T197-K200 PolarHBondContact OG1-O 3.47Å; K200-E232 HydrophobicContact CB-CB 4.15Å; K200-E232 HydrophobicContact CG-CB 3.93Å
201T97.7Very high97.6Very high3 Ų354.6 Ų54.62%0.01830%0.298CS..  trans-128.7132.2167-64.30000108.1S168 V195 T197 D205 Y206 E232 P234S168-T201 PolarHBondContact OG-OG1 3.31Å; V195-T201 HydrophobicContact CG2-CG2 4Å; T197-T201 PolarHBondContact O-OG1 3.09Å; T201-D205 HydrophobicContact CG2-CB 4.47Å; T201-Y206 HydrophobicContact CG2-CD2 4.13Å; T201-Y206 HydrophobicContact CG2-CE2 3.57Å; T201-E232 PolarHBondContact N-O 3.07Å; T201-P234 HydrophobicContact CG2-CG 4.31Å; T201-P234 VanDerWaalsContact O-CD 3.27Å; T201-P234 WeakPolarHBondContact O-CD 3.5Å
202H97.7Very high97.5Very high70 Ų7059.8 Ų59.832%0.32432%0.317SS..  trans-110.7161.1179-53.2-82.1000110.3A204 D205 E232H202-A204 PolarHBondContact O-N 3.04Å; H202-D205 IonicContact CD2-OD2 2.68Å; H202-D205 IonicContact CG-OD2 3.22Å; H202-D205 PolarHBondContact N-OD2 3.44Å; H202-D205 WeakPolarHBondContact O-CB 3.49Å; H202-D205 PolarHBondContact O-N 3.36Å; H202-E232 IonicContact CE1-OE1 3.06Å; H202-E232 PolarHBondContact CE1-OE1 3.31Å; H202-E232 IonicContact CE1-OE2 3.44Å; H202-E232 PolarHBondContact CE1-OE2 3.44Å; H202-E232 IonicContact CG-OE1 3.98Å; H202-E232 IonicContact ND1-OE1 2.76Å; H202-E232 PolarHBondContact ND1-OE1 3.29Å; H202-E232 IonicContact ND1-OE2 3.6Å; H202-E232 PolarHBondContact ND1-OE2 3.41Å
203L97.9Very high97.5Very high45 Ų4563.1 Ų63.124%0.23633%0.331CS..Hα-helixtrans-57.1-39.8176-17269.3000111.7D205 Y206 E207 P234 D238 L239 L242L203-D205 PolarHBondContact O-N 3.01Å; L203-D205 VanDerWaalsContact O-N 3.14Å; L203-Y206 WeakPolarHBondContact O-CB 3.34Å; L203-Y206 PolarHBondContact O-N 2.92Å; L203-E207 PolarHBondContact O-N 2.94Å; L203-P234 HydrophobicContact CB-CB 4.49Å; L203-P234 HydrophobicContact CD1-CB 4.46Å; L203-D238 HydrophobicContact CD1-CB 4.08Å; L203-D238 HydrophobicContact CD2-CB 3.89Å; L203-L239 HydrophobicContact CD1-CD1 4.26Å; L203-L242 HydrophobicContact CD1-CB 4.28Å; L203-L242 HydrophobicContact CD1-CD2 3.89Å; L203-L242 HydrophobicContact CG-CD2 4.41Å
204A98Very high97.5Very high37 Ų3762 Ų6231%0.30633%0.325SS..Hα-helixtrans-61.1-22.4178.200000114H202 K208H202-A204 PolarHBondContact O-N 3.04Å; A204-K208 WeakPolarHBondContact O-CD 3.43Å; A204-K208 WeakPolarHBondContact O-CG 3.35Å; A204-K208 PolarHBondContact O-N 3.4Å
205D98.4Very high97.5Very high41 Ų4158.7 Ų58.722%0.21931%0.31CS..Hα-helixtrans-72.4-38.5175.5-60.1-45.3000110.9V195 G196 T201 H202 L203 A209V195-D205 HydrophobicContact CB-CB 4.04Å; G196-D205 WeakPolarHBondContact CA-OD2 3.48Å; T201-D205 HydrophobicContact CG2-CB 4.47Å; H202-D205 IonicContact CD2-OD2 2.68Å; H202-D205 IonicContact CG-OD2 3.22Å; H202-D205 PolarHBondContact N-OD2 3.44Å; H202-D205 WeakPolarHBondContact O-CB 3.49Å; H202-D205 PolarHBondContact O-N 3.36Å; L203-D205 PolarHBondContact O-N 3.01Å; L203-D205 VanDerWaalsContact O-N 3.14Å; D205-A209 WeakPolarHBondContact O-CB 3.2Å; D205-A209 PolarHBondContact O-N 3.05Å
206Y98.4Very high97.5Very high0 Ų058.4 Ų58.40%031%0.308CS..Hα-helixtrans-66.7-47171.3-74.9-86000111.1L166 S168 V195 T201 L203 K208 A209 L210 I217 P234 L239L166-Y206 HydrophobicContact CB-CD1 3.97Å; L166-Y206 HydrophobicContact CB-CE1 4.1Å; S168-Y206 PolarHBondContact N-OH 2.94Å; S168-Y206 VanDerWaalsContact N-OH 3.11Å; V195-Y206 HydrophobicContact CG1-CD1 4.48Å; V195-Y206 HydrophobicContact CG2-CD1 3.79Å; V195-Y206 HydrophobicContact CG2-CD2 3.82Å; V195-Y206 HydrophobicContact CG2-CE1 3.54Å; V195-Y206 HydrophobicContact CG2-CE2 3.6Å; V195-Y206 HydrophobicContact CG2-CG 3.92Å; V195-Y206 VanDerWaalsContact CG2-CZ 3.45Å; T201-Y206 HydrophobicContact CG2-CD2 4.13Å; T201-Y206 HydrophobicContact CG2-CE2 3.57Å; L203-Y206 WeakPolarHBondContact O-CB 3.34Å; L203-Y206 PolarHBondContact O-N 2.92Å; Y206-K208 VanDerWaalsContact C-N 3.29Å; Y206-K208 PolarHBondContact O-N 2.97Å; Y206-A209 PolarHBondContact O-N 3.3Å; Y206-A209 VanDerWaalsContact O-N 3.1Å; Y206-L210 WeakPolarHBondContact O-CG 3.29Å; Y206-L210 PolarHBondContact O-N 2.85Å; Y206-I217 HydrophobicContact CD1-CD1 4.27Å; Y206-I217 HydrophobicContact CD1-CG2 3.94Å; Y206-I217 HydrophobicContact CE1-CG2 3.65Å; Y206-P234 HydrophobicContact CD2-CG 4.15Å; Y206-P234 HydrophobicContact CE2-CG 3.95Å; Y206-L239 HydrophobicContact CD1-CD1 3.98Å; Y206-L239 HydrophobicContact CD2-CD1 3.73Å; Y206-L239 HydrophobicContact CE1-CD1 4.24Å; Y206-L239 HydrophobicContact CE2-CD1 3.98Å; Y206-L239 HydrophobicContact CG-CD1 3.72Å
207E97.8Very high97.5Very high100 Ų10057.3 Ų57.347%0.46730%0.297SS..Hα-helixtrans-54.6-43.7-179-71.8177.7169.100113.1L203 A209 L242L203-E207 PolarHBondContact O-N 2.94Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 2.87Å; E207-L242 HydrophobicContact CG-CD1 3.65Å; E207-L242 HydrophobicContact CG-CD2 3.76Å; E207-L242 HydrophobicContact CG-CG 4.36Å
208K97.9Very high97.6Very high167 Ų16754.1 Ų54.173%0.72628%0.278SS*.Hα-helixtrans-70.9-26.5-178.9-72.7169.4-170.5167.70113.7A204 Y206A204-K208 WeakPolarHBondContact O-CD 3.43Å; A204-K208 WeakPolarHBondContact O-CG 3.35Å; A204-K208 PolarHBondContact O-N 3.4Å; Y206-K208 VanDerWaalsContact C-N 3.29Å; Y206-K208 PolarHBondContact O-N 2.97Å
209A98.1Very high97.7Very high22 Ų2251.4 Ų51.418%0.18226%0.258CS..Hα-helixtrans-91.9-7.8-175.400000112.9L166 V193 V195 D205 Y206 E207 T211L166-A209 HydrophobicContact CD2-CB 3.34Å; V193-A209 HydrophobicContact CG1-CB 4.08Å; V195-A209 HydrophobicContact CG1-CB 3.54Å; D205-A209 WeakPolarHBondContact O-CB 3.2Å; D205-A209 PolarHBondContact O-N 3.05Å; Y206-A209 PolarHBondContact O-N 3.3Å; Y206-A209 VanDerWaalsContact O-N 3.1Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 2.87Å; A209-T211 PolarHBondContact O-N 3.48Å
210L97.7Very high97.7Very high33 Ų3348.2 Ų48.217%0.17324%0.241CC..  trans-63.5128.8174.9-73.8162.8000111.4L166 Y206 T214 L242 K246 L248L166-L210 HydrophobicContact CD1-CD2 3.57Å; L166-L210 HydrophobicContact CD1-CG 4.13Å; Y206-L210 WeakPolarHBondContact O-CG 3.29Å; Y206-L210 PolarHBondContact O-N 2.85Å; L210-T214 HydrophobicContact CD2-CG2 4.14Å; L210-L242 HydrophobicContact CD1-CD1 3.7Å; L210-L242 HydrophobicContact CD1-CD2 4.3Å; L210-L242 HydrophobicContact CD1-CG 4.04Å; L210-K246 HydrophobicContact CD1-CG 3.99Å; L210-K246 HydrophobicContact CD2-CG 4.29Å; L210-L248 HydrophobicContact CD2-CD1 3.52Å
211T97.5Very high97.4Very high70 Ų7046.2 Ų46.243%0.42923%0.233SC..  trans-130.1177.9175.177.20000110.6E164 A209 E213 T214E164-T211 PolarHBondContact OE2-OG1 2.76Å; A209-T211 PolarHBondContact O-N 3.48Å; T211-E213 PolarHBondContact O-N 3.22Å; T211-E213 PolarHBondContact OG1-N 3.22Å; T211-T214 PolarHBondContact N-OG1 2.63Å; T211-T214 PolarHBondContact O-N 2.63Å; T211-T214 PolarHBondContact O-OG1 3.22Å; T211-T214 PolarHBondContact OG1-N 3.19Å; T211-T214 PolarHBondContact OG1-OG1 3.24Å
212E96.7Very high96.7Very high192 Ų19247.4 Ų47.490%0.89724%0.24SC*.THydrogen-bonded Turntrans-68.8-21.9170.7-61.7-176176.100112.6T214E212-T214 VanDerWaalsContact C-N 3.35Å
213E97.6Very high95.8Very high116 Ų11644.1 Ų44.154%0.54223%0.225SC..THydrogen-bonded Turntrans-85.8-7.8179.6-57.9-56.5141.800112.8K163 E164 T211 G215K163-E213 WeakPolarHBondContact CA-O 3.41Å; K163-E213 WeakPolarHBondContact CB-O 3.21Å; E164-E213 HydrophobicContact CG-CB 4.03Å; E164-E213 PolarHBondContact N-O 3.39Å; T211-E213 PolarHBondContact O-N 3.22Å; T211-E213 PolarHBondContact OG1-N 3.22Å; E213-G215 PolarHBondContact O-N 2.76Å
214T98.3Very high94.9Very high8 Ų844.3 Ų44.35%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-62.5125.4177.6-56.30000111.4L166 L210 T211 E212 L248L166-T214 HydrophobicContact CD1-CG2 3.36Å; L166-T214 HydrophobicContact CG-CG2 4.01Å; L210-T214 HydrophobicContact CD2-CG2 4.14Å; T211-T214 PolarHBondContact N-OG1 2.63Å; T211-T214 PolarHBondContact O-N 2.63Å; T211-T214 PolarHBondContact O-OG1 3.22Å; T211-T214 PolarHBondContact OG1-N 3.19Å; T211-T214 PolarHBondContact OG1-OG1 3.24Å; E212-T214 VanDerWaalsContact C-N 3.35Å; T214-L248 HydrophobicContact CG2-CD1 3.45Å; T214-L248 VanDerWaalsContact CG2-CD1 3.45Å; T214-L248 HydrophobicContact CG2-CD2 4.23Å; T214-L248 HydrophobicContact CG2-CG 4.48Å; T214-L248 WeakPolarHBondContact O-CD2 3.13Å
215G97.8Very high94.1Very high4 Ų445.9 Ų45.94%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-105.2-29.3179.300000114.8K163 E164 E213 P249K163-G215 VanDerWaalsContact CD-CA 3.45Å; E164-G215 PolarHBondContact O-N 3.44Å; E213-G215 PolarHBondContact O-N 2.76Å; G215-P249 VanDerWaalsContact O-CD 3.27Å; G215-P249 WeakPolarHBondContact O-CD 3.02Å
216A98.3Very high93.4Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-161.6158.917800000112.2T160 E164 L166 P249 I251T160-A216 HydrophobicContact CG2-CB 3.59Å; E164-A216 PolarHBondContact O-N 3.15Å; L166-A216 PolarHBondContact N-O 3.2Å; A216-P249 HydrophobicContact CB-CG 3.92Å; A216-I251 HydrophobicContact CB-CD1 3.65Å; A216-I251 HydrophobicContact CB-CG1 4.46Å
217I98.5Very high92.7Very high0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans-99.4124.9158.9-61.1-173.1000107.6L166 Y206 L239 L242 A243 P249 L250 I251L166-I217 HydrophobicContact CB-CG1 4.3Å; L166-I217 HydrophobicContact CD1-CG1 4.01Å; Y206-I217 HydrophobicContact CD1-CD1 4.27Å; Y206-I217 HydrophobicContact CD1-CG2 3.94Å; Y206-I217 HydrophobicContact CE1-CG2 3.65Å; I217-L239 HydrophobicContact CD1-CD1 4.05Å; I217-L239 HydrophobicContact CG2-CD1 3.91Å; I217-L239 HydrophobicContact CG2-CD2 3.86Å; I217-L239 HydrophobicContact CG2-CG 3.9Å; I217-L242 HydrophobicContact CD1-CD2 4.44Å; I217-A243 HydrophobicContact CD1-CB 3.98Å; I217-A243 HydrophobicContact CG1-CB 4.41Å; I217-P249 PolarHBondContact N-O 3.4Å; I217-P249 VanDerWaalsContact N-O 3.1Å; I217-L250 HydrophobicContact CB-CD1 4Å; I217-L250 HydrophobicContact CG2-CD1 3.7Å; I217-I251 PolarHBondContact O-N 3.05Å
218L98.2Very high92.1Very high1 Ų151 Ų511%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-108122.7176.2176.766000109.6V165 L166 V167 I181 I185 V220 I251V165-L218 HydrophobicContact CG1-CB 3.61Å; V165-L218 HydrophobicContact CG1-CD2 4.22Å; L166-L218 PolarHBondContact O-N 3.2Å; V167-L218 HydrophobicContact CB-CB 4.38Å; V167-L218 HydrophobicContact CG2-CD2 4.43Å; V167-L218 HydrophobicContact CG2-CG 4.5Å; I181-L218 HydrophobicContact CG2-CD2 4.04Å; I185-L218 HydrophobicContact CD1-CD2 3.91Å; I185-L218 HydrophobicContact CG1-CD2 4.21Å; L218-V220 HydrophobicContact CD1-CG2 4.2Å; L218-V220 HydrophobicContact CD2-CG2 3.98Å; L218-V220 HydrophobicContact CG-CG2 3.87Å; L218-I251 WeakPolarHBondContact CA-O 3.24Å; L218-I251 HydrophobicContact CD1-CB 4Å; L218-I251 HydrophobicContact CD1-CG2 3.68Å
219K97.3Very high91.7Very high30 Ų3045.9 Ų45.913%0.1325%0.249CC..EExtended strand (participates in β ladder)trans-103.9134.6165-171168.8-17359.30109.6E171 T233 L236 I251 N252 D253E171-K219 IonicContact OE1-NZ 3.8Å; E171-K219 PolarHBondContact OE1-NZ 2.89Å; E171-K219 WeakPolarHBondContact OE2-CA 3.38Å; K219-T233 PolarHBondContact NZ-OG1 3.1Å; K219-L236 HydrophobicContact CD-CD1 3.52Å; K219-I251 PolarHBondContact N-O 3.26Å; K219-N252 WeakPolarHBondContact O-CA 3.38Å; K219-D253 PolarHBondContact O-N 3.19Å
220V95Very high91.4Very high1 Ų153.2 Ų53.21%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-122.3123.2174.3-173.90000109.8E171 V173 I181 L218 D253E171-V220 HydrophobicContact CB-CB 4.17Å; E171-V220 WeakPolarHBondContact CG-O 3.43Å; E171-V220 PolarHBondContact OE2-N 2.82Å; V173-V220 HydrophobicContact CG2-CG1 3.88Å; I181-V220 HydrophobicContact CD1-CG1 4.09Å; I181-V220 HydrophobicContact CD1-CG2 4.1Å; I181-V220 HydrophobicContact CG1-CG1 4.1Å; I181-V220 HydrophobicContact CG1-CG2 4.14Å; I181-V220 HydrophobicContact CG2-CG2 4.13Å; L218-V220 HydrophobicContact CD1-CG2 4.2Å; L218-V220 HydrophobicContact CD2-CG2 3.98Å; L218-V220 HydrophobicContact CG-CG2 3.87Å; V220-D253 HydrophobicContact CG1-CB 4.25Å; V220-D253 HydrophobicContact CG2-CB 4.41Å
221H90Very high91.1Very high31 Ų3154.8 Ų54.814%0.14429%0.288CS..  trans-71.4131.8176.4-174.774.8000110.3S223 R226 D253 L254 E270H221-S223 PolarHBondContact O-N 3.48Å; H221-R226 PolarHBondContact CE1-NH2 3.39Å; H221-R226 PolarHBondContact NE2-NH1 2.88Å; H221-R226 VanDerWaalsContact NE2-NH1 3.19Å; H221-R226 PolarHBondContact NE2-NH2 3.32Å; H221-D253 WeakPolarHBondContact CB-O 3.19Å; H221-D253 PolarHBondContact N-O 2.82Å; H221-L254 HydrophobicContact CB-CD1 4.42Å; H221-L254 WeakPolarHBondContact CB-O 3.47Å; H221-E270 IonicContact CE1-OE2 3.56Å; H221-E270 PolarHBondContact CE1-OE2 2.88Å; H221-E270 IonicContact NE2-OE2 2.87Å; H221-E270 PolarHBondContact NE2-OE2 3Å
222T84.1Confident91Very high28 Ų2855.9 Ų55.917%0.17229%0.289CS..  trans-75.752.3-177.952.60000112.2V173 N224 Y225 R226V173-T222 HydrophobicContact CG1-CG2 4.48Å; T222-N224 PolarHBondContact O-N 3.47Å; T222-Y225 WeakPolarHBondContact CB-O 3.16Å; T222-Y225 HydrophobicContact CG2-CE1 3.96Å; T222-Y225 HydrophobicContact CG2-CE2 4Å; T222-Y225 WeakPolarHBondContact CG2-OH 3.42Å; T222-Y225 PolarHBondContact O-N 3.32Å; T222-Y225 PolarHBondContact OG1-O 3.44Å; T222-R226 PolarHBondContact O-NH1 3.45Å; T222-R226 PolarHBondContact OG1-NH1 3.35Å
223S77.7Confident90.8Very high1 Ų150.6 Ų50.61%0.00727%0.27CS..THydrogen-bonded Turntrans-57.6-22.8-165.968.70000115.7H221 G390 S391H221-S223 PolarHBondContact O-N 3.48Å; S223-G390 VanDerWaalsContact CB-O 3.3Å; S223-G390 WeakPolarHBondContact CB-O 3.28Å; S223-G390 CarbonylContact O-C 3.58Å; S223-S391 PolarHBondContact O-N 3.49Å
224N78.8Confident90.7Very high48 Ų4845.7 Ų45.726%0.25725%0.248SC..THydrogen-bonded Turntrans-111.90.8-175.564.7-41.5000116.2E174 T222 G389E174-N224 PolarHBondContact O-ND2 3.39Å; T222-N224 PolarHBondContact O-N 3.47Å; N224-G389 WeakPolarHBondContact CA-O 3.46Å; N224-G389 WeakPolarHBondContact CB-O 3.22Å
225Y83Confident90.6Very high70 Ų7049.5 Ų49.528%0.27527%0.27SS..  trans-154.6165.3172.270.3-80.6000110.5G170 V173 T222 I227G170-Y225 PolarHBondContact O-OH 3.22Å; V173-Y225 HydrophobicContact CB-CE1 4.07Å; V173-Y225 HydrophobicContact CG1-CE1 3.43Å; V173-Y225 VanDerWaalsContact CG1-CE1 3.43Å; V173-Y225 VanDerWaalsContact CG1-OH 3.25Å; V173-Y225 WeakPolarHBondContact CG1-OH 3.39Å; T222-Y225 WeakPolarHBondContact CB-O 3.16Å; T222-Y225 HydrophobicContact CG2-CE1 3.96Å; T222-Y225 HydrophobicContact CG2-CE2 4Å; T222-Y225 WeakPolarHBondContact CG2-OH 3.42Å; T222-Y225 PolarHBondContact O-N 3.32Å; T222-Y225 PolarHBondContact OG1-O 3.44Å; Y225-I227 HydrophobicContact CD2-CG1 4.15Å; Y225-I227 HydrophobicContact CE2-CD1 4.15Å; Y225-I227 HydrophobicContact CE2-CG1 3.7Å
226R82.9Confident90.5Very high63 Ų6349.9 Ų49.924%0.23827%0.272CS..  trans-128.2143.7169.3-64.4-67.1-178.7-128.90.5109.2H221 T222 V228 E270 P393 E394H221-R226 PolarHBondContact CE1-NH2 3.39Å; H221-R226 PolarHBondContact NE2-NH1 2.88Å; H221-R226 VanDerWaalsContact NE2-NH1 3.19Å; H221-R226 PolarHBondContact NE2-NH2 3.32Å; T222-R226 PolarHBondContact O-NH1 3.45Å; T222-R226 PolarHBondContact OG1-NH1 3.35Å; R226-V228 HydrophobicContact CB-CG2 4.5Å; R226-E270 IonicContact CZ-OE1 3.9Å; R226-E270 IonicContact NE-OE1 3.86Å; R226-E270 VanDerWaalsContact NH2-CD 3.29Å; R226-E270 IonicContact NH2-OE1 3.23Å; R226-E270 PolarHBondContact NH2-OE1 3.44Å; R226-E270 IonicContact NH2-OE2 3.2Å; R226-E270 PolarHBondContact NH2-OE2 3.42Å; R226-P393 HydrophobicContact CG-CG 4.1Å; R226-E394 HydrophobicContact CB-CG 4.03Å; R226-E394 HydrophobicContact CG-CG 4.01Å
227I83.4Confident90.4Very high60 Ų6053.3 Ų53.331%0.30829%0.29SS..  trans-91.3118.2168.3-50.5-179.9000106.2T198 N199 Y225 T231T198-I227 HydrophobicContact CG2-CD1 4.3Å; T198-I227 WeakPolarHBondContact O-CD1 3.27Å; N199-I227 HydrophobicContact CB-CG2 4.1Å; Y225-I227 HydrophobicContact CD2-CG1 4.15Å; Y225-I227 HydrophobicContact CE2-CD1 4.15Å; Y225-I227 HydrophobicContact CE2-CG1 3.7Å; I227-T231 HydrophobicContact CB-CG2 3.72Å; I227-T231 HydrophobicContact CG2-CG2 3.35Å; I227-T231 WeakPolarHBondContact O-CG2 3.35Å
228V85.3Confident90.4Very high127 Ų12756.5 Ų56.577%0.7731%0.307SS*.  trans-107.4140.4-178.9-1790000109.2R226R226-V228 HydrophobicContact CB-CG2 4.5Å
229G90.2Very high90.4Very high59 Ų5956.5 Ų56.561%0.60831%0.307SS*.SBendtrans116.3-139.8-178.200000112T231G229-T231 PolarHBondContact O-N 2.64Å
230F90.6Very high90.4Very high175 Ų17555.3 Ų55.377%0.76830%0.303SS*.SBendtrans-77.287.9179.1-66.6-80.2000111.1N199N199-F230 PolarHBondContact ND2-O 2.9Å
231T92.6Very high90.6Very high66 Ų6661.7 Ų61.741%0.40533%0.332SS..  trans-119.3153.2-178.957.60000112.6N199 I227 G229N199-T231 HydrophobicContact CB-CG2 4.27Å; N199-T231 CarbonylContact O-C 3.46Å; N199-T231 WeakPolarHBondContact O-CA 3.23Å; N199-T231 WeakPolarHBondContact O-CB 3.36Å; I227-T231 HydrophobicContact CB-CG2 3.72Å; I227-T231 HydrophobicContact CG2-CG2 3.35Å; I227-T231 WeakPolarHBondContact O-CG2 3.35Å; G229-T231 PolarHBondContact O-N 2.64Å
232E93.8Very high91Very high94 Ų9461.2 Ų61.244%0.43933%0.331SS..BIsolated β-bridgetrans-151135.1177.1-160.9165.9151.800110.4N199 K200 T201 H202N199-E232 PolarHBondContact O-N 2.75Å; K200-E232 HydrophobicContact CB-CB 4.15Å; K200-E232 HydrophobicContact CG-CB 3.93Å; T201-E232 PolarHBondContact N-O 3.07Å; H202-E232 IonicContact CE1-OE1 3.06Å; H202-E232 PolarHBondContact CE1-OE1 3.31Å; H202-E232 IonicContact CE1-OE2 3.44Å; H202-E232 PolarHBondContact CE1-OE2 3.44Å; H202-E232 IonicContact CG-OE1 3.98Å; H202-E232 IonicContact ND1-OE1 2.76Å; H202-E232 PolarHBondContact ND1-OE1 3.29Å; H202-E232 IonicContact ND1-OE2 3.6Å; H202-E232 PolarHBondContact ND1-OE2 3.41Å
233T94.3Very high91.6Very high81 Ų8159.9 Ų59.950%0.49732%0.323SS..  trans-129.7141.6171.3173.60000107.7K219K219-T233 PolarHBondContact NZ-OG1 3.1Å
234P94.9Very high92.6Very high13 Ų1363.6 Ų63.68%0.08434%0.34CS..  trans-58.8147.5171.3-20.233.7000110.4T201 L203 Y206T201-P234 HydrophobicContact CG2-CG 4.31Å; T201-P234 VanDerWaalsContact O-CD 3.27Å; T201-P234 WeakPolarHBondContact O-CD 3.5Å; L203-P234 HydrophobicContact CB-CB 4.49Å; L203-P234 HydrophobicContact CD1-CB 4.46Å; Y206-P234 HydrophobicContact CD2-CG 4.15Å; Y206-P234 HydrophobicContact CE2-CG 3.95Å
235V95.2Very high93.5Very high87 Ų8765 Ų6553%0.52736%0.358SS..  trans-65.3140.3169.9179.60000108.3N237 D238 L239V235-N237 HydrophobicContact CG1-CB 4.45Å; V235-N237 PolarHBondContact O-N 2.92Å; V235-D238 PolarHBondContact O-N 3.16Å; V235-L239 PolarHBondContact O-N 2.84Å
236L96.2Very high94.1Very high13 Ų1367.5 Ų67.57%0.06837%0.37CS..Hα-helixtrans-65.9-37.6-171.4-164.858.7000113K219 L239 A240 L250 V276 Q279 C281K219-L236 HydrophobicContact CD-CD1 3.52Å; L236-L239 PolarHBondContact O-N 3.1Å; L236-A240 PolarHBondContact O-N 3.22Å; L236-L250 HydrophobicContact CD1-CD2 3.93Å; L236-L250 HydrophobicContact CG-CD2 4.44Å; L236-V276 HydrophobicContact CD2-CB 4.45Å; L236-V276 HydrophobicContact CD2-CG1 3.94Å; L236-V276 HydrophobicContact CD2-CG2 4.49Å; L236-Q279 HydrophobicContact CB-CB 4.21Å; L236-Q279 HydrophobicContact CD2-CB 3.94Å; L236-Q279 HydrophobicContact CG-CB 4.18Å; L236-C281 VanDerWaalsContact CD2-SG 3.58Å
237N97.3Very high94.8Very high71 Ų7171.6 Ų71.638%0.3840%0.397SS..Hα-helixtrans-58.4-48.1175.2-694.8000111.7V235 L239 A240 E241 Q279V235-N237 HydrophobicContact CG1-CB 4.45Å; V235-N237 PolarHBondContact O-N 2.92Å; N237-L239 VanDerWaalsContact C-N 3.25Å; N237-L239 PolarHBondContact O-N 3.08Å; N237-A240 WeakPolarHBondContact O-CB 3.4Å; N237-A240 PolarHBondContact O-N 3.33Å; N237-A240 VanDerWaalsContact O-N 3.11Å; N237-E241 WeakPolarHBondContact O-CG 3.34Å; N237-E241 PolarHBondContact O-N 3.34Å; N237-Q279 WeakPolarHBondContact OD1-CA 3.33Å; N237-Q279 WeakPolarHBondContact OD1-CB 3.26Å; N237-Q279 WeakPolarHBondContact OD1-CG 3.17Å; N237-Q279 PolarHBondContact OD1-O 3.12Å
238D97.8Very high95.5Very high68 Ų6869.5 Ų69.536%0.36439%0.386SS..Hα-helixtrans-62.9-36.9-179.4-54.9-10.8000111L203 V235 L242L203-D238 HydrophobicContact CD1-CB 4.08Å; L203-D238 HydrophobicContact CD2-CB 3.89Å; V235-D238 PolarHBondContact O-N 3.16Å; D238-L242 WeakPolarHBondContact O-CB 3.43Å; D238-L242 PolarHBondContact O-N 3.09Å
239L97.6Very high96.1Very high1 Ų163.9 Ų63.91%0.00535%0.352CS..Hα-helixtrans-68.3-37.9175.6-165.964.9000112L203 Y206 I217 V235 L236 N237 A243 L250L203-L239 HydrophobicContact CD1-CD1 4.26Å; Y206-L239 HydrophobicContact CD1-CD1 3.98Å; Y206-L239 HydrophobicContact CD2-CD1 3.73Å; Y206-L239 HydrophobicContact CE1-CD1 4.24Å; Y206-L239 HydrophobicContact CE2-CD1 3.98Å; Y206-L239 HydrophobicContact CG-CD1 3.72Å; I217-L239 HydrophobicContact CD1-CD1 4.05Å; I217-L239 HydrophobicContact CG2-CD1 3.91Å; I217-L239 HydrophobicContact CG2-CD2 3.86Å; I217-L239 HydrophobicContact CG2-CG 3.9Å; V235-L239 PolarHBondContact O-N 2.84Å; L236-L239 PolarHBondContact O-N 3.1Å; N237-L239 VanDerWaalsContact C-N 3.25Å; N237-L239 PolarHBondContact O-N 3.08Å; L239-A243 WeakPolarHBondContact O-CB 3.46Å; L239-A243 PolarHBondContact O-N 2.78Å; L239-L250 HydrophobicContact CD2-CD1 3.78Å; L239-L250 HydrophobicContact CG-CD1 4.02Å
240A98.2Very high96.5Very high4 Ų461.1 Ų61.13%0.03332%0.323CS..Hα-helixtrans-65.6-46.7174.500000111.1L236 N237 L242 A243 H244 L250L236-A240 PolarHBondContact O-N 3.22Å; N237-A240 WeakPolarHBondContact O-CB 3.4Å; N237-A240 PolarHBondContact O-N 3.33Å; N237-A240 VanDerWaalsContact O-N 3.11Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 3.3Å; A240-A243 PolarHBondContact O-N 3.18Å; A240-H244 WeakPolarHBondContact O-CB 3.41Å; A240-H244 PolarHBondContact O-N 2.89Å; A240-H244 PolarHBondContact O-ND1 3.34Å; A240-L250 HydrophobicContact CB-CD2 3.73Å
241E98.2Very high96.9Very high136 Ų13653 Ų5364%0.63629%0.288SS*.Hα-helixtrans-57.2-44.2175.2-73-177.4-173.400111.6N237 H244 A245N237-E241 WeakPolarHBondContact O-CG 3.34Å; N237-E241 PolarHBondContact O-N 3.34Å; E241-H244 PolarHBondContact O-N 3.16Å; E241-A245 VanDerWaalsContact O-CB 3.3Å; E241-A245 WeakPolarHBondContact O-CB 3.3Å; E241-A245 PolarHBondContact O-N 3.38Å
242L98Very high97.1Very high21 Ų2150.1 Ų50.111%0.1127%0.27CS..Hα-helixtrans-61.4-46.5175.6179.462.4000112.3L203 E207 L210 I217 D238 A240L203-L242 HydrophobicContact CD1-CB 4.28Å; L203-L242 HydrophobicContact CD1-CD2 3.89Å; L203-L242 HydrophobicContact CG-CD2 4.41Å; E207-L242 HydrophobicContact CG-CD1 3.65Å; E207-L242 HydrophobicContact CG-CD2 3.76Å; E207-L242 HydrophobicContact CG-CG 4.36Å; L210-L242 HydrophobicContact CD1-CD1 3.7Å; L210-L242 HydrophobicContact CD1-CD2 4.3Å; L210-L242 HydrophobicContact CD1-CG 4.04Å; I217-L242 HydrophobicContact CD1-CD2 4.44Å; D238-L242 WeakPolarHBondContact O-CB 3.43Å; D238-L242 PolarHBondContact O-N 3.09Å; A240-L242 VanDerWaalsContact C-N 3.31Å; A240-L242 PolarHBondContact O-N 3.3Å
243A98.1Very high97.3Very high0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-61.3-48.7178.500000111I217 L239 A240 A245 K246 N247 L248 L250I217-A243 HydrophobicContact CD1-CB 3.98Å; I217-A243 HydrophobicContact CG1-CB 4.41Å; L239-A243 WeakPolarHBondContact O-CB 3.46Å; L239-A243 PolarHBondContact O-N 2.78Å; A240-A243 PolarHBondContact O-N 3.18Å; A243-A245 PolarHBondContact O-N 2.81Å; A243-K246 CarbonylContact O-C 3.34Å; A243-K246 PolarHBondContact O-N 2.82Å; A243-N247 PolarHBondContact O-N 3.39Å; A243-L248 CarbonylContact C-O 3.56Å; A243-L248 HydrophobicContact CB-CB 4.36Å; A243-L248 WeakPolarHBondContact CB-O 3.38Å; A243-L248 PolarHBondContact O-N 3.41Å; A243-L250 HydrophobicContact CB-CB 4.21Å
244H98.1Very high97.3Very high79 Ų7941.9 Ų41.937%0.36623%0.226SC..Hα-helixtrans-67-36.1-177.5-63.5166.5000112.3A240 E241 K246 N247 G280 D282A240-H244 WeakPolarHBondContact O-CB 3.41Å; A240-H244 PolarHBondContact O-N 2.89Å; A240-H244 PolarHBondContact O-ND1 3.34Å; E241-H244 PolarHBondContact O-N 3.16Å; H244-K246 PolarHBondContact O-N 3.45Å; H244-K246 VanDerWaalsContact O-N 3.08Å; H244-N247 PolarHBondContact O-N 2.99Å; H244-G280 PolarHBondContact CE1-O 3.29Å; H244-D282 IonicContact CD2-OD2 3.57Å; H244-D282 IonicContact NE2-OD1 3Å; H244-D282 PolarHBondContact NE2-OD1 3.16Å; H244-D282 IonicContact NE2-OD2 2.69Å; H244-D282 PolarHBondContact NE2-OD2 3.23Å
245A97.4Very high97.1Very high77 Ų7741.3 Ų41.364%0.63622%0.223SC*.Hα-helixtrans-59.2-20.817300000113.2E241 A243E241-A245 VanDerWaalsContact O-CB 3.3Å; E241-A245 WeakPolarHBondContact O-CB 3.3Å; E241-A245 PolarHBondContact O-N 3.38Å; A243-A245 PolarHBondContact O-N 2.81Å
246K96.4Very high96.9Very high123 Ų12337.3 Ų37.354%0.53520%0.199SC..THydrogen-bonded Turntrans-1087.4175.5-60.7-58.5-173.9177.40113.9L210 A243 H244 L248L210-K246 HydrophobicContact CD1-CG 3.99Å; L210-K246 HydrophobicContact CD2-CG 4.29Å; A243-K246 CarbonylContact O-C 3.34Å; A243-K246 PolarHBondContact O-N 2.82Å; H244-K246 PolarHBondContact O-N 3.45Å; H244-K246 VanDerWaalsContact O-N 3.08Å; K246-L248 VanDerWaalsContact C-N 3.26Å; K246-L248 HydrophobicContact CB-CD1 3.85Å; K246-L248 HydrophobicContact CB-CG 3.9Å; K246-L248 PolarHBondContact O-N 2.97Å
247N96.5Very high96.7Very high148 Ų14836.7 Ų36.779%0.79120%0.195SC*.THydrogen-bonded Turntrans56.338.2-174.3-52.2-71.3000113.2A243 H244A243-N247 PolarHBondContact O-N 3.39Å; H244-N247 PolarHBondContact O-N 2.99Å
248L98Very high96.6Very high17 Ų1733.4 Ų33.49%0.08918%0.178CC..  trans-105.3144.4177.4-60.3173.6000110.6L210 T214 A243 K246L210-L248 HydrophobicContact CD2-CD1 3.52Å; T214-L248 HydrophobicContact CG2-CD1 3.45Å; T214-L248 VanDerWaalsContact CG2-CD1 3.45Å; T214-L248 HydrophobicContact CG2-CD2 4.23Å; T214-L248 HydrophobicContact CG2-CG 4.48Å; T214-L248 WeakPolarHBondContact O-CD2 3.13Å; A243-L248 CarbonylContact C-O 3.56Å; A243-L248 HydrophobicContact CB-CB 4.36Å; A243-L248 WeakPolarHBondContact CB-O 3.38Å; A243-L248 PolarHBondContact O-N 3.41Å; K246-L248 VanDerWaalsContact C-N 3.26Å; K246-L248 HydrophobicContact CB-CD1 3.85Å; K246-L248 HydrophobicContact CB-CG 3.9Å; K246-L248 PolarHBondContact O-N 2.97Å
249P98.2Very high96.5Very high9 Ų931.3 Ų31.36%0.05817%0.166CC..  trans-71.7136.8168.528.2-31.7000111.2L159 G215 A216 I217 D282 Y306L159-P249 HydrophobicContact CD1-CG 4.48Å; G215-P249 VanDerWaalsContact O-CD 3.27Å; G215-P249 WeakPolarHBondContact O-CD 3.02Å; A216-P249 HydrophobicContact CB-CG 3.92Å; I217-P249 PolarHBondContact N-O 3.4Å; I217-P249 VanDerWaalsContact N-O 3.1Å; P249-D282 WeakPolarHBondContact CA-OD2 3.36Å; P249-D282 HydrophobicContact CB-CB 4.33Å; P249-Y306 HydrophobicContact CB-CE1 3.97Å; P249-Y306 HydrophobicContact CB-CE2 3.98Å; P249-Y306 HydrophobicContact CG-CE1 4.27Å
250L98.6Very high96.4Very high0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-91.2112.2161.1177.960.4000109.9I217 L236 L239 A240 A243 D282 I283I217-L250 HydrophobicContact CB-CD1 4Å; I217-L250 HydrophobicContact CG2-CD1 3.7Å; L236-L250 HydrophobicContact CD1-CD2 3.93Å; L236-L250 HydrophobicContact CG-CD2 4.44Å; L239-L250 HydrophobicContact CD2-CD1 3.78Å; L239-L250 HydrophobicContact CG-CD1 4.02Å; A240-L250 HydrophobicContact CB-CD2 3.73Å; A243-L250 HydrophobicContact CB-CB 4.21Å; L250-D282 PolarHBondContact N-OD2 3.4Å; L250-D282 PolarHBondContact O-N 3.04Å; L250-I283 PolarHBondContact O-N 2.97Å
251I98.5Very high96.2Very high4 Ų433.7 Ų33.72%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-99.4130.3177-58.3161.4000108.4V155 L156 L159 T160 A216 I217 L218 K219 I283V155-I251 HydrophobicContact CG1-CD1 3.7Å; V155-I251 HydrophobicContact CG1-CG1 3.97Å; V155-I251 HydrophobicContact CG1-CG2 3.79Å; L156-I251 HydrophobicContact CD2-CD1 4.2Å; L159-I251 HydrophobicContact CD1-CD1 4.19Å; L159-I251 HydrophobicContact CD1-CG1 4.44Å; T160-I251 HydrophobicContact CG2-CD1 4.47Å; A216-I251 HydrophobicContact CB-CD1 3.65Å; A216-I251 HydrophobicContact CB-CG1 4.46Å; I217-I251 PolarHBondContact O-N 3.05Å; L218-I251 WeakPolarHBondContact CA-O 3.24Å; L218-I251 HydrophobicContact CD1-CB 4Å; L218-I251 HydrophobicContact CD1-CG2 3.68Å; K219-I251 PolarHBondContact N-O 3.26Å; I251-I283 WeakPolarHBondContact CA-O 3.46Å; I251-I283 HydrophobicContact CG1-CB 4.42Å; I251-I283 HydrophobicContact CG2-CG2 4.3Å
252N97.9Very high95.9Very high6 Ų627.2 Ų27.23%0.03215%0.148CC..EExtended strand (participates in β ladder)trans-123.7110.5175.9-169.4-23.3000111.2K219 L254 V276 C281 I283 V284 T285K219-N252 WeakPolarHBondContact O-CA 3.38Å; N252-L254 PolarHBondContact O-N 3.23Å; N252-L254 VanDerWaalsContact O-N 3.14Å; N252-L254 PolarHBondContact OD1-N 2.88Å; N252-V276 HydrophobicContact CB-CG1 4.02Å; N252-V276 WeakPolarHBondContact ND2-CG1 3.39Å; N252-C281 HydrophobicContact CB-CB 4.33Å; N252-I283 PolarHBondContact N-O 2.99Å; N252-V284 HydrophobicContact CB-CG2 4.47Å; N252-V284 CarbonylContact O-C 3.53Å; N252-V284 VanDerWaalsContact O-CA 3.27Å; N252-V284 WeakPolarHBondContact O-CA 3.32Å; N252-T285 PolarHBondContact O-N 2.9Å
253D97Very high95.7Very high2 Ų232.1 Ų32.11%0.01117%0.165CC..EExtended strand (participates in β ladder)trans-80.289165.6-176.525.9000109.9N148 V152 K219 V220 H221 G255 T285N148-D253 PolarHBondContact ND2-OD1 2.98Å; V152-D253 HydrophobicContact CG2-CB 4.03Å; K219-D253 PolarHBondContact O-N 3.19Å; V220-D253 HydrophobicContact CG1-CB 4.25Å; V220-D253 HydrophobicContact CG2-CB 4.41Å; H221-D253 WeakPolarHBondContact CB-O 3.19Å; H221-D253 PolarHBondContact N-O 2.82Å; D253-G255 VanDerWaalsContact C-N 3.29Å; D253-G255 PolarHBondContact OD1-N 3.17Å; D253-T285 WeakPolarHBondContact CA-OG1 3.22Å; D253-T285 PolarHBondContact OD1-OG1 3.29Å
254L95.1Very high95.4Very high1 Ų136.9 Ų36.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-69.3-32.5177.5-177.960.7000111.1H221 N252 S256 P271 V273 V276 V284 T285H221-L254 HydrophobicContact CB-CD1 4.42Å; H221-L254 WeakPolarHBondContact CB-O 3.47Å; N252-L254 PolarHBondContact O-N 3.23Å; N252-L254 VanDerWaalsContact O-N 3.14Å; N252-L254 PolarHBondContact OD1-N 2.88Å; L254-S256 PolarHBondContact O-N 2.71Å; L254-P271 HydrophobicContact CD1-CG 3.92Å; L254-V273 HydrophobicContact CD2-CB 4.44Å; L254-V273 HydrophobicContact CD2-CG2 3.73Å; L254-V276 HydrophobicContact CD1-CG2 4.23Å; L254-V276 HydrophobicContact CD2-CG2 4.29Å; L254-V284 HydrophobicContact CB-CG1 3.87Å; L254-V284 HydrophobicContact CD2-CG1 4.42Å; L254-T285 PolarHBondContact N-O 3.44Å
255G91.5Very high94.9Very high1 Ų135.9 Ų35.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans72.5-46.7170.200000116.1D253 T285 S287 K290D253-G255 VanDerWaalsContact C-N 3.29Å; D253-G255 PolarHBondContact OD1-N 3.17Å; G255-T285 PolarHBondContact N-O 2.64Å; G255-T285 VanDerWaalsContact N-O 3.15Å; G255-S287 VanDerWaalsContact O-CB 3.32Å; G255-S287 WeakPolarHBondContact O-CB 3.44Å; G255-S287 PolarHBondContact O-N 3.08Å; G255-S287 PolarHBondContact O-OG 2.93Å; G255-K290 WeakPolarHBondContact O-CD 3.44Å; G255-K290 PolarHBondContact O-NZ 3.41Å
256S89.9Confident94.4Very high3 Ų334.7 Ų34.72%0.02119%0.186CC..SBendtrans-77.4-29.3-170.870.50000114.2L254 K290 L291L254-S256 PolarHBondContact O-N 2.71Å; S256-K290 WeakPolarHBondContact O-CB 3.34Å; S256-L291 PolarHBondContact O-N 3.13Å
257G92.8Very high94.2Very high0 Ų029.2 Ų29.20%016%0.162CC..  trans73.931.5177.700000114.6L259 F286 L292G257-L259 PolarHBondContact O-N 3.4Å; G257-F286 VanDerWaalsContact CA-CD2 3.4Å; G257-L292 PolarHBondContact O-N 3.36Å
258L94.9Very high93.9Very high1 Ų125 Ų251%0.00514%0.143CC..  trans-71.3122.2178.9-172.865.9000111.6M260 M262 E270 T272 V273 L291L258-M260 VanDerWaalsContact CD1-O 3.23Å; L258-M260 WeakPolarHBondContact CD1-O 3.4Å; L258-M260 VanDerWaalsContact CG-O 3.24Å; L258-M260 WeakPolarHBondContact CG-O 3.27Å; L258-M262 HydrophobicContact CD1-CG 3.48Å; L258-M262 VanDerWaalsContact CD1-CG 3.48Å; L258-M262 HydrophobicContact CD1-SD 4.06Å; L258-M262 HydrophobicContact CD2-CG 4.28Å; L258-M262 HydrophobicContact CG-CG 4.48Å; L258-E270 HydrophobicContact CD2-CB 3.77Å; L258-T272 HydrophobicContact CD2-CG2 4.46Å; L258-T272 HydrophobicContact CG-CG2 4.45Å; L258-T272 CarbonylContact O-C 3.09Å; L258-T272 WeakPolarHBondContact O-CA 3.33Å; L258-V273 PolarHBondContact O-N 2.64Å; L258-L291 HydrophobicContact CB-CB 4.33Å; L258-L291 HydrophobicContact CB-CD1 3.97Å; L258-L291 HydrophobicContact CD1-CB 3.99Å; L258-L291 HydrophobicContact CD1-CD1 3.97Å; L258-L291 HydrophobicContact CD1-CG 4.47Å; L258-L291 HydrophobicContact CG-CD1 4.4Å
259L96.5Very high93.6Very high24 Ų2429.1 Ų29.113%0.12616%0.158CC..  trans-103.9-16178.5-66.5-168.4000114.7L136 T137 G257 V273 L292 L333 Y336L136-L259 HydrophobicContact CD1-CD1 4.22Å; T137-L259 HydrophobicContact CG2-CD2 4.34Å; G257-L259 PolarHBondContact O-N 3.4Å; L259-V273 HydrophobicContact CD2-CB 3.87Å; L259-V273 HydrophobicContact CD2-CG2 3.75Å; L259-L292 HydrophobicContact CD1-CD1 3.23Å; L259-L292 HydrophobicContact CG-CD1 3.65Å; L259-L333 HydrophobicContact CD1-CD2 3.92Å; L259-Y336 HydrophobicContact CB-CD1 3.92Å; L259-Y336 HydrophobicContact CB-CE1 3.96Å; L259-Y336 HydrophobicContact CD1-CD1 4.06Å; L259-Y336 HydrophobicContact CD1-CD2 4.41Å; L259-Y336 HydrophobicContact CD1-CE1 4.41Å; L259-Y336 HydrophobicContact CD1-CG 4.06Å
260M94.1Very high93.2Very high8 Ų829.6 Ų29.64%0.03916%0.16CC..SBendtrans-137.5157.7-176.567.9179-66.300111.4L258 M262 F265 Y336 E339 L343 L349L258-M260 VanDerWaalsContact CD1-O 3.23Å; L258-M260 WeakPolarHBondContact CD1-O 3.4Å; L258-M260 VanDerWaalsContact CG-O 3.24Å; L258-M260 WeakPolarHBondContact CG-O 3.27Å; M260-M262 HydrophobicContact CG-SD 3.92Å; M260-M262 PolarHBondContact O-N 3.48Å; M260-F265 HydrophobicContact CE-CE2 4.39Å; M260-Y336 HydrophobicContact SD-CE1 4.42Å; M260-E339 HydrophobicContact CE-CB 4.03Å; M260-E339 HydrophobicContact CE-CG 4.34Å; M260-L343 HydrophobicContact CE-CD1 3.85Å; M260-L343 HydrophobicContact CE-CD2 3.83Å; M260-L343 HydrophobicContact CE-CG 3.76Å; M260-L343 HydrophobicContact SD-CD2 4.09Å; M260-L343 HydrophobicContact SD-CG 4.18Å; M260-L349 HydrophobicContact SD-CD1 3.81Å
261D93.8Very high92.9Very high47 Ų4730.6 Ų30.625%0.25117%0.166SC..  trans-71.8125.4179.5-177.911.3000111.4R263D261-R263 VanDerWaalsContact CG-NE 3.3Å; D261-R263 WeakPolarHBondContact OD1-CB 3.46Å; D261-R263 VanDerWaalsContact OD1-CG 3.25Å; D261-R263 WeakPolarHBondContact OD1-CG 3.11Å; D261-R263 IonicContact OD1-CZ 2.71Å; D261-R263 PolarHBondContact OD1-N 3.22Å; D261-R263 IonicContact OD1-NE 3.03Å; D261-R263 PolarHBondContact OD1-NE 2.83Å; D261-R263 IonicContact OD1-NH2 2.64Å; D261-R263 IonicContact OD2-CZ 2.8Å; D261-R263 IonicContact OD2-NE 2.8Å; D261-R263 PolarHBondContact OD2-NE 3.33Å; D261-R263 IonicContact OD2-NH2 2.73Å; D261-R263 PolarHBondContact OD2-NH2 2.72Å
262M93.3Very high92.8Very high0 Ų031 Ų310%017%0.169CC..  trans-99.5-2.7-179.3-55.3-59.3-67.300114.3L258 M260 P264 F265 L267 L349 I352L258-M262 HydrophobicContact CD1-CG 3.48Å; L258-M262 VanDerWaalsContact CD1-CG 3.48Å; L258-M262 HydrophobicContact CD1-SD 4.06Å; L258-M262 HydrophobicContact CD2-CG 4.28Å; L258-M262 HydrophobicContact CG-CG 4.48Å; M260-M262 HydrophobicContact CG-SD 3.92Å; M260-M262 PolarHBondContact O-N 3.48Å; M262-P264 VanDerWaalsContact C-N 3.29Å; M262-F265 HydrophobicContact CB-CD2 4.44Å; M262-F265 HydrophobicContact CE-CD2 3.78Å; M262-F265 HydrophobicContact CE-CE2 4.32Å; M262-F265 HydrophobicContact CE-CG 4.47Å; M262-F265 WeakPolarHBondContact O-CB 3.23Å; M262-F265 PolarHBondContact O-N 2.65Å; M262-F265 HydrophobicContact SD-CD2 4.23Å; M262-F265 HydrophobicContact SD-CE2 4.43Å; M262-L267 HydrophobicContact CB-CB 3.96Å; M262-L267 HydrophobicContact CB-CD1 3.66Å; M262-L267 HydrophobicContact CB-CG 4.03Å; M262-L267 HydrophobicContact CG-CD1 4.27Å; M262-L349 HydrophobicContact CE-CD2 4Å; M262-L349 HydrophobicContact SD-CD2 4.21Å; M262-I352 HydrophobicContact CE-CB 4.26Å; M262-I352 HydrophobicContact CE-CD1 4.48Å; M262-I352 HydrophobicContact CE-CG2 3.58Å
263R93.5Very high92.7Very high125 Ų12530.8 Ų30.847%0.47217%0.168SC..G310 helixtrans-55.4-36.2176.5-66.7174.3-63.9-177.80.4113.9D261 F265 G266 L267D261-R263 VanDerWaalsContact CG-NE 3.3Å; D261-R263 WeakPolarHBondContact OD1-CB 3.46Å; D261-R263 VanDerWaalsContact OD1-CG 3.25Å; D261-R263 WeakPolarHBondContact OD1-CG 3.11Å; D261-R263 IonicContact OD1-CZ 2.71Å; D261-R263 PolarHBondContact OD1-N 3.22Å; D261-R263 IonicContact OD1-NE 3.03Å; D261-R263 PolarHBondContact OD1-NE 2.83Å; D261-R263 IonicContact OD1-NH2 2.64Å; D261-R263 IonicContact OD2-CZ 2.8Å; D261-R263 IonicContact OD2-NE 2.8Å; D261-R263 PolarHBondContact OD2-NE 3.33Å; D261-R263 IonicContact OD2-NH2 2.73Å; D261-R263 PolarHBondContact OD2-NH2 2.72Å; R263-F265 PolarHBondContact O-N 3.44Å; R263-G266 PolarHBondContact O-N 3.46Å; R263-L267 WeakPolarHBondContact CA-O 3.26Å
264P91Very high92.8Very high100 Ų10034.9 Ų34.965%0.64919%0.185SC*.G310 helixtrans-57.2-19.7173.5-2737000114.5M262M262-P264 VanDerWaalsContact C-N 3.29Å
265F87.6Confident92.8Very high58 Ų5837.4 Ų37.425%0.25420%0.197SC..G310 helixtrans-99.216.5177.7-49.4-75.6000113M260 M262 R263 L267 L343M260-F265 HydrophobicContact CE-CE2 4.39Å; M262-F265 HydrophobicContact CB-CD2 4.44Å; M262-F265 HydrophobicContact CE-CD2 3.78Å; M262-F265 HydrophobicContact CE-CE2 4.32Å; M262-F265 HydrophobicContact CE-CG 4.47Å; M262-F265 WeakPolarHBondContact O-CB 3.23Å; M262-F265 PolarHBondContact O-N 2.65Å; M262-F265 HydrophobicContact SD-CD2 4.23Å; M262-F265 HydrophobicContact SD-CE2 4.43Å; R263-F265 PolarHBondContact O-N 3.44Å; F265-L267 VanDerWaalsContact C-N 3.34Å; F265-L343 HydrophobicContact CE1-CD1 4.3Å; F265-L343 HydrophobicContact CE1-CD2 3.94Å; F265-L343 HydrophobicContact CE2-CD1 4.34Å; F265-L343 HydrophobicContact CE2-CD2 3.63Å; F265-L343 HydrophobicContact CZ-CD1 3.51Å; F265-L343 HydrophobicContact CZ-CD2 3.27Å; F265-L343 HydrophobicContact CZ-CG 4.02Å
266G87.1Confident93.1Very high52 Ų5237.4 Ų37.454%0.53620%0.197SC..THydrogen-bonded Turntrans83.34.8177.700000114.8R263 H395R263-G266 PolarHBondContact O-N 3.46Å; G266-H395 PolarHBondContact O-CE1 3.33Å; G266-H395 VanDerWaalsContact O-CE1 3.31Å; G266-H395 PolarHBondContact O-NE2 2.91Å
267L91.4Very high93.5Very high7 Ų738.4 Ų38.44%0.03720%0.202CC..PPolyproline II helixtrans-80150.3179.3-57.9-161.8000112.1M262 R263 F265 I352 I387 Y392 H395 L397M262-L267 HydrophobicContact CB-CB 3.96Å; M262-L267 HydrophobicContact CB-CD1 3.66Å; M262-L267 HydrophobicContact CB-CG 4.03Å; M262-L267 HydrophobicContact CG-CD1 4.27Å; R263-L267 WeakPolarHBondContact CA-O 3.26Å; F265-L267 VanDerWaalsContact C-N 3.34Å; L267-I352 HydrophobicContact CD1-CG2 3.94Å; L267-I387 HydrophobicContact CD1-CD1 3.6Å; L267-I387 HydrophobicContact CD2-CD1 3.52Å; L267-I387 HydrophobicContact CG-CD1 4.27Å; L267-Y392 HydrophobicContact CB-CD1 4.44Å; L267-Y392 HydrophobicContact CB-CE1 3.81Å; L267-Y392 HydrophobicContact CD1-CD1 4.44Å; L267-Y392 HydrophobicContact CD1-CD2 3.84Å; L267-Y392 HydrophobicContact CD1-CE1 4.15Å; L267-Y392 HydrophobicContact CD1-CE2 3.51Å; L267-Y392 HydrophobicContact CD1-CG 4.29Å; L267-H395 WeakPolarHBondContact CD2-CD2 3.36Å; L267-L397 HydrophobicContact CD2-CD2 3.66Å
268P90.8Very high93.7Very high60 Ų6043.3 Ų43.339%0.3923%0.228SC..PPolyproline II helixtrans-64.7165.8170.227.3-31.9000110.9E270 Y392P268-E270 PolarHBondContact O-N 3.31Å; P268-Y392 HydrophobicContact CG-CD1 3.73Å; P268-Y392 HydrophobicContact CG-CE1 3.76Å; P268-Y392 VanDerWaalsContact O-CE1 3.29Å; P268-Y392 WeakPolarHBondContact O-CE1 3.29Å; P268-Y392 PolarHBondContact O-OH 2.89Å
269Y91.5Very high93.8Very high103 Ų10346.2 Ų46.240%0.40424%0.242SC..PPolyproline II helixtrans-60.2129.9174.5175.1-107000110.8P271 E275Y269-P271 HydrophobicContact CE1-CB 4.4Å; Y269-P271 WeakPolarHBondContact OH-CA 3.44Å; Y269-P271 WeakPolarHBondContact OH-CB 3.45Å; Y269-E275 PolarHBondContact OH-OE2 3.38Å
270E90.6Very high93.9Very high19 Ų1946.2 Ų46.29%0.08925%0.248CC..  trans-132139.2162.8-72.2-66160.800107.7H221 R226 L258 P268 T272 Y392H221-E270 IonicContact CE1-OE2 3.56Å; H221-E270 PolarHBondContact CE1-OE2 2.88Å; H221-E270 IonicContact NE2-OE2 2.87Å; H221-E270 PolarHBondContact NE2-OE2 3Å; R226-E270 IonicContact CZ-OE1 3.9Å; R226-E270 IonicContact NE-OE1 3.86Å; R226-E270 VanDerWaalsContact NH2-CD 3.29Å; R226-E270 IonicContact NH2-OE1 3.23Å; R226-E270 PolarHBondContact NH2-OE1 3.44Å; R226-E270 IonicContact NH2-OE2 3.2Å; R226-E270 PolarHBondContact NH2-OE2 3.42Å; L258-E270 HydrophobicContact CD2-CB 3.77Å; P268-E270 PolarHBondContact O-N 3.31Å; E270-T272 PolarHBondContact O-N 2.53Å; E270-Y392 HydrophobicContact CB-CE1 4.18Å; E270-Y392 WeakPolarHBondContact CB-OH 3.23Å; E270-Y392 HydrophobicContact CG-CD1 3.88Å; E270-Y392 HydrophobicContact CG-CE1 3.17Å; E270-Y392 HydrophobicContact CG-CE2 3.95Å; E270-Y392 WeakPolarHBondContact CG-OH 2.94Å
271P92Very high94.1Very high22 Ų2246 Ų4614%0.14325%0.247CC..  trans-71134.2-177.130.4-34.6000110.6L254 Y269 E275 V276L254-P271 HydrophobicContact CD1-CG 3.92Å; Y269-P271 HydrophobicContact CE1-CB 4.4Å; Y269-P271 WeakPolarHBondContact OH-CA 3.44Å; Y269-P271 WeakPolarHBondContact OH-CB 3.45Å; P271-E275 WeakPolarHBondContact CA-OE2 3.15Å; P271-V276 HydrophobicContact CB-CG2 3.77Å; P271-V276 HydrophobicContact CG-CG2 4.16Å
272T95.6Very high94.3Very high13 Ų1344 Ų448%0.0824%0.236CC..  trans-75.9158.7171.969.20000110.8L258 E270 K274 E275 V276L258-T272 HydrophobicContact CD2-CG2 4.46Å; L258-T272 HydrophobicContact CG-CG2 4.45Å; L258-T272 CarbonylContact O-C 3.09Å; L258-T272 WeakPolarHBondContact O-CA 3.33Å; E270-T272 PolarHBondContact O-N 2.53Å; T272-K274 PolarHBondContact O-N 3.03Å; T272-E275 PolarHBondContact N-OE2 2.93Å; T272-E275 PolarHBondContact O-N 3.32Å; T272-E275 VanDerWaalsContact O-N 3.13Å; T272-E275 VanDerWaalsContact OG1-CG 3.29Å; T272-E275 WeakPolarHBondContact OG1-CG 3.21Å; T272-E275 PolarHBondContact OG1-N 3.05Å; T272-E275 VanDerWaalsContact OG1-N 3.15Å; T272-V276 WeakPolarHBondContact O-CG2 3.36Å; T272-V276 PolarHBondContact O-N 2.99Å
273V97.5Very high94.6Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-52.8-40.2174174.40000111.5T137 L254 L258 L259 L277 F286 V301T137-V273 HydrophobicContact CG2-CB 4.34Å; T137-V273 HydrophobicContact CG2-CG1 3.6Å; L254-V273 HydrophobicContact CD2-CB 4.44Å; L254-V273 HydrophobicContact CD2-CG2 3.73Å; L258-V273 PolarHBondContact O-N 2.64Å; L259-V273 HydrophobicContact CD2-CB 3.87Å; L259-V273 HydrophobicContact CD2-CG2 3.75Å; V273-L277 HydrophobicContact CG1-CD1 4.28Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 3.05Å; V273-F286 HydrophobicContact CB-CE1 4.29Å; V273-F286 HydrophobicContact CG1-CD1 4.26Å; V273-F286 HydrophobicContact CG1-CE1 3.65Å; V273-F286 HydrophobicContact CG1-CZ 4.21Å; V273-F286 HydrophobicContact CG2-CD1 3.64Å; V273-F286 HydrophobicContact CG2-CD2 4.32Å; V273-F286 HydrophobicContact CG2-CE1 3.58Å; V273-F286 HydrophobicContact CG2-CE2 4.24Å; V273-F286 HydrophobicContact CG2-CG 4.02Å; V273-F286 HydrophobicContact CG2-CZ 3.87Å; V273-V301 HydrophobicContact CG1-CG2 3.69Å
274K97.4Very high94.8Very high88 Ų8838.1 Ų38.138%0.38321%0.214SC..Hα-helixtrans-65.8-47.5178.5-171.5-169.4-176-45.70111.6T272 V276 L277 D278T272-K274 PolarHBondContact O-N 3.03Å; K274-V276 VanDerWaalsContact C-N 3.3Å; K274-V276 PolarHBondContact O-N 2.93Å; K274-L277 PolarHBondContact O-N 3.36Å; K274-D278 IonicContact NZ-OD1 2.88Å; K274-D278 PolarHBondContact NZ-OD1 3.47Å; K274-D278 IonicContact NZ-OD2 2.82Å; K274-D278 PolarHBondContact NZ-OD2 3.04Å; K274-D278 VanDerWaalsContact O-CG 3.25Å; K274-D278 PolarHBondContact O-N 3.3Å
275E96.8Very high95.2Very high55 Ų5533.3 Ų33.326%0.25718%0.183SC..Hα-helixtrans-59-42.4179.2-73.8172.9158.400111.7Y269 P271 T272 L277 D278 Q279Y269-E275 PolarHBondContact OH-OE2 3.38Å; P271-E275 WeakPolarHBondContact CA-OE2 3.15Å; T272-E275 PolarHBondContact N-OE2 2.93Å; T272-E275 PolarHBondContact O-N 3.32Å; T272-E275 VanDerWaalsContact O-N 3.13Å; T272-E275 VanDerWaalsContact OG1-CG 3.29Å; T272-E275 WeakPolarHBondContact OG1-CG 3.21Å; T272-E275 PolarHBondContact OG1-N 3.05Å; T272-E275 VanDerWaalsContact OG1-N 3.15Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.49Å; E275-D278 PolarHBondContact O-N 2.66Å; E275-Q279 WeakPolarHBondContact O-CB 3.35Å; E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 3.48Å
276V97Very high95.6Very high0 Ų030.7 Ų30.70%017%0.172CC..Hα-helixtrans-62-40.7177.71740000111.9L236 N252 L254 P271 T272 K274 Q279 C281 V284L236-V276 HydrophobicContact CD2-CB 4.45Å; L236-V276 HydrophobicContact CD2-CG1 3.94Å; L236-V276 HydrophobicContact CD2-CG2 4.49Å; N252-V276 HydrophobicContact CB-CG1 4.02Å; N252-V276 WeakPolarHBondContact ND2-CG1 3.39Å; L254-V276 HydrophobicContact CD1-CG2 4.23Å; L254-V276 HydrophobicContact CD2-CG2 4.29Å; P271-V276 HydrophobicContact CB-CG2 3.77Å; P271-V276 HydrophobicContact CG-CG2 4.16Å; T272-V276 WeakPolarHBondContact O-CG2 3.36Å; T272-V276 PolarHBondContact O-N 2.99Å; K274-V276 VanDerWaalsContact C-N 3.3Å; K274-V276 PolarHBondContact O-N 2.93Å; V276-Q279 PolarHBondContact O-N 3Å; V276-C281 HydrophobicContact CG1-CB 3.87Å; V276-C281 VanDerWaalsContact CG1-SG 3.51Å; V276-C281 WeakPolarHBondContact O-CB 3.38Å; V276-C281 PolarHBondContact O-N 3.2Å; V276-V284 HydrophobicContact CB-CG2 4.29Å; V276-V284 HydrophobicContact CG1-CG1 4.23Å; V276-V284 HydrophobicContact CG1-CG2 3.5Å
277L98Very high96.1Very high24 Ų2428.5 Ų28.513%0.12615%0.148CC..Hα-helixtrans-67.7-43.6175.2-73.1168.8000111.9T137 A139 V273 K274 E275 Q279 G280 V284 V301T137-L277 VanDerWaalsContact O-CD1 3.28Å; T137-L277 WeakPolarHBondContact O-CD1 3.43Å; A139-L277 HydrophobicContact CB-CD1 3.9Å; V273-L277 HydrophobicContact CG1-CD1 4.28Å; V273-L277 WeakPolarHBondContact O-CG 3.43Å; V273-L277 PolarHBondContact O-N 3.05Å; K274-L277 PolarHBondContact O-N 3.36Å; E275-L277 VanDerWaalsContact C-N 3.34Å; E275-L277 PolarHBondContact O-N 3.49Å; L277-Q279 PolarHBondContact O-N 2.86Å; L277-G280 PolarHBondContact O-N 2.93Å; L277-V284 HydrophobicContact CD2-CB 4.46Å; L277-V284 HydrophobicContact CD2-CG2 3.68Å; L277-V284 HydrophobicContact CG-CG2 3.94Å; L277-V301 HydrophobicContact CD1-CB 4.45Å; L277-V301 HydrophobicContact CD1-CG2 3.83Å; L277-V301 HydrophobicContact CD2-CG2 4.39Å; L277-V301 HydrophobicContact CG-CG2 4.42Å
278D97.5Very high96.3Very high104 Ų10428.2 Ų28.256%0.55615%0.146SC*.Hα-helixtrans-62.1-27.2177.4-68-17.4000111.8K274 E275 G280K274-D278 IonicContact NZ-OD1 2.88Å; K274-D278 PolarHBondContact NZ-OD1 3.47Å; K274-D278 IonicContact NZ-OD2 2.82Å; K274-D278 PolarHBondContact NZ-OD2 3.04Å; K274-D278 VanDerWaalsContact O-CG 3.25Å; K274-D278 PolarHBondContact O-N 3.3Å; E275-D278 PolarHBondContact O-N 2.66Å; D278-G280 PolarHBondContact O-N 2.76Å
279Q97.4Very high96.6Very high61 Ų6125.9 Ų25.929%0.28513%0.131SC..THydrogen-bonded Turntrans-79.74.5174.8-72.7175.1-0.400114.1L236 N237 E275 V276 L277L236-Q279 HydrophobicContact CB-CB 4.21Å; L236-Q279 HydrophobicContact CD2-CB 3.94Å; L236-Q279 HydrophobicContact CG-CB 4.18Å; N237-Q279 WeakPolarHBondContact OD1-CA 3.33Å; N237-Q279 WeakPolarHBondContact OD1-CB 3.26Å; N237-Q279 WeakPolarHBondContact OD1-CG 3.17Å; N237-Q279 PolarHBondContact OD1-O 3.12Å; E275-Q279 WeakPolarHBondContact O-CB 3.35Å; E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 3.48Å; V276-Q279 PolarHBondContact O-N 3Å; L277-Q279 PolarHBondContact O-N 2.86Å
280G97.5Very high96.8Very high24 Ų2421.5 Ų21.525%0.24711%0.114CC..THydrogen-bonded Turntrans97.69170.400000115.6H244 L277 D278 D282H244-G280 PolarHBondContact CE1-O 3.29Å; L277-G280 PolarHBondContact O-N 2.93Å; D278-G280 PolarHBondContact O-N 2.76Å; G280-D282 PolarHBondContact O-N 3.49Å
281C98.1Very high97Very high4 Ų420.7 Ų20.73%0.02711%0.11CC..  trans-64.2130.9170.9-71.60000111.6L236 N252 V276 V284L236-C281 VanDerWaalsContact CD2-SG 3.58Å; N252-C281 HydrophobicContact CB-CB 4.33Å; V276-C281 HydrophobicContact CG1-CB 3.87Å; V276-C281 VanDerWaalsContact CG1-SG 3.51Å; V276-C281 WeakPolarHBondContact O-CB 3.38Å; V276-C281 PolarHBondContact O-N 3.2Å; C281-V284 HydrophobicContact CB-CG2 3.78Å
282D98.6Very high97.2Very high6 Ų619.6 Ų19.63%0.03210%0.103CC..SBendtrans-81.2-32-179.5-65.3-69.9000112.7H244 P249 L250 G280 G302 K303 Y306H244-D282 IonicContact CD2-OD2 3.57Å; H244-D282 IonicContact NE2-OD1 3Å; H244-D282 PolarHBondContact NE2-OD1 3.16Å; H244-D282 IonicContact NE2-OD2 2.69Å; H244-D282 PolarHBondContact NE2-OD2 3.23Å; P249-D282 WeakPolarHBondContact CA-OD2 3.36Å; P249-D282 HydrophobicContact CB-CB 4.33Å; L250-D282 PolarHBondContact N-OD2 3.4Å; L250-D282 PolarHBondContact O-N 3.04Å; G280-D282 PolarHBondContact O-N 3.49Å; D282-G302 CarbonylContact O-C 3.53Å; D282-G302 WeakPolarHBondContact O-CA 3.26Å; D282-K303 HydrophobicContact CB-CG 4.14Å; D282-K303 PolarHBondContact O-N 3.15Å; D282-Y306 HydrophobicContact CB-CD2 3.86Å; D282-Y306 HydrophobicContact CB-CE2 3.59Å
283I98.7Very high97.3Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-138.6132176.1-69.4-61.9000109V155 L159 L250 I251 N252 T285 I300 V301 Y306 I307 M310V155-I283 HydrophobicContact CG1-CG2 3.95Å; V155-I283 HydrophobicContact CG2-CG2 3.8Å; L159-I283 HydrophobicContact CD1-CG1 4.4Å; L250-I283 PolarHBondContact O-N 2.97Å; I251-I283 WeakPolarHBondContact CA-O 3.46Å; I251-I283 HydrophobicContact CG1-CB 4.42Å; I251-I283 HydrophobicContact CG2-CG2 4.3Å; N252-I283 PolarHBondContact N-O 2.99Å; I283-T285 HydrophobicContact CG2-CG2 4.27Å; I283-I300 HydrophobicContact CD1-CG2 4.4Å; I283-I300 HydrophobicContact CG2-CG2 3.86Å; I283-V301 WeakPolarHBondContact CA-O 3.33Å; I283-Y306 HydrophobicContact CG1-CD2 4.23Å; I283-Y306 HydrophobicContact CG1-CG 4.31Å; I283-I307 HydrophobicContact CD1-CD1 3.76Å; I283-I307 HydrophobicContact CD1-CG1 4.06Å; I283-M310 HydrophobicContact CD1-CE 3.44Å; I283-M310 VanDerWaalsContact CD1-CE 3.44Å; I283-M310 HydrophobicContact CG1-CE 3.79Å; I283-M310 HydrophobicContact CG2-CE 4.33Å
284V98.6Very high97.3Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-123.4130.5172.5-175.30000109.4N252 L254 V276 L277 C281 F286 I300 V301N252-V284 HydrophobicContact CB-CG2 4.47Å; N252-V284 CarbonylContact O-C 3.53Å; N252-V284 VanDerWaalsContact O-CA 3.27Å; N252-V284 WeakPolarHBondContact O-CA 3.32Å; L254-V284 HydrophobicContact CB-CG1 3.87Å; L254-V284 HydrophobicContact CD2-CG1 4.42Å; V276-V284 HydrophobicContact CB-CG2 4.29Å; V276-V284 HydrophobicContact CG1-CG1 4.23Å; V276-V284 HydrophobicContact CG1-CG2 3.5Å; L277-V284 HydrophobicContact CD2-CB 4.46Å; L277-V284 HydrophobicContact CD2-CG2 3.68Å; L277-V284 HydrophobicContact CG-CG2 3.94Å; C281-V284 HydrophobicContact CB-CG2 3.78Å; V284-F286 HydrophobicContact CG1-CD1 4.41Å; V284-I300 WeakPolarHBondContact O-CA 3.07Å; V284-V301 HydrophobicContact CB-CG2 3.89Å; V284-V301 PolarHBondContact N-O 3.27Å; V284-V301 PolarHBondContact O-N 3.33Å
285T98.5Very high97.4Very high0 Ų015.5 Ų15.50%09%0.086CC..EExtended strand (participates in β ladder)trans-114.2141174.763.10000111.7N148 A151 V155 N252 D253 L254 G255 I283 I299 I300N148-T285 VanDerWaalsContact OD1-C 3.3Å; N148-T285 WeakPolarHBondContact OD1-CB 3.37Å; A151-T285 HydrophobicContact CB-CG2 3.99Å; V155-T285 HydrophobicContact CG2-CG2 3.81Å; N252-T285 PolarHBondContact O-N 2.9Å; D253-T285 WeakPolarHBondContact CA-OG1 3.22Å; D253-T285 PolarHBondContact OD1-OG1 3.29Å; L254-T285 PolarHBondContact N-O 3.44Å; G255-T285 PolarHBondContact N-O 2.64Å; G255-T285 VanDerWaalsContact N-O 3.15Å; I283-T285 HydrophobicContact CG2-CG2 4.27Å; T285-I299 VanDerWaalsContact CA-O 3.32Å; T285-I299 WeakPolarHBondContact CA-O 3.24Å; T285-I300 HydrophobicContact CG2-CG1 4.18Å; T285-I300 HydrophobicContact CG2-CG2 4.24Å
286F97.3Very high97.4Very high3 Ų316.8 Ų16.81%0.0139%0.092CC..EExtended strand (participates in β ladder)trans-154.9162175.557.6-85.2000114.2N148 G257 V273 V284 I299 V301N148-F286 VanDerWaalsContact OD1-C 3.24Å; N148-F286 WeakPolarHBondContact OD1-CA 3.39Å; N148-F286 PolarHBondContact OD1-N 2.96Å; N148-F286 PolarHBondContact OD1-O 3.35Å; G257-F286 VanDerWaalsContact CA-CD2 3.4Å; V273-F286 HydrophobicContact CB-CE1 4.29Å; V273-F286 HydrophobicContact CG1-CD1 4.26Å; V273-F286 HydrophobicContact CG1-CE1 3.65Å; V273-F286 HydrophobicContact CG1-CZ 4.21Å; V273-F286 HydrophobicContact CG2-CD1 3.64Å; V273-F286 HydrophobicContact CG2-CD2 4.32Å; V273-F286 HydrophobicContact CG2-CE1 3.58Å; V273-F286 HydrophobicContact CG2-CE2 4.24Å; V273-F286 HydrophobicContact CG2-CG 4.02Å; V273-F286 HydrophobicContact CG2-CZ 3.87Å; V284-F286 HydrophobicContact CG1-CD1 4.41Å; F286-I299 HydrophobicContact CD1-CB 4.3Å; F286-I299 HydrophobicContact CD2-CB 4.02Å; F286-I299 HydrophobicContact CD2-CD1 3.96Å; F286-I299 HydrophobicContact CD2-CG1 4.38Å; F286-I299 HydrophobicContact CE1-CB 3.86Å; F286-I299 HydrophobicContact CE1-CG2 3.77Å; F286-I299 HydrophobicContact CE2-CB 3.58Å; F286-I299 HydrophobicContact CE2-CD1 3.82Å; F286-I299 HydrophobicContact CE2-CG1 3.86Å; F286-I299 HydrophobicContact CE2-CG2 3.96Å; F286-I299 HydrophobicContact CG-CB 4.38Å; F286-I299 HydrophobicContact CZ-CB 3.51Å; F286-I299 HydrophobicContact CZ-CG1 4.18Å; F286-I299 HydrophobicContact CZ-CG2 3.39Å; F286-I299 PolarHBondContact N-O 3.36Å; F286-I299 PolarHBondContact O-N 2.99Å; F286-V301 HydrophobicContact CE1-CG1 4.17Å; F286-V301 HydrophobicContact CE1-CG2 3.98Å
287S96.3Very high97.5Very high6 Ų616.8 Ų16.84%0.0429%0.092CC..EExtended strand (participates in β ladder)trans-83141.8178-47.10000111.8N148 G255 K290 A297N148-S287 VanDerWaalsContact CB-OG 3.3Å; N148-S287 WeakPolarHBondContact CB-OG 3.32Å; G255-S287 VanDerWaalsContact O-CB 3.32Å; G255-S287 WeakPolarHBondContact O-CB 3.44Å; G255-S287 PolarHBondContact O-N 3.08Å; G255-S287 PolarHBondContact O-OG 2.93Å; S287-K290 WeakPolarHBondContact OG-CE 3.25Å; S287-A297 CarbonylContact C-O 3.52Å; S287-A297 WeakPolarHBondContact CA-O 3.39Å
288G97.5Very high97.5Very high0 Ų015.7 Ų15.70%09%0.086CC..SBendtrans-80.8-20.917500000115.3L292 G294 P295 A297G288-L292 WeakPolarHBondContact O-CB 3.49Å; G288-G294 CarbonylContact O-C 3.55Å; G288-G294 VanDerWaalsContact O-CA 3.24Å; G288-G294 WeakPolarHBondContact O-CA 3.25Å; G288-G294 PolarHBondContact O-N 3.25Å; G288-P295 CarbonylContact C-O 3.5Å; G288-P295 WeakPolarHBondContact CA-O 3.23Å; G288-A297 PolarHBondContact N-O 3.21Å
289D96.6Very high97.6Very high12 Ų1210.9 Ų10.96%0.0646%0.06CC..SBendtrans-110.131.8-171.860.4-5.9000113.1R92 S93 G294 P295 Q296R92-D289 HydrophobicContact CB-CB 4.49Å; R92-D289 VanDerWaalsContact CB-O 3.24Å; R92-D289 WeakPolarHBondContact CB-O 3.48Å; R92-D289 VanDerWaalsContact CD-CG 3.42Å; R92-D289 WeakPolarHBondContact CD-O 3.22Å; R92-D289 VanDerWaalsContact CD-OD2 3.23Å; R92-D289 WeakPolarHBondContact CD-OD2 3.48Å; R92-D289 IonicContact CZ-OD1 3.39Å; R92-D289 IonicContact CZ-OD2 3.5Å; R92-D289 IonicContact NE-OD2 2.69Å; R92-D289 IonicContact NH1-OD1 3.94Å; R92-D289 PolarHBondContact NH1-OD1 3.27Å; R92-D289 IonicContact NH1-OD2 3.52Å; R92-D289 PolarHBondContact NH1-OD2 2.95Å; S93-D289 PolarHBondContact OG-O 2.9Å; D289-G294 WeakPolarHBondContact CA-O 3.46Å; D289-P295 PolarHBondContact N-O 2.89Å; D289-Q296 WeakPolarHBondContact OD2-CB 3.28Å
290K95Very high97.6Very high11 Ų118 Ų85%0.0485%0.047CC..SBendtrans-119.6-117.2174.8-68.8-175.1-171.9176.50109.9I86 S93 G255 S256 S287 L292 G293I86-K290 HydrophobicContact CD1-CB 4.46Å; S93-K290 PolarHBondContact OG-O 3.34Å; S93-K290 VanDerWaalsContact OG-O 3.09Å; G255-K290 WeakPolarHBondContact O-CD 3.44Å; G255-K290 PolarHBondContact O-NZ 3.41Å; S256-K290 WeakPolarHBondContact O-CB 3.34Å; S287-K290 WeakPolarHBondContact OG-CE 3.25Å; K290-L292 PolarHBondContact O-N 3.2Å; K290-G293 PolarHBondContact O-N 3.22Å
291L95.2Very high97.7Very high1 Ų16.8 Ų6.81%0.0054%0.035CC..THydrogen-bonded Turntrans-70.5-18.1-178.9-68.7171000113I86 S256 L258 G293 Y336 I352 I387 S391 Y392I86-L291 HydrophobicContact CD1-CD2 3.98Å; I86-L291 HydrophobicContact CD1-CG 4.37Å; S256-L291 PolarHBondContact O-N 3.13Å; L258-L291 HydrophobicContact CB-CB 4.33Å; L258-L291 HydrophobicContact CB-CD1 3.97Å; L258-L291 HydrophobicContact CD1-CB 3.99Å; L258-L291 HydrophobicContact CD1-CD1 3.97Å; L258-L291 HydrophobicContact CD1-CG 4.47Å; L258-L291 HydrophobicContact CG-CD1 4.4Å; L291-G293 PolarHBondContact O-N 2.9Å; L291-Y336 PolarHBondContact O-OH 3.37Å; L291-I352 HydrophobicContact CD2-CD1 3.95Å; L291-I387 HydrophobicContact CD2-CG2 4.2Å; L291-S391 WeakPolarHBondContact CG-OG 3.29Å; L291-Y392 HydrophobicContact CD1-CD2 4.04Å; L291-Y392 HydrophobicContact CD1-CE2 3.72Å; L291-Y392 HydrophobicContact CD2-CD2 4.22Å; L291-Y392 HydrophobicContact CD2-CE2 4.22Å
292L96.8Very high97.7Very high0 Ų06.8 Ų6.80%04%0.035CC..THydrogen-bonded Turntrans-66.5-24169.5-175.471.1000112.6G257 L259 G288 K290 G294 I299 L329 L333 Y336G257-L292 PolarHBondContact O-N 3.36Å; L259-L292 HydrophobicContact CD1-CD1 3.23Å; L259-L292 HydrophobicContact CG-CD1 3.65Å; G288-L292 WeakPolarHBondContact O-CB 3.49Å; K290-L292 PolarHBondContact O-N 3.2Å; L292-G294 PolarHBondContact O-N 2.89Å; L292-I299 HydrophobicContact CD2-CD1 4.31Å; L292-L329 HydrophobicContact CD2-CD1 3.67Å; L292-L333 HydrophobicContact CD1-CD2 4.01Å; L292-L333 HydrophobicContact CD2-CD2 4.49Å; L292-Y336 VanDerWaalsContact C-OH 3.28Å; L292-Y336 WeakPolarHBondContact CA-OH 3.33Å; L292-Y336 HydrophobicContact CD1-CD2 4.29Å; L292-Y336 HydrophobicContact CD1-CE2 3.83Å; L292-Y336 HydrophobicContact CG-CE2 4.49Å; L292-Y336 WeakPolarHBondContact O-CE2 3.31Å; L292-Y336 PolarHBondContact O-OH 2.67Å
293G97.2Very high97.7Very high1 Ų110.1 Ų10.11%0.015%0.049CC..  trans6521.3179.200000115.4K290 L291K290-G293 PolarHBondContact O-N 3.22Å; L291-G293 PolarHBondContact O-N 2.9Å
294G98Very high97.7Very high0 Ų014.4 Ų14.40%07%0.068CC..SBendtrans-104.7-163.1-179.900000113.7L95 G288 D289 L292L95-G294 VanDerWaalsContact CD2-C 3.42Å; G288-G294 CarbonylContact O-C 3.55Å; G288-G294 VanDerWaalsContact O-CA 3.24Å; G288-G294 WeakPolarHBondContact O-CA 3.25Å; G288-G294 PolarHBondContact O-N 3.25Å; D289-G294 WeakPolarHBondContact CA-O 3.46Å; L292-G294 PolarHBondContact O-N 2.89Å
295P98.2Very high97.7Very high13 Ų1319.4 Ų19.48%0.0849%0.091CC..SBendtrans-75.9166.8176.335.2-38.6000111.6L95 G288 D289 A297 T325 A328 L329L95-P295 HydrophobicContact CD2-CB 4.26Å; G288-P295 CarbonylContact C-O 3.5Å; G288-P295 WeakPolarHBondContact CA-O 3.23Å; D289-P295 PolarHBondContact N-O 2.89Å; P295-A297 PolarHBondContact O-N 2.92Å; P295-A297 VanDerWaalsContact O-N 3.1Å; P295-T325 HydrophobicContact CB-CG2 4.3Å; P295-T325 HydrophobicContact CG-CG2 4.14Å; P295-A328 HydrophobicContact CB-CB 4.04Å; P295-A328 HydrophobicContact CG-CB 3.74Å; P295-L329 HydrophobicContact CG-CB 3.91Å
296Q97.9Very high97.7Very high83 Ų8320.5 Ų20.539%0.38810%0.096SC..SBendtrans-59.3118.7173-174.2-173.4-90.100110N146 N147 D289 T325N146-Q296 PolarHBondContact O-NE2 2.61Å; N147-Q296 HydrophobicContact CB-CG 3.89Å; D289-Q296 WeakPolarHBondContact OD2-CB 3.28Å; Q296-T325 WeakPolarHBondContact O-CG2 3.32Å
297A98.4Very high97.7Very high0 Ų020.4 Ų20.40%010%0.095CC..  trans-155.8155.8175.900000109.9V144 N146 N147 S287 G288 P295 I299 T325 L329V144-A297 HydrophobicContact CG1-CB 3.97Å; N146-A297 WeakPolarHBondContact O-CA 3.2Å; N147-A297 VanDerWaalsContact CA-C 3.48Å; S287-A297 CarbonylContact C-O 3.52Å; S287-A297 WeakPolarHBondContact CA-O 3.39Å; G288-A297 PolarHBondContact N-O 3.21Å; P295-A297 PolarHBondContact O-N 2.92Å; P295-A297 VanDerWaalsContact O-N 3.1Å; A297-I299 HydrophobicContact CB-CD1 3.87Å; A297-T325 HydrophobicContact CB-CG2 4.14Å; A297-L329 HydrophobicContact CB-CD2 4.03Å
298G98.4Very high97.8Very high0 Ų022.5 Ų22.50%011%0.106CC..EExtended strand (participates in β ladder)trans-109.1110165.100000108.4V144 V145 N147V144-G298 CarbonylContact C-O 3.59Å; V144-G298 WeakPolarHBondContact CA-O 3.37Å; V145-G298 WeakPolarHBondContact CG2-O 3.43Å; V145-G298 PolarHBondContact N-O 3.15Å; V145-G298 PolarHBondContact O-N 2.61Å; N147-G298 VanDerWaalsContact C-N 3.35Å; N147-G298 VanDerWaalsContact CA-N 3.3Å; N147-G298 VanDerWaalsContact O-CA 3.32Å; N147-G298 WeakPolarHBondContact O-CA 3.38Å
299I98.7Very high97.8Very high3 Ų327.4 Ų27.42%0.01513%0.127CC..EExtended strand (participates in β ladder)trans-97.4127.7-179.5-5684.4000107.6V133 V144 T285 F286 L292 A297 V301 L329V133-I299 HydrophobicContact CG1-CG2 4.36Å; V144-I299 HydrophobicContact CG1-CG1 4.32Å; V144-I299 HydrophobicContact CG2-CG1 4.42Å; V144-I299 HydrophobicContact CG2-CG2 4.33Å; T285-I299 VanDerWaalsContact CA-O 3.32Å; T285-I299 WeakPolarHBondContact CA-O 3.24Å; F286-I299 HydrophobicContact CD1-CB 4.3Å; F286-I299 HydrophobicContact CD2-CB 4.02Å; F286-I299 HydrophobicContact CD2-CD1 3.96Å; F286-I299 HydrophobicContact CD2-CG1 4.38Å; F286-I299 HydrophobicContact CE1-CB 3.86Å; F286-I299 HydrophobicContact CE1-CG2 3.77Å; F286-I299 HydrophobicContact CE2-CB 3.58Å; F286-I299 HydrophobicContact CE2-CD1 3.82Å; F286-I299 HydrophobicContact CE2-CG1 3.86Å; F286-I299 HydrophobicContact CE2-CG2 3.96Å; F286-I299 HydrophobicContact CG-CB 4.38Å; F286-I299 HydrophobicContact CZ-CB 3.51Å; F286-I299 HydrophobicContact CZ-CG1 4.18Å; F286-I299 HydrophobicContact CZ-CG2 3.39Å; F286-I299 PolarHBondContact N-O 3.36Å; F286-I299 PolarHBondContact O-N 2.99Å; L292-I299 HydrophobicContact CD2-CD1 4.31Å; A297-I299 HydrophobicContact CB-CD1 3.87Å; I299-V301 HydrophobicContact CG2-CG1 3.87Å; I299-L329 HydrophobicContact CG1-CD2 4.19Å
300I98.8Very high97.9Very high0 Ų026.8 Ų26.80%012%0.124CC..EExtended strand (participates in β ladder)trans-114.9120.8176.3-47.4171.6000107V142 L143 V145 A151 L154 V155 I283 V284 T285 I307 M310V142-I300 WeakPolarHBondContact CA-O 3.4Å; L143-I300 HydrophobicContact CB-CB 4.29Å; L143-I300 HydrophobicContact CB-CD1 4.44Å; L143-I300 HydrophobicContact CD2-CD1 4.31Å; L143-I300 PolarHBondContact N-O 2.9Å; L143-I300 PolarHBondContact O-N 2.62Å; L143-I300 VanDerWaalsContact O-O 3.14Å; V145-I300 HydrophobicContact CG1-CD1 4.5Å; V145-I300 HydrophobicContact CG2-CD1 4.49Å; A151-I300 HydrophobicContact CB-CD1 4.1Å; A151-I300 HydrophobicContact CB-CG1 3.71Å; L154-I300 HydrophobicContact CD2-CD1 4.06Å; V155-I300 HydrophobicContact CG2-CD1 4.13Å; V155-I300 HydrophobicContact CG2-CG2 3.96Å; I283-I300 HydrophobicContact CD1-CG2 4.4Å; I283-I300 HydrophobicContact CG2-CG2 3.86Å; V284-I300 WeakPolarHBondContact O-CA 3.07Å; T285-I300 HydrophobicContact CG2-CG1 4.18Å; T285-I300 HydrophobicContact CG2-CG2 4.24Å; I300-I307 HydrophobicContact CB-CD1 4.2Å; I300-I307 HydrophobicContact CG2-CD1 3.56Å; I300-M310 HydrophobicContact CD1-SD 4Å; I300-M310 HydrophobicContact CG2-CE 4.19Å; I300-M310 HydrophobicContact CG2-SD 3.93Å
301V98.8Very high98Very high0 Ų029.7 Ų29.70%014%0.137CC..EExtended strand (participates in β ladder)trans-128.3149.8177.8-61.10000109.9V133 T137 A139 V142 V273 L277 I283 V284 F286 I299V133-V301 HydrophobicContact CG1-CG1 3.52Å; T137-V301 HydrophobicContact CG2-CG1 4.33Å; A139-V301 HydrophobicContact CB-CB 3.72Å; A139-V301 HydrophobicContact CB-CG1 4.45Å; V142-V301 HydrophobicContact CG1-CG1 4.39Å; V142-V301 HydrophobicContact CG2-CG1 4.19Å; V273-V301 HydrophobicContact CG1-CG2 3.69Å; L277-V301 HydrophobicContact CD1-CB 4.45Å; L277-V301 HydrophobicContact CD1-CG2 3.83Å; L277-V301 HydrophobicContact CD2-CG2 4.39Å; L277-V301 HydrophobicContact CG-CG2 4.42Å; I283-V301 WeakPolarHBondContact CA-O 3.33Å; V284-V301 HydrophobicContact CB-CG2 3.89Å; V284-V301 PolarHBondContact N-O 3.27Å; V284-V301 PolarHBondContact O-N 3.33Å; F286-V301 HydrophobicContact CE1-CG1 4.17Å; F286-V301 HydrophobicContact CE1-CG2 3.98Å; I299-V301 HydrophobicContact CG2-CG1 3.87Å
302G98.4Very high98.1Very high3 Ų337.9 Ų37.93%0.03117%0.172CC..EExtended strand (participates in β ladder)trans156.3-147.3174.800000113.7E140 D141 D282E140-G302 WeakPolarHBondContact CB-O 3.44Å; E140-G302 PolarHBondContact N-O 3.34Å; D141-G302 PolarHBondContact N-O 3.13Å; D141-G302 VanDerWaalsContact N-O 3.12Å; D141-G302 PolarHBondContact O-N 3.38Å; D282-G302 CarbonylContact O-C 3.53Å; D282-G302 WeakPolarHBondContact O-CA 3.26Å
303K98.5Very high98.2Very high76 Ų7639.8 Ų39.833%0.3318%0.182SC..  trans-67.5137.7-179-61.3-66.4-176.3173.30111.9E140 D282 E305 Y306 I307E140-K303 VanDerWaalsContact CD-CD 3.41Å; E140-K303 HydrophobicContact CG-CD 4.42Å; E140-K303 WeakPolarHBondContact OE1-CD 3.48Å; E140-K303 IonicContact OE1-NZ 3.98Å; E140-K303 PolarHBondContact OE1-NZ 3.25Å; E140-K303 WeakPolarHBondContact OE2-CA 3.49Å; D282-K303 HydrophobicContact CB-CG 4.14Å; D282-K303 PolarHBondContact O-N 3.15Å; K303-E305 VanDerWaalsContact C-N 3.26Å; K303-E305 HydrophobicContact CB-CG 4.21Å; K303-E305 PolarHBondContact O-N 3.37Å; K303-Y306 HydrophobicContact CB-CD2 3.8Å; K303-Y306 HydrophobicContact CB-CE2 4.22Å; K303-Y306 HydrophobicContact CG-CD2 4.37Å; K303-Y306 HydrophobicContact CG-CE2 4.41Å; K303-Y306 PolarHBondContact O-N 3.25Å; K303-I307 WeakPolarHBondContact O-CG1 3.39Å; K303-I307 PolarHBondContact O-N 3.47Å
304K98.3Very high98.1Very high91 Ų9147.5 Ų47.540%0.39622%0.218SC..Hα-helixtrans-59.7-38-176.8178.2163.7179.846.90112.4E140 D141 Y306 I307 D308E140-K304 HydrophobicContact CB-CB 4.09Å; E140-K304 PolarHBondContact OE2-N 3.04Å; D141-K304 HydrophobicContact CB-CB 4.16Å; D141-K304 HydrophobicContact CB-CG 4.28Å; D141-K304 IonicContact OD2-NZ 3.64Å; D141-K304 PolarHBondContact OD2-NZ 2.93Å; D141-K304 VanDerWaalsContact OD2-NZ 3.12Å; K304-Y306 VanDerWaalsContact C-N 3.29Å; K304-Y306 PolarHBondContact O-N 3.13Å; K304-I307 PolarHBondContact O-N 2.98Å; K304-D308 VanDerWaalsContact CE-OD2 3.26Å; K304-D308 WeakPolarHBondContact CE-OD2 3.26Å; K304-D308 WeakPolarHBondContact CG-OD2 3.4Å; K304-D308 IonicContact NZ-OD1 2.79Å; K304-D308 PolarHBondContact NZ-OD1 2.83Å; K304-D308 IonicContact NZ-OD2 3.77Å; K304-D308 PolarHBondContact NZ-OD2 3.33Å; K304-D308 WeakPolarHBondContact O-CB 3.5Å; K304-D308 PolarHBondContact O-N 3.29Å
305E97.9Very high98.1Very high105 Ų10550.1 Ų50.149%0.49123%0.232SC..Hα-helixtrans-60.4-35.9-177.368.8176.813700113.6K303 K309K303-E305 VanDerWaalsContact C-N 3.26Å; K303-E305 HydrophobicContact CB-CG 4.21Å; K303-E305 PolarHBondContact O-N 3.37Å; E305-K309 WeakPolarHBondContact O-CG 3.42Å
306Y98.4Very high98.1Very high23 Ų2350.1 Ų50.19%0.0923%0.231CC..Hα-helixtrans-83-42-179.7-62.8-55.3000110.6L159 P249 D282 I283 K303 K304 D308 K309 M310L159-Y306 HydrophobicContact CD1-CD1 4.1Å; L159-Y306 HydrophobicContact CD1-CG 4.3Å; L159-Y306 HydrophobicContact CD2-CD1 3.68Å; L159-Y306 HydrophobicContact CD2-CG 4.41Å; P249-Y306 HydrophobicContact CB-CE1 3.97Å; P249-Y306 HydrophobicContact CB-CE2 3.98Å; P249-Y306 HydrophobicContact CG-CE1 4.27Å; D282-Y306 HydrophobicContact CB-CD2 3.86Å; D282-Y306 HydrophobicContact CB-CE2 3.59Å; I283-Y306 HydrophobicContact CG1-CD2 4.23Å; I283-Y306 HydrophobicContact CG1-CG 4.31Å; K303-Y306 HydrophobicContact CB-CD2 3.8Å; K303-Y306 HydrophobicContact CB-CE2 4.22Å; K303-Y306 HydrophobicContact CG-CD2 4.37Å; K303-Y306 HydrophobicContact CG-CE2 4.41Å; K303-Y306 PolarHBondContact O-N 3.25Å; K304-Y306 VanDerWaalsContact C-N 3.29Å; K304-Y306 PolarHBondContact O-N 3.13Å; Y306-D308 VanDerWaalsContact C-N 3.3Å; Y306-D308 PolarHBondContact O-N 3.24Å; Y306-K309 WeakPolarHBondContact O-CB 3.48Å; Y306-K309 PolarHBondContact O-N 2.88Å; Y306-K309 VanDerWaalsContact O-N 3.16Å; Y306-M310 WeakPolarHBondContact O-CG 3.38Å; Y306-M310 PolarHBondContact O-N 2.97Å; Y306-M310 VanDerWaalsContact O-N 3.1Å
307I98.5Very high98Very high0 Ų053.2 Ų53.20%024%0.239CC..Hα-helixtrans-60.4-40.1175.6-63.2-65.6000111.1D141 L143 I283 I300 K303 K304 K309 M310 K311D141-I307 HydrophobicContact CB-CB 3.95Å; D141-I307 HydrophobicContact CB-CG1 4.18Å; D141-I307 HydrophobicContact CB-CG2 3.83Å; L143-I307 HydrophobicContact CB-CD1 4.44Å; L143-I307 HydrophobicContact CB-CG2 4.24Å; I283-I307 HydrophobicContact CD1-CD1 3.76Å; I283-I307 HydrophobicContact CD1-CG1 4.06Å; I300-I307 HydrophobicContact CB-CD1 4.2Å; I300-I307 HydrophobicContact CG2-CD1 3.56Å; K303-I307 WeakPolarHBondContact O-CG1 3.39Å; K303-I307 PolarHBondContact O-N 3.47Å; K304-I307 PolarHBondContact O-N 2.98Å; I307-K309 VanDerWaalsContact C-N 3.31Å; I307-K309 PolarHBondContact O-N 3.22Å; I307-M310 HydrophobicContact CD1-CE 4.17Å; I307-M310 HydrophobicContact CD1-SD 4.39Å; I307-M310 PolarHBondContact O-N 3.46Å; I307-K311 HydrophobicContact CG2-CD 4.12Å; I307-K311 HydrophobicContact CG2-CG 4.41Å; I307-K311 WeakPolarHBondContact O-CG 3.31Å; I307-K311 PolarHBondContact O-N 2.94Å
308D98.2Very high98Very high51 Ų5157.1 Ų57.127%0.27327%0.272SS..Hα-helixtrans-65.6-31.9177.3-79-17.9000112.8K304 Y306 K312K304-D308 VanDerWaalsContact CE-OD2 3.26Å; K304-D308 WeakPolarHBondContact CE-OD2 3.26Å; K304-D308 WeakPolarHBondContact CG-OD2 3.4Å; K304-D308 IonicContact NZ-OD1 2.79Å; K304-D308 PolarHBondContact NZ-OD1 2.83Å; K304-D308 IonicContact NZ-OD2 3.77Å; K304-D308 PolarHBondContact NZ-OD2 3.33Å; K304-D308 WeakPolarHBondContact O-CB 3.5Å; K304-D308 PolarHBondContact O-N 3.29Å; Y306-D308 VanDerWaalsContact C-N 3.3Å; Y306-D308 PolarHBondContact O-N 3.24Å; D308-K312 WeakPolarHBondContact O-CG 3.23Å; D308-K312 PolarHBondContact O-N 2.87Å
309K98.4Very high98Very high102 Ų10258.3 Ų58.344%0.44328%0.278SS..Hα-helixtrans-65.8-45.6170.9-68.4169.3-1751710110.5T158 L159 E305 Y306 I307 K311 K312 N313T158-K309 HydrophobicContact CG2-CB 3.67Å; L159-K309 HydrophobicContact CD2-CD 4.14Å; E305-K309 WeakPolarHBondContact O-CG 3.42Å; Y306-K309 WeakPolarHBondContact O-CB 3.48Å; Y306-K309 PolarHBondContact O-N 2.88Å; Y306-K309 VanDerWaalsContact O-N 3.16Å; I307-K309 VanDerWaalsContact C-N 3.31Å; I307-K309 PolarHBondContact O-N 3.22Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K309-K311 PolarHBondContact O-N 3.09Å; K309-K312 PolarHBondContact O-N 3.5Å; K309-N313 PolarHBondContact O-N 2.93Å
310M98.2Very high97.9Very high0 Ų061.4 Ų61.40%029%0.289CS..Hα-helixtrans-64.4-37.8179-64176.6-134.200112.3L143 L154 V155 T158 L159 I283 I300 Y306 I307 K312 N313L143-M310 HydrophobicContact CD2-CB 3.69Å; L154-M310 HydrophobicContact CD2-CB 4.28Å; L154-M310 HydrophobicContact CG-CB 4.33Å; L154-M310 HydrophobicContact CG-CG 4.46Å; V155-M310 HydrophobicContact CG1-CE 4.45Å; V155-M310 HydrophobicContact CG2-CE 3.92Å; V155-M310 HydrophobicContact CG2-SD 3.7Å; T158-M310 HydrophobicContact CG2-CG 3.91Å; L159-M310 HydrophobicContact CD1-CE 4.3Å; I283-M310 HydrophobicContact CD1-CE 3.44Å; I283-M310 VanDerWaalsContact CD1-CE 3.44Å; I283-M310 HydrophobicContact CG1-CE 3.79Å; I283-M310 HydrophobicContact CG2-CE 4.33Å; I300-M310 HydrophobicContact CD1-SD 4Å; I300-M310 HydrophobicContact CG2-CE 4.19Å; I300-M310 HydrophobicContact CG2-SD 3.93Å; Y306-M310 WeakPolarHBondContact O-CG 3.38Å; Y306-M310 PolarHBondContact O-N 2.97Å; Y306-M310 VanDerWaalsContact O-N 3.1Å; I307-M310 HydrophobicContact CD1-CE 4.17Å; I307-M310 HydrophobicContact CD1-SD 4.39Å; I307-M310 PolarHBondContact O-N 3.46Å; M310-K312 PolarHBondContact O-N 2.91Å; M310-N313 WeakPolarHBondContact O-CB 3.44Å; M310-N313 PolarHBondContact O-N 2.86Å; M310-N313 VanDerWaalsContact O-N 3.08Å
311K97.6Very high97.9Very high72 Ų7261.5 Ų61.531%0.31329%0.29SS..Hα-helixtrans-59-25.1173.8-76.1173-179.9171.20113.2D141 L143 I307 K309D141-K311 IonicContact OD1-NZ 2.74Å; D141-K311 PolarHBondContact OD1-NZ 3Å; D141-K311 IonicContact OD2-NZ 3.26Å; D141-K311 PolarHBondContact OD2-NZ 3.11Å; L143-K311 HydrophobicContact CD1-CG 4.06Å; L143-K311 HydrophobicContact CD2-CG 4.43Å; I307-K311 HydrophobicContact CG2-CD 4.12Å; I307-K311 HydrophobicContact CG2-CG 4.41Å; I307-K311 WeakPolarHBondContact O-CG 3.31Å; I307-K311 PolarHBondContact O-N 2.94Å; K309-K311 VanDerWaalsContact C-N 3.34Å; K309-K311 PolarHBondContact O-N 3.09Å
312K97.5Very high97.8Very high172 Ų17264.7 Ų64.775%0.74831%0.307SS*.Hα-helixtrans-94.1-13.5177.6-66171.8-175.4174.10113.4D308 K309 M310 Q314D308-K312 WeakPolarHBondContact O-CG 3.23Å; D308-K312 PolarHBondContact O-N 2.87Å; K309-K312 PolarHBondContact O-N 3.5Å; M310-K312 PolarHBondContact O-N 2.91Å; K312-Q314 PolarHBondContact O-N 2.89Å
313N97.3Very high97.8Very high41 Ų4168.7 Ų68.722%0.21932%0.323CS..  trans-70.3127.6179.1-172.5-28.2000110.1L154 T158 K309 M310 L315 L316L154-N313 HydrophobicContact CD1-CB 4.03Å; T158-N313 PolarHBondContact OG1-ND2 2.77Å; K309-N313 PolarHBondContact O-N 2.93Å; M310-N313 WeakPolarHBondContact O-CB 3.44Å; M310-N313 PolarHBondContact O-N 2.86Å; M310-N313 VanDerWaalsContact O-N 3.08Å; N313-L315 PolarHBondContact O-N 3.42Å; N313-L315 WeakPolarHBondContact OD1-CB 3.47Å; N313-L315 PolarHBondContact OD1-N 3.43Å; N313-L316 WeakPolarHBondContact O-CB 3.43Å; N313-L316 PolarHBondContact O-N 2.91Å; N313-L316 VanDerWaalsContact O-N 3.08Å
314Q96.3Very high97.7Very high162 Ų16269.5 Ų69.576%0.75733%0.329SS*.THydrogen-bonded Turntrans-61.1-27.9-179.3-68.7-62.2-21.300113.1K312 L316 R317K312-Q314 PolarHBondContact O-N 2.89Å; Q314-L316 PolarHBondContact O-N 3.35Å; Q314-R317 WeakPolarHBondContact O-CB 3.3Å; Q314-R317 PolarHBondContact O-N 2.75Å
315L96.9Very high97.7Very high55 Ų5566.1 Ų66.129%0.28832%0.316SS..Hα-helixtrans-59.4-31.5176.4-174.961.5000112.1L153 L154 N313 R317 A318 L319L153-L315 HydrophobicContact CD2-CD2 4.22Å; L153-L315 HydrophobicContact CG-CD2 4.03Å; L154-L315 HydrophobicContact CD1-CB 4.17Å; L154-L315 HydrophobicContact CD1-CD2 4.46Å; L154-L315 HydrophobicContact CD1-CG 4.48Å; N313-L315 PolarHBondContact O-N 3.42Å; N313-L315 WeakPolarHBondContact OD1-CB 3.47Å; N313-L315 PolarHBondContact OD1-N 3.43Å; L315-R317 PolarHBondContact O-N 2.84Å; L315-R317 VanDerWaalsContact O-N 3.12Å; L315-A318 HydrophobicContact CD1-CB 4.45Å; L315-A318 WeakPolarHBondContact O-CB 3.29Å; L315-A318 PolarHBondContact O-N 3.16Å; L315-L319 HydrophobicContact CD1-CD1 4.28Å; L315-L319 HydrophobicContact CD1-CG 4.26Å; L315-L319 HydrophobicContact CD2-CD1 3.91Å; L315-L319 HydrophobicContact CG-CD1 3.65Å; L315-L319 HydrophobicContact CG-CG 4.04Å; L315-L319 WeakPolarHBondContact O-CG 3.45Å; L315-L319 PolarHBondContact O-N 3.15Å; L315-L319 VanDerWaalsContact O-N 3.08Å
316L97.9Very high97.7Very high13 Ų1361.4 Ų61.47%0.06830%0.295CS..Hα-helixtrans-53.7-36175.617758.3000111.9Y126 L143 V145 L154 N313 Q314 A318 L319 R320Y126-L316 HydrophobicContact CE2-CD2 4.24Å; Y126-L316 VanDerWaalsContact OH-CD1 3.31Å; Y126-L316 WeakPolarHBondContact OH-CD1 3.48Å; L143-L316 HydrophobicContact CD1-CD1 4.02Å; L143-L316 HydrophobicContact CD1-CD2 3.93Å; L143-L316 HydrophobicContact CD2-CD1 3.92Å; L143-L316 HydrophobicContact CD2-CD2 4.06Å; L143-L316 HydrophobicContact CG-CD1 4.15Å; V145-L316 HydrophobicContact CG1-CD1 3.69Å; L154-L316 HydrophobicContact CD1-CB 4.38Å; L154-L316 HydrophobicContact CD2-CB 4.3Å; L154-L316 HydrophobicContact CD2-CD1 3.85Å; N313-L316 WeakPolarHBondContact O-CB 3.43Å; N313-L316 PolarHBondContact O-N 2.91Å; N313-L316 VanDerWaalsContact O-N 3.08Å; Q314-L316 PolarHBondContact O-N 3.35Å; L316-A318 VanDerWaalsContact C-N 3.26Å; L316-A318 PolarHBondContact O-N 3Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 PolarHBondContact O-N 3.31Å; L316-R320 WeakPolarHBondContact O-CA 3.42Å; L316-R320 WeakPolarHBondContact O-CB 3.27Å; L316-R320 PolarHBondContact O-N 3.38Å
317R97.2Very high97.7Very high149 Ų14960.5 Ų60.556%0.56229%0.292SS*.Hα-helixtrans-65.1-32.3-179.8179.256.7-174.180.64.5112.4Q314 L315Q314-R317 WeakPolarHBondContact O-CB 3.3Å; Q314-R317 PolarHBondContact O-N 2.75Å; L315-R317 PolarHBondContact O-N 2.84Å; L315-R317 VanDerWaalsContact O-N 3.12Å
318A97.9Very high97.7Very high82 Ų8260.6 Ų60.668%0.67829%0.292SS*.Hα-helixtrans-78.6-33.2175.600000112L315 L316L315-A318 HydrophobicContact CD1-CB 4.45Å; L315-A318 WeakPolarHBondContact O-CB 3.29Å; L315-A318 PolarHBondContact O-N 3.16Å; L316-A318 VanDerWaalsContact C-N 3.26Å; L316-A318 PolarHBondContact O-N 3Å
319L97.9Very high97.7Very high25 Ų2558.2 Ų58.213%0.13128%0.279CS..Hα-helixtrans-92.73.1-177.7-56.2179000114.1V145 N146 A150 L154 L315 L316 I321V145-L319 CarbonylContact C-O 3.59Å; V145-L319 VanDerWaalsContact CA-O 3.3Å; V145-L319 WeakPolarHBondContact CA-O 3.43Å; V145-L319 HydrophobicContact CB-CB 4.14Å; V145-L319 WeakPolarHBondContact CB-O 3.22Å; V145-L319 HydrophobicContact CG1-CB 4.21Å; N146-L319 PolarHBondContact N-O 3.41Å; A150-L319 HydrophobicContact CB-CB 4.26Å; A150-L319 HydrophobicContact CB-CD1 3.98Å; A150-L319 HydrophobicContact CB-CD2 3.82Å; A150-L319 HydrophobicContact CB-CG 4.23Å; A150-L319 WeakPolarHBondContact O-CD1 3.47Å; L154-L319 HydrophobicContact CB-CD1 4.03Å; L315-L319 HydrophobicContact CD1-CD1 4.28Å; L315-L319 HydrophobicContact CD1-CG 4.26Å; L315-L319 HydrophobicContact CD2-CD1 3.91Å; L315-L319 HydrophobicContact CG-CD1 3.65Å; L315-L319 HydrophobicContact CG-CG 4.04Å; L315-L319 WeakPolarHBondContact O-CG 3.45Å; L315-L319 PolarHBondContact O-N 3.15Å; L315-L319 VanDerWaalsContact O-N 3.08Å; L316-L319 CarbonylContact O-C 3.58Å; L316-L319 PolarHBondContact O-N 3.31Å; L319-I321 PolarHBondContact O-N 3.2Å
320R97.3Very high97.7Very high68 Ų6856.2 Ų56.226%0.25727%0.272SS..BIsolated β-bridgetrans-61.1130.5-175.3-178.4169.572.5159.210111.7E114 Y126 L316E114-R320 IonicContact OE1-CZ 2.78Å; E114-R320 IonicContact OE1-NH1 3.12Å; E114-R320 PolarHBondContact OE1-NH1 3.39Å; Y126-R320 WeakPolarHBondContact OH-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CA 3.42Å; L316-R320 WeakPolarHBondContact O-CB 3.27Å; L316-R320 PolarHBondContact O-N 3.38Å
321I97.7Very high97.7Very high1 Ų156.5 Ų56.51%0.00527%0.274CS..  trans-61.1148.6174.660.5177.8000112.8R125 Y126 L129 V144 V145 L319 T325 L326R125-I321 PolarHBondContact NH1-O 3.08Å; Y126-I321 HydrophobicContact CE1-CD1 4.46Å; Y126-I321 HydrophobicContact CE1-CG1 4.2Å; L129-I321 HydrophobicContact CD1-CD1 4.06Å; V144-I321 HydrophobicContact CB-CD1 3.97Å; V144-I321 HydrophobicContact CG1-CD1 3.87Å; V144-I321 HydrophobicContact CG1-CG2 3.85Å; V145-I321 WeakPolarHBondContact O-CG2 3.32Å; L319-I321 PolarHBondContact O-N 3.2Å; I321-T325 HydrophobicContact CB-CG2 4.46Å; I321-T325 HydrophobicContact CG2-CG2 4.4Å; I321-L326 HydrophobicContact CD1-CB 3.74Å; I321-L326 HydrophobicContact CD1-CD1 4.05Å; I321-L326 HydrophobicContact CD1-CG 4.1Å; I321-L326 HydrophobicContact CG1-CB 4.35Å
322D98Very high97.8Very high67 Ų6753.1 Ų53.136%0.35826%0.259SS..  trans-79.2176.4172.676.291000112.1M324 T325 L326D322-M324 WeakPolarHBondContact OD1-CA 3.35Å; D322-M324 VanDerWaalsContact OD1-CB 3.29Å; D322-M324 WeakPolarHBondContact OD1-CB 3.29Å; D322-M324 PolarHBondContact OD1-N 2.68Å; D322-T325 PolarHBondContact OD1-N 2.82Å; D322-T325 VanDerWaalsContact OD2-CB 3.24Å; D322-T325 WeakPolarHBondContact OD2-CB 3.45Å; D322-T325 PolarHBondContact OD2-OG1 3.15Å; D322-L326 WeakPolarHBondContact O-CB 3.29Å; D322-L326 PolarHBondContact O-N 3.41Å
323K97Very high97.8Very high88 Ų8845.1 Ų45.138%0.38323%0.225SC..Hα-helixtrans-71.7-34.6-175.169.6167.468.7178.90113.4L113 S327L113-K323 HydrophobicContact CD1-CB 4.1Å; L113-K323 HydrophobicContact CD2-CB 3.74Å; K323-S327 WeakPolarHBondContact O-CB 3.26Å; K323-S327 PolarHBondContact O-N 3.48Å
324M97.9Very high97.9Very high92 Ų9245.2 Ų45.245%0.45323%0.229SC..Hα-helixtrans-72.8-47.1-175.6-55.8179.8104.100108.4L103 D322 L326 S327 A328L103-M324 HydrophobicContact CD2-CB 3.81Å; L103-M324 HydrophobicContact CD2-CG 4.49Å; L103-M324 WeakPolarHBondContact CD2-O 3.48Å; D322-M324 WeakPolarHBondContact OD1-CA 3.35Å; D322-M324 VanDerWaalsContact OD1-CB 3.29Å; D322-M324 WeakPolarHBondContact OD1-CB 3.29Å; D322-M324 PolarHBondContact OD1-N 2.68Å; M324-L326 PolarHBondContact O-N 2.9Å; M324-S327 PolarHBondContact O-N 3.44Å; M324-A328 VanDerWaalsContact O-CB 3.26Å; M324-A328 WeakPolarHBondContact O-CB 3.49Å; M324-A328 PolarHBondContact O-N 3.38Å
325T98Very high98Very high21 Ų2138 Ų3813%0.12920%0.195CC..Hα-helixtrans-58.5-46.2174.7-60.50000112P295 Q296 A297 I321 D322 S327 A328 L329P295-T325 HydrophobicContact CB-CG2 4.3Å; P295-T325 HydrophobicContact CG-CG2 4.14Å; Q296-T325 WeakPolarHBondContact O-CG2 3.32Å; A297-T325 HydrophobicContact CB-CG2 4.14Å; I321-T325 HydrophobicContact CB-CG2 4.46Å; I321-T325 HydrophobicContact CG2-CG2 4.4Å; D322-T325 PolarHBondContact OD1-N 2.82Å; D322-T325 VanDerWaalsContact OD2-CB 3.24Å; D322-T325 WeakPolarHBondContact OD2-CB 3.45Å; D322-T325 PolarHBondContact OD2-OG1 3.15Å; T325-S327 PolarHBondContact O-N 2.94Å; T325-A328 PolarHBondContact O-N 3.08Å; T325-L329 WeakPolarHBondContact O-CB 3.46Å; T325-L329 PolarHBondContact O-N 3.4Å
326L98.2Very high98Very high6 Ų636 Ų363%0.03118%0.184CC..Hα-helixtrans-58.2-50177.4-177.2154.4000111.8L113 R125 H128 L129 I321 D322 M324 L329 E330L113-L326 HydrophobicContact CD1-CD1 3.98Å; L113-L326 HydrophobicContact CD1-CD2 4.44Å; R125-L326 HydrophobicContact CB-CD1 3.89Å; R125-L326 HydrophobicContact CG-CD1 4.17Å; R125-L326 WeakPolarHBondContact O-CD1 3.38Å; H128-L326 HydrophobicContact CB-CD2 4.14Å; L129-L326 HydrophobicContact CD1-CG 4.21Å; L129-L326 HydrophobicContact CG-CG 4.47Å; I321-L326 HydrophobicContact CD1-CB 3.74Å; I321-L326 HydrophobicContact CD1-CD1 4.05Å; I321-L326 HydrophobicContact CD1-CG 4.1Å; I321-L326 HydrophobicContact CG1-CB 4.35Å; D322-L326 WeakPolarHBondContact O-CB 3.29Å; D322-L326 PolarHBondContact O-N 3.41Å; M324-L326 PolarHBondContact O-N 2.9Å; L326-L329 PolarHBondContact O-N 3.25Å; L326-E330 PolarHBondContact O-N 3.4Å
327S98Very high98Very high4 Ų439.3 Ų39.33%0.02820%0.201CC..Hα-helixtrans-62.2-46.1-179.1174.80000112.2Q102 T106 K323 M324 T325 L329 E330 A331Q102-S327 WeakPolarHBondContact CG-OG 3.48Å; Q102-S327 PolarHBondContact O-OG 3.21Å; T106-S327 WeakPolarHBondContact OG1-CB 3.49Å; T106-S327 PolarHBondContact OG1-OG 2.94Å; K323-S327 WeakPolarHBondContact O-CB 3.26Å; K323-S327 PolarHBondContact O-N 3.48Å; M324-S327 PolarHBondContact O-N 3.44Å; T325-S327 PolarHBondContact O-N 2.94Å; S327-L329 PolarHBondContact O-N 3.04Å; S327-E330 PolarHBondContact O-N 2.96Å; S327-A331 PolarHBondContact O-N 3.24Å; S327-A331 VanDerWaalsContact O-N 3.12Å
328A98.5Very high98Very high2 Ų236.5 Ų36.52%0.01720%0.197CC..Hα-helixtrans-65.5-37.4176.500000113.1L95 T99 L103 P295 M324 T325 T332L95-A328 HydrophobicContact CD1-CB 4.48Å; T99-A328 HydrophobicContact CG2-CB 3.35Å; L103-A328 HydrophobicContact CD1-CB 4.32Å; L103-A328 HydrophobicContact CD2-CB 4.22Å; L103-A328 HydrophobicContact CG-CB 4.32Å; P295-A328 HydrophobicContact CB-CB 4.04Å; P295-A328 HydrophobicContact CG-CB 3.74Å; M324-A328 VanDerWaalsContact O-CB 3.26Å; M324-A328 WeakPolarHBondContact O-CB 3.49Å; M324-A328 PolarHBondContact O-N 3.38Å; T325-A328 PolarHBondContact O-N 3.08Å; A328-T332 WeakPolarHBondContact O-CB 3.36Å; A328-T332 PolarHBondContact O-N 3.43Å; A328-T332 PolarHBondContact O-OG1 3.37Å
329L98.5Very high97.8Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-69.2-41.7178.5-176.260.8000111.2L129 V144 L292 P295 A297 I299 T325 L326 S327 T332 L333L129-L329 HydrophobicContact CD1-CD2 3.92Å; L129-L329 HydrophobicContact CD2-CB 4.41Å; L129-L329 HydrophobicContact CD2-CD2 4.46Å; L129-L329 HydrophobicContact CD2-CG 4.26Å; V144-L329 HydrophobicContact CG1-CD2 3.79Å; V144-L329 HydrophobicContact CG2-CD2 4.35Å; L292-L329 HydrophobicContact CD2-CD1 3.67Å; P295-L329 HydrophobicContact CG-CB 3.91Å; A297-L329 HydrophobicContact CB-CD2 4.03Å; I299-L329 HydrophobicContact CG1-CD2 4.19Å; T325-L329 WeakPolarHBondContact O-CB 3.46Å; T325-L329 PolarHBondContact O-N 3.4Å; L326-L329 PolarHBondContact O-N 3.25Å; S327-L329 PolarHBondContact O-N 3.04Å; L329-T332 PolarHBondContact O-N 3.01Å; L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CG 4.16Å; L329-L333 HydrophobicContact CG-CD1 3.81Å; L329-L333 HydrophobicContact CG-CG 4.38Å; L329-L333 WeakPolarHBondContact O-CB 3.18Å; L329-L333 WeakPolarHBondContact O-CD1 3.1Å; L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.09Å
330E98.2Very high97.7Very high61 Ų6144.7 Ų44.729%0.28522%0.219SC..Hα-helixtrans-60.1-48.2175-174179.7-155.300111.3L129 L326 S327 T332 L333 S334L129-E330 HydrophobicContact CD2-CB 3.72Å; L129-E330 HydrophobicContact CD2-CG 4.43Å; L326-E330 PolarHBondContact O-N 3.4Å; S327-E330 PolarHBondContact O-N 2.96Å; E330-T332 VanDerWaalsContact C-N 3.34Å; E330-T332 PolarHBondContact O-N 2.94Å; E330-L333 PolarHBondContact O-N 3.4Å; E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 3.13Å
331A98.5Very high97.7Very high5 Ų544.8 Ų44.84%0.04122%0.222CC..Hα-helixtrans-59.2-44.717600000111.9K98 Q102 S327 S334K98-A331 HydrophobicContact CG-CB 4.32Å; Q102-A331 HydrophobicContact CB-CB 3.81Å; Q102-A331 HydrophobicContact CG-CB 4.03Å; S327-A331 PolarHBondContact O-N 3.24Å; S327-A331 VanDerWaalsContact O-N 3.12Å; A331-S334 WeakPolarHBondContact O-CB 3.32Å; A331-S334 PolarHBondContact O-N 2.87Å; A331-S334 PolarHBondContact O-OG 3.43Å
332T98.6Very high97.7Very high1 Ų144.7 Ų44.71%0.00622%0.221CC..Hα-helixtrans-60.8-52.1177.8-600000111T99 A328 L329 E330 S334 L335 Y336T99-T332 PolarHBondContact OG1-OG1 3.35Å; A328-T332 WeakPolarHBondContact O-CB 3.36Å; A328-T332 PolarHBondContact O-N 3.43Å; A328-T332 PolarHBondContact O-OG1 3.37Å; L329-T332 PolarHBondContact O-N 3.01Å; E330-T332 VanDerWaalsContact C-N 3.34Å; E330-T332 PolarHBondContact O-N 2.94Å; T332-S334 PolarHBondContact O-N 2.94Å; T332-L335 WeakPolarHBondContact O-CB 3.39Å; T332-L335 PolarHBondContact O-N 3.33Å; T332-L335 VanDerWaalsContact O-N 3.08Å; T332-Y336 HydrophobicContact CG2-CE2 4.11Å; T332-Y336 WeakPolarHBondContact O-CD2 3.19Å
333L98.4Very high97.5Very high5 Ų543.6 Ų43.63%0.02622%0.215CC..Hα-helixtrans-61.9-29.8179.6-68.7165.3000112.1L129 I132 V133 L136 L259 L292 L329 E330 L335 Y336L129-L333 HydrophobicContact CD2-CD1 4.17Å; I132-L333 HydrophobicContact CD1-CB 3.75Å; I132-L333 WeakPolarHBondContact CD1-O 3.33Å; I132-L333 HydrophobicContact CG1-CB 4.04Å; I132-L333 HydrophobicContact CG2-CB 4.31Å; I132-L333 HydrophobicContact CG2-CD1 4.22Å; V133-L333 HydrophobicContact CG2-CD1 3.43Å; V133-L333 VanDerWaalsContact CG2-CD1 3.43Å; L136-L333 HydrophobicContact CD1-CB 3.97Å; L136-L333 HydrophobicContact CD1-CD2 3.68Å; L136-L333 HydrophobicContact CD1-CG 4.41Å; L259-L333 HydrophobicContact CD1-CD2 3.92Å; L292-L333 HydrophobicContact CD1-CD2 4.01Å; L292-L333 HydrophobicContact CD2-CD2 4.49Å; L329-L333 HydrophobicContact CD1-CD1 4.06Å; L329-L333 HydrophobicContact CD1-CG 4.16Å; L329-L333 HydrophobicContact CG-CD1 3.81Å; L329-L333 HydrophobicContact CG-CG 4.38Å; L329-L333 WeakPolarHBondContact O-CB 3.18Å; L329-L333 WeakPolarHBondContact O-CD1 3.1Å; L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.09Å; E330-L333 PolarHBondContact O-N 3.4Å; L333-L335 PolarHBondContact O-N 3.06Å; L333-Y336 WeakPolarHBondContact O-CB 3.49Å; L333-Y336 PolarHBondContact O-N 2.86Å; L333-Y336 VanDerWaalsContact O-N 3.1Å
334S98.2Very high97.5Very high43 Ų4346.2 Ų46.230%0.30123%0.227SC..Hα-helixtrans-60.7-33.2175.682.20000113.1I132 E330 A331 T332 Y336 L337I132-S334 VanDerWaalsContact CD1-CA 3.44Å; I132-S334 VanDerWaalsContact CD1-N 3.28Å; E330-S334 WeakPolarHBondContact O-CB 3.36Å; E330-S334 PolarHBondContact O-N 3.13Å; A331-S334 WeakPolarHBondContact O-CB 3.32Å; A331-S334 PolarHBondContact O-N 2.87Å; A331-S334 PolarHBondContact O-OG 3.43Å; T332-S334 PolarHBondContact O-N 2.94Å; S334-Y336 VanDerWaalsContact C-N 3.32Å; S334-L337 WeakPolarHBondContact O-CB 3.33Å; S334-L337 PolarHBondContact O-N 3.04Å
335L98.3Very high97.4Very high10 Ų1043.3 Ų43.35%0.05222%0.215CC..Hα-helixtrans-68.7-32.9176-59171.8000111.4K98 T332 L333 L337 D338 E341 A342 V346K98-L335 HydrophobicContact CB-CD1 4.29Å; K98-L335 HydrophobicContact CB-CD2 4.17Å; K98-L335 HydrophobicContact CG-CD2 4.16Å; T332-L335 WeakPolarHBondContact O-CB 3.39Å; T332-L335 PolarHBondContact O-N 3.33Å; T332-L335 VanDerWaalsContact O-N 3.08Å; L333-L335 PolarHBondContact O-N 3.06Å; L335-L337 PolarHBondContact O-N 3.42Å; L335-D338 PolarHBondContact O-N 3.33Å; L335-E341 HydrophobicContact CD2-CG 3.97Å; L335-A342 PolarHBondContact O-N 3.49Å; L335-V346 HydrophobicContact CB-CG2 4.25Å; L335-V346 HydrophobicContact CD1-CG2 3.85Å
336Y98.1Very high97.4Very high12 Ų1242.4 Ų42.45%0.04721%0.21CC..THydrogen-bonded Turntrans-70.4-7.2177.1-77.4-89.7000114.5L136 L259 M260 L291 L292 T332 L333 S334 D338 A342 V346 L349L136-Y336 VanDerWaalsContact CD2-O 3.3Å; L136-Y336 WeakPolarHBondContact CD2-O 3.46Å; L259-Y336 HydrophobicContact CB-CD1 3.92Å; L259-Y336 HydrophobicContact CB-CE1 3.96Å; L259-Y336 HydrophobicContact CD1-CD1 4.06Å; L259-Y336 HydrophobicContact CD1-CD2 4.41Å; L259-Y336 HydrophobicContact CD1-CE1 4.41Å; L259-Y336 HydrophobicContact CD1-CG 4.06Å; M260-Y336 HydrophobicContact SD-CE1 4.42Å; L291-Y336 PolarHBondContact O-OH 3.37Å; L292-Y336 VanDerWaalsContact C-OH 3.28Å; L292-Y336 WeakPolarHBondContact CA-OH 3.33Å; L292-Y336 HydrophobicContact CD1-CD2 4.29Å; L292-Y336 HydrophobicContact CD1-CE2 3.83Å; L292-Y336 HydrophobicContact CG-CE2 4.49Å; L292-Y336 WeakPolarHBondContact O-CE2 3.31Å; L292-Y336 PolarHBondContact O-OH 2.67Å; T332-Y336 HydrophobicContact CG2-CE2 4.11Å; T332-Y336 WeakPolarHBondContact O-CD2 3.19Å; L333-Y336 WeakPolarHBondContact O-CB 3.49Å; L333-Y336 PolarHBondContact O-N 2.86Å; L333-Y336 VanDerWaalsContact O-N 3.1Å; S334-Y336 VanDerWaalsContact C-N 3.32Å; Y336-D338 PolarHBondContact O-N 3.41Å; Y336-A342 HydrophobicContact CD1-CB 3.98Å; Y336-A342 HydrophobicContact CD2-CB 4.47Å; Y336-A342 HydrophobicContact CE1-CB 4.21Å; Y336-A342 HydrophobicContact CG-CB 4.13Å; Y336-V346 HydrophobicContact CE2-CG2 4.02Å; Y336-L349 HydrophobicContact CE1-CD1 3.92Å; Y336-L349 WeakPolarHBondContact OH-CD1 3.33Å
337L97.1Very high97.4Very high84 Ų8442.9 Ų42.944%0.4421%0.213SC..THydrogen-bonded Turntrans-67.1-20.6172.5-66.3178.6000112.9I132 K135 L136 S334 L335I132-L337 HydrophobicContact CD1-CD1 4.15Å; I132-L337 HydrophobicContact CD1-CD2 4.46Å; I132-L337 HydrophobicContact CD1-CG 4.2Å; I132-L337 HydrophobicContact CG1-CD2 4.2Å; I132-L337 HydrophobicContact CG1-CG 4.47Å; K135-L337 HydrophobicContact CD-CD2 3.71Å; K135-L337 HydrophobicContact CG-CD2 4.3Å; L136-L337 HydrophobicContact CD2-CD2 4.1Å; L136-L337 HydrophobicContact CG-CD2 4.46Å; S334-L337 WeakPolarHBondContact O-CB 3.33Å; S334-L337 PolarHBondContact O-N 3.04Å; L335-L337 PolarHBondContact O-N 3.42Å
338D96.9Very high97.3Very high89 Ų8942.8 Ų42.848%0.47621%0.212SC..SBendtrans-130.7111.1167.3178.7-4.1000108.3L335 Y336 K340 E341 A342L335-D338 PolarHBondContact O-N 3.33Å; Y336-D338 PolarHBondContact O-N 3.41Å; D338-K340 PolarHBondContact O-N 3.38Å; D338-K340 VanDerWaalsContact O-N 3.11Å; D338-K340 WeakPolarHBondContact OD1-CB 3.25Å; D338-K340 PolarHBondContact OD1-N 2.64Å; D338-E341 HydrophobicContact CB-CB 3.97Å; D338-E341 WeakPolarHBondContact O-CA 3.33Å; D338-E341 WeakPolarHBondContact O-CB 3.44Å; D338-E341 PolarHBondContact O-N 3.06Å; D338-A342 PolarHBondContact O-N 3.34Å
339E94.4Very high97.2Very high112 Ų11242.7 Ų42.752%0.52321%0.212SC..Hα-helixtrans-55.4-32.4-178.5-67.5-176.617200113M260 E341 A342 L343M260-E339 HydrophobicContact CE-CB 4.03Å; M260-E339 HydrophobicContact CE-CG 4.34Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E339-A342 PolarHBondContact O-N 3.01Å; E339-L343 VanDerWaalsContact O-CG 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.27Å; E339-L343 PolarHBondContact O-N 2.85Å
340K95.3Very high97.1Very high168 Ų16847.3 Ų47.373%0.7323%0.233SC*.Hα-helixtrans-67.2-39.2176.8-65.7-178179.8178.80111.4D338 K344D338-K340 PolarHBondContact O-N 3.38Å; D338-K340 VanDerWaalsContact O-N 3.11Å; D338-K340 WeakPolarHBondContact OD1-CB 3.25Å; D338-K340 PolarHBondContact OD1-N 2.64Å; K340-K344 VanDerWaalsContact O-CB 3.3Å; K340-K344 WeakPolarHBondContact O-CB 3.5Å; K340-K344 PolarHBondContact O-N 2.9Å; K340-K344 VanDerWaalsContact O-N 3.09Å
341E97.5Very high97.1Very high69 Ų6946 Ų4632%0.32223%0.228SC..Hα-helixtrans-70.4-39.9176.4-17556.6-152.500110.9L335 D338 E339 L343 K344 S345L335-E341 HydrophobicContact CD2-CG 3.97Å; D338-E341 HydrophobicContact CB-CB 3.97Å; D338-E341 WeakPolarHBondContact O-CA 3.33Å; D338-E341 WeakPolarHBondContact O-CB 3.44Å; D338-E341 PolarHBondContact O-N 3.06Å; E339-E341 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.89Å; E341-K344 PolarHBondContact O-N 3.42Å; E341-S345 VanDerWaalsContact O-CB 3.27Å; E341-S345 WeakPolarHBondContact O-CB 3.45Å; E341-S345 PolarHBondContact O-N 3.08Å; E341-S345 PolarHBondContact O-OG 3.38Å; E341-S345 WeakPolarHBondContact OE1-CB 3.41Å; E341-S345 PolarHBondContact OE1-OG 3.15Å
342A97.2Very high96.9Very high0 Ų045.9 Ų45.90%023%0.226CC..Hα-helixtrans-58-50.2173.700000112L335 Y336 D338 E339 K344 S345 V346 L349L335-A342 PolarHBondContact O-N 3.49Å; Y336-A342 HydrophobicContact CD1-CB 3.98Å; Y336-A342 HydrophobicContact CD2-CB 4.47Å; Y336-A342 HydrophobicContact CE1-CB 4.21Å; Y336-A342 HydrophobicContact CG-CB 4.13Å; D338-A342 PolarHBondContact O-N 3.34Å; E339-A342 PolarHBondContact O-N 3.01Å; A342-K344 PolarHBondContact O-N 2.98Å; A342-S345 PolarHBondContact O-N 3.36Å; A342-V346 HydrophobicContact CB-CG2 4.46Å; A342-V346 VanDerWaalsContact O-CB 3.24Å; A342-V346 WeakPolarHBondContact O-CB 3.45Å; A342-V346 WeakPolarHBondContact O-CG2 3.49Å; A342-V346 PolarHBondContact O-N 3.03Å; A342-L349 HydrophobicContact CB-CD1 3.97Å
343L95.4Very high96.7Very high43 Ų4347.2 Ų47.223%0.22524%0.24CC..Hα-helixtrans-59.7-36.8176.9-71.8165.5000112.6M260 F265 E339 E341 L349 Q350M260-L343 HydrophobicContact CE-CD1 3.85Å; M260-L343 HydrophobicContact CE-CD2 3.83Å; M260-L343 HydrophobicContact CE-CG 3.76Å; M260-L343 HydrophobicContact SD-CD2 4.09Å; M260-L343 HydrophobicContact SD-CG 4.18Å; F265-L343 HydrophobicContact CE1-CD1 4.3Å; F265-L343 HydrophobicContact CE1-CD2 3.94Å; F265-L343 HydrophobicContact CE2-CD1 4.34Å; F265-L343 HydrophobicContact CE2-CD2 3.63Å; F265-L343 HydrophobicContact CZ-CD1 3.51Å; F265-L343 HydrophobicContact CZ-CD2 3.27Å; F265-L343 HydrophobicContact CZ-CG 4.02Å; E339-L343 VanDerWaalsContact O-CG 3.27Å; E339-L343 WeakPolarHBondContact O-CG 3.27Å; E339-L343 PolarHBondContact O-N 2.85Å; E341-L343 PolarHBondContact O-N 2.89Å; L343-L349 HydrophobicContact CD2-CB 4.3Å; L343-Q350 VanDerWaalsContact O-CG 3.23Å; L343-Q350 WeakPolarHBondContact O-CG 3.36Å
344K95.6Very high96.6Very high144 Ų14448.7 Ų48.763%0.62625%0.247SC*.Hα-helixtrans-77.4-31-179.7-175.7-174.2170.7-161.50112.9K340 E341 A342 Q350K340-K344 VanDerWaalsContact O-CB 3.3Å; K340-K344 WeakPolarHBondContact O-CB 3.5Å; K340-K344 PolarHBondContact O-N 2.9Å; K340-K344 VanDerWaalsContact O-N 3.09Å; E341-K344 PolarHBondContact O-N 3.42Å; A342-K344 PolarHBondContact O-N 2.98Å; K344-Q350 VanDerWaalsContact O-CD 3.29Å; K344-Q350 WeakPolarHBondContact O-CG 3.46Å; K344-Q350 PolarHBondContact O-NE2 2.98Å
345S97.3Very high96.4Very high31 Ų3149 Ų4922%0.21725%0.249CC..Hα-helixtrans-119.2-16.7-164.8-65.30000114.2S96 E341 A342 P347S96-S345 WeakPolarHBondContact CB-O 3.41Å; E341-S345 VanDerWaalsContact O-CB 3.27Å; E341-S345 WeakPolarHBondContact O-CB 3.45Å; E341-S345 PolarHBondContact O-N 3.08Å; E341-S345 PolarHBondContact O-OG 3.38Å; E341-S345 WeakPolarHBondContact OE1-CB 3.41Å; E341-S345 PolarHBondContact OE1-OG 3.15Å; A342-S345 PolarHBondContact O-N 3.36Å; S345-P347 WeakPolarHBondContact O-CD 3.42Å
346V98Very high96.3Very high1 Ų151.7 Ų51.71%0.00626%0.261CS..  trans-87.8114.4174.6179.60000109.1L335 Y336 A342 T348 L349 Q350L335-V346 HydrophobicContact CB-CG2 4.25Å; L335-V346 HydrophobicContact CD1-CG2 3.85Å; Y336-V346 HydrophobicContact CE2-CG2 4.02Å; A342-V346 HydrophobicContact CB-CG2 4.46Å; A342-V346 VanDerWaalsContact O-CB 3.24Å; A342-V346 WeakPolarHBondContact O-CB 3.45Å; A342-V346 WeakPolarHBondContact O-CG2 3.49Å; A342-V346 PolarHBondContact O-N 3.03Å; V346-T348 VanDerWaalsContact C-N 3.27Å; V346-T348 PolarHBondContact O-N 3.06Å; V346-T348 VanDerWaalsContact O-N 3.16Å; V346-L349 HydrophobicContact CB-CB 4.19Å; V346-L349 HydrophobicContact CB-CD1 4.08Å; V346-L349 HydrophobicContact CB-CG 4.03Å; V346-L349 HydrophobicContact CG1-CB 4.45Å; V346-L349 HydrophobicContact CG1-CD1 4.42Å; V346-L349 HydrophobicContact CG1-CG 4.01Å; V346-L349 HydrophobicContact CG2-CD1 4.44Å; V346-L349 PolarHBondContact O-N 3.42Å; V346-Q350 PolarHBondContact O-N 2.79Å
347P97.4Very high96.3Very high17 Ų1758.6 Ų58.611%0.1129%0.294CS..Hα-helixtrans-57.5-37-172.9-28.536.3000114.2S94 S345 L349 Q350 M351S94-P347 WeakPolarHBondContact O-CG 3.27Å; S345-P347 WeakPolarHBondContact O-CD 3.42Å; P347-L349 VanDerWaalsContact C-N 3.33Å; P347-L349 PolarHBondContact O-N 2.92Å; P347-Q350 PolarHBondContact O-N 3.22Å; P347-M351 HydrophobicContact CB-CE 4.02Å; P347-M351 WeakPolarHBondContact O-CB 3.27Å; P347-M351 VanDerWaalsContact O-CG 3.26Å; P347-M351 WeakPolarHBondContact O-CG 3.23Å; P347-M351 PolarHBondContact O-N 3.3Å
348T96.8Very high96.3Very high1 Ų158.6 Ų58.61%0.00630%0.295CS..Hα-helixtrans-61.2-43.2176.7-63.20000111.4V85 I86 S93 V346 I352V85-T348 HydrophobicContact CG1-CG2 3.98Å; I86-T348 HydrophobicContact CD1-CG2 4.2Å; I86-T348 HydrophobicContact CG1-CG2 4.02Å; S93-T348 VanDerWaalsContact CB-OG1 3.28Å; S93-T348 WeakPolarHBondContact CB-OG1 3.42Å; S93-T348 PolarHBondContact OG-OG1 3.32Å; V346-T348 VanDerWaalsContact C-N 3.27Å; V346-T348 PolarHBondContact O-N 3.06Å; V346-T348 VanDerWaalsContact O-N 3.16Å; T348-I352 HydrophobicContact CG2-CD1 4.06Å; T348-I352 WeakPolarHBondContact O-CG1 3.47Å; T348-I352 PolarHBondContact O-N 3.18Å; T348-I352 VanDerWaalsContact O-N 3.16Å
349L96.4Very high96.3Very high1 Ų154.3 Ų54.31%0.00527%0.272CS..Hα-helixtrans-71.9-42.2179.8-63.8-173.6000111.8M260 M262 Y336 A342 L343 V346 P347 M351 I352 G353M260-L349 HydrophobicContact SD-CD1 3.81Å; M262-L349 HydrophobicContact CE-CD2 4Å; M262-L349 HydrophobicContact SD-CD2 4.21Å; Y336-L349 HydrophobicContact CE1-CD1 3.92Å; Y336-L349 WeakPolarHBondContact OH-CD1 3.33Å; A342-L349 HydrophobicContact CB-CD1 3.97Å; L343-L349 HydrophobicContact CD2-CB 4.3Å; V346-L349 HydrophobicContact CB-CB 4.19Å; V346-L349 HydrophobicContact CB-CD1 4.08Å; V346-L349 HydrophobicContact CB-CG 4.03Å; V346-L349 HydrophobicContact CG1-CB 4.45Å; V346-L349 HydrophobicContact CG1-CD1 4.42Å; V346-L349 HydrophobicContact CG1-CG 4.01Å; V346-L349 HydrophobicContact CG2-CD1 4.44Å; V346-L349 PolarHBondContact O-N 3.42Å; P347-L349 VanDerWaalsContact C-N 3.33Å; P347-L349 PolarHBondContact O-N 2.92Å; L349-M351 VanDerWaalsContact C-N 3.29Å; L349-M351 PolarHBondContact O-N 3.49Å; L349-I352 PolarHBondContact O-N 3.24Å; L349-G353 PolarHBondContact O-N 2.83Å
350Q96.1Very high96.5Very high96 Ų9652.5 Ų52.545%0.44927%0.265SS..Hα-helixtrans-55.1-46.4173.1-73.3-177.2-32.900111.2L343 K344 V346 P347 G353 Q354L343-Q350 VanDerWaalsContact O-CG 3.23Å; L343-Q350 WeakPolarHBondContact O-CG 3.36Å; K344-Q350 VanDerWaalsContact O-CD 3.29Å; K344-Q350 WeakPolarHBondContact O-CG 3.46Å; K344-Q350 PolarHBondContact O-NE2 2.98Å; V346-Q350 PolarHBondContact O-N 2.79Å; P347-Q350 PolarHBondContact O-N 3.22Å; Q350-G353 PolarHBondContact O-N 2.7Å; Q350-Q354 PolarHBondContact O-N 2.61Å; Q350-Q354 VanDerWaalsContact O-N 3.15Å
351M96.8Very high96.7Very high34 Ų3446.5 Ų46.517%0.16725%0.251CS..Hα-helixtrans-61.2-48.7-179.6-72.6179.3-14000111.1V85 P347 L349 G353 Q354 R439 T440V85-M351 HydrophobicContact CB-CB 4.42Å; V85-M351 HydrophobicContact CG1-CB 3.74Å; V85-M351 HydrophobicContact CG1-CG 4.48Å; V85-M351 HydrophobicContact CG1-SD 3.99Å; V85-M351 HydrophobicContact CG2-CB 3.83Å; P347-M351 HydrophobicContact CB-CE 4.02Å; P347-M351 WeakPolarHBondContact O-CB 3.27Å; P347-M351 VanDerWaalsContact O-CG 3.26Å; P347-M351 WeakPolarHBondContact O-CG 3.23Å; P347-M351 PolarHBondContact O-N 3.3Å; L349-M351 VanDerWaalsContact C-N 3.29Å; L349-M351 PolarHBondContact O-N 3.49Å; M351-G353 VanDerWaalsContact C-N 3.33Å; M351-G353 PolarHBondContact O-N 2.96Å; M351-Q354 PolarHBondContact O-NE2 2.96Å; M351-R439 WeakPolarHBondContact O-CD 3.49Å; M351-R439 PolarHBondContact O-NH1 3.03Å; M351-T440 HydrophobicContact SD-CG2 3.93Å
352I95.6Very high96.7Very high2 Ų244.5 Ų44.51%0.0124%0.241CC..Hα-helixtrans-62.3-40.4177.7-67.2167.5000111.4V85 M262 L267 L291 T348 L349 Q354 I387 L397V85-I352 HydrophobicContact CG1-CG1 4.2Å; V85-I352 HydrophobicContact CG2-CG1 4.31Å; M262-I352 HydrophobicContact CE-CB 4.26Å; M262-I352 HydrophobicContact CE-CD1 4.48Å; M262-I352 HydrophobicContact CE-CG2 3.58Å; L267-I352 HydrophobicContact CD1-CG2 3.94Å; L291-I352 HydrophobicContact CD2-CD1 3.95Å; T348-I352 HydrophobicContact CG2-CD1 4.06Å; T348-I352 WeakPolarHBondContact O-CG1 3.47Å; T348-I352 PolarHBondContact O-N 3.18Å; T348-I352 VanDerWaalsContact O-N 3.16Å; L349-I352 PolarHBondContact O-N 3.24Å; I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 3.28Å; I352-I387 HydrophobicContact CD1-CG2 4.11Å; I352-L397 HydrophobicContact CG2-CD1 4.35Å
353G94.2Very high96.8Very high30 Ų3044.5 Ų44.531%0.30924%0.241SC..Hα-helixtrans-77.6-9.9-174.800000115.7L349 Q350 M351 S355L349-G353 PolarHBondContact O-N 2.83Å; Q350-G353 PolarHBondContact O-N 2.7Å; M351-G353 VanDerWaalsContact C-N 3.33Å; M351-G353 PolarHBondContact O-N 2.96Å; G353-S355 PolarHBondContact O-N 2.61Å
354Q95.4Very high96.9Very high36 Ų3644.6 Ų44.617%0.16825%0.248CC..  trans-58.2130.4175.5-85.4170.9105.800111Q350 M351 I352 D358 K362 R439Q350-Q354 PolarHBondContact O-N 2.61Å; Q350-Q354 VanDerWaalsContact O-N 3.15Å; M351-Q354 PolarHBondContact O-NE2 2.96Å; I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 3.28Å; Q354-D358 HydrophobicContact CB-CB 4.36Å; Q354-D358 HydrophobicContact CG-CB 4.35Å; Q354-K362 VanDerWaalsContact OE1-CD 3.3Å; Q354-R439 VanDerWaalsContact CB-NH1 3.33Å; Q354-R439 PolarHBondContact NE2-O 3.44Å; Q354-R439 PolarHBondContact O-NH1 3.14Å
355S95Very high97.1Very high49 Ų4942.2 Ų42.234%0.34324%0.24SC..  trans-73.4167.4173.270.90000111.8G353 E357 D358 C359G353-S355 PolarHBondContact O-N 2.61Å; S355-E357 PolarHBondContact O-N 3.29Å; S355-E357 PolarHBondContact OG-N 3.37Å; S355-D358 WeakPolarHBondContact CB-OD2 3.34Å; S355-D358 PolarHBondContact N-OD2 2.97Å; S355-D358 PolarHBondContact O-N 2.78Å; S355-D358 PolarHBondContact OG-N 2.96Å; S355-D358 VanDerWaalsContact OG-N 3.08Å; S355-D358 PolarHBondContact OG-OD2 3.46Å; S355-C359 PolarHBondContact O-N 3.01Å; S355-C359 PolarHBondContact O-SG 3.31Å
356E95.5Very high97.1Very high66 Ų6640.8 Ų40.831%0.30823%0.229SC..Hα-helixtrans-60.7-35.6171.4179.7175.5166.200111.2C359 L360 K382 P398 Y400E356-C359 PolarHBondContact O-N 2.92Å; E356-L360 PolarHBondContact O-N 2.93Å; E356-K382 WeakPolarHBondContact OE1-CE 3.29Å; E356-K382 IonicContact OE1-NZ 3.84Å; E356-K382 PolarHBondContact OE1-NZ 3.39Å; E356-K382 IonicContact OE2-NZ 3.9Å; E356-K382 PolarHBondContact OE2-NZ 3.18Å; E356-P398 HydrophobicContact CB-CB 4.48Å; E356-Y400 HydrophobicContact CG-CD2 4.26Å; E356-Y400 HydrophobicContact CG-CE2 3.57Å; E356-Y400 WeakPolarHBondContact OE1-CE2 3.25Å; E356-Y400 PolarHBondContact OE1-OH 3.19Å; E356-Y400 VanDerWaalsContact OE1-OH 3.05Å
357E97.4Very high97.2Very high158 Ų15840.9 Ų40.974%0.73823%0.23SC*.Hα-helixtrans-67.2-42.7177.8-174175.6-179.400111.9S355 C359 L360 G361S355-E357 PolarHBondContact O-N 3.29Å; S355-E357 PolarHBondContact OG-N 3.37Å; E357-C359 VanDerWaalsContact C-N 3.29Å; E357-C359 PolarHBondContact O-N 3.26Å; E357-L360 PolarHBondContact O-N 3.46Å; E357-L360 VanDerWaalsContact O-N 3.16Å; E357-G361 PolarHBondContact O-N 3.48Å
358D97.1Very high97.2Very high83 Ų8342.9 Ų42.944%0.44425%0.248SC..Hα-helixtrans-58.8-43.6175.1-60.8-44.7000111Q354 S355 G361 K362Q354-D358 HydrophobicContact CB-CB 4.36Å; Q354-D358 HydrophobicContact CG-CB 4.35Å; S355-D358 WeakPolarHBondContact CB-OD2 3.34Å; S355-D358 PolarHBondContact N-OD2 2.97Å; S355-D358 PolarHBondContact O-N 2.78Å; S355-D358 PolarHBondContact OG-N 2.96Å; S355-D358 VanDerWaalsContact OG-N 3.08Å; S355-D358 PolarHBondContact OG-OD2 3.46Å; D358-G361 PolarHBondContact O-N 3.07Å; D358-K362 WeakPolarHBondContact O-CG 3.47Å; D358-K362 PolarHBondContact O-N 3.42Å; D358-K362 VanDerWaalsContact O-N 3.07Å
359C98.2Very high97.2Very high0 Ų045.2 Ų45.20%026%0.26CS..Hα-helixtrans-64.9-40.5177.3-63.50000111.6S355 E356 E357 K362 A363 T399 Y400 V438S355-C359 PolarHBondContact O-N 3.01Å; S355-C359 PolarHBondContact O-SG 3.31Å; E356-C359 PolarHBondContact O-N 2.92Å; E357-C359 VanDerWaalsContact C-N 3.29Å; E357-C359 PolarHBondContact O-N 3.26Å; C359-K362 PolarHBondContact O-N 2.94Å; C359-A363 WeakPolarHBondContact O-CB 3.42Å; C359-A363 PolarHBondContact O-N 2.91Å; C359-T399 PolarHBondContact SG-OG1 2.82Å; C359-Y400 HydrophobicContact CB-CD2 4.42Å; C359-V438 HydrophobicContact CB-CG2 4.17Å; C359-V438 VanDerWaalsContact O-CG2 3.22Å; C359-V438 WeakPolarHBondContact O-CG2 3.49Å
360L98.6Very high97.3Very high73 Ų7345.1 Ų45.138%0.38226%0.26SS..Hα-helixtrans-62.8-45176.8-179.856.9000111.6E356 E357 A363 A364 I380 Y400E356-L360 PolarHBondContact O-N 2.93Å; E357-L360 PolarHBondContact O-N 3.46Å; E357-L360 VanDerWaalsContact O-N 3.16Å; L360-A363 PolarHBondContact O-N 3.19Å; L360-A364 WeakPolarHBondContact O-CB 3.34Å; L360-A364 PolarHBondContact O-N 3.18Å; L360-I380 HydrophobicContact CD1-CG2 4.16Å; L360-Y400 HydrophobicContact CB-CD2 3.61Å; L360-Y400 HydrophobicContact CB-CE2 3.71Å; L360-Y400 HydrophobicContact CB-CG 4.2Å; L360-Y400 HydrophobicContact CD1-CD1 3.8Å; L360-Y400 HydrophobicContact CD1-CD2 4.12Å; L360-Y400 HydrophobicContact CD1-CE1 3.81Å; L360-Y400 HydrophobicContact CD1-CE2 4.14Å; L360-Y400 HydrophobicContact CD1-CG 3.97Å; L360-Y400 HydrophobicContact CD2-CE2 4.41Å; L360-Y400 HydrophobicContact CG-CD2 4.4Å; L360-Y400 HydrophobicContact CG-CE2 4.3Å
361G98.4Very high97.3Very high43 Ų4347.2 Ų47.244%0.44327%0.269SS..Hα-helixtrans-58.2-49.2177.200000112E357 D358 A363 A364 E365E357-G361 PolarHBondContact O-N 3.48Å; D358-G361 PolarHBondContact O-N 3.07Å; G361-A363 PolarHBondContact O-N 3.36Å; G361-A364 PolarHBondContact O-N 2.94Å; G361-E365 PolarHBondContact O-N 3Å
362K98.5Very high97.2Very high26 Ų2649.5 Ų49.511%0.11329%0.288CS..Hα-helixtrans-61.2-42.3176.2-74.1176.973.5-171.60112.9Q354 D358 C359 A364 E365 L366 V438 I441 F446Q354-K362 VanDerWaalsContact OE1-CD 3.3Å; D358-K362 WeakPolarHBondContact O-CG 3.47Å; D358-K362 PolarHBondContact O-N 3.42Å; D358-K362 VanDerWaalsContact O-N 3.07Å; C359-K362 PolarHBondContact O-N 2.94Å; K362-A364 VanDerWaalsContact C-N 3.33Å; K362-E365 PolarHBondContact O-N 3.04Å; K362-L366 WeakPolarHBondContact O-CB 3.26Å; K362-L366 PolarHBondContact O-N 3.43Å; K362-V438 HydrophobicContact CB-CB 4.07Å; K362-V438 HydrophobicContact CB-CG2 3.79Å; K362-V438 WeakPolarHBondContact CE-O 3.03Å; K362-V438 PolarHBondContact NZ-O 3.19Å; K362-I441 VanDerWaalsContact CE-O 3.25Å; K362-I441 WeakPolarHBondContact CE-O 3.33Å; K362-I441 PolarHBondContact NZ-O 2.69Å; K362-F446 HydrophobicContact CB-CZ 4.1Å; K362-F446 HydrophobicContact CG-CZ 4.44Å
363A98.7Very high97.2Very high0 Ų049.9 Ų49.90%029%0.291CS..Hα-helixtrans-65.1-38.1177.700000111.9C359 L360 G361 A367 I380 V402 V438C359-A363 WeakPolarHBondContact O-CB 3.42Å; C359-A363 PolarHBondContact O-N 2.91Å; L360-A363 PolarHBondContact O-N 3.19Å; G361-A363 PolarHBondContact O-N 3.36Å; A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.68Å; A363-I380 HydrophobicContact CB-CG1 4.5Å; A363-I380 HydrophobicContact CB-CG2 3.97Å; A363-V402 HydrophobicContact CB-CG2 4.15Å; A363-V402 WeakPolarHBondContact O-CG2 3.45Å; A363-V438 HydrophobicContact CB-CG1 4.09Å; A363-V438 HydrophobicContact CB-CG2 4.17Å
364A98.6Very high97.2Very high45 Ų4554 Ų5437%0.37231%0.31SS..Hα-helixtrans-64.4-45.1176.200000112.5L360 G361 K362 A368 I380L360-A364 WeakPolarHBondContact O-CB 3.34Å; L360-A364 PolarHBondContact O-N 3.18Å; G361-A364 PolarHBondContact O-N 2.94Å; K362-A364 VanDerWaalsContact C-N 3.33Å; A364-A368 WeakPolarHBondContact O-CB 3.43Å; A364-A368 PolarHBondContact O-N 3.01Å; A364-I380 HydrophobicContact CB-CD1 4.11Å
365E98.5Very high97.2Very high95 Ų9556.5 Ų56.544%0.44432%0.322SS..Hα-helixtrans-63-50.9177.2-176.3176.3177.800111.7G361 K362 A367 A368 M369 F446G361-E365 PolarHBondContact O-N 3Å; K362-E365 PolarHBondContact O-N 3.04Å; E365-A367 PolarHBondContact O-N 2.92Å; E365-A368 PolarHBondContact O-N 3.29Å; E365-M369 WeakPolarHBondContact O-CG 3.11Å; E365-M369 PolarHBondContact O-N 3.39Å; E365-M369 VanDerWaalsContact O-N 3.17Å; E365-F446 HydrophobicContact CB-CE2 4.01Å; E365-F446 HydrophobicContact CG-CD2 4.05Å; E365-F446 HydrophobicContact CG-CE2 3.93Å
366L98.6Very high97.3Very high0 Ų055 Ų550%031%0.31CS..Hα-helixtrans-61.1-45.5177.7179.560.1000111.4K362 A368 M369 L370 V402 L436 V438 I441 F446 I449K362-L366 WeakPolarHBondContact O-CB 3.26Å; K362-L366 PolarHBondContact O-N 3.43Å; L366-A368 VanDerWaalsContact C-N 3.32Å; L366-A368 PolarHBondContact O-N 3.42Å; L366-M369 PolarHBondContact O-N 3.41Å; L366-L370 HydrophobicContact CD1-CD1 4.05Å; L366-L370 HydrophobicContact CD1-CG 4.19Å; L366-L370 HydrophobicContact CG-CD1 4.1Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 2.89Å; L366-V402 HydrophobicContact CB-CG2 4.18Å; L366-V402 HydrophobicContact CD2-CB 4.45Å; L366-V402 HydrophobicContact CD2-CG2 3.99Å; L366-V402 HydrophobicContact CG-CG2 4.14Å; L366-L436 HydrophobicContact CD2-CD1 4.43Å; L366-V438 HydrophobicContact CD2-CG1 4.1Å; L366-I441 HydrophobicContact CD2-CD1 4.26Å; L366-F446 HydrophobicContact CB-CD1 4.37Å; L366-F446 HydrophobicContact CB-CD2 4.16Å; L366-F446 HydrophobicContact CB-CE1 4.23Å; L366-F446 HydrophobicContact CB-CE2 4.02Å; L366-F446 HydrophobicContact CB-CG 4.34Å; L366-F446 HydrophobicContact CB-CZ 4.05Å; L366-F446 HydrophobicContact CD1-CB 4.07Å; L366-F446 HydrophobicContact CD1-CD1 3.99Å; L366-F446 HydrophobicContact CD1-CD2 4.49Å; L366-F446 HydrophobicContact CD1-CG 3.94Å; L366-F446 HydrophobicContact CD2-CD1 4.48Å; L366-F446 HydrophobicContact CD2-CE1 4.39Å; L366-I449 HydrophobicContact CD1-CB 4.48Å; L366-I449 HydrophobicContact CD1-CD1 4.43Å; L366-I449 HydrophobicContact CD1-CG2 4.26Å; L366-I449 HydrophobicContact CD2-CD1 4.43Å
367A98.5Very high97.4Very high3 Ų354.3 Ų54.33%0.02531%0.312CS..Hα-helixtrans-60-42.2178.800000111.9A363 E365 M369 L370 Q371 V378 I380 V402A363-A367 WeakPolarHBondContact O-CB 3.46Å; A363-A367 PolarHBondContact O-N 2.68Å; E365-A367 PolarHBondContact O-N 2.92Å; A367-M369 VanDerWaalsContact C-N 3.31Å; A367-M369 PolarHBondContact O-N 2.91Å; A367-L370 PolarHBondContact O-N 3.04Å; A367-Q371 WeakPolarHBondContact O-CG 3.44Å; A367-Q371 PolarHBondContact O-N 3.44Å; A367-Q371 VanDerWaalsContact O-N 3.12Å; A367-V378 HydrophobicContact CB-CG1 3.79Å; A367-I380 HydrophobicContact CB-CD1 3.93Å; A367-I380 HydrophobicContact CB-CG1 3.7Å; A367-V402 HydrophobicContact CB-CG1 4.22Å; A367-V402 HydrophobicContact CB-CG2 4.22Å
368A98.1Very high97.4Very high59 Ų5948 Ų4849%0.48828%0.284SS..Hα-helixtrans-61.1-39177.500000112.3A364 E365 L366 L370A364-A368 WeakPolarHBondContact O-CB 3.43Å; A364-A368 PolarHBondContact O-N 3.01Å; E365-A368 PolarHBondContact O-N 3.29Å; L366-A368 VanDerWaalsContact C-N 3.32Å; L366-A368 PolarHBondContact O-N 3.42Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.03Å
369M97.9Very high97.5Very high50 Ų5050 Ų5025%0.24629%0.289CS..Hα-helixtrans-65.5-33.6175.9-68.1178.466.100112.8E365 L366 A367 F446 Q450E365-M369 WeakPolarHBondContact O-CG 3.11Å; E365-M369 PolarHBondContact O-N 3.39Å; E365-M369 VanDerWaalsContact O-N 3.17Å; L366-M369 PolarHBondContact O-N 3.41Å; A367-M369 VanDerWaalsContact C-N 3.31Å; A367-M369 PolarHBondContact O-N 2.91Å; M369-F446 HydrophobicContact CE-CB 4.07Å; M369-F446 HydrophobicContact SD-CB 3.73Å; M369-F446 HydrophobicContact SD-CD2 4.17Å; M369-F446 HydrophobicContact SD-CG 4.46Å; M369-Q450 HydrophobicContact CE-CB 4.4Å; M369-Q450 PolarHBondContact O-NE2 3.42Å
370L98.1Very high97.5Very high0 Ų053.4 Ų53.40%031%0.306CS..Hα-helixtrans-86.7-16-175.8-60.3-177.7000114L366 A367 A368 S372 I373 L376 V378 V402 L404 L436 I449 Q450 L453L366-L370 HydrophobicContact CD1-CD1 4.05Å; L366-L370 HydrophobicContact CD1-CG 4.19Å; L366-L370 HydrophobicContact CG-CD1 4.1Å; L366-L370 WeakPolarHBondContact O-CG 3.33Å; L366-L370 PolarHBondContact O-N 2.89Å; A367-L370 PolarHBondContact O-N 3.04Å; A368-L370 VanDerWaalsContact C-N 3.31Å; A368-L370 PolarHBondContact O-N 3.03Å; L370-S372 PolarHBondContact O-N 2.91Å; L370-S372 VanDerWaalsContact O-N 3.13Å; L370-I373 HydrophobicContact CD2-CD1 4.03Å; L370-I373 PolarHBondContact O-N 3.1Å; L370-L376 HydrophobicContact CB-CD2 4.49Å; L370-V378 HydrophobicContact CB-CG1 4.36Å; L370-V378 HydrophobicContact CB-CG2 3.9Å; L370-V402 HydrophobicContact CD1-CG1 4.35Å; L370-L404 HydrophobicContact CD1-CD2 4.08Å; L370-L436 HydrophobicContact CD1-CD1 4.41Å; L370-I449 HydrophobicContact CD1-CG2 4.38Å; L370-I449 HydrophobicContact CD2-CG2 4.38Å; L370-Q450 HydrophobicContact CD2-CB 3.97Å; L370-Q450 HydrophobicContact CD2-CG 4.23Å; L370-L453 HydrophobicContact CD1-CD1 3.79Å; L370-L453 HydrophobicContact CD2-CD1 3.65Å; L370-L453 HydrophobicContact CG-CD1 4.31Å
371Q95.6Very high97.4Very high139 Ų13952.9 Ų52.965%0.6530%0.302SS*.THydrogen-bonded Turntrans-59.6-23.2-178.3-84.1175.422.400114.7A367 I373A367-Q371 WeakPolarHBondContact O-CG 3.44Å; A367-Q371 PolarHBondContact O-N 3.44Å; A367-Q371 VanDerWaalsContact O-N 3.12Å; Q371-I373 VanDerWaalsContact C-N 3.29Å; Q371-I373 PolarHBondContact O-N 2.9Å
372S93.7Very high97.4Very high82 Ų8256.7 Ų56.757%0.57331%0.307SS*.THydrogen-bonded Turntrans-79-10.3-178.659.80000114L370 T374L370-S372 PolarHBondContact O-N 2.91Å; L370-S372 VanDerWaalsContact O-N 3.13Å; S372-T374 PolarHBondContact O-N 2.69Å
373I96.1Very high97.4Very high11 Ų1156.8 Ų56.86%0.05631%0.308CS..SBendtrans-80118-177.1-55.5179.8000109.1L370 Q371 L376 L453 Q454 F457L370-I373 HydrophobicContact CD2-CD1 4.03Å; L370-I373 PolarHBondContact O-N 3.1Å; Q371-I373 VanDerWaalsContact C-N 3.29Å; Q371-I373 PolarHBondContact O-N 2.9Å; I373-L376 HydrophobicContact CB-CB 4.11Å; I373-L376 HydrophobicContact CB-CD2 3.99Å; I373-L376 HydrophobicContact CD1-CD2 4.07Å; I373-L376 HydrophobicContact CG2-CB 3.96Å; I373-L376 HydrophobicContact CG2-CD2 4.15Å; I373-L376 PolarHBondContact O-N 3.47Å; I373-L453 HydrophobicContact CD1-CB 3.48Å; I373-L453 VanDerWaalsContact CD1-CB 3.48Å; I373-Q454 HydrophobicContact CD1-CG 3.93Å; I373-Q454 HydrophobicContact CG1-CG 3.94Å; I373-F457 HydrophobicContact CG2-CB 3.73Å; I373-F457 HydrophobicContact CG2-CD1 4.45Å; I373-F457 HydrophobicContact CG2-CD2 4.06Å; I373-F457 HydrophobicContact CG2-CG 3.82Å
374T94Very high97.2Very high116 Ų11659 Ų5971%0.71232%0.324SS*.THydrogen-bonded Turntrans-68146.7-178.9-52.80000110.2S372 L376 F457S372-T374 PolarHBondContact O-N 2.69Å; T374-L376 PolarHBondContact O-N 3.1Å; T374-L376 VanDerWaalsContact O-N 3.17Å; T374-F457 WeakPolarHBondContact O-CD1 3.4Å
375E95.1Very high97.1Very high89 Ų8956.9 Ų56.942%0.41631%0.306SS..THydrogen-bonded Turntrans66.25.2-176.9-49-172.810800115.8S406 S407 K408 F457E375-S406 WeakPolarHBondContact O-CA 3.23Å; E375-S406 PolarHBondContact O-OG 3.45Å; E375-S407 WeakPolarHBondContact CB-OG 3.25Å; E375-S407 PolarHBondContact O-N 3Å; E375-K408 WeakPolarHBondContact OE2-CD 3.33Å; E375-F457 HydrophobicContact CB-CD1 4.08Å; E375-F457 HydrophobicContact CB-CE1 4.2Å
376L97.4Very high97Very high17 Ų1758.2 Ų58.29%0.08931%0.311CS..EExtended strand (participates in β ladder)trans-107.7119.7173-174.270.1000109.7L370 I373 T374 V378 L404 L414 L453 F457L370-L376 HydrophobicContact CB-CD2 4.49Å; I373-L376 HydrophobicContact CB-CB 4.11Å; I373-L376 HydrophobicContact CB-CD2 3.99Å; I373-L376 HydrophobicContact CD1-CD2 4.07Å; I373-L376 HydrophobicContact CG2-CB 3.96Å; I373-L376 HydrophobicContact CG2-CD2 4.15Å; I373-L376 PolarHBondContact O-N 3.47Å; T374-L376 PolarHBondContact O-N 3.1Å; T374-L376 VanDerWaalsContact O-N 3.17Å; L376-V378 HydrophobicContact CD2-CG2 4Å; L376-V378 HydrophobicContact CG-CG2 3.98Å; L376-L404 HydrophobicContact CD1-CB 4.06Å; L376-L404 HydrophobicContact CD1-CD2 4.3Å; L376-L404 HydrophobicContact CD2-CD2 4.23Å; L376-L404 HydrophobicContact CG-CD2 4.41Å; L376-L414 HydrophobicContact CD1-CD2 4.43Å; L376-L453 HydrophobicContact CD2-CD1 4.24Å; L376-F457 HydrophobicContact CB-CE1 4.14Å; L376-F457 HydrophobicContact CB-CE2 4.44Å; L376-F457 HydrophobicContact CB-CZ 4.09Å; L376-F457 HydrophobicContact CD1-CE1 4.41Å; L376-F457 HydrophobicContact CD1-CE2 3.84Å; L376-F457 HydrophobicContact CD1-CZ 3.59Å; L376-F457 HydrophobicContact CG-CZ 4.39Å
377S97.7Very high96.7Very high52 Ų5258.3 Ų58.336%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-95.2125.3170.3161.10000109.2S405S377-S405 VanDerWaalsContact CB-OG 3.26Å; S377-S405 WeakPolarHBondContact CB-OG 3.29Å; S377-S405 PolarHBondContact N-O 3.11Å; S377-S405 PolarHBondContact O-N 3.39Å; S377-S405 PolarHBondContact O-OG 3.23Å; S377-S405 PolarHBondContact OG-OG 2.89Å
378V98.4Very high96.2Very high26 Ų2658.4 Ų58.416%0.15831%0.312CS..EExtended strand (participates in β ladder)trans-117.2124.4-173.5-175.30000109.3A367 L370 L376 V402 L404A367-V378 HydrophobicContact CB-CG1 3.79Å; L370-V378 HydrophobicContact CB-CG1 4.36Å; L370-V378 HydrophobicContact CB-CG2 3.9Å; L376-V378 HydrophobicContact CD2-CG2 4Å; L376-V378 HydrophobicContact CG-CG2 3.98Å; V378-V402 HydrophobicContact CG1-CG1 3.46Å; V378-V402 VanDerWaalsContact CG1-CG1 3.46Å; V378-L404 HydrophobicContact CB-CD2 4.42Å; V378-L404 HydrophobicContact CG1-CD2 4.18Å; V378-L404 HydrophobicContact CG2-CD2 3.95Å
379K98Very high95Very high123 Ų12357.9 Ų57.954%0.53531%0.313SS..EExtended strand (participates in β ladder)trans-132.2147.2175.8-63.4-179.2-175.11710110.7V402 A403K379-V402 CarbonylContact O-C 3.54Å; K379-V402 WeakPolarHBondContact O-CA 3.31Å; K379-A403 PolarHBondContact N-O 3.17Å; K379-A403 PolarHBondContact O-N 3.37Å
380I98.5Very high93.8Very high72 Ų7256 Ų5637%0.36931%0.306SS..EExtended strand (participates in β ladder)trans-95.8127.5171.2-60.6166.3000107.4L360 A363 A364 A367 Y400 A401L360-I380 HydrophobicContact CD1-CG2 4.16Å; A363-I380 HydrophobicContact CB-CG1 4.5Å; A363-I380 HydrophobicContact CB-CG2 3.97Å; A364-I380 HydrophobicContact CB-CD1 4.11Å; A367-I380 HydrophobicContact CB-CD1 3.93Å; A367-I380 HydrophobicContact CB-CG1 3.7Å; I380-Y400 HydrophobicContact CG2-CD1 3.71Å; I380-Y400 HydrophobicContact CG2-CG 4.35Å; I380-A401 WeakPolarHBondContact CA-O 3.44Å
381E98Very high92.8Very high62 Ų6256.1 Ų56.129%0.2931%0.307SS..EExtended strand (participates in β ladder)trans-129.5138.6180-66-163.2-170.500111.6Y400 A401 A403 Y435E381-Y400 CarbonylContact O-C 3.53Å; E381-Y400 VanDerWaalsContact O-CA 3.29Å; E381-Y400 WeakPolarHBondContact O-CA 3.32Å; E381-A401 PolarHBondContact N-O 3.05Å; E381-A401 PolarHBondContact O-N 3.15Å; E381-A403 HydrophobicContact CG-CB 4.21Å; E381-Y435 HydrophobicContact CB-CE1 4.12Å; E381-Y435 VanDerWaalsContact CD-OH 3.29Å; E381-Y435 WeakPolarHBondContact OE2-CE1 3.45Å; E381-Y435 VanDerWaalsContact OE2-CZ 3.3Å; E381-Y435 PolarHBondContact OE2-OH 3.37Å
382K98Very high92.4Very high124 Ų12449.8 Ų49.854%0.53928%0.277SS..EExtended strand (participates in β ladder)trans-71.9132.6170.6-175168.5178.9155.20109.1E356 Y400E356-K382 WeakPolarHBondContact OE1-CE 3.29Å; E356-K382 IonicContact OE1-NZ 3.84Å; E356-K382 PolarHBondContact OE1-NZ 3.39Å; E356-K382 IonicContact OE2-NZ 3.9Å; E356-K382 PolarHBondContact OE2-NZ 3.18Å; K382-Y400 HydrophobicContact CB-CD1 4.16Å; K382-Y400 HydrophobicContact CB-CE1 3.69Å; K382-Y400 HydrophobicContact CG-CE1 4.29Å
383D97.3Very high91.8Very high27 Ų2747.6 Ų47.614%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-150.1-164.6-178.3-158.75.4000110.7T399 R428 K430D383-T399 HydrophobicContact CB-CG2 4.28Å; D383-T399 PolarHBondContact N-O 3.26Å; D383-T399 PolarHBondContact O-N 2.9Å; D383-R428 IonicContact OD2-CZ 2.94Å; D383-R428 VanDerWaalsContact OD2-CZ 3.23Å; D383-R428 IonicContact OD2-NH1 2.74Å; D383-R428 PolarHBondContact OD2-NH1 2.89Å; D383-R428 IonicContact OD2-NH2 2.91Å; D383-R428 PolarHBondContact OD2-NH2 3.3Å; D383-K430 IonicContact OD1-NZ 3.2Å
384S96.2Very high91.1Very high47 Ų4753.4 Ų53.433%0.32929%0.288SS..EExtended strand (participates in β ladder)trans-136132.7173.1-470000113.3L397S384-L397 CarbonylContact C-O 3.29Å; S384-L397 WeakPolarHBondContact CA-O 3.44Å
385S96.5Very high90.8Very high1 Ų150.5 Ų50.51%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-82.2158.9175.1-55.30000111G83 L396 L397 T399 D437 R439G83-S385 WeakPolarHBondContact O-CA 3.09Å; G83-S385 WeakPolarHBondContact O-CB 3.4Å; S385-L396 WeakPolarHBondContact O-CA 3.39Å; S385-L397 PolarHBondContact N-O 3.23Å; S385-L397 PolarHBondContact O-N 2.93Å; S385-T399 VanDerWaalsContact OG-CB 3.23Å; S385-T399 WeakPolarHBondContact OG-CB 3.48Å; S385-T399 VanDerWaalsContact OG-CG2 3.23Å; S385-T399 WeakPolarHBondContact OG-CG2 3.25Å; S385-T399 PolarHBondContact OG-OG1 3.33Å; S385-D437 PolarHBondContact OG-OD1 3.3Å; S385-D437 VanDerWaalsContact OG-OD1 3.08Å; S385-D437 PolarHBondContact OG-OD2 3.42Å; S385-R439 VanDerWaalsContact OG-CB 3.26Å; S385-R439 WeakPolarHBondContact OG-CB 3.49Å; S385-R439 PolarHBondContact OG-NE 3.45Å
386K94.8Very high90.8Very high123 Ų12350.3 Ų50.354%0.53527%0.267SS..EExtended strand (participates in β ladder)trans-106.1143.7173-65.3-177.9-179.9-176.30110G83 T84 V85 L396G83-K386 PolarHBondContact O-N 3.41Å; T84-K386 VanDerWaalsContact CA-O 3.27Å; T84-K386 WeakPolarHBondContact CA-O 3.38Å; T84-K386 HydrophobicContact CG2-CB 4.29Å; V85-K386 PolarHBondContact N-O 3.03Å; K386-L396 HydrophobicContact CG-CD2 3.78Å
387I93.7Very high90.6Very high1 Ų149.8 Ų49.81%0.00527%0.265CS..  trans-73.1-48.5170.8-66.6165.1000109.6V85 I86 L267 L291 I352 S391 Y392 L397V85-I387 PolarHBondContact N-O 3.06Å; I86-I387 WeakPolarHBondContact CB-O 3.46Å; I86-I387 HydrophobicContact CD1-CG2 4.19Å; I86-I387 PolarHBondContact N-O 2.73Å; L267-I387 HydrophobicContact CD1-CD1 3.6Å; L267-I387 HydrophobicContact CD2-CD1 3.52Å; L267-I387 HydrophobicContact CG-CD1 4.27Å; L291-I387 HydrophobicContact CD2-CG2 4.2Å; I352-I387 HydrophobicContact CD1-CG2 4.11Å; I387-S391 WeakPolarHBondContact CG2-O 3.48Å; I387-Y392 HydrophobicContact CD1-CD2 3.92Å; I387-Y392 HydrophobicContact CD1-CG 3.85Å; I387-Y392 HydrophobicContact CG2-CD2 4.38Å; I387-L397 HydrophobicContact CD1-CD1 4.37Å; I387-L397 HydrophobicContact CD1-CG 4.42Å; I387-L397 HydrophobicContact CG1-CD1 3.78Å; I387-L397 HydrophobicContact CG1-CG 4.17Å
388G86.8Confident90.6Very high5 Ų550.3 Ų50.35%0.05227%0.267CS..  trans151.8153.7175.400000111G390 S391G388-G390 PolarHBondContact O-N 2.84Å; G388-S391 CarbonylContact O-C 3.16Å; G388-S391 PolarHBondContact O-N 3.15Å
389G72.9Confident90.5Very high48 Ų4849.1 Ų49.150%0.49526%0.259SS..THydrogen-bonded Turntrans-67.7-1.5-175.600000115N224N224-G389 WeakPolarHBondContact CA-O 3.46Å; N224-G389 WeakPolarHBondContact CB-O 3.22Å
390G73.2Confident90.6Very high11 Ų1145.2 Ų45.211%0.11324%0.242CC..THydrogen-bonded Turntrans-114.85.2179.300000114.6S223 G388S223-G390 VanDerWaalsContact CB-O 3.3Å; S223-G390 WeakPolarHBondContact CB-O 3.28Å; S223-G390 CarbonylContact O-C 3.58Å; G388-G390 PolarHBondContact O-N 2.84Å
391S76.2Confident90.6Very high2 Ų241.8 Ų41.81%0.01422%0.224CC..SBendtrans-160121.3-177.8-64.10000109S223 L291 I387 G388S223-S391 PolarHBondContact O-N 3.49Å; L291-S391 WeakPolarHBondContact CG-OG 3.29Å; I387-S391 WeakPolarHBondContact CG2-O 3.48Å; G388-S391 CarbonylContact O-C 3.16Å; G388-S391 PolarHBondContact O-N 3.15Å
392Y87.1Confident90.6Very high7 Ų738.8 Ų38.83%0.02721%0.21CC..SBendtrans54.455.5-176.3-63.2-82.4000114.6L267 P268 E270 L291 I387 E394 H395L267-Y392 HydrophobicContact CB-CD1 4.44Å; L267-Y392 HydrophobicContact CB-CE1 3.81Å; L267-Y392 HydrophobicContact CD1-CD1 4.44Å; L267-Y392 HydrophobicContact CD1-CD2 3.84Å; L267-Y392 HydrophobicContact CD1-CE1 4.15Å; L267-Y392 HydrophobicContact CD1-CE2 3.51Å; L267-Y392 HydrophobicContact CD1-CG 4.29Å; P268-Y392 HydrophobicContact CG-CD1 3.73Å; P268-Y392 HydrophobicContact CG-CE1 3.76Å; P268-Y392 VanDerWaalsContact O-CE1 3.29Å; P268-Y392 WeakPolarHBondContact O-CE1 3.29Å; P268-Y392 PolarHBondContact O-OH 2.89Å; E270-Y392 HydrophobicContact CB-CE1 4.18Å; E270-Y392 WeakPolarHBondContact CB-OH 3.23Å; E270-Y392 HydrophobicContact CG-CD1 3.88Å; E270-Y392 HydrophobicContact CG-CE1 3.17Å; E270-Y392 HydrophobicContact CG-CE2 3.95Å; E270-Y392 WeakPolarHBondContact CG-OH 2.94Å; L291-Y392 HydrophobicContact CD1-CD2 4.04Å; L291-Y392 HydrophobicContact CD1-CE2 3.72Å; L291-Y392 HydrophobicContact CD2-CD2 4.22Å; L291-Y392 HydrophobicContact CD2-CE2 4.22Å; I387-Y392 HydrophobicContact CD1-CD2 3.92Å; I387-Y392 HydrophobicContact CD1-CG 3.85Å; I387-Y392 HydrophobicContact CG2-CD2 4.38Å; Y392-E394 VanDerWaalsContact C-N 3.28Å; Y392-E394 PolarHBondContact O-N 3.49Å; Y392-E394 VanDerWaalsContact O-N 3.17Å; Y392-H395 PolarHBondContact O-N 3.31Å
393P81.6Confident90.6Very high35 Ų3533 Ų3323%0.22719%0.185CC..THydrogen-bonded Turntrans-61.9-30.2-168.625.4-35.4000114.6R226R226-P393 HydrophobicContact CG-CG 4.1Å
394E81.7Confident90.7Very high133 Ų13331.7 Ų31.762%0.62118%0.178SC*.THydrogen-bonded Turntrans-95.1-11.3-177.4-62.5-59.9130.400113.7R226 Y392R226-E394 HydrophobicContact CB-CG 4.03Å; R226-E394 HydrophobicContact CG-CG 4.01Å; Y392-E394 VanDerWaalsContact C-N 3.28Å; Y392-E394 PolarHBondContact O-N 3.49Å; Y392-E394 VanDerWaalsContact O-N 3.17Å
395H88.9Confident90.8Very high55 Ų5531 Ų3126%0.25517%0.174SC..  trans-94.4128.7-172.9-16581.6000111.1G266 L267 Y392G266-H395 PolarHBondContact O-CE1 3.33Å; G266-H395 VanDerWaalsContact O-CE1 3.31Å; G266-H395 PolarHBondContact O-NE2 2.91Å; L267-H395 WeakPolarHBondContact CD2-CD2 3.36Å; Y392-H395 PolarHBondContact O-N 3.31Å
396L93.3Very high90.8Very high85 Ų8532.3 Ų32.345%0.44518%0.183SC..EExtended strand (participates in β ladder)trans-109.3140.3178.9-56.6178.4000109.9S385 K386S385-L396 WeakPolarHBondContact O-CA 3.39Å; K386-L396 HydrophobicContact CG-CD2 3.78Å
397L94.8Very high90.7Very high7 Ų731.2 Ų31.24%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-99.7123.5179.2-69.8172.3000110.1L267 I352 S384 S385 I387 T399L267-L397 HydrophobicContact CD2-CD2 3.66Å; I352-L397 HydrophobicContact CG2-CD1 4.35Å; S384-L397 CarbonylContact C-O 3.29Å; S384-L397 WeakPolarHBondContact CA-O 3.44Å; S385-L397 PolarHBondContact N-O 3.23Å; S385-L397 PolarHBondContact O-N 2.93Å; I387-L397 HydrophobicContact CD1-CD1 4.37Å; I387-L397 HydrophobicContact CD1-CG 4.42Å; I387-L397 HydrophobicContact CG1-CD1 3.78Å; I387-L397 HydrophobicContact CG1-CG 4.17Å; L397-T399 PolarHBondContact O-N 3Å
398P96.3Very high90.7Very high63 Ų6335.6 Ų35.641%0.40921%0.21SC..EExtended strand (participates in β ladder)trans-57.6127.1177.8-23.232.6000112.1E356 R439E356-P398 HydrophobicContact CB-CB 4.48Å; P398-R439 PolarHBondContact O-NH2 3.4Å
399T97.7Very high91.2Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-143.4179.3-176.1-163.20000112C359 D383 S385 L397 D437C359-T399 PolarHBondContact SG-OG1 2.82Å; D383-T399 HydrophobicContact CB-CG2 4.28Å; D383-T399 PolarHBondContact N-O 3.26Å; D383-T399 PolarHBondContact O-N 2.9Å; S385-T399 VanDerWaalsContact OG-CB 3.23Å; S385-T399 WeakPolarHBondContact OG-CB 3.48Å; S385-T399 VanDerWaalsContact OG-CG2 3.23Å; S385-T399 WeakPolarHBondContact OG-CG2 3.25Å; S385-T399 PolarHBondContact OG-OG1 3.33Å; L397-T399 PolarHBondContact O-N 3Å; T399-D437 WeakPolarHBondContact CG2-OD2 3.21Å; T399-D437 PolarHBondContact OG1-OD1 2.94Å
400Y98.6Very high92.3Very high41 Ų4137.1 Ų37.116%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-121.1145.6165.2-74.3-92.6000110E356 C359 L360 I380 E381 K382 V438E356-Y400 HydrophobicContact CG-CD2 4.26Å; E356-Y400 HydrophobicContact CG-CE2 3.57Å; E356-Y400 WeakPolarHBondContact OE1-CE2 3.25Å; E356-Y400 PolarHBondContact OE1-OH 3.19Å; E356-Y400 VanDerWaalsContact OE1-OH 3.05Å; C359-Y400 HydrophobicContact CB-CD2 4.42Å; L360-Y400 HydrophobicContact CB-CD2 3.61Å; L360-Y400 HydrophobicContact CB-CE2 3.71Å; L360-Y400 HydrophobicContact CB-CG 4.2Å; L360-Y400 HydrophobicContact CD1-CD1 3.8Å; L360-Y400 HydrophobicContact CD1-CD2 4.12Å; L360-Y400 HydrophobicContact CD1-CE1 3.81Å; L360-Y400 HydrophobicContact CD1-CE2 4.14Å; L360-Y400 HydrophobicContact CD1-CG 3.97Å; L360-Y400 HydrophobicContact CD2-CE2 4.41Å; L360-Y400 HydrophobicContact CG-CD2 4.4Å; L360-Y400 HydrophobicContact CG-CE2 4.3Å; I380-Y400 HydrophobicContact CG2-CD1 3.71Å; I380-Y400 HydrophobicContact CG2-CG 4.35Å; E381-Y400 CarbonylContact O-C 3.53Å; E381-Y400 VanDerWaalsContact O-CA 3.29Å; E381-Y400 WeakPolarHBondContact O-CA 3.32Å; K382-Y400 HydrophobicContact CB-CD1 4.16Å; K382-Y400 HydrophobicContact CB-CE1 3.69Å; K382-Y400 HydrophobicContact CG-CE1 4.29Å; Y400-V438 WeakPolarHBondContact O-CG2 3.36Å; Y400-V438 PolarHBondContact O-N 3.43Å
401A98.4Very high93.5Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-121.4151.2173.500000110I380 E381 Y435 L436I380-A401 WeakPolarHBondContact CA-O 3.44Å; E381-A401 PolarHBondContact N-O 3.05Å; E381-A401 PolarHBondContact O-N 3.15Å; A401-Y435 HydrophobicContact CB-CD1 3.66Å; A401-Y435 HydrophobicContact CB-CG 4.36Å; A401-L436 CarbonylContact C-O 3.6Å; A401-L436 VanDerWaalsContact CA-O 3.29Å; A401-L436 WeakPolarHBondContact CA-O 3.45Å
402V98.7Very high94.5Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-91.6103.5166.5-176.70000107.4A363 L366 A367 L370 V378 K379 L404 L436 V438A363-V402 HydrophobicContact CB-CG2 4.15Å; A363-V402 WeakPolarHBondContact O-CG2 3.45Å; L366-V402 HydrophobicContact CB-CG2 4.18Å; L366-V402 HydrophobicContact CD2-CB 4.45Å; L366-V402 HydrophobicContact CD2-CG2 3.99Å; L366-V402 HydrophobicContact CG-CG2 4.14Å; A367-V402 HydrophobicContact CB-CG1 4.22Å; A367-V402 HydrophobicContact CB-CG2 4.22Å; L370-V402 HydrophobicContact CD1-CG1 4.35Å; V378-V402 HydrophobicContact CG1-CG1 3.46Å; V378-V402 VanDerWaalsContact CG1-CG1 3.46Å; K379-V402 CarbonylContact O-C 3.54Å; K379-V402 WeakPolarHBondContact O-CA 3.31Å; V402-L404 HydrophobicContact CG1-CD2 3.86Å; V402-L436 HydrophobicContact CB-CB 4.34Å; V402-L436 PolarHBondContact N-O 2.99Å; V402-L436 PolarHBondContact O-N 3.31Å; V402-V438 HydrophobicContact CG2-CG1 4.27Å
403A98.6Very high95Very high2 Ų244.2 Ų44.22%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-81.2120.9177.100000109.9K379 E381 Y435K379-A403 PolarHBondContact N-O 3.17Å; K379-A403 PolarHBondContact O-N 3.37Å; E381-A403 HydrophobicContact CG-CB 4.21Å; A403-Y435 HydrophobicContact CB-CD1 4.45Å; A403-Y435 HydrophobicContact CB-CD2 4.28Å; A403-Y435 HydrophobicContact CB-CE1 4.18Å; A403-Y435 HydrophobicContact CB-CE2 4.05Å; A403-Y435 HydrophobicContact CB-CG 4.48Å
404L98.5Very high95.8Very high0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-107.3130.2-179-58.4-175.5000110.1L370 L376 V378 V402 C433 N434 L436 L453L370-L404 HydrophobicContact CD1-CD2 4.08Å; L376-L404 HydrophobicContact CD1-CB 4.06Å; L376-L404 HydrophobicContact CD1-CD2 4.3Å; L376-L404 HydrophobicContact CD2-CD2 4.23Å; L376-L404 HydrophobicContact CG-CD2 4.41Å; V378-L404 HydrophobicContact CB-CD2 4.42Å; V378-L404 HydrophobicContact CG1-CD2 4.18Å; V378-L404 HydrophobicContact CG2-CD2 3.95Å; V402-L404 HydrophobicContact CG1-CD2 3.86Å; L404-C433 CarbonylContact O-C 3.58Å; L404-C433 VanDerWaalsContact O-CA 3.27Å; L404-C433 WeakPolarHBondContact O-CA 3.5Å; L404-C433 WeakPolarHBondContact O-CB 3.38Å; L404-N434 HydrophobicContact CB-CB 4.22Å; L404-N434 WeakPolarHBondContact CB-O 3.23Å; L404-N434 PolarHBondContact N-O 3.37Å; L404-N434 PolarHBondContact O-N 3.3Å; L404-L436 HydrophobicContact CD1-CD1 3.65Å; L404-L436 HydrophobicContact CD1-CG 3.96Å; L404-L436 HydrophobicContact CG-CD1 4.35Å; L404-L436 HydrophobicContact CG-CG 4.36Å; L404-L453 HydrophobicContact CD1-CD1 3.83Å; L404-L453 HydrophobicContact CD1-CD2 4.23Å
405S97.8Very high96.6Very high33 Ų3336.7 Ų36.723%0.23121%0.207CC..EExtended strand (participates in β ladder)trans-132.4150.717344.40000109.3S377S377-S405 VanDerWaalsContact CB-OG 3.26Å; S377-S405 WeakPolarHBondContact CB-OG 3.29Å; S377-S405 PolarHBondContact N-O 3.11Å; S377-S405 PolarHBondContact O-N 3.39Å; S377-S405 PolarHBondContact O-OG 3.23Å; S377-S405 PolarHBondContact OG-OG 2.89Å
406S96.6Very high97Very high28 Ų2838.7 Ų38.720%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-130.8144.2-176.9179.40000111.8E375 K408 F409 F457E375-S406 WeakPolarHBondContact O-CA 3.23Å; E375-S406 PolarHBondContact O-OG 3.45Å; S406-K408 VanDerWaalsContact C-N 3.29Å; S406-K408 PolarHBondContact OG-N 3.41Å; S406-F409 WeakPolarHBondContact CB-O 3.29Å; S406-F409 PolarHBondContact OG-N 2.76Å; S406-F457 VanDerWaalsContact OG-CE1 3.23Å; S406-F457 WeakPolarHBondContact OG-CE1 3.24Å
407S93.3Very high97.2Very high99 Ų9938.4 Ų38.469%0.69221%0.212SC*.SBendtrans-77.7-15.516753.50000113.3E375E375-S407 WeakPolarHBondContact CB-OG 3.25Å; E375-S407 PolarHBondContact O-N 3Å
408K94.3Very high97.3Very high94 Ų9438.1 Ų38.141%0.40921%0.211SC..SBendtrans-101.2-33.5-174.7-175.6176.1177.5-179.10112.9E375 S406 F457E375-K408 WeakPolarHBondContact OE2-CD 3.33Å; S406-K408 VanDerWaalsContact C-N 3.29Å; S406-K408 PolarHBondContact OG-N 3.41Å; K408-F457 PolarHBondContact NZ-O 3.28Å; K408-F457 VanDerWaalsContact NZ-O 3.15Å
409F96.1Very high97.3Very high34 Ų3440.6 Ų40.615%0.14921%0.212CC..SBendtrans-127141.5-174.9-54.3-57000111.9S406 T413 L414 K417 I456 F457S406-F409 WeakPolarHBondContact CB-O 3.29Å; S406-F409 PolarHBondContact OG-N 2.76Å; F409-T413 HydrophobicContact CB-CG2 4.36Å; F409-T413 HydrophobicContact CD1-CG2 3.91Å; F409-T413 HydrophobicContact CG-CG2 4.42Å; F409-L414 HydrophobicContact CB-CB 4.14Å; F409-K417 HydrophobicContact CD1-CD 4.46Å; F409-K417 HydrophobicContact CD2-CD 4.47Å; F409-K417 HydrophobicContact CE1-CD 4.17Å; F409-K417 HydrophobicContact CE2-CD 4.16Å; F409-K417 HydrophobicContact CZ-CD 3.99Å; F409-I456 HydrophobicContact CD2-CG2 4.45Å; F409-I456 HydrophobicContact CE2-CG2 3.94Å; F409-F457 HydrophobicContact CD2-CE1 4.2Å; F409-F457 HydrophobicContact CD2-CZ 4.08Å; F409-F457 HydrophobicContact CE2-CD1 4.5Å; F409-F457 HydrophobicContact CE2-CE1 4.38Å; F409-F457 HydrophobicContact CE2-CZ 4.48Å
410S96.9Very high97Very high50 Ų5046.6 Ų46.635%0.3524%0.243SC..  trans-65.3161.216269.40000110.5D412 T413 L414S410-D412 VanDerWaalsContact C-N 3.25Å; S410-D412 PolarHBondContact O-N 3.49Å; S410-T413 PolarHBondContact O-N 3.4Å; S410-T413 PolarHBondContact OG-N 3.45Å; S410-T413 PolarHBondContact OG-OG1 3.39Å; S410-L414 WeakPolarHBondContact O-CB 3.35Å; S410-L414 PolarHBondContact O-N 3.31Å
411A98Very high96.7Very high4 Ų445.2 Ų45.23%0.03324%0.24CC..Hα-helixtrans-61.4-33.4177.600000113.3Q415 I429 D432 N434A411-Q415 VanDerWaalsContact O-CB 3.25Å; A411-Q415 WeakPolarHBondContact O-CB 2.82Å; A411-Q415 PolarHBondContact O-N 3.2Å; A411-I429 HydrophobicContact CB-CG1 4.45Å; A411-I429 HydrophobicContact CB-CG2 3.84Å; A411-D432 VanDerWaalsContact CB-C 3.47Å; A411-D432 WeakPolarHBondContact CB-OD1 3.34Å; A411-D432 PolarHBondContact N-OD1 3.5Å; A411-D432 VanDerWaalsContact N-OD1 3.09Å; A411-N434 WeakPolarHBondContact CA-OD1 3.5Å; A411-N434 PolarHBondContact O-ND2 3.08Å; A411-N434 PolarHBondContact O-OD1 2.93Å
412D98Very high96.2Very high111 Ų11146.9 Ų46.959%0.59425%0.254SS*.Hα-helixtrans-66-46.1175.2-75.7-71.9000111.9S410 Q415 E416S410-D412 VanDerWaalsContact C-N 3.25Å; S410-D412 PolarHBondContact O-N 3.49Å; D412-Q415 PolarHBondContact O-N 3.38Å; D412-E416 PolarHBondContact O-N 3.17Å
413T97.5Very high95.9Very high54 Ų5448.5 Ų48.533%0.33126%0.264SS..Hα-helixtrans-65.6-41.9177.7-54.80000111.4F409 S410 E416 K417F409-T413 HydrophobicContact CB-CG2 4.36Å; F409-T413 HydrophobicContact CD1-CG2 3.91Å; F409-T413 HydrophobicContact CG-CG2 4.42Å; S410-T413 PolarHBondContact O-N 3.4Å; S410-T413 PolarHBondContact OG-N 3.45Å; S410-T413 PolarHBondContact OG-OG1 3.39Å; T413-E416 PolarHBondContact O-N 3Å; T413-K417 WeakPolarHBondContact O-CG 3.21Å; T413-K417 PolarHBondContact O-N 3.13Å
414L98.1Very high95.8Very high1 Ų148.9 Ų48.91%0.00527%0.267CS..Hα-helixtrans-64.5-42.9176.1178.454.8000110.7L376 F409 S410 E416 K417 L418 N434 L453 I456 F457L376-L414 HydrophobicContact CD1-CD2 4.43Å; F409-L414 HydrophobicContact CB-CB 4.14Å; S410-L414 WeakPolarHBondContact O-CB 3.35Å; S410-L414 PolarHBondContact O-N 3.31Å; L414-E416 VanDerWaalsContact C-N 3.33Å; L414-E416 PolarHBondContact O-N 2.95Å; L414-K417 PolarHBondContact O-N 3.19Å; L414-L418 HydrophobicContact CD1-CD1 4.49Å; L414-L418 HydrophobicContact CD1-CG 4.31Å; L414-L418 HydrophobicContact CG-CD1 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.06Å; L414-L418 PolarHBondContact O-N 2.97Å; L414-N434 WeakPolarHBondContact CB-OD1 3.27Å; L414-N434 VanDerWaalsContact CD2-OD1 3.31Å; L414-N434 WeakPolarHBondContact CD2-OD1 3.46Å; L414-N434 WeakPolarHBondContact CG-OD1 3.38Å; L414-L453 HydrophobicContact CD1-CD2 4.27Å; L414-I456 HydrophobicContact CD1-CG2 3.93Å; L414-F457 HydrophobicContact CD1-CE2 3.85Å; L414-F457 HydrophobicContact CD1-CZ 4.28Å; L414-F457 HydrophobicContact CD2-CE2 4.48Å; L414-F457 HydrophobicContact CD2-CZ 4.35Å
415Q98.3Very high95.8Very high9 Ų948.9 Ų48.94%0.04227%0.267CS..Hα-helixtrans-62-39.5175.1-176.449.516.700112.4A411 D412 L418 R419 S427 I429 N434A411-Q415 VanDerWaalsContact O-CB 3.25Å; A411-Q415 WeakPolarHBondContact O-CB 2.82Å; A411-Q415 PolarHBondContact O-N 3.2Å; D412-Q415 PolarHBondContact O-N 3.38Å; Q415-L418 PolarHBondContact O-N 3.1Å; Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.45Å; Q415-S427 PolarHBondContact OE1-OG 2.99Å; Q415-I429 HydrophobicContact CB-CD1 3.87Å; Q415-I429 HydrophobicContact CB-CG1 4.34Å; Q415-I429 HydrophobicContact CG-CD1 4.17Å; Q415-N434 WeakPolarHBondContact CB-ND2 3.22Å
416E97.7Very high95.8Very high98 Ų9849 Ų4946%0.45826%0.264SS..Hα-helixtrans-59.7-46174.1-177.8176.1-167.200111.8D412 T413 L414 L418 R419 L420D412-E416 PolarHBondContact O-N 3.17Å; T413-E416 PolarHBondContact O-N 3Å; L414-E416 VanDerWaalsContact C-N 3.33Å; L414-E416 PolarHBondContact O-N 2.95Å; E416-L418 PolarHBondContact O-N 3.12Å; E416-R419 PolarHBondContact O-N 3.45Å; E416-L420 HydrophobicContact CG-CD1 4.15Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 3.12Å; E416-L420 VanDerWaalsContact O-N 3.15Å
417K97.1Very high95.9Very high79 Ų7948.2 Ų48.234%0.34326%0.258SS..Hα-helixtrans-62.2-42.9176.3-70.2-179.6178.7-71.50112.1F409 T413 L414 R419 L420 A421 I456F409-K417 HydrophobicContact CD1-CD 4.46Å; F409-K417 HydrophobicContact CD2-CD 4.47Å; F409-K417 HydrophobicContact CE1-CD 4.17Å; F409-K417 HydrophobicContact CE2-CD 4.16Å; F409-K417 HydrophobicContact CZ-CD 3.99Å; T413-K417 WeakPolarHBondContact O-CG 3.21Å; T413-K417 PolarHBondContact O-N 3.13Å; L414-K417 PolarHBondContact O-N 3.19Å; K417-R419 VanDerWaalsContact C-N 3.32Å; K417-R419 PolarHBondContact O-N 2.88Å; K417-L420 CarbonylContact O-C 3.14Å; K417-L420 PolarHBondContact O-N 3.46Å; K417-A421 PolarHBondContact O-N 3.17Å; K417-I456 HydrophobicContact CB-CD1 3.92Å; K417-I456 HydrophobicContact CB-CG1 4.08Å; K417-I456 HydrophobicContact CB-CG2 4.16Å; K417-I456 HydrophobicContact CD-CG2 3.81Å
418L97.7Very high96.1Very high1 Ų146.3 Ų46.31%0.00524%0.236CC..Hα-helixtrans-60.1-38.8175-72.8171.8000112.4L414 Q415 E416 L420 P424 I425 L453 I456L414-L418 HydrophobicContact CD1-CD1 4.49Å; L414-L418 HydrophobicContact CD1-CG 4.31Å; L414-L418 HydrophobicContact CG-CD1 4.23Å; L414-L418 WeakPolarHBondContact O-CG 3.06Å; L414-L418 PolarHBondContact O-N 2.97Å; Q415-L418 PolarHBondContact O-N 3.1Å; E416-L418 PolarHBondContact O-N 3.12Å; L418-L420 VanDerWaalsContact C-N 3.27Å; L418-L420 PolarHBondContact O-N 3.19Å; L418-P424 WeakPolarHBondContact O-CA 3.23Å; L418-I425 CarbonylContact C-O 3.6Å; L418-I425 HydrophobicContact CB-CB 4.23Å; L418-I425 HydrophobicContact CD2-CB 4.19Å; L418-I425 HydrophobicContact CD2-CD1 3.89Å; L418-I425 PolarHBondContact O-N 3.17Å; L418-L453 HydrophobicContact CD2-CD2 3.89Å; L418-L453 HydrophobicContact CD2-CG 4.31Å; L418-I456 HydrophobicContact CD2-CD1 3.86Å; L418-I456 HydrophobicContact CG-CD1 4.26Å
419R96.1Very high96.3Very high114 Ų11445.2 Ų45.243%0.4323%0.234SC..Hα-helixtrans-67.2-27.2174.5-70.2-167.6-52.4-98.3-2113.4Q415 E416 K417 P424 I426Q415-R419 WeakPolarHBondContact O-CG 3.35Å; Q415-R419 PolarHBondContact O-N 3.45Å; E416-R419 PolarHBondContact O-N 3.45Å; K417-R419 VanDerWaalsContact C-N 3.32Å; K417-R419 PolarHBondContact O-N 2.88Å; R419-P424 WeakPolarHBondContact O-CB 3.26Å; R419-P424 WeakPolarHBondContact O-CG 3.32Å; R419-I426 HydrophobicContact CG-CD1 3.66Å
420L91.2Very high96.3Very high126 Ų12647.3 Ų47.366%0.6624%0.243SC*.Hα-helixtrans-96.9-2.6-176.8-66.1177.7000113.5E416 K417 L418E416-L420 HydrophobicContact CG-CD1 4.15Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 3.12Å; E416-L420 VanDerWaalsContact O-N 3.15Å; K417-L420 CarbonylContact O-C 3.14Å; K417-L420 PolarHBondContact O-N 3.46Å; L418-L420 VanDerWaalsContact C-N 3.27Å; L418-L420 PolarHBondContact O-N 3.19Å
421A91.4Very high96.2Very high12 Ų1251.2 Ų51.210%0.09926%0.26CS..SBendtrans-58.2162.1172.900000112.1K417 T423K417-A421 PolarHBondContact O-N 3.17Å; A421-T423 VanDerWaalsContact C-N 3.28Å; A421-T423 PolarHBondContact O-N 3.38Å
422A88Confident96.1Very high36 Ų3655.9 Ų55.930%0.29828%0.284SS..SBendtrans-51-49.4178.400000111.6E70E70-A422 HydrophobicContact CG-CB 4.28Å; E70-A422 WeakPolarHBondContact OE1-CB 3.42Å
423T93.5Very high96.1Very high34 Ų3451.7 Ų51.721%0.20926%0.264CS..SBendtrans-106.3107.2162.6-59.70000108.4I79 A421 I425 T448I79-T423 HydrophobicContact CD1-CG2 3.88Å; I79-T423 HydrophobicContact CG1-CG2 3.83Å; A421-T423 VanDerWaalsContact C-N 3.28Å; A421-T423 PolarHBondContact O-N 3.38Å; T423-I425 PolarHBondContact O-N 3.28Å; T423-T448 HydrophobicContact CG2-CG2 4.34Å
424P96.1Very high96.1Very high10 Ų1049.1 Ų49.17%0.06525%0.248CC..  trans-56.9138.3179.7-2936.1000113R77 V78 I79 L418 R419R77-P424 WeakPolarHBondContact O-CD 3.45Å; V78-P424 CarbonylContact C-O 3.51Å; V78-P424 WeakPolarHBondContact CA-O 3.24Å; V78-P424 HydrophobicContact CG1-CB 4.35Å; V78-P424 HydrophobicContact CG2-CB 4.23Å; I79-P424 PolarHBondContact N-O 3.17Å; L418-P424 WeakPolarHBondContact O-CA 3.23Å; R419-P424 WeakPolarHBondContact O-CB 3.26Å; R419-P424 WeakPolarHBondContact O-CG 3.32Å
425I98.5Very high96.1Very high0 Ų049.3 Ų49.30%025%0.248CC..EExtended strand (participates in β ladder)trans-117127.5176.1-59.4158.4000108.8I79 A81 L418 T423 L436 I449I79-I425 HydrophobicContact CB-CG1 4.04Å; I79-I425 HydrophobicContact CD1-CG1 4.02Å; I79-I425 HydrophobicContact CG2-CG2 4.43Å; A81-I425 HydrophobicContact CB-CG2 4.12Å; L418-I425 CarbonylContact C-O 3.6Å; L418-I425 HydrophobicContact CB-CB 4.23Å; L418-I425 HydrophobicContact CD2-CB 4.19Å; L418-I425 HydrophobicContact CD2-CD1 3.89Å; L418-I425 PolarHBondContact O-N 3.17Å; T423-I425 PolarHBondContact O-N 3.28Å; I425-L436 HydrophobicContact CG2-CD2 4.17Å; I425-I449 HydrophobicContact CD1-CB 4.36Å; I425-I449 HydrophobicContact CD1-CG1 4.06Å; I425-I449 HydrophobicContact CD1-CG2 4.42Å; I425-I449 HydrophobicContact CG1-CG1 4.48Å
426I98.5Very high96.1Very high35 Ų3548.9 Ų48.918%0.17925%0.247CC..EExtended strand (participates in β ladder)trans-110105-179.1-49.6-54.2000110.4V78 I79 A81 T82 L90 R419V78-I426 HydrophobicContact CG1-CD1 4.14Å; V78-I426 HydrophobicContact CG1-CG1 3.43Å; V78-I426 VanDerWaalsContact CG1-CG1 3.43Å; I79-I426 PolarHBondContact O-N 3Å; A81-I426 CarbonylContact C-O 3.56Å; A81-I426 VanDerWaalsContact CA-O 3.23Å; A81-I426 WeakPolarHBondContact CA-O 3.34Å; A81-I426 VanDerWaalsContact CB-O 3.31Å; A81-I426 WeakPolarHBondContact CB-O 3.49Å; A81-I426 PolarHBondContact N-O 3.07Å; T82-I426 HydrophobicContact CG2-CB 4.17Å; T82-I426 HydrophobicContact CG2-CG2 3.61Å; T82-I426 WeakPolarHBondContact CG2-O 3.08Å; T82-I426 PolarHBondContact N-O 3.31Å; L90-I426 HydrophobicContact CD1-CB 4.4Å; L90-I426 HydrophobicContact CD1-CG1 4.36Å; L90-I426 HydrophobicContact CD2-CG1 4.24Å; R419-I426 HydrophobicContact CG-CD1 3.66Å
427S98.2Very high96.2Very high11 Ų1144.2 Ų44.28%0.07723%0.225CC..EExtended strand (participates in β ladder)trans-96166.5175.275.70000112.7Q415 N434 Y435Q415-S427 PolarHBondContact OE1-OG 2.99Å; S427-N434 WeakPolarHBondContact OG-CB 3.37Å; S427-N434 PolarHBondContact OG-ND2 3.37Å; S427-N434 VanDerWaalsContact OG-ND2 3.13Å; S427-Y435 WeakPolarHBondContact CB-O 3.23Å
428R97.6Very high96.3Very high60 Ų6040.5 Ų40.523%0.22621%0.209CC..EExtended strand (participates in β ladder)trans-87.6142.7161.2-69.4-175.9-74.7120.5-6.8109.2T82 D383 Y435 D437T82-R428 WeakPolarHBondContact O-CD 3.4Å; T82-R428 PolarHBondContact O-NE 3.12Å; D383-R428 IonicContact OD2-CZ 2.94Å; D383-R428 VanDerWaalsContact OD2-CZ 3.23Å; D383-R428 IonicContact OD2-NH1 2.74Å; D383-R428 PolarHBondContact OD2-NH1 2.89Å; D383-R428 IonicContact OD2-NH2 2.91Å; D383-R428 PolarHBondContact OD2-NH2 3.3Å; R428-Y435 PolarHBondContact N-O 3.26Å; R428-Y435 PolarHBondContact O-N 3.46Å; R428-D437 IonicContact CZ-OD2 2.61Å; R428-D437 IonicContact NH2-OD2 2.72Å; R428-D437 PolarHBondContact NH2-OD2 3.05Å
429I97.8Very high96.3Very high71 Ų7140.6 Ų40.636%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-99.1127.3168.8-61.3174.1000108.3A411 Q415 C433A411-I429 HydrophobicContact CB-CG1 4.45Å; A411-I429 HydrophobicContact CB-CG2 3.84Å; Q415-I429 HydrophobicContact CB-CD1 3.87Å; Q415-I429 HydrophobicContact CB-CG1 4.34Å; Q415-I429 HydrophobicContact CG-CD1 4.17Å; I429-C433 WeakPolarHBondContact CA-O 3.42Å
430K96.2Very high96.4Very high77 Ų7735.6 Ų35.634%0.33519%0.191SC..EExtended strand (participates in β ladder)trans-148.6133.1176.7178.5-175174.1-167.50108.1D383 D432 C433 Y435D383-K430 IonicContact OD1-NZ 3.2Å; K430-D432 VanDerWaalsContact C-N 3.27Å; K430-D432 PolarHBondContact O-N 3.14Å; K430-C433 PolarHBondContact N-O 3.29Å; K430-C433 PolarHBondContact O-N 2.93Å; K430-Y435 HydrophobicContact CB-CD2 3.86Å; K430-Y435 HydrophobicContact CB-CE2 3.7Å; K430-Y435 HydrophobicContact CD-CE1 4.26Å; K430-Y435 HydrophobicContact CD-CE2 4.21Å; K430-Y435 HydrophobicContact CG-CE2 4.2Å; K430-Y435 WeakPolarHBondContact O-CE2 3.49Å
431D94Very high96.7Very high132 Ų13229.7 Ų29.771%0.70616%0.16SC*.THydrogen-bonded Turntrans49.244.3177.8-55-40.3000113.9C433D431-C433 PolarHBondContact O-N 3.36Å
432D96.1Very high97Very high102 Ų10231 Ų3155%0.54517%0.171SC..THydrogen-bonded Turntrans53.233-175.3-16332.3000114.3A411 K430A411-D432 VanDerWaalsContact CB-C 3.47Å; A411-D432 WeakPolarHBondContact CB-OD1 3.34Å; A411-D432 PolarHBondContact N-OD1 3.5Å; A411-D432 VanDerWaalsContact N-OD1 3.09Å; K430-D432 VanDerWaalsContact C-N 3.27Å; K430-D432 PolarHBondContact O-N 3.14Å
433C97.8Very high97.4Very high23 Ų2333.4 Ų33.416%0.15518%0.178CC..EExtended strand (participates in β ladder)trans-126.5150.2171.6-61.20000111L404 I429 K430 D431 Y435L404-C433 CarbonylContact O-C 3.58Å; L404-C433 VanDerWaalsContact O-CA 3.27Å; L404-C433 WeakPolarHBondContact O-CA 3.5Å; L404-C433 WeakPolarHBondContact O-CB 3.38Å; I429-C433 WeakPolarHBondContact CA-O 3.42Å; K430-C433 PolarHBondContact N-O 3.29Å; K430-C433 PolarHBondContact O-N 2.93Å; D431-C433 PolarHBondContact O-N 3.36Å; C433-Y435 HydrophobicContact CB-CD2 4.12Å; C433-Y435 HydrophobicContact CB-CE2 3.77Å
434N98.5Very high97.5Very high1 Ų139 Ų391%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-90.3110.3170.8-63.5104.6000109.7L404 A411 L414 Q415 S427L404-N434 HydrophobicContact CB-CB 4.22Å; L404-N434 WeakPolarHBondContact CB-O 3.23Å; L404-N434 PolarHBondContact N-O 3.37Å; L404-N434 PolarHBondContact O-N 3.3Å; A411-N434 WeakPolarHBondContact CA-OD1 3.5Å; A411-N434 PolarHBondContact O-ND2 3.08Å; A411-N434 PolarHBondContact O-OD1 2.93Å; L414-N434 WeakPolarHBondContact CB-OD1 3.27Å; L414-N434 VanDerWaalsContact CD2-OD1 3.31Å; L414-N434 WeakPolarHBondContact CD2-OD1 3.46Å; L414-N434 WeakPolarHBondContact CG-OD1 3.38Å; Q415-N434 WeakPolarHBondContact CB-ND2 3.22Å; S427-N434 WeakPolarHBondContact OG-CB 3.37Å; S427-N434 PolarHBondContact OG-ND2 3.37Å; S427-N434 VanDerWaalsContact OG-ND2 3.13Å
435Y98.5Very high97.6Very high4 Ų439.5 Ų39.52%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-88.4114.1178.6-79.7-119000109.4E381 A401 A403 S427 R428 K430 C433E381-Y435 HydrophobicContact CB-CE1 4.12Å; E381-Y435 VanDerWaalsContact CD-OH 3.29Å; E381-Y435 WeakPolarHBondContact OE2-CE1 3.45Å; E381-Y435 VanDerWaalsContact OE2-CZ 3.3Å; E381-Y435 PolarHBondContact OE2-OH 3.37Å; A401-Y435 HydrophobicContact CB-CD1 3.66Å; A401-Y435 HydrophobicContact CB-CG 4.36Å; A403-Y435 HydrophobicContact CB-CD1 4.45Å; A403-Y435 HydrophobicContact CB-CD2 4.28Å; A403-Y435 HydrophobicContact CB-CE1 4.18Å; A403-Y435 HydrophobicContact CB-CE2 4.05Å; A403-Y435 HydrophobicContact CB-CG 4.48Å; S427-Y435 WeakPolarHBondContact CB-O 3.23Å; R428-Y435 PolarHBondContact N-O 3.26Å; R428-Y435 PolarHBondContact O-N 3.46Å; K430-Y435 HydrophobicContact CB-CD2 3.86Å; K430-Y435 HydrophobicContact CB-CE2 3.7Å; K430-Y435 HydrophobicContact CD-CE1 4.26Å; K430-Y435 HydrophobicContact CD-CE2 4.21Å; K430-Y435 HydrophobicContact CG-CE2 4.2Å; K430-Y435 WeakPolarHBondContact O-CE2 3.49Å; C433-Y435 HydrophobicContact CB-CD2 4.12Å; C433-Y435 HydrophobicContact CB-CE2 3.77Å
436L98.7Very high97.6Very high1 Ų139.7 Ų39.71%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-91.494.8168.3-52.8-173.3000109A81 L366 L370 A401 V402 L404 I425 V438 I441 I449A81-L436 HydrophobicContact CB-CB 4.16Å; A81-L436 HydrophobicContact CB-CD2 3.64Å; A81-L436 HydrophobicContact CB-CG 4.49Å; L366-L436 HydrophobicContact CD2-CD1 4.43Å; L370-L436 HydrophobicContact CD1-CD1 4.41Å; A401-L436 CarbonylContact C-O 3.6Å; A401-L436 VanDerWaalsContact CA-O 3.29Å; A401-L436 WeakPolarHBondContact CA-O 3.45Å; V402-L436 HydrophobicContact CB-CB 4.34Å; V402-L436 PolarHBondContact N-O 2.99Å; V402-L436 PolarHBondContact O-N 3.31Å; L404-L436 HydrophobicContact CD1-CD1 3.65Å; L404-L436 HydrophobicContact CD1-CG 3.96Å; L404-L436 HydrophobicContact CG-CD1 4.35Å; L404-L436 HydrophobicContact CG-CG 4.36Å; I425-L436 HydrophobicContact CG2-CD2 4.17Å; L436-V438 PolarHBondContact O-N 3.03Å; L436-I441 HydrophobicContact CB-CD1 4.04Å; L436-I449 HydrophobicContact CD1-CG2 3.96Å
437D98.6Very high97.6Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-75.4113.7178.5-173.3-39.8000109.8A81 G83 S385 T399 R428 R439A81-D437 PolarHBondContact O-N 3.12Å; G83-D437 WeakPolarHBondContact CA-OD2 3.4Å; S385-D437 PolarHBondContact OG-OD1 3.3Å; S385-D437 VanDerWaalsContact OG-OD1 3.08Å; S385-D437 PolarHBondContact OG-OD2 3.42Å; T399-D437 WeakPolarHBondContact CG2-OD2 3.21Å; T399-D437 PolarHBondContact OG1-OD1 2.94Å; R428-D437 IonicContact CZ-OD2 2.61Å; R428-D437 IonicContact NH2-OD2 2.72Å; R428-D437 PolarHBondContact NH2-OD2 3.05Å; D437-R439 PolarHBondContact O-N 3.16Å; D437-R439 WeakPolarHBondContact OD1-CB 3.46Å; D437-R439 PolarHBondContact OD1-N 3Å; D437-R439 VanDerWaalsContact OD1-N 3.13Å
438V98.6Very high97.5Very high0 Ų041.2 Ų41.20%022%0.219CC..G310 helixtrans-76.4-7-169.3-56.60000113.8C359 K362 A363 L366 Y400 V402 L436 T440 I441C359-V438 HydrophobicContact CB-CG2 4.17Å; C359-V438 VanDerWaalsContact O-CG2 3.22Å; C359-V438 WeakPolarHBondContact O-CG2 3.49Å; K362-V438 HydrophobicContact CB-CB 4.07Å; K362-V438 HydrophobicContact CB-CG2 3.79Å; K362-V438 WeakPolarHBondContact CE-O 3.03Å; K362-V438 PolarHBondContact NZ-O 3.19Å; A363-V438 HydrophobicContact CB-CG1 4.09Å; A363-V438 HydrophobicContact CB-CG2 4.17Å; L366-V438 HydrophobicContact CD2-CG1 4.1Å; Y400-V438 WeakPolarHBondContact O-CG2 3.36Å; Y400-V438 PolarHBondContact O-N 3.43Å; V402-V438 HydrophobicContact CG2-CG1 4.27Å; L436-V438 PolarHBondContact O-N 3.03Å; V438-T440 PolarHBondContact O-N 2.89Å; V438-I441 PolarHBondContact O-N 3.01Å
439R98.1Very high97.5Very high3 Ų338.3 Ų38.31%0.01121%0.208CC..G310 helixtrans-50.5-44.7174175.977.961.1-170.2-3.6111.8V85 M351 Q354 S385 P398 D437V85-R439 HydrophobicContact CG2-CG 4.1Å; M351-R439 WeakPolarHBondContact O-CD 3.49Å; M351-R439 PolarHBondContact O-NH1 3.03Å; Q354-R439 VanDerWaalsContact CB-NH1 3.33Å; Q354-R439 PolarHBondContact NE2-O 3.44Å; Q354-R439 PolarHBondContact O-NH1 3.14Å; S385-R439 VanDerWaalsContact OG-CB 3.26Å; S385-R439 WeakPolarHBondContact OG-CB 3.49Å; S385-R439 PolarHBondContact OG-NE 3.45Å; P398-R439 PolarHBondContact O-NH2 3.4Å; D437-R439 PolarHBondContact O-N 3.16Å; D437-R439 WeakPolarHBondContact OD1-CB 3.46Å; D437-R439 PolarHBondContact OD1-N 3Å; D437-R439 VanDerWaalsContact OD1-N 3.13Å
440T98.3Very high97.6Very high9 Ų937 Ų376%0.05520%0.2CC..G310 helixtrans-105.88.4-170.6530000113.7N80 G83 V85 M351 V438N80-T440 CarbonylContact O-C 3.58Å; N80-T440 VanDerWaalsContact O-C 3.29Å; N80-T440 VanDerWaalsContact O-CB 3.28Å; N80-T440 WeakPolarHBondContact O-CB 3.43Å; N80-T440 VanDerWaalsContact O-O 3.06Å; N80-T440 PolarHBondContact O-OG1 2.98Å; G83-T440 PolarHBondContact N-OG1 3.16Å; G83-T440 VanDerWaalsContact N-OG1 3.16Å; V85-T440 HydrophobicContact CG2-CG2 4.26Å; M351-T440 HydrophobicContact SD-CG2 3.93Å; V438-T440 PolarHBondContact O-N 2.89Å
441I98.4Very high97.6Very high2 Ų238.5 Ų38.51%0.0121%0.209CC..  trans-103.3124.8176.9-56.3174.2000108.1I79 A81 K362 L366 L436 V438 E445 F446 I449I79-I441 HydrophobicContact CG2-CG1 4.49Å; A81-I441 HydrophobicContact CB-CD1 3.71Å; A81-I441 HydrophobicContact CB-CG1 4.09Å; K362-I441 VanDerWaalsContact CE-O 3.25Å; K362-I441 WeakPolarHBondContact CE-O 3.33Å; K362-I441 PolarHBondContact NZ-O 2.69Å; L366-I441 HydrophobicContact CD2-CD1 4.26Å; L436-I441 HydrophobicContact CB-CD1 4.04Å; V438-I441 PolarHBondContact O-N 3.01Å; I441-E445 HydrophobicContact CG2-CB 4.05Å; I441-F446 HydrophobicContact CB-CE1 4.45Å; I441-F446 HydrophobicContact CG2-CD1 3.84Å; I441-F446 HydrophobicContact CG2-CE1 3.71Å; I441-I449 HydrophobicContact CD1-CD1 4.09Å; I441-I449 HydrophobicContact CG2-CD1 3.56Å
442A96.5Very high97.7Very high40 Ų4032.6 Ų32.633%0.33118%0.178SC..  trans-77.7153.3174.300000110.9E444 E445 F446A442-E444 WeakPolarHBondContact CB-OE2 3.49Å; A442-E444 PolarHBondContact O-N 3.49Å; A442-E445 HydrophobicContact CB-CG 4.1Å; A442-E445 PolarHBondContact N-OE2 2.98Å; A442-E445 WeakPolarHBondContact O-CB 3.39Å; A442-E445 PolarHBondContact O-N 3.47Å; A442-F446 WeakPolarHBondContact O-CD1 3.39Å
443I96.6Very high97.7Very high87 Ų8727.7 Ų27.745%0.44615%0.152SC..G310 helixtrans-61-36.6-178.8-67.7173.7000110.1E445 F446I443-E445 PolarHBondContact O-N 2.71Å; I443-E445 VanDerWaalsContact O-N 3.1Å; I443-F446 HydrophobicContact CG1-CZ 4.41Å; I443-F446 WeakPolarHBondContact O-CB 3.4Å; I443-F446 WeakPolarHBondContact O-CG 3.49Å; I443-F446 PolarHBondContact O-N 3.08Å; I443-F446 VanDerWaalsContact O-N 3.12Å
444E96.4Very high97.7Very high151 Ų15129.9 Ų29.971%0.70616%0.16SC*.G310 helixtrans-63.7-15.6177.9-56.174.5-161.300112.9A442A442-E444 WeakPolarHBondContact CB-OE2 3.49Å; A442-E444 PolarHBondContact O-N 3.49Å
445E97.9Very high97.4Very high21 Ų2135.1 Ų35.110%0.09818%0.184CC..G310 helixtrans-88.9-11.8179-63.1-179139.700113.1R77 I79 I441 A442 I443 A447 T448 I449R77-E445 IonicContact CZ-OE1 2.96Å; R77-E445 IonicContact NE-OE1 2.68Å; R77-E445 VanDerWaalsContact NH2-CG 3.31Å; R77-E445 IonicContact NH2-OE1 3.18Å; R77-E445 PolarHBondContact NH2-OE1 3.44Å; I79-E445 HydrophobicContact CD1-CB 4.2Å; I79-E445 HydrophobicContact CG1-CB 4.44Å; I79-E445 HydrophobicContact CG1-CG 4.39Å; I441-E445 HydrophobicContact CG2-CB 4.05Å; A442-E445 HydrophobicContact CB-CG 4.1Å; A442-E445 PolarHBondContact N-OE2 2.98Å; A442-E445 WeakPolarHBondContact O-CB 3.39Å; A442-E445 PolarHBondContact O-N 3.47Å; I443-E445 PolarHBondContact O-N 2.71Å; I443-E445 VanDerWaalsContact O-N 3.1Å; E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 2.8Å; E445-T448 PolarHBondContact O-N 2.89Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 3.2Å
446F98.4Very high97.2Very high3 Ų336 Ų361%0.01319%0.189CC..Hα-helixtrans-61.9-41.6-176.3-69.33.3000112.3K362 E365 L366 M369 I441 A442 I443 I449 Q450K362-F446 HydrophobicContact CB-CZ 4.1Å; K362-F446 HydrophobicContact CG-CZ 4.44Å; E365-F446 HydrophobicContact CB-CE2 4.01Å; E365-F446 HydrophobicContact CG-CD2 4.05Å; E365-F446 HydrophobicContact CG-CE2 3.93Å; L366-F446 HydrophobicContact CB-CD1 4.37Å; L366-F446 HydrophobicContact CB-CD2 4.16Å; L366-F446 HydrophobicContact CB-CE1 4.23Å; L366-F446 HydrophobicContact CB-CE2 4.02Å; L366-F446 HydrophobicContact CB-CG 4.34Å; L366-F446 HydrophobicContact CB-CZ 4.05Å; L366-F446 HydrophobicContact CD1-CB 4.07Å; L366-F446 HydrophobicContact CD1-CD1 3.99Å; L366-F446 HydrophobicContact CD1-CD2 4.49Å; L366-F446 HydrophobicContact CD1-CG 3.94Å; L366-F446 HydrophobicContact CD2-CD1 4.48Å; L366-F446 HydrophobicContact CD2-CE1 4.39Å; M369-F446 HydrophobicContact CE-CB 4.07Å; M369-F446 HydrophobicContact SD-CB 3.73Å; M369-F446 HydrophobicContact SD-CD2 4.17Å; M369-F446 HydrophobicContact SD-CG 4.46Å; I441-F446 HydrophobicContact CB-CE1 4.45Å; I441-F446 HydrophobicContact CG2-CD1 3.84Å; I441-F446 HydrophobicContact CG2-CE1 3.71Å; A442-F446 WeakPolarHBondContact O-CD1 3.39Å; I443-F446 HydrophobicContact CG1-CZ 4.41Å; I443-F446 WeakPolarHBondContact O-CB 3.4Å; I443-F446 WeakPolarHBondContact O-CG 3.49Å; I443-F446 PolarHBondContact O-N 3.08Å; I443-F446 VanDerWaalsContact O-N 3.12Å; F446-I449 PolarHBondContact O-N 2.81Å; F446-Q450 WeakPolarHBondContact O-CB 3.29Å; F446-Q450 PolarHBondContact O-N 3.49Å
447A97.7Very high97Very high43 Ų4336.5 Ų36.536%0.35519%0.191SC..Hα-helixtrans-60.9-45.917600000111.4E445 I449 Q450 E451E445-A447 VanDerWaalsContact C-N 3.34Å; E445-A447 PolarHBondContact O-N 2.8Å; A447-I449 VanDerWaalsContact C-N 3.33Å; A447-I449 PolarHBondContact O-N 3.43Å; A447-Q450 WeakPolarHBondContact O-CB 3.33Å; A447-Q450 PolarHBondContact O-N 2.95Å; A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 WeakPolarHBondContact O-CG 3.48Å; A447-E451 PolarHBondContact O-N 3.37Å
448T97Very high96.4Very high35 Ų3544.9 Ų44.922%0.21524%0.236CC..Hα-helixtrans-63.6-37.1177.8-54.10000112.4I79 T423 E445 S452I79-T448 HydrophobicContact CD1-CG2 3.88Å; T423-T448 HydrophobicContact CG2-CG2 4.34Å; E445-T448 PolarHBondContact O-N 2.89Å; T448-S452 VanDerWaalsContact O-CB 3.32Å; T448-S452 WeakPolarHBondContact O-CB 3.28Å; T448-S452 PolarHBondContact O-N 3.08Å; T448-S452 PolarHBondContact O-OG 3.4Å
449I98.3Very high96.3Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-64.5-46.2174.4-67.1168000110.5I79 L366 L370 I425 L436 I441 E445 F446 A447 S452 L453I79-I449 HydrophobicContact CD1-CG1 4Å; I79-I449 HydrophobicContact CG2-CD1 4.1Å; I79-I449 HydrophobicContact CG2-CG1 4.29Å; L366-I449 HydrophobicContact CD1-CB 4.48Å; L366-I449 HydrophobicContact CD1-CD1 4.43Å; L366-I449 HydrophobicContact CD1-CG2 4.26Å; L366-I449 HydrophobicContact CD2-CD1 4.43Å; L370-I449 HydrophobicContact CD1-CG2 4.38Å; L370-I449 HydrophobicContact CD2-CG2 4.38Å; I425-I449 HydrophobicContact CD1-CB 4.36Å; I425-I449 HydrophobicContact CD1-CG1 4.06Å; I425-I449 HydrophobicContact CD1-CG2 4.42Å; I425-I449 HydrophobicContact CG1-CG1 4.48Å; L436-I449 HydrophobicContact CD1-CG2 3.96Å; I441-I449 HydrophobicContact CD1-CD1 4.09Å; I441-I449 HydrophobicContact CG2-CD1 3.56Å; E445-I449 WeakPolarHBondContact O-CG1 3.4Å; E445-I449 PolarHBondContact O-N 3.2Å; F446-I449 PolarHBondContact O-N 2.81Å; A447-I449 VanDerWaalsContact C-N 3.33Å; A447-I449 PolarHBondContact O-N 3.43Å; I449-S452 PolarHBondContact O-N 3.14Å; I449-L453 HydrophobicContact CG2-CD1 3.93Å; I449-L453 PolarHBondContact O-N 2.87Å
450Q97.9Very high96.2Very high42 Ų4249.5 Ų49.520%0.19626%0.26CS..Hα-helixtrans-60.7-50178.6-175.9-173.435.800111.5M369 L370 F446 A447 S452 L453 Q454M369-Q450 HydrophobicContact CE-CB 4.4Å; M369-Q450 PolarHBondContact O-NE2 3.42Å; L370-Q450 HydrophobicContact CD2-CB 3.97Å; L370-Q450 HydrophobicContact CD2-CG 4.23Å; F446-Q450 WeakPolarHBondContact O-CB 3.29Å; F446-Q450 PolarHBondContact O-N 3.49Å; A447-Q450 WeakPolarHBondContact O-CB 3.33Å; A447-Q450 PolarHBondContact O-N 2.95Å; Q450-S452 VanDerWaalsContact C-N 3.34Å; Q450-S452 PolarHBondContact O-N 2.96Å; Q450-L453 PolarHBondContact O-N 3.46Å; Q450-Q454 WeakPolarHBondContact O-CG 3.5Å; Q450-Q454 PolarHBondContact O-N 2.84Å
451E96.3Very high96.1Very high109 Ų10951.7 Ų51.751%0.50927%0.271SS..Hα-helixtrans-57.4-46.6177.2-72.6169.2178.600111.2A447 L453 Q454 E455A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 WeakPolarHBondContact O-CG 3.48Å; A447-E451 PolarHBondContact O-N 3.37Å; E451-L453 PolarHBondContact O-N 3.17Å; E451-Q454 PolarHBondContact O-N 3.02Å; E451-E455 PolarHBondContact O-N 3.21Å
452S96.1Very high95.9Very high8 Ų854.6 Ų54.66%0.05629%0.287CS..Hα-helixtrans-61.3-42.4179-60.90000112.3T448 I449 Q450 E455 I456T448-S452 VanDerWaalsContact O-CB 3.32Å; T448-S452 WeakPolarHBondContact O-CB 3.28Å; T448-S452 PolarHBondContact O-N 3.08Å; T448-S452 PolarHBondContact O-OG 3.4Å; I449-S452 PolarHBondContact O-N 3.14Å; Q450-S452 VanDerWaalsContact C-N 3.34Å; Q450-S452 PolarHBondContact O-N 2.96Å; S452-E455 PolarHBondContact O-N 3.23Å; S452-I456 WeakPolarHBondContact O-CD1 3.41Å; S452-I456 VanDerWaalsContact O-CG1 3.23Å; S452-I456 WeakPolarHBondContact O-CG1 3.34Å; S452-I456 PolarHBondContact O-N 3.48Å; S452-I456 VanDerWaalsContact O-N 3.11Å
453L97.7Very high95.9Very high0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-69.4-39176.8-76.3165.4000111.6L370 I373 L376 L404 L414 L418 I449 Q450 E451 E455 I456 F457L370-L453 HydrophobicContact CD1-CD1 3.79Å; L370-L453 HydrophobicContact CD2-CD1 3.65Å; L370-L453 HydrophobicContact CG-CD1 4.31Å; I373-L453 HydrophobicContact CD1-CB 3.48Å; I373-L453 VanDerWaalsContact CD1-CB 3.48Å; L376-L453 HydrophobicContact CD2-CD1 4.24Å; L404-L453 HydrophobicContact CD1-CD1 3.83Å; L404-L453 HydrophobicContact CD1-CD2 4.23Å; L414-L453 HydrophobicContact CD1-CD2 4.27Å; L418-L453 HydrophobicContact CD2-CD2 3.89Å; L418-L453 HydrophobicContact CD2-CG 4.31Å; I449-L453 HydrophobicContact CG2-CD1 3.93Å; I449-L453 PolarHBondContact O-N 2.87Å; Q450-L453 PolarHBondContact O-N 3.46Å; E451-L453 PolarHBondContact O-N 3.17Å; L453-E455 VanDerWaalsContact C-N 3.34Å; L453-E455 PolarHBondContact O-N 2.69Å; L453-I456 PolarHBondContact O-N 3.33Å; L453-I456 VanDerWaalsContact O-N 3.17Å; L453-F457 HydrophobicContact CD2-CD2 4.45Å; L453-F457 HydrophobicContact CD2-CE2 4.05Å; L453-F457 VanDerWaalsContact O-CD2 3.26Å; L453-F457 WeakPolarHBondContact O-CD2 3.48Å; L453-F457 PolarHBondContact O-N 3.17Å
454Q96.2Very high95.8Very high69 Ų6953.5 Ų53.532%0.32227%0.273SS..Hα-helixtrans-59.7-44.4174.1-74.3172.3-14.300111.4I373 Q450 E451 I456 F457 N458I373-Q454 HydrophobicContact CD1-CG 3.93Å; I373-Q454 HydrophobicContact CG1-CG 3.94Å; Q450-Q454 WeakPolarHBondContact O-CG 3.5Å; Q450-Q454 PolarHBondContact O-N 2.84Å; E451-Q454 PolarHBondContact O-N 3.02Å; Q454-I456 VanDerWaalsContact C-N 3.3Å; Q454-I456 PolarHBondContact O-N 3.29Å; Q454-F457 PolarHBondContact O-N 3.24Å; Q454-N458 VanDerWaalsContact O-CB 3.29Å; Q454-N458 WeakPolarHBondContact O-CB 3.15Å; Q454-N458 PolarHBondContact O-N 2.93Å; Q454-N458 PolarHBondContact O-ND2 3.05Å; Q454-N458 VanDerWaalsContact O-ND2 3.08Å
455E92.9Very high95.8Very high110 Ų11046.5 Ų46.551%0.51424%0.242SC..Hα-helixtrans-61.9-34.4174.9-72.7-168176.500113.3K66 E451 S452 L453K66-E455 IonicContact NZ-OE1 3.58Å; K66-E455 IonicContact NZ-OE2 3.66Å; K66-E455 PolarHBondContact NZ-OE2 3.36Å; E451-E455 PolarHBondContact O-N 3.21Å; S452-E455 PolarHBondContact O-N 3.23Å; L453-E455 VanDerWaalsContact C-N 3.34Å; L453-E455 PolarHBondContact O-N 2.69Å
456I94.7Very high95.6Very high23 Ų2348.5 Ų48.512%0.11825%0.253CS..Hα-helixtrans-73-34.2-179.7-75.5167.3000112.3F409 L414 K417 L418 S452 L453 Q454F409-I456 HydrophobicContact CD2-CG2 4.45Å; F409-I456 HydrophobicContact CE2-CG2 3.94Å; L414-I456 HydrophobicContact CD1-CG2 3.93Å; K417-I456 HydrophobicContact CB-CD1 3.92Å; K417-I456 HydrophobicContact CB-CG1 4.08Å; K417-I456 HydrophobicContact CB-CG2 4.16Å; K417-I456 HydrophobicContact CD-CG2 3.81Å; L418-I456 HydrophobicContact CD2-CD1 3.86Å; L418-I456 HydrophobicContact CG-CD1 4.26Å; S452-I456 WeakPolarHBondContact O-CD1 3.41Å; S452-I456 VanDerWaalsContact O-CG1 3.23Å; S452-I456 WeakPolarHBondContact O-CG1 3.34Å; S452-I456 PolarHBondContact O-N 3.48Å; S452-I456 VanDerWaalsContact O-N 3.11Å; L453-I456 PolarHBondContact O-N 3.33Å; L453-I456 VanDerWaalsContact O-N 3.17Å; Q454-I456 VanDerWaalsContact C-N 3.3Å; Q454-I456 PolarHBondContact O-N 3.29Å
457F94.3Very high95.4Very high11 Ų1152.3 Ų52.35%0.04827%0.273CS..Hα-helixtrans-93.8-28.3-173.2-82.9-93000113.9I373 T374 E375 L376 S406 K408 F409 L414 L453 Q454I373-F457 HydrophobicContact CG2-CB 3.73Å; I373-F457 HydrophobicContact CG2-CD1 4.45Å; I373-F457 HydrophobicContact CG2-CD2 4.06Å; I373-F457 HydrophobicContact CG2-CG 3.82Å; T374-F457 WeakPolarHBondContact O-CD1 3.4Å; E375-F457 HydrophobicContact CB-CD1 4.08Å; E375-F457 HydrophobicContact CB-CE1 4.2Å; L376-F457 HydrophobicContact CB-CE1 4.14Å; L376-F457 HydrophobicContact CB-CE2 4.44Å; L376-F457 HydrophobicContact CB-CZ 4.09Å; L376-F457 HydrophobicContact CD1-CE1 4.41Å; L376-F457 HydrophobicContact CD1-CE2 3.84Å; L376-F457 HydrophobicContact CD1-CZ 3.59Å; L376-F457 HydrophobicContact CG-CZ 4.39Å; S406-F457 VanDerWaalsContact OG-CE1 3.23Å; S406-F457 WeakPolarHBondContact OG-CE1 3.24Å; K408-F457 PolarHBondContact NZ-O 3.28Å; K408-F457 VanDerWaalsContact NZ-O 3.15Å; F409-F457 HydrophobicContact CD2-CE1 4.2Å; F409-F457 HydrophobicContact CD2-CZ 4.08Å; F409-F457 HydrophobicContact CE2-CD1 4.5Å; F409-F457 HydrophobicContact CE2-CE1 4.38Å; F409-F457 HydrophobicContact CE2-CZ 4.48Å; L414-F457 HydrophobicContact CD1-CE2 3.85Å; L414-F457 HydrophobicContact CD1-CZ 4.28Å; L414-F457 HydrophobicContact CD2-CE2 4.48Å; L414-F457 HydrophobicContact CD2-CZ 4.35Å; L453-F457 HydrophobicContact CD2-CD2 4.45Å; L453-F457 HydrophobicContact CD2-CE2 4.05Å; L453-F457 VanDerWaalsContact O-CD2 3.26Å; L453-F457 WeakPolarHBondContact O-CD2 3.48Å; L453-F457 PolarHBondContact O-N 3.17Å; Q454-F457 PolarHBondContact O-N 3.24Å
458N85.8Confident95.2Very high177 Ų17753.1 Ų53.195%0.94727%0.266SS*.  trans-62.10166.5-68.4-23.8000111.2Q454Q454-N458 VanDerWaalsContact O-CB 3.29Å; Q454-N458 WeakPolarHBondContact O-CB 3.15Å; Q454-N458 PolarHBondContact O-N 2.93Å; Q454-N458 PolarHBondContact O-ND2 3.05Å; Q454-N458 VanDerWaalsContact O-ND2 3.08Å

Retrieved 458 of 458 residues in 89.4 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).