A0A087XCJ4_POEFO Loading...

Trafficking protein particle complex subunit 6B

Component of a transport protein particle (TRAPP) complex that may function in specific stages of inter-organelle traffic. Specifically involved in the early development of neural circuitry, likely by controlling the frequency and amplitude of intracellular calcium transients implicated in the regulation of neuron differentiation and survival.

AlphaFold DB , UniProt , Accession A0A087XCJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 163 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
1M49Very low81Confident210 Ų21087.5 Ų87.5100%1.03446%0.464SS*.  0136.60-79178.8175.600106.2
2A55.7Low82.1Confident74 Ų7484.3 Ų84.361%0.61245%0.445SS*.  trans-58.2140.5171.200000108.6D4 L6A2-D4 PolarHBondContact O-N 3.1Å; A2-L6 HydrophobicContact CB-CD1 4.14Å
3D72.5Confident83.2Confident107 Ų10786.8 Ų86.857%0.57245%0.453SS*.  trans-58.2133.2174.1-178.529.1000109.4S5 L6D3-S5 PolarHBondContact O-N 2.87Å; D3-L6 HydrophobicContact CB-CD1 4.22Å; D3-L6 HydrophobicContact CB-CG 4.16Å; D3-L6 VanDerWaalsContact O-CB 3.25Å; D3-L6 WeakPolarHBondContact O-CB 3.49Å; D3-L6 PolarHBondContact O-N 3.5Å
4D70.5Confident84.2Confident79 Ų7983.5 Ų83.542%0.42244%0.435SS..Hα-helixtrans-62.8-30.2-170.4-69-37.3000110.8A2 L6 F7 E8 R83A2-D4 PolarHBondContact O-N 3.1Å; D4-L6 PolarHBondContact O-N 3.13Å; D4-F7 PolarHBondContact O-N 3.06Å; D4-E8 PolarHBondContact O-N 3.35Å; D4-R83 IonicContact OD1-CZ 2.88Å; D4-R83 IonicContact OD1-NE 3.17Å; D4-R83 PolarHBondContact OD1-NE 3.35Å; D4-R83 VanDerWaalsContact OD1-NE 3.14Å; D4-R83 IonicContact OD1-NH2 2.67Å; D4-R83 PolarHBondContact OD1-NH2 3.48Å; D4-R83 IonicContact OD2-NE 3.42Å
5S83.7Confident85.1Confident45 Ų4577.9 Ų77.932%0.31541%0.406SS..Hα-helixtrans-58.1-28.2172.9-58.70000113.2D3 E8 F9D3-S5 PolarHBondContact O-N 2.87Å; S5-E8 PolarHBondContact O-N 3.16Å; S5-F9 WeakPolarHBondContact O-CB 3.29Å; S5-F9 WeakPolarHBondContact O-CD2 3.42Å; S5-F9 VanDerWaalsContact O-CG 3.3Å; S5-F9 WeakPolarHBondContact O-CG 3.5Å; S5-F9 PolarHBondContact O-N 3.24Å
6L91.3Very high85.7Confident104 Ų10475.5 Ų75.555%0.54540%0.398SS..Hα-helixtrans-65.3-42.5178.4-65.1173.7000111.8A2 D3 D4 L10A2-L6 HydrophobicContact CB-CD1 4.14Å; D3-L6 HydrophobicContact CB-CD1 4.22Å; D3-L6 HydrophobicContact CB-CG 4.16Å; D3-L6 VanDerWaalsContact O-CB 3.25Å; D3-L6 WeakPolarHBondContact O-CB 3.49Å; D3-L6 PolarHBondContact O-N 3.5Å; D4-L6 PolarHBondContact O-N 3.13Å; L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 2.98Å
7F91.8Very high86.4Confident75 Ų7576.4 Ų76.433%0.32940%0.399SS..Hα-helixtrans-71.1-39.8177.7175.4-111.1000111.2D4 F9 L10 H11 L106 F126D4-F7 PolarHBondContact O-N 3.06Å; F7-F9 PolarHBondContact O-N 3.18Å; F7-L10 PolarHBondContact O-N 3.44Å; F7-H11 HydrophobicContact CZ-CB 4.39Å; F7-H11 VanDerWaalsContact O-CB 3.25Å; F7-H11 WeakPolarHBondContact O-CB 3.3Å; F7-H11 PolarHBondContact O-N 2.93Å; F7-L106 HydrophobicContact CD1-CD2 4.33Å; F7-L106 HydrophobicContact CE1-CD1 4.38Å; F7-L106 HydrophobicContact CE1-CD2 3.91Å; F7-F126 HydrophobicContact CE2-CE1 4.05Å; F7-F126 HydrophobicContact CE2-CZ 4.29Å; F7-F126 HydrophobicContact CZ-CD1 4.25Å; F7-F126 AromaticContact CZ-CE1 3.63Å; F7-F126 HydrophobicContact CZ-CE1 3.63Å; F7-F126 HydrophobicContact CZ-CZ 4.32Å
8E91.4Very high86.9Confident39 Ų3972.9 Ų72.918%0.18238%0.381CS..Hα-helixtrans-59.5-46.4175.7-67.8-176.4-172.800111.7D4 S5 H11 M12 L106 Q109D4-E8 PolarHBondContact O-N 3.35Å; S5-E8 PolarHBondContact O-N 3.16Å; E8-H11 PolarHBondContact O-N 2.98Å; E8-M12 WeakPolarHBondContact O-CG 3.28Å; E8-M12 PolarHBondContact O-N 3.37Å; E8-L106 HydrophobicContact CG-CD2 4.36Å; E8-Q109 PolarHBondContact OE2-NE2 2.87Å; E8-Q109 VanDerWaalsContact OE2-NE2 3.1Å
9F93.3Very high87.3Confident129 Ų12970.4 Ų70.457%0.56637%0.367SS*.Hα-helixtrans-66-43.9176.1-68.7-45.7000112.5S5 F7 H11 M12 E13S5-F9 WeakPolarHBondContact O-CB 3.29Å; S5-F9 WeakPolarHBondContact O-CD2 3.42Å; S5-F9 VanDerWaalsContact O-CG 3.3Å; S5-F9 WeakPolarHBondContact O-CG 3.5Å; S5-F9 PolarHBondContact O-N 3.24Å; F7-F9 PolarHBondContact O-N 3.18Å; F9-H11 VanDerWaalsContact C-N 3.32Å; F9-H11 PolarHBondContact O-N 3.42Å; F9-M12 HydrophobicContact CD1-CE 3.57Å; F9-M12 HydrophobicContact CE1-CE 3.97Å; F9-M12 PolarHBondContact O-N 2.91Å; F9-E13 WeakPolarHBondContact O-CB 3.46Å; F9-E13 PolarHBondContact O-N 3.48Å
10L95.4Very high87.6Confident97 Ų9770.9 Ų70.951%0.50837%0.37SS..Hα-helixtrans-59.5-45175.9177.262.7000111.2L6 F7 E13 I14L6-L10 WeakPolarHBondContact O-CB 3.45Å; L6-L10 PolarHBondContact O-N 2.98Å; F7-L10 PolarHBondContact O-N 3.44Å; L10-E13 PolarHBondContact O-N 3.22Å; L10-I14 HydrophobicContact CD1-CD1 3.84Å; L10-I14 HydrophobicContact CD1-CG1 4.05Å; L10-I14 HydrophobicContact CD2-CD1 4.39Å; L10-I14 HydrophobicContact CG-CD1 3.73Å; L10-I14 HydrophobicContact CG-CG1 4.35Å; L10-I14 WeakPolarHBondContact O-CB 3.38Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 2.99Å; L10-I14 PolarHBondContact O-N 3.22Å
11H95.9Very high87.9Confident3 Ų371.2 Ų71.21%0.01437%0.37CS..Hα-helixtrans-61.9-46.5178.1174.7-99.2000111.4F7 E8 F9 E13 I14 V15 L106 Y123F7-H11 HydrophobicContact CZ-CB 4.39Å; F7-H11 VanDerWaalsContact O-CB 3.25Å; F7-H11 WeakPolarHBondContact O-CB 3.3Å; F7-H11 PolarHBondContact O-N 2.93Å; E8-H11 PolarHBondContact O-N 2.98Å; F9-H11 VanDerWaalsContact C-N 3.32Å; F9-H11 PolarHBondContact O-N 3.42Å; H11-E13 VanDerWaalsContact C-N 3.3Å; H11-E13 PolarHBondContact O-N 2.73Å; H11-I14 PolarHBondContact O-N 3.3Å; H11-V15 WeakPolarHBondContact O-CG2 3.42Å; H11-V15 PolarHBondContact O-N 3.32Å; H11-L106 HydrophobicContact CB-CD2 4.38Å; H11-Y123 AromaticContact CE1-CD1 3.96Å; H11-Y123 PolarHBondContact CE1-O 3.04Å; H11-Y123 VanDerWaalsContact CE1-O 3.23Å; H11-Y123 PolarHBondContact NE2-O 2.96Å
12M94.9Very high89.9Confident50 Ų5063.7 Ų63.725%0.24633%0.332CS..Hα-helixtrans-58.7-42.9175.5-76.7-170.7-82.600111.9E8 F9 V15 S16 Q109E8-M12 WeakPolarHBondContact O-CG 3.28Å; E8-M12 PolarHBondContact O-N 3.37Å; F9-M12 HydrophobicContact CD1-CE 3.57Å; F9-M12 HydrophobicContact CE1-CE 3.97Å; F9-M12 PolarHBondContact O-N 2.91Å; M12-V15 PolarHBondContact O-N 3.49Å; M12-S16 VanDerWaalsContact O-CB 3.28Å; M12-S16 WeakPolarHBondContact O-CB 3.41Å; M12-S16 PolarHBondContact O-N 3.1Å; M12-Q109 HydrophobicContact CE-CG 4.08Å; M12-Q109 HydrophobicContact SD-CB 4.44Å; M12-Q109 HydrophobicContact SD-CG 4.31Å
13E96.6Very high91.6Very high117 Ų11764.9 Ų64.955%0.54733%0.325SS..Hα-helixtrans-69.7-40.7-179.7-16856.9-146.700112.2F9 L10 H11 V15 S16 H17F9-E13 WeakPolarHBondContact O-CB 3.46Å; F9-E13 PolarHBondContact O-N 3.48Å; L10-E13 PolarHBondContact O-N 3.22Å; H11-E13 VanDerWaalsContact C-N 3.3Å; H11-E13 PolarHBondContact O-N 2.73Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.92Å; E13-S16 PolarHBondContact O-N 3.22Å; E13-H17 WeakPolarHBondContact O-CB 3.23Å; E13-H17 PolarHBondContact O-N 3.04Å
14I97.3Very high92.4Very high40 Ų4064.9 Ų64.921%0.20533%0.333CS..Hα-helixtrans-59.9-46.1175.4-71.6168000110.6L10 H11 I18 L41 M44L10-I14 HydrophobicContact CD1-CD1 3.84Å; L10-I14 HydrophobicContact CD1-CG1 4.05Å; L10-I14 HydrophobicContact CD2-CD1 4.39Å; L10-I14 HydrophobicContact CG-CD1 3.73Å; L10-I14 HydrophobicContact CG-CG1 4.35Å; L10-I14 WeakPolarHBondContact O-CB 3.38Å; L10-I14 VanDerWaalsContact O-CG1 3.24Å; L10-I14 WeakPolarHBondContact O-CG1 2.99Å; L10-I14 PolarHBondContact O-N 3.22Å; H11-I14 PolarHBondContact O-N 3.3Å; I14-I18 HydrophobicContact CG2-CD1 3.8Å; I14-I18 WeakPolarHBondContact O-CG1 3.23Å; I14-I18 PolarHBondContact O-N 2.8Å; I14-L41 HydrophobicContact CG2-CD2 3.73Å; I14-M44 HydrophobicContact CD1-CE 4.13Å; I14-M44 HydrophobicContact CG2-CE 3.85Å; I14-M44 HydrophobicContact CG2-SD 4.14Å
15V96.6Very high93.3Very high0 Ų069.4 Ų69.40%034%0.344CS..Hα-helixtrans-63.4-46.2177.8174.10000110.4H11 M12 E13 F19 L41 K122 Y123H11-V15 WeakPolarHBondContact O-CG2 3.42Å; H11-V15 PolarHBondContact O-N 3.32Å; M12-V15 PolarHBondContact O-N 3.49Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.92Å; V15-F19 HydrophobicContact CG1-CD2 4.32Å; V15-F19 VanDerWaalsContact O-CD2 3.29Å; V15-F19 WeakPolarHBondContact O-CD2 3.36Å; V15-F19 PolarHBondContact O-N 3.3Å; V15-L41 HydrophobicContact CG2-CD1 4.12Å; V15-L41 HydrophobicContact CG2-CD2 3.92Å; V15-K122 HydrophobicContact CG1-CB 4.07Å; V15-K122 HydrophobicContact CG1-CD 3.85Å; V15-K122 HydrophobicContact CG1-CG 3.98Å; V15-Y123 HydrophobicContact CB-CD1 4.23Å; V15-Y123 HydrophobicContact CB-CE1 4.03Å; V15-Y123 HydrophobicContact CG1-CD1 3.99Å; V15-Y123 HydrophobicContact CG1-CE1 3.73Å; V15-Y123 HydrophobicContact CG2-CD1 4.11Å; V15-Y123 HydrophobicContact CG2-CE1 4.41Å
16S95.7Very high93.4Very high39 Ų3973 Ų7327%0.27335%0.354SS..Hα-helixtrans-58.3-52.3177.2-176.20000111.4M12 E13 I18 F19 N20M12-S16 VanDerWaalsContact O-CB 3.28Å; M12-S16 WeakPolarHBondContact O-CB 3.41Å; M12-S16 PolarHBondContact O-N 3.1Å; E13-S16 PolarHBondContact O-N 3.22Å; S16-I18 PolarHBondContact O-N 3.42Å; S16-F19 PolarHBondContact O-N 2.97Å; S16-N20 VanDerWaalsContact O-CB 3.23Å; S16-N20 WeakPolarHBondContact O-CB 3.28Å; S16-N20 PolarHBondContact O-N 3.24Å; S16-N20 PolarHBondContact O-ND2 2.85Å; S16-N20 PolarHBondContact OG-ND2 3.14Å; S16-N20 VanDerWaalsContact OG-ND2 3.1Å
17H96.7Very high93.2Very high90 Ų9070.3 Ų70.342%0.41735%0.352SS..Hα-helixtrans-58.7-51.1-177.9179.872.4000112.3E13 F19 N20 E21E13-H17 WeakPolarHBondContact O-CB 3.23Å; E13-H17 PolarHBondContact O-N 3.04Å; H17-F19 VanDerWaalsContact C-N 3.33Å; H17-F19 PolarHBondContact O-N 3.12Å; H17-N20 PolarHBondContact O-N 3.33Å; H17-E21 IonicContact CE1-OE1 3.93Å; H17-E21 PolarHBondContact CE1-OE1 2.77Å; H17-E21 VanDerWaalsContact NE2-CD 3.33Å; H17-E21 IonicContact NE2-OE1 3.14Å; H17-E21 PolarHBondContact NE2-OE1 3.1Å; H17-E21 IonicContact NE2-OE2 3.89Å; H17-E21 WeakPolarHBondContact O-CB 3.42Å; H17-E21 WeakPolarHBondContact O-CG 3.22Å; H17-E21 PolarHBondContact O-N 3.36Å
18I96.1Very high93Very high15 Ų1575 Ų758%0.07738%0.375CS..Hα-helixtrans-59.5-44.3-178.3-72.8169.2000111.3I14 S16 Q22 C37 L40 L41 M44I14-I18 HydrophobicContact CG2-CD1 3.8Å; I14-I18 WeakPolarHBondContact O-CG1 3.23Å; I14-I18 PolarHBondContact O-N 2.8Å; S16-I18 PolarHBondContact O-N 3.42Å; I18-Q22 VanDerWaalsContact O-CG 3.26Å; I18-Q22 WeakPolarHBondContact O-CG 3.18Å; I18-Q22 PolarHBondContact O-N 2.91Å; I18-C37 HydrophobicContact CG2-CB 3.83Å; I18-L40 HydrophobicContact CD1-CD2 3.97Å; I18-L40 HydrophobicContact CD1-CG 4.2Å; I18-L40 HydrophobicContact CG1-CD2 4.16Å; I18-L40 HydrophobicContact CG2-CD2 4.16Å; I18-L41 HydrophobicContact CD1-CD2 3.58Å; I18-L41 HydrophobicContact CD1-CG 3.91Å; I18-M44 HydrophobicContact CD1-SD 3.96Å
19F94.7Very high92.9Very high24 Ų2474 Ų7411%0.10537%0.371CS..Hα-helixtrans-73.2-40.5-179.4-82.9-99.3000112.3V15 S16 H17 Q22 Q23 L29 R34 C37 I38 L41 K122V15-F19 HydrophobicContact CG1-CD2 4.32Å; V15-F19 VanDerWaalsContact O-CD2 3.29Å; V15-F19 WeakPolarHBondContact O-CD2 3.36Å; V15-F19 PolarHBondContact O-N 3.3Å; S16-F19 PolarHBondContact O-N 2.97Å; H17-F19 VanDerWaalsContact C-N 3.33Å; H17-F19 PolarHBondContact O-N 3.12Å; F19-Q22 PolarHBondContact O-N 3.24Å; F19-Q23 WeakPolarHBondContact O-CB 3.05Å; F19-Q23 PolarHBondContact O-N 2.99Å; F19-L29 HydrophobicContact CD1-CD1 4.25Å; F19-R34 HydrophobicContact CE1-CG 4.41Å; F19-C37 HydrophobicContact CD1-CB 4.36Å; F19-C37 HydrophobicContact CD2-CB 4.08Å; F19-C37 HydrophobicContact CE1-CB 3.96Å; F19-C37 HydrophobicContact CE2-CB 3.65Å; F19-C37 HydrophobicContact CG-CB 4.43Å; F19-C37 HydrophobicContact CZ-CB 3.59Å; F19-I38 HydrophobicContact CZ-CG1 4.19Å; F19-L41 HydrophobicContact CD2-CD1 4.49Å; F19-L41 HydrophobicContact CE2-CD1 3.77Å; F19-K122 HydrophobicContact CD2-CB 4.41Å; F19-K122 HydrophobicContact CD2-CD 4.35Å; F19-K122 HydrophobicContact CE1-CB 4.39Å; F19-K122 HydrophobicContact CE1-CD 4.42Å; F19-K122 HydrophobicContact CE2-CB 3.5Å; F19-K122 VanDerWaalsContact CE2-CB 3.5Å; F19-K122 HydrophobicContact CE2-CD 4.17Å; F19-K122 HydrophobicContact CE2-CG 4.43Å; F19-K122 HydrophobicContact CZ-CB 3.49Å; F19-K122 VanDerWaalsContact CZ-CB 3.49Å; F19-K122 HydrophobicContact CZ-CD 4.21Å; F19-K122 HydrophobicContact CZ-CG 4.42Å
20N93.9Very high92.8Very high81 Ų8171.8 Ų71.843%0.43336%0.364SS..Hα-helixtrans-69-38-179.7-68.1-15.1000112S16 H17 Q23 S24S16-N20 VanDerWaalsContact O-CB 3.23Å; S16-N20 WeakPolarHBondContact O-CB 3.28Å; S16-N20 PolarHBondContact O-N 3.24Å; S16-N20 PolarHBondContact O-ND2 2.85Å; S16-N20 PolarHBondContact OG-ND2 3.14Å; S16-N20 VanDerWaalsContact OG-ND2 3.1Å; H17-N20 PolarHBondContact O-N 3.33Å; N20-Q23 PolarHBondContact O-N 2.82Å; N20-S24 WeakPolarHBondContact O-CB 3.47Å; N20-S24 PolarHBondContact O-N 3.17Å; N20-S24 PolarHBondContact O-OG 2.91Å
21E92.4Very high92.6Very high77 Ų7773.6 Ų73.636%0.3638%0.375SS..Hα-helixtrans-61.5-45.4174.6-79.9-155.1149.600111.4H17 S24 R25H17-E21 IonicContact CE1-OE1 3.93Å; H17-E21 PolarHBondContact CE1-OE1 2.77Å; H17-E21 VanDerWaalsContact NE2-CD 3.33Å; H17-E21 IonicContact NE2-OE1 3.14Å; H17-E21 PolarHBondContact NE2-OE1 3.1Å; H17-E21 IonicContact NE2-OE2 3.89Å; H17-E21 WeakPolarHBondContact O-CB 3.42Å; H17-E21 WeakPolarHBondContact O-CG 3.22Å; H17-E21 PolarHBondContact O-N 3.36Å; E21-S24 PolarHBondContact O-N 3.37Å; E21-R25 WeakPolarHBondContact O-CG 3.27Å; E21-R25 PolarHBondContact O-N 3.2Å; E21-R25 VanDerWaalsContact O-N 3.11Å; E21-R25 IonicContact OE2-NH2 3.78Å
22Q91.1Very high92.5Very high53 Ų5381.3 Ų81.325%0.24841%0.408CS..Hα-helixtrans-68.5-39.5-179.9-65.4-66.4-1200111.5I18 F19 S24 R25 K26 L29I18-Q22 VanDerWaalsContact O-CG 3.26Å; I18-Q22 WeakPolarHBondContact O-CG 3.18Å; I18-Q22 PolarHBondContact O-N 2.91Å; F19-Q22 PolarHBondContact O-N 3.24Å; Q22-S24 VanDerWaalsContact C-N 3.34Å; Q22-S24 PolarHBondContact O-N 3.49Å; Q22-R25 PolarHBondContact O-N 3.14Å; Q22-K26 PolarHBondContact O-N 3.05Å; Q22-L29 HydrophobicContact CB-CD2 3.66Å
23Q91Very high92.4Very high99 Ų9979.9 Ų79.946%0.46340%0.402SS..Hα-helixtrans-62.3-41.6173.3-166.8174.316.200111.6F19 N20 R25 K26 G27 L29F19-Q23 WeakPolarHBondContact O-CB 3.05Å; F19-Q23 PolarHBondContact O-N 2.99Å; N20-Q23 PolarHBondContact O-N 2.82Å; Q23-R25 VanDerWaalsContact C-N 3.27Å; Q23-R25 PolarHBondContact O-N 3.2Å; Q23-K26 PolarHBondContact O-N 3.47Å; Q23-G27 WeakPolarHBondContact CG-O 3.38Å; Q23-G27 VanDerWaalsContact O-CA 3.28Å; Q23-G27 WeakPolarHBondContact O-CA 3.3Å; Q23-G27 PolarHBondContact O-N 2.66Å; Q23-L29 HydrophobicContact CB-CD1 4.08Å; Q23-L29 HydrophobicContact CB-CG 4.27Å
24S90.6Very high92.3Very high106 Ų10679.5 Ų79.574%0.74140%0.395SS*.Hα-helixtrans-64.3-31.2178.2-59.10000112.8N20 E21 Q22N20-S24 WeakPolarHBondContact O-CB 3.47Å; N20-S24 PolarHBondContact O-N 3.17Å; N20-S24 PolarHBondContact O-OG 2.91Å; E21-S24 PolarHBondContact O-N 3.37Å; Q22-S24 VanDerWaalsContact C-N 3.34Å; Q22-S24 PolarHBondContact O-N 3.49Å
25R88.7Confident92.1Very high175 Ų17579.9 Ų79.966%0.6640%0.404SS*.Hα-helixtrans-76.3-32.1178.8-72.5176.4-172.8-1726.6113.8E21 Q22 Q23E21-R25 WeakPolarHBondContact O-CG 3.27Å; E21-R25 PolarHBondContact O-N 3.2Å; E21-R25 VanDerWaalsContact O-N 3.11Å; E21-R25 IonicContact OE2-NH2 3.78Å; Q22-R25 PolarHBondContact O-N 3.14Å; Q23-R25 VanDerWaalsContact C-N 3.27Å; Q23-R25 PolarHBondContact O-N 3.2Å
26K86.2Confident92.1Very high119 Ų11982.7 Ų82.752%0.51743%0.427SS..Hα-helixtrans-122.4-6.3-170.5-77.4-176.4166.3-171.30115.4Q22 Q23 E28 D33Q22-K26 PolarHBondContact O-N 3.05Å; Q23-K26 PolarHBondContact O-N 3.47Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.19Å; K26-D33 WeakPolarHBondContact CD-OD2 3.44Å; K26-D33 IonicContact NZ-OD1 3.31Å; K26-D33 PolarHBondContact NZ-OD1 3.31Å; K26-D33 IonicContact NZ-OD2 3.69Å; K26-D33 PolarHBondContact NZ-OD2 3.26Å
27G86.3Confident92.1Very high48 Ų4881 Ų8150%0.49542%0.415SS..SBendtrans76.2-73.3-174.300000112.1Q23Q23-G27 WeakPolarHBondContact CG-O 3.38Å; Q23-G27 VanDerWaalsContact O-CA 3.28Å; Q23-G27 WeakPolarHBondContact O-CA 3.3Å; Q23-G27 PolarHBondContact O-N 2.66Å
28E88.2Confident92.2Very high174 Ų17479.5 Ų79.581%0.81341%0.41SS*.SBendtrans-105.9129.1175.9-71.6-170.616500111.1K26K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.19Å
29L88.5Confident92.2Very high19 Ų1982.4 Ų82.410%0.09943%0.431CS..  trans-79.8127.7172.7-68.6163.6000108.8F19 Q22 Q23 D33 R34F19-L29 HydrophobicContact CD1-CD1 4.25Å; Q22-L29 HydrophobicContact CB-CD2 3.66Å; Q23-L29 HydrophobicContact CB-CD1 4.08Å; Q23-L29 HydrophobicContact CB-CG 4.27Å; L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.67Å; L29-R34 HydrophobicContact CB-CG 4.21Å; L29-R34 PolarHBondContact O-NH1 3.5Å; L29-R34 PolarHBondContact O-NH2 2.81Å
30D92.3Very high92.4Very high81 Ų8185.2 Ų85.243%0.43345%0.447SS..  trans-84.7-177.4166.771.821.7000111.1K32 D33 R34D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.19Å; D30-K32 WeakPolarHBondContact OD1-CA 3.28Å; D30-K32 VanDerWaalsContact OD1-CB 3.31Å; D30-K32 WeakPolarHBondContact OD1-CB 3.25Å; D30-K32 PolarHBondContact OD1-N 2.92Å; D30-D33 PolarHBondContact OD1-N 3.36Å; D30-R34 WeakPolarHBondContact O-CG 3.21Å; D30-R34 PolarHBondContact O-N 2.9Å; D30-R34 PolarHBondContact O-NH1 3.03Å
31N91.3Very high92.6Very high135 Ų13581.4 Ų81.472%0.72243%0.427SS*.Hα-helixtrans-67.3-30.8178.1-76.9-13.9000113A35N31-A35 WeakPolarHBondContact O-CB 3.42Å; N31-A35 PolarHBondContact O-N 3.29Å
32K93.4Very high92.9Very high166 Ų16679.3 Ų79.372%0.72242%0.417SS*.Hα-helixtrans-72.1-40.1-179.6-176.3-178.7177.1-178.60110.6D30 A35 A36D30-K32 VanDerWaalsContact C-N 3.3Å; D30-K32 PolarHBondContact O-N 3.19Å; D30-K32 WeakPolarHBondContact OD1-CA 3.28Å; D30-K32 VanDerWaalsContact OD1-CB 3.31Å; D30-K32 WeakPolarHBondContact OD1-CB 3.25Å; D30-K32 PolarHBondContact OD1-N 2.92Å; K32-A35 PolarHBondContact O-N 3.44Å; K32-A36 PolarHBondContact O-N 3.4Å
33D93.6Very high93.3Very high19 Ų1979 Ų7910%0.10242%0.423CS..Hα-helixtrans-67-42.1176.8-68.2-36000111.3K26 L29 D30 A35 A36 C37K26-D33 WeakPolarHBondContact CD-OD2 3.44Å; K26-D33 IonicContact NZ-OD1 3.31Å; K26-D33 PolarHBondContact NZ-OD1 3.31Å; K26-D33 IonicContact NZ-OD2 3.69Å; K26-D33 PolarHBondContact NZ-OD2 3.26Å; L29-D33 HydrophobicContact CB-CB 4.45Å; L29-D33 HydrophobicContact CD2-CB 3.67Å; D30-D33 PolarHBondContact OD1-N 3.36Å; D33-A35 PolarHBondContact O-N 3.31Å; D33-A36 PolarHBondContact O-N 3.43Å; D33-C37 PolarHBondContact O-N 2.77Å; D33-C37 PolarHBondContact O-SG 3.04Å
34R92.8Very high93.6Very high110 Ų11077.5 Ų77.542%0.41542%0.417SS..Hα-helixtrans-60.3-44.7172-72.3-173.7179.881.75.9111.9F19 L29 D30 A36 C37 I38F19-R34 HydrophobicContact CE1-CG 4.41Å; L29-R34 HydrophobicContact CB-CG 4.21Å; L29-R34 PolarHBondContact O-NH1 3.5Å; L29-R34 PolarHBondContact O-NH2 2.81Å; D30-R34 WeakPolarHBondContact O-CG 3.21Å; D30-R34 PolarHBondContact O-N 2.9Å; D30-R34 PolarHBondContact O-NH1 3.03Å; R34-A36 VanDerWaalsContact C-N 3.31Å; R34-A36 PolarHBondContact O-N 3.06Å; R34-C37 WeakPolarHBondContact O-CB 3.1Å; R34-C37 PolarHBondContact O-N 3.41Å; R34-I38 WeakPolarHBondContact O-CG1 3.25Å; R34-I38 PolarHBondContact O-N 3.5Å
35A94.5Very high94Very high47 Ų4772.4 Ų72.439%0.38838%0.382SS..Hα-helixtrans-61.6-39.9176.400000111.7N31 K32 D33 I38 S39N31-A35 WeakPolarHBondContact O-CB 3.42Å; N31-A35 PolarHBondContact O-N 3.29Å; K32-A35 PolarHBondContact O-N 3.44Å; D33-A35 PolarHBondContact O-N 3.31Å; A35-I38 PolarHBondContact O-N 3.07Å; A35-S39 WeakPolarHBondContact O-CB 3.16Å; A35-S39 PolarHBondContact O-N 3.35Å; A35-S39 PolarHBondContact O-OG 3.07Å; A35-S39 VanDerWaalsContact O-OG 3.05Å
36A95.6Very high94.5Very high59 Ų5965.4 Ų65.449%0.48836%0.356SS..Hα-helixtrans-63.2-41.8175.700000112.5K32 D33 R34 S39 L40K32-A36 PolarHBondContact O-N 3.4Å; D33-A36 PolarHBondContact O-N 3.43Å; R34-A36 VanDerWaalsContact C-N 3.31Å; R34-A36 PolarHBondContact O-N 3.06Å; A36-S39 PolarHBondContact O-N 3.05Å; A36-L40 PolarHBondContact O-N 2.85Å
37C96.9Very high95.1Very high4 Ų468.1 Ų68.13%0.02736%0.363CS..Hα-helixtrans-60.8-45.4174.2-62.80000111.7I18 F19 D33 R34 L40 L41I18-C37 HydrophobicContact CG2-CB 3.83Å; F19-C37 HydrophobicContact CD1-CB 4.36Å; F19-C37 HydrophobicContact CD2-CB 4.08Å; F19-C37 HydrophobicContact CE1-CB 3.96Å; F19-C37 HydrophobicContact CE2-CB 3.65Å; F19-C37 HydrophobicContact CG-CB 4.43Å; F19-C37 HydrophobicContact CZ-CB 3.59Å; D33-C37 PolarHBondContact O-N 2.77Å; D33-C37 PolarHBondContact O-SG 3.04Å; R34-C37 WeakPolarHBondContact O-CB 3.1Å; R34-C37 PolarHBondContact O-N 3.41Å; C37-L40 PolarHBondContact O-N 3.29Å; C37-L41 WeakPolarHBondContact O-CG 3.33Å; C37-L41 PolarHBondContact O-N 3.23Å
38I97.2Very high95.7Very high59 Ų5968.8 Ų68.830%0.30336%0.357SS..Hα-helixtrans-61.5-46.5177.3-71.7170.3000110.5F19 R34 A35 L40 L41 E42 P121 A125F19-I38 HydrophobicContact CZ-CG1 4.19Å; R34-I38 WeakPolarHBondContact O-CG1 3.25Å; R34-I38 PolarHBondContact O-N 3.5Å; A35-I38 PolarHBondContact O-N 3.07Å; I38-L40 VanDerWaalsContact C-N 3.28Å; I38-L40 PolarHBondContact O-N 2.86Å; I38-L41 PolarHBondContact O-N 3.39Å; I38-E42 WeakPolarHBondContact O-CB 3.43Å; I38-E42 PolarHBondContact O-N 3.33Å; I38-P121 HydrophobicContact CD1-CB 4.47Å; I38-A125 HydrophobicContact CB-CB 4.5Å; I38-A125 HydrophobicContact CG2-CB 3.88Å
39S97.5Very high96.1Very high75 Ų7560.5 Ų60.552%0.52432%0.318SS..Hα-helixtrans-61.5-36177.4-64.80000112.5A35 A36 A43A35-S39 WeakPolarHBondContact O-CB 3.16Å; A35-S39 PolarHBondContact O-N 3.35Å; A35-S39 PolarHBondContact O-OG 3.07Å; A35-S39 VanDerWaalsContact O-OG 3.05Å; A36-S39 PolarHBondContact O-N 3.05Å; S39-A43 WeakPolarHBondContact O-CB 3.47Å; S39-A43 PolarHBondContact O-N 3.36Å
40L98.1Very high96.6Very high84 Ų8461.4 Ų61.444%0.4432%0.322SS..Hα-helixtrans-66.1-47.3175.5179.160.3000111.7I18 A36 C37 I38 E42 A43 M44I18-L40 HydrophobicContact CD1-CD2 3.97Å; I18-L40 HydrophobicContact CD1-CG 4.2Å; I18-L40 HydrophobicContact CG1-CD2 4.16Å; I18-L40 HydrophobicContact CG2-CD2 4.16Å; A36-L40 PolarHBondContact O-N 2.85Å; C37-L40 PolarHBondContact O-N 3.29Å; I38-L40 VanDerWaalsContact C-N 3.28Å; I38-L40 PolarHBondContact O-N 2.86Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 3.36Å; L40-A43 PolarHBondContact O-N 3.37Å; L40-M44 WeakPolarHBondContact O-CG 3.38Å; L40-M44 PolarHBondContact O-N 2.86Å
41L98.5Very high96.9Very high0 Ų059.5 Ų59.50%032%0.322CS..Hα-helixtrans-59.4-43.8176.3-75.4166.5000111.8I14 V15 I18 F19 C37 I38 M44 G45 K122 A125 F126I14-L41 HydrophobicContact CG2-CD2 3.73Å; V15-L41 HydrophobicContact CG2-CD1 4.12Å; V15-L41 HydrophobicContact CG2-CD2 3.92Å; I18-L41 HydrophobicContact CD1-CD2 3.58Å; I18-L41 HydrophobicContact CD1-CG 3.91Å; F19-L41 HydrophobicContact CD2-CD1 4.49Å; F19-L41 HydrophobicContact CE2-CD1 3.77Å; C37-L41 WeakPolarHBondContact O-CG 3.33Å; C37-L41 PolarHBondContact O-N 3.23Å; I38-L41 PolarHBondContact O-N 3.39Å; L41-M44 PolarHBondContact O-N 3.3Å; L41-G45 PolarHBondContact O-N 2.88Å; L41-K122 WeakPolarHBondContact CD1-O 3.24Å; L41-A125 HydrophobicContact CB-CB 3.81Å; L41-A125 HydrophobicContact CD1-CB 4.38Å; L41-F126 WeakPolarHBondContact O-CA 3.45Å
42E98.6Very high97.2Very high34 Ų3455.9 Ų55.916%0.15930%0.302CS..Hα-helixtrans-61.3-45.8175.6-167.7-72.8151.500111.2I38 L40 M44 G45 F46 A125 G129 R132I38-E42 WeakPolarHBondContact O-CB 3.43Å; I38-E42 PolarHBondContact O-N 3.33Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 3.36Å; E42-M44 VanDerWaalsContact C-N 3.33Å; E42-M44 PolarHBondContact O-N 3.29Å; E42-G45 CarbonylContact O-C 3.58Å; E42-G45 WeakPolarHBondContact O-CA 3.38Å; E42-G45 PolarHBondContact O-N 3.49Å; E42-G45 VanDerWaalsContact O-N 3.11Å; E42-F46 PolarHBondContact O-N 3.26Å; E42-A125 WeakPolarHBondContact CA-O 3.33Å; E42-G129 VanDerWaalsContact O-CA 3.29Å; E42-G129 WeakPolarHBondContact O-CA 3.26Å; E42-G129 VanDerWaalsContact OE1-CA 3.24Å; E42-G129 WeakPolarHBondContact OE1-CA 3.39Å; E42-R132 VanDerWaalsContact CD-NH2 3.33Å; E42-R132 IonicContact OE1-CZ 2.97Å; E42-R132 VanDerWaalsContact OE1-CZ 3.24Å; E42-R132 IonicContact OE1-NE 2.88Å; E42-R132 PolarHBondContact OE1-NE 3.45Å; E42-R132 IonicContact OE1-NH2 2.66Å; E42-R132 PolarHBondContact OE1-NH2 2.93Å; E42-R132 IonicContact OE2-CZ 2.87Å; E42-R132 IonicContact OE2-NE 3.24Å; E42-R132 IonicContact OE2-NH2 3.85Å; E42-R132 PolarHBondContact OE2-NH2 3.41Å
43A98.6Very high97.4Very high45 Ų4548 Ų4837%0.37227%0.268SS..Hα-helixtrans-63.6-37178.500000112.8S39 L40 F46 R47S39-A43 WeakPolarHBondContact O-CB 3.47Å; S39-A43 PolarHBondContact O-N 3.36Å; L40-A43 PolarHBondContact O-N 3.37Å; A43-F46 WeakPolarHBondContact O-CB 3.37Å; A43-F46 PolarHBondContact O-N 3.36Å; A43-R47 PolarHBondContact O-N 3Å
44M98.6Very high97.5Very high68 Ų6852.6 Ų52.634%0.33529%0.289SS..Hα-helixtrans-61.8-47.7171.6-69.5175.56900110.7I14 I18 L40 L41 E42 F46 R47 V48 F126I14-M44 HydrophobicContact CD1-CE 4.13Å; I14-M44 HydrophobicContact CG2-CE 3.85Å; I14-M44 HydrophobicContact CG2-SD 4.14Å; I18-M44 HydrophobicContact CD1-SD 3.96Å; L40-M44 WeakPolarHBondContact O-CG 3.38Å; L40-M44 PolarHBondContact O-N 2.86Å; L41-M44 PolarHBondContact O-N 3.3Å; E42-M44 VanDerWaalsContact C-N 3.33Å; E42-M44 PolarHBondContact O-N 3.29Å; M44-F46 VanDerWaalsContact C-N 3.3Å; M44-F46 PolarHBondContact O-N 2.84Å; M44-R47 PolarHBondContact O-N 3.11Å; M44-V48 WeakPolarHBondContact O-CG2 3.29Å; M44-V48 PolarHBondContact O-N 3.22Å; M44-V48 VanDerWaalsContact O-N 3.14Å; M44-F126 HydrophobicContact CB-CD2 4.25Å; M44-F126 HydrophobicContact CB-CE2 4.29Å
45G98.6Very high97.6Very high0 Ų057.4 Ų57.40%031%0.307CS..Hα-helixtrans-56.6-44174.900000112.3L41 E42 R47 V48 G49 F126 G129 V130L41-G45 PolarHBondContact O-N 2.88Å; E42-G45 CarbonylContact O-C 3.58Å; E42-G45 WeakPolarHBondContact O-CA 3.38Å; E42-G45 PolarHBondContact O-N 3.49Å; E42-G45 VanDerWaalsContact O-N 3.11Å; G45-R47 PolarHBondContact O-N 3.32Å; G45-V48 CarbonylContact O-C 3.54Å; G45-V48 PolarHBondContact O-N 3.41Å; G45-V48 VanDerWaalsContact O-N 3.15Å; G45-G49 PolarHBondContact O-N 3.19Å; G45-F126 WeakPolarHBondContact CA-O 3.45Å; G45-G129 CarbonylContact O-C 3.6Å; G45-V130 VanDerWaalsContact C-N 3.3Å; G45-V130 VanDerWaalsContact O-CA 3.23Å; G45-V130 WeakPolarHBondContact O-CA 3.44Å; G45-V130 WeakPolarHBondContact O-CG2 3.45Å; G45-V130 PolarHBondContact O-N 3.44Å
46F98.8Very high97.6Very high27 Ų2756.5 Ų56.512%0.11830%0.295CS..Hα-helixtrans-55.8-49.1178.5-177.9-91.8000112.3E42 A43 M44 V48 G49 Q50 G129 R132 G133E42-F46 PolarHBondContact O-N 3.26Å; A43-F46 WeakPolarHBondContact O-CB 3.37Å; A43-F46 PolarHBondContact O-N 3.36Å; M44-F46 VanDerWaalsContact C-N 3.3Å; M44-F46 PolarHBondContact O-N 2.84Å; F46-V48 VanDerWaalsContact C-N 3.33Å; F46-V48 PolarHBondContact O-N 3.06Å; F46-G49 PolarHBondContact O-N 3.26Å; F46-Q50 HydrophobicContact CD1-CG 4.42Å; F46-Q50 HydrophobicContact CE1-CG 4.07Å; F46-Q50 HydrophobicContact CZ-CG 4.34Å; F46-Q50 WeakPolarHBondContact O-CG 3.37Å; F46-Q50 PolarHBondContact O-N 2.85Å; F46-G129 WeakPolarHBondContact CA-O 3.37Å; F46-G129 VanDerWaalsContact N-C 3.28Å; F46-G129 PolarHBondContact N-O 3.15Å; F46-R132 HydrophobicContact CD2-CB 4.17Å; F46-R132 HydrophobicContact CD2-CG 4.11Å; F46-R132 VanDerWaalsContact CD2-NH1 3.28Å; F46-R132 HydrophobicContact CE2-CG 4.18Å; F46-G133 VanDerWaalsContact CD2-N 3.33Å; F46-G133 VanDerWaalsContact CE2-CA 3.46Å; F46-G133 WeakPolarHBondContact O-CA 3.4Å
47R98.6Very high97.6Very high177 Ų17755.2 Ų55.267%0.66828%0.281SS*.Hα-helixtrans-62.5-40.9177.2-65.7-60.4-171.6-177.93.3112.3A43 M44 G45 Q50 G51A43-R47 PolarHBondContact O-N 3Å; M44-R47 PolarHBondContact O-N 3.11Å; G45-R47 PolarHBondContact O-N 3.32Å; R47-Q50 PolarHBondContact O-N 3.25Å; R47-G51 PolarHBondContact O-N 2.92Å
48V98.4Very high97.3Very high61 Ų6164.8 Ų64.837%0.3732%0.317SS..Hα-helixtrans-64.3-43.9176.4171.80000110.9M44 G45 F46 Q50 G51 L52 F126 V130M44-V48 WeakPolarHBondContact O-CG2 3.29Å; M44-V48 PolarHBondContact O-N 3.22Å; M44-V48 VanDerWaalsContact O-N 3.14Å; G45-V48 CarbonylContact O-C 3.54Å; G45-V48 PolarHBondContact O-N 3.41Å; G45-V48 VanDerWaalsContact O-N 3.15Å; F46-V48 VanDerWaalsContact C-N 3.33Å; F46-V48 PolarHBondContact O-N 3.06Å; V48-Q50 PolarHBondContact O-N 3.04Å; V48-G51 PolarHBondContact O-N 2.99Å; V48-L52 HydrophobicContact CG1-CD1 3.57Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.45Å; V48-L52 VanDerWaalsContact O-CG 3.25Å; V48-L52 WeakPolarHBondContact O-CG 3.32Å; V48-L52 PolarHBondContact O-N 2.94Å; V48-F126 HydrophobicContact CB-CZ 4.1Å; V48-F126 HydrophobicContact CG1-CZ 4.11Å; V48-F126 HydrophobicContact CG2-CE2 4.2Å; V48-F126 HydrophobicContact CG2-CZ 4.01Å; V48-V130 HydrophobicContact CB-CG2 4.39Å; V48-V130 HydrophobicContact CG1-CG2 4.27Å
49G98.4Very high97Very high0 Ų069 Ų690%034%0.34CS..Hα-helixtrans-57.7-44.9176.800000113.2G45 F46 L52 I53 V130G45-G49 PolarHBondContact O-N 3.19Å; F46-G49 PolarHBondContact O-N 3.26Å; G49-L52 PolarHBondContact O-N 3.18Å; G49-I53 WeakPolarHBondContact O-CG2 3.38Å; G49-I53 PolarHBondContact O-N 2.83Å; G49-V130 VanDerWaalsContact CA-O 3.27Å; G49-V130 WeakPolarHBondContact CA-O 3.46Å
50Q98.3Very high96.5Very high39 Ų3967.8 Ų67.818%0.18233%0.33CS..Hα-helixtrans-58.6-52.3175-70.6-174.1-56.500111.5F46 R47 V48 L52 I53 E54 G133 N137F46-Q50 HydrophobicContact CD1-CG 4.42Å; F46-Q50 HydrophobicContact CE1-CG 4.07Å; F46-Q50 HydrophobicContact CZ-CG 4.34Å; F46-Q50 WeakPolarHBondContact O-CG 3.37Å; F46-Q50 PolarHBondContact O-N 2.85Å; R47-Q50 PolarHBondContact O-N 3.25Å; V48-Q50 PolarHBondContact O-N 3.04Å; Q50-L52 PolarHBondContact O-N 2.76Å; Q50-I53 VanDerWaalsContact O-CG2 3.31Å; Q50-I53 WeakPolarHBondContact O-CG2 3.33Å; Q50-I53 PolarHBondContact O-N 3.47Å; Q50-E54 WeakPolarHBondContact O-CG 3.26Å; Q50-E54 PolarHBondContact O-N 3.46Å; Q50-G133 WeakPolarHBondContact CG-O 3.36Å; Q50-N137 PolarHBondContact O-ND2 2.81Å
51G97.9Very high96.1Very high41 Ų4168.9 Ų68.942%0.42334%0.341SS..Hα-helixtrans-66.3-35.8-178.600000113.6R47 V48R47-G51 PolarHBondContact O-N 2.92Å; V48-G51 PolarHBondContact O-N 2.99Å
52L97.6Very high95.7Very high58 Ų5874.2 Ų74.230%0.30438%0.379SS..Hα-helixtrans-65.2-48.1176.1-73.5171.9000111V48 G49 Q50 E54 R55 L56 F77 V81 V130V48-L52 HydrophobicContact CG1-CD1 3.57Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.45Å; V48-L52 VanDerWaalsContact O-CG 3.25Å; V48-L52 WeakPolarHBondContact O-CG 3.32Å; V48-L52 PolarHBondContact O-N 2.94Å; G49-L52 PolarHBondContact O-N 3.18Å; Q50-L52 PolarHBondContact O-N 2.76Å; L52-E54 PolarHBondContact O-N 3.09Å; L52-R55 PolarHBondContact O-N 3.39Å; L52-L56 WeakPolarHBondContact O-CB 3.19Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.27Å; L52-F77 HydrophobicContact CB-CE2 3.97Å; L52-F77 HydrophobicContact CB-CZ 4.5Å; L52-V81 HydrophobicContact CD1-CG1 4.46Å; L52-V81 HydrophobicContact CD1-CG2 3.87Å; L52-V130 HydrophobicContact CD1-CG1 4.41Å
53I97.5Very high95.6Very high1 Ų175.4 Ų75.41%0.00538%0.384CS..Hα-helixtrans-65.1-39.1-173.8-159.968.3000111.8G49 Q50 R55 L56 T57 F72 I73 F77 A134 N137 L138G49-I53 WeakPolarHBondContact O-CG2 3.38Å; G49-I53 PolarHBondContact O-N 2.83Å; Q50-I53 VanDerWaalsContact O-CG2 3.31Å; Q50-I53 WeakPolarHBondContact O-CG2 3.33Å; Q50-I53 PolarHBondContact O-N 3.47Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 2.94Å; I53-L56 PolarHBondContact O-N 2.62Å; I53-T57 HydrophobicContact CD1-CG2 3.9Å; I53-T57 HydrophobicContact CG1-CG2 3.98Å; I53-T57 PolarHBondContact O-N 3.07Å; I53-T57 PolarHBondContact O-OG1 3.07Å; I53-F72 HydrophobicContact CD1-CD1 4.22Å; I53-F72 HydrophobicContact CD1-CE1 3.61Å; I53-I73 HydrophobicContact CD1-CD1 4.22Å; I53-F77 HydrophobicContact CB-CE2 4.27Å; I53-F77 HydrophobicContact CD1-CD2 3.51Å; I53-F77 HydrophobicContact CD1-CE2 3.94Å; I53-F77 HydrophobicContact CD1-CG 4.29Å; I53-A134 HydrophobicContact CB-CB 3.95Å; I53-A134 HydrophobicContact CD1-CB 4.2Å; I53-A134 HydrophobicContact CG1-CB 4.18Å; I53-A134 HydrophobicContact CG2-CB 4.39Å; I53-N137 HydrophobicContact CG2-CB 3.48Å; I53-N137 VanDerWaalsContact CG2-CB 3.48Å; I53-L138 HydrophobicContact CD1-CD1 4.08Å; I53-L138 HydrophobicContact CG1-CD1 3.92Å; I53-L138 HydrophobicContact CG1-CD2 4.02Å; I53-L138 HydrophobicContact CG1-CG 3.87Å
54E95.4Very high95.4Very high116 Ų11682.1 Ų82.154%0.54241%0.405SS..Hα-helixtrans-54.5-46.1175.5-67.3176.2-176.500112Q50 L52 R58 N137Q50-E54 WeakPolarHBondContact O-CG 3.26Å; Q50-E54 PolarHBondContact O-N 3.46Å; L52-E54 PolarHBondContact O-N 3.09Å; E54-R58 PolarHBondContact O-N 3.27Å; E54-N137 WeakPolarHBondContact CG-ND2 3.33Å; E54-N137 PolarHBondContact OE1-ND2 2.76Å
55R95.3Very high95.2Very high210 Ų21082.8 Ų82.879%0.79241%0.41SS*.Hα-helixtrans-68.9-38.5179.4-173.5178.9179.6116.21.9111.4L52 I53L52-R55 PolarHBondContact O-N 3.39Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 2.94Å
56L94.9Very high95Very high29 Ų2985.7 Ų85.715%0.15242%0.423CS..Hα-helixtrans-79.4-21.1-174.3-67.7-174.9000113.8L52 I53 T60 F77 K80L52-L56 WeakPolarHBondContact O-CB 3.19Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.27Å; I53-L56 PolarHBondContact O-N 2.62Å; L56-T60 PolarHBondContact O-OG1 2.96Å; L56-F77 HydrophobicContact CD1-CD2 3.7Å; L56-F77 HydrophobicContact CD1-CE2 4.19Å; L56-K80 HydrophobicContact CD1-CB 3.95Å; L56-K80 HydrophobicContact CD1-CD 3.87Å; L56-K80 HydrophobicContact CD2-CB 4.41Å; L56-K80 HydrophobicContact CD2-CD 3.25Å; L56-K80 HydrophobicContact CD2-CG 4.42Å; L56-K80 HydrophobicContact CG-CD 4.07Å
57T94.9Very high94.8Very high31 Ų3187.4 Ų87.419%0.1943%0.433CS..Hα-helixtrans-105.63.1178.661.20000114.1I53 D59 T60 F63 F72 L138I53-T57 HydrophobicContact CD1-CG2 3.9Å; I53-T57 HydrophobicContact CG1-CG2 3.98Å; I53-T57 PolarHBondContact O-N 3.07Å; I53-T57 PolarHBondContact O-OG1 3.07Å; T57-D59 PolarHBondContact O-N 2.93Å; T57-D59 VanDerWaalsContact O-N 3.17Å; T57-T60 WeakPolarHBondContact CA-OG1 3.31Å; T57-T60 PolarHBondContact O-N 3.4Å; T57-F63 HydrophobicContact CG2-CE2 4.1Å; T57-F63 HydrophobicContact CG2-CZ 4.06Å; T57-F72 HydrophobicContact CG2-CD1 4.5Å; T57-F72 HydrophobicContact CG2-CE1 3.69Å; T57-F72 HydrophobicContact CG2-CZ 3.73Å; T57-L138 HydrophobicContact CG2-CD2 4.22Å
58R92.3Very high94.7Very high205 Ų20581 Ų8177%0.77441%0.412SS*.THydrogen-bonded Turntrans-48.4-44.6-179.6-177.1-176.9178.6179.10.7113.7E54E54-R58 PolarHBondContact O-N 3.27Å
59D89.3Confident94.6Very high149 Ų14978.7 Ų78.780%0.79740%0.398SS*.THydrogen-bonded Turntrans-11114.4-176.9-53.4-52.9000112T57T57-D59 PolarHBondContact O-N 2.93Å; T57-D59 VanDerWaalsContact O-N 3.17Å
60T87.4Confident94.5Very high49 Ų4978.7 Ų78.730%0.30140%0.398SS..PPolyproline II helixtrans-87.4134.9-178.8-58.70000109.6L56 T57 F63 F72L56-T60 PolarHBondContact O-OG1 2.96Å; T57-T60 WeakPolarHBondContact CA-OG1 3.31Å; T57-T60 PolarHBondContact O-N 3.4Å; T60-F63 HydrophobicContact CG2-CE1 4.13Å; T60-F63 HydrophobicContact CG2-CZ 3.86Å; T60-F72 HydrophobicContact CG2-CD2 4.43Å; T60-F72 HydrophobicContact CG2-CE2 4.15Å
61P90.1Very high94.4Very high106 Ų10681 Ų8169%0.68841%0.407SS*.PPolyproline II helixtrans-55154.7171.3-24.333.8000111.9F63P61-F63 PolarHBondContact O-N 3.16Å
62S91Very high94.4Very high113 Ų11379.8 Ų79.879%0.7939%0.39SS*.PPolyproline II helixtrans-59.3134.3176.958.60000111.3
63F95.4Very high94.4Very high58 Ų5877 Ų7725%0.25438%0.376SS..PPolyproline II helixtrans-68.9139.2174.4-57.9-74.2000110.4T57 T60 P61 I69 F72 L138T57-F63 HydrophobicContact CG2-CE2 4.1Å; T57-F63 HydrophobicContact CG2-CZ 4.06Å; T60-F63 HydrophobicContact CG2-CE1 4.13Å; T60-F63 HydrophobicContact CG2-CZ 3.86Å; P61-F63 PolarHBondContact O-N 3.16Å; F63-I69 HydrophobicContact CB-CD1 4.27Å; F63-I69 HydrophobicContact CB-CG1 3.58Å; F63-I69 HydrophobicContact CD1-CG1 4.18Å; F63-I69 HydrophobicContact CD2-CG1 3.95Å; F63-I69 HydrophobicContact CG-CG1 3.63Å; F63-F72 HydrophobicContact CD1-CB 4.48Å; F63-F72 HydrophobicContact CE1-CB 3.56Å; F63-F72 HydrophobicContact CE1-CD1 4.32Å; F63-F72 AromaticContact CE1-CD2 3.92Å; F63-F72 HydrophobicContact CE1-CD2 3.92Å; F63-F72 AromaticContact CE1-CG 3.66Å; F63-F72 HydrophobicContact CE1-CG 3.66Å; F63-F72 HydrophobicContact CZ-CB 4.06Å; F63-F72 AromaticContact CZ-CD1 3.93Å; F63-F72 HydrophobicContact CZ-CD1 3.93Å; F63-F72 AromaticContact CZ-CD2 3.98Å; F63-F72 HydrophobicContact CZ-CD2 3.98Å; F63-F72 HydrophobicContact CZ-CE1 4.41Å; F63-F72 HydrophobicContact CZ-CE2 4.43Å; F63-F72 AromaticContact CZ-CG 3.7Å; F63-F72 HydrophobicContact CZ-CG 3.7Å; F63-L138 HydrophobicContact CD2-CD2 4.25Å; F63-L138 HydrophobicContact CE2-CD1 4.28Å; F63-L138 HydrophobicContact CE2-CD2 3.74Å
64K94.1Very high94.3Very high187 Ų18777.4 Ų77.481%0.81338%0.378SS*.  trans-82.7-39.7-176.7-62.8177.9-179.2177.30112.4
65D94Very high94.3Very high82 Ų8277.5 Ų77.544%0.43938%0.377SS..SBendtrans-151.7174.9-176.26136.1000111.7L67 D68 I69D65-L67 PolarHBondContact O-N 2.91Å; D65-L67 WeakPolarHBondContact OD1-CA 3.35Å; D65-L67 WeakPolarHBondContact OD1-CB 3.3Å; D65-L67 PolarHBondContact OD1-N 3.38Å; D65-D68 PolarHBondContact O-N 3.27Å; D65-D68 PolarHBondContact OD1-N 3.06Å; D65-I69 PolarHBondContact O-N 3.02Å
66E94.6Very high94.3Very high60 Ų6071 Ų7128%0.2836%0.358SS..Hα-helixtrans-55.6-38.1177.4-176.1-173.810200112.4I69 M70 Y97 L140 I160E66-I69 WeakPolarHBondContact O-CB 3.17Å; E66-I69 PolarHBondContact O-N 3.47Å; E66-M70 WeakPolarHBondContact O-CG 3.12Å; E66-M70 PolarHBondContact O-N 3.12Å; E66-Y97 HydrophobicContact CG-CE2 4.28Å; E66-Y97 WeakPolarHBondContact OE1-CE2 3.35Å; E66-Y97 PolarHBondContact OE1-OH 2.98Å; E66-L140 HydrophobicContact CG-CD1 4.04Å; E66-L140 HydrophobicContact CG-CD2 4.45Å; E66-I160 HydrophobicContact CG-CG1 4.43Å
67L95.3Very high94.4Very high63 Ų6369.6 Ų69.633%0.3335%0.351SS..Hα-helixtrans-70.7-37-177-178.363.4000111.3D65 I69 M70 K71 Y97D65-L67 PolarHBondContact O-N 2.91Å; D65-L67 WeakPolarHBondContact OD1-CA 3.35Å; D65-L67 WeakPolarHBondContact OD1-CB 3.3Å; D65-L67 PolarHBondContact OD1-N 3.38Å; L67-I69 VanDerWaalsContact C-N 3.34Å; L67-M70 PolarHBondContact O-N 2.99Å; L67-K71 WeakPolarHBondContact O-CG 3.14Å; L67-K71 PolarHBondContact O-N 3.31Å; L67-Y97 HydrophobicContact CD1-CE1 4.11Å
68D95.8Very high94.5Very high42 Ų4268.2 Ų68.223%0.22534%0.342CS..Hα-helixtrans-65.2-37.6174.1-79.8-5.5000111.8D65 K71 F72D65-D68 PolarHBondContact O-N 3.27Å; D65-D68 PolarHBondContact OD1-N 3.06Å; D68-K71 PolarHBondContact O-N 2.89Å; D68-K71 IonicContact OD1-NZ 3.07Å; D68-K71 PolarHBondContact OD1-NZ 3.29Å; D68-F72 PolarHBondContact O-N 3.08Å; D68-F72 VanDerWaalsContact O-N 3.08Å
69I96.9Very high94.6Very high14 Ų1460.8 Ų60.87%0.07232%0.319CS..Hα-helixtrans-60.6-50170.2-66.8168.4000110.3F63 D65 E66 L67 K71 F72 I73 L135 L138 L140F63-I69 HydrophobicContact CB-CD1 4.27Å; F63-I69 HydrophobicContact CB-CG1 3.58Å; F63-I69 HydrophobicContact CD1-CG1 4.18Å; F63-I69 HydrophobicContact CD2-CG1 3.95Å; F63-I69 HydrophobicContact CG-CG1 3.63Å; D65-I69 PolarHBondContact O-N 3.02Å; E66-I69 WeakPolarHBondContact O-CB 3.17Å; E66-I69 PolarHBondContact O-N 3.47Å; L67-I69 VanDerWaalsContact C-N 3.34Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.09Å; I69-F72 WeakPolarHBondContact O-CB 3.43Å; I69-F72 PolarHBondContact O-N 3.42Å; I69-F72 VanDerWaalsContact O-N 3.11Å; I69-I73 HydrophobicContact CG2-CG1 4.36Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 2.91Å; I69-L135 HydrophobicContact CG2-CD2 3.88Å; I69-L138 HydrophobicContact CD1-CB 4.35Å; I69-L138 HydrophobicContact CG2-CB 4.31Å; I69-L138 HydrophobicContact CG2-CD1 3.55Å; I69-L140 HydrophobicContact CB-CD1 4.05Å; I69-L140 HydrophobicContact CD1-CD1 3.73Å; I69-L140 HydrophobicContact CD1-CG 4Å; I69-L140 HydrophobicContact CG1-CD1 4.49Å; I69-L140 HydrophobicContact CG2-CD1 3.72Å
70M97.4Very high94.8Very high0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-62.3-36.1-179.4-69.1-54-59.900112.7E66 L67 I73 C74 Y97 L99 L135 V158E66-M70 WeakPolarHBondContact O-CG 3.12Å; E66-M70 PolarHBondContact O-N 3.12Å; L67-M70 PolarHBondContact O-N 2.99Å; M70-I73 PolarHBondContact O-N 3.37Å; M70-C74 WeakPolarHBondContact O-CB 3.46Å; M70-C74 PolarHBondContact O-N 3Å; M70-C74 PolarHBondContact O-SG 3.32Å; M70-Y97 HydrophobicContact CB-CD1 4.27Å; M70-Y97 HydrophobicContact CB-CE1 4.18Å; M70-Y97 HydrophobicContact CE-CD1 4.32Å; M70-Y97 HydrophobicContact CE-CD2 4.23Å; M70-Y97 HydrophobicContact CE-CG 3.87Å; M70-Y97 HydrophobicContact CG-CD1 3.96Å; M70-Y97 HydrophobicContact CG-CD2 4.05Å; M70-Y97 HydrophobicContact CG-CE1 3.84Å; M70-Y97 HydrophobicContact CG-CE2 3.93Å; M70-Y97 HydrophobicContact CG-CG 4.07Å; M70-Y97 HydrophobicContact SD-CD2 4.33Å; M70-Y97 HydrophobicContact SD-CG 4.45Å; M70-L99 HydrophobicContact CE-CD1 3.73Å; M70-L135 HydrophobicContact SD-CD1 4.46Å; M70-L135 HydrophobicContact SD-CD2 3.78Å; M70-V158 HydrophobicContact CE-CB 4.34Å; M70-V158 HydrophobicContact CE-CG1 4.41Å; M70-V158 HydrophobicContact CE-CG2 4.27Å
71K95.8Very high95.1Very high88 Ų8857.3 Ų57.338%0.38330%0.296SS..Hα-helixtrans-63.1-43.9173-73.2172.4-162.5146.40111.8L67 D68 I69 I73 C74 K75L67-K71 WeakPolarHBondContact O-CG 3.14Å; L67-K71 PolarHBondContact O-N 3.31Å; D68-K71 PolarHBondContact O-N 2.89Å; D68-K71 IonicContact OD1-NZ 3.07Å; D68-K71 PolarHBondContact OD1-NZ 3.29Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.09Å; K71-I73 VanDerWaalsContact C-N 3.33Å; K71-C74 PolarHBondContact O-N 3.44Å; K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 WeakPolarHBondContact O-CG 3.35Å; K71-K75 PolarHBondContact O-N 3.19Å
72F96.6Very high95.2Very high14 Ų1452.4 Ų52.46%0.06126%0.263CS..Hα-helixtrans-62.3-42.5175.9179.2-90.2000111.4I53 T57 T60 F63 D68 I69 C74 K75 D76 F77I53-F72 HydrophobicContact CD1-CD1 4.22Å; I53-F72 HydrophobicContact CD1-CE1 3.61Å; T57-F72 HydrophobicContact CG2-CD1 4.5Å; T57-F72 HydrophobicContact CG2-CE1 3.69Å; T57-F72 HydrophobicContact CG2-CZ 3.73Å; T60-F72 HydrophobicContact CG2-CD2 4.43Å; T60-F72 HydrophobicContact CG2-CE2 4.15Å; F63-F72 HydrophobicContact CD1-CB 4.48Å; F63-F72 HydrophobicContact CE1-CB 3.56Å; F63-F72 HydrophobicContact CE1-CD1 4.32Å; F63-F72 AromaticContact CE1-CD2 3.92Å; F63-F72 HydrophobicContact CE1-CD2 3.92Å; F63-F72 AromaticContact CE1-CG 3.66Å; F63-F72 HydrophobicContact CE1-CG 3.66Å; F63-F72 HydrophobicContact CZ-CB 4.06Å; F63-F72 AromaticContact CZ-CD1 3.93Å; F63-F72 HydrophobicContact CZ-CD1 3.93Å; F63-F72 AromaticContact CZ-CD2 3.98Å; F63-F72 HydrophobicContact CZ-CD2 3.98Å; F63-F72 HydrophobicContact CZ-CE1 4.41Å; F63-F72 HydrophobicContact CZ-CE2 4.43Å; F63-F72 AromaticContact CZ-CG 3.7Å; F63-F72 HydrophobicContact CZ-CG 3.7Å; D68-F72 PolarHBondContact O-N 3.08Å; D68-F72 VanDerWaalsContact O-N 3.08Å; I69-F72 WeakPolarHBondContact O-CB 3.43Å; I69-F72 PolarHBondContact O-N 3.42Å; I69-F72 VanDerWaalsContact O-N 3.11Å; F72-C74 VanDerWaalsContact C-N 3.34Å; F72-C74 PolarHBondContact O-N 2.87Å; F72-K75 PolarHBondContact O-N 3.38Å; F72-D76 HydrophobicContact CD2-CB 3.65Å; F72-D76 HydrophobicContact CE1-CB 4.43Å; F72-D76 HydrophobicContact CE2-CB 3.45Å; F72-D76 VanDerWaalsContact CE2-CB 3.45Å; F72-D76 HydrophobicContact CG-CB 4.25Å; F72-D76 HydrophobicContact CZ-CB 3.89Å; F72-D76 PolarHBondContact O-N 3Å; F72-F77 HydrophobicContact CD1-CB 4.39Å; F72-F77 HydrophobicContact CE1-CB 4.18Å; F72-F77 PolarHBondContact O-N 2.98Å
73I97.8Very high95.2Very high0 Ų052.8 Ų52.80%025%0.248CC..Iπ-helixtrans-58.4-46.8175.2-67.8-65.1000110.9I53 I69 M70 K71 K75 F77 W78 L99 V131 A134 L135 L138I53-I73 HydrophobicContact CD1-CD1 4.22Å; I69-I73 HydrophobicContact CG2-CG1 4.36Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 2.91Å; M70-I73 PolarHBondContact O-N 3.37Å; K71-I73 VanDerWaalsContact C-N 3.33Å; I73-K75 PolarHBondContact O-N 3.29Å; I73-F77 HydrophobicContact CD1-CB 4.13Å; I73-F77 HydrophobicContact CD1-CD1 4.08Å; I73-F77 HydrophobicContact CD1-CG 4.02Å; I73-F77 HydrophobicContact CG2-CD1 4.48Å; I73-W78 WeakPolarHBondContact O-CB 3.47Å; I73-W78 PolarHBondContact O-N 3.45Å; I73-L99 HydrophobicContact CG2-CD2 4.13Å; I73-V131 HydrophobicContact CG2-CG1 4.38Å; I73-A134 HydrophobicContact CD1-CB 3.91Å; I73-L135 HydrophobicContact CD1-CD2 4.41Å; I73-L135 HydrophobicContact CG1-CD2 3.91Å; I73-L138 HydrophobicContact CD1-CD1 4.43Å
74C97Very high94.9Very high9 Ų953.4 Ų53.46%0.06125%0.248CC..Iπ-helixtrans-71.8-27.5-176.3-66.50000114.6M70 K71 F72 W78 V86M70-C74 WeakPolarHBondContact O-CB 3.46Å; M70-C74 PolarHBondContact O-N 3Å; M70-C74 PolarHBondContact O-SG 3.32Å; K71-C74 PolarHBondContact O-N 3.44Å; F72-C74 VanDerWaalsContact C-N 3.34Å; F72-C74 PolarHBondContact O-N 2.87Å; C74-W78 WeakPolarHBondContact O-CB 3.4Å; C74-V86 HydrophobicContact CB-CB 4Å; C74-V86 HydrophobicContact CB-CG2 4Å; C74-V86 PolarHBondContact O-N 3.44Å; C74-V86 VanDerWaalsContact O-N 3.15Å
75K94.6Very high94.7Very high118 Ų11850 Ų5051%0.51324%0.235SC..Iπ-helixtrans-103.4-75.7-175.5-66.5-175.2176.4-174.20110.8K71 F72 I73 T79K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 WeakPolarHBondContact O-CG 3.35Å; K71-K75 PolarHBondContact O-N 3.19Å; F72-K75 PolarHBondContact O-N 3.38Å; I73-K75 PolarHBondContact O-N 3.29Å; K75-T79 WeakPolarHBondContact O-CB 3.46Å; K75-T79 PolarHBondContact O-N 3.28Å; K75-T79 PolarHBondContact O-OG1 3.49Å
76D95.4Very high94.9Very high74 Ų7447.1 Ų47.140%0.39622%0.22SC..Iπ-helixtrans-70-50.1-170.9-63.1-99.7000112.4F72 K80F72-D76 HydrophobicContact CD2-CB 3.65Å; F72-D76 HydrophobicContact CE1-CB 4.43Å; F72-D76 HydrophobicContact CE2-CB 3.45Å; F72-D76 VanDerWaalsContact CE2-CB 3.45Å; F72-D76 HydrophobicContact CG-CB 4.25Å; F72-D76 HydrophobicContact CZ-CB 3.89Å; F72-D76 PolarHBondContact O-N 3Å; D76-K80 WeakPolarHBondContact O-CB 3.5Å; D76-K80 VanDerWaalsContact O-CG 3.23Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 2.67Å
77F96.7Very high95Very high0 Ų047.9 Ų47.90%023%0.226CC..Iπ-helixtrans-67.2-51.7-178.8-175.6-98000110.8L52 I53 L56 F72 I73 T79 K80 V81 V130 A134L52-F77 HydrophobicContact CB-CE2 3.97Å; L52-F77 HydrophobicContact CB-CZ 4.5Å; I53-F77 HydrophobicContact CB-CE2 4.27Å; I53-F77 HydrophobicContact CD1-CD2 3.51Å; I53-F77 HydrophobicContact CD1-CE2 3.94Å; I53-F77 HydrophobicContact CD1-CG 4.29Å; L56-F77 HydrophobicContact CD1-CD2 3.7Å; L56-F77 HydrophobicContact CD1-CE2 4.19Å; F72-F77 HydrophobicContact CD1-CB 4.39Å; F72-F77 HydrophobicContact CE1-CB 4.18Å; F72-F77 PolarHBondContact O-N 2.98Å; I73-F77 HydrophobicContact CD1-CB 4.13Å; I73-F77 HydrophobicContact CD1-CD1 4.08Å; I73-F77 HydrophobicContact CD1-CG 4.02Å; I73-F77 HydrophobicContact CG2-CD1 4.48Å; F77-T79 VanDerWaalsContact C-N 3.28Å; F77-T79 PolarHBondContact O-N 3.25Å; F77-K80 PolarHBondContact O-N 2.88Å; F77-K80 VanDerWaalsContact O-N 3.09Å; F77-V81 HydrophobicContact CD1-CG2 4.21Å; F77-V81 HydrophobicContact CD2-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.96Å; F77-V81 HydrophobicContact CE2-CG2 3.99Å; F77-V81 HydrophobicContact CG-CG2 4.34Å; F77-V81 HydrophobicContact CZ-CG2 3.84Å; F77-V81 WeakPolarHBondContact O-CG2 3.28Å; F77-V81 PolarHBondContact O-N 2.82Å; F77-V130 HydrophobicContact CE1-CG1 3.78Å; F77-V130 HydrophobicContact CZ-CG1 3.62Å; F77-A134 HydrophobicContact CD2-CB 4.43Å; F77-A134 HydrophobicContact CE1-CB 4Å; F77-A134 HydrophobicContact CE2-CB 3.79Å; F77-A134 HydrophobicContact CZ-CB 3.54Å
78W96.9Very high95.1Very high1 Ų147.9 Ų47.90%0.00423%0.226CC..Hα-helixtrans-55.6-43.3178.6-149.1-100.2000111.9I73 C74 K80 V81 F82 R83 R84 V86 L99 D101 F104 V131 F156I73-W78 WeakPolarHBondContact O-CB 3.47Å; I73-W78 PolarHBondContact O-N 3.45Å; C74-W78 WeakPolarHBondContact O-CB 3.4Å; W78-K80 PolarHBondContact O-N 2.9Å; W78-V81 PolarHBondContact O-N 2.92Å; W78-F82 AromaticContact CD2-CD2 3.55Å; W78-F82 HydrophobicContact CD2-CD2 3.55Å; W78-F82 HydrophobicContact CD2-CE2 4Å; W78-F82 AromaticContact CE2-CD2 3.57Å; W78-F82 AromaticContact CE3-CD2 3.95Å; W78-F82 HydrophobicContact CE3-CD2 3.95Å; W78-F82 AromaticContact CE3-CE2 3.91Å; W78-F82 HydrophobicContact CE3-CE2 3.91Å; W78-F82 AromaticContact CG-CD2 3.94Å; W78-F82 HydrophobicContact CG-CD2 3.94Å; W78-F82 HydrophobicContact CH2-CD2 4.27Å; W78-F82 AromaticContact CH2-CE2 3.93Å; W78-F82 HydrophobicContact CH2-CE2 3.93Å; W78-F82 AromaticContact CZ2-CD2 3.93Å; W78-F82 HydrophobicContact CZ2-CD2 3.93Å; W78-F82 HydrophobicContact CZ2-CE2 4.05Å; W78-F82 HydrophobicContact CZ3-CD2 4.3Å; W78-F82 AromaticContact CZ3-CE2 3.9Å; W78-F82 HydrophobicContact CZ3-CE2 3.9Å; W78-F82 AromaticContact NE1-CD2 3.95Å; W78-F82 WeakPolarHBondContact O-CA 3.3Å; W78-F82 PolarHBondContact O-N 2.8Å; W78-R83 PolarHBondContact O-N 3.05Å; W78-R84 CarbonylContact C-O 3.11Å; W78-V86 HydrophobicContact CB-CG2 4.06Å; W78-V86 HydrophobicContact CD2-CG2 3.52Å; W78-V86 HydrophobicContact CE3-CG2 3.97Å; W78-V86 HydrophobicContact CG-CG2 3.53Å; W78-L99 HydrophobicContact CE3-CD2 4.4Å; W78-L99 HydrophobicContact CZ3-CD2 4.16Å; W78-D101 PolarHBondContact NE1-OD2 3.33Å; W78-F104 HydrophobicContact CH2-CE2 4.38Å; W78-F104 AromaticContact CZ2-CD2 3.99Å; W78-F104 HydrophobicContact CZ2-CD2 3.99Å; W78-F104 AromaticContact CZ2-CE2 3.59Å; W78-F104 HydrophobicContact CZ2-CE2 3.59Å; W78-V131 HydrophobicContact CE3-CG2 4.45Å; W78-V131 HydrophobicContact CH2-CG2 4.24Å; W78-V131 HydrophobicContact CZ3-CG2 3.53Å; W78-F156 HydrophobicContact CH2-CD1 4.44Å; W78-F156 AromaticContact CH2-CD2 3.46Å; W78-F156 HydrophobicContact CH2-CD2 3.46Å; W78-F156 VanDerWaalsContact CH2-CD2 3.46Å; W78-F156 HydrophobicContact CH2-CE1 4.45Å; W78-F156 AromaticContact CH2-CE2 3.45Å; W78-F156 HydrophobicContact CH2-CE2 3.45Å; W78-F156 VanDerWaalsContact CH2-CE2 3.45Å; W78-F156 AromaticContact CH2-CG 3.97Å; W78-F156 HydrophobicContact CH2-CG 3.97Å; W78-F156 AromaticContact CH2-CZ 3.98Å; W78-F156 HydrophobicContact CH2-CZ 3.98Å; W78-F156 AromaticContact CZ2-CD2 3.86Å; W78-F156 HydrophobicContact CZ2-CD2 3.86Å; W78-F156 AromaticContact CZ2-CE2 3.6Å; W78-F156 HydrophobicContact CZ2-CE2 3.6Å; W78-F156 HydrophobicContact CZ2-CZ 4.34Å
79T94.2Very high95.2Very high49 Ų4948.8 Ų48.830%0.30123%0.231SC..Hα-helixtrans-67.5-36.9179.6-55.90000112K75 F77 R83 R84 Q85K75-T79 WeakPolarHBondContact O-CB 3.46Å; K75-T79 PolarHBondContact O-N 3.28Å; K75-T79 PolarHBondContact O-OG1 3.49Å; F77-T79 VanDerWaalsContact C-N 3.28Å; F77-T79 PolarHBondContact O-N 3.25Å; T79-R83 WeakPolarHBondContact O-CA 3.48Å; T79-R83 PolarHBondContact O-N 3Å; T79-R84 WeakPolarHBondContact CA-O 3.46Å; T79-R84 PolarHBondContact N-O 2.82Å; T79-R84 PolarHBondContact OG1-O 2.82Å; T79-Q85 WeakPolarHBondContact OG1-CG 3.46Å
80K93.7Very high95.2Very high97 Ų9755.1 Ų55.142%0.42225%0.254SS..Hα-helixtrans-74.2-32.3179.4-70.8-179.7-167.6172.10112.4L56 D76 F77 W78L56-K80 HydrophobicContact CD1-CB 3.95Å; L56-K80 HydrophobicContact CD1-CD 3.87Å; L56-K80 HydrophobicContact CD2-CB 4.41Å; L56-K80 HydrophobicContact CD2-CD 3.25Å; L56-K80 HydrophobicContact CD2-CG 4.42Å; L56-K80 HydrophobicContact CG-CD 4.07Å; D76-K80 WeakPolarHBondContact O-CB 3.5Å; D76-K80 VanDerWaalsContact O-CG 3.23Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 2.67Å; F77-K80 PolarHBondContact O-N 2.88Å; F77-K80 VanDerWaalsContact O-N 3.09Å; W78-K80 PolarHBondContact O-N 2.9Å
81V93.5Very high95.2Very high29 Ų2957 Ų5718%0.17627%0.266CS..Hα-helixtrans-88.9-47.9-177.4-179.40000112.4L52 F77 W78 V130L52-V81 HydrophobicContact CD1-CG1 4.46Å; L52-V81 HydrophobicContact CD1-CG2 3.87Å; F77-V81 HydrophobicContact CD1-CG2 4.21Å; F77-V81 HydrophobicContact CD2-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.96Å; F77-V81 HydrophobicContact CE2-CG2 3.99Å; F77-V81 HydrophobicContact CG-CG2 4.34Å; F77-V81 HydrophobicContact CZ-CG2 3.84Å; F77-V81 WeakPolarHBondContact O-CG2 3.28Å; F77-V81 PolarHBondContact O-N 2.82Å; W78-V81 PolarHBondContact O-N 2.92Å; V81-V130 HydrophobicContact CG1-CG1 4.21Å
82F93.1Very high95.2Very high3 Ų356.4 Ų56.41%0.01327%0.267CS..Hα-helixtrans-111.85.7-172.7-54.8-67.4000113.5W78 R84 F104 L106W78-F82 AromaticContact CD2-CD2 3.55Å; W78-F82 HydrophobicContact CD2-CD2 3.55Å; W78-F82 HydrophobicContact CD2-CE2 4Å; W78-F82 AromaticContact CE2-CD2 3.57Å; W78-F82 AromaticContact CE3-CD2 3.95Å; W78-F82 HydrophobicContact CE3-CD2 3.95Å; W78-F82 AromaticContact CE3-CE2 3.91Å; W78-F82 HydrophobicContact CE3-CE2 3.91Å; W78-F82 AromaticContact CG-CD2 3.94Å; W78-F82 HydrophobicContact CG-CD2 3.94Å; W78-F82 HydrophobicContact CH2-CD2 4.27Å; W78-F82 AromaticContact CH2-CE2 3.93Å; W78-F82 HydrophobicContact CH2-CE2 3.93Å; W78-F82 AromaticContact CZ2-CD2 3.93Å; W78-F82 HydrophobicContact CZ2-CD2 3.93Å; W78-F82 HydrophobicContact CZ2-CE2 4.05Å; W78-F82 HydrophobicContact CZ3-CD2 4.3Å; W78-F82 AromaticContact CZ3-CE2 3.9Å; W78-F82 HydrophobicContact CZ3-CE2 3.9Å; W78-F82 AromaticContact NE1-CD2 3.95Å; W78-F82 WeakPolarHBondContact O-CA 3.3Å; W78-F82 PolarHBondContact O-N 2.8Å; F82-R84 PolarHBondContact O-N 2.91Å; F82-F104 HydrophobicContact CB-CE2 4.35Å; F82-F104 AromaticContact CD1-CE2 3.68Å; F82-F104 HydrophobicContact CD1-CE2 3.68Å; F82-F104 AromaticContact CD1-CZ 3.82Å; F82-F104 HydrophobicContact CD1-CZ 3.82Å; F82-F104 HydrophobicContact CD2-CE2 4.12Å; F82-F104 AromaticContact CE1-CE2 3.92Å; F82-F104 HydrophobicContact CE1-CE2 3.92Å; F82-F104 AromaticContact CE1-CZ 3.66Å; F82-F104 HydrophobicContact CE1-CZ 3.66Å; F82-F104 HydrophobicContact CE2-CE2 4.32Å; F82-F104 AromaticContact CG-CE2 3.79Å; F82-F104 HydrophobicContact CG-CE2 3.79Å; F82-F104 HydrophobicContact CG-CZ 4.37Å; F82-F104 HydrophobicContact CZ-CE2 4.23Å; F82-F104 HydrophobicContact CZ-CZ 4.08Å; F82-L106 HydrophobicContact CE1-CD1 4.2Å
83R89.4Confident95Very high121 Ų12163.4 Ų63.446%0.45730%0.299SS..SBendtrans59.317177.3-53.2-57.9-164.4-177.53.3114.8D4 W78 T79D4-R83 IonicContact OD1-CZ 2.88Å; D4-R83 IonicContact OD1-NE 3.17Å; D4-R83 PolarHBondContact OD1-NE 3.35Å; D4-R83 VanDerWaalsContact OD1-NE 3.14Å; D4-R83 IonicContact OD1-NH2 2.67Å; D4-R83 PolarHBondContact OD1-NH2 3.48Å; D4-R83 IonicContact OD2-NE 3.42Å; W78-R83 PolarHBondContact O-N 3.05Å; T79-R83 WeakPolarHBondContact O-CA 3.48Å; T79-R83 PolarHBondContact O-N 3Å
84R89.8Confident94.8Very high71 Ų7170.1 Ų70.127%0.26833%0.331SS..SBendtrans-136.3158.9177.3-71.8177.558.992.36.6109.7W78 T79 F82 D87 D101 K103W78-R84 CarbonylContact C-O 3.11Å; T79-R84 WeakPolarHBondContact CA-O 3.46Å; T79-R84 PolarHBondContact N-O 2.82Å; T79-R84 PolarHBondContact OG1-O 2.82Å; F82-R84 PolarHBondContact O-N 2.91Å; R84-D87 IonicContact NH2-OD1 3.79Å; R84-D87 IonicContact NH2-OD2 3.95Å; R84-D87 PolarHBondContact NH2-OD2 3.31Å; R84-D87 VanDerWaalsContact NH2-OD2 3.17Å; R84-D101 IonicContact CZ-OD1 3.56Å; R84-D101 IonicContact NE-OD1 3.04Å; R84-D101 PolarHBondContact NE-OD1 3Å; R84-D101 IonicContact NE-OD2 3.72Å; R84-D101 IonicContact NH2-OD1 3.27Å; R84-D101 PolarHBondContact NH2-OD1 3.31Å; R84-K103 VanDerWaalsContact CD-O 3.23Å; R84-K103 WeakPolarHBondContact CD-O 3.4Å; R84-K103 PolarHBondContact NE-O 3Å
85Q91.3Very high94.6Very high116 Ų11670 Ų7054%0.54233%0.33SS..  trans-90.3150.8163.3-68.5179.728.100108.8T79 D87T79-Q85 WeakPolarHBondContact OG1-CG 3.46Å; Q85-D87 PolarHBondContact O-N 3.41Å
86V96.8Very high94.7Very high20 Ų2065.8 Ų65.812%0.12132%0.315CS..  trans-59.8129167.8176.20000108.6C74 W78 N88 L99 Q100C74-V86 HydrophobicContact CB-CB 4Å; C74-V86 HydrophobicContact CB-CG2 4Å; C74-V86 PolarHBondContact O-N 3.44Å; C74-V86 VanDerWaalsContact O-N 3.15Å; W78-V86 HydrophobicContact CB-CG2 4.06Å; W78-V86 HydrophobicContact CD2-CG2 3.52Å; W78-V86 HydrophobicContact CE3-CG2 3.97Å; W78-V86 HydrophobicContact CG-CG2 3.53Å; V86-N88 VanDerWaalsContact CG1-O 3.3Å; V86-N88 WeakPolarHBondContact CG1-O 3.45Å; V86-L99 HydrophobicContact CG1-CB 3.85Å; V86-L99 HydrophobicContact CG1-CG 4.37Å; V86-L99 HydrophobicContact CG2-CB 4.26Å; V86-L99 HydrophobicContact CG2-CD2 4.21Å; V86-L99 HydrophobicContact CG2-CG 4.48Å; V86-Q100 VanDerWaalsContact CG1-O 3.28Å; V86-Q100 WeakPolarHBondContact CG1-O 3.35Å
87D97.8Very high94.9Very high77 Ų7762.7 Ų62.741%0.41230%0.298SS..SBendtrans-70.3-36-178.3-70.3-96.3000112R84 Q85 Q100 D101 N102R84-D87 IonicContact NH2-OD1 3.79Å; R84-D87 IonicContact NH2-OD2 3.95Å; R84-D87 PolarHBondContact NH2-OD2 3.31Å; R84-D87 VanDerWaalsContact NH2-OD2 3.17Å; Q85-D87 PolarHBondContact O-N 3.41Å; D87-Q100 WeakPolarHBondContact CB-O 3.34Å; D87-Q100 PolarHBondContact N-O 3.07Å; D87-D101 WeakPolarHBondContact OD2-CA 3.48Å; D87-N102 VanDerWaalsContact CB-ND2 3.32Å; D87-N102 WeakPolarHBondContact CB-ND2 3.37Å; D87-N102 PolarHBondContact OD1-ND2 3.26Å; D87-N102 VanDerWaalsContact OD1-ND2 3.1Å; D87-N102 PolarHBondContact OD2-N 2.98Å
88N97.3Very high95Very high62 Ų6264.6 Ų64.633%0.33231%0.309SS..EExtended strand (participates in β ladder)trans-146.8129.6-179.9-162.4-46.7000111.8V86 R90 Q100V86-N88 VanDerWaalsContact CG1-O 3.3Å; V86-N88 WeakPolarHBondContact CG1-O 3.45Å; N88-R90 VanDerWaalsContact OD1-CG 3.3Å; N88-R90 WeakPolarHBondContact OD1-CG 3.17Å; N88-Q100 HydrophobicContact CB-CB 4.04Å; N88-Q100 PolarHBondContact N-O 3.45Å; N88-Q100 PolarHBondContact O-N 3.25Å
89L97Very high95Very high61 Ų6164.6 Ų64.632%0.31931%0.309SS..EExtended strand (participates in β ladder)trans-108.9121.3169.4175.962.7000109.1Y97 V98 L99L89-Y97 HydrophobicContact CD1-CD1 4.04Å; L89-V98 WeakPolarHBondContact CA-O 3.23Å; L89-L99 HydrophobicContact CD1-CD1 3.89Å; L89-L99 HydrophobicContact CD1-CG 4.11Å
90R97.4Very high95.2Very high147 Ų14764.1 Ų64.156%0.55530%0.303SS*.EExtended strand (participates in β ladder)trans-114.9148.6171.2-55.6-176.1-177.3-172.8-0.4109.9N88 Y97 V98N88-R90 VanDerWaalsContact OD1-CG 3.3Å; N88-R90 WeakPolarHBondContact OD1-CG 3.17Å; R90-Y97 CarbonylContact O-C 3.58Å; R90-Y97 VanDerWaalsContact O-CA 3.24Å; R90-Y97 WeakPolarHBondContact O-CA 3.47Å; R90-V98 HydrophobicContact CB-CB 4.36Å; R90-V98 PolarHBondContact N-O 3.38Å; R90-V98 PolarHBondContact O-N 3.27Å
91T96.8Very high95.4Very high41 Ų4159.5 Ų59.525%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-141.6150.3172.9-177.20000110.3H93 T96 Y97T91-H93 VanDerWaalsContact C-N 3.33Å; T91-H93 PolarHBondContact OG1-N 2.78Å; T91-T96 VanDerWaalsContact CA-O 3.26Å; T91-T96 WeakPolarHBondContact CA-O 3.38Å; T91-T96 PolarHBondContact OG1-O 3.39Å; T91-Y97 VanDerWaalsContact CB-CD1 3.49Å; T91-Y97 HydrophobicContact CG2-CD1 4.5Å; T91-Y97 HydrophobicContact CG2-CE1 4.21Å; T91-Y97 WeakPolarHBondContact OG1-CE1 3.24Å
92N95.8Very high95.5Very high74 Ų7461.1 Ų61.140%0.39629%0.291SS..  trans-91.25.2168.569.1-7.9000112.8Q94 T96N92-Q94 PolarHBondContact O-N 3.4Å; N92-Q94 WeakPolarHBondContact OD1-CA 3.38Å; N92-Q94 PolarHBondContact OD1-N 2.79Å; N92-T96 PolarHBondContact N-O 3.41Å; N92-T96 VanDerWaalsContact N-O 3.11Å; N92-T96 WeakPolarHBondContact ND2-CB 3.31Å; N92-T96 WeakPolarHBondContact OD1-CB 3.32Å; N92-T96 PolarHBondContact OD1-N 3.39Å; N92-T96 PolarHBondContact OD1-O 3.11Å
93H92.4Very high95.6Very high162 Ų16267.1 Ų67.175%0.7532%0.317SS*.SBendtrans57.316.2-173.5-54.8-79.3000114.5T91T91-H93 VanDerWaalsContact C-N 3.33Å; T91-H93 PolarHBondContact OG1-N 2.78Å
94Q93.1Very high95.9Very high141 Ų14161.3 Ų61.366%0.65930%0.295SS*.SBendtrans-123.824179.6-63.8-178.5-22.600111.5N92N92-Q94 PolarHBondContact O-N 3.4Å; N92-Q94 WeakPolarHBondContact OD1-CA 3.38Å; N92-Q94 PolarHBondContact OD1-N 2.79Å
95G93.5Very high96Very high5 Ų558.9 Ų58.95%0.05229%0.289CS..SBendtrans88.111.1178.400000114.5I160G95-I160 PolarHBondContact O-N 2.84Å
96T97.6Very high96.1Very high30 Ų3053.8 Ų53.818%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-110.5126.5170.3-55.50000110.8T91 N92 Q157 V158 V159T91-T96 VanDerWaalsContact CA-O 3.26Å; T91-T96 WeakPolarHBondContact CA-O 3.38Å; T91-T96 PolarHBondContact OG1-O 3.39Å; N92-T96 PolarHBondContact N-O 3.41Å; N92-T96 VanDerWaalsContact N-O 3.11Å; N92-T96 WeakPolarHBondContact ND2-CB 3.31Å; N92-T96 WeakPolarHBondContact OD1-CB 3.32Å; N92-T96 PolarHBondContact OD1-N 3.39Å; N92-T96 PolarHBondContact OD1-O 3.11Å; T96-Q157 HydrophobicContact CG2-CG 4.06Å; T96-V158 CarbonylContact C-O 3.49Å; T96-V158 WeakPolarHBondContact CA-O 3.45Å; T96-V159 HydrophobicContact CG2-CG2 4.21Å
97Y98.4Very high95.9Very high10 Ų1052.9 Ų52.94%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-120.8148.7177-60.4-94.9000110.7E66 L67 M70 L89 R90 T91 Q157 V158 I160E66-Y97 HydrophobicContact CG-CE2 4.28Å; E66-Y97 WeakPolarHBondContact OE1-CE2 3.35Å; E66-Y97 PolarHBondContact OE1-OH 2.98Å; L67-Y97 HydrophobicContact CD1-CE1 4.11Å; M70-Y97 HydrophobicContact CB-CD1 4.27Å; M70-Y97 HydrophobicContact CB-CE1 4.18Å; M70-Y97 HydrophobicContact CE-CD1 4.32Å; M70-Y97 HydrophobicContact CE-CD2 4.23Å; M70-Y97 HydrophobicContact CE-CG 3.87Å; M70-Y97 HydrophobicContact CG-CD1 3.96Å; M70-Y97 HydrophobicContact CG-CD2 4.05Å; M70-Y97 HydrophobicContact CG-CE1 3.84Å; M70-Y97 HydrophobicContact CG-CE2 3.93Å; M70-Y97 HydrophobicContact CG-CG 4.07Å; M70-Y97 HydrophobicContact SD-CD2 4.33Å; M70-Y97 HydrophobicContact SD-CG 4.45Å; L89-Y97 HydrophobicContact CD1-CD1 4.04Å; R90-Y97 CarbonylContact O-C 3.58Å; R90-Y97 VanDerWaalsContact O-CA 3.24Å; R90-Y97 WeakPolarHBondContact O-CA 3.47Å; T91-Y97 VanDerWaalsContact CB-CD1 3.49Å; T91-Y97 HydrophobicContact CG2-CD1 4.5Å; T91-Y97 HydrophobicContact CG2-CE1 4.21Å; T91-Y97 WeakPolarHBondContact OG1-CE1 3.24Å; Y97-Q157 CarbonylContact O-C 3.5Å; Y97-Q157 WeakPolarHBondContact O-CA 2.95Å; Y97-V158 PolarHBondContact N-O 2.98Å; Y97-V158 PolarHBondContact O-N 3.32Å; Y97-I160 HydrophobicContact CD2-CG1 4.32Å; Y97-I160 HydrophobicContact CE2-CG1 4.06Å
98V98.4Very high95.6Very high40 Ų4052.4 Ų52.424%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-128.5117.5173.5-177.90000108.6L89 R90 K155 F156 Q157L89-V98 WeakPolarHBondContact CA-O 3.23Å; R90-V98 HydrophobicContact CB-CB 4.36Å; R90-V98 PolarHBondContact N-O 3.38Å; R90-V98 PolarHBondContact O-N 3.27Å; V98-K155 HydrophobicContact CG1-CB 4.05Å; V98-K155 HydrophobicContact CG1-CD 4.21Å; V98-K155 HydrophobicContact CG1-CG 4.34Å; V98-F156 CarbonylContact C-O 3.6Å; V98-F156 WeakPolarHBondContact CA-O 3.09Å; V98-Q157 HydrophobicContact CG2-CG 4.42Å
99L98.2Very high95.1Very high1 Ų154.9 Ų54.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-103.2114.7178.7-68.566.7000107.6M70 I73 W78 V86 L89 K155 F156 V158M70-L99 HydrophobicContact CE-CD1 3.73Å; I73-L99 HydrophobicContact CG2-CD2 4.13Å; W78-L99 HydrophobicContact CE3-CD2 4.4Å; W78-L99 HydrophobicContact CZ3-CD2 4.16Å; V86-L99 HydrophobicContact CG1-CB 3.85Å; V86-L99 HydrophobicContact CG1-CG 4.37Å; V86-L99 HydrophobicContact CG2-CB 4.26Å; V86-L99 HydrophobicContact CG2-CD2 4.21Å; V86-L99 HydrophobicContact CG2-CG 4.48Å; L89-L99 HydrophobicContact CD1-CD1 3.89Å; L89-L99 HydrophobicContact CD1-CG 4.11Å; L99-K155 CarbonylContact O-C 3.56Å; L99-K155 WeakPolarHBondContact O-CA 3.14Å; L99-F156 HydrophobicContact CB-CB 4.29Å; L99-F156 PolarHBondContact N-O 3.35Å; L99-F156 PolarHBondContact O-N 3Å; L99-V158 HydrophobicContact CD1-CG2 3.93Å
100Q98.2Very high94.7Very high38 Ų3853.8 Ų53.818%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-103.2127.8179.1-176.5176.4-27.200110.4V86 D87 N88 N102 K155V86-Q100 VanDerWaalsContact CG1-O 3.28Å; V86-Q100 WeakPolarHBondContact CG1-O 3.35Å; D87-Q100 WeakPolarHBondContact CB-O 3.34Å; D87-Q100 PolarHBondContact N-O 3.07Å; N88-Q100 HydrophobicContact CB-CB 4.04Å; N88-Q100 PolarHBondContact N-O 3.45Å; N88-Q100 PolarHBondContact O-N 3.25Å; Q100-N102 PolarHBondContact NE2-OD1 3.37Å; Q100-K155 HydrophobicContact CB-CG 4.22Å; Q100-K155 HydrophobicContact CG-CG 4.1Å
101D97.5Very high94.3Very high0 Ų049.5 Ų49.50%026%0.255CS..EExtended strand (participates in β ladder)trans-117.2122.9167.4-166.3-33.7000108.3W78 R84 D87 K103 F104 S153 C154W78-D101 PolarHBondContact NE1-OD2 3.33Å; R84-D101 IonicContact CZ-OD1 3.56Å; R84-D101 IonicContact NE-OD1 3.04Å; R84-D101 PolarHBondContact NE-OD1 3Å; R84-D101 IonicContact NE-OD2 3.72Å; R84-D101 IonicContact NH2-OD1 3.27Å; R84-D101 PolarHBondContact NH2-OD1 3.31Å; D87-D101 WeakPolarHBondContact OD2-CA 3.48Å; D101-K103 VanDerWaalsContact OD1-C 3.25Å; D101-K103 PolarHBondContact OD1-N 3.44Å; D101-F104 HydrophobicContact CB-CB 4.23Å; D101-F104 HydrophobicContact CB-CD2 4.23Å; D101-F104 PolarHBondContact OD1-N 2.91Å; D101-S153 CarbonylContact O-C 3.57Å; D101-S153 VanDerWaalsContact O-CA 3.27Å; D101-S153 WeakPolarHBondContact O-CA 3.43Å; D101-S153 PolarHBondContact O-OG 3.08Å; D101-C154 PolarHBondContact N-O 3.37Å; D101-C154 PolarHBondContact O-N 3.11Å
102N96.6Very high93.9Very high64 Ų6450.5 Ų50.534%0.34227%0.274SS..SBendtrans-80.8-20.2-175.9-67.6-38.2000112.7D87 Q100D87-N102 VanDerWaalsContact CB-ND2 3.32Å; D87-N102 WeakPolarHBondContact CB-ND2 3.37Å; D87-N102 PolarHBondContact OD1-ND2 3.26Å; D87-N102 VanDerWaalsContact OD1-ND2 3.1Å; D87-N102 PolarHBondContact OD2-N 2.98Å; Q100-N102 PolarHBondContact NE2-OD1 3.37Å
103K94.8Very high93.6Very high128 Ų12848 Ų4856%0.55727%0.266SS*.SBendtrans-143.463.5-179.8-57.4177.7175.2-178.70110.1R84 D101 S105 P152R84-K103 VanDerWaalsContact CD-O 3.23Å; R84-K103 WeakPolarHBondContact CD-O 3.4Å; R84-K103 PolarHBondContact NE-O 3Å; D101-K103 VanDerWaalsContact OD1-C 3.25Å; D101-K103 PolarHBondContact OD1-N 3.44Å; K103-S105 PolarHBondContact O-N 3.44Å; K103-P152 HydrophobicContact CB-CG 4.37Å; K103-P152 HydrophobicContact CG-CG 4.44Å
104F94.9Very high93.6Very high0 Ų047.5 Ų47.50%026%0.261CS..  trans-64.3123.9-176.3-171.6-119.4000110.7W78 F82 D101 L106 L107 T108 L124 S127 P152 C154 F156W78-F104 HydrophobicContact CH2-CE2 4.38Å; W78-F104 AromaticContact CZ2-CD2 3.99Å; W78-F104 HydrophobicContact CZ2-CD2 3.99Å; W78-F104 AromaticContact CZ2-CE2 3.59Å; W78-F104 HydrophobicContact CZ2-CE2 3.59Å; F82-F104 HydrophobicContact CB-CE2 4.35Å; F82-F104 AromaticContact CD1-CE2 3.68Å; F82-F104 HydrophobicContact CD1-CE2 3.68Å; F82-F104 AromaticContact CD1-CZ 3.82Å; F82-F104 HydrophobicContact CD1-CZ 3.82Å; F82-F104 HydrophobicContact CD2-CE2 4.12Å; F82-F104 AromaticContact CE1-CE2 3.92Å; F82-F104 HydrophobicContact CE1-CE2 3.92Å; F82-F104 AromaticContact CE1-CZ 3.66Å; F82-F104 HydrophobicContact CE1-CZ 3.66Å; F82-F104 HydrophobicContact CE2-CE2 4.32Å; F82-F104 AromaticContact CG-CE2 3.79Å; F82-F104 HydrophobicContact CG-CE2 3.79Å; F82-F104 HydrophobicContact CG-CZ 4.37Å; F82-F104 HydrophobicContact CZ-CE2 4.23Å; F82-F104 HydrophobicContact CZ-CZ 4.08Å; D101-F104 HydrophobicContact CB-CB 4.23Å; D101-F104 HydrophobicContact CB-CD2 4.23Å; D101-F104 PolarHBondContact OD1-N 2.91Å; F104-L106 VanDerWaalsContact C-N 3.3Å; F104-L106 HydrophobicContact CD1-CB 4.17Å; F104-L106 HydrophobicContact CE1-CB 3.77Å; F104-L106 HydrophobicContact CE1-CD1 4.02Å; F104-L106 HydrophobicContact CE1-CG 4.08Å; F104-L106 HydrophobicContact CZ-CB 4.48Å; F104-L106 HydrophobicContact CZ-CD1 4.1Å; F104-L106 HydrophobicContact CZ-CG 4.31Å; F104-L106 PolarHBondContact O-N 2.9Å; F104-L107 HydrophobicContact CD1-CD1 4.23Å; F104-L107 HydrophobicContact CD1-CG 4.04Å; F104-L107 PolarHBondContact O-N 3.15Å; F104-T108 PolarHBondContact O-N 2.93Å; F104-L124 HydrophobicContact CD1-CD2 3.63Å; F104-L124 HydrophobicContact CE1-CD2 3.49Å; F104-L124 VanDerWaalsContact CE1-CD2 3.49Å; F104-S127 WeakPolarHBondContact CZ-OG 3.34Å; F104-P152 PolarHBondContact N-O 3.29Å; F104-P152 VanDerWaalsContact N-O 3.14Å; F104-C154 WeakPolarHBondContact CB-SG 3.2Å; F104-C154 VanDerWaalsContact CG-SG 3.5Å; F104-F156 HydrophobicContact CD2-CE2 4.3Å; F104-F156 HydrophobicContact CE1-CE2 4.49Å; F104-F156 HydrophobicContact CE1-CZ 4.02Å; F104-F156 HydrophobicContact CE2-CE2 4.09Å; F104-F156 HydrophobicContact CE2-CZ 4.14Å; F104-F156 HydrophobicContact CZ-CE2 4.19Å; F104-F156 AromaticContact CZ-CZ 3.79Å; F104-F156 HydrophobicContact CZ-CZ 3.79Å
105S92.1Very high93.6Very high20 Ų2047.8 Ų47.814%0.1426%0.262CS..G310 helixtrans-57.3-38.7-167.851.40000113.5K103 L107 T108K103-S105 PolarHBondContact O-N 3.44Å; S105-L107 PolarHBondContact O-N 2.98Å; S105-L107 VanDerWaalsContact O-N 3.12Å; S105-T108 PolarHBondContact O-N 3.3Å; S105-T108 PolarHBondContact O-OG1 3.36Å
106L92.8Very high93.5Very high9 Ų951.3 Ų51.35%0.04728%0.275CS..G310 helixtrans-71.5-7.9179.6-57.3-179.6000113.8F7 E8 H11 F82 F104 S127F7-L106 HydrophobicContact CD1-CD2 4.33Å; F7-L106 HydrophobicContact CE1-CD1 4.38Å; F7-L106 HydrophobicContact CE1-CD2 3.91Å; E8-L106 HydrophobicContact CG-CD2 4.36Å; H11-L106 HydrophobicContact CB-CD2 4.38Å; F82-L106 HydrophobicContact CE1-CD1 4.2Å; F104-L106 VanDerWaalsContact C-N 3.3Å; F104-L106 HydrophobicContact CD1-CB 4.17Å; F104-L106 HydrophobicContact CE1-CB 3.77Å; F104-L106 HydrophobicContact CE1-CD1 4.02Å; F104-L106 HydrophobicContact CE1-CG 4.08Å; F104-L106 HydrophobicContact CZ-CB 4.48Å; F104-L106 HydrophobicContact CZ-CD1 4.1Å; F104-L106 HydrophobicContact CZ-CG 4.31Å; F104-L106 PolarHBondContact O-N 2.9Å; L106-S127 WeakPolarHBondContact CD1-OG 3.39Å
107L93.9Very high93.3Very high0 Ų052 Ų520%028%0.277CS..G310 helixtrans-110.2-6.4176.4-64.7179000113.4F104 S105 Q109 F110 L124 V148 M151 P152 C154F104-L107 HydrophobicContact CD1-CD1 4.23Å; F104-L107 HydrophobicContact CD1-CG 4.04Å; F104-L107 PolarHBondContact O-N 3.15Å; S105-L107 PolarHBondContact O-N 2.98Å; S105-L107 VanDerWaalsContact O-N 3.12Å; L107-Q109 PolarHBondContact O-N 2.79Å; L107-F110 HydrophobicContact CD2-CD2 4.13Å; L107-F110 HydrophobicContact CD2-CE2 4.15Å; L107-F110 WeakPolarHBondContact O-CD2 3.25Å; L107-F110 PolarHBondContact O-N 2.97Å; L107-F110 VanDerWaalsContact O-N 3.16Å; L107-L124 HydrophobicContact CD1-CD1 4.48Å; L107-L124 HydrophobicContact CD1-CD2 3.94Å; L107-L124 HydrophobicContact CD1-CG 4.48Å; L107-L124 HydrophobicContact CD2-CD2 4.5Å; L107-L124 HydrophobicContact CG-CD2 4.22Å; L107-V148 HydrophobicContact CD1-CG2 3.8Å; L107-M151 HydrophobicContact CB-SD 4.12Å; L107-M151 HydrophobicContact CD1-SD 3.89Å; L107-M151 HydrophobicContact CD2-CE 4.09Å; L107-M151 HydrophobicContact CD2-SD 4.06Å; L107-M151 HydrophobicContact CG-SD 4.24Å; L107-P152 HydrophobicContact CB-CB 4.06Å; L107-C154 HydrophobicContact CD1-CB 4.16Å
108T90.5Very high92.9Very high67 Ų6758.7 Ų58.741%0.41131%0.314SS..THydrogen-bonded Turntrans-70.7-16-176.552.30000113.8F104 S105 F110 P152F104-T108 PolarHBondContact O-N 2.93Å; S105-T108 PolarHBondContact O-N 3.3Å; S105-T108 PolarHBondContact O-OG1 3.36Å; T108-F110 VanDerWaalsContact C-N 3.25Å; T108-F110 PolarHBondContact O-N 2.66Å; T108-P152 HydrophobicContact CG2-CB 4.27Å; T108-P152 HydrophobicContact CG2-CG 4.44Å
109Q86.9Confident92.6Very high114 Ų11460.8 Ų60.853%0.53332%0.321SS..THydrogen-bonded Turntrans-75-14.5174.7-56.1-58.7-27.900112.8E8 M12 L107E8-Q109 PolarHBondContact OE2-NE2 2.87Å; E8-Q109 VanDerWaalsContact OE2-NE2 3.1Å; M12-Q109 HydrophobicContact CE-CG 4.08Å; M12-Q109 HydrophobicContact SD-CB 4.44Å; M12-Q109 HydrophobicContact SD-CG 4.31Å; L107-Q109 PolarHBondContact O-N 2.79Å
110F88.6Confident92.3Very high38 Ų3860.8 Ų60.817%0.16732%0.321CS..SBendtrans-84.8148.3174.9-64.4-86.5000111L107 T108 G112 Y116 Y123L107-F110 HydrophobicContact CD2-CD2 4.13Å; L107-F110 HydrophobicContact CD2-CE2 4.15Å; L107-F110 WeakPolarHBondContact O-CD2 3.25Å; L107-F110 PolarHBondContact O-N 2.97Å; L107-F110 VanDerWaalsContact O-N 3.16Å; T108-F110 VanDerWaalsContact C-N 3.25Å; T108-F110 PolarHBondContact O-N 2.66Å; F110-G112 PolarHBondContact O-N 2.93Å; F110-Y116 HydrophobicContact CB-CD2 4.11Å; F110-Y116 HydrophobicContact CD1-CD1 4.06Å; F110-Y116 AromaticContact CD1-CD2 3.91Å; F110-Y116 HydrophobicContact CD1-CD2 3.91Å; F110-Y116 HydrophobicContact CD1-CE2 4.47Å; F110-Y116 AromaticContact CD1-CG 3.68Å; F110-Y116 HydrophobicContact CD1-CG 3.68Å; F110-Y116 HydrophobicContact CE1-CD1 4.47Å; F110-Y116 HydrophobicContact CE1-CG 4.44Å; F110-Y116 HydrophobicContact CG-CD2 4.48Å; F110-Y123 HydrophobicContact CE1-CD2 4.49Å; F110-Y123 AromaticContact CE1-CE2 3.95Å; F110-Y123 HydrophobicContact CE1-CE2 3.95Å; F110-Y123 HydrophobicContact CE2-CD1 4.49Å; F110-Y123 AromaticContact CE2-CD2 4Å; F110-Y123 HydrophobicContact CE2-CD2 4Å; F110-Y123 HydrophobicContact CE2-CE2 4.11Å; F110-Y123 HydrophobicContact CE2-CG 4.22Å; F110-Y123 HydrophobicContact CZ-CD1 4.36Å; F110-Y123 AromaticContact CZ-CD2 3.59Å; F110-Y123 HydrophobicContact CZ-CD2 3.59Å; F110-Y123 HydrophobicContact CZ-CE1 4.08Å; F110-Y123 AromaticContact CZ-CE2 3.25Å; F110-Y123 HydrophobicContact CZ-CE2 3.25Å; F110-Y123 HydrophobicContact CZ-CG 4.15Å; F110-Y123 AromaticContact CZ-CZ 3.55Å
111S88.8Confident92Very high58 Ų5862 Ų6241%0.40633%0.332SS..PPolyproline II helixtrans-63.2141.3170.773.30000110.3Y116S111-Y116 VanDerWaalsContact OG-CE2 3.29Å; S111-Y116 WeakPolarHBondContact OG-CE2 3.44Å
112G88.8Confident91.9Very high62 Ų6263.8 Ų63.864%0.63934%0.34SS*.SBendtrans-58.5145.2175.600000112.2F110F110-G112 PolarHBondContact O-N 2.93Å
113G89.9Confident91.9Very high22 Ų2262.1 Ų62.123%0.22733%0.329CS..BIsolated β-bridgetrans120.1-151177.900000113.8M151G113-M151 PolarHBondContact O-N 3.17Å
114K93.2Very high92Very high151 Ų15156.2 Ų56.266%0.65730%0.303SS*.SBendtrans-111.5-2.4-170.8-60.5-171.8178.7-179.90114.9Y116 L117K114-Y116 PolarHBondContact O-N 2.84Å; K114-L117 HydrophobicContact CB-CD1 3.78Å; K114-L117 HydrophobicContact CB-CG 4.15Å; K114-L117 HydrophobicContact CD-CD1 4.32Å; K114-L117 HydrophobicContact CG-CD1 3.92Å; K114-L117 WeakPolarHBondContact O-CG 3.44Å; K114-L117 PolarHBondContact O-N 3.06Å
115Q92Very high92.2Very high147 Ų14756.5 Ų56.569%0.68731%0.306SS*.THydrogen-bonded Turntrans-61.8-27.7-173.3-178.3174.8-17.900113.7
116Y92Very high92.5Very high78 Ų7856.1 Ų56.131%0.30630%0.301SS..THydrogen-bonded Turntrans-11215.5-174.5-60-71.5000113.9F110 S111 K114 D118 Q119 A120 M151F110-Y116 HydrophobicContact CB-CD2 4.11Å; F110-Y116 HydrophobicContact CD1-CD1 4.06Å; F110-Y116 AromaticContact CD1-CD2 3.91Å; F110-Y116 HydrophobicContact CD1-CD2 3.91Å; F110-Y116 HydrophobicContact CD1-CE2 4.47Å; F110-Y116 AromaticContact CD1-CG 3.68Å; F110-Y116 HydrophobicContact CD1-CG 3.68Å; F110-Y116 HydrophobicContact CE1-CD1 4.47Å; F110-Y116 HydrophobicContact CE1-CG 4.44Å; F110-Y116 HydrophobicContact CG-CD2 4.48Å; S111-Y116 VanDerWaalsContact OG-CE2 3.29Å; S111-Y116 WeakPolarHBondContact OG-CE2 3.44Å; K114-Y116 PolarHBondContact O-N 2.84Å; Y116-D118 VanDerWaalsContact C-N 3.3Å; Y116-D118 PolarHBondContact O-N 3.18Å; Y116-Q119 PolarHBondContact O-N 3.24Å; Y116-A120 PolarHBondContact O-N 3.11Å; Y116-A120 VanDerWaalsContact O-N 3.13Å; Y116-M151 WeakPolarHBondContact O-CE 3.44Å
117L92.4Very high92.8Very high44 Ų4455.7 Ų55.723%0.2330%0.299CS..G310 helixtrans-60.6-39.3-177.6-66.3-176.3000112.6K114 Q119 A120 P121 V148K114-L117 HydrophobicContact CB-CD1 3.78Å; K114-L117 HydrophobicContact CB-CG 4.15Å; K114-L117 HydrophobicContact CD-CD1 4.32Å; K114-L117 HydrophobicContact CG-CD1 3.92Å; K114-L117 WeakPolarHBondContact O-CG 3.44Å; K114-L117 PolarHBondContact O-N 3.06Å; L117-Q119 PolarHBondContact O-N 2.81Å; L117-A120 VanDerWaalsContact O-CB 3.28Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 3Å; L117-P121 WeakPolarHBondContact O-CD 3.23Å; L117-V148 HydrophobicContact CD2-CB 3.99Å; L117-V148 HydrophobicContact CD2-CG1 3.45Å; L117-V148 VanDerWaalsContact CD2-CG1 3.45Å; L117-V148 WeakPolarHBondContact CD2-O 3.27Å
118D90.9Very high93Very high152 Ų15256.1 Ų56.181%0.81330%0.302SS*.G310 helixtrans-65-22.8178.2-60.6-27.2000112.8Y116Y116-D118 VanDerWaalsContact C-N 3.3Å; Y116-D118 PolarHBondContact O-N 3.18Å
119Q90.8Very high93.4Very high83 Ų8352.9 Ų52.939%0.38828%0.282SS..G310 helixtrans-92.4-13.8177.6-57.9-63-29.400112.1Y116 L117 P121 K122 Y123Y116-Q119 PolarHBondContact O-N 3.24Å; L117-Q119 PolarHBondContact O-N 2.81Å; Q119-P121 VanDerWaalsContact C-CD 3.47Å; Q119-K122 WeakPolarHBondContact O-CG 3.44Å; Q119-Y123 HydrophobicContact CB-CE2 4.41Å; Q119-Y123 VanDerWaalsContact O-CD2 3.22Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.38Å
120A92.9Very high93.9Very high2 Ų247.5 Ų47.52%0.01726%0.257CS..Hα-helixtrans-58.9-42.6-176.400000114Y116 L117 K122 Y123 L124 V148 M151Y116-A120 PolarHBondContact O-N 3.11Å; Y116-A120 VanDerWaalsContact O-N 3.13Å; L117-A120 VanDerWaalsContact O-CB 3.28Å; L117-A120 WeakPolarHBondContact O-CB 3.37Å; L117-A120 PolarHBondContact O-N 3Å; A120-K122 VanDerWaalsContact C-N 3.29Å; A120-K122 PolarHBondContact O-N 2.9Å; A120-Y123 PolarHBondContact O-N 3.38Å; A120-L124 PolarHBondContact O-N 3.28Å; A120-V148 HydrophobicContact CB-CB 3.88Å; A120-V148 HydrophobicContact CB-CG2 3.58Å; A120-M151 HydrophobicContact CB-CE 3.52Å
121P92.7Very high94.4Very high62 Ų6245.7 Ų45.740%0.40325%0.249SC..Hα-helixtrans-57.5-37.9-174.6-28.136.7000114I38 L117 Q119 Y123 L124 A125I38-P121 HydrophobicContact CD1-CB 4.47Å; L117-P121 WeakPolarHBondContact O-CD 3.23Å; Q119-P121 VanDerWaalsContact C-CD 3.47Å; P121-Y123 VanDerWaalsContact C-N 3.33Å; P121-Y123 PolarHBondContact O-N 2.87Å; P121-L124 PolarHBondContact O-N 3.24Å; P121-A125 PolarHBondContact O-N 3.07Å
122K94.8Very high94.9Very high38 Ų3845.5 Ų45.517%0.16524%0.24CC..Hα-helixtrans-67.4-30.7179.658.6173.7-163.3-1700113.2V15 F19 L41 Q119 A120V15-K122 HydrophobicContact CG1-CB 4.07Å; V15-K122 HydrophobicContact CG1-CD 3.85Å; V15-K122 HydrophobicContact CG1-CG 3.98Å; F19-K122 HydrophobicContact CD2-CB 4.41Å; F19-K122 HydrophobicContact CD2-CD 4.35Å; F19-K122 HydrophobicContact CE1-CB 4.39Å; F19-K122 HydrophobicContact CE1-CD 4.42Å; F19-K122 HydrophobicContact CE2-CB 3.5Å; F19-K122 VanDerWaalsContact CE2-CB 3.5Å; F19-K122 HydrophobicContact CE2-CD 4.17Å; F19-K122 HydrophobicContact CE2-CG 4.43Å; F19-K122 HydrophobicContact CZ-CB 3.49Å; F19-K122 VanDerWaalsContact CZ-CB 3.49Å; F19-K122 HydrophobicContact CZ-CD 4.21Å; F19-K122 HydrophobicContact CZ-CG 4.42Å; L41-K122 WeakPolarHBondContact CD1-O 3.24Å; Q119-K122 WeakPolarHBondContact O-CG 3.44Å; A120-K122 VanDerWaalsContact C-N 3.29Å; A120-K122 PolarHBondContact O-N 2.9Å
123Y96.4Very high95.4Very high30 Ų3042.6 Ų42.612%0.11821%0.209CC..Hα-helixtrans-84.2-13.5177.1-64.9-76.8000113.3H11 V15 F110 Q119 A120 P121H11-Y123 AromaticContact CE1-CD1 3.96Å; H11-Y123 PolarHBondContact CE1-O 3.04Å; H11-Y123 VanDerWaalsContact CE1-O 3.23Å; H11-Y123 PolarHBondContact NE2-O 2.96Å; V15-Y123 HydrophobicContact CB-CD1 4.23Å; V15-Y123 HydrophobicContact CB-CE1 4.03Å; V15-Y123 HydrophobicContact CG1-CD1 3.99Å; V15-Y123 HydrophobicContact CG1-CE1 3.73Å; V15-Y123 HydrophobicContact CG2-CD1 4.11Å; V15-Y123 HydrophobicContact CG2-CE1 4.41Å; F110-Y123 HydrophobicContact CE1-CD2 4.49Å; F110-Y123 AromaticContact CE1-CE2 3.95Å; F110-Y123 HydrophobicContact CE1-CE2 3.95Å; F110-Y123 HydrophobicContact CE2-CD1 4.49Å; F110-Y123 AromaticContact CE2-CD2 4Å; F110-Y123 HydrophobicContact CE2-CD2 4Å; F110-Y123 HydrophobicContact CE2-CE2 4.11Å; F110-Y123 HydrophobicContact CE2-CG 4.22Å; F110-Y123 HydrophobicContact CZ-CD1 4.36Å; F110-Y123 AromaticContact CZ-CD2 3.59Å; F110-Y123 HydrophobicContact CZ-CD2 3.59Å; F110-Y123 HydrophobicContact CZ-CE1 4.08Å; F110-Y123 AromaticContact CZ-CE2 3.25Å; F110-Y123 HydrophobicContact CZ-CE2 3.25Å; F110-Y123 HydrophobicContact CZ-CG 4.15Å; F110-Y123 AromaticContact CZ-CZ 3.55Å; Q119-Y123 HydrophobicContact CB-CE2 4.41Å; Q119-Y123 VanDerWaalsContact O-CD2 3.22Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.38Å; A120-Y123 PolarHBondContact O-N 3.38Å; P121-Y123 VanDerWaalsContact C-N 3.33Å; P121-Y123 PolarHBondContact O-N 2.87Å
124L97.6Very high95.8Very high3 Ų341.5 Ų41.52%0.01620%0.199CC..Hα-helixtrans-98.4-21.7177.3-63.3-176.6000113.2F104 L107 A120 P121 F126 S127 C128 A146 V148 C154 F156F104-L124 HydrophobicContact CD1-CD2 3.63Å; F104-L124 HydrophobicContact CE1-CD2 3.49Å; F104-L124 VanDerWaalsContact CE1-CD2 3.49Å; L107-L124 HydrophobicContact CD1-CD1 4.48Å; L107-L124 HydrophobicContact CD1-CD2 3.94Å; L107-L124 HydrophobicContact CD1-CG 4.48Å; L107-L124 HydrophobicContact CD2-CD2 4.5Å; L107-L124 HydrophobicContact CG-CD2 4.22Å; A120-L124 PolarHBondContact O-N 3.28Å; P121-L124 PolarHBondContact O-N 3.24Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 2.91Å; L124-S127 WeakPolarHBondContact O-CA 3.29Å; L124-S127 WeakPolarHBondContact O-CB 3.46Å; L124-S127 PolarHBondContact O-N 3.42Å; L124-C128 PolarHBondContact O-N 3.19Å; L124-C128 PolarHBondContact O-SG 3.41Å; L124-A146 HydrophobicContact CB-CB 3.94Å; L124-A146 HydrophobicContact CD1-CB 3.74Å; L124-A146 HydrophobicContact CG-CB 4.44Å; L124-V148 HydrophobicContact CD1-CG2 3.52Å; L124-C154 HydrophobicContact CD1-CB 3.99Å; L124-C154 HydrophobicContact CD2-CB 4.47Å; L124-F156 HydrophobicContact CD2-CZ 3.98Å
125A98.3Very high96Very high6 Ų634.3 Ų34.35%0.0517%0.167CC..Hα-helixtrans-51.3-48.4-178.100000113.2I38 L41 E42 P121 S127 C128 G129I38-A125 HydrophobicContact CB-CB 4.5Å; I38-A125 HydrophobicContact CG2-CB 3.88Å; L41-A125 HydrophobicContact CB-CB 3.81Å; L41-A125 HydrophobicContact CD1-CB 4.38Å; E42-A125 WeakPolarHBondContact CA-O 3.33Å; P121-A125 PolarHBondContact O-N 3.07Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 2.89Å; A125-C128 WeakPolarHBondContact O-CB 3.33Å; A125-C128 PolarHBondContact O-N 3.28Å; A125-G129 PolarHBondContact O-N 3.3Å; A125-G129 VanDerWaalsContact O-N 3.08Å
126F98.6Very high96.3Very high12 Ų1228.4 Ų28.45%0.05314%0.142CC..Hα-helixtrans-58.3-44.8175.9179.3-91.8000111.7F7 L41 M44 G45 V48 L124 G129 V130F7-F126 HydrophobicContact CE2-CE1 4.05Å; F7-F126 HydrophobicContact CE2-CZ 4.29Å; F7-F126 HydrophobicContact CZ-CD1 4.25Å; F7-F126 AromaticContact CZ-CE1 3.63Å; F7-F126 HydrophobicContact CZ-CE1 3.63Å; F7-F126 HydrophobicContact CZ-CZ 4.32Å; L41-F126 WeakPolarHBondContact O-CA 3.45Å; M44-F126 HydrophobicContact CB-CD2 4.25Å; M44-F126 HydrophobicContact CB-CE2 4.29Å; G45-F126 WeakPolarHBondContact CA-O 3.45Å; V48-F126 HydrophobicContact CB-CZ 4.1Å; V48-F126 HydrophobicContact CG1-CZ 4.11Å; V48-F126 HydrophobicContact CG2-CE2 4.2Å; V48-F126 HydrophobicContact CG2-CZ 4.01Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 2.91Å; F126-G129 WeakPolarHBondContact O-CA 3.33Å; F126-G129 PolarHBondContact O-N 2.99Å; F126-G129 VanDerWaalsContact O-N 3.16Å; F126-V130 HydrophobicContact CD1-CG2 3.87Å; F126-V130 HydrophobicContact CE1-CG2 3.42Å; F126-V130 VanDerWaalsContact CE1-CG2 3.42Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.24Å; F126-V130 PolarHBondContact O-N 3.38Å
127S98.3Very high96.5Very high0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-68.2-36.4-179.2-60.50000112.5F104 L106 L124 A125 G129 V130 V131F104-S127 WeakPolarHBondContact CZ-OG 3.34Å; L106-S127 WeakPolarHBondContact CD1-OG 3.39Å; L124-S127 WeakPolarHBondContact O-CA 3.29Å; L124-S127 WeakPolarHBondContact O-CB 3.46Å; L124-S127 PolarHBondContact O-N 3.42Å; A125-S127 VanDerWaalsContact C-N 3.32Å; A125-S127 PolarHBondContact O-N 2.89Å; S127-G129 VanDerWaalsContact C-N 3.28Å; S127-G129 PolarHBondContact O-N 3.47Å; S127-V130 PolarHBondContact O-N 3.15Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.29Å; S127-V131 VanDerWaalsContact O-N 3.09Å
128C98.6Very high96.7Very high9 Ų927.3 Ų27.36%0.06114%0.142CC..Hα-helixtrans-56.8-46.1170-65.90000110.9L124 A125 V131 R132 V144 A146L124-C128 PolarHBondContact O-N 3.19Å; L124-C128 PolarHBondContact O-SG 3.41Å; A125-C128 WeakPolarHBondContact O-CB 3.33Å; A125-C128 PolarHBondContact O-N 3.28Å; C128-V131 PolarHBondContact O-N 3.48Å; C128-R132 WeakPolarHBondContact O-CB 3.42Å; C128-R132 PolarHBondContact O-N 3.22Å; C128-V144 HydrophobicContact CB-CB 4.26Å; C128-V144 HydrophobicContact CB-CG1 4Å; C128-A146 VanDerWaalsContact SG-CB 3.51Å
129G98.8Very high96.9Very high0 Ų023.1 Ų23.10%013%0.134CC..Hα-helixtrans-58.7-48.4175.100000112.6E42 G45 F46 A125 F126 S127 V131 R132 G133E42-G129 VanDerWaalsContact O-CA 3.29Å; E42-G129 WeakPolarHBondContact O-CA 3.26Å; E42-G129 VanDerWaalsContact OE1-CA 3.24Å; E42-G129 WeakPolarHBondContact OE1-CA 3.39Å; G45-G129 CarbonylContact O-C 3.6Å; F46-G129 WeakPolarHBondContact CA-O 3.37Å; F46-G129 VanDerWaalsContact N-C 3.28Å; F46-G129 PolarHBondContact N-O 3.15Å; A125-G129 PolarHBondContact O-N 3.3Å; A125-G129 VanDerWaalsContact O-N 3.08Å; F126-G129 WeakPolarHBondContact O-CA 3.33Å; F126-G129 PolarHBondContact O-N 2.99Å; F126-G129 VanDerWaalsContact O-N 3.16Å; S127-G129 VanDerWaalsContact C-N 3.28Å; S127-G129 PolarHBondContact O-N 3.47Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.3Å; G129-R132 PolarHBondContact O-N 3.23Å; G129-R132 VanDerWaalsContact O-N 3.15Å; G129-G133 PolarHBondContact O-N 3.44Å
130V98.7Very high97.2Very high0 Ų020.4 Ų20.40%012%0.122CC..Hα-helixtrans-55.6-44.8179.1171.70000111.5G45 V48 G49 L52 F77 V81 F126 S127 A134G45-V130 VanDerWaalsContact C-N 3.3Å; G45-V130 VanDerWaalsContact O-CA 3.23Å; G45-V130 WeakPolarHBondContact O-CA 3.44Å; G45-V130 WeakPolarHBondContact O-CG2 3.45Å; G45-V130 PolarHBondContact O-N 3.44Å; V48-V130 HydrophobicContact CB-CG2 4.39Å; V48-V130 HydrophobicContact CG1-CG2 4.27Å; G49-V130 VanDerWaalsContact CA-O 3.27Å; G49-V130 WeakPolarHBondContact CA-O 3.46Å; L52-V130 HydrophobicContact CD1-CG1 4.41Å; F77-V130 HydrophobicContact CE1-CG1 3.78Å; F77-V130 HydrophobicContact CZ-CG1 3.62Å; V81-V130 HydrophobicContact CG1-CG1 4.21Å; F126-V130 HydrophobicContact CD1-CG2 3.87Å; F126-V130 HydrophobicContact CE1-CG2 3.42Å; F126-V130 VanDerWaalsContact CE1-CG2 3.42Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.24Å; F126-V130 PolarHBondContact O-N 3.38Å; S127-V130 PolarHBondContact O-N 3.15Å; V130-A134 WeakPolarHBondContact O-CB 3.5Å; V130-A134 PolarHBondContact O-N 3.14Å
131V98.6Very high97.4Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-66.7-46.7177.1178.90000111.1I73 W78 S127 C128 G129 G133 A134 L135 V144 V158I73-V131 HydrophobicContact CG2-CG1 4.38Å; W78-V131 HydrophobicContact CE3-CG2 4.45Å; W78-V131 HydrophobicContact CH2-CG2 4.24Å; W78-V131 HydrophobicContact CZ3-CG2 3.53Å; S127-V131 WeakPolarHBondContact O-CG2 3.33Å; S127-V131 PolarHBondContact O-N 3.29Å; S127-V131 VanDerWaalsContact O-N 3.09Å; C128-V131 PolarHBondContact O-N 3.48Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.3Å; V131-G133 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.18Å; V131-A134 PolarHBondContact O-N 3.36Å; V131-L135 HydrophobicContact CG1-CD1 3.93Å; V131-L135 HydrophobicContact CG1-CG 4.47Å; V131-L135 WeakPolarHBondContact O-CG 3.42Å; V131-L135 PolarHBondContact O-N 3.03Å; V131-V144 HydrophobicContact CB-CG1 4.29Å; V131-V144 HydrophobicContact CB-CG2 4.39Å; V131-V144 HydrophobicContact CG1-CG1 4.39Å; V131-V144 HydrophobicContact CG1-CG2 4.13Å; V131-V158 HydrophobicContact CG1-CG2 4.11Å
132R98.8Very high97.6Very high55 Ų5521.5 Ų21.521%0.20812%0.122CC..Hα-helixtrans-61.7-42.5-180-169176.164.485.5-0.8112.1E42 F46 C128 G129 L135 S136 S142 V144E42-R132 VanDerWaalsContact CD-NH2 3.33Å; E42-R132 IonicContact OE1-CZ 2.97Å; E42-R132 VanDerWaalsContact OE1-CZ 3.24Å; E42-R132 IonicContact OE1-NE 2.88Å; E42-R132 PolarHBondContact OE1-NE 3.45Å; E42-R132 IonicContact OE1-NH2 2.66Å; E42-R132 PolarHBondContact OE1-NH2 2.93Å; E42-R132 IonicContact OE2-CZ 2.87Å; E42-R132 IonicContact OE2-NE 3.24Å; E42-R132 IonicContact OE2-NH2 3.85Å; E42-R132 PolarHBondContact OE2-NH2 3.41Å; F46-R132 HydrophobicContact CD2-CB 4.17Å; F46-R132 HydrophobicContact CD2-CG 4.11Å; F46-R132 VanDerWaalsContact CD2-NH1 3.28Å; F46-R132 HydrophobicContact CE2-CG 4.18Å; C128-R132 WeakPolarHBondContact O-CB 3.42Å; C128-R132 PolarHBondContact O-N 3.22Å; G129-R132 PolarHBondContact O-N 3.23Å; G129-R132 VanDerWaalsContact O-N 3.15Å; R132-L135 PolarHBondContact O-N 2.9Å; R132-S136 WeakPolarHBondContact O-CB 3.31Å; R132-S136 PolarHBondContact O-N 2.81Å; R132-S142 WeakPolarHBondContact CD-O 3.4Å; R132-S142 WeakPolarHBondContact CG-O 3.5Å; R132-V144 HydrophobicContact CB-CB 4.33Å; R132-V144 HydrophobicContact CB-CG2 3.74Å; R132-V144 HydrophobicContact CG-CG2 4.31Å
133G98.6Very high97.8Very high0 Ų022.8 Ų22.80%013%0.133CC..Hα-helixtrans-65-41.1177.500000112.6F46 Q50 G129 V131 N137F46-G133 VanDerWaalsContact CD2-N 3.33Å; F46-G133 VanDerWaalsContact CE2-CA 3.46Å; F46-G133 WeakPolarHBondContact O-CA 3.4Å; Q50-G133 WeakPolarHBondContact CG-O 3.36Å; G129-G133 PolarHBondContact O-N 3.44Å; V131-G133 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.18Å; G133-N137 PolarHBondContact O-N 3.32Å
134A98.5Very high97.9Very high0 Ų022 Ų220%013%0.131CC..Hα-helixtrans-61.7-46174.200000111.6I53 I73 F77 V130 V131 N137 L138I53-A134 HydrophobicContact CB-CB 3.95Å; I53-A134 HydrophobicContact CD1-CB 4.2Å; I53-A134 HydrophobicContact CG1-CB 4.18Å; I53-A134 HydrophobicContact CG2-CB 4.39Å; I73-A134 HydrophobicContact CD1-CB 3.91Å; F77-A134 HydrophobicContact CD2-CB 4.43Å; F77-A134 HydrophobicContact CE1-CB 4Å; F77-A134 HydrophobicContact CE2-CB 3.79Å; F77-A134 HydrophobicContact CZ-CB 3.54Å; V130-A134 WeakPolarHBondContact O-CB 3.5Å; V130-A134 PolarHBondContact O-N 3.14Å; V131-A134 PolarHBondContact O-N 3.36Å; A134-N137 PolarHBondContact O-N 3.26Å; A134-L138 WeakPolarHBondContact O-CG 3.44Å; A134-L138 PolarHBondContact O-N 3.43Å
135L98.2Very high97.9Very high0 Ų025.2 Ų25.20%015%0.151CC..Hα-helixtrans-64.8-44.4178.7-70.5171.1000112.6I69 M70 I73 V131 R132 N137 L138 G139 L140 S142 V158I69-L135 HydrophobicContact CG2-CD2 3.88Å; M70-L135 HydrophobicContact SD-CD1 4.46Å; M70-L135 HydrophobicContact SD-CD2 3.78Å; I73-L135 HydrophobicContact CD1-CD2 4.41Å; I73-L135 HydrophobicContact CG1-CD2 3.91Å; V131-L135 HydrophobicContact CG1-CD1 3.93Å; V131-L135 HydrophobicContact CG1-CG 4.47Å; V131-L135 WeakPolarHBondContact O-CG 3.42Å; V131-L135 PolarHBondContact O-N 3.03Å; R132-L135 PolarHBondContact O-N 2.9Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.32Å; L135-L138 CarbonylContact O-C 3.47Å; L135-L138 WeakPolarHBondContact O-CA 3.48Å; L135-L138 PolarHBondContact O-N 3.04Å; L135-G139 PolarHBondContact O-N 2.97Å; L135-L140 CarbonylContact C-O 3.24Å; L135-L140 VanDerWaalsContact C-O 3.24Å; L135-L140 HydrophobicContact CB-CB 4.24Å; L135-L140 HydrophobicContact CD2-CD1 4.1Å; L135-L140 PolarHBondContact O-N 2.88Å; L135-S142 WeakPolarHBondContact CD1-OG 3.44Å; L135-V158 HydrophobicContact CD1-CG1 3.46Å; L135-V158 VanDerWaalsContact CD1-CG1 3.46Å; L135-V158 HydrophobicContact CD1-CG2 4.46Å
136S98Very high97.8Very high22 Ų2226.3 Ų26.315%0.15416%0.16CC..Hα-helixtrans-58.6-40.8178.11780000111.4R132 L138 G139 L140 E141R132-S136 WeakPolarHBondContact O-CB 3.31Å; R132-S136 PolarHBondContact O-N 2.81Å; S136-L138 VanDerWaalsContact C-N 3.26Å; S136-L138 PolarHBondContact O-N 3.32Å; S136-G139 WeakPolarHBondContact O-CA 3.18Å; S136-G139 PolarHBondContact O-N 2.84Å; S136-L140 PolarHBondContact N-O 3.28Å; S136-E141 PolarHBondContact OG-OE1 3.3Å
137N96.6Very high97.7Very high63 Ų6330.9 Ų30.934%0.33718%0.182SC..Hα-helixtrans-73-18.5177.7-143.119.3000114.1Q50 I53 E54 G133 A134 L135Q50-N137 PolarHBondContact O-ND2 2.81Å; I53-N137 HydrophobicContact CG2-CB 3.48Å; I53-N137 VanDerWaalsContact CG2-CB 3.48Å; E54-N137 WeakPolarHBondContact CG-ND2 3.33Å; E54-N137 PolarHBondContact OE1-ND2 2.76Å; G133-N137 PolarHBondContact O-N 3.32Å; A134-N137 PolarHBondContact O-N 3.26Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 3.32Å
138L96.2Very high97.6Very high37 Ų3731.9 Ų31.919%0.19419%0.188CC..THydrogen-bonded Turntrans-87.36.8169.2-63.5178.2000112.5I53 T57 F63 I69 I73 A134 L135 S136I53-L138 HydrophobicContact CD1-CD1 4.08Å; I53-L138 HydrophobicContact CG1-CD1 3.92Å; I53-L138 HydrophobicContact CG1-CD2 4.02Å; I53-L138 HydrophobicContact CG1-CG 3.87Å; T57-L138 HydrophobicContact CG2-CD2 4.22Å; F63-L138 HydrophobicContact CD2-CD2 4.25Å; F63-L138 HydrophobicContact CE2-CD1 4.28Å; F63-L138 HydrophobicContact CE2-CD2 3.74Å; I69-L138 HydrophobicContact CD1-CB 4.35Å; I69-L138 HydrophobicContact CG2-CB 4.31Å; I69-L138 HydrophobicContact CG2-CD1 3.55Å; I73-L138 HydrophobicContact CD1-CD1 4.43Å; A134-L138 WeakPolarHBondContact O-CG 3.44Å; A134-L138 PolarHBondContact O-N 3.43Å; L135-L138 CarbonylContact O-C 3.47Å; L135-L138 WeakPolarHBondContact O-CA 3.48Å; L135-L138 PolarHBondContact O-N 3.04Å; S136-L138 VanDerWaalsContact C-N 3.26Å; S136-L138 PolarHBondContact O-N 3.32Å
139G95.1Very high97.4Very high64 Ų6434.8 Ų34.866%0.6621%0.208SC*.THydrogen-bonded Turntrans8414.2178.200000114.6L135 S136L135-G139 PolarHBondContact O-N 2.97Å; S136-G139 WeakPolarHBondContact O-CA 3.18Å; S136-G139 PolarHBondContact O-N 2.84Å
140L96.3Very high97.2Very high25 Ų2539.1 Ų39.113%0.13123%0.23CC..  trans-108.699.5177.8-62.5-177000111.1E66 I69 L135 S136 S142 I160E66-L140 HydrophobicContact CG-CD1 4.04Å; E66-L140 HydrophobicContact CG-CD2 4.45Å; I69-L140 HydrophobicContact CB-CD1 4.05Å; I69-L140 HydrophobicContact CD1-CD1 3.73Å; I69-L140 HydrophobicContact CD1-CG 4Å; I69-L140 HydrophobicContact CG1-CD1 4.49Å; I69-L140 HydrophobicContact CG2-CD1 3.72Å; L135-L140 CarbonylContact C-O 3.24Å; L135-L140 VanDerWaalsContact C-O 3.24Å; L135-L140 HydrophobicContact CB-CB 4.24Å; L135-L140 HydrophobicContact CD2-CD1 4.1Å; L135-L140 PolarHBondContact O-N 2.88Å; S136-L140 PolarHBondContact N-O 3.28Å; L140-S142 PolarHBondContact O-N 2.54Å; L140-I160 HydrophobicContact CB-CD1 4.36Å; L140-I160 HydrophobicContact CD1-CD1 4.37Å
141E97.1Very high96.9Very high84 Ų8439.5 Ų39.539%0.39323%0.232SC..  trans-67.2129.5168.7-75.5-58139.400110.2S136 Q161S136-E141 PolarHBondContact OG-OE1 3.3Å; E141-Q161 HydrophobicContact CB-CB 4.39Å; E141-Q161 PolarHBondContact O-N 3.45Å
142S97.8Very high96.8Very high4 Ų441.2 Ų41.23%0.02824%0.243CC..EExtended strand (participates in β ladder)trans-152.9157.9-170.759.60000112.9R132 L135 L140 V159R132-S142 WeakPolarHBondContact CD-O 3.4Å; R132-S142 WeakPolarHBondContact CG-O 3.5Å; L135-S142 WeakPolarHBondContact CD1-OG 3.44Å; L140-S142 PolarHBondContact O-N 2.54Å; S142-V159 CarbonylContact C-O 3.51Å; S142-V159 WeakPolarHBondContact CA-O 3.44Å; S142-V159 WeakPolarHBondContact CB-O 3.47Å
143V98.1Very high96.7Very high65 Ų6539.5 Ų39.539%0.39424%0.24SC..EExtended strand (participates in β ladder)trans-109.2127.8167.1-178.60000107.7T145 V159 Q161V143-T145 HydrophobicContact CG1-CG2 4.38Å; V143-V159 PolarHBondContact N-O 2.8Å; V143-V159 PolarHBondContact O-N 3.07Å; V143-Q161 HydrophobicContact CG2-CG 4.44Å; V143-Q161 VanDerWaalsContact CG2-NE2 3.31Å
144V98.5Very high96.6Very high13 Ų1339.6 Ų39.68%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-116.7121.3178.3-173.40000109.4C128 V131 R132 F156 Q157 V158C128-V144 HydrophobicContact CB-CB 4.26Å; C128-V144 HydrophobicContact CB-CG1 4Å; V131-V144 HydrophobicContact CB-CG1 4.29Å; V131-V144 HydrophobicContact CB-CG2 4.39Å; V131-V144 HydrophobicContact CG1-CG1 4.39Å; V131-V144 HydrophobicContact CG1-CG2 4.13Å; R132-V144 HydrophobicContact CB-CB 4.33Å; R132-V144 HydrophobicContact CB-CG2 3.74Å; R132-V144 HydrophobicContact CG-CG2 4.31Å; V144-F156 HydrophobicContact CG1-CD1 4.38Å; V144-Q157 CarbonylContact C-O 3.57Å; V144-Q157 VanDerWaalsContact CA-O 3.31Å; V144-Q157 WeakPolarHBondContact CA-O 3.5Å; V144-V158 HydrophobicContact CG1-CG2 4.24Å; V144-V158 HydrophobicContact CG2-CG1 4.31Å; V144-V158 HydrophobicContact CG2-CG2 4.08Å
145T98Very high96.6Very high71 Ų7142.7 Ų42.744%0.43625%0.254SS..EExtended strand (participates in β ladder)trans-119.3160.5172.959.80000109.6V143 F156 Q157V143-T145 HydrophobicContact CG1-CG2 4.38Å; T145-F156 CarbonylContact O-C 3.53Å; T145-F156 WeakPolarHBondContact O-CA 3.21Å; T145-Q157 PolarHBondContact N-O 3.33Å; T145-Q157 PolarHBondContact O-N 2.91Å
146A97.6Very high96.6Very high29 Ų2942.7 Ų42.724%0.2425%0.254CS..EExtended strand (participates in β ladder)trans-140.6147.1176.300000112.3L124 C128 K155 F156L124-A146 HydrophobicContact CB-CB 3.94Å; L124-A146 HydrophobicContact CD1-CB 3.74Å; L124-A146 HydrophobicContact CG-CB 4.44Å; C128-A146 VanDerWaalsContact SG-CB 3.51Å; A146-K155 CarbonylContact C-O 3.55Å; A146-K155 WeakPolarHBondContact CA-O 3.48Å; A146-F156 HydrophobicContact CB-CD1 3.62Å; A146-F156 HydrophobicContact CB-CE1 3.77Å; A146-F156 HydrophobicContact CB-CG 4.18Å; A146-F156 HydrophobicContact CB-CZ 4.46Å
147E95.2Very high96.6Very high107 Ų10745.5 Ų45.550%0.527%0.265SS..EExtended strand (participates in β ladder)trans-134.6153.7178.661.4170.8-163.500111.5C154 K155E147-C154 VanDerWaalsContact O-CA 3.3Å; E147-C154 WeakPolarHBondContact O-CA 3.4Å; E147-K155 HydrophobicContact CG-CB 4.07Å; E147-K155 PolarHBondContact N-O 2.98Å; E147-K155 PolarHBondContact O-N 3.25Å; E147-K155 IonicContact OE1-NZ 3.76Å
148V96.7Very high96.7Very high21 Ų2142.5 Ų42.513%0.12725%0.249CC..EExtended strand (participates in β ladder)trans-127.2119.7174.5-179.50000107.8L107 L117 A120 L124 M151 S153 C154L107-V148 HydrophobicContact CD1-CG2 3.8Å; L117-V148 HydrophobicContact CD2-CB 3.99Å; L117-V148 HydrophobicContact CD2-CG1 3.45Å; L117-V148 VanDerWaalsContact CD2-CG1 3.45Å; L117-V148 WeakPolarHBondContact CD2-O 3.27Å; A120-V148 HydrophobicContact CB-CB 3.88Å; A120-V148 HydrophobicContact CB-CG2 3.58Å; L124-V148 HydrophobicContact CD1-CG2 3.52Å; V148-M151 HydrophobicContact CG1-CE 4.16Å; V148-M151 HydrophobicContact CG1-CG 4.3Å; V148-M151 HydrophobicContact CG1-SD 3.72Å; V148-S153 WeakPolarHBondContact CG1-O 3.49Å; V148-C154 HydrophobicContact CG2-CB 3.87Å
149S93.8Very high96.8Very high70 Ų7043.2 Ų43.249%0.4925%0.254SS..EExtended strand (participates in β ladder)trans-92.2-30.3171.9-48.60000111.9
150I94.1Very high96.9Very high91 Ų9141 Ų4147%0.46723%0.227SC..EExtended strand (participates in β ladder)trans-154.9129.1178.2-172.7165.4000109.6S153I150-S153 WeakPolarHBondContact O-CA 3.37Å; I150-S153 WeakPolarHBondContact O-CB 3.42Å; I150-S153 PolarHBondContact O-N 2.94Å; I150-S153 VanDerWaalsContact O-O 3.07Å
151M94.2Very high96.8Very high8 Ų845 Ų454%0.03925%0.245CC..BIsolated β-bridgetrans-67.1141.3176.4-69.1-65-173.800111L107 G113 Y116 A120 V148L107-M151 HydrophobicContact CB-SD 4.12Å; L107-M151 HydrophobicContact CD1-SD 3.89Å; L107-M151 HydrophobicContact CD2-CE 4.09Å; L107-M151 HydrophobicContact CD2-SD 4.06Å; L107-M151 HydrophobicContact CG-SD 4.24Å; G113-M151 PolarHBondContact O-N 3.17Å; Y116-M151 WeakPolarHBondContact O-CE 3.44Å; A120-M151 HydrophobicContact CB-CE 3.52Å; V148-M151 HydrophobicContact CG1-CE 4.16Å; V148-M151 HydrophobicContact CG1-CG 4.3Å; V148-M151 HydrophobicContact CG1-SD 3.72Å
152P95.1Very high96Very high36 Ų3649.3 Ų49.323%0.23426%0.262CS..THydrogen-bonded Turncis-96.422.8-0.936-33.4000114.1K103 F104 L107 T108K103-P152 HydrophobicContact CB-CG 4.37Å; K103-P152 HydrophobicContact CG-CG 4.44Å; F104-P152 PolarHBondContact N-O 3.29Å; F104-P152 VanDerWaalsContact N-O 3.14Å; L107-P152 HydrophobicContact CB-CB 4.06Å; T108-P152 HydrophobicContact CG2-CB 4.27Å; T108-P152 HydrophobicContact CG2-CG 4.44Å
153S96.4Very high94.1Very high20 Ų2060.2 Ų60.214%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-84.3130.8-178.3-178.80000111.8D101 V148 I150D101-S153 CarbonylContact O-C 3.57Å; D101-S153 VanDerWaalsContact O-CA 3.27Å; D101-S153 WeakPolarHBondContact O-CA 3.43Å; D101-S153 PolarHBondContact O-OG 3.08Å; V148-S153 WeakPolarHBondContact CG1-O 3.49Å; I150-S153 WeakPolarHBondContact O-CA 3.37Å; I150-S153 WeakPolarHBondContact O-CB 3.42Å; I150-S153 PolarHBondContact O-N 2.94Å; I150-S153 VanDerWaalsContact O-O 3.07Å
154C97.2Very high93.9Very high1 Ų160 Ų601%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-130.7159.4176.365.10000111.7D101 F104 L107 L124 E147 V148 F156D101-C154 PolarHBondContact N-O 3.37Å; D101-C154 PolarHBondContact O-N 3.11Å; F104-C154 WeakPolarHBondContact CB-SG 3.2Å; F104-C154 VanDerWaalsContact CG-SG 3.5Å; L107-C154 HydrophobicContact CD1-CB 4.16Å; L124-C154 HydrophobicContact CD1-CB 3.99Å; L124-C154 HydrophobicContact CD2-CB 4.47Å; E147-C154 VanDerWaalsContact O-CA 3.3Å; E147-C154 WeakPolarHBondContact O-CA 3.4Å; V148-C154 HydrophobicContact CG2-CB 3.87Å; C154-F156 WeakPolarHBondContact SG-CE2 3.48Å
155K98.3Very high93.6Very high65 Ų6562.5 Ų62.528%0.28333%0.328SS..EExtended strand (participates in β ladder)trans-123.9130.2171-63.7174.9-168.3159.30109.1V98 L99 Q100 A146 E147V98-K155 HydrophobicContact CG1-CB 4.05Å; V98-K155 HydrophobicContact CG1-CD 4.21Å; V98-K155 HydrophobicContact CG1-CG 4.34Å; L99-K155 CarbonylContact O-C 3.56Å; L99-K155 WeakPolarHBondContact O-CA 3.14Å; Q100-K155 HydrophobicContact CB-CG 4.22Å; Q100-K155 HydrophobicContact CG-CG 4.1Å; A146-K155 CarbonylContact C-O 3.55Å; A146-K155 WeakPolarHBondContact CA-O 3.48Å; E147-K155 HydrophobicContact CG-CB 4.07Å; E147-K155 PolarHBondContact N-O 2.98Å; E147-K155 PolarHBondContact O-N 3.25Å; E147-K155 IonicContact OE1-NZ 3.76Å
156F98.4Very high93.4Very high0 Ų062 Ų620%032%0.322CS..EExtended strand (participates in β ladder)trans-100.5119.6169.6-65.1-96.8000108.4W78 V98 L99 F104 L124 V144 T145 A146 C154W78-F156 HydrophobicContact CH2-CD1 4.44Å; W78-F156 AromaticContact CH2-CD2 3.46Å; W78-F156 HydrophobicContact CH2-CD2 3.46Å; W78-F156 VanDerWaalsContact CH2-CD2 3.46Å; W78-F156 HydrophobicContact CH2-CE1 4.45Å; W78-F156 AromaticContact CH2-CE2 3.45Å; W78-F156 HydrophobicContact CH2-CE2 3.45Å; W78-F156 VanDerWaalsContact CH2-CE2 3.45Å; W78-F156 AromaticContact CH2-CG 3.97Å; W78-F156 HydrophobicContact CH2-CG 3.97Å; W78-F156 AromaticContact CH2-CZ 3.98Å; W78-F156 HydrophobicContact CH2-CZ 3.98Å; W78-F156 AromaticContact CZ2-CD2 3.86Å; W78-F156 HydrophobicContact CZ2-CD2 3.86Å; W78-F156 AromaticContact CZ2-CE2 3.6Å; W78-F156 HydrophobicContact CZ2-CE2 3.6Å; W78-F156 HydrophobicContact CZ2-CZ 4.34Å; V98-F156 CarbonylContact C-O 3.6Å; V98-F156 WeakPolarHBondContact CA-O 3.09Å; L99-F156 HydrophobicContact CB-CB 4.29Å; L99-F156 PolarHBondContact N-O 3.35Å; L99-F156 PolarHBondContact O-N 3Å; F104-F156 HydrophobicContact CD2-CE2 4.3Å; F104-F156 HydrophobicContact CE1-CE2 4.49Å; F104-F156 HydrophobicContact CE1-CZ 4.02Å; F104-F156 HydrophobicContact CE2-CE2 4.09Å; F104-F156 HydrophobicContact CE2-CZ 4.14Å; F104-F156 HydrophobicContact CZ-CE2 4.19Å; F104-F156 AromaticContact CZ-CZ 3.79Å; F104-F156 HydrophobicContact CZ-CZ 3.79Å; L124-F156 HydrophobicContact CD2-CZ 3.98Å; V144-F156 HydrophobicContact CG1-CD1 4.38Å; T145-F156 CarbonylContact O-C 3.53Å; T145-F156 WeakPolarHBondContact O-CA 3.21Å; A146-F156 HydrophobicContact CB-CD1 3.62Å; A146-F156 HydrophobicContact CB-CE1 3.77Å; A146-F156 HydrophobicContact CB-CG 4.18Å; A146-F156 HydrophobicContact CB-CZ 4.46Å; C154-F156 WeakPolarHBondContact SG-CE2 3.48Å
157Q98.5Very high93.1Very high82 Ų8263.9 Ų63.938%0.38333%0.327SS..EExtended strand (participates in β ladder)trans-95.5124.8172.3-178.3178.7-0.100108.8T96 Y97 V98 V144 T145 V159T96-Q157 HydrophobicContact CG2-CG 4.06Å; Y97-Q157 CarbonylContact O-C 3.5Å; Y97-Q157 WeakPolarHBondContact O-CA 2.95Å; V98-Q157 HydrophobicContact CG2-CG 4.42Å; V144-Q157 CarbonylContact C-O 3.57Å; V144-Q157 VanDerWaalsContact CA-O 3.31Å; V144-Q157 WeakPolarHBondContact CA-O 3.5Å; T145-Q157 PolarHBondContact N-O 3.33Å; T145-Q157 PolarHBondContact O-N 2.91Å; Q157-V159 HydrophobicContact CG-CG2 4.2Å
158V98.5Very high93Very high0 Ų061.3 Ų61.30%032%0.316CS..EExtended strand (participates in β ladder)trans-112.2120.8177.1-179.70000107.7M70 T96 Y97 L99 V131 L135 V144 I160M70-V158 HydrophobicContact CE-CB 4.34Å; M70-V158 HydrophobicContact CE-CG1 4.41Å; M70-V158 HydrophobicContact CE-CG2 4.27Å; T96-V158 CarbonylContact C-O 3.49Å; T96-V158 WeakPolarHBondContact CA-O 3.45Å; Y97-V158 PolarHBondContact N-O 2.98Å; Y97-V158 PolarHBondContact O-N 3.32Å; L99-V158 HydrophobicContact CD1-CG2 3.93Å; V131-V158 HydrophobicContact CG1-CG2 4.11Å; L135-V158 HydrophobicContact CD1-CG1 3.46Å; L135-V158 VanDerWaalsContact CD1-CG1 3.46Å; L135-V158 HydrophobicContact CD1-CG2 4.46Å; V144-V158 HydrophobicContact CG1-CG2 4.24Å; V144-V158 HydrophobicContact CG2-CG1 4.31Å; V144-V158 HydrophobicContact CG2-CG2 4.08Å; V158-I160 HydrophobicContact CG1-CD1 3.86Å
159V98.3Very high92.8Very high51 Ų5163.9 Ų63.931%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-113109.7175.2-176.50000108.1T96 S142 V143 Q157T96-V159 HydrophobicContact CG2-CG2 4.21Å; S142-V159 CarbonylContact C-O 3.51Å; S142-V159 WeakPolarHBondContact CA-O 3.44Å; S142-V159 WeakPolarHBondContact CB-O 3.47Å; V143-V159 PolarHBondContact N-O 2.8Å; V143-V159 PolarHBondContact O-N 3.07Å; Q157-V159 HydrophobicContact CG-CG2 4.2Å
160I97.1Very high92.7Very high17 Ų1763.5 Ų63.59%0.08732%0.317CS..EExtended strand (participates in β ladder)trans-71.8129.9175.5-51.9-56.3000108.7E66 G95 Y97 L140 V158E66-I160 HydrophobicContact CG-CG1 4.43Å; G95-I160 PolarHBondContact O-N 2.84Å; Y97-I160 HydrophobicContact CD2-CG1 4.32Å; Y97-I160 HydrophobicContact CE2-CG1 4.06Å; L140-I160 HydrophobicContact CB-CD1 4.36Å; L140-I160 HydrophobicContact CD1-CD1 4.37Å; V158-I160 HydrophobicContact CG1-CD1 3.86Å
161Q93.4Very high92.6Very high110 Ų11061.4 Ų61.451%0.51431%0.306SS..PPolyproline II helixtrans-84.1122.3176.3-63.2-165.6-15.100109.1E141 V143E141-Q161 HydrophobicContact CB-CB 4.39Å; E141-Q161 PolarHBondContact O-N 3.45Å; V143-Q161 HydrophobicContact CG2-CG 4.44Å; V143-Q161 VanDerWaalsContact CG2-NE2 3.31Å
162K79.9Confident92.5Very high174 Ų17465.8 Ų65.876%0.75733%0.328SS*.PPolyproline II helixtrans-79.4120.7170.4-63.9-177.2-179.7-1800107.7
163L58.4Low92.2Very high234 Ų23468.5 Ų68.5100%1.22534%0.337SS*.  trans-66.30167.2-72.6166.3000110.7

Retrieved 163 of 163 residues in 257.3 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).