G4VE33_SCHMA Loading...

ribose-phosphate diphosphokinase

Catalyzes the synthesis of phosphoribosylpyrophosphate (PRPP) that is essential for nucleotide synthesis.

AlphaFold DB , UniProt , Accession G4VE33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.7Low91.6Very high178 Ų17848.5 Ų48.588%0.87727%0.27SS*.  0142.50-83.2163.1168.200107.4
2P78.7Confident91.9Very high46 Ų4645.4 Ų45.430%0.29925%0.252SS..PPolyproline II helixtrans-48.8152.2165.2-25.535.8000110.5G50 D52 H304P2-G50 VanDerWaalsContact CB-O 3.32Å; P2-G50 WeakPolarHBondContact CB-O 3.32Å; P2-D52 HydrophobicContact CB-CB 3.89Å; P2-H304 PolarHBondContact O-CE1 2.75Å; P2-H304 PolarHBondContact O-NE2 3.48Å
3N91.5Very high92.1Very high105 Ų10555.6 Ų55.656%0.56128%0.284SS*.PPolyproline II helixtrans-78.9151.9166.6-56.8-57.5000109.4E51 D52N3-E51 VanDerWaalsContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CA-OE2 3.38Å; N3-E51 WeakPolarHBondContact CB-OE2 3.41Å; N3-E51 PolarHBondContact N-OE2 3.17Å; N3-E51 PolarHBondContact ND2-OE1 2.86Å; N3-D52 PolarHBondContact O-N 3.25Å
4I96.2Very high92.4Very high39 Ų3957.6 Ų57.620%0.230%0.296CS..EExtended strand (participates in β ladder)trans-75.6134.2172.8-172.5163000110.9V6 I23 Y54 I300I4-V6 HydrophobicContact CD1-CG2 4.41Å; I4-V6 HydrophobicContact CG1-CG2 4.22Å; I4-I23 HydrophobicContact CD1-CD1 4.39Å; I4-I23 HydrophobicContact CD1-CG2 3.98Å; I4-Y54 HydrophobicContact CD1-CD2 4.02Å; I4-Y54 HydrophobicContact CD1-CE2 3.88Å; I4-Y54 HydrophobicContact CG1-CD2 3.82Å; I4-Y54 HydrophobicContact CG1-CE2 3.86Å; I4-I300 HydrophobicContact CD1-CG2 3.46Å; I4-I300 VanDerWaalsContact CD1-CG2 3.46Å
5K97.4Very high92.8Very high56 Ų5653.7 Ų53.724%0.24328%0.276CS..EExtended strand (participates in β ladder)trans-128.5125170-71.9-68.7-174.5175.40110F7 E46 E51 D52 V53 Y54K5-F7 HydrophobicContact CB-CE2 3.86Å; K5-E46 WeakPolarHBondContact CD-OE2 3.38Å; K5-E46 VanDerWaalsContact CE-OE2 3.31Å; K5-E46 WeakPolarHBondContact CE-OE2 3.46Å; K5-E46 IonicContact NZ-OE2 2.66Å; K5-E46 PolarHBondContact NZ-OE2 3.47Å; K5-E51 HydrophobicContact CG-CB 3.91Å; K5-E51 HydrophobicContact CG-CG 4.05Å; K5-D52 PolarHBondContact N-O 2.73Å; K5-V53 HydrophobicContact CB-CG2 4.37Å; K5-V53 CarbonylContact O-C 3.58Å; K5-V53 WeakPolarHBondContact O-CA 3.45Å; K5-Y54 PolarHBondContact O-N 3.27Å
6V98.1Very high93.1Very high1 Ų150.4 Ų50.41%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-111.9125.3178.7-175.80000109.2I4 I23 L27 G28 Y54 I56I4-V6 HydrophobicContact CD1-CG2 4.41Å; I4-V6 HydrophobicContact CG1-CG2 4.22Å; V6-I23 HydrophobicContact CG2-CD1 4.12Å; V6-L27 HydrophobicContact CB-CD2 4.34Å; V6-L27 HydrophobicContact CG1-CD2 3.81Å; V6-L27 CarbonylContact O-C 3.57Å; V6-L27 WeakPolarHBondContact O-CA 3.36Å; V6-G28 PolarHBondContact O-N 2.81Å; V6-Y54 CarbonylContact C-O 3.56Å; V6-Y54 WeakPolarHBondContact CA-O 3.32Å; V6-I56 HydrophobicContact CG1-CD1 3.41Å; V6-I56 VanDerWaalsContact CG1-CD1 3.41Å; V6-I56 HydrophobicContact CG1-CG1 4.11Å
7F98.2Very high93.4Very high0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-116.5152.7173.4-63.5-91.3000110.1K5 V30 V44 E46 V48 V53 Y54 I55 I56 M73K5-F7 HydrophobicContact CB-CE2 3.86Å; F7-V30 HydrophobicContact CD1-CB 4.2Å; F7-V30 HydrophobicContact CD1-CG1 4.5Å; F7-V44 HydrophobicContact CE1-CG1 3.83Å; F7-V44 HydrophobicContact CZ-CG1 3.82Å; F7-E46 HydrophobicContact CE1-CG 4.05Å; F7-E46 HydrophobicContact CZ-CG 3.93Å; F7-V48 HydrophobicContact CE2-CG1 3.64Å; F7-V48 HydrophobicContact CZ-CG1 3.54Å; F7-V53 HydrophobicContact CD2-CG1 3.76Å; F7-V53 HydrophobicContact CE2-CG1 3.92Å; F7-Y54 PolarHBondContact N-O 2.66Å; F7-I55 HydrophobicContact CB-CG1 4.48Å; F7-I56 PolarHBondContact O-N 2.91Å; F7-M73 HydrophobicContact CB-CE 3.68Å
8S97.5Very high93.6Very high10 Ų1052.6 Ų52.67%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-112.3135.1174-174.90000109.2A16S8-A16 VanDerWaalsContact CB-CB 3.46Å; S8-A16 VanDerWaalsContact OG-CB 3.24Å; S8-A16 WeakPolarHBondContact OG-CB 3.33Å
9G95.7Very high93.9Very high5 Ų549.8 Ų49.85%0.05225%0.251CS..  trans-74.8-172.9156.900000111.3I56G9-I56 PolarHBondContact N-O 2.91Å
10S94.5Very high94Very high77 Ų7747.4 Ų47.454%0.53824%0.239SC..SBendtrans-79.9-18-177.566.50000114.5N12 N66 E69S10-N12 PolarHBondContact O-N 3.47Å; S10-N66 PolarHBondContact OG-OD1 3.01Å; S10-E69 WeakPolarHBondContact CB-OE1 3.23Å; S10-E69 VanDerWaalsContact CB-OE2 3.28Å; S10-E69 WeakPolarHBondContact CB-OE2 3.38Å; S10-E69 PolarHBondContact N-OE1 2.68Å; S10-E69 PolarHBondContact N-OE2 2.8Å; S10-E69 PolarHBondContact OG-OE2 3.2Å
11S93Very high94.2Very high17 Ų1749.8 Ų49.812%0.11925%0.252CS..SBendtrans-68-36.4-16864.60000115.7Q57 T58 P276S11-Q57 PolarHBondContact OG-OE1 3.12Å; S11-T58 WeakPolarHBondContact OG-CG2 3.32Å; S11-T58 PolarHBondContact OG-N 2.99Å; S11-P276 VanDerWaalsContact O-CG 3.25Å; S11-P276 WeakPolarHBondContact O-CG 3.19Å
12N95Very high95.6Very high11 Ų1147.2 Ų47.26%0.05923%0.233CC..  trans-157.170.8-175.6-167-8.2000112.1S10 D14 L15 A16 T58 N273 P276S10-N12 PolarHBondContact O-N 3.47Å; N12-D14 VanDerWaalsContact C-N 3.3Å; N12-D14 PolarHBondContact O-N 3.3Å; N12-L15 HydrophobicContact CB-CB 4.33Å; N12-L15 VanDerWaalsContact CG-CB 3.46Å; N12-L15 WeakPolarHBondContact ND2-CB 3.4Å; N12-L15 PolarHBondContact O-N 2.82Å; N12-L15 WeakPolarHBondContact OD1-CB 3.46Å; N12-L15 PolarHBondContact OD1-N 2.82Å; N12-A16 PolarHBondContact O-N 2.99Å; N12-T58 HydrophobicContact CB-CG2 3.89Å; N12-N273 PolarHBondContact ND2-O 3.15Å; N12-P276 HydrophobicContact CB-CG 3.96Å
13R94.9Very high96.4Very high178 Ų17846.9 Ų46.967%0.67223%0.228SC*.Hα-helixtrans-65.6-30.2-177.6-167.2171.2-177.3154.42.3113.6A16 Q17R13-A16 PolarHBondContact O-N 3.42Å; R13-Q17 WeakPolarHBondContact O-CB 3.47Å; R13-Q17 PolarHBondContact O-N 2.99Å
14D96.7Very high96.6Very high83 Ų8345.2 Ų45.244%0.44424%0.236SC..Hα-helixtrans-61.1-49.4175.2173.869000111.2N12 A16 Q17 K18N12-D14 VanDerWaalsContact C-N 3.3Å; N12-D14 PolarHBondContact O-N 3.3Å; D14-A16 VanDerWaalsContact C-N 3.34Å; D14-A16 PolarHBondContact O-N 2.98Å; D14-Q17 PolarHBondContact O-N 3.27Å; D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 3.37Å; D14-K18 WeakPolarHBondContact OD1-CE 3.34Å; D14-K18 IonicContact OD1-NZ 3.84Å; D14-K18 PolarHBondContact OD1-NZ 2.98Å; D14-K18 WeakPolarHBondContact OD2-CE 3.11Å; D14-K18 IonicContact OD2-NZ 3.71Å; D14-K18 PolarHBondContact OD2-NZ 2.8Å
15L97.8Very high96.5Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-61-44.5176.4177.862.7000111.5N12 Q17 K18 I19 P90 L296N12-L15 HydrophobicContact CB-CB 4.33Å; N12-L15 VanDerWaalsContact CG-CB 3.46Å; N12-L15 WeakPolarHBondContact ND2-CB 3.4Å; N12-L15 PolarHBondContact O-N 2.82Å; N12-L15 WeakPolarHBondContact OD1-CB 3.46Å; N12-L15 PolarHBondContact OD1-N 2.82Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 3.08Å; L15-K18 PolarHBondContact O-N 3.13Å; L15-I19 HydrophobicContact CD1-CD1 3.97Å; L15-I19 HydrophobicContact CD1-CG1 4.31Å; L15-I19 HydrophobicContact CG-CD1 3.82Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.48Å; L15-P90 HydrophobicContact CD2-CB 4.12Å; L15-P90 HydrophobicContact CD2-CG 3.63Å; L15-L296 HydrophobicContact CD1-CD1 4.19Å; L15-L296 HydrophobicContact CD2-CD1 4.03Å; L15-L296 HydrophobicContact CG-CD1 4.46Å
16A97.7Very high96.4Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-61.9-40.917900000112.2S8 N12 R13 D14 I19 A20 L27 I56S8-A16 VanDerWaalsContact CB-CB 3.46Å; S8-A16 VanDerWaalsContact OG-CB 3.24Å; S8-A16 WeakPolarHBondContact OG-CB 3.33Å; N12-A16 PolarHBondContact O-N 2.99Å; R13-A16 PolarHBondContact O-N 3.42Å; D14-A16 VanDerWaalsContact C-N 3.34Å; D14-A16 PolarHBondContact O-N 2.98Å; A16-I19 PolarHBondContact O-N 3.25Å; A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 3Å; A16-L27 HydrophobicContact CB-CD1 4.29Å; A16-L27 HydrophobicContact CB-CD2 4.17Å; A16-I56 HydrophobicContact CB-CB 4.04Å; A16-I56 HydrophobicContact CB-CD1 3.94Å; A16-I56 HydrophobicContact CB-CG2 4.03Å
17Q97.7Very high96.4Very high70 Ų7054.3 Ų54.333%0.32727%0.272SS..Hα-helixtrans-64.2-47176.3-172.461.659.500111.1R13 D14 L15 I19 A20 D21 L27R13-Q17 WeakPolarHBondContact O-CB 3.47Å; R13-Q17 PolarHBondContact O-N 2.99Å; D14-Q17 PolarHBondContact O-N 3.27Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-Q17 PolarHBondContact O-N 3.08Å; Q17-I19 VanDerWaalsContact C-N 3.28Å; Q17-I19 PolarHBondContact O-N 3.44Å; Q17-A20 PolarHBondContact O-N 3.1Å; Q17-A20 VanDerWaalsContact O-N 3.14Å; Q17-D21 PolarHBondContact NE2-OD1 3.5Å; Q17-D21 PolarHBondContact O-N 3.45Å; Q17-L27 HydrophobicContact CB-CD1 4.29Å
18K98.1Very high96.3Very high71 Ų7154.7 Ų54.731%0.30928%0.276SS..Hα-helixtrans-58-40.4176-73.5171.5177.5162.30112.3D14 L15 R22D14-K18 WeakPolarHBondContact O-CG 3.32Å; D14-K18 PolarHBondContact O-N 3.37Å; D14-K18 WeakPolarHBondContact OD1-CE 3.34Å; D14-K18 IonicContact OD1-NZ 3.84Å; D14-K18 PolarHBondContact OD1-NZ 2.98Å; D14-K18 WeakPolarHBondContact OD2-CE 3.11Å; D14-K18 IonicContact OD2-NZ 3.71Å; D14-K18 PolarHBondContact OD2-NZ 2.8Å; L15-K18 PolarHBondContact O-N 3.13Å; K18-R22 WeakPolarHBondContact O-CB 3.39Å; K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 3.17Å; K18-R22 VanDerWaalsContact O-N 3.11Å
19I98.2Very high96.3Very high0 Ų061.1 Ų61.10%030%0.299CS..Hα-helixtrans-64-48175.7-71.7164.7000110.6L15 A16 Q17 D21 R22 I23 I56 L296 A297 I300L15-I19 HydrophobicContact CD1-CD1 3.97Å; L15-I19 HydrophobicContact CD1-CG1 4.31Å; L15-I19 HydrophobicContact CG-CD1 3.82Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.32Å; L15-I19 PolarHBondContact O-N 3.48Å; A16-I19 PolarHBondContact O-N 3.25Å; Q17-I19 VanDerWaalsContact C-N 3.28Å; Q17-I19 PolarHBondContact O-N 3.44Å; I19-D21 VanDerWaalsContact C-N 3.35Å; I19-D21 PolarHBondContact O-N 2.86Å; I19-R22 PolarHBondContact O-N 3.4Å; I19-I23 HydrophobicContact CG2-CD1 3.69Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.46Å; I19-I56 HydrophobicContact CB-CD1 3.94Å; I19-I56 HydrophobicContact CD1-CD1 3.82Å; I19-I56 HydrophobicContact CD1-CG2 4.38Å; I19-I56 HydrophobicContact CG2-CD1 3.73Å; I19-L296 HydrophobicContact CD1-CB 3.65Å; I19-L296 HydrophobicContact CD1-CD1 3.84Å; I19-L296 HydrophobicContact CD1-CG 4.38Å; I19-L296 HydrophobicContact CG1-CB 4.03Å; I19-A297 HydrophobicContact CG2-CB 4.25Å; I19-I300 HydrophobicContact CG2-CD1 3.56Å
20A97.4Very high96.3Very high0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-60.3-44.2179.400000111.9A16 Q17 R22 I23 G24 C25 L27A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 3Å; Q17-A20 PolarHBondContact O-N 3.1Å; Q17-A20 VanDerWaalsContact O-N 3.14Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 2.81Å; A20-I23 PolarHBondContact O-N 2.97Å; A20-G24 PolarHBondContact O-N 2.84Å; A20-C25 CarbonylContact C-O 3.56Å; A20-C25 VanDerWaalsContact C-O 3.3Å; A20-C25 PolarHBondContact O-N 3.46Å; A20-L27 HydrophobicContact CB-CD2 3.79Å; A20-L27 HydrophobicContact CB-CG 3.96Å
21D97.3Very high96.3Very high98 Ų9861.2 Ų61.252%0.52430%0.296SS..Hα-helixtrans-60.6-42.7177.9-66.2-18.9000111.5Q17 I19 G24Q17-D21 PolarHBondContact NE2-OD1 3.5Å; Q17-D21 PolarHBondContact O-N 3.45Å; I19-D21 VanDerWaalsContact C-N 3.35Å; I19-D21 PolarHBondContact O-N 2.86Å; D21-G24 PolarHBondContact O-N 2.9Å; D21-G24 VanDerWaalsContact O-N 3.12Å
22R96.5Very high96.3Very high125 Ų12562.7 Ų62.747%0.47231%0.306SS..Hα-helixtrans-69.2-32.8178.1-71.8179.8-170.5-76.25113.5K18 I19 A20 D291 S293 T294 A297K18-R22 WeakPolarHBondContact O-CB 3.39Å; K18-R22 VanDerWaalsContact O-CG 3.24Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 3.17Å; K18-R22 VanDerWaalsContact O-N 3.11Å; I19-R22 PolarHBondContact O-N 3.4Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 2.81Å; R22-D291 IonicContact CZ-OD2 2.82Å; R22-D291 IonicContact NH2-OD2 3.82Å; R22-D291 PolarHBondContact NH2-OD2 3.19Å; R22-S293 PolarHBondContact NE-OG 3.27Å; R22-S293 PolarHBondContact NH2-OG 2.88Å; R22-T294 PolarHBondContact NE-OG1 3.01Å; R22-T294 PolarHBondContact NH1-OG1 3.23Å; R22-T294 PolarHBondContact NH2-OG1 3.4Å; R22-A297 HydrophobicContact CB-CB 3.66Å
23I95.3Very high96.3Very high39 Ų3967.1 Ų67.120%0.233%0.325CS..Hα-helixtrans-72.7-21.3172.5-66.5167.2000110.8I4 V6 I19 A20 C25 A297 I300I4-I23 HydrophobicContact CD1-CD1 4.39Å; I4-I23 HydrophobicContact CD1-CG2 3.98Å; V6-I23 HydrophobicContact CG2-CD1 4.12Å; I19-I23 HydrophobicContact CG2-CD1 3.69Å; I19-I23 WeakPolarHBondContact O-CG1 3.21Å; I19-I23 PolarHBondContact O-N 3.46Å; A20-I23 PolarHBondContact O-N 2.97Å; I23-C25 HydrophobicContact CG2-CB 4.35Å; I23-A297 HydrophobicContact CD1-CB 4.49Å; I23-A297 HydrophobicContact CG1-CB 3.96Å; I23-I300 HydrophobicContact CD1-CB 3.96Å; I23-I300 HydrophobicContact CD1-CD1 4.05Å; I23-I300 HydrophobicContact CD1-CG2 3.58Å
24G95.1Very high96.3Very high70 Ų7063.3 Ų63.372%0.72231%0.313SS*.THydrogen-bonded Turntrans82.729.4-175.100000112.9A20 D21A20-G24 PolarHBondContact O-N 2.84Å; D21-G24 PolarHBondContact O-N 2.9Å; D21-G24 VanDerWaalsContact O-N 3.12Å
25C94.6Very high96.2Very high28 Ų2863.7 Ų63.719%0.18931%0.311CS..  trans-125.7165.9179.274.50000111.6A20 I23A20-C25 CarbonylContact C-O 3.56Å; A20-C25 VanDerWaalsContact C-O 3.3Å; A20-C25 PolarHBondContact O-N 3.46Å; I23-C25 HydrophobicContact CG2-CB 4.35Å
26R96.5Very high96.1Very high229 Ų22969.8 Ų69.886%0.86435%0.353SS*.PPolyproline II helixtrans-96.2147170.6-64.9-177.6-178.5179.60.5109.1G28R26-G28 PolarHBondContact O-N 3.47Å
27L97.5Very high96Very high29 Ų2974.2 Ų74.215%0.15238%0.377CS..BIsolated β-bridgetrans-57.4131.9166.9-69.9178.9000109.7V6 A16 Q17 A20V6-L27 HydrophobicContact CB-CD2 4.34Å; V6-L27 HydrophobicContact CG1-CD2 3.81Å; V6-L27 CarbonylContact O-C 3.57Å; V6-L27 WeakPolarHBondContact O-CA 3.36Å; A16-L27 HydrophobicContact CB-CD1 4.29Å; A16-L27 HydrophobicContact CB-CD2 4.17Å; Q17-L27 HydrophobicContact CB-CD1 4.29Å; A20-L27 HydrophobicContact CB-CD2 3.79Å; A20-L27 HydrophobicContact CB-CG 3.96Å
28G96.6Very high95.9Very high9 Ų976.8 Ų76.89%0.09339%0.389CS..PPolyproline II helixtrans-63.3150.2173.800000111.2V6 R26 V30 E46V6-G28 PolarHBondContact O-N 2.81Å; R26-G28 PolarHBondContact O-N 3.47Å; G28-V30 PolarHBondContact O-N 2.73Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å
29R96.2Very high95.9Very high144 Ų14478.8 Ų78.854%0.54340%0.399SS..PPolyproline II helixtrans-75.2117.2179.8-64.8-170-58.7-81.2-5.4110.1E45 E46R29-E45 HydrophobicContact CB-CB 3.84Å; R29-E45 HydrophobicContact CB-CG 4.5Å; R29-E45 PolarHBondContact NH2-O 3.29Å; R29-E45 VanDerWaalsContact NH2-O 3.1Å; R29-E45 PolarHBondContact O-N 3.45Å; R29-E46 PolarHBondContact N-OE1 2.82Å
30V96.4Very high95.8Very high33 Ų3380 Ų8020%0.241%0.407CS..EExtended strand (participates in β ladder)trans-133130.3171.163.20000108.3F7 G28 V42 E43 M73F7-V30 HydrophobicContact CD1-CB 4.2Å; F7-V30 HydrophobicContact CD1-CG1 4.5Å; G28-V30 PolarHBondContact O-N 2.73Å; V30-V42 HydrophobicContact CG2-CG1 3.76Å; V30-E43 WeakPolarHBondContact CA-O 3.42Å; V30-E43 WeakPolarHBondContact CG2-O 3.39Å; V30-M73 HydrophobicContact CG1-CE 4.24Å; V30-M73 HydrophobicContact CG2-CE 4.21Å
31T95.1Very high95.8Very high52 Ų5281.2 Ų81.232%0.31942%0.416SS..EExtended strand (participates in β ladder)trans-93.2117.2165.4-79.80000107.7V42 E43 E45T31-V42 CarbonylContact O-C 3.57Å; T31-V42 WeakPolarHBondContact O-CA 3.47Å; T31-E43 PolarHBondContact N-O 3.23Å; T31-E43 PolarHBondContact O-N 3.15Å; T31-E45 WeakPolarHBondContact CB-OE1 3.36Å; T31-E45 PolarHBondContact OG1-OE1 2.89Å
32S92.8Very high95.9Very high48 Ų4877.7 Ų77.734%0.33640%0.397SS..EExtended strand (participates in β ladder)trans-120127.3171.6179.90000109.5S41 E69S32-S41 WeakPolarHBondContact CA-O 3.3Å; S32-E69 WeakPolarHBondContact CB-OE1 2.88Å; S32-E69 PolarHBondContact OG-OE1 2.78Å
33K94.1Very high95.9Very high104 Ų10477.5 Ų77.545%0.45240%0.402SS..EExtended strand (participates in β ladder)trans-146158.5-179.865.4-171.3176.3-168.80110.5S41K33-S41 PolarHBondContact N-O 2.97Å; K33-S41 PolarHBondContact O-N 3.08Å
34K94.2Very high96Very high98 Ų9877.2 Ų77.243%0.42640%0.402SS..EExtended strand (participates in β ladder)trans-98.7131.7166.1-71.9-166.5178.1-173.30110.6E39 D65K34-E39 CarbonylContact C-O 3.48Å; K34-E39 WeakPolarHBondContact CA-O 3.34Å; K34-D65 IonicContact NZ-OD1 3.57Å; K34-D65 IonicContact NZ-OD2 2.59Å; K34-D65 PolarHBondContact NZ-OD2 3.22Å
35F94.9Very high96Very high90 Ų9078.1 Ų78.140%0.39539%0.387SS..  trans-67.2164.1165.8-66.6-44.6000110.4N37 Q38 E39 S41F35-N37 VanDerWaalsContact CB-OD1 3.3Å; F35-N37 WeakPolarHBondContact CB-OD1 3.44Å; F35-N37 PolarHBondContact O-N 3.11Å; F35-N37 VanDerWaalsContact O-N 3.1Å; F35-Q38 PolarHBondContact O-N 3.44Å; F35-E39 HydrophobicContact CB-CB 4.39Å; F35-E39 HydrophobicContact CD2-CB 3.9Å; F35-E39 PolarHBondContact N-O 2.98Å; F35-S41 VanDerWaalsContact CZ-CB 3.46Å; F35-S41 WeakPolarHBondContact CZ-OG 3.41Å
36S95.6Very high96.1Very high128 Ų12878.4 Ų78.490%0.89539%0.386SS*.THydrogen-bonded Turntrans-60.4-23-177.755.80000113.6Q38S36-Q38 VanDerWaalsContact C-N 3.34Å
37N96.7Very high96.1Very high93 Ų9371.7 Ų71.750%0.49737%0.374SS..THydrogen-bonded Turntrans-91.213.4175.471.7-24.1000113.9F35 E39F35-N37 VanDerWaalsContact CB-OD1 3.3Å; F35-N37 WeakPolarHBondContact CB-OD1 3.44Å; F35-N37 PolarHBondContact O-N 3.11Å; F35-N37 VanDerWaalsContact O-N 3.1Å; N37-E39 VanDerWaalsContact C-N 3.3Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 3.28Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 PolarHBondContact OD1-N 2.88Å
38Q95.3Very high96.1Very high124 Ų12470.4 Ų70.458%0.57937%0.367SS*.SBendtrans73.83.6-179.9-46.8-63.42.700116.7F35 S36F35-Q38 PolarHBondContact O-N 3.44Å; S36-Q38 VanDerWaalsContact C-N 3.34Å
39E97.5Very high96.2Very high113 Ų11377.8 Ų77.853%0.52839%0.392SS..  trans-64.9138.3170.7-76.2175.4-154.600111.2K34 F35 N37K34-E39 CarbonylContact C-O 3.48Å; K34-E39 WeakPolarHBondContact CA-O 3.34Å; F35-E39 HydrophobicContact CB-CB 4.39Å; F35-E39 HydrophobicContact CD2-CB 3.9Å; F35-E39 PolarHBondContact N-O 2.98Å; N37-E39 VanDerWaalsContact C-N 3.3Å; N37-E39 VanDerWaalsContact ND2-CD 3.27Å; N37-E39 PolarHBondContact ND2-OE1 3.28Å; N37-E39 PolarHBondContact O-N 2.97Å; N37-E39 PolarHBondContact OD1-N 2.88Å
40T97.3Very high96.2Very high27 Ų2772.7 Ų72.717%0.16639%0.385CS..EExtended strand (participates in β ladder)trans-85.4126.3177-58.90000109.7V42 E69 I72T40-V42 HydrophobicContact CG2-CG2 4.07Å; T40-E69 HydrophobicContact CG2-CB 3.91Å; T40-E69 HydrophobicContact CG2-CG 4.1Å; T40-I72 HydrophobicContact CG2-CD1 4.18Å
41S97.3Very high96.3Very high25 Ų2572.7 Ų72.718%0.17538%0.383CS..EExtended strand (participates in β ladder)trans-114.2124176.71760000109S32 K33 F35S32-S41 WeakPolarHBondContact CA-O 3.3Å; K33-S41 PolarHBondContact N-O 2.97Å; K33-S41 PolarHBondContact O-N 3.08Å; F35-S41 VanDerWaalsContact CZ-CB 3.46Å; F35-S41 WeakPolarHBondContact CZ-OG 3.41Å
42V97.5Very high96.4Very high23 Ų2370.3 Ų70.314%0.13937%0.368CS..EExtended strand (participates in β ladder)trans-125.6133.9-179.3175.10000108.7V30 T31 T40 E69 I72 M73V30-V42 HydrophobicContact CG2-CG1 3.76Å; T31-V42 CarbonylContact O-C 3.57Å; T31-V42 WeakPolarHBondContact O-CA 3.47Å; T40-V42 HydrophobicContact CG2-CG2 4.07Å; V42-E69 HydrophobicContact CG2-CG 4.16Å; V42-I72 HydrophobicContact CB-CG2 3.74Å; V42-I72 HydrophobicContact CG2-CB 4.23Å; V42-I72 HydrophobicContact CG2-CG2 3.86Å; V42-M73 HydrophobicContact CB-CG 4.44Å; V42-M73 HydrophobicContact CG1-CB 4.44Å; V42-M73 HydrophobicContact CG1-CG 3.5Å; V42-M73 HydrophobicContact CG2-CG 4.14Å
43E97.5Very high96.7Very high121 Ų12168 Ų6857%0.56535%0.352SS*.EExtended strand (participates in β ladder)trans-133.8119.3173.6-170.3169.7-176.600109.8V30 T31V30-E43 WeakPolarHBondContact CA-O 3.42Å; V30-E43 WeakPolarHBondContact CG2-O 3.39Å; T31-E43 PolarHBondContact N-O 3.23Å; T31-E43 PolarHBondContact O-N 3.15Å
44V97.1Very high96.9Very high33 Ų3363.1 Ų63.120%0.233%0.331CS..EExtended strand (participates in β ladder)trans-83.9111.9175.2-1780000108.1F7 E46 V48 A76F7-V44 HydrophobicContact CE1-CG1 3.83Å; F7-V44 HydrophobicContact CZ-CG1 3.82Å; V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 PolarHBondContact O-N 3.12Å; V44-V48 HydrophobicContact CG1-CG1 3.99Å; V44-A76 HydrophobicContact CG2-CB 4.16Å
45E96.2Very high97.1Very high89 Ų8958.4 Ų58.442%0.41631%0.31SS..  trans-92.816.3-168.5-53.5-175.916200113.8R29 T31R29-E45 HydrophobicContact CB-CB 3.84Å; R29-E45 HydrophobicContact CB-CG 4.5Å; R29-E45 PolarHBondContact NH2-O 3.29Å; R29-E45 VanDerWaalsContact NH2-O 3.1Å; R29-E45 PolarHBondContact O-N 3.45Å; T31-E45 WeakPolarHBondContact CB-OE1 3.36Å; T31-E45 PolarHBondContact OG1-OE1 2.89Å
46E96Very high97.3Very high35 Ų3554.3 Ų54.316%0.16429%0.292CS..SBendtrans-144.7155.9176.862-177.58200111.4K5 F7 G28 R29 V44 V48K5-E46 WeakPolarHBondContact CD-OE2 3.38Å; K5-E46 VanDerWaalsContact CE-OE2 3.31Å; K5-E46 WeakPolarHBondContact CE-OE2 3.46Å; K5-E46 IonicContact NZ-OE2 2.66Å; K5-E46 PolarHBondContact NZ-OE2 3.47Å; F7-E46 HydrophobicContact CE1-CG 4.05Å; F7-E46 HydrophobicContact CZ-CG 3.93Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å; R29-E46 PolarHBondContact N-OE1 2.82Å; V44-E46 VanDerWaalsContact C-N 3.3Å; V44-E46 PolarHBondContact O-N 3.12Å; E46-V48 PolarHBondContact O-N 2.86Å
47S96.8Very high97.4Very high88 Ų8848.3 Ų48.362%0.61525%0.25SS*.  trans-69128.5178.1-164.30000110.1R49S47-R49 PolarHBondContact OG-N 2.74Å
48V97.9Very high97.3Very high1 Ų144.1 Ų44.11%0.00623%0.228CC..  trans-109.510.9170.6-63.80000111.7F7 V44 E46 G50 E51 V53 C77 A80 S82F7-V48 HydrophobicContact CE2-CG1 3.64Å; F7-V48 HydrophobicContact CZ-CG1 3.54Å; V44-V48 HydrophobicContact CG1-CG1 3.99Å; E46-V48 PolarHBondContact O-N 2.86Å; V48-G50 PolarHBondContact O-N 2.88Å; V48-E51 WeakPolarHBondContact O-CB 3.4Å; V48-E51 PolarHBondContact O-N 2.88Å; V48-E51 VanDerWaalsContact O-N 3.08Å; V48-V53 HydrophobicContact CB-CG2 3.91Å; V48-V53 HydrophobicContact CG1-CG2 4.12Å; V48-C77 HydrophobicContact CG2-CB 4.44Å; V48-A80 HydrophobicContact CG2-CB 3.58Å; V48-S82 WeakPolarHBondContact O-CA 3.39Å
49R97.6Very high96.9Very high164 Ų16438.8 Ų38.862%0.61921%0.206SC*.THydrogen-bonded Turntrans-63.1120.3-175.1178.3178.2-64.1-72.8-6.3110.3S47 E51 S81S47-R49 PolarHBondContact OG-N 2.74Å; R49-E51 PolarHBondContact O-N 3.35Å; R49-S81 CarbonylContact C-O 3.53Å; R49-S81 WeakPolarHBondContact CA-O 3.39Å; R49-S81 PolarHBondContact NH1-OG 3.23Å
50G97.1Very high96.3Very high38 Ų3833.9 Ų33.939%0.39219%0.186SC..THydrogen-bonded Turntrans71.39-179.700000114.6P2 V48 S81P2-G50 VanDerWaalsContact CB-O 3.32Å; P2-G50 WeakPolarHBondContact CB-O 3.32Å; V48-G50 PolarHBondContact O-N 2.88Å; G50-S81 PolarHBondContact N-O 3.3Å
51E97.9Very high95.9Very high32 Ų3236.2 Ų36.215%0.1522%0.216CC..  trans-90.7156.5179.6-54.8-67.5-156.100111.9N3 K5 V48 R49 V53 S83N3-E51 VanDerWaalsContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CA-OE2 3.38Å; N3-E51 WeakPolarHBondContact CB-OE2 3.41Å; N3-E51 PolarHBondContact N-OE2 3.17Å; N3-E51 PolarHBondContact ND2-OE1 2.86Å; K5-E51 HydrophobicContact CG-CB 3.91Å; K5-E51 HydrophobicContact CG-CG 4.05Å; V48-E51 WeakPolarHBondContact O-CB 3.4Å; V48-E51 PolarHBondContact O-N 2.88Å; V48-E51 VanDerWaalsContact O-N 3.08Å; R49-E51 PolarHBondContact O-N 3.35Å; E51-V53 HydrophobicContact CB-CG2 4.41Å; E51-S83 WeakPolarHBondContact O-CB 3.47Å; E51-S83 PolarHBondContact O-N 3.37Å
52D98.1Very high95.8Very high3 Ų341.3 Ų41.32%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-92.9103.4171.7-173.728.6000109P2 N3 K5 Y54 R84 H304P2-D52 HydrophobicContact CB-CB 3.89Å; N3-D52 PolarHBondContact O-N 3.25Å; K5-D52 PolarHBondContact N-O 2.73Å; D52-Y54 HydrophobicContact CB-CE2 4.35Å; D52-Y54 VanDerWaalsContact OD2-CE2 3.28Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y54 PolarHBondContact OD2-OH 3.49Å; D52-R84 WeakPolarHBondContact OD1-CB 3.28Å; D52-R84 IonicContact OD1-CZ 2.87Å; D52-R84 IonicContact OD1-NE 3.82Å; D52-R84 PolarHBondContact OD1-NE 2.89Å; D52-R84 IonicContact OD1-NH2 2.74Å; D52-R84 PolarHBondContact OD1-NH2 3.44Å; D52-R84 IonicContact OD2-CZ 2.7Å; D52-R84 IonicContact OD2-NE 2.72Å; D52-R84 IonicContact OD2-NH2 3.39Å; D52-R84 PolarHBondContact OD2-NH2 2.95Å; D52-H304 IonicContact OD2-CE1 2.74Å; D52-H304 IonicContact OD2-CG 3.21Å; D52-H304 IonicContact OD2-ND1 3.55Å; D52-H304 PolarHBondContact OD2-ND1 2.66Å
53V98.5Very high95.8Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-98.1132.2-167.7179.20000110.6K5 F7 V48 E51 I55 C77 R84 S86K5-V53 HydrophobicContact CB-CG2 4.37Å; K5-V53 CarbonylContact O-C 3.58Å; K5-V53 WeakPolarHBondContact O-CA 3.45Å; F7-V53 HydrophobicContact CD2-CG1 3.76Å; F7-V53 HydrophobicContact CE2-CG1 3.92Å; V48-V53 HydrophobicContact CB-CG2 3.91Å; V48-V53 HydrophobicContact CG1-CG2 4.12Å; E51-V53 HydrophobicContact CB-CG2 4.41Å; V53-I55 HydrophobicContact CG1-CD1 4.46Å; V53-I55 HydrophobicContact CG1-CG1 4.04Å; V53-C77 HydrophobicContact CG1-CB 4.31Å; V53-R84 PolarHBondContact N-O 3.49Å; V53-S86 PolarHBondContact O-N 3Å
54Y98.7Very high95.8Very high0 Ų040.5 Ų40.50%024%0.237CC..EExtended strand (participates in β ladder)trans-119.9120.2173.4-62.7-97.2000109.2I4 K5 V6 F7 D52 R84 S86 V88 I125 I300 T303 H304I4-Y54 HydrophobicContact CD1-CD2 4.02Å; I4-Y54 HydrophobicContact CD1-CE2 3.88Å; I4-Y54 HydrophobicContact CG1-CD2 3.82Å; I4-Y54 HydrophobicContact CG1-CE2 3.86Å; K5-Y54 PolarHBondContact O-N 3.27Å; V6-Y54 CarbonylContact C-O 3.56Å; V6-Y54 WeakPolarHBondContact CA-O 3.32Å; F7-Y54 PolarHBondContact N-O 2.66Å; D52-Y54 HydrophobicContact CB-CE2 4.35Å; D52-Y54 VanDerWaalsContact OD2-CE2 3.28Å; D52-Y54 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y54 PolarHBondContact OD2-OH 3.49Å; Y54-R84 PolarHBondContact OH-NH2 3.25Å; Y54-S86 WeakPolarHBondContact CA-O 3.32Å; Y54-S86 VanDerWaalsContact CD1-CB 3.45Å; Y54-V88 HydrophobicContact CD1-CG2 4.04Å; Y54-I125 HydrophobicContact CD1-CD1 4.39Å; Y54-I125 HydrophobicContact CE1-CD1 4.19Å; Y54-I300 HydrophobicContact CD1-CB 4.24Å; Y54-I300 HydrophobicContact CD1-CD1 4.47Å; Y54-I300 HydrophobicContact CD1-CG1 3.79Å; Y54-I300 HydrophobicContact CD1-CG2 3.74Å; Y54-I300 HydrophobicContact CD2-CG2 3.93Å; Y54-I300 HydrophobicContact CE1-CB 4.27Å; Y54-I300 HydrophobicContact CE1-CG1 4.19Å; Y54-I300 HydrophobicContact CE1-CG2 3.78Å; Y54-I300 HydrophobicContact CE2-CG2 3.99Å; Y54-I300 HydrophobicContact CG-CG1 4.38Å; Y54-I300 HydrophobicContact CG-CG2 3.83Å; Y54-T303 HydrophobicContact CE1-CG2 4.25Å; Y54-H304 WeakPolarHBondContact OH-CA 3.16Å; Y54-H304 PolarHBondContact OH-N 2.89Å
55I98.6Very high95.8Very high0 Ų040.9 Ų40.90%024%0.238CC..EExtended strand (participates in β ladder)trans-108115.9178.4-59161.5000108.5F7 V53 L70 M73 I74 V85 S86 V88F7-I55 HydrophobicContact CB-CG1 4.48Å; V53-I55 HydrophobicContact CG1-CD1 4.46Å; V53-I55 HydrophobicContact CG1-CG1 4.04Å; I55-L70 HydrophobicContact CB-CD1 4.11Å; I55-L70 HydrophobicContact CG2-CD1 3.56Å; I55-M73 HydrophobicContact CD1-CB 3.89Å; I55-M73 HydrophobicContact CG2-CB 4.15Å; I55-M73 HydrophobicContact CG2-CE 3.66Å; I55-M73 HydrophobicContact CG2-SD 3.87Å; I55-I74 HydrophobicContact CD1-CB 4.33Å; I55-I74 HydrophobicContact CD1-CG1 3.72Å; I55-V85 HydrophobicContact CD1-CG1 3.79Å; I55-S86 PolarHBondContact N-O 2.88Å; I55-V88 PolarHBondContact O-N 3.41Å
56I98.4Very high95.8Very high3 Ų337.3 Ų37.32%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-93.9117.5-178.8-56.2168000109.1V6 F7 G9 A16 I19 V88V6-I56 HydrophobicContact CG1-CD1 3.41Å; V6-I56 VanDerWaalsContact CG1-CD1 3.41Å; V6-I56 HydrophobicContact CG1-CG1 4.11Å; F7-I56 PolarHBondContact O-N 2.91Å; G9-I56 PolarHBondContact N-O 2.91Å; A16-I56 HydrophobicContact CB-CB 4.04Å; A16-I56 HydrophobicContact CB-CD1 3.94Å; A16-I56 HydrophobicContact CB-CG2 4.03Å; I19-I56 HydrophobicContact CB-CD1 3.94Å; I19-I56 HydrophobicContact CD1-CD1 3.82Å; I19-I56 HydrophobicContact CD1-CG2 4.38Å; I19-I56 HydrophobicContact CG2-CD1 3.73Å; I56-V88 WeakPolarHBondContact CA-O 3.36Å; I56-V88 HydrophobicContact CG1-CB 3.98Å; I56-V88 HydrophobicContact CG1-CG1 4.25Å; I56-V88 HydrophobicContact CG1-CG2 4.44Å
57Q97.2Very high96Very high3 Ų336.2 Ų36.21%0.01422%0.217CC..  trans-151.4137.2175.3-174.685.1-62.900110S11 N66 E69 L70 V88 I89 P90S11-Q57 PolarHBondContact OG-OE1 3.12Å; Q57-N66 HydrophobicContact CG-CB 4.41Å; Q57-N66 PolarHBondContact NE2-O 3.3Å; Q57-E69 PolarHBondContact NE2-OE2 3.39Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 4.01Å; Q57-L70 HydrophobicContact CB-CD2 4.2Å; Q57-L70 HydrophobicContact CB-CG 4.33Å; Q57-L70 HydrophobicContact CG-CB 4.03Å; Q57-V88 PolarHBondContact N-O 3.28Å; Q57-I89 VanDerWaalsContact O-CA 3.27Å; Q57-I89 WeakPolarHBondContact O-CA 3.39Å; Q57-P90 WeakPolarHBondContact O-CD 3.37Å
58T95.5Very high96Very high4 Ų436.5 Ų36.53%0.02521%0.209CC..  trans-109.2148.5178.6-164.60000113S11 N12 G60 C91 T274 L275S11-T58 WeakPolarHBondContact OG-CG2 3.32Å; S11-T58 PolarHBondContact OG-N 2.99Å; N12-T58 HydrophobicContact CB-CG2 3.89Å; T58-G60 PolarHBondContact O-N 2.81Å; T58-G60 VanDerWaalsContact O-N 3.17Å; T58-C91 VanDerWaalsContact OG1-CB 3.31Å; T58-C91 WeakPolarHBondContact OG1-CB 3.47Å; T58-C91 PolarHBondContact OG1-N 2.75Å; T58-T274 VanDerWaalsContact CB-O 3.23Å; T58-T274 WeakPolarHBondContact CB-O 3.46Å; T58-T274 WeakPolarHBondContact CG2-O 3.39Å; T58-T274 PolarHBondContact OG1-O 3.48Å; T58-L275 HydrophobicContact CG2-CD2 3.84Å
59G86.9Confident96Very high12 Ų1236.6 Ų36.612%0.12421%0.21CC..SBendtrans-85.568.6179.500000113.3C91G59-C91 VanDerWaalsContact CA-O 3.27Å; G59-C91 WeakPolarHBondContact CA-O 3.37Å; G59-C91 PolarHBondContact N-O 3.26Å
60G83.5Confident96.1Very high10 Ų1028.9 Ų28.910%0.10318%0.181CC..  trans-149.2-175.6171.900000112.6T58 E62 N66T58-G60 PolarHBondContact O-N 2.81Å; T58-G60 VanDerWaalsContact O-N 3.17Å; G60-E62 PolarHBondContact O-N 2.8Å; G60-N66 PolarHBondContact O-ND2 2.59Å
61G89.8Confident96.1Very high77 Ų7727.9 Ų27.979%0.79417%0.167SC*.SBendtrans61.4-131.5-171.200000111.4V63G61-V63 PolarHBondContact O-N 3.31Å
62E95Very high96.2Very high131 Ų13128.9 Ų28.961%0.61217%0.172SC*.SBendtrans-73.178.2169.6-66.5-58.5154.500110.6G60 N64 D65 N66G60-E62 PolarHBondContact O-N 2.8Å; E62-N64 PolarHBondContact O-N 3.04Å; E62-N64 VanDerWaalsContact O-N 3.13Å; E62-D65 HydrophobicContact CB-CB 4.13Å; E62-D65 WeakPolarHBondContact CB-OD2 3.31Å; E62-D65 PolarHBondContact O-N 3.43Å; E62-D65 VanDerWaalsContact O-N 3.08Å; E62-N66 PolarHBondContact O-N 2.89Å; E62-N66 PolarHBondContact O-ND2 3.37Å
63V96.8Very high96.2Very high39 Ų3928.7 Ų28.724%0.23617%0.171CC..Hα-helixtrans-54.8-36.3-169.865.60000113.7G61 L67 P93 Y94G61-V63 PolarHBondContact O-N 3.31Å; V63-L67 VanDerWaalsContact O-CB 3.24Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 PolarHBondContact O-N 3.26Å; V63-P93 HydrophobicContact CG2-CB 3.74Å; V63-Y94 HydrophobicContact CG1-CE2 4.41Å; V63-Y94 HydrophobicContact CG2-CD2 4.49Å; V63-Y94 HydrophobicContact CG2-CE2 4.02Å
64N97.9Very high96.2Very high89 Ų8928.7 Ų28.748%0.47617%0.171SC..Hα-helixtrans-68.1-45.8179.4-69.3-55.7000111.6E62 L67 M68 Y94E62-N64 PolarHBondContact O-N 3.04Å; E62-N64 VanDerWaalsContact O-N 3.13Å; N64-L67 PolarHBondContact O-N 2.94Å; N64-M68 WeakPolarHBondContact O-CB 3.48Å; N64-M68 WeakPolarHBondContact O-CG 3.48Å; N64-M68 PolarHBondContact O-N 3.12Å; N64-Y94 PolarHBondContact OD1-OH 3.27Å
65D97.1Very high96.2Very high41 Ų4131.2 Ų31.222%0.21919%0.189CC..Hα-helixtrans-67.5-42.4-178.5-61.6-37.1000110.3K34 E62 L67 M68 E69K34-D65 IonicContact NZ-OD1 3.57Å; K34-D65 IonicContact NZ-OD2 2.59Å; K34-D65 PolarHBondContact NZ-OD2 3.22Å; E62-D65 HydrophobicContact CB-CB 4.13Å; E62-D65 WeakPolarHBondContact CB-OD2 3.31Å; E62-D65 PolarHBondContact O-N 3.43Å; E62-D65 VanDerWaalsContact O-N 3.08Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.41Å; D65-M68 PolarHBondContact O-N 3.3Å; D65-E69 WeakPolarHBondContact O-CB 3.41Å; D65-E69 PolarHBondContact O-N 3.04Å
66N97.5Very high96.2Very high14 Ų1432.4 Ų32.48%0.07520%0.199CC..Hα-helixtrans-63.6-39.1176.8-72.2-27.5000112.1S10 Q57 G60 E62 L70S10-N66 PolarHBondContact OG-OD1 3.01Å; Q57-N66 HydrophobicContact CG-CB 4.41Å; Q57-N66 PolarHBondContact NE2-O 3.3Å; G60-N66 PolarHBondContact O-ND2 2.59Å; E62-N66 PolarHBondContact O-N 2.89Å; E62-N66 PolarHBondContact O-ND2 3.37Å; N66-L70 WeakPolarHBondContact O-CB 3.33Å; N66-L70 PolarHBondContact O-N 3.01Å; N66-L70 VanDerWaalsContact O-N 3.11Å
67L98.2Very high96.2Very high12 Ų1232.2 Ų32.26%0.06320%0.198CC..Hα-helixtrans-65.4-47.3173.9176.260000111.3V63 N64 D65 L70 L71 P93 Y94 V112 M115V63-L67 VanDerWaalsContact O-CB 3.24Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 PolarHBondContact O-N 3.26Å; N64-L67 PolarHBondContact O-N 2.94Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.41Å; L67-L70 PolarHBondContact O-N 3.26Å; L67-L71 HydrophobicContact CD1-CD1 4.18Å; L67-L71 HydrophobicContact CD1-CG 4.24Å; L67-L71 HydrophobicContact CG-CD1 4.08Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.14Å; L67-L71 PolarHBondContact O-N 3.36Å; L67-P93 HydrophobicContact CD1-CG 4.2Å; L67-Y94 HydrophobicContact CD2-CE2 4.21Å; L67-V112 HydrophobicContact CD1-CG1 4.16Å; L67-V112 HydrophobicContact CD2-CG2 3.96Å; L67-M115 HydrophobicContact CD2-CE 3.76Å
68M98.2Very high96.2Very high93 Ų9335.8 Ų35.846%0.45821%0.213SC..Hα-helixtrans-62.9-43.4178.6-74.8-56-56.500112N64 D65 L70 L71 I72N64-M68 WeakPolarHBondContact O-CB 3.48Å; N64-M68 WeakPolarHBondContact O-CG 3.48Å; N64-M68 PolarHBondContact O-N 3.12Å; D65-M68 PolarHBondContact O-N 3.3Å; M68-L70 VanDerWaalsContact C-N 3.32Å; M68-L70 PolarHBondContact O-N 3.43Å; M68-L71 PolarHBondContact O-N 3.26Å; M68-L71 HydrophobicContact SD-CD1 4.12Å; M68-I72 WeakPolarHBondContact O-CD1 3.37Å; M68-I72 WeakPolarHBondContact O-CG1 3.22Å; M68-I72 PolarHBondContact O-N 3.13Å
69E98.1Very high96.4Very high3 Ų342 Ų421%0.01425%0.245CC..Hα-helixtrans-56.2-46.8174.5-174.8-178.1-150.500111.3S10 S32 T40 V42 Q57 D65 L71 I72 M73S10-E69 WeakPolarHBondContact CB-OE1 3.23Å; S10-E69 VanDerWaalsContact CB-OE2 3.28Å; S10-E69 WeakPolarHBondContact CB-OE2 3.38Å; S10-E69 PolarHBondContact N-OE1 2.68Å; S10-E69 PolarHBondContact N-OE2 2.8Å; S10-E69 PolarHBondContact OG-OE2 3.2Å; S32-E69 WeakPolarHBondContact CB-OE1 2.88Å; S32-E69 PolarHBondContact OG-OE1 2.78Å; T40-E69 HydrophobicContact CG2-CB 3.91Å; T40-E69 HydrophobicContact CG2-CG 4.1Å; V42-E69 HydrophobicContact CG2-CG 4.16Å; Q57-E69 PolarHBondContact NE2-OE2 3.39Å; D65-E69 WeakPolarHBondContact O-CB 3.41Å; D65-E69 PolarHBondContact O-N 3.04Å; E69-L71 PolarHBondContact O-N 3.27Å; E69-I72 PolarHBondContact O-N 3.31Å; E69-M73 HydrophobicContact CG-SD 4.24Å; E69-M73 VanDerWaalsContact O-CG 3.31Å; E69-M73 WeakPolarHBondContact O-CG 3.39Å; E69-M73 PolarHBondContact O-N 2.92Å
70L98.4Very high96.9Very high3 Ų343.4 Ų43.42%0.01626%0.255CS..Hα-helixtrans-60.3-47.6177.2174.561.3000111.8I55 Q57 N66 L67 M68 I72 M73 I74 A87 I89 L116I55-L70 HydrophobicContact CB-CD1 4.11Å; I55-L70 HydrophobicContact CG2-CD1 3.56Å; Q57-L70 HydrophobicContact CB-CB 4.12Å; Q57-L70 HydrophobicContact CB-CD1 4.01Å; Q57-L70 HydrophobicContact CB-CD2 4.2Å; Q57-L70 HydrophobicContact CB-CG 4.33Å; Q57-L70 HydrophobicContact CG-CB 4.03Å; N66-L70 WeakPolarHBondContact O-CB 3.33Å; N66-L70 PolarHBondContact O-N 3.01Å; N66-L70 VanDerWaalsContact O-N 3.11Å; L67-L70 PolarHBondContact O-N 3.26Å; M68-L70 VanDerWaalsContact C-N 3.32Å; M68-L70 PolarHBondContact O-N 3.43Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 2.73Å; L70-M73 PolarHBondContact O-N 3.1Å; L70-I74 HydrophobicContact CD1-CD1 3.79Å; L70-I74 HydrophobicContact CD1-CG1 4.08Å; L70-I74 HydrophobicContact CG-CD1 3.77Å; L70-I74 HydrophobicContact CG-CG1 4.48Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.43Å; L70-A87 HydrophobicContact CD1-CB 4.42Å; L70-I89 HydrophobicContact CD2-CD1 3.78Å; L70-I89 HydrophobicContact CD2-CG1 3.97Å; L70-L116 HydrophobicContact CD2-CD2 3.74Å; L70-L116 HydrophobicContact CG-CD2 4.16Å
71L98.7Very high97.6Very high17 Ų1745.2 Ų45.29%0.08927%0.266CS..Hα-helixtrans-60.4-41.4179.2-66.9170.3000111.7L67 M68 E69 I74 S75 M115 L116 A119L67-L71 HydrophobicContact CD1-CD1 4.18Å; L67-L71 HydrophobicContact CD1-CG 4.24Å; L67-L71 HydrophobicContact CG-CD1 4.08Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.14Å; L67-L71 PolarHBondContact O-N 3.36Å; M68-L71 PolarHBondContact O-N 3.26Å; M68-L71 HydrophobicContact SD-CD1 4.12Å; E69-L71 PolarHBondContact O-N 3.27Å; L71-I74 PolarHBondContact O-N 3.39Å; L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.03Å; L71-M115 HydrophobicContact CD1-CB 4.02Å; L71-M115 HydrophobicContact CD1-SD 4.29Å; L71-M115 VanDerWaalsContact CD2-C 3.47Å; L71-M115 HydrophobicContact CD2-CB 3.93Å; L71-M115 WeakPolarHBondContact CD2-O 3.36Å; L71-L116 HydrophobicContact CD2-CD2 3.97Å; L71-L116 HydrophobicContact CD2-CG 4.23Å; L71-A119 HydrophobicContact CB-CB 4.43Å; L71-A119 HydrophobicContact CD2-CB 3.81Å
72I98.5Very high98Very high52 Ų5242.2 Ų42.227%0.26723%0.233SC..Hα-helixtrans-66.7-44.2177.6-63.9162.8000110.4T40 V42 M68 E69 L70 I74 S75 A76T40-I72 HydrophobicContact CG2-CD1 4.18Å; V42-I72 HydrophobicContact CB-CG2 3.74Å; V42-I72 HydrophobicContact CG2-CB 4.23Å; V42-I72 HydrophobicContact CG2-CG2 3.86Å; M68-I72 WeakPolarHBondContact O-CD1 3.37Å; M68-I72 WeakPolarHBondContact O-CG1 3.22Å; M68-I72 PolarHBondContact O-N 3.13Å; E69-I72 PolarHBondContact O-N 3.31Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 2.73Å; I72-I74 PolarHBondContact O-N 3.06Å; I72-S75 PolarHBondContact O-N 3.39Å; I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.48Å
73M98.5Very high98.1Very high0 Ų039.4 Ų39.40%023%0.228CC..Hα-helixtrans-60.7-43.8176.4-72.8178.476.200112.3F7 V30 V42 I55 E69 L70 A76 C77F7-M73 HydrophobicContact CB-CE 3.68Å; V30-M73 HydrophobicContact CG1-CE 4.24Å; V30-M73 HydrophobicContact CG2-CE 4.21Å; V42-M73 HydrophobicContact CB-CG 4.44Å; V42-M73 HydrophobicContact CG1-CB 4.44Å; V42-M73 HydrophobicContact CG1-CG 3.5Å; V42-M73 HydrophobicContact CG2-CG 4.14Å; I55-M73 HydrophobicContact CD1-CB 3.89Å; I55-M73 HydrophobicContact CG2-CB 4.15Å; I55-M73 HydrophobicContact CG2-CE 3.66Å; I55-M73 HydrophobicContact CG2-SD 3.87Å; E69-M73 HydrophobicContact CG-SD 4.24Å; E69-M73 VanDerWaalsContact O-CG 3.31Å; E69-M73 WeakPolarHBondContact O-CG 3.39Å; E69-M73 PolarHBondContact O-N 2.92Å; L70-M73 PolarHBondContact O-N 3.1Å; M73-A76 PolarHBondContact O-N 3.18Å; M73-C77 PolarHBondContact O-N 2.94Å; M73-C77 PolarHBondContact O-SG 3.02Å
74I98.7Very high98.1Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-59.9-51.1177-69.2163.4000109.7I55 L70 L71 I72 A76 C77 K78 V85 A87 L116 A119 A121I55-I74 HydrophobicContact CD1-CB 4.33Å; I55-I74 HydrophobicContact CD1-CG1 3.72Å; L70-I74 HydrophobicContact CD1-CD1 3.79Å; L70-I74 HydrophobicContact CD1-CG1 4.08Å; L70-I74 HydrophobicContact CG-CD1 3.77Å; L70-I74 HydrophobicContact CG-CG1 4.48Å; L70-I74 VanDerWaalsContact O-CG1 3.25Å; L70-I74 WeakPolarHBondContact O-CG1 3.45Å; L70-I74 PolarHBondContact O-N 3.43Å; L71-I74 PolarHBondContact O-N 3.39Å; I72-I74 PolarHBondContact O-N 3.06Å; I74-A76 PolarHBondContact O-N 3.4Å; I74-C77 PolarHBondContact O-N 3.2Å; I74-K78 WeakPolarHBondContact O-CB 3.49Å; I74-K78 PolarHBondContact O-N 2.85Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.04Å; I74-A87 HydrophobicContact CD1-CB 4.07Å; I74-L116 HydrophobicContact CD1-CD2 3.67Å; I74-A119 HydrophobicContact CB-CB 4.3Å; I74-A119 HydrophobicContact CG2-CB 3.97Å; I74-A119 WeakPolarHBondContact CG2-O 3.4Å; I74-A121 HydrophobicContact CD1-CB 4.32Å; I74-A121 HydrophobicContact CG2-CB 4.25Å
75S98.6Very high98.2Very high52 Ų5236.8 Ų36.836%0.36421%0.207SC..Hα-helixtrans-59.1-46.2179.6-179.10000111.7L71 I72 C77 K78 I79 A119L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.03Å; I72-S75 PolarHBondContact O-N 3.39Å; S75-C77 VanDerWaalsContact C-N 3.35Å; S75-C77 PolarHBondContact O-N 3.18Å; S75-K78 PolarHBondContact O-N 2.97Å; S75-I79 WeakPolarHBondContact O-CG1 3.43Å; S75-I79 PolarHBondContact O-N 3.47Å; S75-A119 WeakPolarHBondContact CA-O 3.42Å
76A98.4Very high98.3Very high25 Ų2534.9 Ų34.921%0.20720%0.197CC..Hα-helixtrans-57.9-44.8176.900000112.1V44 I72 M73 I74 I79 A80V44-A76 HydrophobicContact CG2-CB 4.16Å; I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.48Å; M73-A76 PolarHBondContact O-N 3.18Å; I74-A76 PolarHBondContact O-N 3.4Å; A76-I79 WeakPolarHBondContact O-CG1 3.36Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 3.25Å
77C98.4Very high98.3Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-68-38.3177.5-65.40000112.3V48 V53 M73 I74 S75 A80 S82 V85V48-C77 HydrophobicContact CG2-CB 4.44Å; V53-C77 HydrophobicContact CG1-CB 4.31Å; M73-C77 PolarHBondContact O-N 2.94Å; M73-C77 PolarHBondContact O-SG 3.02Å; I74-C77 PolarHBondContact O-N 3.2Å; S75-C77 VanDerWaalsContact C-N 3.35Å; S75-C77 PolarHBondContact O-N 3.18Å; C77-A80 PolarHBondContact O-N 3.48Å; C77-S82 VanDerWaalsContact C-OG 3.24Å; C77-S82 WeakPolarHBondContact O-CB 3.42Å; C77-S82 PolarHBondContact O-N 2.87Å; C77-S82 PolarHBondContact O-OG 2.86Å; C77-V85 HydrophobicContact CB-CG2 3.95Å
78K98.2Very high98.3Very high77 Ų7733.6 Ų33.634%0.33519%0.19SC..Hα-helixtrans-64.7-49.8180-166.564.1161.4-171.20111.2I74 S75 A80 S81 V85 D122I74-K78 WeakPolarHBondContact O-CB 3.49Å; I74-K78 PolarHBondContact O-N 2.85Å; S75-K78 PolarHBondContact O-N 2.97Å; K78-A80 VanDerWaalsContact C-N 3.28Å; K78-A80 PolarHBondContact O-N 2.78Å; K78-S81 PolarHBondContact O-N 3.32Å; K78-V85 HydrophobicContact CD-CG2 4.49Å; K78-D122 IonicContact NZ-OD1 2.84Å; K78-D122 PolarHBondContact NZ-OD1 3.27Å; K78-D122 IonicContact NZ-OD2 2.72Å; K78-D122 PolarHBondContact NZ-OD2 3.15Å
79I98.2Very high98.4Very high136 Ų13629.2 Ų29.270%0.69717%0.169SC*.Hα-helixtrans-70.5-25.6179.370.8179.9000112.4S75 A76 S81S75-I79 WeakPolarHBondContact O-CG1 3.43Å; S75-I79 PolarHBondContact O-N 3.47Å; A76-I79 WeakPolarHBondContact O-CG1 3.36Å; I79-S81 PolarHBondContact O-N 3.4Å; I79-S81 VanDerWaalsContact O-N 3.13Å
80A98.1Very high98.4Very high40 Ų4029.1 Ų29.133%0.33117%0.168SC..THydrogen-bonded Turntrans-73.69.6170.200000113.8V48 A76 C77 K78V48-A80 HydrophobicContact CG2-CB 3.58Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 3.25Å; C77-A80 PolarHBondContact O-N 3.48Å; K78-A80 VanDerWaalsContact C-N 3.28Å; K78-A80 PolarHBondContact O-N 2.78Å
81S97.6Very high98.4Very high49 Ų4929.2 Ų29.234%0.34317%0.169SC..THydrogen-bonded Turntrans66.736.5174.6-45.60000114.4R49 G50 K78 I79R49-S81 CarbonylContact C-O 3.53Å; R49-S81 WeakPolarHBondContact CA-O 3.39Å; R49-S81 PolarHBondContact NH1-OG 3.23Å; G50-S81 PolarHBondContact N-O 3.3Å; K78-S81 PolarHBondContact O-N 3.32Å; I79-S81 PolarHBondContact O-N 3.4Å; I79-S81 VanDerWaalsContact O-N 3.13Å
82S97.8Very high98.4Very high13 Ų1328.8 Ų28.89%0.09117%0.166CC..  trans-58.2148.3165.8530000111.8V48 C77 V85V48-S82 WeakPolarHBondContact O-CA 3.39Å; C77-S82 VanDerWaalsContact C-OG 3.24Å; C77-S82 WeakPolarHBondContact O-CB 3.42Å; C77-S82 PolarHBondContact O-N 2.87Å; C77-S82 PolarHBondContact O-OG 2.86Å; S82-V85 WeakPolarHBondContact OG-CG2 3.32Å
83S97.6Very high98.4Very high73 Ų7326.5 Ų26.551%0.5116%0.155SC..SBendtrans-70.9-39.3178.4-176.50000111.2E51E51-S83 WeakPolarHBondContact O-CB 3.47Å; E51-S83 PolarHBondContact O-N 3.37Å
84R98.2Very high98.3Very high73 Ų7329.4 Ų29.428%0.27517%0.167SC..EExtended strand (participates in β ladder)trans-154.8141.5-179.6-177.6170.464.1176.7-0.2109D52 V53 Y54 D122 T303D52-R84 WeakPolarHBondContact OD1-CB 3.28Å; D52-R84 IonicContact OD1-CZ 2.87Å; D52-R84 IonicContact OD1-NE 3.82Å; D52-R84 PolarHBondContact OD1-NE 2.89Å; D52-R84 IonicContact OD1-NH2 2.74Å; D52-R84 PolarHBondContact OD1-NH2 3.44Å; D52-R84 IonicContact OD2-CZ 2.7Å; D52-R84 IonicContact OD2-NE 2.72Å; D52-R84 IonicContact OD2-NH2 3.39Å; D52-R84 PolarHBondContact OD2-NH2 2.95Å; V53-R84 PolarHBondContact N-O 3.49Å; Y54-R84 PolarHBondContact OH-NH2 3.25Å; R84-D122 WeakPolarHBondContact CA-OD2 3.39Å; R84-D122 HydrophobicContact CG-CB 3.78Å; R84-T303 PolarHBondContact NH2-O 2.83Å
85V98.6Very high98.3Very high0 Ų029.6 Ų29.60%017%0.168CC..EExtended strand (participates in β ladder)trans-119.2111.7173.8-172.40000109.9I55 I74 C77 K78 S82 D122 H123I55-V85 HydrophobicContact CD1-CG1 3.79Å; I74-V85 HydrophobicContact CB-CG1 4.33Å; I74-V85 HydrophobicContact CG1-CG1 4.13Å; I74-V85 HydrophobicContact CG2-CG1 4.04Å; C77-V85 HydrophobicContact CB-CG2 3.95Å; K78-V85 HydrophobicContact CD-CG2 4.49Å; S82-V85 WeakPolarHBondContact OG-CG2 3.32Å; V85-D122 PolarHBondContact N-OD2 2.7Å; V85-D122 PolarHBondContact O-N 3.24Å; V85-H123 PolarHBondContact O-N 3.16Å
86S98.7Very high98.1Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-99124.5173.9-59.40000110.2V53 Y54 I55 H123V53-S86 PolarHBondContact O-N 3Å; Y54-S86 WeakPolarHBondContact CA-O 3.32Å; Y54-S86 VanDerWaalsContact CD1-CB 3.45Å; I55-S86 PolarHBondContact N-O 2.88Å; S86-H123 CarbonylContact C-O 3.5Å; S86-H123 VanDerWaalsContact CA-O 3.32Å; S86-H123 WeakPolarHBondContact CA-O 3.37Å
87A98.8Very high98Very high0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-88.7118.4170.700000109.3L70 I74 I89 H123 I124 I125L70-A87 HydrophobicContact CD1-CB 4.42Å; I74-A87 HydrophobicContact CD1-CB 4.07Å; A87-I89 HydrophobicContact CB-CD1 3.99Å; A87-I89 HydrophobicContact CB-CG1 4.02Å; A87-H123 PolarHBondContact N-O 3.41Å; A87-I124 HydrophobicContact CB-CD1 3.8Å; A87-I124 WeakPolarHBondContact O-CA 3.45Å; A87-I125 PolarHBondContact O-N 3.45Å
88V98.8Very high98Very high0 Ų035.8 Ų35.80%018%0.183CC..EExtended strand (participates in β ladder)trans-99.7105.6176.3-176.40000107.4Y54 I55 I56 Q57 P90 I125 L296 I300Y54-V88 HydrophobicContact CD1-CG2 4.04Å; I55-V88 PolarHBondContact O-N 3.41Å; I56-V88 WeakPolarHBondContact CA-O 3.36Å; I56-V88 HydrophobicContact CG1-CB 3.98Å; I56-V88 HydrophobicContact CG1-CG1 4.25Å; I56-V88 HydrophobicContact CG1-CG2 4.44Å; Q57-V88 PolarHBondContact N-O 3.28Å; V88-P90 WeakPolarHBondContact O-CD 3.24Å; V88-I125 CarbonylContact C-O 3.58Å; V88-I125 WeakPolarHBondContact CA-O 3.3Å; V88-I125 HydrophobicContact CG1-CB 4.41Å; V88-I125 HydrophobicContact CG1-CG2 4.49Å; V88-I125 HydrophobicContact CG2-CB 4.27Å; V88-I125 HydrophobicContact CG2-CD1 4.31Å; V88-L296 HydrophobicContact CG1-CD2 4.12Å; V88-I300 HydrophobicContact CG1-CD1 4.49Å; V88-I300 HydrophobicContact CG2-CD1 4.02Å; V88-I300 HydrophobicContact CG2-CG1 4.1Å
89I98.7Very high97.9Very high1 Ų137.2 Ų37.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-121.283-170-46.1175.9000110.3Q57 L70 A87 C91 F92 L116 I124 I125 T126Q57-I89 VanDerWaalsContact O-CA 3.27Å; Q57-I89 WeakPolarHBondContact O-CA 3.39Å; L70-I89 HydrophobicContact CD2-CD1 3.78Å; L70-I89 HydrophobicContact CD2-CG1 3.97Å; A87-I89 HydrophobicContact CB-CD1 3.99Å; A87-I89 HydrophobicContact CB-CG1 4.02Å; I89-C91 WeakPolarHBondContact CG2-O 3.48Å; I89-C91 PolarHBondContact O-N 3.42Å; I89-F92 HydrophobicContact CD1-CD2 4.32Å; I89-F92 HydrophobicContact CD1-CE2 4.23Å; I89-F92 HydrophobicContact CG2-CD2 4.31Å; I89-L116 HydrophobicContact CD1-CD1 3.66Å; I89-L116 HydrophobicContact CD1-CD2 4.13Å; I89-I124 HydrophobicContact CD1-CG2 4.49Å; I89-I125 PolarHBondContact N-O 2.81Å; I89-T126 VanDerWaalsContact O-CA 3.31Å; I89-T126 WeakPolarHBondContact O-CA 3.42Å; I89-T126 VanDerWaalsContact O-CB 3.27Å; I89-T126 WeakPolarHBondContact O-CB 3.48Å; I89-T126 PolarHBondContact O-OG1 3.34Å
90P98.5Very high97.7Very high1 Ų136.9 Ų36.91%0.00618%0.183CC..SBendtrans-57-42.4-173.8-27.235.2000114.3L15 Q57 V88 H250 T274 L296L15-P90 HydrophobicContact CD2-CB 4.12Å; L15-P90 HydrophobicContact CD2-CG 3.63Å; Q57-P90 WeakPolarHBondContact O-CD 3.37Å; V88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-H250 PolarHBondContact O-CE1 3.02Å; P90-T274 HydrophobicContact CB-CG2 3.8Å; P90-L296 HydrophobicContact CB-CD1 4.25Å; P90-L296 HydrophobicContact CG-CD1 3.94Å
91C98.4Very high97.2Very high4 Ų440.3 Ų40.33%0.02720%0.196CC..SBendtrans-115.6114.2169177.40000108.6T58 G59 I89 H250 L275T58-C91 VanDerWaalsContact OG1-CB 3.31Å; T58-C91 WeakPolarHBondContact OG1-CB 3.47Å; T58-C91 PolarHBondContact OG1-N 2.75Å; G59-C91 VanDerWaalsContact CA-O 3.27Å; G59-C91 WeakPolarHBondContact CA-O 3.37Å; G59-C91 PolarHBondContact N-O 3.26Å; I89-C91 WeakPolarHBondContact CG2-O 3.48Å; I89-C91 PolarHBondContact O-N 3.42Å; C91-H250 HydrophobicContact CB-CB 4.48Å; C91-L275 HydrophobicContact CB-CD1 4.35Å; C91-L275 HydrophobicContact CB-CD2 4.34Å; C91-L275 HydrophobicContact CB-CG 4.13Å
92F98.6Very high96.6Very high8 Ų848.7 Ų48.74%0.03523%0.226CC..  trans-72.9125.4-174.1-166.4-90.9000112.1I89 A95 V112 L116 L129 I134 F138I89-F92 HydrophobicContact CD1-CD2 4.32Å; I89-F92 HydrophobicContact CD1-CE2 4.23Å; I89-F92 HydrophobicContact CG2-CD2 4.31Å; F92-A95 HydrophobicContact CB-CB 4.32Å; F92-A95 HydrophobicContact CD1-CB 4.25Å; F92-A95 WeakPolarHBondContact O-CB 3.27Å; F92-A95 PolarHBondContact O-N 3.03Å; F92-V112 HydrophobicContact CE1-CB 4.26Å; F92-V112 HydrophobicContact CE1-CG1 3.78Å; F92-V112 HydrophobicContact CE2-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CB 4.34Å; F92-V112 HydrophobicContact CZ-CG1 3.59Å; F92-L116 HydrophobicContact CE2-CD1 3.94Å; F92-L116 HydrophobicContact CZ-CD1 4.16Å; F92-L129 HydrophobicContact CB-CD2 3.57Å; F92-L129 HydrophobicContact CD1-CD2 4.29Å; F92-L129 HydrophobicContact CD2-CD2 4.2Å; F92-L129 HydrophobicContact CG-CD2 3.76Å; F92-I134 HydrophobicContact CD1-CG2 4.38Å; F92-I134 HydrophobicContact CE1-CG2 4.13Å; F92-I134 HydrophobicContact CZ-CG2 4.4Å; F92-F138 AromaticContact CE2-CE2 4Å; F92-F138 HydrophobicContact CE2-CE2 4Å; F92-F138 AromaticContact CE2-CZ 3.7Å; F92-F138 HydrophobicContact CE2-CZ 3.7Å; F92-F138 AromaticContact CZ-CE2 3.91Å; F92-F138 HydrophobicContact CZ-CE2 3.91Å; F92-F138 AromaticContact CZ-CZ 3.67Å; F92-F138 HydrophobicContact CZ-CZ 3.67Å
93P98.3Very high96.2Very high5 Ų551.6 Ų51.63%0.03225%0.246CC..THydrogen-bonded Turntrans-68.5143.5-176.527.7-32.2000110.9V63 L67 A95 V112V63-P93 HydrophobicContact CG2-CB 3.74Å; L67-P93 HydrophobicContact CD1-CG 4.2Å; P93-A95 PolarHBondContact O-N 2.78Å; P93-V112 HydrophobicContact CG-CG1 3.96Å
94Y98.1Very high96Very high61 Ų6160.2 Ų60.224%0.23927%0.268CS..THydrogen-bonded Turntrans61.215.5-179-61.8-91.3000115.9V63 N64 L67 R96 Q97 V112V63-Y94 HydrophobicContact CG1-CE2 4.41Å; V63-Y94 HydrophobicContact CG2-CD2 4.49Å; V63-Y94 HydrophobicContact CG2-CE2 4.02Å; N64-Y94 PolarHBondContact OD1-OH 3.27Å; L67-Y94 HydrophobicContact CD2-CE2 4.21Å; Y94-R96 PolarHBondContact O-N 3.12Å; Y94-R96 VanDerWaalsContact O-N 3.12Å; Y94-Q97 WeakPolarHBondContact O-CB 3.23Å; Y94-Q97 PolarHBondContact O-N 3.25Å; Y94-V112 HydrophobicContact CD2-CG2 3.67Å; Y94-V112 HydrophobicContact CG-CG2 4.15Å
95A97.7Very high95.9Very high4 Ų458.5 Ų58.53%0.03327%0.269CS..THydrogen-bonded Turntrans-57.3-30.8-17500000114.8F92 P93 Q97 H130 I134 M222F92-A95 HydrophobicContact CB-CB 4.32Å; F92-A95 HydrophobicContact CD1-CB 4.25Å; F92-A95 WeakPolarHBondContact O-CB 3.27Å; F92-A95 PolarHBondContact O-N 3.03Å; P93-A95 PolarHBondContact O-N 2.78Å; A95-Q97 PolarHBondContact O-N 3Å; A95-H130 HydrophobicContact CB-CB 3.74Å; A95-I134 HydrophobicContact CB-CD1 3.91Å; A95-M222 HydrophobicContact CB-CE 4.5Å
96R95.2Very high95.8Very high104 Ų10462.3 Ų62.339%0.39229%0.294SS..THydrogen-bonded Turntrans-69.9-9.4174.5-65.1-176.5-176.3156.51.9114.4Y94 M222 D224Y94-R96 PolarHBondContact O-N 3.12Å; Y94-R96 VanDerWaalsContact O-N 3.12Å; R96-M222 HydrophobicContact CG-SD 3.75Å; R96-M222 VanDerWaalsContact CZ-SD 3.56Å; R96-M222 PolarHBondContact NE-SD 3.1Å; R96-M222 VanDerWaalsContact NH2-CG 3.3Å; R96-M222 PolarHBondContact NH2-O 3.33Å; R96-M222 PolarHBondContact NH2-SD 2.88Å; R96-D224 IonicContact NH1-OD2 3.74Å; R96-D224 PolarHBondContact NH1-OD2 3Å
97Q96.8Very high95.8Very high81 Ų8165.1 Ų65.138%0.37931%0.308SS..  trans-10651.5-179.8-60.4-177.436.100110.1Y94 A95 I107 S108 A109Y94-Q97 WeakPolarHBondContact O-CB 3.23Å; Y94-Q97 PolarHBondContact O-N 3.25Å; A95-Q97 PolarHBondContact O-N 3Å; Q97-I107 CarbonylContact O-C 3.56Å; Q97-I107 WeakPolarHBondContact O-CA 3.06Å; Q97-S108 PolarHBondContact O-N 3.38Å; Q97-S108 PolarHBondContact OE1-OG 3Å; Q97-A109 PolarHBondContact O-N 3.48Å; Q97-A109 VanDerWaalsContact O-N 3.07Å
98D96.8Very high95.8Very high22 Ų2265.8 Ų65.812%0.11831%0.313CS..SBendtrans-92-7.8-175.567.6-43.2000113.8I107 A109 A131 I134 F137D98-I107 WeakPolarHBondContact O-CG2 3.24Å; D98-A109 HydrophobicContact CB-CB 4.46Å; D98-A131 HydrophobicContact CB-CB 4.44Å; D98-A131 VanDerWaalsContact OD2-CB 3.23Å; D98-A131 WeakPolarHBondContact OD2-CB 2.94Å; D98-I134 HydrophobicContact CB-CD1 4.35Å; D98-I134 HydrophobicContact CB-CG1 4.18Å; D98-F137 HydrophobicContact CB-CE2 4.26Å; D98-F137 HydrophobicContact CB-CZ 4.37Å; D98-F137 WeakPolarHBondContact O-CZ 3.34Å
99K95.6Very high95.8Very high107 Ų10765.8 Ų65.847%0.46531%0.313SS..SBendtrans-151.8164.8-17761.3-167.6166.9-174.20112D101K99-D101 WeakPolarHBondContact CD-OD1 3.18Å; K99-D101 WeakPolarHBondContact CE-OD1 3.34Å; K99-D101 WeakPolarHBondContact CE-OD2 3.1Å; K99-D101 WeakPolarHBondContact CG-OD1 3.44Å; K99-D101 IonicContact NZ-OD1 3.82Å
100K94.2Very high95.7Very high128 Ų12868.9 Ų68.956%0.55733%0.326SS*.  trans-77.7-18.9-179-70.9-169.6174.8-179.70115K102 S103 I107K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 2.93Å; K100-S103 WeakPolarHBondContact O-CB 3.45Å; K100-S103 PolarHBondContact O-N 3.11Å; K100-I107 HydrophobicContact CG-CD1 4.25Å; K100-I107 HydrophobicContact CG-CG1 4.09Å
101D88Confident95.8Very high112 Ų11273.5 Ų73.560%0.59935%0.35SS*.THydrogen-bonded Turntrans43.650.4-177.1-79.2-21.8000115.3K99 S103K99-D101 WeakPolarHBondContact CD-OD1 3.18Å; K99-D101 WeakPolarHBondContact CE-OD1 3.34Å; K99-D101 WeakPolarHBondContact CE-OD2 3.1Å; K99-D101 WeakPolarHBondContact CG-OD1 3.44Å; K99-D101 IonicContact NZ-OD1 3.82Å; D101-S103 PolarHBondContact O-N 3.4Å; D101-S103 VanDerWaalsContact O-N 3.09Å
102K86.2Confident95.8Very high226 Ų22673.4 Ų73.498%0.98335%0.35SS*.THydrogen-bonded Turntrans56.922.2-178.7-56.3-179.3-180177.60114.2K100K100-K102 VanDerWaalsContact C-N 3.34Å; K100-K102 PolarHBondContact O-N 2.93Å
103S89.4Confident95.8Very high74 Ų7473 Ų7352%0.51735%0.348SS..THydrogen-bonded Turntrans-120170.3178.8-170.70000111.5K100 D101 A105K100-S103 WeakPolarHBondContact O-CB 3.45Å; K100-S103 PolarHBondContact O-N 3.11Å; D101-S103 PolarHBondContact O-N 3.4Å; D101-S103 VanDerWaalsContact O-N 3.09Å; S103-A105 PolarHBondContact O-N 2.88Å; S103-A105 VanDerWaalsContact O-N 3.13Å
104R93.6Very high95.8Very high254 Ų25476.4 Ų76.496%0.95837%0.366SS*.THydrogen-bonded Turntrans-83.145.5166.5-69.1-174.9-71.5-108.6-0.6110.5
105A95.1Very high95.8Very high36 Ų3676.1 Ų76.130%0.29837%0.367SS..  trans-87.7152.3-179.100000111.3S103S103-A105 PolarHBondContact O-N 2.88Å; S103-A105 VanDerWaalsContact O-N 3.13Å
106P96.8Very high95.9Very high81 Ų8175.9 Ų75.953%0.52637%0.366SS..  trans-68.5158.5168.131.7-35.7000111.1S108P106-S108 WeakPolarHBondContact CG-OG 3.05Å
107I98.1Very high96.1Very high59 Ų5972.8 Ų72.830%0.30336%0.36SS..  trans-100.676.3162.9-56.1178.1000106.5Q97 D98 K100 A109 K110 L111 F137Q97-I107 CarbonylContact O-C 3.56Å; Q97-I107 WeakPolarHBondContact O-CA 3.06Å; D98-I107 WeakPolarHBondContact O-CG2 3.24Å; K100-I107 HydrophobicContact CG-CD1 4.25Å; K100-I107 HydrophobicContact CG-CG1 4.09Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 3.49Å; I107-K110 HydrophobicContact CB-CB 4.21Å; I107-K110 HydrophobicContact CG2-CB 3.65Å; I107-K110 WeakPolarHBondContact O-CB 3.4Å; I107-K110 PolarHBondContact O-N 3.1Å; I107-L111 PolarHBondContact O-N 3.12Å; I107-L111 VanDerWaalsContact O-N 3.14Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 4Å
108S98.4Very high96.1Very high14 Ų1475 Ų7510%0.09838%0.379CS..Hα-helixtrans-64.1-30.6-170.9-52.80000112.4Q97 P106 K110 L111 V112Q97-S108 PolarHBondContact O-N 3.38Å; Q97-S108 PolarHBondContact OE1-OG 3Å; P106-S108 WeakPolarHBondContact CG-OG 3.05Å; S108-K110 VanDerWaalsContact C-N 3.29Å; S108-K110 PolarHBondContact O-N 3.44Å; S108-L111 WeakPolarHBondContact O-CB 3.38Å; S108-L111 PolarHBondContact O-N 2.68Å; S108-L111 VanDerWaalsContact O-N 3.15Å; S108-V112 WeakPolarHBondContact O-CG2 3.46Å; S108-V112 PolarHBondContact O-N 3.47Å
109A98.4Very high96.2Very high0 Ų074.9 Ų74.90%038%0.38CS..Hα-helixtrans-60.9-37.6172.700000112.3Q97 D98 I107 V112 A113 I134 F137Q97-A109 PolarHBondContact O-N 3.48Å; Q97-A109 VanDerWaalsContact O-N 3.07Å; D98-A109 HydrophobicContact CB-CB 4.46Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 3.49Å; A109-V112 PolarHBondContact O-N 3.03Å; A109-A113 PolarHBondContact O-N 3.48Å; A109-I134 HydrophobicContact CB-CD1 4.45Å; A109-I134 HydrophobicContact CB-CG1 4.46Å; A109-F137 HydrophobicContact CB-CD2 4.13Å; A109-F137 HydrophobicContact CB-CE2 3.83Å
110K98.6Very high96.4Very high65 Ų6570.4 Ų70.428%0.28337%0.365SS..Hα-helixtrans-69.8-38173.8176.763.7177.3-174.10111.5I107 S108 A113 N114 F137I107-K110 HydrophobicContact CB-CB 4.21Å; I107-K110 HydrophobicContact CG2-CB 3.65Å; I107-K110 WeakPolarHBondContact O-CB 3.4Å; I107-K110 PolarHBondContact O-N 3.1Å; S108-K110 VanDerWaalsContact C-N 3.29Å; S108-K110 PolarHBondContact O-N 3.44Å; K110-A113 PolarHBondContact O-N 3.09Å; K110-N114 VanDerWaalsContact CE-OD1 3.24Å; K110-N114 WeakPolarHBondContact CE-OD1 3.35Å; K110-N114 PolarHBondContact O-N 2.84Å; K110-N114 PolarHBondContact O-OD1 2.95Å; K110-F137 HydrophobicContact CB-CD1 4.49Å; K110-F137 HydrophobicContact CB-CD2 3.87Å; K110-F137 HydrophobicContact CB-CE2 4.14Å; K110-F137 HydrophobicContact CB-CG 4.08Å; K110-F137 HydrophobicContact CD-CB 3.66Å; K110-F137 HydrophobicContact CD-CD1 4.09Å; K110-F137 HydrophobicContact CD-CD2 4.47Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 PolarHBondContact NZ-O 2.89Å
111L98.7Very high96.6Very high98 Ų9864.5 Ų64.551%0.51334%0.34SS..Hα-helixtrans-60.4-46.4173.6176.462.3000111I107 S108 A113 N114 M115I107-L111 PolarHBondContact O-N 3.12Å; I107-L111 VanDerWaalsContact O-N 3.14Å; S108-L111 WeakPolarHBondContact O-CB 3.38Å; S108-L111 PolarHBondContact O-N 2.68Å; S108-L111 VanDerWaalsContact O-N 3.15Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 2.87Å; L111-N114 PolarHBondContact O-N 2.74Å; L111-M115 HydrophobicContact CD1-CG 4.38Å; L111-M115 HydrophobicContact CG-CE 4.13Å; L111-M115 HydrophobicContact CG-SD 4.44Å; L111-M115 WeakPolarHBondContact O-CG 3.41Å; L111-M115 PolarHBondContact O-N 2.89Å
112V98.7Very high97.1Very high3 Ų361.7 Ų61.72%0.01833%0.325CS..Hα-helixtrans-58-46.7174.5170.60000111.2L67 F92 P93 Y94 S108 A109 N114 M115 L116L67-V112 HydrophobicContact CD1-CG1 4.16Å; L67-V112 HydrophobicContact CD2-CG2 3.96Å; F92-V112 HydrophobicContact CE1-CB 4.26Å; F92-V112 HydrophobicContact CE1-CG1 3.78Å; F92-V112 HydrophobicContact CE2-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CB 4.34Å; F92-V112 HydrophobicContact CZ-CG1 3.59Å; P93-V112 HydrophobicContact CG-CG1 3.96Å; Y94-V112 HydrophobicContact CD2-CG2 3.67Å; Y94-V112 HydrophobicContact CG-CG2 4.15Å; S108-V112 WeakPolarHBondContact O-CG2 3.46Å; S108-V112 PolarHBondContact O-N 3.47Å; A109-V112 PolarHBondContact O-N 3.03Å; V112-N114 VanDerWaalsContact C-N 3.32Å; V112-N114 PolarHBondContact O-N 3.35Å; V112-M115 HydrophobicContact CG2-CE 4.12Å; V112-M115 PolarHBondContact O-N 2.86Å; V112-M115 VanDerWaalsContact O-N 3.17Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 WeakPolarHBondContact O-CG 3.18Å; V112-L116 PolarHBondContact O-N 3.47Å
113A98.8Very high97.7Very high0 Ų051.5 Ų51.50%028%0.28CS..Hα-helixtrans-58.3-43.9177.200000112.3A109 K110 L111 L116 S117 F137 F138A109-A113 PolarHBondContact O-N 3.48Å; K110-A113 PolarHBondContact O-N 3.09Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 2.87Å; A113-L116 PolarHBondContact O-N 2.83Å; A113-S117 WeakPolarHBondContact O-CB 3.29Å; A113-S117 PolarHBondContact O-N 2.84Å; A113-S117 PolarHBondContact O-OG 2.86Å; A113-F137 HydrophobicContact CB-CB 3.73Å; A113-F138 VanDerWaalsContact CA-CE1 3.44Å; A113-F138 VanDerWaalsContact CA-CZ 3.44Å; A113-F138 HydrophobicContact CB-CD1 3.96Å; A113-F138 HydrophobicContact CB-CD2 3.91Å; A113-F138 HydrophobicContact CB-CE1 3.61Å; A113-F138 HydrophobicContact CB-CE2 3.54Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.4Å
114N98.8Very high98.1Very high76 Ų7648 Ų4841%0.40626%0.256SS..Hα-helixtrans-64-41176.1-68.2-7.7000111.9K110 L111 V112 S117 V118K110-N114 VanDerWaalsContact CE-OD1 3.24Å; K110-N114 WeakPolarHBondContact CE-OD1 3.35Å; K110-N114 PolarHBondContact O-N 2.84Å; K110-N114 PolarHBondContact O-OD1 2.95Å; L111-N114 PolarHBondContact O-N 2.74Å; V112-N114 VanDerWaalsContact C-N 3.32Å; V112-N114 PolarHBondContact O-N 3.35Å; N114-S117 PolarHBondContact O-N 2.9Å; N114-V118 WeakPolarHBondContact O-CG1 3.37Å; N114-V118 PolarHBondContact O-N 3.17Å
115M98.8Very high98.4Very high54 Ų5435.9 Ų35.927%0.26621%0.21SC..Hα-helixtrans-64.2-44.5178-71.8-172.3-60.100111.8L67 L71 L111 V112 S117 V118 A119L67-M115 HydrophobicContact CD2-CE 3.76Å; L71-M115 HydrophobicContact CD1-CB 4.02Å; L71-M115 HydrophobicContact CD1-SD 4.29Å; L71-M115 VanDerWaalsContact CD2-C 3.47Å; L71-M115 HydrophobicContact CD2-CB 3.93Å; L71-M115 WeakPolarHBondContact CD2-O 3.36Å; L111-M115 HydrophobicContact CD1-CG 4.38Å; L111-M115 HydrophobicContact CG-CE 4.13Å; L111-M115 HydrophobicContact CG-SD 4.44Å; L111-M115 WeakPolarHBondContact O-CG 3.41Å; L111-M115 PolarHBondContact O-N 2.89Å; V112-M115 HydrophobicContact CG2-CE 4.12Å; V112-M115 PolarHBondContact O-N 2.86Å; V112-M115 VanDerWaalsContact O-N 3.17Å; M115-S117 VanDerWaalsContact C-N 3.33Å; M115-S117 PolarHBondContact O-N 2.74Å; M115-V118 WeakPolarHBondContact O-CG1 3.47Å; M115-V118 PolarHBondContact O-N 3.05Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.45Å; M115-A119 PolarHBondContact O-N 2.8Å
116L98.8Very high98.5Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-61.4-42.8175.3-73.1165000111.6L70 L71 I74 I89 F92 V112 A113 A119 G120 A121 I124 F138L70-L116 HydrophobicContact CD2-CD2 3.74Å; L70-L116 HydrophobicContact CG-CD2 4.16Å; L71-L116 HydrophobicContact CD2-CD2 3.97Å; L71-L116 HydrophobicContact CD2-CG 4.23Å; I74-L116 HydrophobicContact CD1-CD2 3.67Å; I89-L116 HydrophobicContact CD1-CD1 3.66Å; I89-L116 HydrophobicContact CD1-CD2 4.13Å; F92-L116 HydrophobicContact CE2-CD1 3.94Å; F92-L116 HydrophobicContact CZ-CD1 4.16Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 WeakPolarHBondContact O-CG 3.18Å; V112-L116 PolarHBondContact O-N 3.47Å; A113-L116 PolarHBondContact O-N 2.83Å; L116-A119 PolarHBondContact O-N 2.83Å; L116-G120 PolarHBondContact O-N 3.46Å; L116-A121 WeakPolarHBondContact O-CB 3.38Å; L116-A121 PolarHBondContact O-N 3.29Å; L116-A121 VanDerWaalsContact O-N 3.17Å; L116-I124 HydrophobicContact CD1-CD1 4.31Å; L116-F138 HydrophobicContact CB-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CZ 3.96Å
117S98.5Very high98.6Very high39 Ų3930.3 Ų30.327%0.27317%0.171SC..Hα-helixtrans-63.4-47.9178.7-55.30000111.5A113 N114 M115 A119 G120A113-S117 WeakPolarHBondContact O-CB 3.29Å; A113-S117 PolarHBondContact O-N 2.84Å; A113-S117 PolarHBondContact O-OG 2.86Å; N114-S117 PolarHBondContact O-N 2.9Å; M115-S117 VanDerWaalsContact C-N 3.33Å; M115-S117 PolarHBondContact O-N 2.74Å; S117-A119 PolarHBondContact O-N 3.42Å; S117-G120 PolarHBondContact O-N 2.98Å; S117-G120 VanDerWaalsContact O-N 3.15Å
118V98.6Very high98.6Very high128 Ų12828.3 Ų28.378%0.77616%0.161SC*.Hα-helixtrans-72.9-27.2-179.177.10000113N114 M115 G120N114-V118 WeakPolarHBondContact O-CG1 3.37Å; N114-V118 PolarHBondContact O-N 3.17Å; M115-V118 WeakPolarHBondContact O-CG1 3.47Å; M115-V118 PolarHBondContact O-N 3.05Å; V118-G120 PolarHBondContact O-N 3.46Å
119A98.6Very high98.5Very high18 Ų1828.3 Ų28.315%0.14916%0.16CC..Hα-helixtrans-64.7-21.1171.600000112.4L71 I74 S75 M115 L116 S117L71-A119 HydrophobicContact CB-CB 4.43Å; L71-A119 HydrophobicContact CD2-CB 3.81Å; I74-A119 HydrophobicContact CB-CB 4.3Å; I74-A119 HydrophobicContact CG2-CB 3.97Å; I74-A119 WeakPolarHBondContact CG2-O 3.4Å; S75-A119 WeakPolarHBondContact CA-O 3.42Å; M115-A119 VanDerWaalsContact O-CB 3.28Å; M115-A119 WeakPolarHBondContact O-CB 3.45Å; M115-A119 PolarHBondContact O-N 2.8Å; L116-A119 PolarHBondContact O-N 2.83Å; S117-A119 PolarHBondContact O-N 3.42Å
120G98.5Very high98.4Very high13 Ų1331.1 Ų31.113%0.13417%0.173CC..THydrogen-bonded Turntrans109.221174.500000114.8L116 S117 V118L116-G120 PolarHBondContact O-N 3.46Å; S117-G120 PolarHBondContact O-N 2.98Å; S117-G120 VanDerWaalsContact O-N 3.15Å; V118-G120 PolarHBondContact O-N 3.46Å
121A98.7Very high98.2Very high4 Ų428.5 Ų28.53%0.03316%0.163CC..  trans-65.6132.8169.800000110I74 L116 I124 I140I74-A121 HydrophobicContact CD1-CB 4.32Å; I74-A121 HydrophobicContact CG2-CB 4.25Å; L116-A121 WeakPolarHBondContact O-CB 3.38Å; L116-A121 PolarHBondContact O-N 3.29Å; L116-A121 VanDerWaalsContact O-N 3.17Å; A121-I124 HydrophobicContact CB-CD1 4.21Å; A121-I140 HydrophobicContact CB-CD1 4.12Å; A121-I140 WeakPolarHBondContact O-CD1 3.27Å
122D98.6Very high98Very high53 Ų5327 Ų2728%0.28316%0.161SC..  trans-100.5-17.1178.4-59.9-67.7000111.8K78 R84 V85K78-D122 IonicContact NZ-OD1 2.84Å; K78-D122 PolarHBondContact NZ-OD1 3.27Å; K78-D122 IonicContact NZ-OD2 2.72Å; K78-D122 PolarHBondContact NZ-OD2 3.15Å; R84-D122 WeakPolarHBondContact CA-OD2 3.39Å; R84-D122 HydrophobicContact CG-CB 3.78Å; V85-D122 PolarHBondContact N-OD2 2.7Å; V85-D122 PolarHBondContact O-N 3.24Å
123H98.7Very high97.9Very high12 Ų1232.7 Ų32.76%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-156.5147.4-176.3-175.8-123.6000111.3V85 S86 A87 I125 P141 D143V85-H123 PolarHBondContact O-N 3.16Å; S86-H123 CarbonylContact C-O 3.5Å; S86-H123 VanDerWaalsContact CA-O 3.32Å; S86-H123 WeakPolarHBondContact CA-O 3.37Å; A87-H123 PolarHBondContact N-O 3.41Å; H123-I125 WeakPolarHBondContact CE1-CG1 3.22Å; H123-P141 PolarHBondContact CD2-O 3.32Å; H123-D143 IonicContact CE1-OD2 2.79Å; H123-D143 PolarHBondContact CE1-OD2 3.21Å; H123-D143 IonicContact NE2-OD2 3.79Å; H123-D143 PolarHBondContact NE2-OD2 3.13Å
124I98.8Very high97.9Very high0 Ų032.7 Ų32.70%019%0.187CC..EExtended strand (participates in β ladder)trans-121130.6174.5-52.4-62.8000109.6A87 I89 L116 A121 F138 I140 P141 V142 D143A87-I124 HydrophobicContact CB-CD1 3.8Å; A87-I124 WeakPolarHBondContact O-CA 3.45Å; I89-I124 HydrophobicContact CD1-CG2 4.49Å; L116-I124 HydrophobicContact CD1-CD1 4.31Å; A121-I124 HydrophobicContact CB-CD1 4.21Å; I124-F138 HydrophobicContact CD1-CE1 4.01Å; I124-F138 HydrophobicContact CD1-CZ 4.41Å; I124-F138 HydrophobicContact CG1-CD1 4.07Å; I124-F138 HydrophobicContact CG1-CE1 3.77Å; I124-F138 HydrophobicContact CG1-CZ 4.06Å; I124-I140 HydrophobicContact CD1-CD1 4.07Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.43Å; I124-P141 PolarHBondContact N-O 2.94Å; I124-P141 VanDerWaalsContact N-O 3.08Å; I124-V142 HydrophobicContact CB-CB 4.36Å; I124-V142 HydrophobicContact CB-CG1 4.09Å; I124-V142 HydrophobicContact CB-CG2 3.99Å; I124-V142 HydrophobicContact CG1-CG2 4.18Å; I124-V142 HydrophobicContact CG2-CG1 4.14Å; I124-V142 CarbonylContact O-C 3.54Å; I124-V142 WeakPolarHBondContact O-CA 3.25Å; I124-D143 PolarHBondContact O-N 2.98Å
125I98.7Very high97.9Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-113.7123.5165.6-58176.7000107Y54 A87 V88 I89 H123 D143 L145 L296 A299 I300Y54-I125 HydrophobicContact CD1-CD1 4.39Å; Y54-I125 HydrophobicContact CE1-CD1 4.19Å; A87-I125 PolarHBondContact O-N 3.45Å; V88-I125 CarbonylContact C-O 3.58Å; V88-I125 WeakPolarHBondContact CA-O 3.3Å; V88-I125 HydrophobicContact CG1-CB 4.41Å; V88-I125 HydrophobicContact CG1-CG2 4.49Å; V88-I125 HydrophobicContact CG2-CB 4.27Å; V88-I125 HydrophobicContact CG2-CD1 4.31Å; I89-I125 PolarHBondContact N-O 2.81Å; H123-I125 WeakPolarHBondContact CE1-CG1 3.22Å; I125-D143 WeakPolarHBondContact CA-O 3.48Å; I125-D143 HydrophobicContact CG1-CB 4.36Å; I125-L145 HydrophobicContact CG2-CD1 4.02Å; I125-L145 HydrophobicContact CG2-CG 4.28Å; I125-L296 HydrophobicContact CG2-CD2 4.31Å; I125-A299 HydrophobicContact CG2-CB 4.21Å; I125-I300 HydrophobicContact CD1-CG1 3.97Å
126T98.7Very high97.8Very high1 Ų132.6 Ų32.61%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-138.7176.4-179.9-168.80000110.4I89 L129 V142 D143 N144 L145I89-T126 VanDerWaalsContact O-CA 3.31Å; I89-T126 WeakPolarHBondContact O-CA 3.42Å; I89-T126 VanDerWaalsContact O-CB 3.27Å; I89-T126 WeakPolarHBondContact O-CB 3.48Å; I89-T126 PolarHBondContact O-OG1 3.34Å; T126-L129 HydrophobicContact CG2-CD1 3.82Å; T126-L129 HydrophobicContact CG2-CD2 3.97Å; T126-L129 HydrophobicContact CG2-CG 3.62Å; T126-V142 HydrophobicContact CG2-CG1 4.13Å; T126-D143 PolarHBondContact N-O 2.91Å; T126-N144 HydrophobicContact CG2-CB 4.23Å; T126-L145 WeakPolarHBondContact O-CB 3.41Å; T126-L145 WeakPolarHBondContact O-CG 3.34Å; T126-L145 PolarHBondContact O-N 2.89Å
127M98.2Very high97.8Very high0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-134.9135179.8-175.8168.8-79.300109.7L129 L145 A147 T249 H250 T274 V292 M295 L296M127-L129 PolarHBondContact O-N 3.3Å; M127-L145 CarbonylContact C-O 3.49Å; M127-L145 WeakPolarHBondContact CA-O 3.31Å; M127-L145 HydrophobicContact CB-CB 4.41Å; M127-L145 HydrophobicContact CE-CB 3.96Å; M127-L145 HydrophobicContact CE-CD1 4.16Å; M127-L145 HydrophobicContact CG-CB 4.45Å; M127-A147 HydrophobicContact SD-CB 4.27Å; M127-T249 HydrophobicContact CG-CG2 4.08Å; M127-T249 HydrophobicContact SD-CG2 4.25Å; M127-H250 PolarHBondContact O-CE1 2.73Å; M127-H250 PolarHBondContact O-NE2 2.64Å; M127-H250 VanDerWaalsContact O-NE2 3.11Å; M127-T274 HydrophobicContact CB-CG2 4.4Å; M127-T274 HydrophobicContact CG-CG2 4.43Å; M127-T274 HydrophobicContact SD-CG2 3.79Å; M127-V292 HydrophobicContact CE-CB 3.9Å; M127-V292 HydrophobicContact CE-CG1 4.24Å; M127-V292 HydrophobicContact CE-CG2 4.25Å; M127-V292 HydrophobicContact SD-CB 3.92Å; M127-V292 HydrophobicContact SD-CG1 3.86Å; M127-V292 HydrophobicContact SD-CG2 3.88Å; M127-M295 HydrophobicContact CE-CB 4.18Å; M127-M295 HydrophobicContact CE-SD 4.45Å; M127-L296 HydrophobicContact CE-CG 4.38Å
128D97Very high97.8Very high16 Ų1633 Ų339%0.08620%0.197CC..SBendtrans41.158.2176.7-71.6-49.5000114.5H130 N144 L145 Y146 A147 T249 H250D128-H130 PolarHBondContact O-N 3.22Å; D128-N144 PolarHBondContact N-OD1 2.96Å; D128-L145 PolarHBondContact N-O 3.09Å; D128-Y146 WeakPolarHBondContact OD1-CD1 3.22Å; D128-A147 WeakPolarHBondContact OD2-CB 3.37Å; D128-A147 PolarHBondContact OD2-N 3.11Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 WeakPolarHBondContact OD2-CB 3.47Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.37Å; D128-T249 PolarHBondContact OD2-OG1 3.09Å; D128-H250 PolarHBondContact O-NE2 3.35Å
129L97.4Very high97.8Very high14 Ų1434.5 Ų34.57%0.07320%0.201CC..  trans-47.7130.3170.4-77.9170.4000111.1F92 T126 M127 A131 I134 Q135 N144F92-L129 HydrophobicContact CB-CD2 3.57Å; F92-L129 HydrophobicContact CD1-CD2 4.29Å; F92-L129 HydrophobicContact CD2-CD2 4.2Å; F92-L129 HydrophobicContact CG-CD2 3.76Å; T126-L129 HydrophobicContact CG2-CD1 3.82Å; T126-L129 HydrophobicContact CG2-CD2 3.97Å; T126-L129 HydrophobicContact CG2-CG 3.62Å; M127-L129 PolarHBondContact O-N 3.3Å; L129-A131 PolarHBondContact O-N 2.92Å; L129-A131 VanDerWaalsContact O-N 3.08Å; L129-I134 HydrophobicContact CD1-CB 4.11Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.16Å; L129-I134 HydrophobicContact CD2-CD1 4.14Å; L129-I134 HydrophobicContact CD2-CG2 3.85Å; L129-Q135 HydrophobicContact CD1-CG 3.78Å; L129-N144 WeakPolarHBondContact CB-OD1 3.41Å; L129-N144 HydrophobicContact CD1-CB 4.08Å; L129-N144 VanDerWaalsContact CG-OD1 3.3Å; L129-N144 WeakPolarHBondContact CG-OD1 3.38Å; L129-N144 PolarHBondContact N-OD1 2.72Å
130H95.5Very high97.8Very high60 Ų6035.5 Ų35.528%0.27820%0.203SC..SBendtrans-48.3-42.5178.9-178.162.6000112.5A95 D128 D221 M222A95-H130 HydrophobicContact CB-CB 3.74Å; D128-H130 PolarHBondContact O-N 3.22Å; H130-D221 WeakPolarHBondContact CA-OD2 3.27Å; H130-D221 IonicContact CE1-OD2 3.15Å; H130-D221 IonicContact CG-OD2 2.63Å; H130-D221 IonicContact ND1-OD1 3.2Å; H130-D221 IonicContact ND1-OD2 3.24Å; H130-D221 PolarHBondContact ND1-OD2 3.35Å; H130-M222 HydrophobicContact CB-CE 4.09Å
131A94.8Very high97.8Very high10 Ų1038.9 Ų38.98%0.08322%0.223CC..SBendtrans-128.6126.417100000110.1D98 L129 Q133 I134D98-A131 HydrophobicContact CB-CB 4.44Å; D98-A131 VanDerWaalsContact OD2-CB 3.23Å; D98-A131 WeakPolarHBondContact OD2-CB 2.94Å; L129-A131 PolarHBondContact O-N 2.92Å; L129-A131 VanDerWaalsContact O-N 3.08Å; A131-Q133 PolarHBondContact O-N 3.01Å; A131-I134 HydrophobicContact CB-CD1 4.38Å; A131-I134 HydrophobicContact CB-CG1 4.38Å; A131-I134 WeakPolarHBondContact O-CB 3.35Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; A131-I134 PolarHBondContact O-N 3.24Å
132S94.8Very high97.8Very high65 Ų6539.6 Ų39.646%0.45523%0.226SC..G310 helixtrans-54.4-26.8177.459.80000113.8I134 Q135S132-I134 PolarHBondContact O-N 3.21Å; S132-Q135 WeakPolarHBondContact O-CB 3.46Å; S132-Q135 PolarHBondContact O-N 3.21Å; S132-Q135 PolarHBondContact O-NE2 2.74Å
133Q96.8Very high97.8Very high124 Ų12438.8 Ų38.858%0.57922%0.222SC*.G310 helixtrans-66.4-18.6179.6-67.876.1700113.1A131 Q135 G136A131-Q133 PolarHBondContact O-N 3.01Å; Q133-Q135 PolarHBondContact O-N 3.08Å; Q133-G136 WeakPolarHBondContact O-CA 3.23Å; Q133-G136 PolarHBondContact O-N 3.02Å
134I98.4Very high97.7Very high0 Ų038.4 Ų38.40%022%0.221CC..G310 helixtrans-59.4-27.7174.7-65.4167.5000110.8F92 A95 D98 A109 L129 A131 S132 G136 F137 F138F92-I134 HydrophobicContact CD1-CG2 4.38Å; F92-I134 HydrophobicContact CE1-CG2 4.13Å; F92-I134 HydrophobicContact CZ-CG2 4.4Å; A95-I134 HydrophobicContact CB-CD1 3.91Å; D98-I134 HydrophobicContact CB-CD1 4.35Å; D98-I134 HydrophobicContact CB-CG1 4.18Å; A109-I134 HydrophobicContact CB-CD1 4.45Å; A109-I134 HydrophobicContact CB-CG1 4.46Å; L129-I134 HydrophobicContact CD1-CB 4.11Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.16Å; L129-I134 HydrophobicContact CD2-CD1 4.14Å; L129-I134 HydrophobicContact CD2-CG2 3.85Å; A131-I134 HydrophobicContact CB-CD1 4.38Å; A131-I134 HydrophobicContact CB-CG1 4.38Å; A131-I134 WeakPolarHBondContact O-CB 3.35Å; A131-I134 WeakPolarHBondContact O-CG1 3.39Å; A131-I134 PolarHBondContact O-N 3.24Å; S132-I134 PolarHBondContact O-N 3.21Å; I134-G136 PolarHBondContact O-N 3.34Å; I134-F137 HydrophobicContact CB-CD2 4.25Å; I134-F137 HydrophobicContact CB-CE2 4.47Å; I134-F137 HydrophobicContact CG1-CD2 4.18Å; I134-F137 HydrophobicContact CG1-CE2 3.94Å; I134-F137 HydrophobicContact CG2-CD2 4.12Å; I134-F137 VanDerWaalsContact O-CB 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.35Å; I134-F137 PolarHBondContact O-N 3.23Å; I134-F138 HydrophobicContact CG2-CE2 4.39Å
135Q98.2Very high97.7Very high66 Ų6638.4 Ų38.431%0.30822%0.221SC..G310 helixtrans-56.4-39.8171.7-66.9177.882.400111.6L129 S132 Q133 F137 F138 V142 N144L129-Q135 HydrophobicContact CD1-CG 3.78Å; S132-Q135 WeakPolarHBondContact O-CB 3.46Å; S132-Q135 PolarHBondContact O-N 3.21Å; S132-Q135 PolarHBondContact O-NE2 2.74Å; Q133-Q135 PolarHBondContact O-N 3.08Å; Q135-F137 PolarHBondContact O-N 3.49Å; Q135-F138 PolarHBondContact O-N 3.05Å; Q135-V142 HydrophobicContact CB-CB 4.46Å; Q135-V142 HydrophobicContact CG-CB 4.18Å; Q135-V142 HydrophobicContact CG-CG1 3.99Å; Q135-V142 PolarHBondContact OE1-O 3.26Å; Q135-N144 HydrophobicContact CG-CB 4.32Å
136G98.3Very high97.5Very high61 Ų6142 Ų4263%0.62924%0.235SC*.G310 helixtrans-74.91.5176.100000114.7Q133 I134 F138Q133-G136 WeakPolarHBondContact O-CA 3.23Å; Q133-G136 PolarHBondContact O-N 3.02Å; I134-G136 PolarHBondContact O-N 3.34Å; G136-F138 VanDerWaalsContact C-N 3.3Å
137F98.6Very high97.4Very high35 Ų3542 Ų4215%0.15424%0.235CC..G310 helixtrans-80.4-17.4169.1-65.8-9.4000112.5D98 I107 A109 K110 A113 I134 Q135D98-F137 HydrophobicContact CB-CE2 4.26Å; D98-F137 HydrophobicContact CB-CZ 4.37Å; D98-F137 WeakPolarHBondContact O-CZ 3.34Å; I107-F137 HydrophobicContact CG2-CE2 4.06Å; I107-F137 HydrophobicContact CG2-CZ 4Å; A109-F137 HydrophobicContact CB-CD2 4.13Å; A109-F137 HydrophobicContact CB-CE2 3.83Å; K110-F137 HydrophobicContact CB-CD1 4.49Å; K110-F137 HydrophobicContact CB-CD2 3.87Å; K110-F137 HydrophobicContact CB-CE2 4.14Å; K110-F137 HydrophobicContact CB-CG 4.08Å; K110-F137 HydrophobicContact CD-CB 3.66Å; K110-F137 HydrophobicContact CD-CD1 4.09Å; K110-F137 HydrophobicContact CD-CD2 4.47Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 PolarHBondContact NZ-O 2.89Å; A113-F137 HydrophobicContact CB-CB 3.73Å; I134-F137 HydrophobicContact CB-CD2 4.25Å; I134-F137 HydrophobicContact CB-CE2 4.47Å; I134-F137 HydrophobicContact CG1-CD2 4.18Å; I134-F137 HydrophobicContact CG1-CE2 3.94Å; I134-F137 HydrophobicContact CG2-CD2 4.12Å; I134-F137 VanDerWaalsContact O-CB 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.35Å; I134-F137 PolarHBondContact O-N 3.23Å; Q135-F137 PolarHBondContact O-N 3.49Å
138F98.7Very high97.3Very high13 Ų1343.3 Ų43.36%0.05724%0.241CC..  trans-102.3146.6177.4-65.2-90000111.1F92 A113 L116 I124 I134 Q135 G136 I140 V142F92-F138 AromaticContact CE2-CE2 4Å; F92-F138 HydrophobicContact CE2-CE2 4Å; F92-F138 AromaticContact CE2-CZ 3.7Å; F92-F138 HydrophobicContact CE2-CZ 3.7Å; F92-F138 AromaticContact CZ-CE2 3.91Å; F92-F138 HydrophobicContact CZ-CE2 3.91Å; F92-F138 AromaticContact CZ-CZ 3.67Å; F92-F138 HydrophobicContact CZ-CZ 3.67Å; A113-F138 VanDerWaalsContact CA-CE1 3.44Å; A113-F138 VanDerWaalsContact CA-CZ 3.44Å; A113-F138 HydrophobicContact CB-CD1 3.96Å; A113-F138 HydrophobicContact CB-CD2 3.91Å; A113-F138 HydrophobicContact CB-CE1 3.61Å; A113-F138 HydrophobicContact CB-CE2 3.54Å; A113-F138 HydrophobicContact CB-CG 4.11Å; A113-F138 HydrophobicContact CB-CZ 3.4Å; L116-F138 HydrophobicContact CB-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CE1 4.11Å; L116-F138 HydrophobicContact CD1-CZ 3.96Å; I124-F138 HydrophobicContact CD1-CE1 4.01Å; I124-F138 HydrophobicContact CD1-CZ 4.41Å; I124-F138 HydrophobicContact CG1-CD1 4.07Å; I124-F138 HydrophobicContact CG1-CE1 3.77Å; I124-F138 HydrophobicContact CG1-CZ 4.06Å; I134-F138 HydrophobicContact CG2-CE2 4.39Å; Q135-F138 PolarHBondContact O-N 3.05Å; G136-F138 VanDerWaalsContact C-N 3.3Å; F138-I140 HydrophobicContact CB-CG1 3.96Å; F138-I140 HydrophobicContact CD1-CD1 4.01Å; F138-I140 HydrophobicContact CD1-CG1 3.84Å; F138-I140 HydrophobicContact CG-CG1 4.29Å; F138-V142 HydrophobicContact CB-CG2 3.79Å; F138-V142 HydrophobicContact CD2-CG2 3.66Å; F138-V142 HydrophobicContact CE2-CG2 4.38Å; F138-V142 HydrophobicContact CG-CG2 3.79Å
139D98.3Very high97.2Very high160 Ų16042.9 Ų42.986%0.85624%0.239SC*.SBendtrans-94.3-12.3165.6-58.9-53000111.7
140I98.5Very high97.1Very high39 Ų3942.7 Ų42.720%0.224%0.239CC..SBendtrans-87.9156.2171.960.2176.2000110.6A121 I124 F138A121-I140 HydrophobicContact CB-CD1 4.12Å; A121-I140 WeakPolarHBondContact O-CD1 3.27Å; I124-I140 HydrophobicContact CD1-CD1 4.07Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.43Å; F138-I140 HydrophobicContact CB-CG1 3.96Å; F138-I140 HydrophobicContact CD1-CD1 4.01Å; F138-I140 HydrophobicContact CD1-CG1 3.84Å; F138-I140 HydrophobicContact CG-CG1 4.29Å
141P98.4Very high97.1Very high84 Ų8440.1 Ų40.155%0.54523%0.228SC..  trans-65.7143-179.9-9.823.7000111.5H123 I124H123-P141 PolarHBondContact CD2-O 3.32Å; I124-P141 PolarHBondContact N-O 2.94Å; I124-P141 VanDerWaalsContact N-O 3.08Å
142V98.7Very high97.2Very high18 Ų1840.2 Ų40.211%0.10923%0.227CC..EExtended strand (participates in β ladder)trans-127.9115.6177.6-1780000109I124 T126 Q135 F138 N144I124-V142 HydrophobicContact CB-CB 4.36Å; I124-V142 HydrophobicContact CB-CG1 4.09Å; I124-V142 HydrophobicContact CB-CG2 3.99Å; I124-V142 HydrophobicContact CG1-CG2 4.18Å; I124-V142 HydrophobicContact CG2-CG1 4.14Å; I124-V142 CarbonylContact O-C 3.54Å; I124-V142 WeakPolarHBondContact O-CA 3.25Å; T126-V142 HydrophobicContact CG2-CG1 4.13Å; Q135-V142 HydrophobicContact CB-CB 4.46Å; Q135-V142 HydrophobicContact CG-CB 4.18Å; Q135-V142 HydrophobicContact CG-CG1 3.99Å; Q135-V142 PolarHBondContact OE1-O 3.26Å; F138-V142 HydrophobicContact CB-CG2 3.79Å; F138-V142 HydrophobicContact CD2-CG2 3.66Å; F138-V142 HydrophobicContact CE2-CG2 4.38Å; F138-V142 HydrophobicContact CG-CG2 3.79Å; V142-N144 PolarHBondContact O-N 3.12Å
143D98.3Very high97.3Very high37 Ų3743 Ų4320%0.19823%0.231CC..EExtended strand (participates in β ladder)trans-88.798.4168.8-74.6-33.2000109H123 I124 I125 T126 L145 T303 V309H123-D143 IonicContact CE1-OD2 2.79Å; H123-D143 PolarHBondContact CE1-OD2 3.21Å; H123-D143 IonicContact NE2-OD2 3.79Å; H123-D143 PolarHBondContact NE2-OD2 3.13Å; I124-D143 PolarHBondContact O-N 2.98Å; I125-D143 WeakPolarHBondContact CA-O 3.48Å; I125-D143 HydrophobicContact CG1-CB 4.36Å; T126-D143 PolarHBondContact N-O 2.91Å; D143-L145 PolarHBondContact O-N 2.69Å; D143-T303 PolarHBondContact OD2-OG1 3.28Å; D143-V309 HydrophobicContact CB-CG1 4.31Å
144N97.8Very high97.3Very high4 Ų438.3 Ų38.32%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-87.2101.3171.7177.268.7000110.4T126 D128 L129 Q135 V142 Y146 F313T126-N144 HydrophobicContact CG2-CB 4.23Å; D128-N144 PolarHBondContact N-OD1 2.96Å; L129-N144 WeakPolarHBondContact CB-OD1 3.41Å; L129-N144 HydrophobicContact CD1-CB 4.08Å; L129-N144 VanDerWaalsContact CG-OD1 3.3Å; L129-N144 WeakPolarHBondContact CG-OD1 3.38Å; L129-N144 PolarHBondContact N-OD1 2.72Å; Q135-N144 HydrophobicContact CG-CB 4.32Å; V142-N144 PolarHBondContact O-N 3.12Å; N144-Y146 VanDerWaalsContact ND2-CE1 3.28Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.25Å; N144-Y146 VanDerWaalsContact ND2-CZ 3.35Å; N144-Y146 PolarHBondContact ND2-OH 2.76Å; N144-Y146 WeakPolarHBondContact O-CE2 3.44Å; N144-F313 WeakPolarHBondContact O-CE1 3.43Å
145L97.3Very high97.2Very high0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-73.5160.9174.6-52.4-178.4000111.1I125 T126 M127 D128 D143 L296 A299 V309 L312 F313I125-L145 HydrophobicContact CG2-CD1 4.02Å; I125-L145 HydrophobicContact CG2-CG 4.28Å; T126-L145 WeakPolarHBondContact O-CB 3.41Å; T126-L145 WeakPolarHBondContact O-CG 3.34Å; T126-L145 PolarHBondContact O-N 2.89Å; M127-L145 CarbonylContact C-O 3.49Å; M127-L145 WeakPolarHBondContact CA-O 3.31Å; M127-L145 HydrophobicContact CB-CB 4.41Å; M127-L145 HydrophobicContact CE-CB 3.96Å; M127-L145 HydrophobicContact CE-CD1 4.16Å; M127-L145 HydrophobicContact CG-CB 4.45Å; D128-L145 PolarHBondContact N-O 3.09Å; D143-L145 PolarHBondContact O-N 2.69Å; L145-L296 HydrophobicContact CD1-CD2 3.77Å; L145-L296 HydrophobicContact CD1-CG 4.44Å; L145-A299 HydrophobicContact CD1-CB 3.7Å; L145-A299 HydrophobicContact CD2-CB 3.96Å; L145-A299 HydrophobicContact CG-CB 4.4Å; L145-V309 HydrophobicContact CD2-CG1 3.81Å; L145-L312 HydrophobicContact CD2-CD1 4.47Å; L145-F313 HydrophobicContact CD2-CE1 4.08Å
146Y95.7Very high97.2Very high76 Ų7639.9 Ų39.930%0.29821%0.213SC..  trans-123134.6178.3-59.1-79.4000110D128 N144 E148 P149 M295 F313D128-Y146 WeakPolarHBondContact OD1-CD1 3.22Å; N144-Y146 VanDerWaalsContact ND2-CE1 3.28Å; N144-Y146 WeakPolarHBondContact ND2-CE1 3.25Å; N144-Y146 VanDerWaalsContact ND2-CZ 3.35Å; N144-Y146 PolarHBondContact ND2-OH 2.76Å; N144-Y146 WeakPolarHBondContact O-CE2 3.44Å; Y146-E148 PolarHBondContact O-N 2.78Å; Y146-P149 WeakPolarHBondContact O-CD 3.28Å; Y146-M295 WeakPolarHBondContact O-CE 3.33Å; Y146-F313 HydrophobicContact CD2-CB 3.97Å; Y146-F313 AromaticContact CD2-CD1 3.75Å; Y146-F313 HydrophobicContact CD2-CD1 3.75Å; Y146-F313 HydrophobicContact CD2-CE1 4.43Å; Y146-F313 AromaticContact CD2-CG 3.9Å; Y146-F313 HydrophobicContact CD2-CG 3.9Å; Y146-F313 HydrophobicContact CE2-CB 4.32Å; Y146-F313 AromaticContact CE2-CD1 3.98Å; Y146-F313 HydrophobicContact CE2-CD1 3.98Å; Y146-F313 HydrophobicContact CE2-CD2 4.3Å; Y146-F313 HydrophobicContact CE2-CE1 4.35Å; Y146-F313 AromaticContact CE2-CG 3.96Å; Y146-F313 HydrophobicContact CE2-CG 3.96Å
147A96.2Very high97.1Very high0 Ų042 Ų420%021%0.214CC..SBendtrans-78.4-8.8171.300000112.4M127 D128 A150 V151 T249 T272M127-A147 HydrophobicContact SD-CB 4.27Å; D128-A147 WeakPolarHBondContact OD2-CB 3.37Å; D128-A147 PolarHBondContact OD2-N 3.11Å; A147-A150 CarbonylContact O-C 3.52Å; A147-A150 WeakPolarHBondContact O-CA 3.27Å; A147-A150 WeakPolarHBondContact O-CB 3.4Å; A147-A150 PolarHBondContact O-N 3.36Å; A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.37Å; A147-V151 PolarHBondContact O-N 2.93Å; A147-T249 HydrophobicContact CB-CG2 3.78Å; A147-T272 HydrophobicContact CB-CG2 4.04Å
148E95.3Very high97.1Very high27 Ų2743.7 Ų43.713%0.12623%0.225CC..Hα-helixtrans-45.5-49.1-178.1167.9168.7-167.800114Y146 A150 V151 I152 S180 I181 Q184Y146-E148 PolarHBondContact O-N 2.78Å; E148-A150 VanDerWaalsContact C-N 3.3Å; E148-A150 PolarHBondContact O-N 2.99Å; E148-V151 PolarHBondContact O-N 3.41Å; E148-I152 HydrophobicContact CG-CD1 3.78Å; E148-I152 WeakPolarHBondContact O-CB 3.18Å; E148-I152 WeakPolarHBondContact O-CG1 3.09Å; E148-I152 PolarHBondContact O-N 3.19Å; E148-S180 WeakPolarHBondContact OE1-CB 3.49Å; E148-S180 PolarHBondContact OE1-OG 3.1Å; E148-S180 PolarHBondContact OE2-OG 3.15Å; E148-I181 HydrophobicContact CG-CG1 3.91Å; E148-I181 PolarHBondContact OE1-N 3.28Å; E148-Q184 PolarHBondContact OE1-NE2 2.98Å
149P94.7Very high97Very high8 Ų843.1 Ų43.15%0.05222%0.223CC..Hα-helixtrans-60.1-38.2176.4-25.535.9000113.4Y146 K153 F313 V316Y146-P149 WeakPolarHBondContact O-CD 3.28Å; P149-K153 WeakPolarHBondContact O-CB 3.36Å; P149-K153 PolarHBondContact O-N 3.38Å; P149-F313 WeakPolarHBondContact CG-O 3.36Å; P149-V316 HydrophobicContact CB-CG2 3.53Å; P149-V316 VanDerWaalsContact O-CG2 3.24Å; P149-V316 WeakPolarHBondContact O-CG2 3.35Å
150A96Very high96.9Very high9 Ų940.4 Ų40.47%0.07421%0.214CC..Hα-helixtrans-73.2-37.217900000111.7A147 E148 K153 W154 I290 M295 V316A147-A150 CarbonylContact O-C 3.52Å; A147-A150 WeakPolarHBondContact O-CA 3.27Å; A147-A150 WeakPolarHBondContact O-CB 3.4Å; A147-A150 PolarHBondContact O-N 3.36Å; E148-A150 VanDerWaalsContact C-N 3.3Å; E148-A150 PolarHBondContact O-N 2.99Å; A150-K153 PolarHBondContact O-N 3.19Å; A150-W154 WeakPolarHBondContact O-CB 3.23Å; A150-W154 PolarHBondContact O-N 3.39Å; A150-I290 HydrophobicContact CB-CG2 3.89Å; A150-M295 HydrophobicContact CB-SD 4.09Å; A150-V316 HydrophobicContact CB-CG2 4.28Å
151V96.3Very high96.8Very high6 Ų641.8 Ų41.84%0.03622%0.219CC..Hα-helixtrans-61.8-49172.8168.30000110.6A147 E148 K153 W154 V155 I247 I290A147-V151 HydrophobicContact CB-CG2 4.37Å; A147-V151 WeakPolarHBondContact O-CG2 3.37Å; A147-V151 PolarHBondContact O-N 2.93Å; E148-V151 PolarHBondContact O-N 3.41Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.41Å; V151-W154 PolarHBondContact O-N 2.93Å; V151-W154 VanDerWaalsContact O-N 3.1Å; V151-V155 HydrophobicContact CG1-CG2 4.4Å; V151-V155 WeakPolarHBondContact O-CG2 3.41Å; V151-V155 PolarHBondContact O-N 3.49Å; V151-I247 HydrophobicContact CB-CG2 4.39Å; V151-I247 HydrophobicContact CG1-CD1 3.88Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.71Å; V151-I290 HydrophobicContact CG2-CD1 4.41Å
152I96.1Very high96.8Very high13 Ų1340.3 Ų40.37%0.06720%0.203CC..Hα-helixtrans-59.2-44.3177.6-73.8167.5000111E148 W154 V155 K156 I181 Q184 L185E148-I152 HydrophobicContact CG-CD1 3.78Å; E148-I152 WeakPolarHBondContact O-CB 3.18Å; E148-I152 WeakPolarHBondContact O-CG1 3.09Å; E148-I152 PolarHBondContact O-N 3.19Å; I152-W154 VanDerWaalsContact C-N 3.33Å; I152-W154 PolarHBondContact O-N 2.94Å; I152-V155 PolarHBondContact O-N 3.35Å; I152-K156 HydrophobicContact CG2-CD 4.25Å; I152-K156 WeakPolarHBondContact O-CG 3.37Å; I152-K156 PolarHBondContact O-N 2.85Å; I152-I181 HydrophobicContact CG1-CG2 4.23Å; I152-Q184 HydrophobicContact CD1-CB 3.65Å; I152-Q184 HydrophobicContact CD1-CG 4.22Å; I152-L185 HydrophobicContact CG1-CD2 4.4Å; I152-L185 HydrophobicContact CG1-CG 4.4Å; I152-L185 HydrophobicContact CG2-CD2 3.82Å
153K96Very high96.7Very high123 Ų12346.1 Ų46.154%0.53523%0.227SC..Hα-helixtrans-59.7-44.6174.9-177.1179.6179.3-179.60111.3P149 A150 V151 T157 V316P149-K153 WeakPolarHBondContact O-CB 3.36Å; P149-K153 PolarHBondContact O-N 3.38Å; A150-K153 PolarHBondContact O-N 3.19Å; V151-K153 VanDerWaalsContact C-N 3.32Å; V151-K153 PolarHBondContact O-N 3.41Å; K153-T157 WeakPolarHBondContact O-CB 3.17Å; K153-T157 PolarHBondContact O-N 2.95Å; K153-T157 PolarHBondContact O-OG1 3.25Å; K153-V316 HydrophobicContact CB-CG2 4.47Å; K153-V316 HydrophobicContact CD-CG1 4.42Å; K153-V316 HydrophobicContact CD-CG2 4.4Å
154W97.3Very high96.6Very high26 Ų2650 Ų5010%0.09825%0.248CC..Hα-helixtrans-63.3-46.5178.7-175.496.9000111.3A150 V151 I152 K156 T157 N158 I159 Y245 I247 V270 Q288 I290A150-W154 WeakPolarHBondContact O-CB 3.23Å; A150-W154 PolarHBondContact O-N 3.39Å; V151-W154 PolarHBondContact O-N 2.93Å; V151-W154 VanDerWaalsContact O-N 3.1Å; I152-W154 VanDerWaalsContact C-N 3.33Å; I152-W154 PolarHBondContact O-N 2.94Å; W154-K156 PolarHBondContact O-N 3.07Å; W154-T157 PolarHBondContact O-N 3.48Å; W154-N158 VanDerWaalsContact CD1-ND2 3.34Å; W154-N158 HydrophobicContact CD2-CB 4.18Å; W154-N158 HydrophobicContact CE3-CB 4.43Å; W154-N158 HydrophobicContact CH2-CB 3.96Å; W154-N158 HydrophobicContact CZ2-CB 3.71Å; W154-N158 HydrophobicContact CZ3-CB 4.32Å; W154-N158 PolarHBondContact NE1-ND2 3.07Å; W154-N158 WeakPolarHBondContact O-CB 3.44Å; W154-N158 PolarHBondContact O-N 2.86Å; W154-N158 PolarHBondContact O-ND2 3.37Å; W154-I159 HydrophobicContact CH2-CD1 4.46Å; W154-I159 HydrophobicContact CH2-CG1 4.36Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 4.02Å; W154-Y245 HydrophobicContact CH2-CD1 4.03Å; W154-Y245 HydrophobicContact CH2-CE1 4.23Å; W154-I247 HydrophobicContact CE3-CD1 3.95Å; W154-I247 HydrophobicContact CZ3-CD1 4.1Å; W154-V270 HydrophobicContact CD2-CG1 4.04Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.98Å; W154-V270 HydrophobicContact CG-CG1 4.26Å; W154-V270 HydrophobicContact CH2-CG2 3.35Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.69Å; W154-Q288 VanDerWaalsContact CZ2-OE1 3.25Å; W154-I290 HydrophobicContact CB-CD1 3.76Å; W154-I290 HydrophobicContact CB-CG1 4.33Å; W154-I290 HydrophobicContact CG-CD1 3.97Å; W154-I290 HydrophobicContact CG-CG1 4.23Å
155V97.6Very high96.6Very high1 Ų149.9 Ų49.91%0.00625%0.247CC..Hα-helixtrans-58.3-51.1179168.20000110.9V151 I152 T157 N158 I159 W162 L185 I217 I247V151-V155 HydrophobicContact CG1-CG2 4.4Å; V151-V155 WeakPolarHBondContact O-CG2 3.41Å; V151-V155 PolarHBondContact O-N 3.49Å; I152-V155 PolarHBondContact O-N 3.35Å; V155-T157 PolarHBondContact O-N 3.08Å; V155-N158 PolarHBondContact O-N 3.42Å; V155-I159 HydrophobicContact CG1-CD1 4.42Å; V155-I159 PolarHBondContact O-N 3.45Å; V155-W162 HydrophobicContact CG1-CB 3.76Å; V155-L185 HydrophobicContact CG1-CD1 4.04Å; V155-I217 HydrophobicContact CG1-CD1 3.83Å; V155-I217 HydrophobicContact CG2-CD1 4.14Å; V155-I247 HydrophobicContact CG2-CD1 3.54Å
156K97Very high96.6Very high97 Ų9749.9 Ų49.942%0.42225%0.247SC..Hα-helixtrans-61.1-28.3179.5-73.4-178176.2173.40113.7I152 W154 W162 L185I152-K156 HydrophobicContact CG2-CD 4.25Å; I152-K156 WeakPolarHBondContact O-CG 3.37Å; I152-K156 PolarHBondContact O-N 2.85Å; W154-K156 PolarHBondContact O-N 3.07Å; K156-W162 HydrophobicContact CD-CH2 4.46Å; K156-W162 HydrophobicContact CD-CZ2 4.39Å; K156-W162 HydrophobicContact CG-CD2 3.99Å; K156-W162 HydrophobicContact CG-CE3 4.25Å; K156-W162 HydrophobicContact CG-CG 4.5Å; K156-W162 HydrophobicContact CG-CH2 4.4Å; K156-W162 HydrophobicContact CG-CZ2 4.12Å; K156-W162 HydrophobicContact CG-CZ3 4.45Å; K156-L185 HydrophobicContact CD-CD2 4.35Å; K156-L185 VanDerWaalsContact CE-CD2 3.46Å; K156-L185 HydrophobicContact CG-CD2 4.05Å
157T96.9Very high96.7Very high105 Ų10546.2 Ų46.264%0.64423%0.233SC*.Hα-helixtrans-88.9-34-176.3-53.20000112.3K153 W154 V155K153-T157 WeakPolarHBondContact O-CB 3.17Å; K153-T157 PolarHBondContact O-N 2.95Å; K153-T157 PolarHBondContact O-OG1 3.25Å; W154-T157 PolarHBondContact O-N 3.48Å; V155-T157 PolarHBondContact O-N 3.08Å
158N97.7Very high96.8Very high72 Ų7246.2 Ų46.239%0.38523%0.233SC..Hα-helixtrans-111-17-167.1-64.3-83.1000114.5W154 V155W154-N158 VanDerWaalsContact CD1-ND2 3.34Å; W154-N158 HydrophobicContact CD2-CB 4.18Å; W154-N158 HydrophobicContact CE3-CB 4.43Å; W154-N158 HydrophobicContact CH2-CB 3.96Å; W154-N158 HydrophobicContact CZ2-CB 3.71Å; W154-N158 HydrophobicContact CZ3-CB 4.32Å; W154-N158 PolarHBondContact NE1-ND2 3.07Å; W154-N158 WeakPolarHBondContact O-CB 3.44Å; W154-N158 PolarHBondContact O-N 2.86Å; W154-N158 PolarHBondContact O-ND2 3.37Å; V155-N158 PolarHBondContact O-N 3.42Å
159I97.4Very high96.9Very high1 Ų145 Ų451%0.00523%0.227CC..  trans-111.3104.5178.7-60178.7000108.2W154 V155 E161 W162 V215 I217 Y245W154-I159 HydrophobicContact CH2-CD1 4.46Å; W154-I159 HydrophobicContact CH2-CG1 4.36Å; W154-I159 HydrophobicContact CZ3-CD1 3.84Å; W154-I159 HydrophobicContact CZ3-CG1 4.02Å; V155-I159 HydrophobicContact CG1-CD1 4.42Å; V155-I159 PolarHBondContact O-N 3.45Å; I159-E161 PolarHBondContact O-N 3.39Å; I159-W162 HydrophobicContact CB-CB 4.29Å; I159-W162 HydrophobicContact CG2-CB 4.34Å; I159-W162 WeakPolarHBondContact O-CB 3.42Å; I159-W162 PolarHBondContact O-N 3.2Å; I159-W162 VanDerWaalsContact O-N 3.17Å; I159-V215 HydrophobicContact CG2-CG1 4.03Å; I159-I217 HydrophobicContact CD1-CD1 3.48Å; I159-I217 VanDerWaalsContact CD1-CD1 3.48Å; I159-I217 HydrophobicContact CD1-CG1 3.96Å; I159-Y245 HydrophobicContact CD1-CD1 4.13Å; I159-Y245 HydrophobicContact CD1-CD2 3.69Å; I159-Y245 HydrophobicContact CD1-CE1 4.29Å; I159-Y245 HydrophobicContact CD1-CE2 3.87Å; I159-Y245 HydrophobicContact CD1-CG 3.83Å; I159-Y245 HydrophobicContact CG1-CD1 4.5Å; I159-Y245 HydrophobicContact CG1-CD2 4.35Å; I159-Y245 HydrophobicContact CG1-CE1 4.18Å; I159-Y245 HydrophobicContact CG1-CE2 4.02Å; I159-Y245 HydrophobicContact CG2-CE2 4.44Å
160P96.9Very high96.9Very high103 Ų10344.6 Ų44.667%0.66922%0.224SC*.THydrogen-bonded Turntrans-56.6-37.5-178.9-25.533.9000113.4W162P160-W162 VanDerWaalsContact C-N 3.26Å; P160-W162 PolarHBondContact O-N 3.15Å
161E95.9Very high96.6Very high68 Ų6847.1 Ų47.132%0.31824%0.236SC..THydrogen-bonded Turntrans-88.916.8-176-5178.7-176.700112.7I159 K163 D164 C165 V215 R243I159-E161 PolarHBondContact O-N 3.39Å; E161-K163 PolarHBondContact O-N 3.14Å; E161-D164 PolarHBondContact O-N 2.61Å; E161-C165 PolarHBondContact O-N 2.89Å; E161-V215 HydrophobicContact CB-CG2 3.97Å; E161-V215 HydrophobicContact CG-CG2 4.46Å; E161-R243 IonicContact OE1-CZ 2.69Å; E161-R243 IonicContact OE1-NH2 3.09Å; E161-R243 PolarHBondContact OE1-NH2 2.76Å; E161-R243 IonicContact OE2-CZ 3.56Å; E161-R243 IonicContact OE2-NH1 3.62Å; E161-R243 IonicContact OE2-NH2 3.59Å; E161-R243 PolarHBondContact OE2-NH2 3.49Å
162W97.2Very high96.2Very high52 Ų5249.3 Ų49.320%0.19726%0.256CS..G310 helixtrans-56.8-25.2-174.372.5-95.2000113.7V155 K156 I159 P160 D164 C165 L185 V187V155-W162 HydrophobicContact CG1-CB 3.76Å; K156-W162 HydrophobicContact CD-CH2 4.46Å; K156-W162 HydrophobicContact CD-CZ2 4.39Å; K156-W162 HydrophobicContact CG-CD2 3.99Å; K156-W162 HydrophobicContact CG-CE3 4.25Å; K156-W162 HydrophobicContact CG-CG 4.5Å; K156-W162 HydrophobicContact CG-CH2 4.4Å; K156-W162 HydrophobicContact CG-CZ2 4.12Å; K156-W162 HydrophobicContact CG-CZ3 4.45Å; I159-W162 HydrophobicContact CB-CB 4.29Å; I159-W162 HydrophobicContact CG2-CB 4.34Å; I159-W162 WeakPolarHBondContact O-CB 3.42Å; I159-W162 PolarHBondContact O-N 3.2Å; I159-W162 VanDerWaalsContact O-N 3.17Å; P160-W162 VanDerWaalsContact C-N 3.26Å; P160-W162 PolarHBondContact O-N 3.15Å; W162-D164 VanDerWaalsContact C-N 3.28Å; W162-D164 PolarHBondContact O-N 3.43Å; W162-C165 PolarHBondContact O-N 2.89Å; W162-C165 PolarHBondContact O-SG 3.23Å; W162-L185 HydrophobicContact CE3-CD2 4.02Å; W162-L185 HydrophobicContact CZ3-CD2 4.11Å; W162-V187 WeakPolarHBondContact O-CG1 3.45Å
163K97.1Very high95.7Very high140 Ų14052 Ų5261%0.60929%0.286SS*.G310 helixtrans-69.5-24.5179.4-67-176.4179.4178.90113.7E161E161-K163 PolarHBondContact O-N 3.14Å
164D96.1Very high95.5Very high120 Ų12046.2 Ų46.264%0.64226%0.262SS*.G310 helixtrans-115.913.4-179.7-62.8-38.7000111.2E161 W162 R214E161-D164 PolarHBondContact O-N 2.61Å; W162-D164 VanDerWaalsContact C-N 3.28Å; W162-D164 PolarHBondContact O-N 3.43Å; D164-R214 PolarHBondContact O-NE 3.3Å; D164-R214 PolarHBondContact O-NH2 3.09Å
165C97.5Very high95.3Very high0 Ų046.4 Ų46.40%027%0.268CS..  trans-74170.7178.181.70000111.9E161 W162 R214 V215 I217E161-C165 PolarHBondContact O-N 2.89Å; W162-C165 PolarHBondContact O-N 2.89Å; W162-C165 PolarHBondContact O-SG 3.23Å; C165-R214 PolarHBondContact O-NH2 2.69Å; C165-V215 CarbonylContact C-O 3.52Å; C165-V215 VanDerWaalsContact CA-O 3.23Å; C165-V215 WeakPolarHBondContact CA-O 3.5Å; C165-V215 HydrophobicContact CB-CB 4.09Å; C165-V215 HydrophobicContact CB-CG1 4.4Å; C165-V215 VanDerWaalsContact CB-O 3.32Å; C165-V215 WeakPolarHBondContact CB-O 3.27Å; C165-I217 HydrophobicContact CB-CD1 4.11Å; C165-I217 HydrophobicContact CB-CG1 4.47Å
166C98Very high95Very high0 Ų055 Ų550%031%0.306CS..EExtended strand (participates in β ladder)trans-125.8124.6172.8-174.30000109.5D188 F189 V211 V215 A216 I217C166-D188 WeakPolarHBondContact CA-O 3.42Å; C166-F189 VanDerWaalsContact SG-C 3.59Å; C166-V211 HydrophobicContact CB-CG1 4.27Å; C166-V215 PolarHBondContact N-O 2.98Å; C166-A216 WeakPolarHBondContact O-CA 3.31Å; C166-I217 PolarHBondContact O-N 2.84Å
167I98.3Very high94.9Very high0 Ų052.9 Ų52.90%030%0.295CS..EExtended strand (participates in β ladder)trans-85.3123177.4-50.1-57.4000109V178 I181 A182 L185 V187 D188 F189 A190 I217 V219I167-V178 HydrophobicContact CG2-CB 3.75Å; I167-V178 HydrophobicContact CG2-CG1 4.03Å; I167-I181 HydrophobicContact CD1-CG2 4.25Å; I167-I181 HydrophobicContact CG1-CG2 4.19Å; I167-I181 HydrophobicContact CG2-CB 4.44Å; I167-I181 HydrophobicContact CG2-CG2 4.31Å; I167-A182 HydrophobicContact CB-CB 4.23Å; I167-A182 HydrophobicContact CG1-CB 4.06Å; I167-L185 HydrophobicContact CD1-CD1 3.94Å; I167-L185 HydrophobicContact CG1-CD1 4.45Å; I167-V187 HydrophobicContact CD1-CG2 4.34Å; I167-V187 HydrophobicContact CG1-CG2 3.78Å; I167-D188 PolarHBondContact N-O 2.53Å; I167-F189 CarbonylContact O-C 3.35Å; I167-F189 WeakPolarHBondContact O-CA 3.44Å; I167-F189 WeakPolarHBondContact O-CB 3.49Å; I167-A190 PolarHBondContact O-N 2.77Å; I167-I217 HydrophobicContact CD1-CB 4.01Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.39Å; I167-V219 HydrophobicContact CG2-CB 4.36Å; I167-V219 HydrophobicContact CG2-CG2 3.74Å
168V98.1Very high94.8Very high0 Ų047.9 Ų47.90%027%0.265CS..EExtended strand (participates in β ladder)trans-116.1130.5-170.1-170.60000111.4A190 I192 L207 V211 A216 I217 L218 V219 L236V168-A190 WeakPolarHBondContact CA-O 3.13Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.2Å; V168-I192 HydrophobicContact CG1-CD1 3.98Å; V168-I192 HydrophobicContact CG1-CG1 4.08Å; V168-L207 HydrophobicContact CG1-CD1 4.47Å; V168-V211 HydrophobicContact CG2-CG1 4.26Å; V168-A216 HydrophobicContact CG2-CB 4.03Å; V168-I217 PolarHBondContact N-O 2.66Å; V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.37Å; V168-L218 HydrophobicContact CG1-CD2 3.76Å; V168-L218 CarbonylContact O-C 3.49Å; V168-L218 WeakPolarHBondContact O-CA 3.32Å; V168-V219 PolarHBondContact O-N 3.46Å; V168-L236 HydrophobicContact CB-CD1 4.32Å; V168-L236 HydrophobicContact CG1-CD1 4.22Å; V168-L236 HydrophobicContact CG1-CD2 4.06Å; V168-L236 HydrophobicContact CG2-CD1 4.2Å; V168-L236 HydrophobicContact CG2-CD2 3.98Å
169S96.7Very high94.7Very high0 Ų046.3 Ų46.30%026%0.257CS..EExtended strand (participates in β ladder)trans-88.3130.3169.3-172.60000110.3D171 G174 A190 I192S169-D171 WeakPolarHBondContact CB-O 3.29Å; S169-D171 PolarHBondContact O-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.83Å; S169-G174 VanDerWaalsContact OG-C 3.25Å; S169-G174 WeakPolarHBondContact OG-CA 3.42Å; S169-A190 PolarHBondContact N-O 3.2Å; S169-I192 PolarHBondContact O-N 3.28Å
170P93.8Very high94.6Very high1 Ų148.1 Ų48.11%0.00627%0.27CS..SBendtrans-71.1-18.3177.328.9-34.5000113.3L218 V219 D220 T228 I229 A232P170-L218 HydrophobicContact CB-CD2 4.17Å; P170-V219 VanDerWaalsContact CD-O 3.24Å; P170-V219 WeakPolarHBondContact CD-O 3.43Å; P170-D220 HydrophobicContact CG-CB 3.9Å; P170-T228 HydrophobicContact CB-CG2 4.3Å; P170-I229 HydrophobicContact CB-CG2 4.45Å; P170-A232 HydrophobicContact CB-CB 4.49Å
171D90.1Very high94.6Very high61 Ų6143.4 Ų43.433%0.32624%0.24SC..SBendtrans-145179175.96937.1000112.6S169 G173 G174 I192S169-D171 WeakPolarHBondContact CB-O 3.29Å; S169-D171 PolarHBondContact O-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.83Å; D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.46Å; D171-G173 PolarHBondContact OD1-N 3.16Å; D171-G174 PolarHBondContact OD1-N 3.08Å; D171-I192 CarbonylContact C-O 3.58Å; D171-I192 WeakPolarHBondContact CA-O 3.37Å
172A88.3Confident94.6Very high53 Ų5340.2 Ų40.244%0.43822%0.224SC..SBendtrans-73.5-22.317900000114.2L191A172-L191 HydrophobicContact CB-CD2 4.45Å
173G86.7Confident94.6Very high69 Ų6943.5 Ų43.571%0.71125%0.246SC*.THydrogen-bonded Turntrans-71.8-33.8-179.500000112.4D171 A175D171-G173 VanDerWaalsContact C-N 3.34Å; D171-G173 WeakPolarHBondContact OD1-CA 3.46Å; D171-G173 PolarHBondContact OD1-N 3.16Å; G173-A175 VanDerWaalsContact C-N 3.25Å; G173-A175 PolarHBondContact O-N 2.93Å
174G90.4Very high94.5Very high2 Ų240.8 Ų40.82%0.02124%0.236CC..THydrogen-bonded Turntrans-75.5-0.2178.300000115.8S169 D171 K176 R177 V178S169-G174 VanDerWaalsContact OG-C 3.25Å; S169-G174 WeakPolarHBondContact OG-CA 3.42Å; D171-G174 PolarHBondContact OD1-N 3.08Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.11Å; G174-R177 WeakPolarHBondContact O-CB 3.2Å; G174-R177 PolarHBondContact O-N 3.13Å; G174-V178 PolarHBondContact O-N 3.13Å; G174-V178 VanDerWaalsContact O-N 3.12Å
175A93.1Very high94.5Very high29 Ų2935.4 Ų35.424%0.2421%0.207CC..Hα-helixtrans-53.1-45-174.300000113.8G173 R177 V178 T179 L191G173-A175 VanDerWaalsContact C-N 3.25Å; G173-A175 PolarHBondContact O-N 2.93Å; A175-R177 VanDerWaalsContact C-N 3.31Å; A175-R177 PolarHBondContact O-N 2.91Å; A175-V178 VanDerWaalsContact O-CG2 3.32Å; A175-V178 WeakPolarHBondContact O-CG2 3.41Å; A175-T179 WeakPolarHBondContact O-CB 3.27Å; A175-T179 WeakPolarHBondContact O-CG2 3.48Å; A175-T179 PolarHBondContact O-N 3.41Å; A175-T179 VanDerWaalsContact O-N 3.11Å; A175-T179 PolarHBondContact O-OG1 3.48Å; A175-L191 HydrophobicContact CB-CD1 3.59Å
176K92.7Very high94.4Very high181 Ų18142.3 Ų42.379%0.78724%0.244SC*.Hα-helixtrans-66.1-33.9179.2-71.2-172.9177.4-1750112.8G174 T179 S180G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.11Å; K176-T179 WeakPolarHBondContact CA-OG1 3.32Å; K176-T179 PolarHBondContact O-OG1 3.23Å; K176-T179 VanDerWaalsContact O-OG1 3.08Å; K176-S180 WeakPolarHBondContact O-CB 3.39Å; K176-S180 PolarHBondContact O-N 2.89Å
177R93.4Very high94.4Very high54 Ų5443.1 Ų43.120%0.20425%0.249CC..Hα-helixtrans-69.1-47.2-179.6-172.9-177.2-56.8124-0.2110.6G174 A175 S180 I181 V219 D220 D221G174-R177 WeakPolarHBondContact O-CB 3.2Å; G174-R177 PolarHBondContact O-N 3.13Å; A175-R177 VanDerWaalsContact C-N 3.31Å; A175-R177 PolarHBondContact O-N 2.91Å; R177-S180 PolarHBondContact O-N 3.39Å; R177-I181 HydrophobicContact CG-CD1 4.39Å; R177-I181 WeakPolarHBondContact O-CG1 3.49Å; R177-I181 PolarHBondContact O-N 3.48Å; R177-V219 HydrophobicContact CG-CG1 4.39Å; R177-D220 IonicContact NH1-OD1 2.88Å; R177-D220 PolarHBondContact NH1-OD1 2.66Å; R177-D220 VanDerWaalsContact NH1-OD1 3.12Å; R177-D221 IonicContact CZ-OD1 2.76Å; R177-D221 IonicContact NH1-OD1 3.51Å; R177-D221 PolarHBondContact NH1-OD1 2.99Å; R177-D221 VanDerWaalsContact NH2-CB 3.29Å; R177-D221 IonicContact NH2-OD1 2.78Å; R177-D221 PolarHBondContact NH2-OD1 3.12Å
178V96Very high94.4Very high0 Ų047.6 Ų47.60%027%0.272CS..Hα-helixtrans-71.1-36.1-178.1-58.30000112.8I167 G174 A175 I181 A182 F189 V219I167-V178 HydrophobicContact CG2-CB 3.75Å; I167-V178 HydrophobicContact CG2-CG1 4.03Å; G174-V178 PolarHBondContact O-N 3.13Å; G174-V178 VanDerWaalsContact O-N 3.12Å; A175-V178 VanDerWaalsContact O-CG2 3.32Å; A175-V178 WeakPolarHBondContact O-CG2 3.41Å; V178-I181 PolarHBondContact O-N 2.92Å; V178-A182 WeakPolarHBondContact O-CB 3.47Å; V178-A182 PolarHBondContact O-N 2.87Å; V178-F189 HydrophobicContact CG2-CB 4.49Å; V178-F189 HydrophobicContact CG2-CD2 4.37Å; V178-V219 HydrophobicContact CG1-CB 4.14Å
179T95.8Very high94.4Very high38 Ų3852.2 Ų52.223%0.23329%0.293CS..Hα-helixtrans-65.3-43.7175.6440000111.6A175 K176 I181 A182 D183 F189A175-T179 WeakPolarHBondContact O-CB 3.27Å; A175-T179 WeakPolarHBondContact O-CG2 3.48Å; A175-T179 PolarHBondContact O-N 3.41Å; A175-T179 VanDerWaalsContact O-N 3.11Å; A175-T179 PolarHBondContact O-OG1 3.48Å; K176-T179 WeakPolarHBondContact CA-OG1 3.32Å; K176-T179 PolarHBondContact O-OG1 3.23Å; K176-T179 VanDerWaalsContact O-OG1 3.08Å; T179-I181 PolarHBondContact O-N 2.97Å; T179-A182 PolarHBondContact O-N 3.48Å; T179-D183 WeakPolarHBondContact O-CB 3.47Å; T179-D183 PolarHBondContact O-N 3.26Å; T179-F189 HydrophobicContact CG2-CD1 3.85Å; T179-F189 HydrophobicContact CG2-CD2 3.77Å; T179-F189 HydrophobicContact CG2-CE1 3.75Å; T179-F189 HydrophobicContact CG2-CE2 3.66Å; T179-F189 HydrophobicContact CG2-CG 3.87Å; T179-F189 HydrophobicContact CG2-CZ 3.65Å
180S94.8Very high94.4Very high40 Ų4052.2 Ų52.228%0.2829%0.293SS..Hα-helixtrans-56.1-48.5174.7-1720000112.3E148 K176 R177 D183 Q184E148-S180 WeakPolarHBondContact OE1-CB 3.49Å; E148-S180 PolarHBondContact OE1-OG 3.1Å; E148-S180 PolarHBondContact OE2-OG 3.15Å; K176-S180 WeakPolarHBondContact O-CB 3.39Å; K176-S180 PolarHBondContact O-N 2.89Å; R177-S180 PolarHBondContact O-N 3.39Å; S180-D183 PolarHBondContact O-N 3.42Å; S180-Q184 WeakPolarHBondContact O-CG 3.31Å; S180-Q184 PolarHBondContact O-N 3.06Å; S180-Q184 VanDerWaalsContact O-N 3.08Å
181I96.4Very high94.5Very high4 Ų453.6 Ų53.62%0.02130%0.3CS..Hα-helixtrans-66-43.2179.4-66.1167000111.1E148 I152 I167 R177 V178 T179 Q184 L185 V219E148-I181 HydrophobicContact CG-CG1 3.91Å; E148-I181 PolarHBondContact OE1-N 3.28Å; I152-I181 HydrophobicContact CG1-CG2 4.23Å; I167-I181 HydrophobicContact CD1-CG2 4.25Å; I167-I181 HydrophobicContact CG1-CG2 4.19Å; I167-I181 HydrophobicContact CG2-CB 4.44Å; I167-I181 HydrophobicContact CG2-CG2 4.31Å; R177-I181 HydrophobicContact CG-CD1 4.39Å; R177-I181 WeakPolarHBondContact O-CG1 3.49Å; R177-I181 PolarHBondContact O-N 3.48Å; V178-I181 PolarHBondContact O-N 2.92Å; T179-I181 PolarHBondContact O-N 2.97Å; I181-Q184 PolarHBondContact O-N 2.78Å; I181-L185 HydrophobicContact CG2-CD1 3.87Å; I181-L185 HydrophobicContact CG2-CG 4.44Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CG 3.34Å; I181-L185 PolarHBondContact O-N 3.47Å; I181-V219 HydrophobicContact CD1-CB 4.43Å; I181-V219 HydrophobicContact CD1-CG1 3.69Å; I181-V219 HydrophobicContact CD1-CG2 4.38Å
182A97.1Very high94.7Very high0 Ų050.7 Ų50.70%028%0.284CS..Hα-helixtrans-62-43.4179.100000111.6I167 V178 T179 L185 N186 V187 F189I167-A182 HydrophobicContact CB-CB 4.23Å; I167-A182 HydrophobicContact CG1-CB 4.06Å; V178-A182 WeakPolarHBondContact O-CB 3.47Å; V178-A182 PolarHBondContact O-N 2.87Å; T179-A182 PolarHBondContact O-N 3.48Å; A182-L185 CarbonylContact O-C 3.55Å; A182-L185 PolarHBondContact O-N 3.18Å; A182-N186 WeakPolarHBondContact O-CA 3.24Å; A182-N186 PolarHBondContact O-N 3.24Å; A182-V187 HydrophobicContact CB-CG2 4.17Å; A182-V187 PolarHBondContact O-N 3.42Å; A182-F189 HydrophobicContact CB-CB 3.89Å
183D96.2Very high94.7Very high121 Ų12152.3 Ų52.365%0.64728%0.283SS*.Hα-helixtrans-62.9-43.9176.9-70.6-15000111.4T179 S180 L185 N186T179-D183 WeakPolarHBondContact O-CB 3.47Å; T179-D183 PolarHBondContact O-N 3.26Å; S180-D183 PolarHBondContact O-N 3.42Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 2.87Å; D183-N186 PolarHBondContact O-N 2.98Å; D183-N186 VanDerWaalsContact O-N 3.13Å
184Q94.6Very high94.5Very high84 Ų8452.7 Ų52.739%0.39327%0.265SS..Hα-helixtrans-68.3-28.5177.6-70.3-166.232.100113.6E148 I152 S180 I181E148-Q184 PolarHBondContact OE1-NE2 2.98Å; I152-Q184 HydrophobicContact CD1-CB 3.65Å; I152-Q184 HydrophobicContact CD1-CG 4.22Å; S180-Q184 WeakPolarHBondContact O-CG 3.31Å; S180-Q184 PolarHBondContact O-N 3.06Å; S180-Q184 VanDerWaalsContact O-N 3.08Å; I181-Q184 PolarHBondContact O-N 2.78Å
185L95.9Very high93.9Very high7 Ų756.9 Ų56.94%0.03728%0.284CS..Hα-helixtrans-85.4-14.2173-69.6178.2000112.6I152 V155 K156 W162 I167 I181 A182 D183 V187I152-L185 HydrophobicContact CG1-CD2 4.4Å; I152-L185 HydrophobicContact CG1-CG 4.4Å; I152-L185 HydrophobicContact CG2-CD2 3.82Å; V155-L185 HydrophobicContact CG1-CD1 4.04Å; K156-L185 HydrophobicContact CD-CD2 4.35Å; K156-L185 VanDerWaalsContact CE-CD2 3.46Å; K156-L185 HydrophobicContact CG-CD2 4.05Å; W162-L185 HydrophobicContact CE3-CD2 4.02Å; W162-L185 HydrophobicContact CZ3-CD2 4.11Å; I167-L185 HydrophobicContact CD1-CD1 3.94Å; I167-L185 HydrophobicContact CG1-CD1 4.45Å; I181-L185 HydrophobicContact CG2-CD1 3.87Å; I181-L185 HydrophobicContact CG2-CG 4.44Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 WeakPolarHBondContact O-CG 3.34Å; I181-L185 PolarHBondContact O-N 3.47Å; A182-L185 CarbonylContact O-C 3.55Å; A182-L185 PolarHBondContact O-N 3.18Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 2.87Å; L185-V187 HydrophobicContact CB-CB 4.49Å; L185-V187 HydrophobicContact CB-CG1 4.03Å; L185-V187 HydrophobicContact CB-CG2 3.8Å; L185-V187 HydrophobicContact CD1-CG2 4.44Å
186N96.9Very high92.7Very high145 Ų14565.5 Ų65.578%0.77531%0.31SS*.THydrogen-bonded Turntrans53.152.7-169.3-171.175000112A182 D183A182-N186 WeakPolarHBondContact O-CA 3.24Å; A182-N186 PolarHBondContact O-N 3.24Å; D183-N186 PolarHBondContact O-N 2.98Å; D183-N186 VanDerWaalsContact O-N 3.13Å
187V97.6Very high91Very high17 Ų1762.1 Ų62.110%0.10330%0.296CS..  trans-129.3171.6178.5-58.10000110.6W162 I167 A182 L185W162-V187 WeakPolarHBondContact O-CG1 3.45Å; I167-V187 HydrophobicContact CD1-CG2 4.34Å; I167-V187 HydrophobicContact CG1-CG2 3.78Å; A182-V187 HydrophobicContact CB-CG2 4.17Å; A182-V187 PolarHBondContact O-N 3.42Å; L185-V187 HydrophobicContact CB-CB 4.49Å; L185-V187 HydrophobicContact CB-CG1 4.03Å; L185-V187 HydrophobicContact CB-CG2 3.8Å; L185-V187 HydrophobicContact CD1-CG2 4.44Å
188D97.4Very high89Confident93 Ų9370.6 Ų70.650%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-79.7162.5177.5-59.9-50.2000112.1C166 I167 R214C166-D188 WeakPolarHBondContact CA-O 3.42Å; I167-D188 PolarHBondContact N-O 2.53Å; D188-R214 IonicContact OD2-CZ 3.21Å; D188-R214 IonicContact OD2-NH1 2.68Å; D188-R214 PolarHBondContact OD2-NH1 2.9Å; D188-R214 IonicContact OD2-NH2 2.86Å; D188-R214 PolarHBondContact OD2-NH2 3.22Å
189F97.7Very high86.6Confident97 Ų9775.2 Ų75.243%0.42537%0.365SS..EExtended strand (participates in β ladder)trans-126.2155.3171.674.5-83.7000111.8C166 I167 V178 T179 A182C166-F189 VanDerWaalsContact SG-C 3.59Å; I167-F189 CarbonylContact O-C 3.35Å; I167-F189 WeakPolarHBondContact O-CA 3.44Å; I167-F189 WeakPolarHBondContact O-CB 3.49Å; V178-F189 HydrophobicContact CG2-CB 4.49Å; V178-F189 HydrophobicContact CG2-CD2 4.37Å; T179-F189 HydrophobicContact CG2-CD1 3.85Å; T179-F189 HydrophobicContact CG2-CD2 3.77Å; T179-F189 HydrophobicContact CG2-CE1 3.75Å; T179-F189 HydrophobicContact CG2-CE2 3.66Å; T179-F189 HydrophobicContact CG2-CG 3.87Å; T179-F189 HydrophobicContact CG2-CZ 3.65Å; A182-F189 HydrophobicContact CB-CB 3.89Å
190A97.3Very high84.5Confident0 Ų081.5 Ų81.50%040%0.398CS..EExtended strand (participates in β ladder)trans-133.2163.9171.100000110.7I167 V168 S169 L207 V208 V211I167-A190 PolarHBondContact O-N 2.77Å; V168-A190 WeakPolarHBondContact CA-O 3.13Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.2Å; S169-A190 PolarHBondContact N-O 3.2Å; A190-L207 HydrophobicContact CB-CD1 4.02Å; A190-V208 CarbonylContact C-O 3.51Å; A190-V208 VanDerWaalsContact CA-O 3.25Å; A190-V208 WeakPolarHBondContact CA-O 3.46Å; A190-V208 WeakPolarHBondContact CB-O 3.43Å; A190-V211 HydrophobicContact CB-CG1 3.94Å
191L96.2Very high82.5Confident31 Ų3185.2 Ų85.216%0.16241%0.41CS..EExtended strand (participates in β ladder)trans-136.8132.4-176.8-169.8148.9000110.1A172 A175 H193 V208A172-L191 HydrophobicContact CB-CD2 4.45Å; A175-L191 HydrophobicContact CB-CD1 3.59Å; L191-H193 HydrophobicContact CD2-CB 4.2Å; L191-V208 PolarHBondContact N-O 2.8Å; L191-V208 PolarHBondContact O-N 3.44Å
192I93.8Very high80.5Confident0 Ų091.7 Ų91.70%045%0.45CS..EExtended strand (participates in β ladder)trans-97.6125.2171.2-64.8169.2000108.2V168 S169 D171 M205 V206 L207 L218 A232 L236V168-I192 HydrophobicContact CG1-CD1 3.98Å; V168-I192 HydrophobicContact CG1-CG1 4.08Å; S169-I192 PolarHBondContact O-N 3.28Å; D171-I192 CarbonylContact C-O 3.58Å; D171-I192 WeakPolarHBondContact CA-O 3.37Å; I192-M205 HydrophobicContact CG2-CB 3.99Å; I192-M205 HydrophobicContact CG2-CG 4.08Å; I192-M205 HydrophobicContact CG2-SD 3.88Å; I192-V206 CarbonylContact C-O 3.5Å; I192-V206 WeakPolarHBondContact CA-O 3.29Å; I192-L207 HydrophobicContact CD1-CD1 4.43Å; I192-L207 HydrophobicContact CG1-CD1 3.66Å; I192-L218 HydrophobicContact CD1-CD2 4.23Å; I192-A232 HydrophobicContact CD1-CB 3.53Å; I192-L236 HydrophobicContact CD1-CD2 4.47Å; I192-L236 HydrophobicContact CD1-CG 4.24Å
193H89.1Confident79.1Confident86 Ų8694.6 Ų94.640%0.39847%0.465SS..EExtended strand (participates in β ladder)trans-110.2123.5172.3-173.566.3000109.7L191 E195 M205 V206L191-H193 HydrophobicContact CD2-CB 4.2Å; H193-E195 PolarHBondContact O-N 2.63Å; H193-M205 WeakPolarHBondContact O-CA 3.24Å; H193-V206 PolarHBondContact N-O 3.05Å; H193-V206 PolarHBondContact O-N 3.38Å
194K81.4Confident78.3Confident77 Ų7797.4 Ų97.434%0.33547%0.467SS..EExtended strand (participates in β ladder)trans-88.1104.5173.5-164.9-176.2-163.4-155.30109.6R196 D203 M205K194-R196 PolarHBondContact O-N 3.15Å; K194-D203 HydrophobicContact CD-CB 4.42Å; K194-D203 VanDerWaalsContact CE-CB 3.44Å; K194-D203 WeakPolarHBondContact CE-OD2 3.49Å; K194-D203 HydrophobicContact CG-CB 4.27Å; K194-D203 IonicContact NZ-OD2 2.73Å; K194-D203 PolarHBondContact NZ-OD2 3.14Å; K194-M205 HydrophobicContact CD-CE 4.39Å; K194-M205 HydrophobicContact CG-CG 4.31Å
195E78.5Confident77.7Confident91 Ų9194.5 Ų94.543%0.42545%0.454SS..EExtended strand (participates in β ladder)trans-73.7107.4167-74.5-167.2154.700108.8H193 K197 R204H193-E195 PolarHBondContact O-N 2.63Å; E195-K197 PolarHBondContact O-N 3.05Å; E195-R204 PolarHBondContact N-O 3.39Å; E195-R204 PolarHBondContact O-N 3.04Å
196R67.3Low77.4Confident209 Ų20997 Ų9779%0.78947%0.469SS*.  trans-80.7111.3170.2-65.1-172.3-173.2-175.52.1108.9K194 D203K194-R196 PolarHBondContact O-N 3.15Å; R196-D203 WeakPolarHBondContact CA-OD1 3.37Å
197K57.8Low77.2Confident111 Ų11192 Ų9248%0.48344%0.442SS..PPolyproline II helixtrans-91.2166.4172-75.8-164.8177.1-178.90110.9E195 E201E195-K197 PolarHBondContact O-N 3.05Å; K197-E201 HydrophobicContact CB-CB 4.03Å; K197-E201 HydrophobicContact CD-CB 4.38Å; K197-E201 WeakPolarHBondContact CD-OE2 3.49Å; K197-E201 IonicContact NZ-OE2 2.74Å; K197-E201 PolarHBondContact NZ-OE2 3.31Å
198R51.3Low77.1Confident232 Ų23295.5 Ų95.588%0.87546%0.464SS*.SBendtrans-57159-178-71.7-178.9178.3176.9-0.3111.4N200 E201R198-N200 PolarHBondContact O-N 3.07Å; R198-E201 PolarHBondContact O-N 2.87Å
199A46Very low77Confident96 Ų9693.3 Ų93.379%0.79346%0.463SS*.THydrogen-bonded Turntrans-46.5127.2177.700000111.5
200N52.1Low76.8Confident171 Ų17193.4 Ų93.491%0.91447%0.468SS*.THydrogen-bonded Turntrans92.54.6-177.7-55.5-23.4000118.4R198R198-N200 PolarHBondContact O-N 3.07Å
201E52.3Low76.8Confident117 Ų11793.5 Ų93.555%0.54747%0.468SS..SBendtrans-109.2142.6164.6-76.4-173.8-158.200111.3K197 R198 D203K197-E201 HydrophobicContact CB-CB 4.03Å; K197-E201 HydrophobicContact CD-CB 4.38Å; K197-E201 WeakPolarHBondContact CD-OE2 3.49Å; K197-E201 IonicContact NZ-OE2 2.74Å; K197-E201 PolarHBondContact NZ-OE2 3.31Å; R198-E201 PolarHBondContact O-N 2.87Å; E201-D203 PolarHBondContact O-N 2.64Å
202V54.3Low76.8Confident141 Ų14195.8 Ų95.886%0.85548%0.481SS*.PPolyproline II helixtrans-67.9123.4175.9-176.50000108.3R204V202-R204 PolarHBondContact O-N 3.24Å
203D67.5Low77Confident60 Ų60101.9 Ų101.932%0.32151%0.513SS..PPolyproline II helixtrans-54.3133176.6-70.5-26000110.5K194 R196 E201K194-D203 HydrophobicContact CD-CB 4.42Å; K194-D203 VanDerWaalsContact CE-CB 3.44Å; K194-D203 WeakPolarHBondContact CE-OD2 3.49Å; K194-D203 HydrophobicContact CG-CB 4.27Å; K194-D203 IonicContact NZ-OD2 2.73Å; K194-D203 PolarHBondContact NZ-OD2 3.14Å; R196-D203 WeakPolarHBondContact CA-OD1 3.37Å; E201-D203 PolarHBondContact O-N 2.64Å
204R78.8Confident77.3Confident181 Ų18199.8 Ų99.868%0.68350%0.502SS*.EExtended strand (participates in β ladder)trans-101.3131.8-179.2-145.9178.8-171.1-167.71.9109.8E195 V202E195-R204 PolarHBondContact N-O 3.39Å; E195-R204 PolarHBondContact O-N 3.04Å; V202-R204 PolarHBondContact O-N 3.24Å
205M82.1Confident78.1Confident23 Ų2396.2 Ų96.211%0.11349%0.486CS..EExtended strand (participates in β ladder)trans-96.4125.9170.3-72.8-170.8-179.200109.8I192 H193 K194 T228 T231 K235I192-M205 HydrophobicContact CG2-CB 3.99Å; I192-M205 HydrophobicContact CG2-CG 4.08Å; I192-M205 HydrophobicContact CG2-SD 3.88Å; H193-M205 WeakPolarHBondContact O-CA 3.24Å; K194-M205 HydrophobicContact CD-CE 4.39Å; K194-M205 HydrophobicContact CG-CG 4.31Å; M205-T228 HydrophobicContact CE-CG2 4.39Å; M205-T231 HydrophobicContact CE-CG2 3.66Å; M205-T231 HydrophobicContact SD-CG2 3.67Å; M205-K235 HydrophobicContact CB-CG 4.41Å
206V90Very high79.1Confident59 Ų5991.9 Ų91.936%0.35847%0.466SS..EExtended strand (participates in β ladder)trans-106.3126.1175.6-178.80000108I192 H193 V208I192-V206 CarbonylContact C-O 3.5Å; I192-V206 WeakPolarHBondContact CA-O 3.29Å; H193-V206 PolarHBondContact N-O 3.05Å; H193-V206 PolarHBondContact O-N 3.38Å; V206-V208 HydrophobicContact CG1-CG2 4.41Å
207L93.7Very high80.6Confident40 Ų4081.9 Ų81.921%0.20943%0.429CS..EExtended strand (participates in β ladder)trans-93.4129.8172.4-179.667.9000109V168 A190 I192 V211 L236 A239V168-L207 HydrophobicContact CG1-CD1 4.47Å; A190-L207 HydrophobicContact CB-CD1 4.02Å; I192-L207 HydrophobicContact CD1-CD1 4.43Å; I192-L207 HydrophobicContact CG1-CD1 3.66Å; L207-V211 HydrophobicContact CD2-CG1 4.23Å; L207-V211 HydrophobicContact CD2-CG2 3.64Å; L207-L236 HydrophobicContact CD1-CD2 3.99Å; L207-L236 HydrophobicContact CD2-CD2 4.2Å; L207-A239 HydrophobicContact CD2-CB 3.61Å
208V94.5Very high82.5Confident91 Ų9176.7 Ų76.755%0.55241%0.406SS*.EExtended strand (participates in β ladder)trans-117118.4172.9-177.60000107.9A190 L191 V206A190-V208 CarbonylContact C-O 3.51Å; A190-V208 VanDerWaalsContact CA-O 3.25Å; A190-V208 WeakPolarHBondContact CA-O 3.46Å; A190-V208 WeakPolarHBondContact CB-O 3.43Å; L191-V208 PolarHBondContact N-O 2.8Å; L191-V208 PolarHBondContact O-N 3.44Å; V206-V208 HydrophobicContact CG1-CG2 4.41Å
209G94.3Very high84.7Confident47 Ų4766 Ų6649%0.48537%0.366SS..SBendtrans119167.6-171.900000111.6
210D94.9Very high87.1Confident98 Ų9862.3 Ų62.352%0.52433%0.333SS..  trans-106.9127.9-179.9-172.414.3000111.1N212D210-N212 VanDerWaalsContact OD1-CB 3.32Å; D210-N212 WeakPolarHBondContact OD1-CB 3.29Å; D210-N212 PolarHBondContact OD1-N 2.83Å
211V96.6Very high89.2Confident2 Ų254.3 Ų54.31%0.01229%0.291CS..  trans-127.42.8179.5-56.80000111.7C166 V168 A190 L207 N213 R214 L236 A239 A241C166-V211 HydrophobicContact CB-CG1 4.27Å; V168-V211 HydrophobicContact CG2-CG1 4.26Å; A190-V211 HydrophobicContact CB-CG1 3.94Å; L207-V211 HydrophobicContact CD2-CG1 4.23Å; L207-V211 HydrophobicContact CD2-CG2 3.64Å; V211-N213 PolarHBondContact O-N 2.81Å; V211-R214 PolarHBondContact O-N 3.33Å; V211-L236 HydrophobicContact CB-CD2 4.23Å; V211-L236 HydrophobicContact CG1-CD2 3.8Å; V211-L236 HydrophobicContact CG2-CD2 3.97Å; V211-A239 HydrophobicContact CG2-CB 3.65Å; V211-A241 HydrophobicContact CB-CB 4.5Å; V211-A241 HydrophobicContact CG2-CB 4.38Å; V211-A241 WeakPolarHBondContact O-CA 3.32Å
212N96.9Very high91.3Very high80 Ų8049.3 Ų49.343%0.42827%0.267SS..THydrogen-bonded Turntrans-68.5130.4-172.5-177.243.1000111.2D210 R214D210-N212 VanDerWaalsContact OD1-CB 3.32Å; D210-N212 WeakPolarHBondContact OD1-CB 3.29Å; D210-N212 PolarHBondContact OD1-N 2.83Å; N212-R214 PolarHBondContact O-N 3.49Å
213N96.8Very high93.2Very high127 Ų12742.8 Ų42.868%0.67923%0.228SC*.THydrogen-bonded Turntrans54.232.9-174.7-59.7-46.6000114V211 G240V211-N213 PolarHBondContact O-N 2.81Å; N213-G240 PolarHBondContact N-O 2.92Å
214R97.1Very high94.6Very high42 Ų4242 Ų4216%0.15822%0.224CC..SBendtrans-129.5157.1179.1-64.4172.671.2167.312111.4D164 C165 D188 V211 N212 A216 A241 E242D164-R214 PolarHBondContact O-NE 3.3Å; D164-R214 PolarHBondContact O-NH2 3.09Å; C165-R214 PolarHBondContact O-NH2 2.69Å; D188-R214 IonicContact OD2-CZ 3.21Å; D188-R214 IonicContact OD2-NH1 2.68Å; D188-R214 PolarHBondContact OD2-NH1 2.9Å; D188-R214 IonicContact OD2-NH2 2.86Å; D188-R214 PolarHBondContact OD2-NH2 3.22Å; V211-R214 PolarHBondContact O-N 3.33Å; N212-R214 PolarHBondContact O-N 3.49Å; R214-A216 PolarHBondContact O-N 3Å; R214-A241 WeakPolarHBondContact O-CA 3.15Å; R214-E242 PolarHBondContact O-N 3.12Å
215V98.2Very high95.4Very high2 Ų236.1 Ų36.11%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-72.3122.3166.51760000108.5I159 E161 C165 C166 I217 Y245I159-V215 HydrophobicContact CG2-CG1 4.03Å; E161-V215 HydrophobicContact CB-CG2 3.97Å; E161-V215 HydrophobicContact CG-CG2 4.46Å; C165-V215 CarbonylContact C-O 3.52Å; C165-V215 VanDerWaalsContact CA-O 3.23Å; C165-V215 WeakPolarHBondContact CA-O 3.5Å; C165-V215 HydrophobicContact CB-CB 4.09Å; C165-V215 HydrophobicContact CB-CG1 4.4Å; C165-V215 VanDerWaalsContact CB-O 3.32Å; C165-V215 WeakPolarHBondContact CB-O 3.27Å; C166-V215 PolarHBondContact N-O 2.98Å; V215-I217 HydrophobicContact CG1-CG1 4.21Å; V215-Y245 HydrophobicContact CG1-CD2 3.59Å; V215-Y245 HydrophobicContact CG1-CE2 3.63Å
216A98.3Very high96Very high0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-101.4129.9175.500000110.4C166 V168 R214 L236 A241 R243 V244 Y245C166-A216 WeakPolarHBondContact O-CA 3.31Å; V168-A216 HydrophobicContact CG2-CB 4.03Å; R214-A216 PolarHBondContact O-N 3Å; A216-L236 HydrophobicContact CB-CB 4.45Å; A216-L236 HydrophobicContact CB-CD1 3.91Å; A216-L236 HydrophobicContact CB-CD2 4.21Å; A216-L236 HydrophobicContact CB-CG 4.43Å; A216-A241 HydrophobicContact CB-CB 3.94Å; A216-R243 PolarHBondContact N-O 3.37Å; A216-V244 HydrophobicContact CB-CG2 4.46Å; A216-V244 WeakPolarHBondContact O-CA 3.39Å; A216-Y245 PolarHBondContact O-N 2.99Å
217I98.4Very high96.1Very high0 Ų033.4 Ų33.40%020%0.197CC..EExtended strand (participates in β ladder)trans-116.5101.3-179.4-52176.4000108V155 I159 C165 C166 I167 V168 V215 V219 I247V155-I217 HydrophobicContact CG1-CD1 3.83Å; V155-I217 HydrophobicContact CG2-CD1 4.14Å; I159-I217 HydrophobicContact CD1-CD1 3.48Å; I159-I217 VanDerWaalsContact CD1-CD1 3.48Å; I159-I217 HydrophobicContact CD1-CG1 3.96Å; C165-I217 HydrophobicContact CB-CD1 4.11Å; C165-I217 HydrophobicContact CB-CG1 4.47Å; C166-I217 PolarHBondContact O-N 2.84Å; I167-I217 HydrophobicContact CD1-CB 4.01Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.39Å; V168-I217 PolarHBondContact N-O 2.66Å; V215-I217 HydrophobicContact CG1-CG1 4.21Å; I217-V219 HydrophobicContact CG2-CG2 4.04Å; I217-V219 PolarHBondContact O-N 2.93Å; I217-I247 HydrophobicContact CG2-CD1 3.63Å; I217-I247 HydrophobicContact CG2-CG1 3.83Å
218L97.9Very high96Very high2 Ų234.7 Ų34.71%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-68.2125.8172.2-80.7163.5000109.6V168 P170 I192 A232 A233 L236 V244 Y245 A246 I247 F266V168-L218 HydrophobicContact CB-CD2 3.89Å; V168-L218 HydrophobicContact CB-CG 4.37Å; V168-L218 HydrophobicContact CG1-CD2 3.76Å; V168-L218 CarbonylContact O-C 3.49Å; V168-L218 WeakPolarHBondContact O-CA 3.32Å; P170-L218 HydrophobicContact CB-CD2 4.17Å; I192-L218 HydrophobicContact CD1-CD2 4.23Å; L218-A232 HydrophobicContact CD1-CB 3.85Å; L218-A232 HydrophobicContact CD2-CB 3.99Å; L218-A233 HydrophobicContact CD1-CB 4.27Å; L218-L236 HydrophobicContact CD1-CD1 3.77Å; L218-L236 HydrophobicContact CD2-CD1 3.99Å; L218-L236 HydrophobicContact CG-CD1 3.64Å; L218-V244 HydrophobicContact CD1-CG1 4.05Å; L218-Y245 PolarHBondContact N-O 2.8Å; L218-A246 HydrophobicContact CB-CB 4.41Å; L218-A246 CarbonylContact O-C 3.57Å; L218-A246 WeakPolarHBondContact O-CA 3.42Å; L218-I247 PolarHBondContact O-N 3.44Å; L218-F266 HydrophobicContact CD1-CE1 3.96Å; L218-F266 HydrophobicContact CD1-CZ 4.33Å
219V97.8Very high96Very high6 Ų630.6 Ų30.64%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-123.4127.8176.7-175.70000110.9I167 V168 P170 R177 V178 I181 I217 I247I167-V219 HydrophobicContact CG2-CB 4.36Å; I167-V219 HydrophobicContact CG2-CG2 3.74Å; V168-V219 PolarHBondContact O-N 3.46Å; P170-V219 VanDerWaalsContact CD-O 3.24Å; P170-V219 WeakPolarHBondContact CD-O 3.43Å; R177-V219 HydrophobicContact CG-CG1 4.39Å; V178-V219 HydrophobicContact CG1-CB 4.14Å; I181-V219 HydrophobicContact CD1-CB 4.43Å; I181-V219 HydrophobicContact CD1-CG1 3.69Å; I181-V219 HydrophobicContact CD1-CG2 4.38Å; I217-V219 HydrophobicContact CG2-CG2 4.04Å; I217-V219 PolarHBondContact O-N 2.93Å; V219-I247 VanDerWaalsContact CA-O 3.32Å; V219-I247 WeakPolarHBondContact CA-O 3.35Å; V219-I247 HydrophobicContact CG2-CB 4.39Å
220D96.1Very high96Very high19 Ų1929 Ų2910%0.10216%0.163CC..EExtended strand (participates in β ladder)trans-139.1164.7176.6-153.50.3000111.3P170 R177 I247 C248 T249P170-D220 HydrophobicContact CG-CB 3.9Å; R177-D220 IonicContact NH1-OD1 2.88Å; R177-D220 PolarHBondContact NH1-OD1 2.66Å; R177-D220 VanDerWaalsContact NH1-OD1 3.12Å; D220-I247 PolarHBondContact N-O 3.28Å; D220-C248 VanDerWaalsContact O-CA 3.27Å; D220-C248 WeakPolarHBondContact O-CA 3.42Å; D220-T249 PolarHBondContact O-N 3.44Å
221D95.8Very high95.9Very high4 Ų427.7 Ų27.72%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-74.9-37.7172.949.3-62.9000111.4H130 R177 T249 H250H130-D221 WeakPolarHBondContact CA-OD2 3.27Å; H130-D221 IonicContact CE1-OD2 3.15Å; H130-D221 IonicContact CG-OD2 2.63Å; H130-D221 IonicContact ND1-OD1 3.2Å; H130-D221 IonicContact ND1-OD2 3.24Å; H130-D221 PolarHBondContact ND1-OD2 3.35Å; R177-D221 IonicContact CZ-OD1 2.76Å; R177-D221 IonicContact NH1-OD1 3.51Å; R177-D221 PolarHBondContact NH1-OD1 2.99Å; R177-D221 VanDerWaalsContact NH2-CB 3.29Å; R177-D221 IonicContact NH2-OD1 2.78Å; R177-D221 PolarHBondContact NH2-OD1 3.12Å; D221-T249 WeakPolarHBondContact O-CB 3.45Å; D221-T249 PolarHBondContact O-N 2.88Å; D221-T249 VanDerWaalsContact O-N 3.16Å; D221-H250 PolarHBondContact O-CD2 2.82Å; D221-H250 PolarHBondContact O-N 3.35Å
222M96.3Very high95.8Very high12 Ų1227.6 Ų27.66%0.05916%0.158CC..EExtended strand (participates in β ladder)trans-153.7135.1-175.155.717575.400114.5A95 R96 H130 H250 I252A95-M222 HydrophobicContact CB-CE 4.5Å; R96-M222 HydrophobicContact CG-SD 3.75Å; R96-M222 VanDerWaalsContact CZ-SD 3.56Å; R96-M222 PolarHBondContact NE-SD 3.1Å; R96-M222 VanDerWaalsContact NH2-CG 3.3Å; R96-M222 PolarHBondContact NH2-O 3.33Å; R96-M222 PolarHBondContact NH2-SD 2.88Å; H130-M222 HydrophobicContact CB-CE 4.09Å; M222-H250 VanDerWaalsContact CA-O 3.23Å; M222-H250 WeakPolarHBondContact CA-O 3.32Å; M222-H250 HydrophobicContact CB-CB 3.83Å; M222-I252 HydrophobicContact CB-CD1 4.34Å; M222-I252 HydrophobicContact SD-CD1 4.06Å
223A96.1Very high95.8Very high4 Ų423.8 Ų23.83%0.03314%0.138CC..EExtended strand (participates in β ladder)trans-109.1122.1174.300000110.8I229 C248 H250 I252 F253A223-I229 HydrophobicContact CB-CD1 3.85Å; A223-C248 HydrophobicContact CB-CB 4.14Å; A223-H250 PolarHBondContact N-O 3.5Å; A223-I252 WeakPolarHBondContact O-CA 3.37Å; A223-I252 WeakPolarHBondContact O-CB 3.39Å; A223-I252 PolarHBondContact O-N 2.79Å; A223-F253 HydrophobicContact CB-CD1 4.24Å; A223-F253 HydrophobicContact CB-CE1 3.72Å; A223-F253 PolarHBondContact O-N 2.9Å; A223-F253 VanDerWaalsContact O-N 3.1Å
224D96.2Very high95.7Very high43 Ų4321.5 Ų21.523%0.2313%0.125CC..SBendtrans-105-91.6-178.117917.3000111.9R96 C226 I252 F253 S254 A257R96-D224 IonicContact NH1-OD2 3.74Å; R96-D224 PolarHBondContact NH1-OD2 3Å; D224-C226 PolarHBondContact O-N 2.83Å; D224-I252 HydrophobicContact CB-CB 4.33Å; D224-I252 HydrophobicContact CB-CD1 4.39Å; D224-I252 HydrophobicContact CB-CG2 4.4Å; D224-F253 CarbonylContact O-C 3.57Å; D224-F253 WeakPolarHBondContact O-CA 3.35Å; D224-F253 PolarHBondContact O-N 2.93Å; D224-S254 PolarHBondContact O-N 2.91Å; D224-S254 VanDerWaalsContact O-N 3.15Å; D224-S254 VanDerWaalsContact OD1-CB 3.31Å; D224-S254 WeakPolarHBondContact OD1-CB 3.27Å; D224-S254 PolarHBondContact OD1-OG 2.75Å; D224-A257 VanDerWaalsContact O-CB 3.27Å; D224-A257 WeakPolarHBondContact O-CB 3.49Å
225T95Very high95.6Very high58 Ų5822.7 Ų22.736%0.35613%0.132SC..SBendtrans-79.90.3177660000113.5G227 R260T225-G227 PolarHBondContact O-N 3.31Å; T225-R260 VanDerWaalsContact O-CD 3.23Å; T225-R260 WeakPolarHBondContact O-CD 3.09Å; T225-R260 PolarHBondContact O-NH1 2.7Å; T225-R260 PolarHBondContact OG1-NH1 2.83Å
226C95.3Very high95.5Very high5 Ų522.6 Ų22.63%0.03413%0.131CC..  trans569.2-175.2-59.20000116.9D224 I229 C230 F253 A257 I261D224-C226 PolarHBondContact O-N 2.83Å; C226-I229 HydrophobicContact CB-CD1 3.9Å; C226-I229 HydrophobicContact CB-CG1 3.82Å; C226-I229 WeakPolarHBondContact O-CG1 3.23Å; C226-C230 WeakPolarHBondContact O-CB 3.44Å; C226-C230 PolarHBondContact O-N 2.68Å; C226-C230 PolarHBondContact O-SG 2.92Å; C226-F253 VanDerWaalsContact SG-CD1 3.52Å; C226-A257 HydrophobicContact CB-CB 4.3Å; C226-I261 HydrophobicContact CB-CG1 4.32Å
227G92.7Very high95.4Very high19 Ų1926 Ų2620%0.19615%0.149CC..Hα-helixtrans-60.7-52.3-178.100000112.8T225 I229 C230 T231T225-G227 PolarHBondContact O-N 3.31Å; G227-I229 PolarHBondContact O-N 3.25Å; G227-C230 PolarHBondContact O-N 3.2Å; G227-T231 PolarHBondContact O-N 3.15Å; G227-T231 VanDerWaalsContact O-N 3.12Å; G227-T231 PolarHBondContact O-OG1 3.02Å; G227-T231 VanDerWaalsContact O-OG1 3.1Å
228T90.5Very high95.3Very high68 Ų6832.6 Ų32.642%0.41718%0.179SC..Hα-helixtrans-60-48.4179.4-53.90000112P170 M205 C230 T231 A232P170-T228 HydrophobicContact CB-CG2 4.3Å; M205-T228 HydrophobicContact CE-CG2 4.39Å; T228-C230 PolarHBondContact O-N 2.8Å; T228-T231 PolarHBondContact O-N 2.86Å; T228-A232 VanDerWaalsContact O-CB 3.27Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 3.42Å
229I94.3Very high95.2Very high5 Ų534.4 Ų34.43%0.02620%0.195CC..Hα-helixtrans-68.2-35.9-176.163.6167.7000112.2P170 A223 C226 G227 A232 A233 F266P170-I229 HydrophobicContact CB-CG2 4.45Å; A223-I229 HydrophobicContact CB-CD1 3.85Å; C226-I229 HydrophobicContact CB-CD1 3.9Å; C226-I229 HydrophobicContact CB-CG1 3.82Å; C226-I229 WeakPolarHBondContact O-CG1 3.23Å; G227-I229 PolarHBondContact O-N 3.25Å; I229-A232 WeakPolarHBondContact O-CB 3.34Å; I229-A232 PolarHBondContact O-N 2.78Å; I229-A233 PolarHBondContact O-N 3.33Å; I229-F266 HydrophobicContact CB-CZ 4.23Å; I229-F266 HydrophobicContact CD1-CE2 4.28Å; I229-F266 HydrophobicContact CD1-CZ 4.37Å; I229-F266 HydrophobicContact CG1-CE2 4.37Å; I229-F266 HydrophobicContact CG1-CZ 4.3Å; I229-F266 WeakPolarHBondContact O-CZ 3.42Å
230C95.1Very high95.2Very high12 Ų1235.3 Ų35.38%0.08121%0.205CC..Hα-helixtrans-68.2-45.2176.8-69.80000111.2C226 G227 T228 A232 A233 D234C226-C230 WeakPolarHBondContact O-CB 3.44Å; C226-C230 PolarHBondContact O-N 2.68Å; C226-C230 PolarHBondContact O-SG 2.92Å; G227-C230 PolarHBondContact O-N 3.2Å; T228-C230 PolarHBondContact O-N 2.8Å; C230-A232 VanDerWaalsContact C-N 3.27Å; C230-A232 PolarHBondContact O-N 3.17Å; C230-A233 WeakPolarHBondContact O-CB 3.33Å; C230-A233 PolarHBondContact O-N 2.76Å; C230-A233 VanDerWaalsContact O-N 3.11Å; C230-D234 PolarHBondContact O-N 3.37Å
231T93.1Very high95.2Very high72 Ų7234.8 Ų34.844%0.44220%0.203SC..Hα-helixtrans-63.6-35.5175-530000111.8M205 G227 T228 A233 D234 K235M205-T231 HydrophobicContact CE-CG2 3.66Å; M205-T231 HydrophobicContact SD-CG2 3.67Å; G227-T231 PolarHBondContact O-N 3.15Å; G227-T231 VanDerWaalsContact O-N 3.12Å; G227-T231 PolarHBondContact O-OG1 3.02Å; G227-T231 VanDerWaalsContact O-OG1 3.1Å; T228-T231 PolarHBondContact O-N 2.86Å; T231-A233 VanDerWaalsContact C-N 3.34Å; T231-D234 PolarHBondContact O-N 2.99Å; T231-K235 WeakPolarHBondContact O-CB 3.48Å; T231-K235 PolarHBondContact O-N 3.48Å
232A94.4Very high95.3Very high0 Ų039.9 Ų39.90%023%0.227CC..Hα-helixtrans-62.4-40.9172.700000111.8P170 I192 L218 T228 I229 C230 K235 L236P170-A232 HydrophobicContact CB-CB 4.49Å; I192-A232 HydrophobicContact CD1-CB 3.53Å; L218-A232 HydrophobicContact CD1-CB 3.85Å; L218-A232 HydrophobicContact CD2-CB 3.99Å; T228-A232 VanDerWaalsContact O-CB 3.27Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 3.42Å; I229-A232 WeakPolarHBondContact O-CB 3.34Å; I229-A232 PolarHBondContact O-N 2.78Å; C230-A232 VanDerWaalsContact C-N 3.27Å; C230-A232 PolarHBondContact O-N 3.17Å; A232-K235 PolarHBondContact O-N 3.24Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.42Å; A232-L236 PolarHBondContact O-N 3.39Å
233A96.1Very high95.3Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-63-46.9176.500000112.2L218 I229 C230 T231 K235 L236 I237 V244 F266L218-A233 HydrophobicContact CD1-CB 4.27Å; I229-A233 PolarHBondContact O-N 3.33Å; C230-A233 WeakPolarHBondContact O-CB 3.33Å; C230-A233 PolarHBondContact O-N 2.76Å; C230-A233 VanDerWaalsContact O-N 3.11Å; T231-A233 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.46Å; A233-L236 WeakPolarHBondContact O-CB 3.27Å; A233-L236 PolarHBondContact O-N 2.94Å; A233-L236 VanDerWaalsContact O-N 3.12Å; A233-I237 WeakPolarHBondContact O-CG1 3.45Å; A233-I237 PolarHBondContact O-N 2.92Å; A233-V244 HydrophobicContact CB-CG1 3.98Å; A233-F266 HydrophobicContact CB-CD1 4Å; A233-F266 HydrophobicContact CB-CE1 3.39Å; A233-F266 HydrophobicContact CB-CE2 4.39Å; A233-F266 HydrophobicContact CB-CZ 3.61Å
234D94.7Very high95.4Very high78 Ų7841.8 Ų41.842%0.41723%0.233SC..Hα-helixtrans-57.4-41.4175.6-60.9-26.7000110.3C230 T231 L236 I237 E238C230-D234 PolarHBondContact O-N 3.37Å; T231-D234 PolarHBondContact O-N 2.99Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.91Å; D234-I237 PolarHBondContact O-N 2.95Å; D234-E238 WeakPolarHBondContact O-CG 3.48Å; D234-E238 PolarHBondContact O-N 3.4Å
235K94.1Very high95.6Very high68 Ų6840.4 Ų40.430%0.29622%0.224SC..Hα-helixtrans-66.4-33.4179.1-165.647.8168.6170.10113.6M205 T231 A232 A233 E238 A239M205-K235 HydrophobicContact CB-CG 4.41Å; T231-K235 WeakPolarHBondContact O-CB 3.48Å; T231-K235 PolarHBondContact O-N 3.48Å; A232-K235 PolarHBondContact O-N 3.24Å; A233-K235 PolarHBondContact O-N 3.46Å; K235-E238 HydrophobicContact CD-CB 4.49Å; K235-E238 VanDerWaalsContact CD-OE2 3.3Å; K235-E238 WeakPolarHBondContact CD-OE2 3.35Å; K235-E238 IonicContact NZ-OE2 3.32Å; K235-E238 PolarHBondContact NZ-OE2 3.47Å; K235-A239 WeakPolarHBondContact O-CB 3.36Å; K235-A239 PolarHBondContact O-N 3.33Å; K235-A239 VanDerWaalsContact O-N 3.12Å
236L96.9Very high95.7Very high0 Ų037.7 Ų37.70%021%0.208CC..Hα-helixtrans-70.1-41.9175.5-71.6169.3000111.6V168 I192 L207 V211 A216 L218 A232 A233 D234 A239 G240 A241 V244V168-L236 HydrophobicContact CB-CD1 4.32Å; V168-L236 HydrophobicContact CG1-CD1 4.22Å; V168-L236 HydrophobicContact CG1-CD2 4.06Å; V168-L236 HydrophobicContact CG2-CD1 4.2Å; V168-L236 HydrophobicContact CG2-CD2 3.98Å; I192-L236 HydrophobicContact CD1-CD2 4.47Å; I192-L236 HydrophobicContact CD1-CG 4.24Å; L207-L236 HydrophobicContact CD1-CD2 3.99Å; L207-L236 HydrophobicContact CD2-CD2 4.2Å; V211-L236 HydrophobicContact CB-CD2 4.23Å; V211-L236 HydrophobicContact CG1-CD2 3.8Å; V211-L236 HydrophobicContact CG2-CD2 3.97Å; A216-L236 HydrophobicContact CB-CB 4.45Å; A216-L236 HydrophobicContact CB-CD1 3.91Å; A216-L236 HydrophobicContact CB-CD2 4.21Å; A216-L236 HydrophobicContact CB-CG 4.43Å; L218-L236 HydrophobicContact CD1-CD1 3.77Å; L218-L236 HydrophobicContact CD2-CD1 3.99Å; L218-L236 HydrophobicContact CG-CD1 3.64Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.42Å; A232-L236 PolarHBondContact O-N 3.39Å; A233-L236 WeakPolarHBondContact O-CB 3.27Å; A233-L236 PolarHBondContact O-N 2.94Å; A233-L236 VanDerWaalsContact O-N 3.12Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 2.91Å; L236-A239 CarbonylContact O-C 3.43Å; L236-A239 PolarHBondContact O-N 3.17Å; L236-A239 VanDerWaalsContact O-N 3.15Å; L236-G240 PolarHBondContact O-N 2.69Å; L236-A241 HydrophobicContact CB-CB 4.09Å; L236-A241 WeakPolarHBondContact O-CB 3.32Å; L236-A241 PolarHBondContact O-N 3.01Å; L236-V244 HydrophobicContact CB-CG2 3.86Å; L236-V244 HydrophobicContact CD1-CG1 3.94Å; L236-V244 HydrophobicContact CD1-CG2 4.43Å
237I96.8Very high95.9Very high71 Ų7137.6 Ų37.636%0.36421%0.207SC..Hα-helixtrans-62.4-45.1174-63.6-63.8000110.7A233 D234 A239 G240 V244 A265A233-I237 WeakPolarHBondContact O-CG1 3.45Å; A233-I237 PolarHBondContact O-N 2.92Å; D234-I237 PolarHBondContact O-N 2.95Å; I237-A239 PolarHBondContact O-N 3.25Å; I237-G240 PolarHBondContact O-N 3.42Å; I237-V244 HydrophobicContact CD1-CG2 3.63Å; I237-V244 HydrophobicContact CG1-CG2 3.94Å; I237-A265 HydrophobicContact CD1-CB 4.48Å; I237-A265 HydrophobicContact CG1-CB 3.93Å
238E95.5Very high96.1Very high139 Ų13936.8 Ų36.865%0.6520%0.198SC*.Hα-helixtrans-57.9-31.7174.2-75.5178.7-174.800113.1D234 K235 G240D234-E238 WeakPolarHBondContact O-CG 3.48Å; D234-E238 PolarHBondContact O-N 3.4Å; K235-E238 HydrophobicContact CD-CB 4.49Å; K235-E238 VanDerWaalsContact CD-OE2 3.3Å; K235-E238 WeakPolarHBondContact CD-OE2 3.35Å; K235-E238 IonicContact NZ-OE2 3.32Å; K235-E238 PolarHBondContact NZ-OE2 3.47Å; E238-G240 VanDerWaalsContact C-N 3.26Å
239A96Very high96.4Very high40 Ų4034 Ų3433%0.33118%0.181SC..THydrogen-bonded Turntrans-82.90.9177.600000113.6L207 V211 K235 L236 I237L207-A239 HydrophobicContact CD2-CB 3.61Å; V211-A239 HydrophobicContact CG2-CB 3.65Å; K235-A239 WeakPolarHBondContact O-CB 3.36Å; K235-A239 PolarHBondContact O-N 3.33Å; K235-A239 VanDerWaalsContact O-N 3.12Å; L236-A239 CarbonylContact O-C 3.43Å; L236-A239 PolarHBondContact O-N 3.17Å; L236-A239 VanDerWaalsContact O-N 3.15Å; I237-A239 PolarHBondContact O-N 3.25Å
240G97.1Very high96.6Very high24 Ų2433.9 Ų33.925%0.24718%0.18CC..THydrogen-bonded Turntrans95.415175.900000115.2N213 L236 I237 E238 E242N213-G240 PolarHBondContact N-O 2.92Å; L236-G240 PolarHBondContact O-N 2.69Å; I237-G240 PolarHBondContact O-N 3.42Å; E238-G240 VanDerWaalsContact C-N 3.26Å; G240-E242 PolarHBondContact O-N 3.26Å
241A97.8Very high96.8Very high8 Ų833.3 Ų33.37%0.06618%0.177CC..  trans-61.5134.4172.300000110.9V211 R214 A216 L236 V244V211-A241 HydrophobicContact CB-CB 4.5Å; V211-A241 HydrophobicContact CG2-CB 4.38Å; V211-A241 WeakPolarHBondContact O-CA 3.32Å; R214-A241 WeakPolarHBondContact O-CA 3.15Å; A216-A241 HydrophobicContact CB-CB 3.94Å; L236-A241 HydrophobicContact CB-CB 4.09Å; L236-A241 WeakPolarHBondContact O-CB 3.32Å; L236-A241 PolarHBondContact O-N 3.01Å; A241-V244 HydrophobicContact CB-CG2 4.13Å
242E96.9Very high97Very high112 Ų11232.6 Ų32.652%0.52317%0.17SC..SBendtrans-70.7-47.6-177.7-174.1-162.3128.300111.1R214 G240R214-E242 PolarHBondContact O-N 3.12Å; G240-E242 PolarHBondContact O-N 3.26Å
243R97.5Very high97.1Very high56 Ų5633.1 Ų33.121%0.21117%0.172CC..EExtended strand (participates in β ladder)trans-143148176.8-77.6177.8-78.4154.9-5109.2E161 A216 Y245E161-R243 IonicContact OE1-CZ 2.69Å; E161-R243 IonicContact OE1-NH2 3.09Å; E161-R243 PolarHBondContact OE1-NH2 2.76Å; E161-R243 IonicContact OE2-CZ 3.56Å; E161-R243 IonicContact OE2-NH1 3.62Å; E161-R243 IonicContact OE2-NH2 3.59Å; E161-R243 PolarHBondContact OE2-NH2 3.49Å; A216-R243 PolarHBondContact N-O 3.37Å; R243-Y245 HydrophobicContact CB-CE2 4.31Å; R243-Y245 PolarHBondContact NH1-OH 2.94Å
244V98.1Very high97.1Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-119.9125.2178.3-1740000110A216 L218 A233 L236 I237 A241 F266 E267A216-V244 HydrophobicContact CB-CG2 4.46Å; A216-V244 WeakPolarHBondContact O-CA 3.39Å; L218-V244 HydrophobicContact CD1-CG1 4.05Å; A233-V244 HydrophobicContact CB-CG1 3.98Å; L236-V244 HydrophobicContact CB-CG2 3.86Å; L236-V244 HydrophobicContact CD1-CG1 3.94Å; L236-V244 HydrophobicContact CD1-CG2 4.43Å; I237-V244 HydrophobicContact CD1-CG2 3.63Å; I237-V244 HydrophobicContact CG1-CG2 3.94Å; A241-V244 HydrophobicContact CB-CG2 4.13Å; V244-F266 HydrophobicContact CB-CD1 4.42Å; V244-F266 HydrophobicContact CG1-CD1 3.93Å; V244-F266 HydrophobicContact CG1-CE1 3.86Å; V244-F266 WeakPolarHBondContact O-CA 3.28Å; V244-E267 PolarHBondContact O-N 3.02Å
245Y98.6Very high97.2Very high14 Ų1435.2 Ų35.26%0.05520%0.204CC..EExtended strand (participates in β ladder)trans-106152.4168.8-66.5-94.3000109.3W154 I159 V215 A216 L218 R243 E267 A268W154-Y245 HydrophobicContact CH2-CD1 4.03Å; W154-Y245 HydrophobicContact CH2-CE1 4.23Å; I159-Y245 HydrophobicContact CD1-CD1 4.13Å; I159-Y245 HydrophobicContact CD1-CD2 3.69Å; I159-Y245 HydrophobicContact CD1-CE1 4.29Å; I159-Y245 HydrophobicContact CD1-CE2 3.87Å; I159-Y245 HydrophobicContact CD1-CG 3.83Å; I159-Y245 HydrophobicContact CG1-CD1 4.5Å; I159-Y245 HydrophobicContact CG1-CD2 4.35Å; I159-Y245 HydrophobicContact CG1-CE1 4.18Å; I159-Y245 HydrophobicContact CG1-CE2 4.02Å; I159-Y245 HydrophobicContact CG2-CE2 4.44Å; V215-Y245 HydrophobicContact CG1-CD2 3.59Å; V215-Y245 HydrophobicContact CG1-CE2 3.63Å; A216-Y245 PolarHBondContact O-N 2.99Å; L218-Y245 PolarHBondContact N-O 2.8Å; R243-Y245 HydrophobicContact CB-CE2 4.31Å; R243-Y245 PolarHBondContact NH1-OH 2.94Å; Y245-E267 HydrophobicContact CD1-CB 4.19Å; Y245-E267 HydrophobicContact CD1-CG 4.45Å; Y245-E267 HydrophobicContact CE1-CB 3.81Å; Y245-E267 HydrophobicContact CE1-CG 3.6Å; Y245-E267 HydrophobicContact CE2-CB 4.24Å; Y245-E267 HydrophobicContact CE2-CG 4.26Å; Y245-E267 VanDerWaalsContact CZ-CG 3.49Å; Y245-E267 WeakPolarHBondContact OH-CG 3.48Å; Y245-A268 HydrophobicContact CD1-CB 3.92Å; Y245-A268 HydrophobicContact CE1-CB 4.09Å
246A98.4Very high97.3Very high1 Ų134.2 Ų34.21%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-120.2136.4165.300000109.5L218 F266 A268 V269 V270L218-A246 HydrophobicContact CB-CB 4.41Å; L218-A246 CarbonylContact O-C 3.57Å; L218-A246 WeakPolarHBondContact O-CA 3.42Å; A246-F266 HydrophobicContact CB-CD1 4Å; A246-F266 HydrophobicContact CB-CE1 3.58Å; A246-F266 HydrophobicContact CB-CE2 4.36Å; A246-F266 HydrophobicContact CB-CZ 3.8Å; A246-A268 PolarHBondContact N-O 3.39Å; A246-V269 HydrophobicContact CB-CG1 4.31Å; A246-V269 HydrophobicContact CB-CG2 4.35Å; A246-V269 CarbonylContact O-C 3.3Å; A246-V269 WeakPolarHBondContact O-CA 3.35Å; A246-V270 PolarHBondContact O-N 2.89Å
247I98.5Very high97.4Very high2 Ų234.2 Ų34.21%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-128120.4174.4-51.4-173.9000107.8V151 W154 V155 I217 L218 V219 D220 V270V151-I247 HydrophobicContact CB-CG2 4.39Å; V151-I247 HydrophobicContact CG1-CD1 3.88Å; V151-I247 HydrophobicContact CG1-CG2 3.84Å; V151-I247 HydrophobicContact CG2-CG2 3.71Å; W154-I247 HydrophobicContact CE3-CD1 3.95Å; W154-I247 HydrophobicContact CZ3-CD1 4.1Å; V155-I247 HydrophobicContact CG2-CD1 3.54Å; I217-I247 HydrophobicContact CG2-CD1 3.63Å; I217-I247 HydrophobicContact CG2-CG1 3.83Å; L218-I247 PolarHBondContact O-N 3.44Å; V219-I247 VanDerWaalsContact CA-O 3.32Å; V219-I247 WeakPolarHBondContact CA-O 3.35Å; V219-I247 HydrophobicContact CG2-CB 4.39Å; D220-I247 PolarHBondContact N-O 3.28Å; I247-V270 CarbonylContact C-O 3.58Å; I247-V270 VanDerWaalsContact CA-O 3.29Å; I247-V270 WeakPolarHBondContact CA-O 3.14Å; I247-V270 HydrophobicContact CB-CB 4.46Å; I247-V270 HydrophobicContact CG1-CB 4.08Å; I247-V270 HydrophobicContact CG1-CG2 4.24Å; I247-V270 HydrophobicContact CG2-CB 4.28Å
248C97.6Very high97.4Very high3 Ų332.1 Ų32.12%0.0219%0.194CC..EExtended strand (participates in β ladder)trans-130.3133.5175.3-54.90000110.3D220 A223 H250 V270 V271D220-C248 VanDerWaalsContact O-CA 3.27Å; D220-C248 WeakPolarHBondContact O-CA 3.42Å; A223-C248 HydrophobicContact CB-CB 4.14Å; C248-H250 PolarHBondContact O-N 3.11Å; C248-V270 PolarHBondContact N-O 2.87Å; C248-V271 HydrophobicContact CB-CG1 4.27Å; C248-V271 WeakPolarHBondContact O-CA 3.29Å
249T97.9Very high97.5Very high9 Ų930.7 Ų30.76%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-59.3-51.8177.5-58.10000110.6M127 D128 A147 D220 D221 T272 T274M127-T249 HydrophobicContact CG-CG2 4.08Å; M127-T249 HydrophobicContact SD-CG2 4.25Å; D128-T249 HydrophobicContact CB-CG2 3.92Å; D128-T249 WeakPolarHBondContact OD2-CB 3.47Å; D128-T249 WeakPolarHBondContact OD2-CG2 3.37Å; D128-T249 PolarHBondContact OD2-OG1 3.09Å; A147-T249 HydrophobicContact CB-CG2 3.78Å; D220-T249 PolarHBondContact O-N 3.44Å; D221-T249 WeakPolarHBondContact O-CB 3.45Å; D221-T249 PolarHBondContact O-N 2.88Å; D221-T249 VanDerWaalsContact O-N 3.16Å; T249-T272 HydrophobicContact CG2-CG2 3.94Å; T249-T272 WeakPolarHBondContact O-CB 3.48Å; T249-T272 PolarHBondContact O-N 2.53Å; T249-T272 VanDerWaalsContact O-N 3.09Å; T249-T272 PolarHBondContact O-OG1 3.45Å; T249-T274 HydrophobicContact CG2-CG2 4.32Å
250H98.2Very high97.6Very high2 Ų233.4 Ų33.41%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-105.9104.9-177.3-43.4-61.7000112P90 C91 M127 D128 D221 M222 A223 C248 I252 T274 L275P90-H250 PolarHBondContact O-CE1 3.02Å; C91-H250 HydrophobicContact CB-CB 4.48Å; M127-H250 PolarHBondContact O-CE1 2.73Å; M127-H250 PolarHBondContact O-NE2 2.64Å; M127-H250 VanDerWaalsContact O-NE2 3.11Å; D128-H250 PolarHBondContact O-NE2 3.35Å; D221-H250 PolarHBondContact O-CD2 2.82Å; D221-H250 PolarHBondContact O-N 3.35Å; M222-H250 VanDerWaalsContact CA-O 3.23Å; M222-H250 WeakPolarHBondContact CA-O 3.32Å; M222-H250 HydrophobicContact CB-CB 3.83Å; A223-H250 PolarHBondContact N-O 3.5Å; C248-H250 PolarHBondContact O-N 3.11Å; H250-I252 PolarHBondContact O-N 2.82Å; H250-T274 PolarHBondContact ND1-OG1 2.94Å; H250-L275 HydrophobicContact CB-CD1 4.09Å
251G97.8Very high97.6Very high1 Ų132.3 Ų32.31%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-80.988.5170.600000112.2Q277G251-Q277 PolarHBondContact O-NE2 3.5Å
252I97.7Very high97.6Very high56 Ų5635 Ų3529%0.28719%0.191SC..  trans-75.2-43.5176.9-62.1168000110.5M222 A223 D224 H250 S254 L275M222-I252 HydrophobicContact CB-CD1 4.34Å; M222-I252 HydrophobicContact SD-CD1 4.06Å; A223-I252 WeakPolarHBondContact O-CA 3.37Å; A223-I252 WeakPolarHBondContact O-CB 3.39Å; A223-I252 PolarHBondContact O-N 2.79Å; D224-I252 HydrophobicContact CB-CB 4.33Å; D224-I252 HydrophobicContact CB-CD1 4.39Å; D224-I252 HydrophobicContact CB-CG2 4.4Å; H250-I252 PolarHBondContact O-N 2.82Å; I252-S254 PolarHBondContact O-N 3.14Å; I252-L275 HydrophobicContact CB-CD1 4.38Å; I252-L275 HydrophobicContact CG1-CD1 3.69Å
253F97.2Very high97.6Very high11 Ų1137.1 Ų37.15%0.04820%0.199CC..  trans49.146.5171.6-57.3-34.1000115.8A223 D224 C226 A257 L258 I261 V269 V271 N280 I287A223-F253 HydrophobicContact CB-CD1 4.24Å; A223-F253 HydrophobicContact CB-CE1 3.72Å; A223-F253 PolarHBondContact O-N 2.9Å; A223-F253 VanDerWaalsContact O-N 3.1Å; D224-F253 CarbonylContact O-C 3.57Å; D224-F253 WeakPolarHBondContact O-CA 3.35Å; D224-F253 PolarHBondContact O-N 2.93Å; C226-F253 VanDerWaalsContact SG-CD1 3.52Å; F253-A257 VanDerWaalsContact C-CB 3.43Å; F253-A257 VanDerWaalsContact CA-CB 3.49Å; F253-A257 HydrophobicContact CB-CB 3.97Å; F253-A257 HydrophobicContact CD1-CB 4.37Å; F253-L258 HydrophobicContact CB-CD2 4.18Å; F253-I261 HydrophobicContact CD1-CD1 3.88Å; F253-I261 HydrophobicContact CE1-CD1 3.65Å; F253-I261 HydrophobicContact CG-CD1 4.45Å; F253-I261 HydrophobicContact CZ-CD1 4.04Å; F253-V269 HydrophobicContact CE1-CG1 4.36Å; F253-V269 HydrophobicContact CZ-CG1 3.88Å; F253-V271 HydrophobicContact CE1-CG1 4.36Å; F253-V271 HydrophobicContact CE2-CB 4.43Å; F253-V271 HydrophobicContact CE2-CG1 3.71Å; F253-V271 HydrophobicContact CE2-CG2 3.96Å; F253-V271 HydrophobicContact CZ-CB 4.48Å; F253-V271 HydrophobicContact CZ-CG1 3.35Å; F253-V271 HydrophobicContact CZ-CG2 4.42Å; F253-N280 HydrophobicContact CD2-CB 4.4Å; F253-I287 HydrophobicContact CD2-CD1 4.06Å; F253-I287 HydrophobicContact CE2-CD1 3.81Å; F253-I287 HydrophobicContact CE2-CG2 4.33Å; F253-I287 HydrophobicContact CZ-CD1 4.41Å
254S96Very high97.5Very high48 Ų4835 Ų3534%0.33619%0.193SC..  trans-84157.7179.184.20000113.4D224 I252 A257D224-S254 PolarHBondContact O-N 2.91Å; D224-S254 VanDerWaalsContact O-N 3.15Å; D224-S254 VanDerWaalsContact OD1-CB 3.31Å; D224-S254 WeakPolarHBondContact OD1-CB 3.27Å; D224-S254 PolarHBondContact OD1-OG 2.75Å; I252-S254 PolarHBondContact O-N 3.14Å; S254-A257 VanDerWaalsContact O-CB 3.32Å; S254-A257 WeakPolarHBondContact O-CB 3.24Å; S254-A257 PolarHBondContact O-N 2.96Å
255G96.1Very high97.3Very high74 Ų7437.4 Ų37.476%0.76321%0.212SC*.THydrogen-bonded Turntrans58.4-123.9174.400000113A257G255-A257 PolarHBondContact O-N 3.32Å
256P97.1Very high97.3Very high48 Ų4836.9 Ų36.931%0.31221%0.21SC..THydrogen-bonded Turntrans-79.48.6-175.135.5-38.1000114L258 E259 R260P256-L258 PolarHBondContact O-N 3.44Å; P256-E259 PolarHBondContact O-N 3.3Å; P256-R260 HydrophobicContact CB-CG 4.5Å; P256-R260 WeakPolarHBondContact O-CB 3.38Å; P256-R260 WeakPolarHBondContact O-CG 3.42Å; P256-R260 PolarHBondContact O-N 2.97Å
257A97.7Very high97.3Very high0 Ų041.9 Ų41.90%023%0.233CC..Hα-helixtrans-54.9-50.9-171.500000113.6D224 C226 F253 S254 G255 E259 R260 I261D224-A257 VanDerWaalsContact O-CB 3.27Å; D224-A257 WeakPolarHBondContact O-CB 3.49Å; C226-A257 HydrophobicContact CB-CB 4.3Å; F253-A257 VanDerWaalsContact C-CB 3.43Å; F253-A257 VanDerWaalsContact CA-CB 3.49Å; F253-A257 HydrophobicContact CB-CB 3.97Å; F253-A257 HydrophobicContact CD1-CB 4.37Å; S254-A257 VanDerWaalsContact O-CB 3.32Å; S254-A257 WeakPolarHBondContact O-CB 3.24Å; S254-A257 PolarHBondContact O-N 2.96Å; G255-A257 PolarHBondContact O-N 3.32Å; A257-E259 PolarHBondContact O-N 3.38Å; A257-R260 PolarHBondContact O-N 2.96Å; A257-I261 WeakPolarHBondContact O-CG1 3.45Å; A257-I261 PolarHBondContact O-N 2.89Å
258L97.6Very high97.3Very high27 Ų2742 Ų4214%0.14123%0.234CC..Hα-helixtrans-66.3-39.1-176.7-58.4-178.8000112.1F253 P256 I261 N262 N280 K283 A284 I287F253-L258 HydrophobicContact CB-CD2 4.18Å; P256-L258 PolarHBondContact O-N 3.44Å; L258-I261 PolarHBondContact O-N 3.39Å; L258-N262 WeakPolarHBondContact O-CB 3.25Å; L258-N262 PolarHBondContact O-N 2.78Å; L258-N262 PolarHBondContact O-ND2 2.83Å; L258-N280 HydrophobicContact CD2-CB 4.03Å; L258-K283 HydrophobicContact CD1-CB 3.9Å; L258-K283 HydrophobicContact CD1-CD 3.8Å; L258-A284 HydrophobicContact CD2-CB 4.19Å; L258-I287 HydrophobicContact CD2-CD1 3.73Å
259E97.6Very high97.3Very high108 Ų10841.9 Ų41.951%0.50523%0.233SC..Hα-helixtrans-62.3-44.7174.9-173.1-170.1161.600111P256 A257 N262 K263P256-E259 PolarHBondContact O-N 3.3Å; A257-E259 PolarHBondContact O-N 3.38Å; E259-N262 PolarHBondContact O-N 2.86Å; E259-K263 HydrophobicContact CG-CD 4.16Å; E259-K263 WeakPolarHBondContact O-CB 3.42Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.33Å; E259-K263 WeakPolarHBondContact OE1-CE 3.45Å; E259-K263 IonicContact OE1-NZ 2.68Å; E259-K263 PolarHBondContact OE1-NZ 3.2Å
260R97.6Very high97.3Very high98 Ų9841.4 Ų41.437%0.3723%0.231SC..Hα-helixtrans-63.1-45176.9-73.6171.7174173.2-1.5111.7T225 P256 A257 N262 K263 S264T225-R260 VanDerWaalsContact O-CD 3.23Å; T225-R260 WeakPolarHBondContact O-CD 3.09Å; T225-R260 PolarHBondContact O-NH1 2.7Å; T225-R260 PolarHBondContact OG1-NH1 2.83Å; P256-R260 HydrophobicContact CB-CG 4.5Å; P256-R260 WeakPolarHBondContact O-CB 3.38Å; P256-R260 WeakPolarHBondContact O-CG 3.42Å; P256-R260 PolarHBondContact O-N 2.97Å; A257-R260 PolarHBondContact O-N 2.96Å; R260-N262 PolarHBondContact O-N 2.95Å; R260-K263 PolarHBondContact O-N 3.45Å; R260-S264 VanDerWaalsContact O-CB 3.27Å; R260-S264 WeakPolarHBondContact O-CB 3.49Å; R260-S264 PolarHBondContact O-N 3.4Å
261I97.8Very high97.4Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-59.1-48.5176.6-71.5166.7000110.5C226 F253 A257 L258 K263 S264 V269 A284 K286 I287C226-I261 HydrophobicContact CB-CG1 4.32Å; F253-I261 HydrophobicContact CD1-CD1 3.88Å; F253-I261 HydrophobicContact CE1-CD1 3.65Å; F253-I261 HydrophobicContact CG-CD1 4.45Å; F253-I261 HydrophobicContact CZ-CD1 4.04Å; A257-I261 WeakPolarHBondContact O-CG1 3.45Å; A257-I261 PolarHBondContact O-N 2.89Å; L258-I261 PolarHBondContact O-N 3.39Å; I261-K263 VanDerWaalsContact C-N 3.31Å; I261-K263 PolarHBondContact O-N 2.89Å; I261-S264 PolarHBondContact O-N 2.8Å; I261-S264 PolarHBondContact O-OG 3.21Å; I261-V269 HydrophobicContact CD1-CG1 4.35Å; I261-V269 HydrophobicContact CG1-CG2 4.34Å; I261-V269 HydrophobicContact CG2-CB 4.41Å; I261-V269 HydrophobicContact CG2-CG2 3.73Å; I261-A284 HydrophobicContact CG2-CB 4.47Å; I261-K286 HydrophobicContact CG2-CB 4.23Å; I261-I287 HydrophobicContact CD1-CD1 4.19Å; I261-I287 HydrophobicContact CG2-CG1 4.39Å
262N97.3Very high97.4Very high65 Ų6541.4 Ų41.435%0.34823%0.23SC..Hα-helixtrans-62.4-37.3-179.3-77.3-24.7000112.9L258 E259 R260 K283 A284L258-N262 WeakPolarHBondContact O-CB 3.25Å; L258-N262 PolarHBondContact O-N 2.78Å; L258-N262 PolarHBondContact O-ND2 2.83Å; E259-N262 PolarHBondContact O-N 2.86Å; R260-N262 PolarHBondContact O-N 2.95Å; N262-K283 PolarHBondContact ND2-O 2.8Å; N262-A284 VanDerWaalsContact OD1-CA 3.29Å; N262-A284 WeakPolarHBondContact OD1-CA 3.22Å; N262-A284 WeakPolarHBondContact OD1-CB 3.49Å
263K97.1Very high97.4Very high157 Ų15739.1 Ų39.168%0.68322%0.219SC*.Hα-helixtrans-80.7-18.2178.3-69.9177.6177.9179.10114.2E259 R260 I261E259-K263 HydrophobicContact CG-CD 4.16Å; E259-K263 WeakPolarHBondContact O-CB 3.42Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.33Å; E259-K263 WeakPolarHBondContact OE1-CE 3.45Å; E259-K263 IonicContact OE1-NZ 2.68Å; E259-K263 PolarHBondContact OE1-NZ 3.2Å; R260-K263 PolarHBondContact O-N 3.45Å; I261-K263 VanDerWaalsContact C-N 3.31Å; I261-K263 PolarHBondContact O-N 2.89Å
264S96.3Very high97.5Very high12 Ų1238.6 Ų38.68%0.08422%0.217CC..SBendtrans-72.4165.2-176710000113.2R260 I261 F266 K286R260-S264 VanDerWaalsContact O-CB 3.27Å; R260-S264 WeakPolarHBondContact O-CB 3.49Å; R260-S264 PolarHBondContact O-N 3.4Å; I261-S264 PolarHBondContact O-N 2.8Å; I261-S264 PolarHBondContact O-OG 3.21Å; S264-F266 PolarHBondContact O-N 3.36Å; S264-F266 WeakPolarHBondContact OG-CD2 3.28Å; S264-F266 PolarHBondContact OG-N 3.39Å; S264-K286 PolarHBondContact O-NZ 3.35Å
265A94.2Very high97.5Very high49 Ų4936.8 Ų36.841%0.40520%0.203SC..  trans-76.47.5174.100000114.7I237 E267I237-A265 HydrophobicContact CD1-CB 4.48Å; I237-A265 HydrophobicContact CG1-CB 3.93Å; A265-E267 PolarHBondContact O-N 3.31Å
266F97.9Very high97.6Very high3 Ų336.5 Ų36.51%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-62.5135.6179.7-68.4-52.9000112.1L218 I229 A233 V244 A246 S264 V269 K286L218-F266 HydrophobicContact CD1-CE1 3.96Å; L218-F266 HydrophobicContact CD1-CZ 4.33Å; I229-F266 HydrophobicContact CB-CZ 4.23Å; I229-F266 HydrophobicContact CD1-CE2 4.28Å; I229-F266 HydrophobicContact CD1-CZ 4.37Å; I229-F266 HydrophobicContact CG1-CE2 4.37Å; I229-F266 HydrophobicContact CG1-CZ 4.3Å; I229-F266 WeakPolarHBondContact O-CZ 3.42Å; A233-F266 HydrophobicContact CB-CD1 4Å; A233-F266 HydrophobicContact CB-CE1 3.39Å; A233-F266 HydrophobicContact CB-CE2 4.39Å; A233-F266 HydrophobicContact CB-CZ 3.61Å; V244-F266 HydrophobicContact CB-CD1 4.42Å; V244-F266 HydrophobicContact CG1-CD1 3.93Å; V244-F266 HydrophobicContact CG1-CE1 3.86Å; V244-F266 WeakPolarHBondContact O-CA 3.28Å; A246-F266 HydrophobicContact CB-CD1 4Å; A246-F266 HydrophobicContact CB-CE1 3.58Å; A246-F266 HydrophobicContact CB-CE2 4.36Å; A246-F266 HydrophobicContact CB-CZ 3.8Å; S264-F266 PolarHBondContact O-N 3.36Å; S264-F266 WeakPolarHBondContact OG-CD2 3.28Å; S264-F266 PolarHBondContact OG-N 3.39Å; F266-V269 HydrophobicContact CB-CG2 3.88Å; F266-V269 HydrophobicContact CD2-CG2 3.49Å; F266-V269 VanDerWaalsContact CD2-CG2 3.49Å; F266-V269 HydrophobicContact CE2-CG2 4.22Å; F266-V269 HydrophobicContact CG-CG2 3.78Å; F266-K286 WeakPolarHBondContact O-CD 3.25Å; F266-K286 WeakPolarHBondContact O-CE 3.47Å; F266-K286 PolarHBondContact O-NZ 3.24Å
267E97.9Very high97.6Very high107 Ų10734.5 Ų34.550%0.517%0.174SC..EExtended strand (participates in β ladder)trans-73.2-49.3167.3-176.461.3-159.500109.8V244 Y245 A265V244-E267 PolarHBondContact O-N 3.02Å; Y245-E267 HydrophobicContact CD1-CB 4.19Å; Y245-E267 HydrophobicContact CD1-CG 4.45Å; Y245-E267 HydrophobicContact CE1-CB 3.81Å; Y245-E267 HydrophobicContact CE1-CG 3.6Å; Y245-E267 HydrophobicContact CE2-CB 4.24Å; Y245-E267 HydrophobicContact CE2-CG 4.26Å; Y245-E267 VanDerWaalsContact CZ-CG 3.49Å; Y245-E267 WeakPolarHBondContact OH-CG 3.48Å; A265-E267 PolarHBondContact O-N 3.31Å
268A98.1Very high97.5Very high4 Ų440.1 Ų40.13%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-147.5152.716900000111.7Y245 A246 K286Y245-A268 HydrophobicContact CD1-CB 3.92Å; Y245-A268 HydrophobicContact CE1-CB 4.09Å; A246-A268 PolarHBondContact N-O 3.39Å; A268-K286 WeakPolarHBondContact CA-O 3.38Å
269V98.5Very high97.4Very high0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-116107.7171.6-1780000108A246 F253 I261 F266 K286 I287 Q288A246-V269 HydrophobicContact CB-CG1 4.31Å; A246-V269 HydrophobicContact CB-CG2 4.35Å; A246-V269 CarbonylContact O-C 3.3Å; A246-V269 WeakPolarHBondContact O-CA 3.35Å; F253-V269 HydrophobicContact CE1-CG1 4.36Å; F253-V269 HydrophobicContact CZ-CG1 3.88Å; I261-V269 HydrophobicContact CD1-CG1 4.35Å; I261-V269 HydrophobicContact CG1-CG2 4.34Å; I261-V269 HydrophobicContact CG2-CB 4.41Å; I261-V269 HydrophobicContact CG2-CG2 3.73Å; F266-V269 HydrophobicContact CB-CG2 3.88Å; F266-V269 HydrophobicContact CD2-CG2 3.49Å; F266-V269 VanDerWaalsContact CD2-CG2 3.49Å; F266-V269 HydrophobicContact CE2-CG2 4.22Å; F266-V269 HydrophobicContact CG-CG2 3.78Å; V269-K286 PolarHBondContact N-O 2.72Å; V269-I287 HydrophobicContact CB-CG1 4.47Å; V269-I287 CarbonylContact O-C 3.57Å; V269-I287 VanDerWaalsContact O-CA 3.23Å; V269-I287 WeakPolarHBondContact O-CA 3.27Å; V269-Q288 PolarHBondContact O-N 2.84Å
270V98.7Very high97.4Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-98.5130.1-175.5-168.50000109.2W154 A246 I247 C248 Q288 I290W154-V270 HydrophobicContact CD2-CG1 4.04Å; W154-V270 HydrophobicContact CD2-CG2 3.98Å; W154-V270 HydrophobicContact CE3-CG2 3.98Å; W154-V270 HydrophobicContact CG-CG1 4.26Å; W154-V270 HydrophobicContact CH2-CG2 3.35Å; W154-V270 HydrophobicContact CZ2-CG2 3.29Å; W154-V270 HydrophobicContact CZ3-CG2 3.69Å; A246-V270 PolarHBondContact O-N 2.89Å; I247-V270 CarbonylContact C-O 3.58Å; I247-V270 VanDerWaalsContact CA-O 3.29Å; I247-V270 WeakPolarHBondContact CA-O 3.14Å; I247-V270 HydrophobicContact CB-CB 4.46Å; I247-V270 HydrophobicContact CG1-CB 4.08Å; I247-V270 HydrophobicContact CG1-CG2 4.24Å; I247-V270 HydrophobicContact CG2-CB 4.28Å; C248-V270 PolarHBondContact N-O 2.87Å; V270-Q288 WeakPolarHBondContact CA-O 3.24Å; V270-I290 HydrophobicContact CG1-CD1 3.59Å; V270-I290 HydrophobicContact CG1-CG1 3.67Å
271V98.5Very high97.4Very high1 Ų139.3 Ų39.31%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-132.8171173.8-660000111.8C248 F253 Q277 I287 Q288 C289 I290C248-V271 HydrophobicContact CB-CG1 4.27Å; C248-V271 WeakPolarHBondContact O-CA 3.29Å; F253-V271 HydrophobicContact CE1-CG1 4.36Å; F253-V271 HydrophobicContact CE2-CB 4.43Å; F253-V271 HydrophobicContact CE2-CG1 3.71Å; F253-V271 HydrophobicContact CE2-CG2 3.96Å; F253-V271 HydrophobicContact CZ-CB 4.48Å; F253-V271 HydrophobicContact CZ-CG1 3.35Å; F253-V271 HydrophobicContact CZ-CG2 4.42Å; V271-Q277 HydrophobicContact CG2-CG 3.77Å; V271-I287 HydrophobicContact CG2-CG2 4.07Å; V271-Q288 PolarHBondContact N-O 2.87Å; V271-C289 CarbonylContact O-C 3.56Å; V271-C289 VanDerWaalsContact O-CA 3.27Å; V271-C289 WeakPolarHBondContact O-CA 3.28Å; V271-I290 PolarHBondContact O-N 2.85Å
272T98.5Very high97.3Very high1 Ų148.5 Ų48.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-95.7165.5169.176.60000111.9A147 T249 T274 I290 V292A147-T272 HydrophobicContact CB-CG2 4.04Å; T249-T272 HydrophobicContact CG2-CG2 3.94Å; T249-T272 WeakPolarHBondContact O-CB 3.48Å; T249-T272 PolarHBondContact O-N 2.53Å; T249-T272 VanDerWaalsContact O-N 3.09Å; T249-T272 PolarHBondContact O-OG1 3.45Å; T272-T274 PolarHBondContact O-N 2.92Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.37Å; T272-T274 PolarHBondContact OG1-N 3.18Å; T272-T274 PolarHBondContact OG1-OG1 3.17Å; T272-I290 VanDerWaalsContact CA-O 3.28Å; T272-I290 WeakPolarHBondContact CA-O 3.47Å; T272-I290 HydrophobicContact CG2-CB 4.4Å; T272-V292 HydrophobicContact CG2-CG1 3.64Å
273N97.9Very high97.3Very high9 Ų950.6 Ų50.65%0.04824%0.243CC..THydrogen-bonded Turntrans-81.119.6170.765.7-16000114N12 L275 C289 I290 D291 V292N12-N273 PolarHBondContact ND2-O 3.15Å; N273-L275 CarbonylContact C-O 3.6Å; N273-L275 PolarHBondContact O-N 3.42Å; N273-L275 VanDerWaalsContact O-N 3.12Å; N273-C289 PolarHBondContact N-SG 3.28Å; N273-C289 VanDerWaalsContact N-SG 3.43Å; N273-I290 PolarHBondContact N-O 3.34Å; N273-I290 VanDerWaalsContact N-O 3.07Å; N273-I290 PolarHBondContact OD1-O 3.08Å; N273-D291 PolarHBondContact ND2-OD1 3.2Å; N273-V292 WeakPolarHBondContact OD1-CG2 3.4Å; N273-V292 PolarHBondContact OD1-N 3.41Å
274T98.3Very high97.3Very high0 Ų043.1 Ų43.10%021%0.21CC..THydrogen-bonded Turntrans-55.5-27.3169.757.50000111.8T58 P90 M127 T249 H250 T272 V292T58-T274 VanDerWaalsContact CB-O 3.23Å; T58-T274 WeakPolarHBondContact CB-O 3.46Å; T58-T274 WeakPolarHBondContact CG2-O 3.39Å; T58-T274 PolarHBondContact OG1-O 3.48Å; P90-T274 HydrophobicContact CB-CG2 3.8Å; M127-T274 HydrophobicContact CB-CG2 4.4Å; M127-T274 HydrophobicContact CG-CG2 4.43Å; M127-T274 HydrophobicContact SD-CG2 3.79Å; T249-T274 HydrophobicContact CG2-CG2 4.32Å; H250-T274 PolarHBondContact ND1-OG1 2.94Å; T272-T274 PolarHBondContact O-N 2.92Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.37Å; T272-T274 PolarHBondContact OG1-N 3.18Å; T272-T274 PolarHBondContact OG1-OG1 3.17Å; T274-V292 HydrophobicContact CG2-CG2 3.97Å
275L97.8Very high97.3Very high9 Ų947.9 Ų47.95%0.04724%0.241CC..SBendtrans-121.6149.8170.3-70.9160.8000108.4T58 C91 H250 I252 N273 Q277T58-L275 HydrophobicContact CG2-CD2 3.84Å; C91-L275 HydrophobicContact CB-CD1 4.35Å; C91-L275 HydrophobicContact CB-CD2 4.34Å; C91-L275 HydrophobicContact CB-CG 4.13Å; H250-L275 HydrophobicContact CB-CD1 4.09Å; I252-L275 HydrophobicContact CB-CD1 4.38Å; I252-L275 HydrophobicContact CG1-CD1 3.69Å; N273-L275 CarbonylContact C-O 3.6Å; N273-L275 PolarHBondContact O-N 3.42Å; N273-L275 VanDerWaalsContact O-N 3.12Å; L275-Q277 WeakPolarHBondContact O-CG 3.4Å; L275-Q277 PolarHBondContact O-N 3.11Å; L275-Q277 PolarHBondContact O-NE2 2.93Å
276P97.1Very high97.5Very high68 Ų6848.1 Ų48.144%0.44223%0.233SC..  trans-59.2128.9176.2-20.931.5000111.6S11 N12S11-P276 VanDerWaalsContact O-CG 3.25Å; S11-P276 WeakPolarHBondContact O-CG 3.19Å; N12-P276 HydrophobicContact CB-CG 3.96Å
277Q97.3Very high97.5Very high6 Ų648.4 Ų48.43%0.02823%0.234CC..  trans-119.6-4.5-178-59.4-53-33.600114.5G251 V271 L275 E279 N280 M281 C289G251-Q277 PolarHBondContact O-NE2 3.5Å; V271-Q277 HydrophobicContact CG2-CG 3.77Å; L275-Q277 WeakPolarHBondContact O-CG 3.4Å; L275-Q277 PolarHBondContact O-N 3.11Å; L275-Q277 PolarHBondContact O-NE2 2.93Å; Q277-E279 PolarHBondContact O-N 2.72Å; Q277-N280 PolarHBondContact O-N 3.5Å; Q277-N280 VanDerWaalsContact O-N 3.1Å; Q277-N280 PolarHBondContact OE1-ND2 2.88Å; Q277-M281 HydrophobicContact CB-CE 4.24Å; Q277-M281 HydrophobicContact CB-CG 4.44Å; Q277-M281 WeakPolarHBondContact O-CG 3.37Å; Q277-M281 PolarHBondContact O-N 3.47Å; Q277-C289 HydrophobicContact CB-CB 4.47Å
278E95.5Very high97.5Very high118 Ų11847 Ų4755%0.55123%0.227SC*.Hα-helixtrans-59.4-44.8-171.4-167.9179.8172.100112.6R282E278-R282 WeakPolarHBondContact O-CG 3.33Å; E278-R282 PolarHBondContact O-N 3.08Å; E278-R282 IonicContact OE1-CZ 3.61Å; E278-R282 IonicContact OE1-NE 3.91Å; E278-R282 IonicContact OE1-NH2 2.68Å; E278-R282 PolarHBondContact OE1-NH2 3.46Å
279E95.8Very high97.5Very high124 Ų12449 Ų4958%0.57924%0.241SC*.Hα-helixtrans-67.4-38.9176.3-171.3178.717700112.2Q277 R282 K283Q277-E279 PolarHBondContact O-N 2.72Å; E279-R282 PolarHBondContact O-N 3.02Å; E279-K283 HydrophobicContact CG-CD 4.33Å; E279-K283 WeakPolarHBondContact O-CG 3.21Å; E279-K283 PolarHBondContact O-N 3Å; E279-K283 WeakPolarHBondContact OE1-CE 3.31Å; E279-K283 IonicContact OE1-NZ 2.6Å; E279-K283 PolarHBondContact OE1-NZ 3.45Å
280N97Very high97.5Very high25 Ų2549.8 Ų49.813%0.13425%0.245CC..Hα-helixtrans-63.7-45.1178.6-67.4-24.6000111.2F253 L258 Q277 R282 K283 A284 I287F253-N280 HydrophobicContact CD2-CB 4.4Å; L258-N280 HydrophobicContact CD2-CB 4.03Å; Q277-N280 PolarHBondContact O-N 3.5Å; Q277-N280 VanDerWaalsContact O-N 3.1Å; Q277-N280 PolarHBondContact OE1-ND2 2.88Å; N280-R282 VanDerWaalsContact C-N 3.3Å; N280-R282 PolarHBondContact O-N 3.48Å; N280-K283 PolarHBondContact O-N 3.37Å; N280-K283 VanDerWaalsContact O-N 3.15Å; N280-A284 PolarHBondContact O-N 3.13Å; N280-I287 HydrophobicContact CB-CD1 4.03Å
281M97.4Very high97.4Very high68 Ų6852.6 Ų52.634%0.33526%0.26SS..Hα-helixtrans-63-33.9177.1-70.5-175.1-64.800112.7Q277 A284 I287 C289Q277-M281 HydrophobicContact CB-CE 4.24Å; Q277-M281 HydrophobicContact CB-CG 4.44Å; Q277-M281 WeakPolarHBondContact O-CG 3.37Å; Q277-M281 PolarHBondContact O-N 3.47Å; M281-A284 CarbonylContact O-C 3.36Å; M281-I287 HydrophobicContact CG-CB 4.1Å; M281-I287 HydrophobicContact CG-CG2 3.72Å; M281-C289 HydrophobicContact CE-CB 4.14Å; M281-C289 HydrophobicContact SD-CB 3.59Å; M281-C289 VanDerWaalsContact SD-CB 3.59Å
282R97Very high97.4Very high192 Ų19252.6 Ų52.673%0.72526%0.26SS*.Hα-helixtrans-67.6-35.4174.3-70175.7-170.3-1734112.5E278 E279 N280E278-R282 WeakPolarHBondContact O-CG 3.33Å; E278-R282 PolarHBondContact O-N 3.08Å; E278-R282 IonicContact OE1-CZ 3.61Å; E278-R282 IonicContact OE1-NE 3.91Å; E278-R282 IonicContact OE1-NH2 2.68Å; E278-R282 PolarHBondContact OE1-NH2 3.46Å; E279-R282 PolarHBondContact O-N 3.02Å; N280-R282 VanDerWaalsContact C-N 3.3Å; N280-R282 PolarHBondContact O-N 3.48Å
283K97.3Very high97.3Very high110 Ų11052.5 Ų52.548%0.47826%0.259SS..Hα-helixtrans-87.5-23-178-69.3177.7-174.9173.60113.6L258 N262 E279 N280L258-K283 HydrophobicContact CD1-CB 3.9Å; L258-K283 HydrophobicContact CD1-CD 3.8Å; N262-K283 PolarHBondContact ND2-O 2.8Å; E279-K283 HydrophobicContact CG-CD 4.33Å; E279-K283 WeakPolarHBondContact O-CG 3.21Å; E279-K283 PolarHBondContact O-N 3Å; E279-K283 WeakPolarHBondContact OE1-CE 3.31Å; E279-K283 IonicContact OE1-NZ 2.6Å; E279-K283 PolarHBondContact OE1-NZ 3.45Å; N280-K283 PolarHBondContact O-N 3.37Å; N280-K283 VanDerWaalsContact O-N 3.15Å
284A96.9Very high97.2Very high0 Ų053.5 Ų53.50%027%0.266CS..  trans-135.896.6-178.800000110.2L258 I261 N262 N280 M281 K286 I287L258-A284 HydrophobicContact CD2-CB 4.19Å; I261-A284 HydrophobicContact CG2-CB 4.47Å; N262-A284 VanDerWaalsContact OD1-CA 3.29Å; N262-A284 WeakPolarHBondContact OD1-CA 3.22Å; N262-A284 WeakPolarHBondContact OD1-CB 3.49Å; N280-A284 PolarHBondContact O-N 3.13Å; M281-A284 CarbonylContact O-C 3.36Å; A284-K286 PolarHBondContact O-N 2.83Å; A284-K286 VanDerWaalsContact O-N 3.08Å; A284-I287 HydrophobicContact CB-CD1 3.67Å; A284-I287 HydrophobicContact CB-CG1 3.87Å; A284-I287 WeakPolarHBondContact O-CB 3.45Å; A284-I287 PolarHBondContact O-N 2.78Å
285P96.3Very high97.2Very high111 Ų11153.6 Ų53.672%0.72127%0.266SS*.THydrogen-bonded Turntrans-67.1-13.1-17326.6-35000114I287P285-I287 PolarHBondContact O-N 2.68Å
286K97.4Very high97.2Very high55 Ų5553.2 Ų53.224%0.23926%0.264CS..THydrogen-bonded Turntrans-72-16.8172.6-62-174.8175.4-157.90112.8I261 S264 F266 A268 V269 A284I261-K286 HydrophobicContact CG2-CB 4.23Å; S264-K286 PolarHBondContact O-NZ 3.35Å; F266-K286 WeakPolarHBondContact O-CD 3.25Å; F266-K286 WeakPolarHBondContact O-CE 3.47Å; F266-K286 PolarHBondContact O-NZ 3.24Å; A268-K286 WeakPolarHBondContact CA-O 3.38Å; V269-K286 PolarHBondContact N-O 2.72Å; A284-K286 PolarHBondContact O-N 2.83Å; A284-K286 VanDerWaalsContact O-N 3.08Å
287I98.4Very high97.2Very high8 Ų850.2 Ų50.24%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-79.2128.3-176.5-60.5179.8000110.1F253 L258 I261 V269 V271 N280 M281 A284 P285F253-I287 HydrophobicContact CD2-CD1 4.06Å; F253-I287 HydrophobicContact CE2-CD1 3.81Å; F253-I287 HydrophobicContact CE2-CG2 4.33Å; F253-I287 HydrophobicContact CZ-CD1 4.41Å; L258-I287 HydrophobicContact CD2-CD1 3.73Å; I261-I287 HydrophobicContact CD1-CD1 4.19Å; I261-I287 HydrophobicContact CG2-CG1 4.39Å; V269-I287 HydrophobicContact CB-CG1 4.47Å; V269-I287 CarbonylContact O-C 3.57Å; V269-I287 VanDerWaalsContact O-CA 3.23Å; V269-I287 WeakPolarHBondContact O-CA 3.27Å; V271-I287 HydrophobicContact CG2-CG2 4.07Å; N280-I287 HydrophobicContact CB-CD1 4.03Å; M281-I287 HydrophobicContact CG-CB 4.1Å; M281-I287 HydrophobicContact CG-CG2 3.72Å; A284-I287 HydrophobicContact CB-CD1 3.67Å; A284-I287 HydrophobicContact CB-CG1 3.87Å; A284-I287 WeakPolarHBondContact O-CB 3.45Å; A284-I287 PolarHBondContact O-N 2.78Å; P285-I287 PolarHBondContact O-N 2.68Å
288Q98.2Very high97.2Very high77 Ų7751.6 Ų51.636%0.3625%0.251SS..EExtended strand (participates in β ladder)trans-118.5152169.4-59.9-171.316.700110.1W154 V269 V270 V271W154-Q288 VanDerWaalsContact CZ2-OE1 3.25Å; V269-Q288 PolarHBondContact O-N 2.84Å; V270-Q288 WeakPolarHBondContact CA-O 3.24Å; V271-Q288 PolarHBondContact N-O 2.87Å
289C98Very high97.3Very high46 Ų4646 Ų4631%0.31123%0.225SC..EExtended strand (participates in β ladder)trans-125.9121.5-174.9-167.20000111.7V271 N273 Q277 M281V271-C289 CarbonylContact O-C 3.56Å; V271-C289 VanDerWaalsContact O-CA 3.27Å; V271-C289 WeakPolarHBondContact O-CA 3.28Å; N273-C289 PolarHBondContact N-SG 3.28Å; N273-C289 VanDerWaalsContact N-SG 3.43Å; Q277-C289 HydrophobicContact CB-CB 4.47Å; M281-C289 HydrophobicContact CE-CB 4.14Å; M281-C289 HydrophobicContact SD-CB 3.59Å; M281-C289 VanDerWaalsContact SD-CB 3.59Å
290I98Very high97.4Very high18 Ų1840 Ų409%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-84.4124.7170.7-60.9174000108.2A150 V151 W154 V270 V271 T272 N273 V292A150-I290 HydrophobicContact CB-CG2 3.89Å; V151-I290 HydrophobicContact CG2-CD1 4.41Å; W154-I290 HydrophobicContact CB-CD1 3.76Å; W154-I290 HydrophobicContact CB-CG1 4.33Å; W154-I290 HydrophobicContact CG-CD1 3.97Å; W154-I290 HydrophobicContact CG-CG1 4.23Å; V270-I290 HydrophobicContact CG1-CD1 3.59Å; V270-I290 HydrophobicContact CG1-CG1 3.67Å; V271-I290 PolarHBondContact O-N 2.85Å; T272-I290 VanDerWaalsContact CA-O 3.28Å; T272-I290 WeakPolarHBondContact CA-O 3.47Å; T272-I290 HydrophobicContact CG2-CB 4.4Å; N273-I290 PolarHBondContact N-O 3.34Å; N273-I290 VanDerWaalsContact N-O 3.07Å; N273-I290 PolarHBondContact OD1-O 3.08Å; I290-V292 HydrophobicContact CG2-CG1 4.42Å; I290-V292 PolarHBondContact O-N 2.7Å
291D97.3Very high97.4Very high59 Ų5942.4 Ų42.432%0.31621%0.205SC..  trans-78115.3173.5-178.520.2000110.7R22 N273 S293R22-D291 IonicContact CZ-OD2 2.82Å; R22-D291 IonicContact NH2-OD2 3.82Å; R22-D291 PolarHBondContact NH2-OD2 3.19Å; N273-D291 PolarHBondContact ND2-OD1 3.2Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.44Å; D291-S293 PolarHBondContact OD2-OG 3.06Å
292V97.3Very high97.4Very high0 Ų041 Ų410%020%0.196CC..  trans-100.86.1176.1-63.40000113.1M127 T272 N273 T274 I290 T294 M295 L296M127-V292 HydrophobicContact CE-CB 3.9Å; M127-V292 HydrophobicContact CE-CG1 4.24Å; M127-V292 HydrophobicContact CE-CG2 4.25Å; M127-V292 HydrophobicContact SD-CB 3.92Å; M127-V292 HydrophobicContact SD-CG1 3.86Å; M127-V292 HydrophobicContact SD-CG2 3.88Å; T272-V292 HydrophobicContact CG2-CG1 3.64Å; N273-V292 WeakPolarHBondContact OD1-CG2 3.4Å; N273-V292 PolarHBondContact OD1-N 3.41Å; T274-V292 HydrophobicContact CG2-CG2 3.97Å; I290-V292 HydrophobicContact CG2-CG1 4.42Å; I290-V292 PolarHBondContact O-N 2.7Å; V292-T294 PolarHBondContact O-N 3.19Å; V292-M295 PolarHBondContact O-N 3.44Å; V292-M295 VanDerWaalsContact O-N 3.08Å; V292-L296 HydrophobicContact CG2-CD1 4.11Å; V292-L296 PolarHBondContact O-N 3.26Å; V292-L296 VanDerWaalsContact O-N 3.07Å
293S97.3Very high97.4Very high0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-59.5-32.8178.3630000112.7R22 D291 L296 A297R22-S293 PolarHBondContact NE-OG 3.27Å; R22-S293 PolarHBondContact NH2-OG 2.88Å; D291-S293 WeakPolarHBondContact OD1-CB 3.42Å; D291-S293 PolarHBondContact OD1-N 2.9Å; D291-S293 PolarHBondContact OD1-OG 3.44Å; D291-S293 PolarHBondContact OD2-OG 3.06Å; S293-L296 PolarHBondContact O-N 2.84Å; S293-A297 WeakPolarHBondContact O-CB 3.33Å; S293-A297 PolarHBondContact O-N 2.6Å
294T96.3Very high97.4Very high29 Ų2929 Ų2918%0.17815%0.151CC..Hα-helixtrans-63.5-41.7174.7-42.20000111.9R22 V292 E298 P317R22-T294 PolarHBondContact NE-OG1 3.01Å; R22-T294 PolarHBondContact NH1-OG1 3.23Å; R22-T294 PolarHBondContact NH2-OG1 3.4Å; V292-T294 PolarHBondContact O-N 3.19Å; T294-E298 VanDerWaalsContact O-CB 3.25Å; T294-E298 WeakPolarHBondContact O-CB 3.43Å; T294-E298 PolarHBondContact O-N 3.22Å; T294-P317 HydrophobicContact CG2-CB 4.18Å; T294-P317 HydrophobicContact CG2-CG 3.79Å
295M96.8Very high97.3Very high3 Ų332 Ų322%0.01517%0.166CC..Hα-helixtrans-68.1-43.5179.5-60.7-175.472.100111M127 Y146 A150 V292 A299 P317M127-M295 HydrophobicContact CE-CB 4.18Å; M127-M295 HydrophobicContact CE-SD 4.45Å; Y146-M295 WeakPolarHBondContact O-CE 3.33Å; A150-M295 HydrophobicContact CB-SD 4.09Å; V292-M295 PolarHBondContact O-N 3.44Å; V292-M295 VanDerWaalsContact O-N 3.08Å; M295-A299 WeakPolarHBondContact O-CB 3.19Å; M295-A299 PolarHBondContact O-N 3.36Å; M295-P317 HydrophobicContact CG-CG 4.27Å
296L97.8Very high97.2Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-67.8-42.2178.1-70.3165.6000112.1L15 I19 V88 P90 I125 M127 L145 V292 S293 A299 I300L15-L296 HydrophobicContact CD1-CD1 4.19Å; L15-L296 HydrophobicContact CD2-CD1 4.03Å; L15-L296 HydrophobicContact CG-CD1 4.46Å; I19-L296 HydrophobicContact CD1-CB 3.65Å; I19-L296 HydrophobicContact CD1-CD1 3.84Å; I19-L296 HydrophobicContact CD1-CG 4.38Å; I19-L296 HydrophobicContact CG1-CB 4.03Å; V88-L296 HydrophobicContact CG1-CD2 4.12Å; P90-L296 HydrophobicContact CB-CD1 4.25Å; P90-L296 HydrophobicContact CG-CD1 3.94Å; I125-L296 HydrophobicContact CG2-CD2 4.31Å; M127-L296 HydrophobicContact CE-CG 4.38Å; L145-L296 HydrophobicContact CD1-CD2 3.77Å; L145-L296 HydrophobicContact CD1-CG 4.44Å; V292-L296 HydrophobicContact CG2-CD1 4.11Å; V292-L296 PolarHBondContact O-N 3.26Å; V292-L296 VanDerWaalsContact O-N 3.07Å; S293-L296 PolarHBondContact O-N 2.84Å; L296-A299 PolarHBondContact O-N 3.03Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.49Å
297A97.8Very high97.1Very high5 Ų531.1 Ų31.14%0.04117%0.173CC..Hα-helixtrans-61.9-44.6175.800000111.8I19 R22 I23 S293 I300 R301I19-A297 HydrophobicContact CG2-CB 4.25Å; R22-A297 HydrophobicContact CB-CB 3.66Å; I23-A297 HydrophobicContact CD1-CB 4.49Å; I23-A297 HydrophobicContact CG1-CB 3.96Å; S293-A297 WeakPolarHBondContact O-CB 3.33Å; S293-A297 PolarHBondContact O-N 2.6Å; A297-I300 PolarHBondContact O-N 2.93Å; A297-R301 WeakPolarHBondContact O-CB 3.48Å; A297-R301 PolarHBondContact O-N 2.88Å
298E97.5Very high96.9Very high35 Ų3534.1 Ų34.116%0.16420%0.195CC..Hα-helixtrans-69.1-34.6178.6-176.659.9-171.800112T294 R301 R302 L312 P317T294-E298 VanDerWaalsContact O-CB 3.25Å; T294-E298 WeakPolarHBondContact O-CB 3.43Å; T294-E298 PolarHBondContact O-N 3.22Å; E298-R301 PolarHBondContact O-N 2.99Å; E298-R301 IonicContact OE1-CZ 2.78Å; E298-R301 IonicContact OE1-NE 3.87Å; E298-R301 IonicContact OE1-NH2 3.7Å; E298-R301 PolarHBondContact OE1-NH2 3.33Å; E298-R301 IonicContact OE2-CZ 3.19Å; E298-R301 IonicContact OE2-NE 3.12Å; E298-R301 PolarHBondContact OE2-NE 2.91Å; E298-R301 IonicContact OE2-NH2 3Å; E298-R302 WeakPolarHBondContact O-CB 3.44Å; E298-R302 WeakPolarHBondContact O-CG 3.31Å; E298-R302 PolarHBondContact O-N 2.95Å; E298-R302 IonicContact OE1-CZ 3.65Å; E298-R302 IonicContact OE1-NE 3Å; E298-R302 PolarHBondContact OE1-NE 3.41Å; E298-R302 IonicContact OE1-NH2 3.68Å; E298-R302 PolarHBondContact OE1-NH2 2.71Å; E298-L312 HydrophobicContact CB-CD1 4.17Å; E298-L312 HydrophobicContact CB-CD2 4.17Å; E298-L312 HydrophobicContact CG-CD1 4.06Å; E298-L312 HydrophobicContact CG-CD2 3.65Å; E298-L312 HydrophobicContact CG-CG 4.34Å; E298-P317 HydrophobicContact CB-CB 4.28Å; E298-P317 HydrophobicContact CB-CG 4.17Å; E298-P317 HydrophobicContact CG-CB 4.1Å; E298-P317 HydrophobicContact CG-CG 4.4Å
299A97.8Very high96.8Very high0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-61.4-50.7171.900000110.7I125 L145 M295 L296 R301 R302 T303 V309 L312I125-A299 HydrophobicContact CG2-CB 4.21Å; L145-A299 HydrophobicContact CD1-CB 3.7Å; L145-A299 HydrophobicContact CD2-CB 3.96Å; L145-A299 HydrophobicContact CG-CB 4.4Å; M295-A299 WeakPolarHBondContact O-CB 3.19Å; M295-A299 PolarHBondContact O-N 3.36Å; L296-A299 PolarHBondContact O-N 3.03Å; A299-R301 VanDerWaalsContact C-N 3.34Å; A299-R301 PolarHBondContact O-N 3.44Å; A299-R302 PolarHBondContact O-N 3.5Å; A299-T303 WeakPolarHBondContact O-CB 3.37Å; A299-T303 PolarHBondContact O-N 2.62Å; A299-T303 PolarHBondContact O-OG1 3.49Å; A299-V309 HydrophobicContact CB-CG1 4.31Å; A299-L312 HydrophobicContact CB-CD1 3.86Å
300I97.9Very high96.5Very high0 Ų031.7 Ų31.70%019%0.186CC..Hα-helixtrans-56.8-47.3176.3-69.5165.3000111.1I4 I19 I23 Y54 V88 I125 L296 A297 R302 T303 H304I4-I300 HydrophobicContact CD1-CG2 3.46Å; I4-I300 VanDerWaalsContact CD1-CG2 3.46Å; I19-I300 HydrophobicContact CG2-CD1 3.56Å; I23-I300 HydrophobicContact CD1-CB 3.96Å; I23-I300 HydrophobicContact CD1-CD1 4.05Å; I23-I300 HydrophobicContact CD1-CG2 3.58Å; Y54-I300 HydrophobicContact CD1-CB 4.24Å; Y54-I300 HydrophobicContact CD1-CD1 4.47Å; Y54-I300 HydrophobicContact CD1-CG1 3.79Å; Y54-I300 HydrophobicContact CD1-CG2 3.74Å; Y54-I300 HydrophobicContact CD2-CG2 3.93Å; Y54-I300 HydrophobicContact CE1-CB 4.27Å; Y54-I300 HydrophobicContact CE1-CG1 4.19Å; Y54-I300 HydrophobicContact CE1-CG2 3.78Å; Y54-I300 HydrophobicContact CE2-CG2 3.99Å; Y54-I300 HydrophobicContact CG-CG1 4.38Å; Y54-I300 HydrophobicContact CG-CG2 3.83Å; V88-I300 HydrophobicContact CG1-CD1 4.49Å; V88-I300 HydrophobicContact CG2-CD1 4.02Å; V88-I300 HydrophobicContact CG2-CG1 4.1Å; I125-I300 HydrophobicContact CD1-CG1 3.97Å; L296-I300 VanDerWaalsContact O-CG1 3.29Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.49Å; A297-I300 PolarHBondContact O-N 2.93Å; I300-R302 VanDerWaalsContact C-N 3.33Å; I300-R302 PolarHBondContact O-N 3.26Å; I300-T303 PolarHBondContact O-N 3.37Å; I300-H304 WeakPolarHBondContact O-CB 3.47Å; I300-H304 PolarHBondContact O-N 2.59Å
301R96.9Very high96.2Very high75 Ų7535.8 Ų35.828%0.28320%0.201SC..Hα-helixtrans-58.7-44.7178.7-168.2-16468.370.92.4111.4A297 E298 A299 H304 N305 E307A297-R301 WeakPolarHBondContact O-CB 3.48Å; A297-R301 PolarHBondContact O-N 2.88Å; E298-R301 PolarHBondContact O-N 2.99Å; E298-R301 IonicContact OE1-CZ 2.78Å; E298-R301 IonicContact OE1-NE 3.87Å; E298-R301 IonicContact OE1-NH2 3.7Å; E298-R301 PolarHBondContact OE1-NH2 3.33Å; E298-R301 IonicContact OE2-CZ 3.19Å; E298-R301 IonicContact OE2-NE 3.12Å; E298-R301 PolarHBondContact OE2-NE 2.91Å; E298-R301 IonicContact OE2-NH2 3Å; A299-R301 VanDerWaalsContact C-N 3.34Å; A299-R301 PolarHBondContact O-N 3.44Å; R301-H304 PolarHBondContact O-N 3.27Å; R301-N305 PolarHBondContact NH1-ND2 3.41Å; R301-N305 VanDerWaalsContact NH1-ND2 3.11Å; R301-N305 WeakPolarHBondContact O-CB 3.48Å; R301-N305 PolarHBondContact O-N 3.34Å; R301-E307 IonicContact CZ-OE1 3.83Å; R301-E307 IonicContact CZ-OE2 3.51Å; R301-E307 VanDerWaalsContact NH1-CD 3.25Å; R301-E307 IonicContact NH1-OE1 3.71Å; R301-E307 PolarHBondContact NH1-OE1 2.51Å; R301-E307 IonicContact NH1-OE2 2.82Å; R301-E307 PolarHBondContact NH1-OE2 3.41Å; R301-E307 VanDerWaalsContact NH1-OE2 3.09Å; R301-E307 IonicContact NH2-OE1 2.8Å; R301-E307 IonicContact NH2-OE2 3.35Å; R301-E307 PolarHBondContact NH2-OE2 3.1Å
302R96.8Very high95.9Very high38 Ų3833 Ų3314%0.14319%0.186CC..Hα-helixtrans-68.1-44.7179.3-73172.9178.1-86-16.4112.1E298 A299 I300 H304 N305 G306 E307 S308 V309E298-R302 WeakPolarHBondContact O-CB 3.44Å; E298-R302 WeakPolarHBondContact O-CG 3.31Å; E298-R302 PolarHBondContact O-N 2.95Å; E298-R302 IonicContact OE1-CZ 3.65Å; E298-R302 IonicContact OE1-NE 3Å; E298-R302 PolarHBondContact OE1-NE 3.41Å; E298-R302 IonicContact OE1-NH2 3.68Å; E298-R302 PolarHBondContact OE1-NH2 2.71Å; A299-R302 PolarHBondContact O-N 3.5Å; I300-R302 VanDerWaalsContact C-N 3.33Å; I300-R302 PolarHBondContact O-N 3.26Å; R302-H304 VanDerWaalsContact C-N 3.26Å; R302-H304 PolarHBondContact O-N 3Å; R302-N305 PolarHBondContact O-N 3.34Å; R302-G306 PolarHBondContact O-N 2.95Å; R302-E307 HydrophobicContact CB-CB 3.98Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 PolarHBondContact O-N 3.13Å; R302-S308 WeakPolarHBondContact CD-O 3.17Å; R302-S308 PolarHBondContact NH1-O 3.28Å; R302-V309 HydrophobicContact CB-CG2 3.86Å
303T97.1Very high95.5Very high16 Ų1635.7 Ų35.710%0.09820%0.198CC..Hα-helixtrans-59.6-37175.1-57.10000111.9Y54 R84 D143 A299 I300Y54-T303 HydrophobicContact CE1-CG2 4.25Å; R84-T303 PolarHBondContact NH2-O 2.83Å; D143-T303 PolarHBondContact OD2-OG1 3.28Å; A299-T303 WeakPolarHBondContact O-CB 3.37Å; A299-T303 PolarHBondContact O-N 2.62Å; A299-T303 PolarHBondContact O-OG1 3.49Å; I300-T303 PolarHBondContact O-N 3.37Å
304H96.8Very high95Very high35 Ų3540.4 Ų40.416%0.16222%0.224CC..Hα-helixtrans-68.1-45.8176-174.267000112.3P2 D52 Y54 I300 R301 R302 G306P2-H304 PolarHBondContact O-CE1 2.75Å; P2-H304 PolarHBondContact O-NE2 3.48Å; D52-H304 IonicContact OD2-CE1 2.74Å; D52-H304 IonicContact OD2-CG 3.21Å; D52-H304 IonicContact OD2-ND1 3.55Å; D52-H304 PolarHBondContact OD2-ND1 2.66Å; Y54-H304 WeakPolarHBondContact OH-CA 3.16Å; Y54-H304 PolarHBondContact OH-N 2.89Å; I300-H304 WeakPolarHBondContact O-CB 3.47Å; I300-H304 PolarHBondContact O-N 2.59Å; R301-H304 PolarHBondContact O-N 3.27Å; R302-H304 VanDerWaalsContact C-N 3.26Å; R302-H304 PolarHBondContact O-N 3Å; H304-G306 VanDerWaalsContact C-N 3.35Å; H304-G306 PolarHBondContact O-N 2.99Å
305N95.6Very high94.5Very high61 Ų6143.3 Ų43.333%0.32624%0.235SC..Hα-helixtrans-83.1-6.6-176.1-70.3-13.1000114.4R301 R302 E307R301-N305 PolarHBondContact NH1-ND2 3.41Å; R301-N305 VanDerWaalsContact NH1-ND2 3.11Å; R301-N305 WeakPolarHBondContact O-CB 3.48Å; R301-N305 PolarHBondContact O-N 3.34Å; R302-N305 PolarHBondContact O-N 3.34Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 HydrophobicContact CB-CG 3.85Å; N305-E307 VanDerWaalsContact CB-OE1 3.31Å; N305-E307 WeakPolarHBondContact CB-OE1 3.15Å; N305-E307 PolarHBondContact ND2-OE1 3.39Å
306G94.1Very high93.7Very high73 Ų7345.2 Ų45.275%0.75325%0.246SC*.THydrogen-bonded Turntrans70.827.1-172.300000113.1R302 H304R302-G306 PolarHBondContact O-N 2.95Å; H304-G306 VanDerWaalsContact C-N 3.35Å; H304-G306 PolarHBondContact O-N 2.99Å
307E95.4Very high92.9Very high75 Ų7545.8 Ų45.835%0.3525%0.25SS..  trans-90.1160.2176.7-64.9172.6-142.200111.3R301 R302 N305 V309R301-E307 IonicContact CZ-OE1 3.83Å; R301-E307 IonicContact CZ-OE2 3.51Å; R301-E307 VanDerWaalsContact NH1-CD 3.25Å; R301-E307 IonicContact NH1-OE1 3.71Å; R301-E307 PolarHBondContact NH1-OE1 2.51Å; R301-E307 IonicContact NH1-OE2 2.82Å; R301-E307 PolarHBondContact NH1-OE2 3.41Å; R301-E307 VanDerWaalsContact NH1-OE2 3.09Å; R301-E307 IonicContact NH2-OE1 2.8Å; R301-E307 IonicContact NH2-OE2 3.35Å; R301-E307 PolarHBondContact NH2-OE2 3.1Å; R302-E307 HydrophobicContact CB-CB 3.98Å; R302-E307 HydrophobicContact CG-CB 3.92Å; R302-E307 PolarHBondContact O-N 3.13Å; N305-E307 VanDerWaalsContact C-N 3.31Å; N305-E307 HydrophobicContact CB-CG 3.85Å; N305-E307 VanDerWaalsContact CB-OE1 3.31Å; N305-E307 WeakPolarHBondContact CB-OE1 3.15Å; N305-E307 PolarHBondContact ND2-OE1 3.39Å; E307-V309 PolarHBondContact O-N 3.06Å
308S94.7Very high91.6Very high71 Ų7156.4 Ų56.450%0.49731%0.305SS..  trans-70.7112-176.5-165.50000112.4R302 S310R302-S308 WeakPolarHBondContact CD-O 3.17Å; R302-S308 PolarHBondContact NH1-O 3.28Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact OG-OG 2.55Å
309V95.8Very high91.3Very high12 Ų1257.5 Ų57.57%0.07331%0.312CS..G310 helixtrans-70-28.2174.3-1800000111.9D143 L145 A299 R302 E307 Y311 L312D143-V309 HydrophobicContact CB-CG1 4.31Å; L145-V309 HydrophobicContact CD2-CG1 3.81Å; A299-V309 HydrophobicContact CB-CG1 4.31Å; R302-V309 HydrophobicContact CB-CG2 3.86Å; E307-V309 PolarHBondContact O-N 3.06Å; V309-Y311 PolarHBondContact O-N 2.92Å; V309-L312 HydrophobicContact CG1-CD1 4.38Å; V309-L312 WeakPolarHBondContact O-CB 3.37Å; V309-L312 PolarHBondContact O-N 2.95Å
310S92.2Very high91Very high60 Ų6060.5 Ų60.542%0.4233%0.329SS..G310 helixtrans-57.6-20.5-177.664.30000115.1S308 L312 F313S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 PolarHBondContact OG-OG 2.55Å; S310-L312 PolarHBondContact O-N 3.38Å; S310-F313 WeakPolarHBondContact O-CB 3.39Å; S310-F313 PolarHBondContact O-N 2.82Å; S310-F313 VanDerWaalsContact O-N 3.15Å
311Y90.7Very high90.6Very high104 Ų10463.9 Ų63.941%0.40835%0.347SS..G310 helixtrans-54.3-37.7172.2174.6-102000111.9V309 F313 N314 H315V309-Y311 PolarHBondContact O-N 2.92Å; Y311-F313 PolarHBondContact O-N 2.86Å; Y311-N314 PolarHBondContact O-N 2.87Å; Y311-H315 HydrophobicContact CD1-CB 4.42Å; Y311-H315 AromaticContact CD2-ND1 3.8Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 4.02Å; Y311-H315 AromaticContact CE2-CG 3.69Å; Y311-H315 AromaticContact CE2-ND1 3.64Å; Y311-H315 AromaticContact CZ-CG 3.79Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact O-ND1 2.86Å; Y311-H315 VanDerWaalsContact O-ND1 3.13Å
312L91.6Very high90.2Very high1 Ų163.2 Ų63.21%0.00535%0.351CS..G310 helixtrans-72.2-14.3-177.2-59.4176.9000113.8L145 E298 A299 V309 S310 N314 P317L145-L312 HydrophobicContact CD2-CD1 4.47Å; E298-L312 HydrophobicContact CB-CD1 4.17Å; E298-L312 HydrophobicContact CB-CD2 4.17Å; E298-L312 HydrophobicContact CG-CD1 4.06Å; E298-L312 HydrophobicContact CG-CD2 3.65Å; E298-L312 HydrophobicContact CG-CG 4.34Å; A299-L312 HydrophobicContact CB-CD1 3.86Å; V309-L312 HydrophobicContact CG1-CD1 4.38Å; V309-L312 WeakPolarHBondContact O-CB 3.37Å; V309-L312 PolarHBondContact O-N 2.95Å; S310-L312 PolarHBondContact O-N 3.38Å; L312-N314 PolarHBondContact O-N 2.93Å; L312-P317 HydrophobicContact CD2-CB 4.14Å; L312-P317 HydrophobicContact CD2-CG 3.83Å
313F88.9Confident89.8Confident56 Ų5664.8 Ų64.825%0.24636%0.364CS..G310 helixtrans-70.4-24.7179.4-59.1-17.6000112.3N144 L145 Y146 P149 S310 Y311N144-F313 WeakPolarHBondContact O-CE1 3.43Å; L145-F313 HydrophobicContact CD2-CE1 4.08Å; Y146-F313 HydrophobicContact CD2-CB 3.97Å; Y146-F313 AromaticContact CD2-CD1 3.75Å; Y146-F313 HydrophobicContact CD2-CD1 3.75Å; Y146-F313 HydrophobicContact CD2-CE1 4.43Å; Y146-F313 AromaticContact CD2-CG 3.9Å; Y146-F313 HydrophobicContact CD2-CG 3.9Å; Y146-F313 HydrophobicContact CE2-CB 4.32Å; Y146-F313 AromaticContact CE2-CD1 3.98Å; Y146-F313 HydrophobicContact CE2-CD1 3.98Å; Y146-F313 HydrophobicContact CE2-CD2 4.3Å; Y146-F313 HydrophobicContact CE2-CE1 4.35Å; Y146-F313 AromaticContact CE2-CG 3.96Å; Y146-F313 HydrophobicContact CE2-CG 3.96Å; P149-F313 WeakPolarHBondContact CG-O 3.36Å; S310-F313 WeakPolarHBondContact O-CB 3.39Å; S310-F313 PolarHBondContact O-N 2.82Å; S310-F313 VanDerWaalsContact O-N 3.15Å; Y311-F313 PolarHBondContact O-N 2.86Å
314N87.2Confident89.3Confident100 Ų10068.1 Ų68.154%0.53538%0.382SS..THydrogen-bonded Turntrans-121.9-6.9-177.6-60.8-51.9000113.7Y311 L312Y311-N314 PolarHBondContact O-N 2.87Å; L312-N314 PolarHBondContact O-N 2.93Å
315H84.8Confident88.8Confident90 Ų9070.4 Ų70.442%0.41740%0.397SS..  trans-133.3133.6-174.3-56.585.6000111.1Y311 P317Y311-H315 HydrophobicContact CD1-CB 4.42Å; Y311-H315 AromaticContact CD2-ND1 3.8Å; Y311-H315 HydrophobicContact CE1-CB 3.86Å; Y311-H315 HydrophobicContact CE2-CB 4.02Å; Y311-H315 AromaticContact CE2-CG 3.69Å; Y311-H315 AromaticContact CE2-ND1 3.64Å; Y311-H315 AromaticContact CZ-CG 3.79Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact O-ND1 2.86Å; Y311-H315 VanDerWaalsContact O-ND1 3.13Å; H315-P317 WeakPolarHBondContact O-CD 3.3Å
316V80.8Confident88.3Confident42 Ų4271.2 Ų71.226%0.25540%0.403SS..  trans-77.8120.2166.1-173.90000107.5P149 A150 K153P149-V316 HydrophobicContact CB-CG2 3.53Å; P149-V316 VanDerWaalsContact O-CG2 3.24Å; P149-V316 WeakPolarHBondContact O-CG2 3.35Å; A150-V316 HydrophobicContact CB-CG2 4.28Å; K153-V316 HydrophobicContact CB-CG2 4.47Å; K153-V316 HydrophobicContact CD-CG1 4.42Å; K153-V316 HydrophobicContact CD-CG2 4.4Å
317P80.9Confident87.8Confident13 Ų1371 Ų718%0.08437%0.374CS..  trans-60.5144.6174.224.4-30.8000110.5T294 M295 E298 L312 H315T294-P317 HydrophobicContact CG2-CB 4.18Å; T294-P317 HydrophobicContact CG2-CG 3.79Å; M295-P317 HydrophobicContact CG-CG 4.27Å; E298-P317 HydrophobicContact CB-CB 4.28Å; E298-P317 HydrophobicContact CB-CG 4.17Å; E298-P317 HydrophobicContact CG-CB 4.1Å; E298-P317 HydrophobicContact CG-CG 4.4Å; L312-P317 HydrophobicContact CD2-CB 4.14Å; L312-P317 HydrophobicContact CD2-CG 3.83Å; H315-P317 WeakPolarHBondContact O-CD 3.3Å
318L70.4Confident87.1Confident228 Ų22870.6 Ų70.6100%1.19438%0.376SS*.  trans-67.50-179.8-70.9169.7000111.8

Retrieved 318 of 318 residues in 976 ms (Link to these results)

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