A0A087WRJ1_MOUSE Loading...

Zinc finger protein 1006

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WRJ1, Species MOUSE (Mus musculus, Mouse), Gene Zfp1006, Length 410 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low62.7Low241 Ų241104.5 Ų104.5100%1.18757%0.567SS**  0120.70-76.8178.5-170.600105.5
2D53.9Low63.5Low165 Ų165106 Ų10688%0.88257%0.574SS**PPolyproline II helixtrans-63.9137.1173.1-63.9-40.1000108.7V4D2-V4 PolarHBondContact O-N 3.38Å
3A62.8Low64.1Low84 Ų84103.4 Ų103.469%0.69455%0.554SS**PPolyproline II helixtrans-69.9122.7179.800000109T5A3-T5 PolarHBondContact O-N 3.28Å
4V62.8Low64.7Low82 Ų82101.4 Ų101.450%0.49755%0.548SS..PPolyproline II helixtrans-61.1125.2171.4179.60000108.3D2 D8 V9 Y45D2-V4 PolarHBondContact O-N 3.38Å; V4-D8 HydrophobicContact CG1-CB 4.09Å; V4-V9 HydrophobicContact CG1-CG1 4.04Å; V4-Y45 WeakPolarHBondContact O-CE2 3.5Å
5T64.2Low64.5Low56 Ų56104.2 Ų104.234%0.34456%0.556SS.*PPolyproline II helixtrans-99.1164.8179.969.90000111.3A3 D7 D8A3-T5 PolarHBondContact O-N 3.28Å; T5-D7 PolarHBondContact O-N 3.35Å; T5-D8 WeakPolarHBondContact CB-OD2 3.37Å; T5-D8 PolarHBondContact N-OD2 2.9Å; T5-D8 WeakPolarHBondContact O-CB 3.39Å; T5-D8 PolarHBondContact O-N 3.19Å; T5-D8 VanDerWaalsContact O-N 3.11Å; T5-D8 VanDerWaalsContact OG1-CG 3.27Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å
6Y62.8Low64.6Low89 Ų89107.8 Ų107.835%0.34957%0.568SS.*Hα-helixtrans-55.1-40.6175.2176.4-100.2000112.6D8 V9 H10 W47Y6-D8 PolarHBondContact O-N 2.83Å; Y6-V9 WeakPolarHBondContact O-CG2 3.32Å; Y6-V9 PolarHBondContact O-N 3.48Å; Y6-H10 HydrophobicContact CD1-CB 3.91Å; Y6-H10 HydrophobicContact CD2-CB 4.38Å; Y6-H10 HydrophobicContact CE1-CB 3.67Å; Y6-H10 AromaticContact CE1-CD2 3.61Å; Y6-H10 AromaticContact CE1-CG 3.5Å; Y6-H10 VanDerWaalsContact CE1-CG 3.5Å; Y6-H10 HydrophobicContact CE2-CB 4.19Å; Y6-H10 AromaticContact CE2-CD2 3.72Å; Y6-H10 HydrophobicContact CG-CB 4.3Å; Y6-H10 AromaticContact CZ-CD2 3.1Å; Y6-H10 AromaticContact CZ-CG 3.51Å; Y6-H10 AromaticContact CZ-NE2 3.81Å; Y6-H10 WeakPolarHBondContact O-CB 3.3Å; Y6-H10 PolarHBondContact O-N 3.41Å; Y6-H10 PolarHBondContact OH-CD2 3.05Å; Y6-H10 PolarHBondContact OH-NE2 3.26Å; Y6-W47 AromaticContact CD2-CH2 3.48Å; Y6-W47 HydrophobicContact CD2-CH2 3.48Å; Y6-W47 VanDerWaalsContact CD2-CH2 3.48Å; Y6-W47 AromaticContact CD2-CZ3 3.53Å; Y6-W47 HydrophobicContact CD2-CZ3 3.53Å; Y6-W47 AromaticContact CE2-CH2 3.72Å; Y6-W47 HydrophobicContact CE2-CH2 3.72Å; Y6-W47 AromaticContact CE2-CZ3 3.87Å; Y6-W47 HydrophobicContact CE2-CZ3 3.87Å; Y6-W47 HydrophobicContact CG-CZ3 4.22Å
7D65.5Low64.9Low124 Ų124106.8 Ų106.866%0.66356%0.56SS**Hα-helixtrans-68.3-20.9-179-67.9-30.7000112.7T5 V9T5-D7 PolarHBondContact O-N 3.35Å; D7-V9 VanDerWaalsContact C-N 3.34Å
8D66.5Low66Low112 Ų112104.9 Ų104.960%0.59954%0.544SS*.Hα-helixtrans-75.2-23.6175.8-61.3-49.6000112.8V4 T5 Y6V4-D8 HydrophobicContact CG1-CB 4.09Å; T5-D8 WeakPolarHBondContact CB-OD2 3.37Å; T5-D8 PolarHBondContact N-OD2 2.9Å; T5-D8 WeakPolarHBondContact O-CB 3.39Å; T5-D8 PolarHBondContact O-N 3.19Å; T5-D8 VanDerWaalsContact O-N 3.11Å; T5-D8 VanDerWaalsContact OG1-CG 3.27Å; T5-D8 PolarHBondContact OG1-OD2 3.17Å; Y6-D8 PolarHBondContact O-N 2.83Å
9V69Low66.7Low55 Ų55104.7 Ų104.733%0.33354%0.544SS..Hα-helixtrans-115.3-15.6-176.8-73.80000113.9V4 Y6 D7 T36 L40V4-V9 HydrophobicContact CG1-CG1 4.04Å; Y6-V9 WeakPolarHBondContact O-CG2 3.32Å; Y6-V9 PolarHBondContact O-N 3.48Å; D7-V9 VanDerWaalsContact C-N 3.34Å; V9-T36 HydrophobicContact CB-CG2 3.77Å; V9-T36 HydrophobicContact CG2-CG2 3.73Å; V9-L40 HydrophobicContact CG2-CD1 3.98Å; V9-L40 HydrophobicContact CG2-CD2 4.47Å
10H69.5Low67.5Low30 Ų30106.9 Ų106.914%0.13956%0.555CS.*  trans-87.3110.9-177.1-175.1-84.5000112.5Y6 N12 M33Y6-H10 HydrophobicContact CD1-CB 3.91Å; Y6-H10 HydrophobicContact CD2-CB 4.38Å; Y6-H10 HydrophobicContact CE1-CB 3.67Å; Y6-H10 AromaticContact CE1-CD2 3.61Å; Y6-H10 AromaticContact CE1-CG 3.5Å; Y6-H10 VanDerWaalsContact CE1-CG 3.5Å; Y6-H10 HydrophobicContact CE2-CB 4.19Å; Y6-H10 AromaticContact CE2-CD2 3.72Å; Y6-H10 HydrophobicContact CG-CB 4.3Å; Y6-H10 AromaticContact CZ-CD2 3.1Å; Y6-H10 AromaticContact CZ-CG 3.51Å; Y6-H10 AromaticContact CZ-NE2 3.81Å; Y6-H10 WeakPolarHBondContact O-CB 3.3Å; Y6-H10 PolarHBondContact O-N 3.41Å; Y6-H10 PolarHBondContact OH-CD2 3.05Å; Y6-H10 PolarHBondContact OH-NE2 3.26Å; H10-N12 PolarHBondContact CE1-OD1 3.34Å; H10-N12 PolarHBondContact ND1-ND2 3.49Å; H10-N12 PolarHBondContact ND1-OD1 3.22Å; H10-N12 PolarHBondContact O-N 3.48Å; H10-M33 WeakPolarHBondContact CD2-CE 3.24Å
11M70.5Confident68.1Low111 Ų111103.2 Ų103.255%0.54754%0.537SS..PPolyproline II helixtrans-82116.6170.2-69-163.7-41.500111.2F13 Y29M11-F13 HydrophobicContact CE-CE2 4.3Å; M11-F13 HydrophobicContact CE-CZ 4.4Å; M11-Y29 HydrophobicContact CB-CE2 4.35Å; M11-Y29 HydrophobicContact CE-CD2 4.28Å; M11-Y29 HydrophobicContact CE-CE2 4.49Å; M11-Y29 WeakPolarHBondContact O-CE2 3.26Å; M11-Y29 PolarHBondContact O-OH 3.43Å
12N72.4Confident69.9Low123 Ų12395.4 Ų95.466%0.65850%0.5SS*.PPolyproline II helixtrans-89.3127171.3-76.6-65.7000110.8H10H10-N12 PolarHBondContact CE1-OD1 3.34Å; H10-N12 PolarHBondContact ND1-ND2 3.49Å; H10-N12 PolarHBondContact ND1-OD1 3.22Å; H10-N12 PolarHBondContact O-N 3.48Å
13F71.5Confident70.8Confident72 Ų7292.5 Ų92.532%0.31649%0.493SS..PPolyproline II helixtrans-95.5134.5164.4-74.4-77.4000110.3M11 E17 W18 L21 Y29M11-F13 HydrophobicContact CE-CE2 4.3Å; M11-F13 HydrophobicContact CE-CZ 4.4Å; F13-E17 HydrophobicContact CD1-CB 3.81Å; F13-W18 HydrophobicContact CB-CB 4.26Å; F13-W18 HydrophobicContact CB-CE3 4.02Å; F13-W18 AromaticContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CE3 3.81Å; F13-W18 AromaticContact CD2-CZ3 3.96Å; F13-W18 HydrophobicContact CD2-CZ3 3.96Å; F13-W18 HydrophobicContact CE2-CZ3 4.44Å; F13-W18 HydrophobicContact CG-CE3 4.01Å; F13-L21 HydrophobicContact CD1-CD1 4.2Å; F13-L21 HydrophobicContact CD2-CD1 4.29Å; F13-L21 HydrophobicContact CE1-CD1 3.9Å; F13-L21 HydrophobicContact CE1-CD2 4.32Å; F13-L21 HydrophobicContact CE1-CG 4.45Å; F13-L21 HydrophobicContact CE2-CD1 4Å; F13-L21 HydrophobicContact CG-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.8Å; F13-L21 HydrophobicContact CZ-CD2 4.49Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 AromaticContact CD2-CE2 3.66Å; F13-Y29 HydrophobicContact CD2-CE2 3.66Å; F13-Y29 HydrophobicContact CD2-CG 4.45Å; F13-Y29 AromaticContact CE2-CD2 3.4Å; F13-Y29 HydrophobicContact CE2-CD2 3.4Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.4Å; F13-Y29 AromaticContact CE2-CE2 3.56Å; F13-Y29 HydrophobicContact CE2-CE2 3.56Å; F13-Y29 HydrophobicContact CE2-CG 4.06Å
14T72.1Confident71.5Confident76 Ų7692.4 Ų92.447%0.46649%0.487SS..PPolyproline II helixtrans-67.2162.8162.363.50000110.6E16 E17 W18T14-E16 PolarHBondContact O-N 3.48Å; T14-E17 WeakPolarHBondContact CB-OE2 3.46Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.39Å; T14-E17 PolarHBondContact N-OE2 3.24Å; T14-E17 PolarHBondContact O-N 3.24Å; T14-E17 WeakPolarHBondContact OG1-CB 3.1Å; T14-E17 WeakPolarHBondContact OG1-CG 3.41Å; T14-E17 PolarHBondContact OG1-N 2.89Å; T14-E17 PolarHBondContact OG1-OE2 3.13Å; T14-W18 WeakPolarHBondContact O-CB 3.46Å; T14-W18 PolarHBondContact O-N 2.77Å
15E61.6Low72.3Confident143 Ų14392.7 Ų92.767%0.66848%0.482SS*.Hα-helixtrans-60.4-36.1178-172.6170.9-171.800111.8D19E15-D19 PolarHBondContact O-N 3.18Å; E15-D19 VanDerWaalsContact O-N 3.14Å
16E65.8Low73.2Confident161 Ų16192.4 Ų92.475%0.75248%0.476SS*.Hα-helixtrans-67.8-45178.2-65174.1-178.300111.7T14 D19 L20T14-E16 PolarHBondContact O-N 3.48Å; E16-D19 PolarHBondContact O-N 3.39Å; E16-L20 WeakPolarHBondContact O-CG 3.45Å; E16-L20 PolarHBondContact O-N 3.37Å
17E70.7Confident73.9Confident91 Ų9195.9 Ų95.943%0.42549%0.489SS..Hα-helixtrans-67.7-39.3176.9-66.1161.7143.800111.8F13 T14 D19 L20 L21F13-E17 HydrophobicContact CD1-CB 3.81Å; T14-E17 WeakPolarHBondContact CB-OE2 3.46Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.39Å; T14-E17 PolarHBondContact N-OE2 3.24Å; T14-E17 PolarHBondContact O-N 3.24Å; T14-E17 WeakPolarHBondContact OG1-CB 3.1Å; T14-E17 WeakPolarHBondContact OG1-CG 3.41Å; T14-E17 PolarHBondContact OG1-N 2.89Å; T14-E17 PolarHBondContact OG1-OE2 3.13Å; E17-D19 VanDerWaalsContact C-N 3.28Å; E17-D19 PolarHBondContact O-N 3.04Å; E17-L20 WeakPolarHBondContact O-CB 3.47Å; E17-L20 PolarHBondContact O-N 2.93Å; E17-L20 VanDerWaalsContact O-N 3.15Å; E17-L21 PolarHBondContact O-N 3.3Å
18W83.9Confident74.5Confident74 Ų7495 Ų9528%0.2848%0.484SS..Hα-helixtrans-63.2-35.2177.9-172.7-100.9000112.3F13 T14 L20 L21 K26 Y29F13-W18 HydrophobicContact CB-CB 4.26Å; F13-W18 HydrophobicContact CB-CE3 4.02Å; F13-W18 AromaticContact CD2-CE3 3.81Å; F13-W18 HydrophobicContact CD2-CE3 3.81Å; F13-W18 AromaticContact CD2-CZ3 3.96Å; F13-W18 HydrophobicContact CD2-CZ3 3.96Å; F13-W18 HydrophobicContact CE2-CZ3 4.44Å; F13-W18 HydrophobicContact CG-CE3 4.01Å; T14-W18 WeakPolarHBondContact O-CB 3.46Å; T14-W18 PolarHBondContact O-N 2.77Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 PolarHBondContact O-N 3.42Å; W18-L21 HydrophobicContact CD2-CD1 4.4Å; W18-L21 HydrophobicContact CE3-CD1 3.7Å; W18-L21 HydrophobicContact CZ3-CD1 3.96Å; W18-L21 PolarHBondContact O-N 3.43Å; W18-K26 HydrophobicContact CD2-CG 4.46Å; W18-K26 HydrophobicContact CH2-CB 4.07Å; W18-K26 HydrophobicContact CH2-CG 3.92Å; W18-K26 HydrophobicContact CZ2-CB 3.97Å; W18-K26 HydrophobicContact CZ2-CD 3.94Å; W18-K26 HydrophobicContact CZ2-CG 3.63Å; W18-K26 HydrophobicContact CZ3-CG 4.45Å; W18-K26 WeakPolarHBondContact O-CE 3.48Å; W18-K26 PolarHBondContact O-NZ 3.46Å; W18-Y29 AromaticContact CH2-CD1 3.52Å; W18-Y29 HydrophobicContact CH2-CD1 3.52Å; W18-Y29 HydrophobicContact CH2-CE1 4.05Å; W18-Y29 HydrophobicContact CH2-CG 4.23Å; W18-Y29 AromaticContact CZ3-CD1 3.38Å; W18-Y29 HydrophobicContact CZ3-CD1 3.38Å; W18-Y29 AromaticContact CZ3-CE1 3.74Å; W18-Y29 HydrophobicContact CZ3-CE1 3.74Å; W18-Y29 AromaticContact CZ3-CG 3.84Å; W18-Y29 HydrophobicContact CZ3-CG 3.84Å
19D79.6Confident75.3Confident100 Ų10091.8 Ų91.854%0.53546%0.463SS..Hα-helixtrans-72.9-20.7177.7-89-6.2000113.2E15 E16 E17 L21E15-D19 PolarHBondContact O-N 3.18Å; E15-D19 VanDerWaalsContact O-N 3.14Å; E16-D19 PolarHBondContact O-N 3.39Å; E17-D19 VanDerWaalsContact C-N 3.28Å; E17-D19 PolarHBondContact O-N 3.04Å; D19-L21 VanDerWaalsContact C-N 3.33Å
20L82.2Confident75.7Confident148 Ų14894.9 Ų94.978%0.77547%0.474SS*.Hα-helixtrans-76.5-19.3172.2-65.3172.6000113.1E16 E17 W18E16-L20 WeakPolarHBondContact O-CG 3.45Å; E16-L20 PolarHBondContact O-N 3.37Å; E17-L20 WeakPolarHBondContact O-CB 3.47Å; E17-L20 PolarHBondContact O-N 2.93Å; E17-L20 VanDerWaalsContact O-N 3.15Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 PolarHBondContact O-N 3.42Å
21L80.2Confident75.9Confident30 Ų3097.9 Ų97.916%0.15749%0.489CS..  trans-76135-179.8-60.1178.3000112.3F13 E17 W18 D19 Q25 K26F13-L21 HydrophobicContact CD1-CD1 4.2Å; F13-L21 HydrophobicContact CD2-CD1 4.29Å; F13-L21 HydrophobicContact CE1-CD1 3.9Å; F13-L21 HydrophobicContact CE1-CD2 4.32Å; F13-L21 HydrophobicContact CE1-CG 4.45Å; F13-L21 HydrophobicContact CE2-CD1 4Å; F13-L21 HydrophobicContact CG-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.8Å; F13-L21 HydrophobicContact CZ-CD2 4.49Å; E17-L21 PolarHBondContact O-N 3.3Å; W18-L21 HydrophobicContact CD2-CD1 4.4Å; W18-L21 HydrophobicContact CE3-CD1 3.7Å; W18-L21 HydrophobicContact CZ3-CD1 3.96Å; W18-L21 PolarHBondContact O-N 3.43Å; D19-L21 VanDerWaalsContact C-N 3.33Å; L21-Q25 VanDerWaalsContact CA-OE1 3.3Å; L21-Q25 HydrophobicContact CB-CB 4.06Å; L21-Q25 HydrophobicContact CD2-CB 4.05Å; L21-Q25 HydrophobicContact CG-CB 4.49Å; L21-K26 HydrophobicContact CB-CD 4.48Å; L21-K26 HydrophobicContact CB-CG 3.85Å; L21-K26 HydrophobicContact CD1-CG 4.4Å; L21-K26 WeakPolarHBondContact O-CE 3.33Å; L21-K26 PolarHBondContact O-NZ 3.15Å
22D80.6Confident76.3Confident77 Ų7795.5 Ų95.541%0.41248%0.48SS..  trans-74.4174.6170.672.844000112.4S24 Q25 K26D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 3.48Å; D22-S24 WeakPolarHBondContact OD1-CA 3.25Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 3.11Å; D22-S24 PolarHBondContact OD1-OG 2.97Å; D22-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.4Å; D22-Q25 PolarHBondContact OD1-N 3.21Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 2.78Å
23S73.5Confident76.7Confident105 Ų10591.3 Ų91.373%0.73446%0.457SS*.Hα-helixtrans-67-30.5-176.5-59.70000113.6R27S23-R27 WeakPolarHBondContact O-CB 3.46Å; S23-R27 PolarHBondContact O-N 2.85Å
24S76.1Confident76.8Confident82 Ų8293.2 Ų93.257%0.57347%0.47SS*.Hα-helixtrans-71.4-43.3175.718.60000111.2D22 R27 L28D22-S24 VanDerWaalsContact C-N 3.32Å; D22-S24 PolarHBondContact O-N 3.48Å; D22-S24 WeakPolarHBondContact OD1-CA 3.25Å; D22-S24 WeakPolarHBondContact OD1-CB 3.38Å; D22-S24 PolarHBondContact OD1-N 3.11Å; D22-S24 PolarHBondContact OD1-OG 2.97Å; S24-R27 PolarHBondContact O-N 3.37Å; S24-L28 WeakPolarHBondContact O-CB 3.22Å; S24-L28 PolarHBondContact O-N 3.04Å
25Q79.6Confident76.9Confident87 Ų8794.9 Ų94.941%0.40747%0.472SS..Hα-helixtrans-64.1-43.7177.9-68.8172.9-44.200111.8L21 D22 R27 L28 Y29L21-Q25 VanDerWaalsContact CA-OE1 3.3Å; L21-Q25 HydrophobicContact CB-CB 4.06Å; L21-Q25 HydrophobicContact CD2-CB 4.05Å; L21-Q25 HydrophobicContact CG-CB 4.49Å; D22-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 WeakPolarHBondContact OD1-CG 3.4Å; D22-Q25 PolarHBondContact OD1-N 3.21Å; Q25-R27 VanDerWaalsContact C-N 3.3Å; Q25-R27 PolarHBondContact O-N 3.23Å; Q25-L28 PolarHBondContact O-N 3.06Å; Q25-Y29 WeakPolarHBondContact O-CB 3.34Å; Q25-Y29 PolarHBondContact O-N 3.42Å
26K84.3Confident77.5Confident50 Ų5089.4 Ų89.422%0.21745%0.449CS..Hα-helixtrans-60.4-41175.6-72.3176.8177.1168.30112.1W18 L21 D22 Y29 E30W18-K26 HydrophobicContact CD2-CG 4.46Å; W18-K26 HydrophobicContact CH2-CB 4.07Å; W18-K26 HydrophobicContact CH2-CG 3.92Å; W18-K26 HydrophobicContact CZ2-CB 3.97Å; W18-K26 HydrophobicContact CZ2-CD 3.94Å; W18-K26 HydrophobicContact CZ2-CG 3.63Å; W18-K26 HydrophobicContact CZ3-CG 4.45Å; W18-K26 WeakPolarHBondContact O-CE 3.48Å; W18-K26 PolarHBondContact O-NZ 3.46Å; L21-K26 HydrophobicContact CB-CD 4.48Å; L21-K26 HydrophobicContact CB-CG 3.85Å; L21-K26 HydrophobicContact CD1-CG 4.4Å; L21-K26 WeakPolarHBondContact O-CE 3.33Å; L21-K26 PolarHBondContact O-NZ 3.15Å; D22-K26 WeakPolarHBondContact O-CG 3.48Å; D22-K26 PolarHBondContact O-N 2.78Å; K26-Y29 PolarHBondContact O-N 3.13Å; K26-E30 WeakPolarHBondContact O-CG 3.3Å; K26-E30 PolarHBondContact O-N 2.86Å
27R76.7Confident77.8Confident163 Ų16387.5 Ų87.562%0.61544%0.435SS*.Hα-helixtrans-67.6-44.4177.3-176.8177.9178.6160.74.8111.9S23 S24 Q25 Y29 E30 E31S23-R27 WeakPolarHBondContact O-CB 3.46Å; S23-R27 PolarHBondContact O-N 2.85Å; S24-R27 PolarHBondContact O-N 3.37Å; Q25-R27 VanDerWaalsContact C-N 3.3Å; Q25-R27 PolarHBondContact O-N 3.23Å; R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 PolarHBondContact O-N 3.17Å; R27-E30 PolarHBondContact O-N 3.19Å; R27-E31 WeakPolarHBondContact CG-OE1 3.48Å; R27-E31 IonicContact CZ-OE1 3.82Å; R27-E31 IonicContact NE-OE1 3.73Å; R27-E31 PolarHBondContact NE-OE1 3.49Å; R27-E31 IonicContact NH2-OE1 3.8Å; R27-E31 WeakPolarHBondContact O-CG 2.91Å; R27-E31 PolarHBondContact O-N 3.45Å
28L78.7Confident77.8Confident105 Ų10588.7 Ų88.755%0.5544%0.441SS..Hα-helixtrans-59.9-42.6176-179.363.7000110.9S24 Q25 E31 V32S24-L28 WeakPolarHBondContact O-CB 3.22Å; S24-L28 PolarHBondContact O-N 3.04Å; Q25-L28 PolarHBondContact O-N 3.06Å; L28-E31 PolarHBondContact O-N 3.48Å; L28-V32 HydrophobicContact CD1-CG2 4.23Å; L28-V32 HydrophobicContact CG-CG2 4.38Å; L28-V32 WeakPolarHBondContact O-CB 3.44Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.26Å; L28-V32 PolarHBondContact O-N 2.89Å
29Y82.3Confident77.3Confident44 Ų4489.1 Ų89.117%0.17345%0.449CS..Hα-helixtrans-58.8-47.3173.7174.8-96.6000112.1M11 F13 W18 Q25 K26 R27 E31 V32 M33M11-Y29 HydrophobicContact CB-CE2 4.35Å; M11-Y29 HydrophobicContact CE-CD2 4.28Å; M11-Y29 HydrophobicContact CE-CE2 4.49Å; M11-Y29 WeakPolarHBondContact O-CE2 3.26Å; M11-Y29 PolarHBondContact O-OH 3.43Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 AromaticContact CD2-CE2 3.66Å; F13-Y29 HydrophobicContact CD2-CE2 3.66Å; F13-Y29 HydrophobicContact CD2-CG 4.45Å; F13-Y29 AromaticContact CE2-CD2 3.4Å; F13-Y29 HydrophobicContact CE2-CD2 3.4Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.4Å; F13-Y29 AromaticContact CE2-CE2 3.56Å; F13-Y29 HydrophobicContact CE2-CE2 3.56Å; F13-Y29 HydrophobicContact CE2-CG 4.06Å; W18-Y29 AromaticContact CH2-CD1 3.52Å; W18-Y29 HydrophobicContact CH2-CD1 3.52Å; W18-Y29 HydrophobicContact CH2-CE1 4.05Å; W18-Y29 HydrophobicContact CH2-CG 4.23Å; W18-Y29 AromaticContact CZ3-CD1 3.38Å; W18-Y29 HydrophobicContact CZ3-CD1 3.38Å; W18-Y29 AromaticContact CZ3-CE1 3.74Å; W18-Y29 HydrophobicContact CZ3-CE1 3.74Å; W18-Y29 AromaticContact CZ3-CG 3.84Å; W18-Y29 HydrophobicContact CZ3-CG 3.84Å; Q25-Y29 WeakPolarHBondContact O-CB 3.34Å; Q25-Y29 PolarHBondContact O-N 3.42Å; K26-Y29 PolarHBondContact O-N 3.13Å; R27-Y29 VanDerWaalsContact C-N 3.29Å; R27-Y29 PolarHBondContact O-N 3.17Å; Y29-E31 VanDerWaalsContact C-N 3.31Å; Y29-E31 PolarHBondContact O-N 3.37Å; Y29-V32 PolarHBondContact O-N 3.46Å; Y29-M33 HydrophobicContact CD1-CG 4.12Å; Y29-M33 HydrophobicContact CD2-CG 4.04Å; Y29-M33 HydrophobicContact CE1-CG 3.77Å; Y29-M33 HydrophobicContact CE2-CG 3.71Å; Y29-M33 HydrophobicContact CE2-SD 3.9Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CB 3.43Å; Y29-M33 VanDerWaalsContact O-CG 3.24Å; Y29-M33 WeakPolarHBondContact O-CG 3.39Å; Y29-M33 PolarHBondContact O-N 3.28Å
30E77.8Confident76.9Confident120 Ų12084.8 Ų84.856%0.56143%0.426SS*.Hα-helixtrans-58.4-42.4176.2-73.8176.6179.200112.1K26 R27 L34K26-E30 WeakPolarHBondContact O-CG 3.3Å; K26-E30 PolarHBondContact O-N 2.86Å; R27-E30 PolarHBondContact O-N 3.19Å; E30-L34 VanDerWaalsContact O-CG 3.3Å; E30-L34 WeakPolarHBondContact O-CG 3.26Å; E30-L34 PolarHBondContact O-N 2.86Å; E30-L34 VanDerWaalsContact O-N 3.12Å
31E73.3Confident76.4Confident94 Ų9480.9 Ų80.944%0.43941%0.408SS..Hα-helixtrans-65.1-47.6178.6-72.5171.8-170.900111.5R27 L28 Y29 M33 L34 E35R27-E31 WeakPolarHBondContact CG-OE1 3.48Å; R27-E31 IonicContact CZ-OE1 3.82Å; R27-E31 IonicContact NE-OE1 3.73Å; R27-E31 PolarHBondContact NE-OE1 3.49Å; R27-E31 IonicContact NH2-OE1 3.8Å; R27-E31 WeakPolarHBondContact O-CG 2.91Å; R27-E31 PolarHBondContact O-N 3.45Å; L28-E31 PolarHBondContact O-N 3.48Å; Y29-E31 VanDerWaalsContact C-N 3.31Å; Y29-E31 PolarHBondContact O-N 3.37Å; E31-M33 PolarHBondContact O-N 3.22Å; E31-L34 PolarHBondContact O-N 3.3Å; E31-E35 PolarHBondContact O-N 3.1Å
32V79.1Confident75.9Confident61 Ų6185.9 Ų85.937%0.3744%0.435SS..Hα-helixtrans-62.2-43.4177.71720000111.2L28 Y29 L34 E35 T36L28-V32 HydrophobicContact CD1-CG2 4.23Å; L28-V32 HydrophobicContact CG-CG2 4.38Å; L28-V32 WeakPolarHBondContact O-CB 3.44Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.26Å; L28-V32 PolarHBondContact O-N 2.89Å; Y29-V32 PolarHBondContact O-N 3.46Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.91Å; V32-E35 PolarHBondContact O-N 3.34Å; V32-T36 PolarHBondContact O-N 3.23Å; V32-T36 PolarHBondContact O-OG1 2.85Å
33M80.5Confident75.7Confident35 Ų3588.2 Ų88.217%0.17245%0.446CS..Hα-helixtrans-65.4-36.1179.6-70-50-55.300112.7H10 Y29 E31 Y37H10-M33 WeakPolarHBondContact CD2-CE 3.24Å; Y29-M33 HydrophobicContact CD1-CG 4.12Å; Y29-M33 HydrophobicContact CD2-CG 4.04Å; Y29-M33 HydrophobicContact CE1-CG 3.77Å; Y29-M33 HydrophobicContact CE2-CG 3.71Å; Y29-M33 HydrophobicContact CE2-SD 3.9Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CB 3.43Å; Y29-M33 VanDerWaalsContact O-CG 3.24Å; Y29-M33 WeakPolarHBondContact O-CG 3.39Å; Y29-M33 PolarHBondContact O-N 3.28Å; E31-M33 PolarHBondContact O-N 3.22Å; M33-Y37 WeakPolarHBondContact O-CB 3.44Å; M33-Y37 PolarHBondContact O-N 3.49Å; M33-Y37 VanDerWaalsContact O-N 3.08Å
34L74.3Confident75.2Confident111 Ų11186 Ų8658%0.58144%0.44SS*.Hα-helixtrans-66.8-42.2174-76.2168.9000111.7E30 E31 V32 Y37 Q38E30-L34 VanDerWaalsContact O-CG 3.3Å; E30-L34 WeakPolarHBondContact O-CG 3.26Å; E30-L34 PolarHBondContact O-N 2.86Å; E30-L34 VanDerWaalsContact O-N 3.12Å; E31-L34 PolarHBondContact O-N 3.3Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.91Å; L34-Y37 PolarHBondContact O-N 3.26Å; L34-Q38 WeakPolarHBondContact O-CG 3.37Å; L34-Q38 PolarHBondContact O-N 2.81Å
35E74.3Confident74.5Confident111 Ų11185.7 Ų85.752%0.51943%0.427SS..Hα-helixtrans-64-45.8176.7-175.7176.1-177.800111.4E31 V32 Y37 Q38 N39E31-E35 PolarHBondContact O-N 3.1Å; V32-E35 PolarHBondContact O-N 3.34Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.39Å; E35-Q38 PolarHBondContact O-N 3.25Å; E35-N39 WeakPolarHBondContact O-CB 3.4Å; E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 3.36Å; E35-N39 PolarHBondContact O-ND2 2.99Å
36T75.2Confident73.3Confident29 Ų2988 Ų8818%0.17844%0.442CS..Hα-helixtrans-57.3-44.4174.5-60.10000111.4V9 V32 Q38 N39 L40V9-T36 HydrophobicContact CB-CG2 3.77Å; V9-T36 HydrophobicContact CG2-CG2 3.73Å; V32-T36 PolarHBondContact O-N 3.23Å; V32-T36 PolarHBondContact O-OG1 2.85Å; T36-Q38 PolarHBondContact O-N 3.38Å; T36-N39 PolarHBondContact O-N 3.13Å; T36-L40 HydrophobicContact CG2-CD1 4.24Å; T36-L40 WeakPolarHBondContact O-CB 3.26Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.25Å; T36-L40 PolarHBondContact O-N 3.45Å
37Y71Confident72Confident120 Ų12089.4 Ų89.447%0.47145%0.446SS..Hα-helixtrans-62.2-42.6177.3-176.8-89.1000112.3M33 L34 E35 T41 W47M33-Y37 WeakPolarHBondContact O-CB 3.44Å; M33-Y37 PolarHBondContact O-N 3.49Å; M33-Y37 VanDerWaalsContact O-N 3.08Å; L34-Y37 PolarHBondContact O-N 3.26Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.39Å; Y37-T41 WeakPolarHBondContact O-CB 3.42Å; Y37-T41 PolarHBondContact O-N 3.08Å; Y37-T41 PolarHBondContact O-OG1 3.01Å; Y37-W47 AromaticContact CD2-CE2 4Å; Y37-W47 AromaticContact CD2-CH2 3.85Å; Y37-W47 HydrophobicContact CD2-CH2 3.85Å; Y37-W47 AromaticContact CD2-CZ2 3.23Å; Y37-W47 HydrophobicContact CD2-CZ2 3.23Å; Y37-W47 HydrophobicContact CE2-CD2 4.44Å; Y37-W47 AromaticContact CE2-CE2 3.41Å; Y37-W47 VanDerWaalsContact CE2-CE2 3.41Å; Y37-W47 AromaticContact CE2-CH2 3.94Å; Y37-W47 HydrophobicContact CE2-CH2 3.94Å; Y37-W47 AromaticContact CE2-CZ2 3.14Å; Y37-W47 HydrophobicContact CE2-CZ2 3.14Å; Y37-W47 AromaticContact CE2-NE1 3.58Å; Y37-W47 HydrophobicContact CG-CZ2 4.31Å; Y37-W47 AromaticContact CZ-NE1 3.79Å
38Q69.8Low70.4Confident116 Ų11688.5 Ų88.554%0.54245%0.449SS..Hα-helixtrans-62.4-49.1175.9-74.3172.1-11.400111.2L34 E35 T36 L40 T41 D42L34-Q38 WeakPolarHBondContact O-CG 3.37Å; L34-Q38 PolarHBondContact O-N 2.81Å; E35-Q38 PolarHBondContact O-N 3.25Å; T36-Q38 PolarHBondContact O-N 3.38Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 2.92Å; Q38-T41 WeakPolarHBondContact O-CB 3.35Å; Q38-T41 PolarHBondContact O-N 3.09Å; Q38-D42 PolarHBondContact O-N 3.2Å
39N74.6Confident68.6Low83 Ų8390.1 Ų90.144%0.44446%0.458SS..Hα-helixtrans-58.7-42.5178.8-70.1-26.9000112.3E35 T36 T41 D42 I43E35-N39 WeakPolarHBondContact O-CB 3.4Å; E35-N39 VanDerWaalsContact O-CG 3.27Å; E35-N39 PolarHBondContact O-N 3.36Å; E35-N39 PolarHBondContact O-ND2 2.99Å; T36-N39 PolarHBondContact O-N 3.13Å; N39-T41 VanDerWaalsContact C-N 3.34Å; N39-D42 PolarHBondContact O-N 2.79Å; N39-I43 WeakPolarHBondContact O-CG1 3.19Å; N39-I43 PolarHBondContact O-N 2.99Å
40L71.3Confident66.6Low10 Ų1095 Ų955%0.05248%0.483CS..Hα-helixtrans-63.9-40.6175.2-72.1175.7000111.7V9 T36 Q38 I43 Y45 W47V9-L40 HydrophobicContact CG2-CD1 3.98Å; V9-L40 HydrophobicContact CG2-CD2 4.47Å; T36-L40 HydrophobicContact CG2-CD1 4.24Å; T36-L40 WeakPolarHBondContact O-CB 3.26Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.25Å; T36-L40 PolarHBondContact O-N 3.45Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 2.92Å; L40-I43 HydrophobicContact CD2-CD1 4.12Å; L40-I43 WeakPolarHBondContact O-CG1 3.43Å; L40-Y45 WeakPolarHBondContact O-CB 3.4Å; L40-Y45 PolarHBondContact O-N 3.15Å; L40-W47 HydrophobicContact CD1-CH2 4.33Å; L40-W47 HydrophobicContact CD1-CZ2 4.35Å
41T70.9Confident64.7Low66 Ų6694.2 Ų94.241%0.40548%0.478SS..Hα-helixtrans-65.8-39.8177.9-52.60000111.3Y37 Q38 N39 I43 G44Y37-T41 WeakPolarHBondContact O-CB 3.42Å; Y37-T41 PolarHBondContact O-N 3.08Å; Y37-T41 PolarHBondContact O-OG1 3.01Å; Q38-T41 WeakPolarHBondContact O-CB 3.35Å; Q38-T41 PolarHBondContact O-N 3.09Å; N39-T41 VanDerWaalsContact C-N 3.34Å; T41-I43 PolarHBondContact O-N 3.23Å; T41-G44 PolarHBondContact O-N 2.9Å; T41-G44 VanDerWaalsContact O-N 3.09Å
42D71.2Confident63.3Low134 Ų13494.5 Ų94.572%0.71748%0.482SS*.Hα-helixtrans-68.1-33.2-178.8-74.2-15.2000113.3Q38 N39 G44Q38-D42 PolarHBondContact O-N 3.2Å; N39-D42 PolarHBondContact O-N 2.79Å; D42-G44 PolarHBondContact O-N 3.47Å
43I75.5Confident61.2Low126 Ų12699.3 Ų99.365%0.64650%0.5SS*.THydrogen-bonded Turntrans-77.27.7173.463.8175.7000113N39 L40 T41 Y45N39-I43 WeakPolarHBondContact O-CG1 3.19Å; N39-I43 PolarHBondContact O-N 2.99Å; L40-I43 HydrophobicContact CD2-CD1 4.12Å; L40-I43 WeakPolarHBondContact O-CG1 3.43Å; T41-I43 PolarHBondContact O-N 3.23Å; I43-Y45 VanDerWaalsContact C-N 3.27Å; I43-Y45 PolarHBondContact O-N 3.2Å
44G62.1Low59.5Low60 Ų60103.1 Ų103.162%0.61952%0.518SS*.THydrogen-bonded Turntrans70.524.6179.800000112.9T41 D42 N46T41-G44 PolarHBondContact O-N 2.9Å; T41-G44 VanDerWaalsContact O-N 3.09Å; D42-G44 PolarHBondContact O-N 3.47Å; G44-N46 VanDerWaalsContact C-N 3.31Å; G44-N46 PolarHBondContact O-N 3.4Å
45Y63.1Low58Low75 Ų75104 Ų10429%0.29452%0.519SS..  trans-63.199.2170-163.6-91.4000107.8V4 L40 I43 W47V4-Y45 WeakPolarHBondContact O-CE2 3.5Å; L40-Y45 WeakPolarHBondContact O-CB 3.4Å; L40-Y45 PolarHBondContact O-N 3.15Å; I43-Y45 VanDerWaalsContact C-N 3.27Å; I43-Y45 PolarHBondContact O-N 3.2Å; Y45-W47 PolarHBondContact O-N 2.88Å
46N54.4Low56.2Low136 Ų136102.4 Ų102.473%0.72752%0.519SS*.  trans-74.7113.7173.4-151.7-1000105.3G44 Q48G44-N46 VanDerWaalsContact C-N 3.31Å; G44-N46 PolarHBondContact O-N 3.4Å; N46-Q48 PolarHBondContact O-N 2.95Å
47W56.9Low54.7Low79 Ų79107.1 Ų107.130%0.29954%0.539SS..  trans-59.688.8169.9-61.386000106.1Y6 Y37 L40 Y45 D49Y6-W47 AromaticContact CD2-CH2 3.48Å; Y6-W47 HydrophobicContact CD2-CH2 3.48Å; Y6-W47 VanDerWaalsContact CD2-CH2 3.48Å; Y6-W47 AromaticContact CD2-CZ3 3.53Å; Y6-W47 HydrophobicContact CD2-CZ3 3.53Å; Y6-W47 AromaticContact CE2-CH2 3.72Å; Y6-W47 HydrophobicContact CE2-CH2 3.72Å; Y6-W47 AromaticContact CE2-CZ3 3.87Å; Y6-W47 HydrophobicContact CE2-CZ3 3.87Å; Y6-W47 HydrophobicContact CG-CZ3 4.22Å; Y37-W47 AromaticContact CD2-CE2 4Å; Y37-W47 AromaticContact CD2-CH2 3.85Å; Y37-W47 HydrophobicContact CD2-CH2 3.85Å; Y37-W47 AromaticContact CD2-CZ2 3.23Å; Y37-W47 HydrophobicContact CD2-CZ2 3.23Å; Y37-W47 HydrophobicContact CE2-CD2 4.44Å; Y37-W47 AromaticContact CE2-CE2 3.41Å; Y37-W47 VanDerWaalsContact CE2-CE2 3.41Å; Y37-W47 AromaticContact CE2-CH2 3.94Å; Y37-W47 HydrophobicContact CE2-CH2 3.94Å; Y37-W47 AromaticContact CE2-CZ2 3.14Å; Y37-W47 HydrophobicContact CE2-CZ2 3.14Å; Y37-W47 AromaticContact CE2-NE1 3.58Å; Y37-W47 HydrophobicContact CG-CZ2 4.31Å; Y37-W47 AromaticContact CZ-NE1 3.79Å; L40-W47 HydrophobicContact CD1-CH2 4.33Å; L40-W47 HydrophobicContact CD1-CZ2 4.35Å; Y45-W47 PolarHBondContact O-N 2.88Å; W47-D49 PolarHBondContact O-N 3.4Å
48Q42.5Very low53.6Low143 Ų143104.6 Ų104.667%0.66854%0.538SS*.  trans-51.7134.1168.2-74.3178.5-11.500104.9N46 H50N46-Q48 PolarHBondContact O-N 2.95Å; Q48-H50 PolarHBondContact O-N 3.22Å
49D40.4Very low52.5Low140 Ų140100.6 Ų100.675%0.74952%0.524SS*.  trans-61.650.9177.8-73.3-54.6000111.5W47 H51W47-D49 PolarHBondContact O-N 3.4Å; D49-H51 PolarHBondContact O-N 3.23Å
50H40.7Very low51.7Low147 Ų147106.6 Ų106.668%0.68154%0.54SS*.SBendtrans-61.687156.5-80.4-66.5000106Q48 I52Q48-H50 PolarHBondContact O-N 3.22Å; H50-I52 PolarHBondContact O-N 3.27Å
51H38.6Very low50.8Low102 Ų102115.7 Ų115.747%0.47257%0.573SS.*SBendtrans58.539.6162.1-75.3-70.5000115D49 E53 E54 H55D49-H51 PolarHBondContact O-N 3.23Å; H51-E53 PolarHBondContact O-N 3.17Å; H51-E54 HydrophobicContact CB-CB 4.05Å; H51-E54 IonicContact CE1-OE1 3.51Å; H51-E54 IonicContact CE1-OE2 2.95Å; H51-E54 PolarHBondContact CE1-OE2 3.34Å; H51-E54 IonicContact CG-OE2 2.98Å; H51-E54 WeakPolarHBondContact ND1-CB 3.5Å; H51-E54 VanDerWaalsContact ND1-CG 3.3Å; H51-E54 WeakPolarHBondContact ND1-CG 3.49Å; H51-E54 IonicContact ND1-OE1 3.82Å; H51-E54 IonicContact ND1-OE2 2.94Å; H51-E54 PolarHBondContact ND1-OE2 2.98Å; H51-E54 IonicContact NE2-OE2 3.81Å; H51-E54 PolarHBondContact O-N 3.44Å; H51-H55 VanDerWaalsContact O-CA 3.31Å; H51-H55 WeakPolarHBondContact O-CA 3.37Å; H51-H55 WeakPolarHBondContact O-CB 3.44Å; H51-H55 PolarHBondContact O-N 2.86Å
52I43.5Very low50Low100 Ų100116.1 Ų116.151%0.51357%0.571SS.*Hα-helixtrans-61.7-35165.8-65.6174.4000109.8H50 C56H50-I52 PolarHBondContact O-N 3.27Å; I52-C56 WeakPolarHBondContact O-CA 3.35Å; I52-C56 WeakPolarHBondContact O-CB 3.46Å; I52-C56 PolarHBondContact O-N 3.22Å
53E35.3Very low49.4Very low163 Ų163113.7 Ų113.776%0.76256%0.555SS**Hα-helixtrans-70.6-46175.6-76.2-171.1154.200113.4H51 C56 Q57H51-E53 PolarHBondContact O-N 3.17Å; E53-C56 PolarHBondContact O-N 2.91Å; E53-Q57 WeakPolarHBondContact O-CB 3.43Å; E53-Q57 VanDerWaalsContact O-CG 3.3Å; E53-Q57 WeakPolarHBondContact O-CG 3.36Å; E53-Q57 PolarHBondContact O-N 3.47Å
54E43.3Very low48.7Very low115 Ų115113.9 Ų113.954%0.53755%0.548SS..Hα-helixtrans-71.1-31.4174.6-74-169.6178.400112.4H51 Q57 S58H51-E54 HydrophobicContact CB-CB 4.05Å; H51-E54 IonicContact CE1-OE1 3.51Å; H51-E54 IonicContact CE1-OE2 2.95Å; H51-E54 PolarHBondContact CE1-OE2 3.34Å; H51-E54 IonicContact CG-OE2 2.98Å; H51-E54 WeakPolarHBondContact ND1-CB 3.5Å; H51-E54 VanDerWaalsContact ND1-CG 3.3Å; H51-E54 WeakPolarHBondContact ND1-CG 3.49Å; H51-E54 IonicContact ND1-OE1 3.82Å; H51-E54 IonicContact ND1-OE2 2.94Å; H51-E54 PolarHBondContact ND1-OE2 2.98Å; H51-E54 IonicContact NE2-OE2 3.81Å; H51-E54 PolarHBondContact O-N 3.44Å; E54-Q57 PolarHBondContact O-N 3.41Å; E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3.32Å; E54-S58 PolarHBondContact O-OG 3.33Å
55H42.4Very low48.6Very low130 Ų130115.5 Ų115.560%0.60254%0.539SS*.Hα-helixtrans-75.7-26.5173.8-159.3-12000111.3H51 S58 S59H51-H55 VanDerWaalsContact O-CA 3.31Å; H51-H55 WeakPolarHBondContact O-CA 3.37Å; H51-H55 WeakPolarHBondContact O-CB 3.44Å; H51-H55 PolarHBondContact O-N 2.86Å; H55-S58 VanDerWaalsContact CA-OG 3.28Å; H55-S58 WeakPolarHBondContact CA-OG 3.48Å; H55-S58 CarbonylContact O-C 3.51Å; H55-S59 WeakPolarHBondContact O-CA 3.25Å; H55-S59 WeakPolarHBondContact O-CB 3.45Å; H55-S59 PolarHBondContact O-N 3.38Å
56C38.2Very low48.3Very low76 Ų76115.9 Ų115.951%0.51454%0.543SS..Hα-helixtrans-73.8-42.1170.7-158.30000110.3I52 E53 S59 H62I52-C56 WeakPolarHBondContact O-CA 3.35Å; I52-C56 WeakPolarHBondContact O-CB 3.46Å; I52-C56 PolarHBondContact O-N 3.22Å; E53-C56 PolarHBondContact O-N 2.91Å; C56-S59 WeakPolarHBondContact O-CB 3.31Å; C56-S59 PolarHBondContact O-N 2.86Å; C56-S59 VanDerWaalsContact O-N 3.16Å; C56-H62 WeakPolarHBondContact O-CB 3.45Å
57Q43.4Very low48.6Very low129 Ų129112.9 Ų112.960%0.60352%0.522SS*.Hα-helixtrans-68.6-37.9175.1-71.2179.314.300112.9E53 E54 S59 H62E53-Q57 WeakPolarHBondContact O-CB 3.43Å; E53-Q57 VanDerWaalsContact O-CG 3.3Å; E53-Q57 WeakPolarHBondContact O-CG 3.36Å; E53-Q57 PolarHBondContact O-N 3.47Å; E54-Q57 PolarHBondContact O-N 3.41Å; Q57-S59 VanDerWaalsContact C-N 3.28Å; Q57-H62 PolarHBondContact O-ND1 3.36Å; Q57-H62 VanDerWaalsContact O-ND1 3.13Å
58S47Very low48.7Very low66 Ų66111.9 Ų111.946%0.46253%0.527SS..THydrogen-bonded Turntrans-86.24.6170.1660000113.2E54 H55 R60E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 3.32Å; E54-S58 PolarHBondContact O-OG 3.33Å; H55-S58 VanDerWaalsContact CA-OG 3.28Å; H55-S58 WeakPolarHBondContact CA-OG 3.48Å; H55-S58 CarbonylContact O-C 3.51Å; S58-R60 PolarHBondContact O-N 3.07Å
59S46.8Very low49.6Very low33 Ų33111.1 Ų111.123%0.23152%0.523CS..SBendtrans-63.2138.4-178.4-173.70000108.8H55 C56 Q57 R61 H62 E63H55-S59 WeakPolarHBondContact O-CA 3.25Å; H55-S59 WeakPolarHBondContact O-CB 3.45Å; H55-S59 PolarHBondContact O-N 3.38Å; C56-S59 WeakPolarHBondContact O-CB 3.31Å; C56-S59 PolarHBondContact O-N 2.86Å; C56-S59 VanDerWaalsContact O-N 3.16Å; Q57-S59 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact O-N 3.16Å; S59-R61 PolarHBondContact OG-N 2.79Å; S59-H62 WeakPolarHBondContact O-CA 3.41Å; S59-H62 PolarHBondContact O-N 3.39Å; S59-E63 PolarHBondContact O-N 2.9Å
60R57.2Low51.1Low208 Ų208109.6 Ų109.679%0.78551%0.514SS*.THydrogen-bonded Turntrans-50-17.6166.1-67.6-178.4179.5177.6-1.2113.1S58 R64S58-R60 PolarHBondContact O-N 3.07Å; R60-R64 WeakPolarHBondContact O-CB 3.48Å; R60-R64 PolarHBondContact O-NE 3.26Å
61R53.7Low52.3Low201 Ų201104.5 Ų104.576%0.75850%0.501SS*.THydrogen-bonded Turntrans-81.9-38.1174.1-155177.8-164.5170.83.5112.7S59 H65S59-R61 PolarHBondContact O-N 3.16Å; S59-R61 PolarHBondContact OG-N 2.79Å; R61-H65 PolarHBondContact O-N 3.42Å; R61-H65 VanDerWaalsContact O-N 3.11Å
62H54.4Low54Low75 Ų75104.2 Ų104.235%0.34750%0.499SS..Hα-helixtrans-78-46.3178.7-160.5-109.4000111.1C56 Q57 S59 R64 H65 E66C56-H62 WeakPolarHBondContact O-CB 3.45Å; Q57-H62 PolarHBondContact O-ND1 3.36Å; Q57-H62 VanDerWaalsContact O-ND1 3.13Å; S59-H62 WeakPolarHBondContact O-CA 3.41Å; S59-H62 PolarHBondContact O-N 3.39Å; H62-R64 PolarHBondContact O-N 2.91Å; H62-R64 VanDerWaalsContact O-N 3.16Å; H62-H65 WeakPolarHBondContact O-CA 3.38Å; H62-H65 WeakPolarHBondContact O-CB 3.37Å; H62-H65 PolarHBondContact O-N 3.18Å; H62-E66 PolarHBondContact O-N 2.79Å
63E58.1Low55.6Low84 Ų84104.7 Ų104.739%0.39350%0.498SS..Hα-helixtrans-53.5-39.2168.8-70.8-168.816700112S59 R67S59-E63 PolarHBondContact O-N 2.9Å; E63-R67 WeakPolarHBondContact O-CB 3.41Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 IonicContact OE2-CZ 2.86Å; E63-R67 IonicContact OE2-NH2 3.77Å; E63-R67 PolarHBondContact OE2-NH2 3.27Å
64R60.5Low57.6Low130 Ų130100.4 Ų100.449%0.49148%0.484SS..Hα-helixtrans-68.7-34177.7-179.9-166.3-52-175.60.4112.6R60 H62 S68R60-R64 WeakPolarHBondContact O-CB 3.48Å; R60-R64 PolarHBondContact O-NE 3.26Å; H62-R64 PolarHBondContact O-N 2.91Å; H62-R64 VanDerWaalsContact O-N 3.16Å; R64-S68 PolarHBondContact O-N 2.76Å
65H61.2Low59.3Low94 Ų9498.5 Ų98.544%0.43547%0.473SS..Hα-helixtrans-70.4-46.6175.3178.4-98.7000110.3R61 H62 S68 H69R61-H65 PolarHBondContact O-N 3.42Å; R61-H65 VanDerWaalsContact O-N 3.11Å; H62-H65 WeakPolarHBondContact O-CA 3.38Å; H62-H65 WeakPolarHBondContact O-CB 3.37Å; H62-H65 PolarHBondContact O-N 3.18Å; H65-S68 WeakPolarHBondContact O-CB 3.48Å; H65-S68 PolarHBondContact O-N 3.2Å; H65-S68 VanDerWaalsContact O-N 3.07Å; H65-S68 PolarHBondContact O-OG 3.44Å; H65-H69 AromaticContact CD2-NE2 3.81Å; H65-H69 AromaticContact CE1-CD2 3.42Å; H65-H69 PolarHBondContact CE1-CD2 2.89Å; H65-H69 VanDerWaalsContact CE1-CD2 3.42Å; H65-H69 AromaticContact CE1-NE2 3Å; H65-H69 PolarHBondContact CE1-NE2 3.39Å; H65-H69 AromaticContact ND1-CD2 3.66Å; H65-H69 AromaticContact ND1-NE2 3.69Å; H65-H69 AromaticContact NE2-CD2 3.78Å; H65-H69 AromaticContact NE2-NE2 3.03Å; H65-H69 PolarHBondContact NE2-NE2 3.19Å; H65-H69 PolarHBondContact O-CD2 3.15Å; H65-H69 VanDerWaalsContact O-CD2 3.32Å; H65-H69 PolarHBondContact O-N 3.21Å
66E56.8Low60.9Low82 Ų8297.4 Ų97.438%0.38347%0.468SS..Hα-helixtrans-58.4-49.3175.3-69.9-54.6130.800112.3H62 S68 H69 I70H62-E66 PolarHBondContact O-N 2.79Å; E66-S68 PolarHBondContact O-N 3.42Å; E66-S68 VanDerWaalsContact O-N 3.09Å; E66-H69 PolarHBondContact O-N 2.99Å; E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.03Å; E66-I70 VanDerWaalsContact O-N 3.1Å
67R60.8Low62.6Low74 Ų7495.3 Ų95.328%0.27945%0.449SS..Hα-helixtrans-56.2-30.3175-73.4176.9-166.6156.918113.1E63 G71 E72E63-R67 WeakPolarHBondContact O-CB 3.41Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.32Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 IonicContact OE2-CZ 2.86Å; E63-R67 IonicContact OE2-NH2 3.77Å; E63-R67 PolarHBondContact OE2-NH2 3.27Å; R67-G71 PolarHBondContact O-N 3.16Å; R67-G71 VanDerWaalsContact O-N 3.11Å; R67-E72 PolarHBondContact O-N 3Å
68S57.3Low64Low57 Ų5796 Ų9640%0.39946%0.457SS..Hα-helixtrans-75-28.1178.579.30000113.8R64 H65 E66R64-S68 PolarHBondContact O-N 2.76Å; H65-S68 WeakPolarHBondContact O-CB 3.48Å; H65-S68 PolarHBondContact O-N 3.2Å; H65-S68 VanDerWaalsContact O-N 3.07Å; H65-S68 PolarHBondContact O-OG 3.44Å; E66-S68 PolarHBondContact O-N 3.42Å; E66-S68 VanDerWaalsContact O-N 3.09Å
69H62.1Low65.2Low128 Ų128100.4 Ų100.459%0.59347%0.47SS*.Hα-helixtrans-79.9-37.6174.9-74-64.6000112.1H65 E66 G71H65-H69 AromaticContact CD2-NE2 3.81Å; H65-H69 AromaticContact CE1-CD2 3.42Å; H65-H69 PolarHBondContact CE1-CD2 2.89Å; H65-H69 VanDerWaalsContact CE1-CD2 3.42Å; H65-H69 AromaticContact CE1-NE2 3Å; H65-H69 PolarHBondContact CE1-NE2 3.39Å; H65-H69 AromaticContact ND1-CD2 3.66Å; H65-H69 AromaticContact ND1-NE2 3.69Å; H65-H69 AromaticContact NE2-CD2 3.78Å; H65-H69 AromaticContact NE2-NE2 3.03Å; H65-H69 PolarHBondContact NE2-NE2 3.19Å; H65-H69 PolarHBondContact O-CD2 3.15Å; H65-H69 VanDerWaalsContact O-CD2 3.32Å; H65-H69 PolarHBondContact O-N 3.21Å; E66-H69 PolarHBondContact O-N 2.99Å; H69-G71 VanDerWaalsContact C-N 3.31Å
70I71.1Confident66.7Low108 Ų108101 Ų10155%0.55447%0.474SS*.Hα-helixtrans-78.2-19.9-179.5-54.4168.6000111.3E66 E72E66-I70 WeakPolarHBondContact O-CG1 3.49Å; E66-I70 PolarHBondContact O-N 3.03Å; E66-I70 VanDerWaalsContact O-N 3.1Å; I70-E72 VanDerWaalsContact C-N 3.32Å; I70-E72 HydrophobicContact CB-CG 4.14Å; I70-E72 HydrophobicContact CG2-CG 3.73Å
71G66.6Low67.7Low39 Ų3993.4 Ų93.440%0.40246%0.461SS..THydrogen-bonded Turntrans76.320.1-178.700000113.4R67 H69R67-G71 PolarHBondContact O-N 3.16Å; R67-G71 VanDerWaalsContact O-N 3.11Å; H69-G71 VanDerWaalsContact C-N 3.31Å
72E73.8Confident69Low96 Ų9689.3 Ų89.345%0.44945%0.448SS..  trans-67134.6179.2-72.7-174.7176.300111.9R67 I70 P74R67-E72 PolarHBondContact O-N 3Å; I70-E72 VanDerWaalsContact C-N 3.32Å; I70-E72 HydrophobicContact CB-CG 4.14Å; I70-E72 HydrophobicContact CG2-CG 3.73Å; E72-P74 VanDerWaalsContact C-CD 3.44Å; E72-P74 WeakPolarHBondContact O-CD 3.43Å
73K78.5Confident70.3Confident111 Ų11187.5 Ų87.548%0.48345%0.447SS..  trans-124.168.7-178.5-66.5-179.7-175.3170.40110.8Y75 A83 F84 E85K73-Y75 PolarHBondContact O-N 3.38Å; K73-A83 HydrophobicContact CB-CB 3.58Å; K73-A83 HydrophobicContact CD-CB 4.42Å; K73-A83 WeakPolarHBondContact O-CB 3.36Å; K73-F84 CarbonylContact C-O 3.28Å; K73-F84 WeakPolarHBondContact CA-O 3.48Å; K73-E85 HydrophobicContact CD-CG 4.47Å; K73-E85 HydrophobicContact CG-CG 3.72Å
74P77.4Confident71.3Confident73 Ų7385.5 Ų85.547%0.47444%0.436SS..  trans-66.8-20.3-173.125.1-32.9000113.4E72 E76E72-P74 VanDerWaalsContact C-CD 3.44Å; E72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-E76 PolarHBondContact O-N 3.36Å
75Y77.4Confident72.1Confident75 Ų7582.9 Ų82.929%0.29443%0.43SS..EExtended strand (participates in β ladder)trans-92.286-175.7-55.3-74.5000111.2K73 A83 F84 R86 Y87K73-Y75 PolarHBondContact O-N 3.38Å; Y75-A83 CarbonylContact O-C 3.57Å; Y75-A83 WeakPolarHBondContact O-CA 3.46Å; Y75-F84 WeakPolarHBondContact CB-O 3.24Å; Y75-F84 WeakPolarHBondContact CD2-O 3.37Å; Y75-F84 PolarHBondContact N-O 2.86Å; Y75-F84 VanDerWaalsContact N-O 3.15Å; Y75-F84 PolarHBondContact O-N 3.41Å; Y75-R86 VanDerWaalsContact CD2-C 3.43Å; Y75-Y87 AromaticContact CD1-CD2 3.79Å; Y75-Y87 HydrophobicContact CD1-CD2 3.79Å; Y75-Y87 HydrophobicContact CD1-CG 4.35Å; Y75-Y87 VanDerWaalsContact CD2-N 3.26Å; Y75-Y87 HydrophobicContact CE1-CD2 4.06Å; Y75-Y87 HydrophobicContact CE1-CG 4.33Å
76E76.2Confident72.8Confident106 Ų10683.4 Ų83.450%0.49543%0.428SS..EExtended strand (participates in β ladder)trans-94.6144.3177.7-170.6171.8176.200112.9P74 A83P74-E76 PolarHBondContact O-N 3.36Å; E76-A83 HydrophobicContact CB-CB 4.28Å; E76-A83 HydrophobicContact CG-CB 4.4Å
77R75.4Confident73.8Confident32 Ų3283.7 Ų83.712%0.12143%0.426CS..EExtended strand (participates in β ladder)trans-103.5107.4163.2-172.9179176175-1.8110.5Q79 C80 G81 K82 L90 H97R77-Q79 HydrophobicContact CG-CB 4.33Å; R77-Q79 PolarHBondContact O-N 2.97Å; R77-Q79 VanDerWaalsContact O-N 3.09Å; R77-C80 PolarHBondContact O-N 3.32Å; R77-G81 PolarHBondContact O-N 3.2Å; R77-K82 PolarHBondContact N-O 2.97Å; R77-L90 HydrophobicContact CB-CD1 3.75Å; R77-H97 PolarHBondContact NH1-CD2 3.47Å
78N72.7Confident74.3Confident144 Ų14484.2 Ų84.277%0.7743%0.434SS*.THydrogen-bonded Turntrans-52.6-36.4-179.7-56.6-7.2000113.7C80N78-C80 VanDerWaalsContact C-N 3.26Å; N78-C80 PolarHBondContact O-N 3.37Å
79Q71.5Confident75.3Confident158 Ų15885.2 Ų85.274%0.73843%0.433SS*.THydrogen-bonded Turntrans-67.8-17.5-178.8-68173.8-700114.8R77R77-Q79 HydrophobicContact CG-CB 4.33Å; R77-Q79 PolarHBondContact O-N 2.97Å; R77-Q79 VanDerWaalsContact O-N 3.09Å
80C78.8Confident76.1Confident45 Ų4579.5 Ų79.530%0.30441%0.406SS..THydrogen-bonded Turntrans-137.33.3179.866.90000114.8R77 N78 K82 H93R77-C80 PolarHBondContact O-N 3.32Å; N78-C80 VanDerWaalsContact C-N 3.26Å; N78-C80 PolarHBondContact O-N 3.37Å; C80-K82 PolarHBondContact O-N 2.86Å; C80-H93 PolarHBondContact SG-NE2 3.47Å
81G78.1Confident76.4Confident50 Ų5076.7 Ų76.752%0.51539%0.391SS..THydrogen-bonded Turntrans62.620.4178.400000114.6R77R77-G81 PolarHBondContact O-N 3.2Å
82K80.3Confident76.8Confident115 Ų11577.4 Ų77.450%0.539%0.385SS..EExtended strand (participates in β ladder)trans-96.5120.3179.5-72.7-175176.8179.70110.5R77 C80 F84R77-K82 PolarHBondContact N-O 2.97Å; C80-K82 PolarHBondContact O-N 2.86Å; K82-F84 HydrophobicContact CB-CE2 3.78Å; K82-F84 HydrophobicContact CB-CZ 3.96Å; K82-F84 WeakPolarHBondContact O-CE2 3.5Å
83A82.6Confident77Confident37 Ų3773.8 Ų73.831%0.30637%0.368SS..EExtended strand (participates in β ladder)trans-100.2142.2176.200000111.4K73 Y75 E76K73-A83 HydrophobicContact CB-CB 3.58Å; K73-A83 HydrophobicContact CD-CB 4.42Å; K73-A83 WeakPolarHBondContact O-CB 3.36Å; Y75-A83 CarbonylContact O-C 3.57Å; Y75-A83 WeakPolarHBondContact O-CA 3.46Å; E76-A83 HydrophobicContact CB-CB 4.28Å; E76-A83 HydrophobicContact CG-CB 4.4Å
84F78.3Confident77Confident41 Ų4172 Ų7218%0.1836%0.36CS..EExtended strand (participates in β ladder)trans-128.4143.6-179-60.1-88.9000110.5K73 Y75 K82 R86 H89 L90 H93K73-F84 CarbonylContact C-O 3.28Å; K73-F84 WeakPolarHBondContact CA-O 3.48Å; Y75-F84 WeakPolarHBondContact CB-O 3.24Å; Y75-F84 WeakPolarHBondContact CD2-O 3.37Å; Y75-F84 PolarHBondContact N-O 2.86Å; Y75-F84 VanDerWaalsContact N-O 3.15Å; Y75-F84 PolarHBondContact O-N 3.41Å; K82-F84 HydrophobicContact CB-CE2 3.78Å; K82-F84 HydrophobicContact CB-CZ 3.96Å; K82-F84 WeakPolarHBondContact O-CE2 3.5Å; F84-R86 PolarHBondContact O-N 2.9Å; F84-H89 HydrophobicContact CB-CB 4.1Å; F84-H89 HydrophobicContact CD1-CB 3.78Å; F84-H89 HydrophobicContact CG-CB 4.19Å; F84-L90 HydrophobicContact CB-CB 4.24Å; F84-L90 HydrophobicContact CD2-CB 3.76Å; F84-L90 HydrophobicContact CD2-CD1 3.89Å; F84-L90 HydrophobicContact CD2-CG 4.43Å; F84-L90 HydrophobicContact CE2-CD1 4.04Å; F84-L90 HydrophobicContact CG-CB 4.17Å; F84-H93 HydrophobicContact CE1-CB 3.9Å; F84-H93 HydrophobicContact CE2-CB 3.7Å; F84-H93 AromaticContact CE2-CD2 3.55Å; F84-H93 AromaticContact CE2-CG 3.67Å; F84-H93 HydrophobicContact CZ-CB 3.27Å; F84-H93 AromaticContact CZ-CD2 3.53Å; F84-H93 AromaticContact CZ-CG 3.23Å; F84-H93 AromaticContact CZ-ND1 3.89Å
85E76.7Confident77.1Confident75 Ų7571.3 Ų71.335%0.3535%0.348SS..SBendtrans-67.8-24.7174.9-60.9166.4-163.800112K73K73-E85 HydrophobicContact CD-CG 4.47Å; K73-E85 HydrophobicContact CG-CG 3.72Å
86R76.8Confident76.7Confident106 Ų10671.9 Ų71.940%0.436%0.36SS..SBendtrans-131.9136.6-174.5-55.2-175.7-177-175.6-2.7111.3Y75 F84 N88 H89 L90Y75-R86 VanDerWaalsContact CD2-C 3.43Å; F84-R86 PolarHBondContact O-N 2.9Å; R86-N88 VanDerWaalsContact C-N 3.31Å; R86-N88 WeakPolarHBondContact CB-OD1 3.35Å; R86-N88 PolarHBondContact O-N 3.37Å; R86-H89 HydrophobicContact CB-CB 4.46Å; R86-H89 WeakPolarHBondContact O-CB 3.48Å; R86-H89 PolarHBondContact O-N 3.07Å; R86-L90 PolarHBondContact O-N 3.13Å
87Y76.6Confident76.6Confident88 Ų8871 Ų7135%0.34536%0.356SS..Hα-helixtrans-56.5-43.1177.1-176.5-113.6000112.7Y75 H89 L90 Q91Y75-Y87 AromaticContact CD1-CD2 3.79Å; Y75-Y87 HydrophobicContact CD1-CD2 3.79Å; Y75-Y87 HydrophobicContact CD1-CG 4.35Å; Y75-Y87 VanDerWaalsContact CD2-N 3.26Å; Y75-Y87 HydrophobicContact CE1-CD2 4.06Å; Y75-Y87 HydrophobicContact CE1-CG 4.33Å; Y87-H89 PolarHBondContact O-N 3.31Å; Y87-L90 HydrophobicContact CD2-CD2 4.38Å; Y87-L90 CarbonylContact O-C 3.4Å; Y87-L90 WeakPolarHBondContact O-CA 3.34Å; Y87-L90 WeakPolarHBondContact O-CB 3.47Å; Y87-L90 PolarHBondContact O-N 2.93Å; Y87-Q91 HydrophobicContact CD1-CG 3.95Å; Y87-Q91 HydrophobicContact CE1-CG 3.7Å; Y87-Q91 HydrophobicContact CE2-CG 4.3Å; Y87-Q91 HydrophobicContact CG-CG 4.39Å; Y87-Q91 WeakPolarHBondContact O-CG 3.34Å; Y87-Q91 PolarHBondContact O-N 3.17Å; Y87-Q91 PolarHBondContact OH-NE2 2.99Å
88N71.4Confident76.7Confident84 Ų8473 Ų7345%0.44937%0.371SS..Hα-helixtrans-60.8-31.8177.869.6-20.9000112.9R86 Q91 I92R86-N88 VanDerWaalsContact C-N 3.31Å; R86-N88 WeakPolarHBondContact CB-OD1 3.35Å; R86-N88 PolarHBondContact O-N 3.37Å; N88-Q91 PolarHBondContact O-N 3.44Å; N88-I92 WeakPolarHBondContact O-CD1 3.43Å; N88-I92 VanDerWaalsContact O-CG1 3.23Å; N88-I92 WeakPolarHBondContact O-CG1 3.46Å; N88-I92 PolarHBondContact O-N 3.43Å
89H78.9Confident76.6Confident78 Ų7876.6 Ų76.636%0.36137%0.374SS..Hα-helixtrans-69.8-41.4173.7-64.6170.5000111.3F84 R86 Y87 Q91 I92 H93F84-H89 HydrophobicContact CB-CB 4.1Å; F84-H89 HydrophobicContact CD1-CB 3.78Å; F84-H89 HydrophobicContact CG-CB 4.19Å; R86-H89 HydrophobicContact CB-CB 4.46Å; R86-H89 WeakPolarHBondContact O-CB 3.48Å; R86-H89 PolarHBondContact O-N 3.07Å; Y87-H89 PolarHBondContact O-N 3.31Å; H89-Q91 VanDerWaalsContact C-N 3.35Å; H89-I92 PolarHBondContact O-N 3.5Å; H89-H93 WeakPolarHBondContact O-CB 3.41Å; H89-H93 PolarHBondContact O-N 2.93Å
90L79Confident76.7Confident8 Ų874.7 Ų74.74%0.04237%0.365CS..Hα-helixtrans-59-45.8171.1169.362000111R77 F84 R86 Y87 I92 H93 K94R77-L90 HydrophobicContact CB-CD1 3.75Å; F84-L90 HydrophobicContact CB-CB 4.24Å; F84-L90 HydrophobicContact CD2-CB 3.76Å; F84-L90 HydrophobicContact CD2-CD1 3.89Å; F84-L90 HydrophobicContact CD2-CG 4.43Å; F84-L90 HydrophobicContact CE2-CD1 4.04Å; F84-L90 HydrophobicContact CG-CB 4.17Å; R86-L90 PolarHBondContact O-N 3.13Å; Y87-L90 HydrophobicContact CD2-CD2 4.38Å; Y87-L90 CarbonylContact O-C 3.4Å; Y87-L90 WeakPolarHBondContact O-CA 3.34Å; Y87-L90 WeakPolarHBondContact O-CB 3.47Å; Y87-L90 PolarHBondContact O-N 2.93Å; L90-I92 PolarHBondContact O-N 3.37Å; L90-H93 CarbonylContact O-C 3.59Å; L90-H93 WeakPolarHBondContact O-CA 3.49Å; L90-H93 WeakPolarHBondContact O-CB 3.46Å; L90-H93 PolarHBondContact O-N 2.99Å; L90-H93 VanDerWaalsContact O-N 3.09Å; L90-K94 HydrophobicContact CD1-CG 4.24Å; L90-K94 WeakPolarHBondContact O-CG 3.21Å; L90-K94 PolarHBondContact O-N 3.09Å
91Q78.7Confident76.8Confident50 Ų5077.8 Ų77.823%0.23437%0.373CS..Hα-helixtrans-62.5-42.9178.6-67.4-58.9-28.300112.2Y87 N88 H89 H93 K94 R95Y87-Q91 HydrophobicContact CD1-CG 3.95Å; Y87-Q91 HydrophobicContact CE1-CG 3.7Å; Y87-Q91 HydrophobicContact CE2-CG 4.3Å; Y87-Q91 HydrophobicContact CG-CG 4.39Å; Y87-Q91 WeakPolarHBondContact O-CG 3.34Å; Y87-Q91 PolarHBondContact O-N 3.17Å; Y87-Q91 PolarHBondContact OH-NE2 2.99Å; N88-Q91 PolarHBondContact O-N 3.44Å; H89-Q91 VanDerWaalsContact C-N 3.35Å; Q91-H93 VanDerWaalsContact C-N 3.3Å; Q91-H93 PolarHBondContact O-N 3.12Å; Q91-K94 PolarHBondContact O-N 3.19Å; Q91-R95 PolarHBondContact O-N 3.19Å
92I74.7Confident76.9Confident54 Ų5479.3 Ų79.328%0.27737%0.374SS..Hα-helixtrans-64-36.8172.8-66.7163.9000111N88 H89 L90 R95 C114N88-I92 WeakPolarHBondContact O-CD1 3.43Å; N88-I92 VanDerWaalsContact O-CG1 3.23Å; N88-I92 WeakPolarHBondContact O-CG1 3.46Å; N88-I92 PolarHBondContact O-N 3.43Å; H89-I92 PolarHBondContact O-N 3.5Å; L90-I92 PolarHBondContact O-N 3.37Å; I92-R95 WeakPolarHBondContact O-CB 3.46Å; I92-R95 PolarHBondContact O-N 2.87Å; I92-C114 HydrophobicContact CD1-CB 4.05Å; I92-C114 HydrophobicContact CG1-CB 4.27Å; I92-C114 HydrophobicContact CG2-CB 4.26Å
93H76.5Confident77Confident20 Ų2077.5 Ų77.59%0.09337%0.365CS..Hα-helixtrans-67.2-39.8175178.860.1000112.3C80 F84 H89 L90 Q91 R95 T96 H97C80-H93 PolarHBondContact SG-NE2 3.47Å; F84-H93 HydrophobicContact CE1-CB 3.9Å; F84-H93 HydrophobicContact CE2-CB 3.7Å; F84-H93 AromaticContact CE2-CD2 3.55Å; F84-H93 AromaticContact CE2-CG 3.67Å; F84-H93 HydrophobicContact CZ-CB 3.27Å; F84-H93 AromaticContact CZ-CD2 3.53Å; F84-H93 AromaticContact CZ-CG 3.23Å; F84-H93 AromaticContact CZ-ND1 3.89Å; H89-H93 WeakPolarHBondContact O-CB 3.41Å; H89-H93 PolarHBondContact O-N 2.93Å; L90-H93 CarbonylContact O-C 3.59Å; L90-H93 WeakPolarHBondContact O-CA 3.49Å; L90-H93 WeakPolarHBondContact O-CB 3.46Å; L90-H93 PolarHBondContact O-N 2.99Å; L90-H93 VanDerWaalsContact O-N 3.09Å; Q91-H93 VanDerWaalsContact C-N 3.3Å; Q91-H93 PolarHBondContact O-N 3.12Å; H93-R95 PolarHBondContact O-N 3.2Å; H93-T96 PolarHBondContact ND1-OG1 3.02Å; H93-T96 WeakPolarHBondContact O-CB 3.39Å; H93-T96 PolarHBondContact O-N 2.8Å; H93-T96 PolarHBondContact O-OG1 2.82Å; H93-H97 AromaticContact CE1-CD2 3.9Å; H93-H97 AromaticContact CE1-NE2 3.29Å; H93-H97 PolarHBondContact CE1-NE2 3.35Å; H93-H97 VanDerWaalsContact CE1-NE2 3.29Å; H93-H97 AromaticContact NE2-CD2 3.7Å; H93-H97 AromaticContact NE2-NE2 3.02Å; H93-H97 PolarHBondContact NE2-NE2 3.36Å
94K78.6Confident77.1Confident73 Ų7380.8 Ų80.832%0.31737%0.374SS..Hα-helixtrans-53.9-39.2176.6-75.9177.4178.6176.70111.5L90 Q91 T96 H97 T98L90-K94 HydrophobicContact CD1-CG 4.24Å; L90-K94 WeakPolarHBondContact O-CG 3.21Å; L90-K94 PolarHBondContact O-N 3.09Å; Q91-K94 PolarHBondContact O-N 3.19Å; K94-T96 PolarHBondContact O-N 3Å; K94-H97 PolarHBondContact O-N 2.97Å; K94-T98 PolarHBondContact O-N 3.43Å
95R79.1Confident77.5Confident58 Ų5879 Ų7922%0.21937%0.366CS..Hα-helixtrans-60-23.7175.3-64.1173.6-173.51660.8114.7Q91 I92 H93 H97 T98 R99 Q100 S113Q91-R95 PolarHBondContact O-N 3.19Å; I92-R95 WeakPolarHBondContact O-CB 3.46Å; I92-R95 PolarHBondContact O-N 2.87Å; H93-R95 PolarHBondContact O-N 3.2Å; R95-H97 PolarHBondContact O-N 3.11Å; R95-T98 WeakPolarHBondContact CA-OG1 3.49Å; R95-R99 WeakPolarHBondContact O-CA 3.24Å; R95-R99 PolarHBondContact O-N 2.98Å; R95-R99 VanDerWaalsContact O-N 3.08Å; R95-Q100 WeakPolarHBondContact CB-O 3.42Å; R95-Q100 HydrophobicContact CG-CB 4.38Å; R95-Q100 PolarHBondContact O-N 3.09Å; R95-S113 WeakPolarHBondContact CD-O 3.47Å; R95-S113 PolarHBondContact NH1-O 3.22Å
96T69.7Low78.1Confident87 Ų8782.7 Ų82.753%0.53439%0.389SS..Hα-helixtrans-69.7-25.7176.269.10000112.4H93 K94H93-T96 PolarHBondContact ND1-OG1 3.02Å; H93-T96 WeakPolarHBondContact O-CB 3.39Å; H93-T96 PolarHBondContact O-N 2.8Å; H93-T96 PolarHBondContact O-OG1 2.82Å; K94-T96 PolarHBondContact O-N 3Å
97H74.9Confident78.4Confident89 Ų8984.2 Ų84.241%0.41240%0.4SS..Hα-helixtrans-92.2-39.4179.3-61.4-96.1000111.9R77 H93 K94 R95 R99R77-H97 PolarHBondContact NH1-CD2 3.47Å; H93-H97 AromaticContact CE1-CD2 3.9Å; H93-H97 AromaticContact CE1-NE2 3.29Å; H93-H97 PolarHBondContact CE1-NE2 3.35Å; H93-H97 VanDerWaalsContact CE1-NE2 3.29Å; H93-H97 AromaticContact NE2-CD2 3.7Å; H93-H97 AromaticContact NE2-NE2 3.02Å; H93-H97 PolarHBondContact NE2-NE2 3.36Å; K94-H97 PolarHBondContact O-N 2.97Å; R95-H97 PolarHBondContact O-N 3.11Å; H97-R99 PolarHBondContact O-N 3.13Å
98T77.4Confident78.9Confident73 Ų7383.2 Ų83.245%0.44841%0.405SS..Hα-helixtrans-77.9-5.4176.860.50000113.3K94 R95 Q100K94-T98 PolarHBondContact O-N 3.43Å; R95-T98 WeakPolarHBondContact CA-OG1 3.49Å; T98-Q100 PolarHBondContact O-N 3.46Å; T98-Q100 WeakPolarHBondContact OG1-CB 3.33Å; T98-Q100 WeakPolarHBondContact OG1-CG 3.22Å; T98-Q100 PolarHBondContact OG1-OE1 3.38Å
99R70.7Confident79.5Confident219 Ų21981 Ų8183%0.82640%0.402SS*.  trans54.313.4-171.3-60-172.1-179.4-140.92.1114.5R95 H97 K101R95-R99 WeakPolarHBondContact O-CA 3.24Å; R95-R99 PolarHBondContact O-N 2.98Å; R95-R99 VanDerWaalsContact O-N 3.08Å; H97-R99 PolarHBondContact O-N 3.13Å; R99-K101 PolarHBondContact O-N 3.14Å
100Q73.8Confident79.7Confident119 Ų11982.7 Ų82.756%0.55641%0.409SS*.  trans-67.7130.9178.3-72.7172.5-10.800110.8R95 T98R95-Q100 WeakPolarHBondContact CB-O 3.42Å; R95-Q100 HydrophobicContact CG-CB 4.38Å; R95-Q100 PolarHBondContact O-N 3.09Å; T98-Q100 PolarHBondContact O-N 3.46Å; T98-Q100 WeakPolarHBondContact OG1-CB 3.33Å; T98-Q100 WeakPolarHBondContact OG1-CG 3.22Å; T98-Q100 PolarHBondContact OG1-OE1 3.38Å
101K79.2Confident80Confident109 Ų10985.3 Ų85.347%0.47442%0.424SS..  trans-138.578.7-178.7-69.2-177.9-172.5173.50109.6R99 Y103 V111 L112R99-K101 PolarHBondContact O-N 3.14Å; K101-Y103 PolarHBondContact O-N 2.89Å; K101-V111 HydrophobicContact CB-CB 3.77Å; K101-V111 HydrophobicContact CB-CG2 3.98Å; K101-V111 HydrophobicContact CD-CB 4.49Å; K101-V111 HydrophobicContact CD-CG2 3.99Å; K101-V111 WeakPolarHBondContact CD-O 3.35Å; K101-V111 WeakPolarHBondContact O-CB 3.49Å; K101-L112 CarbonylContact C-O 3.57Å; K101-L112 VanDerWaalsContact C-O 3.26Å; K101-L112 VanDerWaalsContact CA-O 3.32Å; K101-L112 WeakPolarHBondContact CA-O 3.43Å; K101-L112 WeakPolarHBondContact CB-O 3.3Å
102P80.4Confident80.2Confident83 Ų8384.3 Ų84.354%0.53942%0.421SS..  trans-72.4-12.3-169.728-34.1000113.9E104P102-E104 PolarHBondContact O-N 3.19Å
103Y83.7Confident80.5Confident76 Ų7683.4 Ų83.430%0.29842%0.419SS..EExtended strand (participates in β ladder)trans-96.195.3-176.2-58.5-81000110.6K101 V111 L112 C114 H115K101-Y103 PolarHBondContact O-N 2.89Å; Y103-V111 CarbonylContact O-C 3.53Å; Y103-V111 WeakPolarHBondContact O-CA 3.38Å; Y103-L112 PolarHBondContact N-O 3.45Å; Y103-L112 PolarHBondContact O-N 3.18Å; Y103-C114 VanDerWaalsContact CD2-C 3.4Å; Y103-C114 VanDerWaalsContact CD2-CA 3.43Å; Y103-C114 VanDerWaalsContact CE2-CA 3.43Å; Y103-H115 HydrophobicContact CD1-CB 4.09Å; Y103-H115 HydrophobicContact CE1-CB 3.73Å
104E84.8Confident80.8Confident107 Ų10783.5 Ų83.550%0.542%0.422SS..EExtended strand (participates in β ladder)trans-84.8143.6175.7-168.9171.416800112.1P102 G109 V111P102-E104 PolarHBondContact O-N 3.19Å; E104-G109 WeakPolarHBondContact OE1-CA 3.45Å; E104-V111 HydrophobicContact CB-CG1 4.01Å; E104-V111 HydrophobicContact CG-CG1 4Å
105C86.8Confident81.1Confident2 Ų284.7 Ų84.71%0.01443%0.428CS..  trans-90.6110.5169.1-176.80000110.5Q107 C108 G109 K110 L118 H125C105-Q107 PolarHBondContact O-N 3.31Å; C105-C108 PolarHBondContact O-N 3.45Å; C105-C108 VanDerWaalsContact O-N 3.1Å; C105-G109 WeakPolarHBondContact O-CA 3.43Å; C105-G109 PolarHBondContact O-N 2.97Å; C105-K110 HydrophobicContact CB-CB 4.39Å; C105-K110 PolarHBondContact N-O 3.12Å; C105-L118 HydrophobicContact CB-CD1 3.73Å; C105-H125 PolarHBondContact SG-NE2 3.16Å
106N87.5Confident81.4Confident154 Ų15490.8 Ų90.882%0.82445%0.451SS*.THydrogen-bonded Turntrans-58.2-20.3-179.3-56.11.3000114.6
107Q84.2Confident82.2Confident138 Ų13888.3 Ų88.365%0.64544%0.437SS*.THydrogen-bonded Turntrans-85.2-23.8179.5-72.4177.1-16.500113.9C105 H125C105-Q107 PolarHBondContact O-N 3.31Å; Q107-H125 PolarHBondContact OE1-CD2 3.44Å
108C87.8Confident82.8Confident67 Ų6784.6 Ų84.645%0.45342%0.421SS..THydrogen-bonded Turntrans-143.26.2-175.870.50000115.3C105 K110 H121 H125C105-C108 PolarHBondContact O-N 3.45Å; C105-C108 VanDerWaalsContact O-N 3.1Å; C108-K110 PolarHBondContact O-N 2.9Å; C108-K110 VanDerWaalsContact O-N 3.16Å; C108-K110 VanDerWaalsContact SG-CB 3.52Å; C108-H121 PolarHBondContact SG-NE2 2.92Å; C108-H125 VanDerWaalsContact SG-CE1 3.52Å; C108-H125 PolarHBondContact SG-NE2 3.06Å; C108-H125 VanDerWaalsContact SG-NE2 3.42Å
109G83.6Confident83.3Confident37 Ų3785.1 Ų85.138%0.38142%0.418SS..  trans68.66.8-178.700000114.8E104 C105 V111E104-G109 WeakPolarHBondContact OE1-CA 3.45Å; C105-G109 WeakPolarHBondContact O-CA 3.43Å; C105-G109 PolarHBondContact O-N 2.97Å; G109-V111 PolarHBondContact O-N 3.34Å
110K83.2Confident84.1Confident114 Ų11477.6 Ų77.650%0.49639%0.39SS..  trans-73.6117-176.2-171.9176.4-174.11740111.1C105 C108C105-K110 HydrophobicContact CB-CB 4.39Å; C105-K110 PolarHBondContact N-O 3.12Å; C108-K110 PolarHBondContact O-N 2.9Å; C108-K110 VanDerWaalsContact O-N 3.16Å; C108-K110 VanDerWaalsContact SG-CB 3.52Å
111V84Confident84.8Confident62 Ų6272.8 Ų72.838%0.37637%0.368SS..EExtended strand (participates in β ladder)trans-85.9136.9176.5-67.90000113K101 Y103 E104 G109K101-V111 HydrophobicContact CB-CB 3.77Å; K101-V111 HydrophobicContact CB-CG2 3.98Å; K101-V111 HydrophobicContact CD-CB 4.49Å; K101-V111 HydrophobicContact CD-CG2 3.99Å; K101-V111 WeakPolarHBondContact CD-O 3.35Å; K101-V111 WeakPolarHBondContact O-CB 3.49Å; Y103-V111 CarbonylContact O-C 3.53Å; Y103-V111 WeakPolarHBondContact O-CA 3.38Å; E104-V111 HydrophobicContact CB-CG1 4.01Å; E104-V111 HydrophobicContact CG-CG1 4Å; G109-V111 PolarHBondContact O-N 3.34Å
112L83Confident85.2Confident29 Ų2971.6 Ų71.615%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-132154.5-175.9-67.1165.1000111.8K101 Y103 L118 H121K101-L112 CarbonylContact C-O 3.57Å; K101-L112 VanDerWaalsContact C-O 3.26Å; K101-L112 VanDerWaalsContact CA-O 3.32Å; K101-L112 WeakPolarHBondContact CA-O 3.43Å; K101-L112 WeakPolarHBondContact CB-O 3.3Å; Y103-L112 PolarHBondContact N-O 3.45Å; Y103-L112 PolarHBondContact O-N 3.18Å; L112-L118 VanDerWaalsContact CD1-CA 3.41Å; L112-L118 HydrophobicContact CD1-CB 3.99Å; L112-L118 HydrophobicContact CD1-CD1 4Å; L112-H121 HydrophobicContact CD1-CB 3.5Å; L112-H121 VanDerWaalsContact CD1-CB 3.5Å
113S81.9Confident85.7Confident36 Ų3670.4 Ų70.425%0.25235%0.347SS..SBendtrans-81.8-20.8-172.254.80000114.7R95R95-S113 WeakPolarHBondContact CD-O 3.47Å; R95-S113 PolarHBondContact NH1-O 3.22Å
114C81.9Confident85.8Confident21 Ų2170.6 Ų70.614%0.14236%0.356CS..SBendtrans-145.8151.6178.5710000112.4I92 Y103 R116 S117 L118I92-C114 HydrophobicContact CD1-CB 4.05Å; I92-C114 HydrophobicContact CG1-CB 4.27Å; I92-C114 HydrophobicContact CG2-CB 4.26Å; Y103-C114 VanDerWaalsContact CD2-C 3.4Å; Y103-C114 VanDerWaalsContact CD2-CA 3.43Å; Y103-C114 VanDerWaalsContact CE2-CA 3.43Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.4Å; C114-S117 WeakPolarHBondContact O-CB 3.49Å; C114-S117 PolarHBondContact O-N 2.82Å; C114-S117 PolarHBondContact SG-OG 3.17Å; C114-L118 PolarHBondContact O-N 2.94Å
115H86.5Confident86Confident99 Ų9969 Ų6946%0.45835%0.349SS..Hα-helixtrans-55.9-44.4-179.8-179.6-110.6000112.8Y103 S117 L118 Q119Y103-H115 HydrophobicContact CD1-CB 4.09Å; Y103-H115 HydrophobicContact CE1-CB 3.73Å; H115-S117 PolarHBondContact O-N 3.17Å; H115-L118 WeakPolarHBondContact O-CA 3.23Å; H115-L118 WeakPolarHBondContact O-CB 3.44Å; H115-L118 PolarHBondContact O-N 2.82Å; H115-Q119 PolarHBondContact CE1-NE2 2.85Å; H115-Q119 VanDerWaalsContact CE1-NE2 3.29Å; H115-Q119 PolarHBondContact NE2-NE2 3.28Å; H115-Q119 WeakPolarHBondContact O-CG 3.46Å; H115-Q119 PolarHBondContact O-N 3.2Å
116R85.1Confident86Confident185 Ų18573.3 Ų73.370%0.69838%0.375SS*.Hα-helixtrans-57.2-37.8176.9-175.5-176.8-72-173.1-2.7112.3C114 Q119 Y120C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.4Å; R116-Q119 PolarHBondContact O-N 2.79Å; R116-Y120 HydrophobicContact CG-CD2 4.13Å; R116-Y120 HydrophobicContact CG-CE2 3.69Å; R116-Y120 WeakPolarHBondContact O-CD2 3.39Å; R116-Y120 PolarHBondContact O-N 2.79Å
117S86.7Confident85.9Confident35 Ų3568.1 Ų68.125%0.24536%0.358CS..Hα-helixtrans-68.4-38.1176.2-67.60000111.8C114 H115 Y120 H121C114-S117 WeakPolarHBondContact O-CB 3.49Å; C114-S117 PolarHBondContact O-N 2.82Å; C114-S117 PolarHBondContact SG-OG 3.17Å; H115-S117 PolarHBondContact O-N 3.17Å; S117-Y120 PolarHBondContact O-N 3.27Å; S117-H121 WeakPolarHBondContact O-CB 3.3Å; S117-H121 PolarHBondContact O-N 3.47Å
118L86.9Confident86Confident12 Ų1266.2 Ų66.26%0.06335%0.349CS..Hα-helixtrans-63.1-43.6173.7178.163.4000111.7C105 L112 C114 H115 Y120 H121 K122C105-L118 HydrophobicContact CB-CD1 3.73Å; L112-L118 VanDerWaalsContact CD1-CA 3.41Å; L112-L118 HydrophobicContact CD1-CB 3.99Å; L112-L118 HydrophobicContact CD1-CD1 4Å; C114-L118 PolarHBondContact O-N 2.94Å; H115-L118 WeakPolarHBondContact O-CA 3.23Å; H115-L118 WeakPolarHBondContact O-CB 3.44Å; H115-L118 PolarHBondContact O-N 2.82Å; L118-Y120 PolarHBondContact O-N 3.43Å; L118-H121 CarbonylContact O-C 3.53Å; L118-H121 WeakPolarHBondContact O-CA 3.36Å; L118-H121 WeakPolarHBondContact O-CB 3.46Å; L118-H121 PolarHBondContact O-N 2.89Å; L118-K122 HydrophobicContact CD1-CG 4.33Å; L118-K122 HydrophobicContact CG-CG 4.48Å; L118-K122 WeakPolarHBondContact O-CG 3.31Å; L118-K122 PolarHBondContact O-N 3.28Å
119Q88Confident86.1Confident83 Ų8368.6 Ų68.639%0.38835%0.352SS..Hα-helixtrans-57.8-48.4176.3-68.8-62.3-22.500112H115 R116 H121 K122 R123H115-Q119 PolarHBondContact CE1-NE2 2.85Å; H115-Q119 VanDerWaalsContact CE1-NE2 3.29Å; H115-Q119 PolarHBondContact NE2-NE2 3.28Å; H115-Q119 WeakPolarHBondContact O-CG 3.46Å; H115-Q119 PolarHBondContact O-N 3.2Å; R116-Q119 PolarHBondContact O-N 2.79Å; Q119-H121 VanDerWaalsContact C-N 3.26Å; Q119-H121 PolarHBondContact O-N 3.42Å; Q119-K122 PolarHBondContact O-N 3.32Å; Q119-R123 PolarHBondContact O-N 3.15Å
120Y88Confident86.2Confident62 Ų6270.3 Ų70.324%0.24336%0.355CS..Hα-helixtrans-64.6-30173.6-70.9-52.3000113.8R116 S117 L118 I141 R142R116-Y120 HydrophobicContact CG-CD2 4.13Å; R116-Y120 HydrophobicContact CG-CE2 3.69Å; R116-Y120 WeakPolarHBondContact O-CD2 3.39Å; R116-Y120 PolarHBondContact O-N 2.79Å; S117-Y120 PolarHBondContact O-N 3.27Å; L118-Y120 PolarHBondContact O-N 3.43Å; Y120-I141 HydrophobicContact CD1-CG2 4.27Å; Y120-R142 HydrophobicContact CD1-CG 3.78Å; Y120-R142 HydrophobicContact CD2-CG 4.38Å; Y120-R142 HydrophobicContact CE1-CG 3.98Å; Y120-R142 HydrophobicContact CG-CG 4Å
121H86.9Confident86.5Confident18 Ų1865.7 Ų65.78%0.08334%0.337CS..Hα-helixtrans-72.7-39.6176.2171.940.3000111.8C108 L112 S117 L118 Q119 R123 T124 H125C108-H121 PolarHBondContact SG-NE2 2.92Å; L112-H121 HydrophobicContact CD1-CB 3.5Å; L112-H121 VanDerWaalsContact CD1-CB 3.5Å; S117-H121 WeakPolarHBondContact O-CB 3.3Å; S117-H121 PolarHBondContact O-N 3.47Å; L118-H121 CarbonylContact O-C 3.53Å; L118-H121 WeakPolarHBondContact O-CA 3.36Å; L118-H121 WeakPolarHBondContact O-CB 3.46Å; L118-H121 PolarHBondContact O-N 2.89Å; Q119-H121 VanDerWaalsContact C-N 3.26Å; Q119-H121 PolarHBondContact O-N 3.42Å; H121-R123 PolarHBondContact O-N 3.14Å; H121-T124 PolarHBondContact ND1-OG1 2.8Å; H121-T124 VanDerWaalsContact ND1-OG1 3.17Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3.01Å; H121-T124 PolarHBondContact O-OG1 3.04Å; H121-H125 AromaticContact CE1-CE1 3.79Å; H121-H125 AromaticContact CE1-NE2 3.46Å; H121-H125 PolarHBondContact CE1-NE2 2.88Å; H121-H125 AromaticContact NE2-NE2 3.51Å
122K89.1Confident86.8Confident83 Ų8368.2 Ų68.236%0.36135%0.345SS..Hα-helixtrans-56.1-35.2176.1-73.1-178175.9-173.80112L118 Q119 T124 H125 T126L118-K122 HydrophobicContact CD1-CG 4.33Å; L118-K122 HydrophobicContact CG-CG 4.48Å; L118-K122 WeakPolarHBondContact O-CG 3.31Å; L118-K122 PolarHBondContact O-N 3.28Å; Q119-K122 PolarHBondContact O-N 3.32Å; K122-T124 PolarHBondContact O-N 3.25Å; K122-T124 VanDerWaalsContact O-N 3.15Å; K122-H125 WeakPolarHBondContact O-CB 3.48Å; K122-H125 PolarHBondContact O-N 3.49Å; K122-T126 PolarHBondContact O-N 3.41Å
123R89.9Confident87.3Confident59 Ų5967 Ų6722%0.22334%0.338CS..Hα-helixtrans-60.3-20.8172.9-65.3-178.8-179-176.6-4.8114.7Q119 H121 H125 T126 G127 E128 T130 I141Q119-R123 PolarHBondContact O-N 3.15Å; H121-R123 PolarHBondContact O-N 3.14Å; R123-H125 VanDerWaalsContact C-N 3.26Å; R123-H125 PolarHBondContact O-N 3.43Å; R123-T126 WeakPolarHBondContact CA-OG1 3.47Å; R123-G127 WeakPolarHBondContact O-CA 3.39Å; R123-G127 PolarHBondContact O-N 2.99Å; R123-E128 HydrophobicContact CG-CB 4.37Å; R123-E128 PolarHBondContact O-N 2.92Å; R123-T130 PolarHBondContact NH1-OG1 3.48Å; R123-I141 HydrophobicContact CB-CG2 3.75Å; R123-I141 HydrophobicContact CG-CG2 4.4Å; R123-I141 PolarHBondContact NH1-O 2.81Å; R123-I141 VanDerWaalsContact NH1-O 3.1Å
124T86.4Confident87.8Confident79 Ų7972.8 Ų72.849%0.48537%0.367SS..Hα-helixtrans-72.1-23.1174.567.90000112.6H121 K122 I141H121-T124 PolarHBondContact ND1-OG1 2.8Å; H121-T124 VanDerWaalsContact ND1-OG1 3.17Å; H121-T124 WeakPolarHBondContact O-CB 3.46Å; H121-T124 PolarHBondContact O-N 3.01Å; H121-T124 PolarHBondContact O-OG1 3.04Å; K122-T124 PolarHBondContact O-N 3.25Å; K122-T124 VanDerWaalsContact O-N 3.15Å; T124-I141 HydrophobicContact CG2-CD1 3.81Å
125H88.3Confident88.1Confident74 Ų7478.6 Ų78.634%0.34339%0.392SS..Hα-helixtrans-86.4-41.3177.3-57.6-52.1000111.5C105 Q107 C108 H121 K122 R123 G127C105-H125 PolarHBondContact SG-NE2 3.16Å; Q107-H125 PolarHBondContact OE1-CD2 3.44Å; C108-H125 VanDerWaalsContact SG-CE1 3.52Å; C108-H125 PolarHBondContact SG-NE2 3.06Å; C108-H125 VanDerWaalsContact SG-NE2 3.42Å; H121-H125 AromaticContact CE1-CE1 3.79Å; H121-H125 AromaticContact CE1-NE2 3.46Å; H121-H125 PolarHBondContact CE1-NE2 2.88Å; H121-H125 AromaticContact NE2-NE2 3.51Å; K122-H125 WeakPolarHBondContact O-CB 3.48Å; K122-H125 PolarHBondContact O-N 3.49Å; R123-H125 VanDerWaalsContact C-N 3.26Å; R123-H125 PolarHBondContact O-N 3.43Å; H125-G127 VanDerWaalsContact C-N 3.3Å
126T87.3Confident88.4Confident92 Ų9276.4 Ų76.456%0.56439%0.387SS*.Hα-helixtrans-77.4-17.917861.70000113K122 R123 E128K122-T126 PolarHBondContact O-N 3.41Å; R123-T126 WeakPolarHBondContact CA-OG1 3.47Å; T126-E128 PolarHBondContact O-N 3.35Å; T126-E128 VanDerWaalsContact OG1-CB 3.29Å; T126-E128 WeakPolarHBondContact OG1-CB 3.28Å; T126-E128 PolarHBondContact OG1-N 2.72Å
127G85.2Confident88.6Confident46 Ų4669.5 Ų69.547%0.47437%0.374SS..  trans71.38.3-172.900000113.7R123 H125 K129R123-G127 WeakPolarHBondContact O-CA 3.39Å; R123-G127 PolarHBondContact O-N 2.99Å; H125-G127 VanDerWaalsContact C-N 3.3Å; G127-K129 WeakPolarHBondContact O-CG 3.43Å; G127-K129 PolarHBondContact O-N 3.47Å
128E87Confident88.9Confident98 Ų9873.9 Ų73.946%0.45839%0.388SS..  trans-67.2120.8-177.1-170.6-163.6153.900111.4R123 T126 T130R123-E128 HydrophobicContact CG-CB 4.37Å; R123-E128 PolarHBondContact O-N 2.92Å; T126-E128 PolarHBondContact O-N 3.35Å; T126-E128 VanDerWaalsContact OG1-CB 3.29Å; T126-E128 WeakPolarHBondContact OG1-CB 3.28Å; T126-E128 PolarHBondContact OG1-N 2.72Å; E128-T130 HydrophobicContact CG-CG2 4.25Å; E128-T130 WeakPolarHBondContact OE1-CG2 3.42Å
129K89Confident89.1Confident116 Ų11674.8 Ų74.850%0.50440%0.397SS..  trans-125.393.7-177.6-64.3-176-153.61670110.1G127 C131 A139 F140 I141G127-K129 WeakPolarHBondContact O-CG 3.43Å; G127-K129 PolarHBondContact O-N 3.47Å; K129-C131 VanDerWaalsContact C-N 3.25Å; K129-C131 PolarHBondContact O-N 3.16Å; K129-A139 HydrophobicContact CB-CB 3.47Å; K129-A139 VanDerWaalsContact CB-CB 3.47Å; K129-A139 HydrophobicContact CD-CB 4.05Å; K129-A139 WeakPolarHBondContact CD-O 3.4Å; K129-A139 HydrophobicContact CG-CB 4.41Å; K129-F140 CarbonylContact C-O 3.51Å; K129-F140 WeakPolarHBondContact CA-O 3.4Å; K129-I141 HydrophobicContact CG-CG1 4.04Å
130T86.8Confident89.3Confident73 Ų7372.7 Ų72.745%0.44839%0.387SS..  trans-76.4-5.2-17360.80000114.7R123 E128 F140R123-T130 PolarHBondContact NH1-OG1 3.48Å; E128-T130 HydrophobicContact CG-CG2 4.25Å; E128-T130 WeakPolarHBondContact OE1-CG2 3.42Å; T130-F140 PolarHBondContact N-O 2.79Å
131C89.1Confident89.4Confident18 Ų1871.1 Ų71.112%0.12238%0.383CS..EExtended strand (participates in β ladder)trans-122.997.2-173.1-590000110.5K129 A139 F140 L146K129-C131 VanDerWaalsContact C-N 3.25Å; K129-C131 PolarHBondContact O-N 3.16Å; C131-A139 CarbonylContact O-C 3.6Å; C131-A139 WeakPolarHBondContact O-CA 3.36Å; C131-F140 HydrophobicContact CB-CB 4.43Å; C131-F140 PolarHBondContact N-O 3.1Å; C131-F140 VanDerWaalsContact N-O 3.1Å; C131-F140 PolarHBondContact O-N 3.41Å; C131-L146 HydrophobicContact CB-CB 4.09Å; C131-L146 HydrophobicContact CB-CD2 3.89Å
132E90.8Very high89.4Confident115 Ų11574.7 Ų74.754%0.53740%0.395SS..EExtended strand (participates in β ladder)trans-93.6145.8-178.3-166.7174167.800113.3G137 A139 L146E132-G137 WeakPolarHBondContact OE1-CA 3.43Å; E132-A139 HydrophobicContact CB-CB 4.42Å; E132-A139 HydrophobicContact CG-CB 4.44Å; E132-L146 WeakPolarHBondContact O-CD2 3.27Å
133C92.7Very high89.5Confident2 Ų274.2 Ų74.21%0.01440%0.401CS..  trans-91.3109.5172.4-175.80000111Q135 C136 G137 K138 F140 L146 H153C133-Q135 PolarHBondContact O-N 3.11Å; C133-C136 PolarHBondContact O-N 3.26Å; C133-C136 VanDerWaalsContact O-N 3.14Å; C133-G137 WeakPolarHBondContact O-CA 3.39Å; C133-G137 PolarHBondContact O-N 2.92Å; C133-K138 WeakPolarHBondContact CB-O 3.46Å; C133-K138 PolarHBondContact N-O 3.31Å; C133-F140 HydrophobicContact CB-CE2 4.46Å; C133-L146 HydrophobicContact CB-CD1 3.58Å; C133-H153 PolarHBondContact SG-NE2 3.13Å; C133-H153 VanDerWaalsContact SG-NE2 3.35Å
134N91.4Very high89.4Confident159 Ų15976 Ų7685%0.8542%0.418SS*.THydrogen-bonded Turntrans-58.9-20.2-180-57.5-3.2000114.7
135Q89.5Confident89.6Confident142 Ų14276 Ų7666%0.66441%0.413SS*.THydrogen-bonded Turntrans-86.2-22.9-179.7-71.3176.5-10.200113.8C133 H153C133-Q135 PolarHBondContact O-N 3.11Å; Q135-H153 PolarHBondContact OE1-CD2 3.2Å
136C92.6Very high89.8Confident53 Ų5373.5 Ų73.536%0.35840%0.402SS..THydrogen-bonded Turntrans-142.83.7-174.973.10000115.1C133 K138 H149 H153C133-C136 PolarHBondContact O-N 3.26Å; C133-C136 VanDerWaalsContact O-N 3.14Å; C136-K138 PolarHBondContact O-N 3.13Å; C136-K138 VanDerWaalsContact O-N 3.13Å; C136-K138 VanDerWaalsContact SG-CG 3.57Å; C136-H149 PolarHBondContact SG-NE2 3.4Å; C136-H153 PolarHBondContact SG-NE2 3.35Å
137G90Very high90Very high41 Ų4174.1 Ų74.142%0.42340%0.399SS..  trans68.43.9-178.800000115E132 C133 A139E132-G137 WeakPolarHBondContact OE1-CA 3.43Å; C133-G137 WeakPolarHBondContact O-CA 3.39Å; C133-G137 PolarHBondContact O-N 2.92Å; G137-A139 PolarHBondContact O-N 3.35Å
138K91.9Very high90.4Very high126 Ų12674.3 Ų74.355%0.54839%0.391SS..  trans-71.3120178.9-71-177.9-172.1178.20110C133 C136 F140C133-K138 WeakPolarHBondContact CB-O 3.46Å; C133-K138 PolarHBondContact N-O 3.31Å; C136-K138 PolarHBondContact O-N 3.13Å; C136-K138 VanDerWaalsContact O-N 3.13Å; C136-K138 VanDerWaalsContact SG-CG 3.57Å; K138-F140 HydrophobicContact CB-CE2 3.84Å; K138-F140 HydrophobicContact CB-CZ 3.96Å; K138-F140 WeakPolarHBondContact O-CD2 3.43Å; K138-F140 WeakPolarHBondContact O-CE2 3.4Å
139A91.9Very high90.6Very high31 Ų3170.6 Ų70.626%0.25637%0.373SS..EExtended strand (participates in β ladder)trans-92.9149173.700000112.5K129 C131 E132 G137K129-A139 HydrophobicContact CB-CB 3.47Å; K129-A139 VanDerWaalsContact CB-CB 3.47Å; K129-A139 HydrophobicContact CD-CB 4.05Å; K129-A139 WeakPolarHBondContact CD-O 3.4Å; K129-A139 HydrophobicContact CG-CB 4.41Å; C131-A139 CarbonylContact O-C 3.6Å; C131-A139 WeakPolarHBondContact O-CA 3.36Å; E132-A139 HydrophobicContact CB-CB 4.42Å; E132-A139 HydrophobicContact CG-CB 4.44Å; G137-A139 PolarHBondContact O-N 3.35Å
140F91.1Very high90.8Very high39 Ų3969.5 Ų69.517%0.17137%0.368CS..EExtended strand (participates in β ladder)trans-131.7153.8-178.5-59.6-88.9000111.5K129 T130 C131 C133 K138 Q145 L146 H149K129-F140 CarbonylContact C-O 3.51Å; K129-F140 WeakPolarHBondContact CA-O 3.4Å; T130-F140 PolarHBondContact N-O 2.79Å; C131-F140 HydrophobicContact CB-CB 4.43Å; C131-F140 PolarHBondContact N-O 3.1Å; C131-F140 VanDerWaalsContact N-O 3.1Å; C131-F140 PolarHBondContact O-N 3.41Å; C133-F140 HydrophobicContact CB-CE2 4.46Å; K138-F140 HydrophobicContact CB-CE2 3.84Å; K138-F140 HydrophobicContact CB-CZ 3.96Å; K138-F140 WeakPolarHBondContact O-CD2 3.43Å; K138-F140 WeakPolarHBondContact O-CE2 3.4Å; F140-Q145 HydrophobicContact CB-CB 3.98Å; F140-Q145 HydrophobicContact CD1-CB 3.82Å; F140-Q145 HydrophobicContact CG-CB 4.14Å; F140-L146 HydrophobicContact CB-CB 4.31Å; F140-L146 HydrophobicContact CD2-CB 3.84Å; F140-L146 HydrophobicContact CD2-CD1 3.75Å; F140-L146 HydrophobicContact CD2-CG 4.39Å; F140-L146 HydrophobicContact CE2-CD1 3.9Å; F140-L146 HydrophobicContact CG-CB 4.26Å; F140-H149 HydrophobicContact CE1-CB 3.88Å; F140-H149 HydrophobicContact CE2-CB 3.75Å; F140-H149 AromaticContact CE2-CD2 3.27Å; F140-H149 WeakPolarHBondContact CE2-CD2 3.29Å; F140-H149 AromaticContact CE2-CG 3.56Å; F140-H149 HydrophobicContact CZ-CB 3.33Å; F140-H149 AromaticContact CZ-CD2 3.36Å; F140-H149 WeakPolarHBondContact CZ-CD2 3.37Å; F140-H149 AromaticContact CZ-CG 3.17Å; F140-H149 AromaticContact CZ-ND1 3.86Å
141I90Very high91.2Very high29 Ų2968.2 Ų68.215%0.14936%0.355CS..SBendtrans-75.5-35.4-179.7-62.7177.2000111.1Y120 R123 T124 K129Y120-I141 HydrophobicContact CD1-CG2 4.27Å; R123-I141 HydrophobicContact CB-CG2 3.75Å; R123-I141 HydrophobicContact CG-CG2 4.4Å; R123-I141 PolarHBondContact NH1-O 2.81Å; R123-I141 VanDerWaalsContact NH1-O 3.1Å; T124-I141 HydrophobicContact CG2-CD1 3.81Å; K129-I141 HydrophobicContact CG-CG1 4.04Å
142R88.6Confident91.3Very high93 Ų9371.8 Ų71.835%0.35138%0.377SS..SBendtrans-120.8142-175.5-61.8-178.6179.6177.6-0111.3Y120 T144 Q145 L146Y120-R142 HydrophobicContact CD1-CG 3.78Å; Y120-R142 HydrophobicContact CD2-CG 4.38Å; Y120-R142 HydrophobicContact CE1-CG 3.98Å; Y120-R142 HydrophobicContact CG-CG 4Å; R142-T144 PolarHBondContact O-N 2.98Å; R142-Q145 HydrophobicContact CB-CG 4.13Å; R142-Q145 WeakPolarHBondContact O-CB 3.39Å; R142-Q145 PolarHBondContact O-N 2.89Å; R142-L146 PolarHBondContact O-N 3.18Å
143P89.5Confident91.4Very high73 Ų7369.9 Ų69.947%0.47437%0.368SS..Hα-helixtrans-56.5-36.4174.7-25.432.5000113.5Q145 L146 Q147P143-Q145 VanDerWaalsContact C-N 3.27Å; P143-Q145 PolarHBondContact O-N 3.48Å; P143-L146 PolarHBondContact O-N 3.04Å; P143-Q147 PolarHBondContact O-N 3.14Å
144T88.2Confident91.4Very high97 Ų9773 Ų7360%0.59539%0.39SS*.Hα-helixtrans-65.3-28.7178.454.30000113.4R142 T148R142-T144 PolarHBondContact O-N 2.98Å; T144-T148 WeakPolarHBondContact O-CG2 3.33Å; T144-T148 PolarHBondContact O-N 2.81Å; T144-T148 VanDerWaalsContact O-N 3.13Å; T144-T148 PolarHBondContact O-OG1 3.1Å
145Q90.8Very high91.4Very high78 Ų7867.6 Ų67.636%0.36437%0.372SS..Hα-helixtrans-74.1-39.9174.3-66.9170.7-24.400111.1F140 R142 P143 Q147 T148 H149F140-Q145 HydrophobicContact CB-CB 3.98Å; F140-Q145 HydrophobicContact CD1-CB 3.82Å; F140-Q145 HydrophobicContact CG-CB 4.14Å; R142-Q145 HydrophobicContact CB-CG 4.13Å; R142-Q145 WeakPolarHBondContact O-CB 3.39Å; R142-Q145 PolarHBondContact O-N 2.89Å; P143-Q145 VanDerWaalsContact C-N 3.27Å; P143-Q145 PolarHBondContact O-N 3.48Å; Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q145-T148 PolarHBondContact O-OG1 3.1Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å; Q145-H149 VanDerWaalsContact O-CB 3.28Å; Q145-H149 WeakPolarHBondContact O-CB 3.25Å; Q145-H149 PolarHBondContact O-N 3.32Å
146L92.7Very high91.6Very high22 Ų2265.9 Ų65.912%0.11536%0.363CS..Hα-helixtrans-62.1-44.5172.3173.961.2000110.6C131 E132 C133 F140 R142 P143 T148 H149 K150C131-L146 HydrophobicContact CB-CB 4.09Å; C131-L146 HydrophobicContact CB-CD2 3.89Å; E132-L146 WeakPolarHBondContact O-CD2 3.27Å; C133-L146 HydrophobicContact CB-CD1 3.58Å; F140-L146 HydrophobicContact CB-CB 4.31Å; F140-L146 HydrophobicContact CD2-CB 3.84Å; F140-L146 HydrophobicContact CD2-CD1 3.75Å; F140-L146 HydrophobicContact CD2-CG 4.39Å; F140-L146 HydrophobicContact CE2-CD1 3.9Å; F140-L146 HydrophobicContact CG-CB 4.26Å; R142-L146 PolarHBondContact O-N 3.18Å; P143-L146 PolarHBondContact O-N 3.04Å; L146-T148 PolarHBondContact O-N 3.25Å; L146-H149 CarbonylContact O-C 3.37Å; L146-H149 WeakPolarHBondContact O-CA 3.41Å; L146-H149 WeakPolarHBondContact O-CB 3.25Å; L146-H149 PolarHBondContact O-N 3.49Å; L146-H149 VanDerWaalsContact O-N 3.12Å; L146-K150 HydrophobicContact CD1-CG 4.31Å; L146-K150 WeakPolarHBondContact O-CG 3.46Å; L146-K150 PolarHBondContact O-N 3.22Å
147Q92Very high91.7Very high106 Ų10669.3 Ų69.350%0.49537%0.372SS..Hα-helixtrans-61.7-43.9179.8-172.561.514.200112.3P143 Q145 H149 K150P143-Q147 PolarHBondContact O-N 3.14Å; Q145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-H149 VanDerWaalsContact C-N 3.31Å; Q147-K150 PolarHBondContact O-N 2.76Å
148T92.4Very high91.8Very high50 Ų5071 Ų7131%0.30738%0.376SS..Hα-helixtrans-70-30174.856.70000112.4T144 Q145 L146 R151T144-T148 WeakPolarHBondContact O-CG2 3.33Å; T144-T148 PolarHBondContact O-N 2.81Å; T144-T148 VanDerWaalsContact O-N 3.13Å; T144-T148 PolarHBondContact O-OG1 3.1Å; Q145-T148 PolarHBondContact O-OG1 3.1Å; Q145-T148 VanDerWaalsContact O-OG1 3.08Å; L146-T148 PolarHBondContact O-N 3.25Å; T148-R151 WeakPolarHBondContact O-CB 3.48Å
149H92.5Very high92Very high19 Ų1968.2 Ų68.29%0.08836%0.362CS..Hα-helixtrans-67-41.3172.7169.455.9000112.5C136 F140 Q145 L146 Q147 R151 T152 H153C136-H149 PolarHBondContact SG-NE2 3.4Å; F140-H149 HydrophobicContact CE1-CB 3.88Å; F140-H149 HydrophobicContact CE2-CB 3.75Å; F140-H149 AromaticContact CE2-CD2 3.27Å; F140-H149 WeakPolarHBondContact CE2-CD2 3.29Å; F140-H149 AromaticContact CE2-CG 3.56Å; F140-H149 HydrophobicContact CZ-CB 3.33Å; F140-H149 AromaticContact CZ-CD2 3.36Å; F140-H149 WeakPolarHBondContact CZ-CD2 3.37Å; F140-H149 AromaticContact CZ-CG 3.17Å; F140-H149 AromaticContact CZ-ND1 3.86Å; Q145-H149 VanDerWaalsContact O-CB 3.28Å; Q145-H149 WeakPolarHBondContact O-CB 3.25Å; Q145-H149 PolarHBondContact O-N 3.32Å; L146-H149 CarbonylContact O-C 3.37Å; L146-H149 WeakPolarHBondContact O-CA 3.41Å; L146-H149 WeakPolarHBondContact O-CB 3.25Å; L146-H149 PolarHBondContact O-N 3.49Å; L146-H149 VanDerWaalsContact O-N 3.12Å; Q147-H149 VanDerWaalsContact C-N 3.31Å; H149-R151 PolarHBondContact O-N 3.37Å; H149-T152 PolarHBondContact CE1-OG1 3.24Å; H149-T152 VanDerWaalsContact CE1-OG1 3.3Å; H149-T152 PolarHBondContact ND1-OG1 3.04Å; H149-T152 WeakPolarHBondContact O-CB 3.38Å; H149-T152 WeakPolarHBondContact O-CG2 3.46Å; H149-T152 PolarHBondContact O-N 3.41Å; H149-T152 PolarHBondContact O-OG1 3.25Å; H149-H153 AromaticContact CE1-CE1 3.98Å; H149-H153 AromaticContact CE1-NE2 3.6Å; H149-H153 AromaticContact NE2-CE1 3.97Å; H149-H153 AromaticContact NE2-NE2 3.23Å; H149-H153 PolarHBondContact NE2-NE2 3.45Å
150K93Very high92.1Very high94 Ų9472 Ų7241%0.40938%0.375SS..Hα-helixtrans-54.1-29.3178.8-74.9-178.7177.4-175.70112.6L146 Q147 T152 H153 S154L146-K150 HydrophobicContact CD1-CG 4.31Å; L146-K150 WeakPolarHBondContact O-CG 3.46Å; L146-K150 PolarHBondContact O-N 3.22Å; Q147-K150 PolarHBondContact O-N 2.76Å; K150-T152 PolarHBondContact O-N 3.26Å; K150-H153 PolarHBondContact O-N 3.31Å; K150-S154 PolarHBondContact O-N 3.38Å
151R93.5Very high92.4Very high45 Ų4570.3 Ų70.317%0.1737%0.368CS..Hα-helixtrans-60.7-20.7173-59.5179.6177.9165.4-0.4114.3T148 H149 H153 G155 E156 A169T148-R151 WeakPolarHBondContact O-CB 3.48Å; H149-R151 PolarHBondContact O-N 3.37Å; R151-H153 PolarHBondContact O-N 3.14Å; R151-G155 WeakPolarHBondContact O-CA 3.37Å; R151-G155 PolarHBondContact O-N 3.05Å; R151-E156 HydrophobicContact CB-CB 4.33Å; R151-E156 HydrophobicContact CG-CB 4.18Å; R151-A169 HydrophobicContact CB-CB 3.99Å; R151-A169 WeakPolarHBondContact CD-O 3.37Å; R151-A169 PolarHBondContact NH1-O 3.16Å
152T92Very high92.5Very high93 Ų9376.4 Ų76.457%0.57140%0.401SS*.Hα-helixtrans-70.7-25173.966.30000112.4H149 K150H149-T152 PolarHBondContact CE1-OG1 3.24Å; H149-T152 VanDerWaalsContact CE1-OG1 3.3Å; H149-T152 PolarHBondContact ND1-OG1 3.04Å; H149-T152 WeakPolarHBondContact O-CB 3.38Å; H149-T152 WeakPolarHBondContact O-CG2 3.46Å; H149-T152 PolarHBondContact O-N 3.41Å; H149-T152 PolarHBondContact O-OG1 3.25Å; K150-T152 PolarHBondContact O-N 3.26Å
153H92.9Very high92.7Very high75 Ų7578.8 Ų78.835%0.34742%0.416SS..Hα-helixtrans-91.7-42.7178.1-54.4-53.2000111.6C133 Q135 C136 H149 K150 R151 G155C133-H153 PolarHBondContact SG-NE2 3.13Å; C133-H153 VanDerWaalsContact SG-NE2 3.35Å; Q135-H153 PolarHBondContact OE1-CD2 3.2Å; C136-H153 PolarHBondContact SG-NE2 3.35Å; H149-H153 AromaticContact CE1-CE1 3.98Å; H149-H153 AromaticContact CE1-NE2 3.6Å; H149-H153 AromaticContact NE2-CE1 3.97Å; H149-H153 AromaticContact NE2-NE2 3.23Å; H149-H153 PolarHBondContact NE2-NE2 3.45Å; K150-H153 PolarHBondContact O-N 3.31Å; R151-H153 PolarHBondContact O-N 3.14Å; H153-G155 VanDerWaalsContact C-N 3.29Å; H153-G155 PolarHBondContact O-N 3.26Å
154S92.4Very high92.9Very high68 Ų6878.1 Ų78.148%0.47641%0.412SS..Hα-helixtrans-74.9-18.3176.866.20000113.6K150 E156K150-S154 PolarHBondContact O-N 3.38Å; S154-E156 PolarHBondContact O-N 3.5Å; S154-E156 WeakPolarHBondContact OG-CG 3.44Å; S154-E156 PolarHBondContact OG-N 2.86Å; S154-E156 PolarHBondContact OG-OE1 3.36Å; S154-E156 VanDerWaalsContact OG-OE1 3.12Å
155G91Very high93.2Very high46 Ų4675.7 Ų75.747%0.47441%0.406SS..  trans76.41.5-175.400000114.2R151 H153 K157R151-G155 WeakPolarHBondContact O-CA 3.37Å; R151-G155 PolarHBondContact O-N 3.05Å; H153-G155 VanDerWaalsContact C-N 3.29Å; H153-G155 PolarHBondContact O-N 3.26Å; G155-K157 PolarHBondContact O-N 3.44Å
156E94Very high93.4Very high105 Ų10577.8 Ų77.849%0.49141%0.414SS..  trans-57.4128.4-179.8-80.2170-132.400112.8R151 S154R151-E156 HydrophobicContact CB-CB 4.33Å; R151-E156 HydrophobicContact CG-CB 4.18Å; S154-E156 PolarHBondContact O-N 3.5Å; S154-E156 WeakPolarHBondContact OG-CG 3.44Å; S154-E156 PolarHBondContact OG-N 2.86Å; S154-E156 PolarHBondContact OG-OE1 3.36Å; S154-E156 VanDerWaalsContact OG-OE1 3.12Å
157K94.5Very high93.5Very high125 Ų12578.2 Ų78.254%0.54342%0.421SS..  trans-133.477.1179.4-70.4166.1-179.9179.30110.7G155 Y159 A167 F168G155-K157 PolarHBondContact O-N 3.44Å; K157-Y159 PolarHBondContact O-N 3.26Å; K157-A167 HydrophobicContact CB-CB 3.49Å; K157-A167 VanDerWaalsContact CB-CB 3.49Å; K157-A167 HydrophobicContact CD-CB 4.08Å; K157-A167 WeakPolarHBondContact CD-O 3.43Å; K157-A167 HydrophobicContact CG-CB 4.38Å; K157-F168 CarbonylContact C-O 3.54Å; K157-F168 WeakPolarHBondContact CA-O 3.45Å
158P93.1Very high93.6Very high77 Ų7775.2 Ų75.250%0.541%0.407SS..  trans-64.8-14.5-172.9-22.834.6000115.3
159Y95.9Very high93.6Very high67 Ų6774 Ų7426%0.26340%0.402SS..EExtended strand (participates in β ladder)trans-107.995-175.1-53.7-77.2000110.4K157 A167 F168 Q171 F174K157-Y159 PolarHBondContact O-N 3.26Å; Y159-A167 CarbonylContact O-C 3.26Å; Y159-A167 WeakPolarHBondContact O-CA 3.4Å; Y159-F168 WeakPolarHBondContact CD2-O 3.45Å; Y159-F168 PolarHBondContact N-O 3.48Å; Y159-F168 PolarHBondContact O-N 3.13Å; Y159-Q171 HydrophobicContact CD1-CB 4.18Å; Y159-Q171 HydrophobicContact CD1-CG 4.13Å; Y159-Q171 HydrophobicContact CD2-CB 4.33Å; Y159-Q171 HydrophobicContact CE1-CB 3.72Å; Y159-Q171 HydrophobicContact CE1-CG 3.79Å; Y159-Q171 HydrophobicContact CE2-CB 3.9Å; Y159-Q171 HydrophobicContact CG-CB 4.46Å; Y159-F174 HydrophobicContact CD1-CD1 4.38Å; Y159-F174 HydrophobicContact CG-CB 4.38Å; Y159-F174 HydrophobicContact CG-CD1 4.42Å
160E94.9Very high93.6Very high110 Ų11075.4 Ų75.451%0.51441%0.411SS..EExtended strand (participates in β ladder)trans-96.8141.6-179.5-170174.1171.500112.9A167 F174E160-A167 HydrophobicContact CB-CB 4.26Å; E160-A167 HydrophobicContact CG-CB 4.3Å; E160-F174 WeakPolarHBondContact O-CE2 3.39Å; E160-F174 WeakPolarHBondContact O-CZ 3.27Å
161C95.6Very high93.6Very high5 Ų576 Ų763%0.03442%0.415CS..  trans-93.9105.5173.2-174.80000111.5Q163 C164 G165 K166 F174 H177 H181C161-Q163 PolarHBondContact O-N 2.87Å; C161-C164 PolarHBondContact O-N 3.36Å; C161-C164 VanDerWaalsContact O-N 3.11Å; C161-G165 WeakPolarHBondContact O-CA 3.49Å; C161-G165 PolarHBondContact O-N 3.06Å; C161-K166 VanDerWaalsContact CB-O 3.32Å; C161-K166 WeakPolarHBondContact CB-O 3.25Å; C161-K166 PolarHBondContact N-O 2.79Å; C161-F174 HydrophobicContact CB-CE2 3.85Å; C161-H177 PolarHBondContact SG-NE2 3.43Å; C161-H177 VanDerWaalsContact SG-NE2 3.42Å; C161-H181 VanDerWaalsContact SG-CD2 3.55Å; C161-H181 PolarHBondContact SG-NE2 2.82Å
162N93.5Very high93.5Very high156 Ų15680.9 Ų80.983%0.83444%0.435SS*.THydrogen-bonded Turntrans-59.8-20.6179.6-57.7-3.8000114.4
163Q92.1Very high93.6Very high144 Ų14479.9 Ų79.967%0.67343%0.426SS*.THydrogen-bonded Turntrans-82.7-21.3179.4-72173.4-19.400113.7C161 H181C161-Q163 PolarHBondContact O-N 2.87Å; Q163-H181 PolarHBondContact OE1-CD2 2.8Å
164C94.6Very high93.7Very high58 Ų5877.3 Ų77.339%0.39241%0.414SS..THydrogen-bonded Turntrans-1436.3-178.973.20000115.5C161 K166 H177C161-C164 PolarHBondContact O-N 3.36Å; C161-C164 VanDerWaalsContact O-N 3.11Å; C164-K166 PolarHBondContact O-N 2.83Å; C164-K166 VanDerWaalsContact O-N 3.14Å; C164-H177 VanDerWaalsContact SG-CE1 3.59Å; C164-H177 PolarHBondContact SG-NE2 3.38Å
165G92.8Very high93.8Very high46 Ų4678.3 Ų78.347%0.47441%0.411SS..  trans68.14.2-178.300000115.1C161 A167C161-G165 WeakPolarHBondContact O-CA 3.49Å; C161-G165 PolarHBondContact O-N 3.06Å; G165-A167 PolarHBondContact O-N 2.75Å
166K95.1Very high94Very high123 Ų12379.1 Ų79.154%0.53540%0.401SS..  trans-75.3123-179.5-72.5-176.8-179.1177.10110.9C161 C164 F168C161-K166 VanDerWaalsContact CB-O 3.32Å; C161-K166 WeakPolarHBondContact CB-O 3.25Å; C161-K166 PolarHBondContact N-O 2.79Å; C164-K166 PolarHBondContact O-N 2.83Å; C164-K166 VanDerWaalsContact O-N 3.14Å; K166-F168 HydrophobicContact CB-CE2 3.93Å; K166-F168 HydrophobicContact CB-CZ 4.08Å; K166-F168 WeakPolarHBondContact O-CE2 3.43Å
167A95.2Very high94Very high31 Ų3174.8 Ų74.826%0.25638%0.381SS..EExtended strand (participates in β ladder)trans-104.3147.7175.900000112.9K157 Y159 E160 G165K157-A167 HydrophobicContact CB-CB 3.49Å; K157-A167 VanDerWaalsContact CB-CB 3.49Å; K157-A167 HydrophobicContact CD-CB 4.08Å; K157-A167 WeakPolarHBondContact CD-O 3.43Å; K157-A167 HydrophobicContact CG-CB 4.38Å; Y159-A167 CarbonylContact O-C 3.26Å; Y159-A167 WeakPolarHBondContact O-CA 3.4Å; E160-A167 HydrophobicContact CB-CB 4.26Å; E160-A167 HydrophobicContact CG-CB 4.3Å; G165-A167 PolarHBondContact O-N 2.75Å
168F94.6Very high94Very high43 Ų4372.9 Ų72.919%0.18937%0.373CS..EExtended strand (participates in β ladder)trans-129.1143-176.9-57.7-94.1000111.5K157 Y159 K166 V170 N173 F174 H177K157-F168 CarbonylContact C-O 3.54Å; K157-F168 WeakPolarHBondContact CA-O 3.45Å; Y159-F168 WeakPolarHBondContact CD2-O 3.45Å; Y159-F168 PolarHBondContact N-O 3.48Å; Y159-F168 PolarHBondContact O-N 3.13Å; K166-F168 HydrophobicContact CB-CE2 3.93Å; K166-F168 HydrophobicContact CB-CZ 4.08Å; K166-F168 WeakPolarHBondContact O-CE2 3.43Å; F168-V170 VanDerWaalsContact C-N 3.3Å; F168-V170 PolarHBondContact O-N 3.45Å; F168-N173 HydrophobicContact CD1-CB 3.99Å; F168-F174 HydrophobicContact CB-CB 4.06Å; F168-F174 HydrophobicContact CD2-CB 3.89Å; F168-F174 AromaticContact CD2-CD2 3.71Å; F168-F174 HydrophobicContact CD2-CD2 3.71Å; F168-F174 HydrophobicContact CD2-CG 4.27Å; F168-F174 HydrophobicContact CE2-CD2 4.06Å; F168-F174 HydrophobicContact CG-CB 4.1Å; F168-H177 HydrophobicContact CE1-CB 3.91Å; F168-H177 HydrophobicContact CE2-CB 3.72Å; F168-H177 AromaticContact CE2-CD2 3.42Å; F168-H177 VanDerWaalsContact CE2-CD2 3.42Å; F168-H177 WeakPolarHBondContact CE2-CD2 3.4Å; F168-H177 AromaticContact CE2-CG 3.5Å; F168-H177 HydrophobicContact CZ-CB 3.32Å; F168-H177 AromaticContact CZ-CD2 3.62Å; F168-H177 AromaticContact CZ-CG 3.2Å; F168-H177 AromaticContact CZ-ND1 3.65Å
169A93.4Very high94.1Very high25 Ų2571.8 Ų71.821%0.20736%0.359CS..SBendtrans-74.9-18.8175.800000113.3R151R151-A169 HydrophobicContact CB-CB 3.99Å; R151-A169 WeakPolarHBondContact CD-O 3.37Å; R151-A169 PolarHBondContact NH1-O 3.16Å
170V92.2Very high94.1Very high47 Ų4774.2 Ų74.229%0.28538%0.375SS..SBendtrans-132.8130.4-173.8-176.20000110.5F168 Y172 N173 F174F168-V170 VanDerWaalsContact C-N 3.3Å; F168-V170 PolarHBondContact O-N 3.45Å; V170-Y172 VanDerWaalsContact C-N 3.3Å; V170-Y172 PolarHBondContact O-N 2.99Å; V170-N173 WeakPolarHBondContact O-CB 3.5Å; V170-N173 PolarHBondContact O-N 3.19Å; V170-F174 PolarHBondContact O-N 3.15Å
171Q92.7Very high94Very high106 Ų10672.3 Ų72.350%0.49537%0.366SS..Hα-helixtrans-56.3-41-177.8-166.7-179.55.600112.9Y159 N173 F174 Q175Y159-Q171 HydrophobicContact CD1-CB 4.18Å; Y159-Q171 HydrophobicContact CD1-CG 4.13Å; Y159-Q171 HydrophobicContact CD2-CB 4.33Å; Y159-Q171 HydrophobicContact CE1-CB 3.72Å; Y159-Q171 HydrophobicContact CE1-CG 3.79Å; Y159-Q171 HydrophobicContact CE2-CB 3.9Å; Y159-Q171 HydrophobicContact CG-CB 4.46Å; Q171-N173 VanDerWaalsContact C-N 3.31Å; Q171-N173 PolarHBondContact O-N 3.18Å; Q171-F174 WeakPolarHBondContact O-CB 2.86Å; Q171-F174 PolarHBondContact O-N 3.39Å; Q171-F174 VanDerWaalsContact O-N 3.17Å; Q171-Q175 HydrophobicContact CG-CG 4.42Å; Q171-Q175 WeakPolarHBondContact O-CG 3.49Å; Q171-Q175 PolarHBondContact O-N 3.45Å
172Y91.3Very high93.9Very high149 Ų14976 Ų7658%0.58439%0.389SS*.Hα-helixtrans-57.2-43.2177.2172.3-97.7000112.3V170 F174 Q175 K176V170-Y172 VanDerWaalsContact C-N 3.3Å; V170-Y172 PolarHBondContact O-N 2.99Å; Y172-F174 VanDerWaalsContact C-N 3.34Å; Y172-Q175 PolarHBondContact O-N 2.92Å; Y172-K176 HydrophobicContact CE1-CD 4.48Å; Y172-K176 VanDerWaalsContact O-CB 3.3Å; Y172-K176 WeakPolarHBondContact O-CB 3.48Å; Y172-K176 PolarHBondContact O-N 3.21Å
173N94.4Very high93.9Very high72 Ų7270.8 Ų70.839%0.38537%0.372SS..Hα-helixtrans-67.9-37.2178.5-70.6-18.8000111.4F168 V170 Q171 K176 H177F168-N173 HydrophobicContact CD1-CB 3.99Å; V170-N173 WeakPolarHBondContact O-CB 3.5Å; V170-N173 PolarHBondContact O-N 3.19Å; Q171-N173 VanDerWaalsContact C-N 3.31Å; Q171-N173 PolarHBondContact O-N 3.18Å; N173-K176 PolarHBondContact O-N 3.23Å; N173-H177 WeakPolarHBondContact O-CB 3.44Å; N173-H177 PolarHBondContact O-N 3.34Å
174F95.3Very high94Very high21 Ų2169 Ų699%0.09236%0.363CS..Hα-helixtrans-63.5-47.5173.5174.2-126.7000112.5Y159 E160 C161 F168 V170 Q171 Y172 K176 H177 K178Y159-F174 HydrophobicContact CD1-CD1 4.38Å; Y159-F174 HydrophobicContact CG-CB 4.38Å; Y159-F174 HydrophobicContact CG-CD1 4.42Å; E160-F174 WeakPolarHBondContact O-CE2 3.39Å; E160-F174 WeakPolarHBondContact O-CZ 3.27Å; C161-F174 HydrophobicContact CB-CE2 3.85Å; F168-F174 HydrophobicContact CB-CB 4.06Å; F168-F174 HydrophobicContact CD2-CB 3.89Å; F168-F174 AromaticContact CD2-CD2 3.71Å; F168-F174 HydrophobicContact CD2-CD2 3.71Å; F168-F174 HydrophobicContact CD2-CG 4.27Å; F168-F174 HydrophobicContact CE2-CD2 4.06Å; F168-F174 HydrophobicContact CG-CB 4.1Å; V170-F174 PolarHBondContact O-N 3.15Å; Q171-F174 WeakPolarHBondContact O-CB 2.86Å; Q171-F174 PolarHBondContact O-N 3.39Å; Q171-F174 VanDerWaalsContact O-N 3.17Å; Y172-F174 VanDerWaalsContact C-N 3.34Å; F174-K176 VanDerWaalsContact C-N 3.32Å; F174-K176 PolarHBondContact O-N 3.36Å; F174-H177 WeakPolarHBondContact O-CA 3.48Å; F174-H177 WeakPolarHBondContact O-CB 3.42Å; F174-H177 PolarHBondContact O-N 3.43Å; F174-K178 HydrophobicContact CE1-CD 4.42Å; F174-K178 HydrophobicContact CE2-CG 4.22Å; F174-K178 HydrophobicContact CZ-CD 4.3Å; F174-K178 HydrophobicContact CZ-CG 4.38Å; F174-K178 PolarHBondContact O-N 3.31Å
175Q93.7Very high94Very high88 Ų8872.3 Ų72.341%0.41137%0.371SS..Hα-helixtrans-61.8-41.9176.8-68.6-62.8-800111.8Q171 Y172 H177 K178Q171-Q175 HydrophobicContact CG-CG 4.42Å; Q171-Q175 WeakPolarHBondContact O-CG 3.49Å; Q171-Q175 PolarHBondContact O-N 3.45Å; Y172-Q175 PolarHBondContact O-N 2.92Å; Q175-H177 VanDerWaalsContact C-N 3.28Å; Q175-H177 PolarHBondContact O-N 3.31Å; Q175-K178 PolarHBondContact O-N 2.9Å
176K94.2Very high94Very high63 Ų6373.8 Ų73.827%0.27437%0.372SS..Hα-helixtrans-59.6-39.3172.3-178.9-175.8175.8-177.70111.9Y172 N173 F174Y172-K176 HydrophobicContact CE1-CD 4.48Å; Y172-K176 VanDerWaalsContact O-CB 3.3Å; Y172-K176 WeakPolarHBondContact O-CB 3.48Å; Y172-K176 PolarHBondContact O-N 3.21Å; N173-K176 PolarHBondContact O-N 3.23Å; F174-K176 VanDerWaalsContact C-N 3.32Å; F174-K176 PolarHBondContact O-N 3.36Å
177H95.3Very high94.1Very high15 Ų1571.3 Ų71.37%0.06936%0.36CS..Hα-helixtrans-67.2-40.9177.6166.571.8000112.8C161 C164 F168 N173 F174 Q175 R179 I180 H181C161-H177 PolarHBondContact SG-NE2 3.43Å; C161-H177 VanDerWaalsContact SG-NE2 3.42Å; C164-H177 VanDerWaalsContact SG-CE1 3.59Å; C164-H177 PolarHBondContact SG-NE2 3.38Å; F168-H177 HydrophobicContact CE1-CB 3.91Å; F168-H177 HydrophobicContact CE2-CB 3.72Å; F168-H177 AromaticContact CE2-CD2 3.42Å; F168-H177 VanDerWaalsContact CE2-CD2 3.42Å; F168-H177 WeakPolarHBondContact CE2-CD2 3.4Å; F168-H177 AromaticContact CE2-CG 3.5Å; F168-H177 HydrophobicContact CZ-CB 3.32Å; F168-H177 AromaticContact CZ-CD2 3.62Å; F168-H177 AromaticContact CZ-CG 3.2Å; F168-H177 AromaticContact CZ-ND1 3.65Å; N173-H177 WeakPolarHBondContact O-CB 3.44Å; N173-H177 PolarHBondContact O-N 3.34Å; F174-H177 WeakPolarHBondContact O-CA 3.48Å; F174-H177 WeakPolarHBondContact O-CB 3.42Å; F174-H177 PolarHBondContact O-N 3.43Å; Q175-H177 VanDerWaalsContact C-N 3.28Å; Q175-H177 PolarHBondContact O-N 3.31Å; H177-R179 PolarHBondContact O-N 3.49Å; H177-I180 VanDerWaalsContact O-CB 3.28Å; H177-I180 WeakPolarHBondContact O-CB 3.41Å; H177-I180 WeakPolarHBondContact O-CG1 3.04Å; H177-I180 PolarHBondContact O-N 3.13Å; H177-H181 AromaticContact CE1-NE2 3.78Å; H177-H181 AromaticContact NE2-CD2 4Å; H177-H181 AromaticContact NE2-NE2 3.32Å; H177-H181 PolarHBondContact NE2-NE2 3.37Å
178K94.7Very high94.1Very high85 Ų8576.4 Ų76.437%0.3738%0.379SS..Hα-helixtrans-53-31.3179-75-169.5176.6-171.80113.4F174 Q175 I180 H181 T182F174-K178 HydrophobicContact CE1-CD 4.42Å; F174-K178 HydrophobicContact CE2-CG 4.22Å; F174-K178 HydrophobicContact CZ-CD 4.3Å; F174-K178 HydrophobicContact CZ-CG 4.38Å; F174-K178 PolarHBondContact O-N 3.31Å; Q175-K178 PolarHBondContact O-N 2.9Å; K178-I180 PolarHBondContact O-N 3.04Å; K178-I180 VanDerWaalsContact O-N 3.09Å; K178-H181 PolarHBondContact O-N 3.07Å; K178-T182 PolarHBondContact O-N 2.98Å; K178-T182 VanDerWaalsContact O-N 3.09Å
179R95.1Very high94.2Very high54 Ų5474.5 Ų74.520%0.20437%0.371CS..Hα-helixtrans-58.8-20.6175.8-60.1-178.6-176165.21114.3H177 H181 T182 G183 E184 S197H177-R179 PolarHBondContact O-N 3.49Å; R179-H181 VanDerWaalsContact C-N 3.29Å; R179-T182 WeakPolarHBondContact CA-OG1 3.47Å; R179-G183 WeakPolarHBondContact O-CA 3.01Å; R179-G183 PolarHBondContact O-N 3.24Å; R179-G183 VanDerWaalsContact O-N 3.08Å; R179-E184 HydrophobicContact CB-CB 4.45Å; R179-E184 HydrophobicContact CG-CB 4.23Å; R179-S197 WeakPolarHBondContact CD-O 3.34Å; R179-S197 PolarHBondContact NH1-O 3.01Å
180I94.5Very high94.2Very high117 Ų11779.4 Ų79.460%0.639%0.393SS*.Hα-helixtrans-66.4-37.1174.1-64176000110.4H177 K178H177-I180 VanDerWaalsContact O-CB 3.28Å; H177-I180 WeakPolarHBondContact O-CB 3.41Å; H177-I180 WeakPolarHBondContact O-CG1 3.04Å; H177-I180 PolarHBondContact O-N 3.13Å; K178-I180 PolarHBondContact O-N 3.04Å; K178-I180 VanDerWaalsContact O-N 3.09Å
181H94.7Very high94.3Very high70 Ų7082.6 Ų82.632%0.32441%0.405SS..Hα-helixtrans-88.9-38.4-177.9-53.7-56.9000112.7C161 Q163 H177 K178 R179 G183C161-H181 VanDerWaalsContact SG-CD2 3.55Å; C161-H181 PolarHBondContact SG-NE2 2.82Å; Q163-H181 PolarHBondContact OE1-CD2 2.8Å; H177-H181 AromaticContact CE1-NE2 3.78Å; H177-H181 AromaticContact NE2-CD2 4Å; H177-H181 AromaticContact NE2-NE2 3.32Å; H177-H181 PolarHBondContact NE2-NE2 3.37Å; K178-H181 PolarHBondContact O-N 3.07Å; R179-H181 VanDerWaalsContact C-N 3.29Å; H181-G183 PolarHBondContact O-N 2.77Å
182T93Very high94.4Very high83 Ų8379.3 Ų79.351%0.50939%0.393SS..Hα-helixtrans-75.4-17.1177.1640000112.7K178 R179 E184K178-T182 PolarHBondContact O-N 2.98Å; K178-T182 VanDerWaalsContact O-N 3.09Å; R179-T182 WeakPolarHBondContact CA-OG1 3.47Å; T182-E184 PolarHBondContact O-N 3.29Å; T182-E184 WeakPolarHBondContact OG1-CB 3.4Å; T182-E184 WeakPolarHBondContact OG1-CG 3.34Å; T182-E184 PolarHBondContact OG1-N 3.13Å
183G92.3Very high94.5Very high46 Ų4679.8 Ų79.847%0.47441%0.406SS..  trans70.64.9-17400000114.1R179 H181 K185R179-G183 WeakPolarHBondContact O-CA 3.01Å; R179-G183 PolarHBondContact O-N 3.24Å; R179-G183 VanDerWaalsContact O-N 3.08Å; H181-G183 PolarHBondContact O-N 2.77Å; G183-K185 WeakPolarHBondContact O-CG 3.27Å; G183-K185 PolarHBondContact O-N 3.49Å
184E94.6Very high94.6Very high106 Ų10682.3 Ų82.350%0.49541%0.413SS..  trans-57.5130.4-178.1-81177.7-163.700112.4R179 T182 S197R179-E184 HydrophobicContact CB-CB 4.45Å; R179-E184 HydrophobicContact CG-CB 4.23Å; T182-E184 PolarHBondContact O-N 3.29Å; T182-E184 WeakPolarHBondContact OG1-CB 3.4Å; T182-E184 WeakPolarHBondContact OG1-CG 3.34Å; T182-E184 PolarHBondContact OG1-N 3.13Å; E184-S197 WeakPolarHBondContact O-CB 3.47Å
185K95.4Very high94.7Very high129 Ų12982.7 Ų82.756%0.56142%0.421SS*.  trans-129.274.9-179.8-72.9163.2175-1770111.1G183 Y187 A195 F196G183-K185 WeakPolarHBondContact O-CG 3.27Å; G183-K185 PolarHBondContact O-N 3.49Å; K185-Y187 PolarHBondContact O-N 3.24Å; K185-Y187 VanDerWaalsContact O-N 3.11Å; K185-A195 HydrophobicContact CB-CB 3.6Å; K185-A195 HydrophobicContact CD-CB 4.34Å; K185-A195 WeakPolarHBondContact CD-O 3.34Å; K185-F196 CarbonylContact C-O 3.31Å; K185-F196 VanDerWaalsContact C-O 3.26Å; K185-F196 VanDerWaalsContact CA-O 3.29Å; K185-F196 WeakPolarHBondContact CA-O 3.17Å
186P93.3Very high94.8Very high76 Ų7680.5 Ų80.549%0.49441%0.41SS..  trans-67.5-13.3-173.5-20.634000114.9
187Y96.3Very high94.8Very high72 Ų7279.1 Ų79.128%0.28241%0.408SS..EExtended strand (participates in β ladder)trans-106.593.8-174.4-54.5-78.8000110.2K185 A195 F196 N199K185-Y187 PolarHBondContact O-N 3.24Å; K185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-A195 CarbonylContact O-C 3.58Å; Y187-A195 WeakPolarHBondContact O-CA 3.45Å; Y187-F196 WeakPolarHBondContact CD2-O 3.4Å; Y187-F196 PolarHBondContact N-O 3.2Å; Y187-F196 VanDerWaalsContact N-O 3.11Å; Y187-F196 PolarHBondContact O-N 3.14Å; Y187-N199 HydrophobicContact CD1-CB 3.85Å; Y187-N199 VanDerWaalsContact CD2-N 3.33Å; Y187-N199 HydrophobicContact CE1-CB 3.67Å; Y187-N199 HydrophobicContact CE2-CB 4.35Å; Y187-N199 VanDerWaalsContact CE2-N 3.33Å; Y187-N199 HydrophobicContact CG-CB 4.29Å
188Q95.5Very high94.8Very high138 Ų13881 Ų8165%0.64542%0.417SS*.EExtended strand (participates in β ladder)trans-85.5141.3179.6-170173.1-2.600111.7A195Q188-A195 HydrophobicContact CB-CB 4.47Å
189C96.1Very high94.8Very high3 Ų380.6 Ų80.62%0.0242%0.419CS..  trans-76.3136.1167-170.20000109.9Q191 K194 L202 H205 H209C189-Q191 VanDerWaalsContact C-N 3.31Å; C189-Q191 PolarHBondContact SG-N 3.42Å; C189-K194 VanDerWaalsContact CB-O 3.29Å; C189-K194 WeakPolarHBondContact CB-O 3.46Å; C189-K194 PolarHBondContact N-O 2.76Å; C189-L202 HydrophobicContact CB-CD1 3.89Å; C189-H205 PolarHBondContact SG-NE2 3.16Å; C189-H209 PolarHBondContact SG-NE2 3.36Å; C189-H209 VanDerWaalsContact SG-NE2 3.36Å
190N94Very high94.6Very high127 Ų12780.9 Ų80.968%0.67943%0.428SS*.SBendtrans-85.3-417764.4-38.4000113.4
191Q93Very high94.6Very high114 Ų11477.3 Ų77.353%0.53341%0.414SS..SBendtrans-113.6-6-178.4-67176.5-8.100113.1C189 H209C189-Q191 VanDerWaalsContact C-N 3.31Å; C189-Q191 PolarHBondContact SG-N 3.42Å; Q191-H209 PolarHBondContact OE1-CD2 2.99Å
192C95.5Very high94.6Very high37 Ų3774.5 Ų74.525%0.2540%0.401CS..SBendtrans-161.2170.6171.268.80000111K194 H205 H209C192-K194 PolarHBondContact O-N 3.17Å; C192-H205 PolarHBondContact SG-NE2 3.22Å; C192-H209 PolarHBondContact SG-NE2 3.49Å
193D94.4Very high94.6Very high159 Ų15974.8 Ų74.885%0.8540%0.397SS*.SBendtrans-73.910.5-176-50.7-48000114.6
194K96.7Very high94.6Very high125 Ų12577 Ų7754%0.54339%0.392SS..  trans-81128.6-179.4-67.6179.5-174.5-71.10110.7C189 C192 F196C189-K194 VanDerWaalsContact CB-O 3.29Å; C189-K194 WeakPolarHBondContact CB-O 3.46Å; C189-K194 PolarHBondContact N-O 2.76Å; C192-K194 PolarHBondContact O-N 3.17Å; K194-F196 HydrophobicContact CB-CE2 3.92Å; K194-F196 HydrophobicContact CB-CZ 3.96Å
195A96Very high94.7Very high30 Ų3072.9 Ų72.925%0.24837%0.372CS..EExtended strand (participates in β ladder)trans-118.8151.2170.900000111.7K185 Y187 Q188K185-A195 HydrophobicContact CB-CB 3.6Å; K185-A195 HydrophobicContact CD-CB 4.34Å; K185-A195 WeakPolarHBondContact CD-O 3.34Å; Y187-A195 CarbonylContact O-C 3.58Å; Y187-A195 WeakPolarHBondContact O-CA 3.45Å; Q188-A195 HydrophobicContact CB-CB 4.47Å
196F96.2Very high94.6Very high41 Ų4170 Ų7018%0.1836%0.36CS..EExtended strand (participates in β ladder)trans-127.1147.5-174-56.9-91.6000111.2K185 Y187 K194 Q198 L202 H205K185-F196 CarbonylContact C-O 3.31Å; K185-F196 VanDerWaalsContact C-O 3.26Å; K185-F196 VanDerWaalsContact CA-O 3.29Å; K185-F196 WeakPolarHBondContact CA-O 3.17Å; Y187-F196 WeakPolarHBondContact CD2-O 3.4Å; Y187-F196 PolarHBondContact N-O 3.2Å; Y187-F196 VanDerWaalsContact N-O 3.11Å; Y187-F196 PolarHBondContact O-N 3.14Å; K194-F196 HydrophobicContact CB-CE2 3.92Å; K194-F196 HydrophobicContact CB-CZ 3.96Å; F196-Q198 PolarHBondContact O-N 2.98Å; F196-L202 HydrophobicContact CB-CB 4.38Å; F196-L202 HydrophobicContact CD2-CB 3.83Å; F196-L202 HydrophobicContact CD2-CD1 3.82Å; F196-L202 HydrophobicContact CD2-CG 4.43Å; F196-L202 HydrophobicContact CE2-CD1 3.94Å; F196-L202 HydrophobicContact CG-CB 4.27Å; F196-H205 HydrophobicContact CE1-CB 3.9Å; F196-H205 HydrophobicContact CE2-CB 3.77Å; F196-H205 AromaticContact CE2-CD2 3.23Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.34Å; F196-H205 AromaticContact CE2-CG 3.59Å; F196-H205 HydrophobicContact CZ-CB 3.31Å; F196-H205 AromaticContact CZ-CD2 3.35Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.45Å; F196-H205 AromaticContact CZ-CG 3.21Å; F196-H205 AromaticContact CZ-ND1 3.94Å
197S95.2Very high94.6Very high35 Ų3568.7 Ų68.725%0.24535%0.345CS..SBendtrans-76.5-12.5175.458.80000113.2R179 E184R179-S197 WeakPolarHBondContact CD-O 3.34Å; R179-S197 PolarHBondContact NH1-O 3.01Å; E184-S197 WeakPolarHBondContact O-CB 3.47Å
198Q93.7Very high94.5Very high55 Ų5569.9 Ų69.926%0.25736%0.36SS..SBendtrans-137.5139.9-177.3-50.7-177.223.100111.4F196 C200 S201 L202F196-Q198 PolarHBondContact O-N 2.98Å; Q198-C200 PolarHBondContact O-N 3.23Å; Q198-S201 WeakPolarHBondContact O-CB 3.35Å; Q198-S201 PolarHBondContact O-N 3.05Å; Q198-L202 PolarHBondContact O-N 3.4Å
199N94.5Very high94.4Very high75 Ų7566.8 Ų66.840%0.40135%0.345SS..Hα-helixtrans-61.9-42.2178.8-176.634.9000112.3Y187 S201 L202 Q203Y187-N199 HydrophobicContact CD1-CB 3.85Å; Y187-N199 VanDerWaalsContact CD2-N 3.33Å; Y187-N199 HydrophobicContact CE1-CB 3.67Å; Y187-N199 HydrophobicContact CE2-CB 4.35Å; Y187-N199 VanDerWaalsContact CE2-N 3.33Å; Y187-N199 HydrophobicContact CG-CB 4.29Å; N199-S201 VanDerWaalsContact C-N 3.26Å; N199-S201 PolarHBondContact O-N 3.1Å; N199-L202 WeakPolarHBondContact O-CA 3.47Å; N199-L202 WeakPolarHBondContact O-CB 3.35Å; N199-L202 PolarHBondContact O-N 3.46Å; N199-Q203 WeakPolarHBondContact O-CG 3.45Å; N199-Q203 PolarHBondContact O-N 2.87Å; N199-Q203 PolarHBondContact OD1-NE2 3.4Å; N199-Q203 VanDerWaalsContact OD1-NE2 3.13Å
200C91.5Very high94.3Very high60 Ų6070.3 Ų70.341%0.40537%0.367SS..Hα-helixtrans-58.3-39.517954.80000112.2Q198 L202 Q203 Y204Q198-C200 PolarHBondContact O-N 3.23Å; C200-L202 VanDerWaalsContact C-N 3.35Å; C200-L202 PolarHBondContact O-N 3.49Å; C200-Q203 PolarHBondContact O-N 2.81Å; C200-Y204 HydrophobicContact CB-CE2 4.46Å; C200-Y204 WeakPolarHBondContact O-CD2 3.41Å; C200-Y204 PolarHBondContact O-N 3.46Å
201S95Very high94.2Very high43 Ų4366.5 Ų66.530%0.30136%0.358SS..Hα-helixtrans-63-40.6175.2-54.50000112.1Q198 N199 Y204 H205Q198-S201 WeakPolarHBondContact O-CB 3.35Å; Q198-S201 PolarHBondContact O-N 3.05Å; N199-S201 VanDerWaalsContact C-N 3.26Å; N199-S201 PolarHBondContact O-N 3.1Å; S201-Y204 PolarHBondContact O-N 3.2Å; S201-H205 WeakPolarHBondContact O-CB 3.4Å; S201-H205 PolarHBondContact O-N 3.36Å
202L94.9Very high94.3Very high11 Ų1166.2 Ų66.26%0.05836%0.356CS..Hα-helixtrans-62.1-45.3172.417362.9000111.4C189 F196 Q198 N199 C200 Y204 H205 K206C189-L202 HydrophobicContact CB-CD1 3.89Å; F196-L202 HydrophobicContact CB-CB 4.38Å; F196-L202 HydrophobicContact CD2-CB 3.83Å; F196-L202 HydrophobicContact CD2-CD1 3.82Å; F196-L202 HydrophobicContact CD2-CG 4.43Å; F196-L202 HydrophobicContact CE2-CD1 3.94Å; F196-L202 HydrophobicContact CG-CB 4.27Å; Q198-L202 PolarHBondContact O-N 3.4Å; N199-L202 WeakPolarHBondContact O-CA 3.47Å; N199-L202 WeakPolarHBondContact O-CB 3.35Å; N199-L202 PolarHBondContact O-N 3.46Å; C200-L202 VanDerWaalsContact C-N 3.35Å; C200-L202 PolarHBondContact O-N 3.49Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 3.36Å; L202-H205 CarbonylContact O-C 3.54Å; L202-H205 WeakPolarHBondContact O-CB 3.31Å; L202-H205 PolarHBondContact O-N 2.79Å; L202-H205 VanDerWaalsContact O-N 3.1Å; L202-K206 HydrophobicContact CD1-CG 4.33Å; L202-K206 WeakPolarHBondContact O-CG 3.46Å; L202-K206 PolarHBondContact O-N 2.91Å
203Q92.8Very high94.2Very high89 Ų8970.4 Ų70.442%0.41637%0.37SS..Hα-helixtrans-59.7-42.9178.5-62.4-53.4-38.500112N199 C200 K206N199-Q203 WeakPolarHBondContact O-CG 3.45Å; N199-Q203 PolarHBondContact O-N 2.87Å; N199-Q203 PolarHBondContact OD1-NE2 3.4Å; N199-Q203 VanDerWaalsContact OD1-NE2 3.13Å; C200-Q203 PolarHBondContact O-N 2.81Å; Q203-K206 PolarHBondContact O-N 3.24Å
204Y93.1Very high94.2Very high93 Ų9366.2 Ų66.237%0.36535%0.352SS..Hα-helixtrans-65.1-39.9173.7-73.4-56.7000112.6C200 S201 L202 K206 R207 F226C200-Y204 HydrophobicContact CB-CE2 4.46Å; C200-Y204 WeakPolarHBondContact O-CD2 3.41Å; C200-Y204 PolarHBondContact O-N 3.46Å; S201-Y204 PolarHBondContact O-N 3.2Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 3.36Å; Y204-K206 VanDerWaalsContact C-N 3.33Å; Y204-K206 PolarHBondContact O-N 3.47Å; Y204-R207 VanDerWaalsContact O-CB 3.31Å; Y204-R207 WeakPolarHBondContact O-CB 3.32Å; Y204-R207 PolarHBondContact O-N 3.36Å; Y204-F226 AromaticContact CD1-CD1 3.82Å; Y204-F226 HydrophobicContact CD1-CD1 3.82Å; Y204-F226 AromaticContact CD1-CE1 3.74Å; Y204-F226 HydrophobicContact CD1-CE1 3.74Å; Y204-F226 HydrophobicContact CD2-CE1 4.5Å; Y204-F226 HydrophobicContact CE1-CD1 4.25Å; Y204-F226 HydrophobicContact CG-CD1 4.2Å; Y204-F226 AromaticContact CG-CE1 3.72Å; Y204-F226 HydrophobicContact CG-CE1 3.72Å
205H94.9Very high94.2Very high18 Ų1863 Ų638%0.08334%0.337CS..Hα-helixtrans-63.5-38.2176.6167.154.9000112.2C189 C192 F196 S201 L202 R207 T208 H209C189-H205 PolarHBondContact SG-NE2 3.16Å; C192-H205 PolarHBondContact SG-NE2 3.22Å; F196-H205 HydrophobicContact CE1-CB 3.9Å; F196-H205 HydrophobicContact CE2-CB 3.77Å; F196-H205 AromaticContact CE2-CD2 3.23Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.34Å; F196-H205 AromaticContact CE2-CG 3.59Å; F196-H205 HydrophobicContact CZ-CB 3.31Å; F196-H205 AromaticContact CZ-CD2 3.35Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.45Å; F196-H205 AromaticContact CZ-CG 3.21Å; F196-H205 AromaticContact CZ-ND1 3.94Å; S201-H205 WeakPolarHBondContact O-CB 3.4Å; S201-H205 PolarHBondContact O-N 3.36Å; L202-H205 CarbonylContact O-C 3.54Å; L202-H205 WeakPolarHBondContact O-CB 3.31Å; L202-H205 PolarHBondContact O-N 2.79Å; L202-H205 VanDerWaalsContact O-N 3.1Å; H205-R207 PolarHBondContact O-N 3.13Å; H205-T208 PolarHBondContact CE1-OG1 3.28Å; H205-T208 PolarHBondContact ND1-OG1 3.28Å; H205-T208 WeakPolarHBondContact O-CB 3.47Å; H205-T208 PolarHBondContact O-N 3.14Å; H205-T208 PolarHBondContact O-OG1 3.37Å; H205-H209 AromaticContact CE1-NE2 3.36Å; H205-H209 PolarHBondContact CE1-NE2 3.48Å; H205-H209 AromaticContact NE2-CD2 3.93Å; H205-H209 AromaticContact NE2-NE2 3.2Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å
206K93.4Very high94.2Very high70 Ų7067 Ų6730%0.30435%0.35SS..Hα-helixtrans-54.9-29.8176.6-74.5-176.6173.1-167.20112.9L202 Q203 Y204 T208 H209 T210L202-K206 HydrophobicContact CD1-CG 4.33Å; L202-K206 WeakPolarHBondContact O-CG 3.46Å; L202-K206 PolarHBondContact O-N 2.91Å; Q203-K206 PolarHBondContact O-N 3.24Å; Y204-K206 VanDerWaalsContact C-N 3.33Å; Y204-K206 PolarHBondContact O-N 3.47Å; K206-T208 PolarHBondContact O-N 3.4Å; K206-H209 PolarHBondContact O-N 3.3Å; K206-T210 PolarHBondContact O-N 3Å; K206-T210 VanDerWaalsContact O-N 3.14Å
207R94.3Very high94.3Very high48 Ų4865 Ų6518%0.18134%0.342CS..Hα-helixtrans-62.4-21.8173.7-57.1179.6179.3173.5-2113.8Y204 H205 H209 T210 G211 E212 A225Y204-R207 VanDerWaalsContact O-CB 3.31Å; Y204-R207 WeakPolarHBondContact O-CB 3.32Å; Y204-R207 PolarHBondContact O-N 3.36Å; H205-R207 PolarHBondContact O-N 3.13Å; R207-H209 VanDerWaalsContact C-N 3.27Å; R207-T210 WeakPolarHBondContact CA-OG1 3.47Å; R207-G211 VanDerWaalsContact O-CA 3.32Å; R207-G211 WeakPolarHBondContact O-CA 3.46Å; R207-G211 PolarHBondContact O-N 3.17Å; R207-E212 HydrophobicContact CB-CB 4.43Å; R207-E212 HydrophobicContact CG-CB 4.31Å; R207-A225 PolarHBondContact NH1-O 3.1Å
208T93.7Very high94.2Very high96 Ų9670.8 Ų70.859%0.58937%0.37SS*.Hα-helixtrans-72.8-23.4174.468.50000112.5H205 K206H205-T208 PolarHBondContact CE1-OG1 3.28Å; H205-T208 PolarHBondContact ND1-OG1 3.28Å; H205-T208 WeakPolarHBondContact O-CB 3.47Å; H205-T208 PolarHBondContact O-N 3.14Å; H205-T208 PolarHBondContact O-OG1 3.37Å; K206-T208 PolarHBondContact O-N 3.4Å
209H94.6Very high94.2Very high74 Ų7474.4 Ų74.434%0.34339%0.387SS..Hα-helixtrans-88.7-42.6174.9-61.1-67.5000111.9C189 Q191 C192 H205 K206 R207 G211C189-H209 PolarHBondContact SG-NE2 3.36Å; C189-H209 VanDerWaalsContact SG-NE2 3.36Å; Q191-H209 PolarHBondContact OE1-CD2 2.99Å; C192-H209 PolarHBondContact SG-NE2 3.49Å; H205-H209 AromaticContact CE1-NE2 3.36Å; H205-H209 PolarHBondContact CE1-NE2 3.48Å; H205-H209 AromaticContact NE2-CD2 3.93Å; H205-H209 AromaticContact NE2-NE2 3.2Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å; K206-H209 PolarHBondContact O-N 3.3Å; R207-H209 VanDerWaalsContact C-N 3.27Å; H209-G211 VanDerWaalsContact C-N 3.32Å
210T92.9Very high94.3Very high76 Ų7673.4 Ų73.447%0.46639%0.385SS..Hα-helixtrans-77.6-19.8179.762.70000113K206 R207 E212K206-T210 PolarHBondContact O-N 3Å; K206-T210 VanDerWaalsContact O-N 3.14Å; R207-T210 WeakPolarHBondContact CA-OG1 3.47Å; T210-E212 PolarHBondContact O-N 2.73Å; T210-E212 WeakPolarHBondContact OG1-CB 3.36Å; T210-E212 WeakPolarHBondContact OG1-CG 3.48Å; T210-E212 PolarHBondContact OG1-N 2.91Å
211G92.1Very high94.4Very high48 Ų4872.6 Ų72.650%0.49539%0.386SS..  trans73.15.6-173.500000113.8R207 H209 K213R207-G211 VanDerWaalsContact O-CA 3.32Å; R207-G211 WeakPolarHBondContact O-CA 3.46Å; R207-G211 PolarHBondContact O-N 3.17Å; H209-G211 VanDerWaalsContact C-N 3.32Å; G211-K213 PolarHBondContact O-N 3.46Å
212E94.3Very high94.5Very high107 Ų10776.6 Ų76.650%0.540%0.398SS..  trans-56.9132.2-177.9-82.7175.3-153.200112.5R207 T210R207-E212 HydrophobicContact CB-CB 4.43Å; R207-E212 HydrophobicContact CG-CB 4.31Å; T210-E212 PolarHBondContact O-N 2.73Å; T210-E212 WeakPolarHBondContact OG1-CB 3.36Å; T210-E212 WeakPolarHBondContact OG1-CG 3.48Å; T210-E212 PolarHBondContact OG1-N 2.91Å
213K95.2Very high94.6Very high125 Ų12577.8 Ų77.854%0.54341%0.41SS..  trans-131.375.9178.4-71.1167.3-178.1177.60110.2G211 Y215 A223 F224G211-K213 PolarHBondContact O-N 3.46Å; K213-Y215 PolarHBondContact O-N 3.13Å; K213-Y215 VanDerWaalsContact O-N 3.13Å; K213-A223 HydrophobicContact CB-CB 3.58Å; K213-A223 HydrophobicContact CD-CB 4.38Å; K213-A223 WeakPolarHBondContact CD-O 3.47Å; K213-A223 WeakPolarHBondContact O-CB 3.37Å; K213-F224 CarbonylContact C-O 3.49Å; K213-F224 VanDerWaalsContact C-O 3.27Å; K213-F224 VanDerWaalsContact CA-O 3.31Å; K213-F224 WeakPolarHBondContact CA-O 3.35Å
214P93.4Very high94.7Very high72 Ų7275.7 Ų75.747%0.46840%0.399SS..  trans-68.6-13.6-172.1-20.934.2000114.7
215Y96.2Very high94.7Very high58 Ų5872.4 Ų72.423%0.22739%0.392CS..EExtended strand (participates in β ladder)trans-104.294.5-173-54.5-72.6000110.6K213 A223 F224 A225 Q227K213-Y215 PolarHBondContact O-N 3.13Å; K213-Y215 VanDerWaalsContact O-N 3.13Å; Y215-A223 CarbonylContact O-C 3.6Å; Y215-A223 WeakPolarHBondContact O-CA 3.49Å; Y215-F224 WeakPolarHBondContact CD2-O 3.29Å; Y215-F224 PolarHBondContact N-O 3.05Å; Y215-F224 VanDerWaalsContact N-O 3.13Å; Y215-F224 PolarHBondContact O-N 3.3Å; Y215-A225 WeakPolarHBondContact CE2-O 3.31Å; Y215-Q227 HydrophobicContact CD1-CB 4.07Å; Y215-Q227 HydrophobicContact CD2-CB 4.46Å; Y215-Q227 VanDerWaalsContact CD2-N 3.3Å; Y215-Q227 HydrophobicContact CE1-CB 3.86Å; Y215-Q227 HydrophobicContact CE2-CB 4.24Å; Y215-Q227 VanDerWaalsContact CE2-N 3.31Å; Y215-Q227 HydrophobicContact CG-CB 4.36Å
216E96.9Very high94.6Very high112 Ų11275.4 Ų75.452%0.52340%0.404SS..EExtended strand (participates in β ladder)trans-90.4143.7-179.6-164.7176.816000113G221 A223 L230E216-G221 WeakPolarHBondContact OE1-CA 3.38Å; E216-A223 HydrophobicContact CB-CB 4.49Å; E216-A223 HydrophobicContact CG-CB 4.48Å; E216-L230 WeakPolarHBondContact O-CD2 3.41Å
217C96.9Very high94.6Very high1 Ų175.9 Ų75.91%0.00741%0.408CS..  trans-89.4108.4170.6-176.40000110.9Q219 C220 G221 K222 L230C217-Q219 PolarHBondContact O-N 3.46Å; C217-C220 PolarHBondContact O-N 2.97Å; C217-C220 VanDerWaalsContact O-N 3.12Å; C217-G221 WeakPolarHBondContact O-CA 3.48Å; C217-G221 PolarHBondContact O-N 3.24Å; C217-K222 WeakPolarHBondContact CB-O 3.04Å; C217-K222 PolarHBondContact N-O 2.87Å; C217-L230 HydrophobicContact CB-CD1 3.61Å
218N94.9Very high94.5Very high156 Ų15677.7 Ų77.783%0.83443%0.428SS*.THydrogen-bonded Turntrans-58.3-18.7179.6-57.11.4000114.7
219Q93.7Very high94.6Very high130 Ų13075.1 Ų75.161%0.60741%0.414SS*.THydrogen-bonded Turntrans-87.3-22.2-180-72.4175.7-18.700113.9C217 H237C217-Q219 PolarHBondContact O-N 3.46Å; Q219-H237 PolarHBondContact OE1-CD2 3.42Å
220C95.7Very high94.6Very high55 Ų5572 Ų7237%0.37240%0.4SS..THydrogen-bonded Turntrans-143.37.7-178.972.20000115.6C217 K222 H233 H237C217-C220 PolarHBondContact O-N 2.97Å; C217-C220 VanDerWaalsContact O-N 3.12Å; C220-K222 PolarHBondContact O-N 2.95Å; C220-K222 VanDerWaalsContact O-N 3.11Å; C220-H233 PolarHBondContact SG-NE2 3.17Å; C220-H237 PolarHBondContact SG-NE2 2.85Å; C220-H237 VanDerWaalsContact SG-NE2 3.45Å
221G94.7Very high94.7Very high42 Ų4272.5 Ų72.543%0.43340%0.397SS..  trans68.53.7-179.600000114.9E216 C217 A223E216-G221 WeakPolarHBondContact OE1-CA 3.38Å; C217-G221 WeakPolarHBondContact O-CA 3.48Å; C217-G221 PolarHBondContact O-N 3.24Å; G221-A223 PolarHBondContact O-N 3.49Å
222K96.6Very high94.8Very high127 Ų12774.3 Ų74.355%0.55239%0.389SS*.  trans-73.6123.4-179.4-75.2-177.6180172.10110.9C217 C220 F224C217-K222 WeakPolarHBondContact CB-O 3.04Å; C217-K222 PolarHBondContact N-O 2.87Å; C220-K222 PolarHBondContact O-N 2.95Å; C220-K222 VanDerWaalsContact O-N 3.11Å; K222-F224 HydrophobicContact CB-CE2 4.02Å; K222-F224 HydrophobicContact CB-CZ 4.09Å; K222-F224 VanDerWaalsContact O-CE2 3.27Å; K222-F224 WeakPolarHBondContact O-CE2 3.45Å
223A96.4Very high94.8Very high36 Ų3669.8 Ų69.830%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-99.2146.7178.800000113.2K213 Y215 E216 G221K213-A223 HydrophobicContact CB-CB 3.58Å; K213-A223 HydrophobicContact CD-CB 4.38Å; K213-A223 WeakPolarHBondContact CD-O 3.47Å; K213-A223 WeakPolarHBondContact O-CB 3.37Å; Y215-A223 CarbonylContact O-C 3.6Å; Y215-A223 WeakPolarHBondContact O-CA 3.49Å; E216-A223 HydrophobicContact CB-CB 4.49Å; E216-A223 HydrophobicContact CG-CB 4.48Å; G221-A223 PolarHBondContact O-N 3.49Å
224F95.1Very high94.8Very high45 Ų4567.7 Ų67.720%0.19736%0.359CS..EExtended strand (participates in β ladder)trans-129.7148.2-178.2-58.3-88.1000111.9K213 Y215 K222 F226 L230 H233K213-F224 CarbonylContact C-O 3.49Å; K213-F224 VanDerWaalsContact C-O 3.27Å; K213-F224 VanDerWaalsContact CA-O 3.31Å; K213-F224 WeakPolarHBondContact CA-O 3.35Å; Y215-F224 WeakPolarHBondContact CD2-O 3.29Å; Y215-F224 PolarHBondContact N-O 3.05Å; Y215-F224 VanDerWaalsContact N-O 3.13Å; Y215-F224 PolarHBondContact O-N 3.3Å; K222-F224 HydrophobicContact CB-CE2 4.02Å; K222-F224 HydrophobicContact CB-CZ 4.09Å; K222-F224 VanDerWaalsContact O-CE2 3.27Å; K222-F224 WeakPolarHBondContact O-CE2 3.45Å; F224-F226 VanDerWaalsContact C-N 3.29Å; F224-F226 PolarHBondContact O-N 3.01Å; F224-L230 HydrophobicContact CB-CB 4.42Å; F224-L230 HydrophobicContact CD2-CB 3.84Å; F224-L230 HydrophobicContact CD2-CD1 3.86Å; F224-L230 HydrophobicContact CD2-CG 4.46Å; F224-L230 HydrophobicContact CE2-CD1 3.99Å; F224-L230 HydrophobicContact CG-CB 4.34Å; F224-H233 HydrophobicContact CE1-CB 4Å; F224-H233 HydrophobicContact CE2-CB 3.69Å; F224-H233 AromaticContact CE2-CD2 3.39Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.37Å; F224-H233 AromaticContact CE2-CG 3.5Å; F224-H233 VanDerWaalsContact CE2-CG 3.5Å; F224-H233 HydrophobicContact CZ-CB 3.36Å; F224-H233 AromaticContact CZ-CD2 3.55Å; F224-H233 AromaticContact CZ-CG 3.18Å; F224-H233 AromaticContact CZ-ND1 3.61Å
225A93.6Very high94.9Very high24 Ų2467 Ų6720%0.19835%0.347CS..SBendtrans-74.2-19.7175.300000113.1R207 Y215R207-A225 PolarHBondContact NH1-O 3.1Å; Y215-A225 WeakPolarHBondContact CE2-O 3.31Å
226F92.9Very high94.8Very high81 Ų8171.3 Ų71.336%0.35537%0.367SS..SBendtrans-130.1140.2-177-56-85.4000111.9Y204 F224 S228 S229 L230Y204-F226 AromaticContact CD1-CD1 3.82Å; Y204-F226 HydrophobicContact CD1-CD1 3.82Å; Y204-F226 AromaticContact CD1-CE1 3.74Å; Y204-F226 HydrophobicContact CD1-CE1 3.74Å; Y204-F226 HydrophobicContact CD2-CE1 4.5Å; Y204-F226 HydrophobicContact CE1-CD1 4.25Å; Y204-F226 HydrophobicContact CG-CD1 4.2Å; Y204-F226 AromaticContact CG-CE1 3.72Å; Y204-F226 HydrophobicContact CG-CE1 3.72Å; F224-F226 VanDerWaalsContact C-N 3.29Å; F224-F226 PolarHBondContact O-N 3.01Å; F226-S228 VanDerWaalsContact C-N 3.31Å; F226-S228 PolarHBondContact O-N 2.78Å; F226-S229 WeakPolarHBondContact O-CB 3.23Å; F226-S229 PolarHBondContact O-N 3.16Å; F226-S229 VanDerWaalsContact O-N 3.15Å; F226-L230 PolarHBondContact O-N 3.46Å
227Q93.8Very high94.7Very high81 Ų8169.7 Ų69.738%0.37936%0.359SS..Hα-helixtrans-61.4-39.7177.1-179.863.4-2.200111.9Y215 S229 L230 Q231Y215-Q227 HydrophobicContact CD1-CB 4.07Å; Y215-Q227 HydrophobicContact CD2-CB 4.46Å; Y215-Q227 VanDerWaalsContact CD2-N 3.3Å; Y215-Q227 HydrophobicContact CE1-CB 3.86Å; Y215-Q227 HydrophobicContact CE2-CB 4.24Å; Y215-Q227 VanDerWaalsContact CE2-N 3.31Å; Y215-Q227 HydrophobicContact CG-CB 4.36Å; Q227-S229 VanDerWaalsContact C-N 3.26Å; Q227-S229 PolarHBondContact O-N 3.01Å; Q227-L230 PolarHBondContact O-N 3.02Å; Q227-Q231 HydrophobicContact CG-CG 4.43Å; Q227-Q231 WeakPolarHBondContact O-CG 3.39Å; Q227-Q231 PolarHBondContact O-N 3.35Å
228S92Very high94.5Very high86 Ų8673.5 Ų73.560%0.60138%0.382SS*.Hα-helixtrans-61-35.5177.153.90000112.5F226 Q231 Y232F226-S228 VanDerWaalsContact C-N 3.31Å; F226-S228 PolarHBondContact O-N 2.78Å; S228-Q231 PolarHBondContact O-N 3.23Å; S228-Y232 WeakPolarHBondContact O-CB 3.1Å; S228-Y232 PolarHBondContact O-N 3.49Å
229S94.7Very high94.5Very high42 Ų4268.4 Ų68.429%0.29437%0.367SS..Hα-helixtrans-67.7-40.8175.2-56.30000112F226 Q227 H233F226-S229 WeakPolarHBondContact O-CB 3.23Å; F226-S229 PolarHBondContact O-N 3.16Å; F226-S229 VanDerWaalsContact O-N 3.15Å; Q227-S229 VanDerWaalsContact C-N 3.26Å; Q227-S229 PolarHBondContact O-N 3.01Å; S229-H233 VanDerWaalsContact O-CB 3.27Å; S229-H233 WeakPolarHBondContact O-CB 3.44Å; S229-H233 PolarHBondContact O-N 3.3Å
230L95.5Very high94.5Very high8 Ų867.3 Ų67.34%0.04236%0.362CS..Hα-helixtrans-62.6-47173.1172.961.6000111.2E216 C217 F224 F226 Q227 Y232 H233 K234E216-L230 WeakPolarHBondContact O-CD2 3.41Å; C217-L230 HydrophobicContact CB-CD1 3.61Å; F224-L230 HydrophobicContact CB-CB 4.42Å; F224-L230 HydrophobicContact CD2-CB 3.84Å; F224-L230 HydrophobicContact CD2-CD1 3.86Å; F224-L230 HydrophobicContact CD2-CG 4.46Å; F224-L230 HydrophobicContact CE2-CD1 3.99Å; F224-L230 HydrophobicContact CG-CB 4.34Å; F226-L230 PolarHBondContact O-N 3.46Å; Q227-L230 PolarHBondContact O-N 3.02Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; L230-Y232 PolarHBondContact O-N 3Å; L230-H233 WeakPolarHBondContact O-CA 3.47Å; L230-H233 WeakPolarHBondContact O-CB 3.49Å; L230-H233 PolarHBondContact O-N 2.8Å; L230-K234 HydrophobicContact CD1-CG 4.31Å; L230-K234 WeakPolarHBondContact O-CG 3.4Å; L230-K234 PolarHBondContact O-N 3.02Å
231Q94.1Very high94.5Very high86 Ų8670.8 Ų70.840%0.40237%0.37SS..Hα-helixtrans-59.6-44.1179.1-68.3-60.4-2200111.9Q227 S228 H233 K234Q227-Q231 HydrophobicContact CG-CG 4.43Å; Q227-Q231 WeakPolarHBondContact O-CG 3.39Å; Q227-Q231 PolarHBondContact O-N 3.35Å; S228-Q231 PolarHBondContact O-N 3.23Å; Q231-H233 VanDerWaalsContact C-N 3.34Å; Q231-K234 PolarHBondContact O-N 3.3Å
232Y93.5Very high94.5Very high87 Ų8772.2 Ų72.234%0.34137%0.372SS..Hα-helixtrans-62.2-42.4172.3166.7-112.7000112.1S228 L230 K234 R235 A253 H254S228-Y232 WeakPolarHBondContact O-CB 3.1Å; S228-Y232 PolarHBondContact O-N 3.49Å; L230-Y232 VanDerWaalsContact C-N 3.33Å; L230-Y232 PolarHBondContact O-N 3Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 2.82Å; Y232-R235 VanDerWaalsContact O-CB 3.31Å; Y232-R235 WeakPolarHBondContact O-CB 3.49Å; Y232-R235 PolarHBondContact O-N 2.86Å; Y232-A253 HydrophobicContact CE2-CB 4.01Å; Y232-H254 HydrophobicContact CD2-CB 4.28Å; Y232-H254 HydrophobicContact CE2-CB 3.67Å
233H95.2Very high94.5Very high12 Ų1269.6 Ų69.66%0.05636%0.359CS..Hα-helixtrans-61.4-40179.2168.869.6000112.6C220 F224 S229 L230 Q231 R235 K236 H237C220-H233 PolarHBondContact SG-NE2 3.17Å; F224-H233 HydrophobicContact CE1-CB 4Å; F224-H233 HydrophobicContact CE2-CB 3.69Å; F224-H233 AromaticContact CE2-CD2 3.39Å; F224-H233 WeakPolarHBondContact CE2-CD2 3.37Å; F224-H233 AromaticContact CE2-CG 3.5Å; F224-H233 VanDerWaalsContact CE2-CG 3.5Å; F224-H233 HydrophobicContact CZ-CB 3.36Å; F224-H233 AromaticContact CZ-CD2 3.55Å; F224-H233 AromaticContact CZ-CG 3.18Å; F224-H233 AromaticContact CZ-ND1 3.61Å; S229-H233 VanDerWaalsContact O-CB 3.27Å; S229-H233 WeakPolarHBondContact O-CB 3.44Å; S229-H233 PolarHBondContact O-N 3.3Å; L230-H233 WeakPolarHBondContact O-CA 3.47Å; L230-H233 WeakPolarHBondContact O-CB 3.49Å; L230-H233 PolarHBondContact O-N 2.8Å; Q231-H233 VanDerWaalsContact C-N 3.34Å; H233-R235 PolarHBondContact O-N 2.77Å; H233-R235 VanDerWaalsContact O-N 3.12Å; H233-K236 VanDerWaalsContact O-CB 3.28Å; H233-K236 WeakPolarHBondContact O-CB 3.45Å; H233-K236 PolarHBondContact O-N 3.1Å; H233-H237 AromaticContact CE1-NE2 3.74Å; H233-H237 AromaticContact NE2-NE2 3.31Å; H233-H237 PolarHBondContact NE2-NE2 3.15Å
234K95.2Very high94.5Very high80 Ų8073.3 Ų73.335%0.34837%0.371SS..Hα-helixtrans-54.9-30.3176.5-73.6-177.4176.1-170.70112.9L230 Q231 Y232 K236 H237 T238L230-K234 HydrophobicContact CD1-CG 4.31Å; L230-K234 WeakPolarHBondContact O-CG 3.4Å; L230-K234 PolarHBondContact O-N 3.02Å; Q231-K234 PolarHBondContact O-N 3.3Å; Y232-K234 VanDerWaalsContact C-N 3.33Å; Y232-K234 PolarHBondContact O-N 2.82Å; K234-K236 PolarHBondContact O-N 3.31Å; K234-K236 VanDerWaalsContact O-N 3.14Å; K234-H237 WeakPolarHBondContact O-CB 3.41Å; K234-H237 PolarHBondContact O-N 3.44Å; K234-T238 PolarHBondContact O-N 2.85Å; K234-T238 VanDerWaalsContact O-N 3.13Å
235R95.6Very high94.6Very high57 Ų5771.2 Ų71.222%0.21536%0.362CS..Hα-helixtrans-61.9-20.4174.8-59.1-179.2-179.8162.40.6113.9Y232 H233 H237 T238 G239 E240 A253Y232-R235 VanDerWaalsContact O-CB 3.31Å; Y232-R235 WeakPolarHBondContact O-CB 3.49Å; Y232-R235 PolarHBondContact O-N 2.86Å; H233-R235 PolarHBondContact O-N 2.77Å; H233-R235 VanDerWaalsContact O-N 3.12Å; R235-H237 VanDerWaalsContact C-N 3.29Å; R235-T238 WeakPolarHBondContact CA-OG1 3.29Å; R235-G239 WeakPolarHBondContact O-CA 3.36Å; R235-G239 PolarHBondContact O-N 3.46Å; R235-E240 HydrophobicContact CB-CB 4.43Å; R235-E240 HydrophobicContact CG-CB 4.29Å; R235-A253 HydrophobicContact CB-CB 4.29Å; R235-A253 WeakPolarHBondContact CD-O 3.39Å; R235-A253 PolarHBondContact NH1-O 3.28Å
236K93.7Very high94.6Very high149 Ų14977.4 Ų77.465%0.64839%0.391SS*.Hα-helixtrans-69.2-29.8172-68.1-170.2172.5-173.30112.5H233 K234H233-K236 VanDerWaalsContact O-CB 3.28Å; H233-K236 WeakPolarHBondContact O-CB 3.45Å; H233-K236 PolarHBondContact O-N 3.1Å; K234-K236 PolarHBondContact O-N 3.31Å; K234-K236 VanDerWaalsContact O-N 3.14Å
237H95.2Very high94.6Very high79 Ų7979.9 Ų79.937%0.36640%0.404SS..Hα-helixtrans-85.7-42.3178.5-60.4-64.5000111.5Q219 C220 H233 K234 R235 G239Q219-H237 PolarHBondContact OE1-CD2 3.42Å; C220-H237 PolarHBondContact SG-NE2 2.85Å; C220-H237 VanDerWaalsContact SG-NE2 3.45Å; H233-H237 AromaticContact CE1-NE2 3.74Å; H233-H237 AromaticContact NE2-NE2 3.31Å; H233-H237 PolarHBondContact NE2-NE2 3.15Å; K234-H237 WeakPolarHBondContact O-CB 3.41Å; K234-H237 PolarHBondContact O-N 3.44Å; R235-H237 VanDerWaalsContact C-N 3.29Å; H237-G239 VanDerWaalsContact C-N 3.32Å
238T93.7Very high94.6Very high80 Ų8078.6 Ų78.649%0.49140%0.403SS..Hα-helixtrans-77.4-19.7178.764.20000113.1K234 R235 E240K234-T238 PolarHBondContact O-N 2.85Å; K234-T238 VanDerWaalsContact O-N 3.13Å; R235-T238 WeakPolarHBondContact CA-OG1 3.29Å; T238-E240 PolarHBondContact O-N 3.18Å; T238-E240 WeakPolarHBondContact OG1-CB 3.43Å; T238-E240 WeakPolarHBondContact OG1-CG 3.38Å; T238-E240 PolarHBondContact OG1-N 3.11Å
239G93.1Very high94.7Very high49 Ų4976.4 Ų76.451%0.50539%0.394SS..  trans74.92.4-173.900000114.1R235 H237 K241R235-G239 WeakPolarHBondContact O-CA 3.36Å; R235-G239 PolarHBondContact O-N 3.46Å; H237-G239 VanDerWaalsContact C-N 3.32Å; G239-K241 PolarHBondContact O-N 2.82Å
240E95.4Very high94.8Very high107 Ų10780.6 Ų80.650%0.541%0.407SS..  trans-57.2133.1-177.9-80.6174.6-149.300112.9R235 T238R235-E240 HydrophobicContact CB-CB 4.43Å; R235-E240 HydrophobicContact CG-CB 4.29Å; T238-E240 PolarHBondContact O-N 3.18Å; T238-E240 WeakPolarHBondContact OG1-CB 3.43Å; T238-E240 WeakPolarHBondContact OG1-CG 3.38Å; T238-E240 PolarHBondContact OG1-N 3.11Å
241K95.7Very high94.8Very high128 Ų12881.8 Ų81.856%0.55742%0.418SS*.  trans-132.575.4179.2-71.9165.6178.2178.70110.5G239 Y243 A251 F252G239-K241 PolarHBondContact O-N 2.82Å; K241-Y243 PolarHBondContact O-N 3.11Å; K241-Y243 VanDerWaalsContact O-N 3.15Å; K241-A251 HydrophobicContact CB-CB 3.58Å; K241-A251 HydrophobicContact CD-CB 4.37Å; K241-A251 WeakPolarHBondContact CD-O 3.28Å; K241-A251 WeakPolarHBondContact O-CB 3.4Å; K241-F252 CarbonylContact C-O 3.58Å; K241-F252 VanDerWaalsContact C-O 3.28Å; K241-F252 VanDerWaalsContact CA-O 3.3Å; K241-F252 WeakPolarHBondContact CA-O 3.2Å
242P94.1Very high94.9Very high73 Ų7379.9 Ų79.947%0.47441%0.408SS..  trans-67.3-17.2-173.1-21.134000114.4
243Y96.3Very high94.9Very high71 Ų7176.9 Ų76.928%0.27840%0.402SS..EExtended strand (participates in β ladder)trans-100.292.9-174-53.2-74.8000110.5K241 A251 F252 H255K241-Y243 PolarHBondContact O-N 3.11Å; K241-Y243 VanDerWaalsContact O-N 3.15Å; Y243-A251 CarbonylContact O-C 3.59Å; Y243-A251 WeakPolarHBondContact O-CA 3.27Å; Y243-F252 WeakPolarHBondContact CD2-O 3.5Å; Y243-F252 PolarHBondContact N-O 2.82Å; Y243-F252 VanDerWaalsContact N-O 3.14Å; Y243-F252 PolarHBondContact O-N 3.36Å; Y243-H255 HydrophobicContact CD1-CB 3.99Å; Y243-H255 HydrophobicContact CD2-CB 4.49Å; Y243-H255 VanDerWaalsContact CD2-N 3.3Å; Y243-H255 HydrophobicContact CE1-CB 3.79Å; Y243-H255 HydrophobicContact CE2-CB 4.29Å; Y243-H255 VanDerWaalsContact CE2-N 3.29Å; Y243-H255 HydrophobicContact CG-CB 4.34Å
244Q96.6Very high94.8Very high115 Ų11579.9 Ų79.954%0.53742%0.416SS..EExtended strand (participates in β ladder)trans-88.7141.8179.1-166.2172.5-0.600112.1G249 A251Q244-G249 WeakPolarHBondContact CG-O 3.34Å; Q244-G249 PolarHBondContact NE2-O 3.21Å; Q244-A251 HydrophobicContact CB-CB 4.44Å; Q244-A251 HydrophobicContact CG-CB 4.48Å
245C96.2Very high94.7Very high1 Ų180.3 Ų80.31%0.00742%0.419CS..  trans-85.5118.3168.7-177.80000110Q247 G249 K250 L258 H265C245-Q247 PolarHBondContact O-N 2.92Å; C245-G249 VanDerWaalsContact O-CA 3.23Å; C245-G249 WeakPolarHBondContact O-CA 3.43Å; C245-G249 PolarHBondContact O-N 3.12Å; C245-K250 WeakPolarHBondContact CB-O 3.41Å; C245-K250 PolarHBondContact N-O 3.39Å; C245-L258 HydrophobicContact CB-CD1 3.64Å; C245-H265 PolarHBondContact SG-NE2 2.94Å
246N94Very high94.6Very high154 Ų15479.8 Ų79.882%0.82442%0.424SS*.THydrogen-bonded Turntrans-67.3-22.3-179.8-60.6-2.9000113.2
247Q92.4Very high94.6Very high133 Ų13374.6 Ų74.662%0.62141%0.406SS*.THydrogen-bonded Turntrans-82.3-29.5-178.1-72.5173.7-21.900113.9C245 H265C245-Q247 PolarHBondContact O-N 2.92Å; Q247-H265 PolarHBondContact OE1-CD2 3.2Å
248C95Very high94.6Very high54 Ų5471.4 Ų71.437%0.36539%0.392SS..THydrogen-bonded Turntrans-1367.5-178.872.30000115.1K250 H261 H265C248-K250 PolarHBondContact O-N 3.49Å; C248-H261 VanDerWaalsContact SG-CE1 3.56Å; C248-H261 PolarHBondContact SG-NE2 3.34Å; C248-H265 PolarHBondContact SG-NE2 2.97Å; C248-H265 VanDerWaalsContact SG-NE2 3.36Å
249G93.7Very high94.5Very high39 Ų3971.4 Ų71.440%0.40239%0.386SS..  trans70.3-5.6-179.800000115.3Q244 C245 A251Q244-G249 WeakPolarHBondContact CG-O 3.34Å; Q244-G249 PolarHBondContact NE2-O 3.21Å; C245-G249 VanDerWaalsContact O-CA 3.23Å; C245-G249 WeakPolarHBondContact O-CA 3.43Å; C245-G249 PolarHBondContact O-N 3.12Å; G249-A251 PolarHBondContact O-N 3.17Å
250K96Very high94.5Very high130 Ų13073.2 Ų73.257%0.56538%0.378SS*.  trans-64.9129-179.5-73.7-179.2-178.4170.40111.3C245 C248 F252C245-K250 WeakPolarHBondContact CB-O 3.41Å; C245-K250 PolarHBondContact N-O 3.39Å; C248-K250 PolarHBondContact O-N 3.49Å; K250-F252 HydrophobicContact CB-CE2 4.06Å; K250-F252 HydrophobicContact CB-CZ 4.15Å; K250-F252 WeakPolarHBondContact O-CE2 3.36Å
251A96Very high94.4Very high33 Ų3368.9 Ų68.927%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-107147.4-179.200000112.8K241 Y243 Q244 G249K241-A251 HydrophobicContact CB-CB 3.58Å; K241-A251 HydrophobicContact CD-CB 4.37Å; K241-A251 WeakPolarHBondContact CD-O 3.28Å; K241-A251 WeakPolarHBondContact O-CB 3.4Å; Y243-A251 CarbonylContact O-C 3.59Å; Y243-A251 WeakPolarHBondContact O-CA 3.27Å; Q244-A251 HydrophobicContact CB-CB 4.44Å; Q244-A251 HydrophobicContact CG-CB 4.48Å; G249-A251 PolarHBondContact O-N 3.17Å
252F95.3Very high94.2Very high46 Ų4666.8 Ų66.820%0.20235%0.349CS..EExtended strand (participates in β ladder)trans-128.8148.2-176.8-57.5-89.7000111.6K241 Y243 K250 H254 L258 H261K241-F252 CarbonylContact C-O 3.58Å; K241-F252 VanDerWaalsContact C-O 3.28Å; K241-F252 VanDerWaalsContact CA-O 3.3Å; K241-F252 WeakPolarHBondContact CA-O 3.2Å; Y243-F252 WeakPolarHBondContact CD2-O 3.5Å; Y243-F252 PolarHBondContact N-O 2.82Å; Y243-F252 VanDerWaalsContact N-O 3.14Å; Y243-F252 PolarHBondContact O-N 3.36Å; K250-F252 HydrophobicContact CB-CE2 4.06Å; K250-F252 HydrophobicContact CB-CZ 4.15Å; K250-F252 WeakPolarHBondContact O-CE2 3.36Å; F252-H254 VanDerWaalsContact C-N 3.29Å; F252-H254 PolarHBondContact O-N 2.76Å; F252-L258 HydrophobicContact CB-CB 4.46Å; F252-L258 HydrophobicContact CD2-CB 3.85Å; F252-L258 HydrophobicContact CD2-CD1 3.89Å; F252-L258 HydrophobicContact CD2-CG 4.49Å; F252-L258 HydrophobicContact CE2-CD1 4Å; F252-L258 HydrophobicContact CG-CB 4.35Å; F252-H261 HydrophobicContact CE1-CB 4.01Å; F252-H261 HydrophobicContact CE2-CB 3.75Å; F252-H261 AromaticContact CE2-CD2 3.25Å; F252-H261 WeakPolarHBondContact CE2-CD2 3.45Å; F252-H261 AromaticContact CE2-CG 3.55Å; F252-H261 AromaticContact CE2-NE2 3.99Å; F252-H261 HydrophobicContact CZ-CB 3.38Å; F252-H261 AromaticContact CZ-CD2 3.41Å; F252-H261 VanDerWaalsContact CZ-CD2 3.41Å; F252-H261 WeakPolarHBondContact CZ-CD2 3.46Å; F252-H261 AromaticContact CZ-CG 3.21Å; F252-H261 AromaticContact CZ-ND1 3.83Å
253A94.1Very high94.1Very high25 Ų2564.7 Ų64.721%0.20733%0.333CS..SBendtrans-75.9-17175.900000113.2Y232 R235Y232-A253 HydrophobicContact CE2-CB 4.01Å; R235-A253 HydrophobicContact CB-CB 4.29Å; R235-A253 WeakPolarHBondContact CD-O 3.39Å; R235-A253 PolarHBondContact NH1-O 3.28Å
254H93.2Very high93.8Very high75 Ų7569.2 Ų69.235%0.34736%0.355SS..SBendtrans-133.9140.3-178.7-165.8-130.2000112.4Y232 F252 S256 S257 L258Y232-H254 HydrophobicContact CD2-CB 4.28Å; Y232-H254 HydrophobicContact CE2-CB 3.67Å; F252-H254 VanDerWaalsContact C-N 3.29Å; F252-H254 PolarHBondContact O-N 2.76Å; H254-S256 VanDerWaalsContact C-N 3.34Å; H254-S256 PolarHBondContact CE1-OG 2.81Å; H254-S256 VanDerWaalsContact CE1-OG 3.22Å; H254-S256 PolarHBondContact ND1-OG 3.25Å; H254-S256 PolarHBondContact O-N 3.14Å; H254-S257 WeakPolarHBondContact O-CB 3.33Å; H254-S257 PolarHBondContact O-N 3.44Å; H254-S257 VanDerWaalsContact O-N 3.1Å; H254-L258 PolarHBondContact O-N 3.45Å
255H94.1Very high93.6Very high89 Ų8967.4 Ų67.441%0.41235%0.346SS..Hα-helixtrans-59.4-42.2-179.4177.7-104000112.3Y243 S257 L258 Q259Y243-H255 HydrophobicContact CD1-CB 3.99Å; Y243-H255 HydrophobicContact CD2-CB 4.49Å; Y243-H255 VanDerWaalsContact CD2-N 3.3Å; Y243-H255 HydrophobicContact CE1-CB 3.79Å; Y243-H255 HydrophobicContact CE2-CB 4.29Å; Y243-H255 VanDerWaalsContact CE2-N 3.29Å; Y243-H255 HydrophobicContact CG-CB 4.34Å; H255-S257 PolarHBondContact O-N 2.83Å; H255-L258 WeakPolarHBondContact O-CB 3.29Å; H255-L258 PolarHBondContact O-N 3.13Å; H255-L258 VanDerWaalsContact O-N 3.1Å; H255-Q259 VanDerWaalsContact CE1-CG 3.47Å; H255-Q259 WeakPolarHBondContact CE1-CG 3.28Å; H255-Q259 PolarHBondContact CE1-NE2 2.85Å; H255-Q259 PolarHBondContact NE2-NE2 3.49Å; H255-Q259 WeakPolarHBondContact O-CG 3.48Å; H255-Q259 PolarHBondContact O-N 2.91Å
256S91.9Very high93.3Very high46 Ų4671 Ų7132%0.32237%0.368SS..Hα-helixtrans-63.9-29.8179.274.90000112.7H254 Q259 Y260H254-S256 VanDerWaalsContact C-N 3.34Å; H254-S256 PolarHBondContact CE1-OG 2.81Å; H254-S256 VanDerWaalsContact CE1-OG 3.22Å; H254-S256 PolarHBondContact ND1-OG 3.25Å; H254-S256 PolarHBondContact O-N 3.14Å; S256-Q259 PolarHBondContact O-N 3.08Å; S256-Y260 WeakPolarHBondContact O-CD2 3.38Å; S256-Y260 PolarHBondContact O-N 3.22Å
257S94Very high93Very high40 Ų4066.1 Ų66.128%0.2835%0.354SS..Hα-helixtrans-68-38.7175-60.60000111.9H254 H255 H261H254-S257 WeakPolarHBondContact O-CB 3.33Å; H254-S257 PolarHBondContact O-N 3.44Å; H254-S257 VanDerWaalsContact O-N 3.1Å; H255-S257 PolarHBondContact O-N 2.83Å; S257-H261 VanDerWaalsContact O-CB 3.29Å; S257-H261 WeakPolarHBondContact O-CB 3.33Å; S257-H261 PolarHBondContact O-N 3.3Å
258L94.9Very high92.8Very high11 Ų1165.5 Ų65.56%0.05835%0.351CS..Hα-helixtrans-63.2-44.8171.3173.162.3000111.2C245 F252 H254 H255 Y260 H261 K262C245-L258 HydrophobicContact CB-CD1 3.64Å; F252-L258 HydrophobicContact CB-CB 4.46Å; F252-L258 HydrophobicContact CD2-CB 3.85Å; F252-L258 HydrophobicContact CD2-CD1 3.89Å; F252-L258 HydrophobicContact CD2-CG 4.49Å; F252-L258 HydrophobicContact CE2-CD1 4Å; F252-L258 HydrophobicContact CG-CB 4.35Å; H254-L258 PolarHBondContact O-N 3.45Å; H255-L258 WeakPolarHBondContact O-CB 3.29Å; H255-L258 PolarHBondContact O-N 3.13Å; H255-L258 VanDerWaalsContact O-N 3.1Å; L258-Y260 PolarHBondContact O-N 2.88Å; L258-H261 CarbonylContact O-C 3.51Å; L258-H261 WeakPolarHBondContact O-CA 3.39Å; L258-H261 WeakPolarHBondContact O-CB 3.5Å; L258-H261 PolarHBondContact O-N 2.75Å; L258-K262 HydrophobicContact CD1-CG 4.28Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.12Å
259Q93.1Very high92.6Very high81 Ų8168.9 Ų68.938%0.37936%0.36SS..Hα-helixtrans-58.2-50.3179-68.7-64.1-23.800111.7H255 S256 H261 K262 I263H255-Q259 VanDerWaalsContact CE1-CG 3.47Å; H255-Q259 WeakPolarHBondContact CE1-CG 3.28Å; H255-Q259 PolarHBondContact CE1-NE2 2.85Å; H255-Q259 PolarHBondContact NE2-NE2 3.49Å; H255-Q259 WeakPolarHBondContact O-CG 3.48Å; H255-Q259 PolarHBondContact O-N 2.91Å; S256-Q259 PolarHBondContact O-N 3.08Å; Q259-H261 PolarHBondContact O-N 3.19Å; Q259-K262 PolarHBondContact O-N 3.27Å; Q259-I263 PolarHBondContact O-N 3.42Å
260Y91.6Very high92.5Very high86 Ų8671.4 Ų71.434%0.33737%0.369SS..Hα-helixtrans-65.5-24.8174.8-69.4-58.3000113.9S256 L258 I263 R282S256-Y260 WeakPolarHBondContact O-CD2 3.38Å; S256-Y260 PolarHBondContact O-N 3.22Å; L258-Y260 PolarHBondContact O-N 2.88Å; Y260-I263 HydrophobicContact CD1-CD1 3.95Å; Y260-R282 HydrophobicContact CD1-CG 3.71Å; Y260-R282 HydrophobicContact CE1-CG 3.86Å; Y260-R282 HydrophobicContact CG-CG 4.24Å
261H93.7Very high92.4Very high17 Ų1766.3 Ų66.38%0.07935%0.35CS..Hα-helixtrans-73.3-39.9174.5167.660000111.7C248 F252 S257 L258 Q259 I263 K264 H265C248-H261 VanDerWaalsContact SG-CE1 3.56Å; C248-H261 PolarHBondContact SG-NE2 3.34Å; F252-H261 HydrophobicContact CE1-CB 4.01Å; F252-H261 HydrophobicContact CE2-CB 3.75Å; F252-H261 AromaticContact CE2-CD2 3.25Å; F252-H261 WeakPolarHBondContact CE2-CD2 3.45Å; F252-H261 AromaticContact CE2-CG 3.55Å; F252-H261 AromaticContact CE2-NE2 3.99Å; F252-H261 HydrophobicContact CZ-CB 3.38Å; F252-H261 AromaticContact CZ-CD2 3.41Å; F252-H261 VanDerWaalsContact CZ-CD2 3.41Å; F252-H261 WeakPolarHBondContact CZ-CD2 3.46Å; F252-H261 AromaticContact CZ-CG 3.21Å; F252-H261 AromaticContact CZ-ND1 3.83Å; S257-H261 VanDerWaalsContact O-CB 3.29Å; S257-H261 WeakPolarHBondContact O-CB 3.33Å; S257-H261 PolarHBondContact O-N 3.3Å; L258-H261 CarbonylContact O-C 3.51Å; L258-H261 WeakPolarHBondContact O-CA 3.39Å; L258-H261 WeakPolarHBondContact O-CB 3.5Å; L258-H261 PolarHBondContact O-N 2.75Å; Q259-H261 PolarHBondContact O-N 3.19Å; H261-I263 PolarHBondContact O-N 3.17Å; H261-K264 VanDerWaalsContact O-CB 3.25Å; H261-K264 WeakPolarHBondContact O-CB 3.4Å; H261-K264 PolarHBondContact O-N 3.06Å; H261-H265 AromaticContact CE1-NE2 3.43Å; H261-H265 PolarHBondContact CE1-NE2 2.9Å; H261-H265 AromaticContact NE2-NE2 3.27Å; H261-H265 PolarHBondContact NE2-NE2 3.05Å
262K92.5Very high92.3Very high83 Ų8370.6 Ų70.636%0.36136%0.364SS..Hα-helixtrans-57.7-35.4175.9-72.9-178.1173.8-172.70112.4L258 Q259 K264 H265 T266L258-K262 HydrophobicContact CD1-CG 4.28Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.12Å; Q259-K262 PolarHBondContact O-N 3.27Å; K262-K264 PolarHBondContact O-N 3.32Å; K262-K264 VanDerWaalsContact O-N 3.13Å; K262-H265 WeakPolarHBondContact O-CB 3.47Å; K262-H265 PolarHBondContact O-N 3.19Å; K262-T266 PolarHBondContact O-N 2.99Å
263I91.7Very high92.4Very high29 Ų2968.4 Ų68.415%0.14935%0.354CS..Hα-helixtrans-56.1-29.8173.8-61.4178.4000112.1Q259 Y260 H261 H265 T266 G267 E268 A281Q259-I263 PolarHBondContact O-N 3.42Å; Y260-I263 HydrophobicContact CD1-CD1 3.95Å; H261-I263 PolarHBondContact O-N 3.17Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 3.04Å; I263-T266 PolarHBondContact O-OG1 3.32Å; I263-G267 WeakPolarHBondContact O-CA 3.4Å; I263-G267 PolarHBondContact O-N 3.33Å; I263-E268 WeakPolarHBondContact CG2-O 3.43Å; I263-A281 HydrophobicContact CG2-CB 3.87Å
264K90.1Very high92.4Very high167 Ų16773.4 Ų73.473%0.72638%0.383SS*.Hα-helixtrans-69.5-25.2175.4-62.6-170.2171.6-169.20113.6H261 K262H261-K264 VanDerWaalsContact O-CB 3.25Å; H261-K264 WeakPolarHBondContact O-CB 3.4Å; H261-K264 PolarHBondContact O-N 3.06Å; K262-K264 PolarHBondContact O-N 3.32Å; K262-K264 VanDerWaalsContact O-N 3.13Å
265H91.7Very high92.3Very high77 Ų7775.8 Ų75.836%0.35639%0.394SS..Hα-helixtrans-81.7-40.4177.4-67.8-59.4000111.6C245 Q247 C248 H261 K262 I263 G267C245-H265 PolarHBondContact SG-NE2 2.94Å; Q247-H265 PolarHBondContact OE1-CD2 3.2Å; C248-H265 PolarHBondContact SG-NE2 2.97Å; C248-H265 VanDerWaalsContact SG-NE2 3.36Å; H261-H265 AromaticContact CE1-NE2 3.43Å; H261-H265 PolarHBondContact CE1-NE2 2.9Å; H261-H265 AromaticContact NE2-NE2 3.27Å; H261-H265 PolarHBondContact NE2-NE2 3.05Å; K262-H265 WeakPolarHBondContact O-CB 3.47Å; K262-H265 PolarHBondContact O-N 3.19Å; I263-H265 VanDerWaalsContact C-N 3.28Å; I263-H265 PolarHBondContact O-N 3.04Å; H265-G267 VanDerWaalsContact C-N 3.31Å
266T90Very high92.4Very high75 Ų7574.2 Ų74.246%0.4639%0.392SS..Hα-helixtrans-75.4-24.7177.361.50000112K262 I263 E268K262-T266 PolarHBondContact O-N 2.99Å; I263-T266 PolarHBondContact O-OG1 3.32Å; T266-E268 PolarHBondContact O-N 3.2Å; T266-E268 WeakPolarHBondContact OG1-CB 3.39Å; T266-E268 WeakPolarHBondContact OG1-CG 3.43Å; T266-E268 PolarHBondContact OG1-N 3.03Å
267G88Confident92.5Very high52 Ų5274 Ų7454%0.53640%0.397SS..  trans72.5-0.1-17300000113.2I263 H265I263-G267 WeakPolarHBondContact O-CA 3.4Å; I263-G267 PolarHBondContact O-N 3.33Å; H265-G267 VanDerWaalsContact C-N 3.31Å
268E88.8Confident92.5Very high121 Ų12178.1 Ų78.157%0.56541%0.41SS*.  trans-58.6146.2177.5-72171.5-164.700110.6I263 T266I263-E268 WeakPolarHBondContact CG2-O 3.43Å; T266-E268 PolarHBondContact O-N 3.2Å; T266-E268 WeakPolarHBondContact OG1-CB 3.39Å; T266-E268 WeakPolarHBondContact OG1-CG 3.43Å; T266-E268 PolarHBondContact OG1-N 3.03Å
269K90.6Very high92.5Very high124 Ų12479 Ų7954%0.53942%0.419SS..  trans-136.783.8177.5-66.5-168-163.1168.40108.7C271 A279 F280K269-C271 PolarHBondContact O-N 3.22Å; K269-A279 HydrophobicContact CB-CB 3.39Å; K269-A279 HydrophobicContact CD-CB 4.16Å; K269-A279 WeakPolarHBondContact CD-O 3.35Å; K269-A279 HydrophobicContact CG-CB 4.42Å; K269-A279 WeakPolarHBondContact O-CB 3.45Å; K269-F280 CarbonylContact C-O 3.33Å; K269-F280 VanDerWaalsContact C-O 3.3Å; K269-F280 WeakPolarHBondContact CA-O 3.39Å
270P90.2Very high92.5Very high93 Ų9377.1 Ų77.160%0.60441%0.409SS*.  trans-64.9-15.4-169.9-23.234.2000114.5
271C93.9Very high92.5Very high23 Ų2374.2 Ų74.216%0.15540%0.404CS..EExtended strand (participates in β ladder)trans-104.991.4-175.1-57.20000110.5K269 A279 F280 L286K269-C271 PolarHBondContact O-N 3.22Å; C271-A279 CarbonylContact O-C 3.37Å; C271-A279 WeakPolarHBondContact O-CA 3.38Å; C271-F280 HydrophobicContact CB-CB 4.38Å; C271-F280 WeakPolarHBondContact CB-O 3.39Å; C271-F280 PolarHBondContact N-O 2.94Å; C271-F280 VanDerWaalsContact N-O 3.14Å; C271-F280 PolarHBondContact O-N 3.35Å; C271-L286 HydrophobicContact CB-CB 4Å; C271-L286 HydrophobicContact CB-CD2 3.85Å
272E95.5Very high92.4Very high122 Ų12278.6 Ų78.657%0.5742%0.419SS*.EExtended strand (participates in β ladder)trans-89.1140.9179.2-165.9177.5162.400113.2A279 L286E272-A279 HydrophobicContact CB-CB 4.43Å; E272-A279 HydrophobicContact CG-CB 4.43Å; E272-L286 WeakPolarHBondContact O-CD2 3.42Å
273C96.1Very high92.5Very high0 Ų078 Ų780%042%0.424CS..  trans-85.5113169.7-174.80000110.6Q275 C276 G277 K278 L286C273-Q275 PolarHBondContact O-N 3.42Å; C273-Q275 VanDerWaalsContact O-N 3.13Å; C273-C276 PolarHBondContact O-N 2.87Å; C273-G277 WeakPolarHBondContact O-CA 3.37Å; C273-G277 PolarHBondContact O-N 2.9Å; C273-K278 VanDerWaalsContact CB-O 3.29Å; C273-K278 WeakPolarHBondContact CB-O 3.37Å; C273-K278 PolarHBondContact N-O 3.36Å; C273-L286 HydrophobicContact CB-CD1 3.61Å
274T93.9Very high92.5Very high130 Ų13082.6 Ų82.680%0.79845%0.449SS*.THydrogen-bonded Turntrans-62.5-19.8178.354.90000114.4
275Q93.1Very high92.7Very high126 Ų12678.5 Ų78.559%0.58943%0.432SS*.THydrogen-bonded Turntrans-86.2-23.2-179-69.7178.4-11.400113.8C273 H293C273-Q275 PolarHBondContact O-N 3.42Å; C273-Q275 VanDerWaalsContact O-N 3.13Å; Q275-H293 PolarHBondContact OE1-CD2 3.24Å
276C95.1Very high92.9Very high56 Ų5675.9 Ų75.938%0.37842%0.421SS..THydrogen-bonded Turntrans-143.26.7-178.471.70000115.6C273 K278 H289 H293C273-C276 PolarHBondContact O-N 2.87Å; C276-K278 PolarHBondContact O-N 3.5Å; C276-H289 PolarHBondContact SG-NE2 3.18Å; C276-H293 PolarHBondContact SG-NE2 3.05Å; C276-H293 VanDerWaalsContact SG-NE2 3.38Å
277G93.2Very high93.1Very high41 Ų4176.8 Ų76.842%0.42342%0.42SS..  trans68.90-179.200000114.8C273 A279C273-G277 WeakPolarHBondContact O-CA 3.37Å; C273-G277 PolarHBondContact O-N 2.9Å; G277-A279 PolarHBondContact O-N 2.95Å
278K94.9Very high93.5Very high127 Ų12776.8 Ų76.855%0.55241%0.407SS*.  trans-68.6123.3178-74-178.6-178.2173.30110.1C273 C276 F280C273-K278 VanDerWaalsContact CB-O 3.29Å; C273-K278 WeakPolarHBondContact CB-O 3.37Å; C273-K278 PolarHBondContact N-O 3.36Å; C276-K278 PolarHBondContact O-N 3.5Å; K278-F280 HydrophobicContact CB-CE2 3.88Å; K278-F280 HydrophobicContact CB-CZ 4.03Å; K278-F280 VanDerWaalsContact O-CE2 3.27Å; K278-F280 WeakPolarHBondContact O-CE2 3.4Å
279A94.2Very high93.8Very high29 Ų2971.9 Ų71.924%0.2439%0.385CS..EExtended strand (participates in β ladder)trans-100.1148.717700000112.4K269 C271 E272 G277K269-A279 HydrophobicContact CB-CB 3.39Å; K269-A279 HydrophobicContact CD-CB 4.16Å; K269-A279 WeakPolarHBondContact CD-O 3.35Å; K269-A279 HydrophobicContact CG-CB 4.42Å; K269-A279 WeakPolarHBondContact O-CB 3.45Å; C271-A279 CarbonylContact O-C 3.37Å; C271-A279 WeakPolarHBondContact O-CA 3.38Å; E272-A279 HydrophobicContact CB-CB 4.43Å; E272-A279 HydrophobicContact CG-CB 4.43Å; G277-A279 PolarHBondContact O-N 2.95Å
280F93.6Very high94Very high41 Ų4169.8 Ų69.818%0.1838%0.376CS..EExtended strand (participates in β ladder)trans-130.2154.5-178.3-58.8-90.2000111.8K269 C271 K278 E285 L286 H289K269-F280 CarbonylContact C-O 3.33Å; K269-F280 VanDerWaalsContact C-O 3.3Å; K269-F280 WeakPolarHBondContact CA-O 3.39Å; C271-F280 HydrophobicContact CB-CB 4.38Å; C271-F280 WeakPolarHBondContact CB-O 3.39Å; C271-F280 PolarHBondContact N-O 2.94Å; C271-F280 VanDerWaalsContact N-O 3.14Å; C271-F280 PolarHBondContact O-N 3.35Å; K278-F280 HydrophobicContact CB-CE2 3.88Å; K278-F280 HydrophobicContact CB-CZ 4.03Å; K278-F280 VanDerWaalsContact O-CE2 3.27Å; K278-F280 WeakPolarHBondContact O-CE2 3.4Å; F280-E285 HydrophobicContact CB-CB 3.94Å; F280-E285 HydrophobicContact CD1-CB 3.82Å; F280-E285 HydrophobicContact CG-CB 4.11Å; F280-L286 HydrophobicContact CB-CB 4.34Å; F280-L286 HydrophobicContact CD2-CB 3.91Å; F280-L286 HydrophobicContact CD2-CD1 3.87Å; F280-L286 HydrophobicContact CE2-CD1 4.08Å; F280-L286 HydrophobicContact CG-CB 4.31Å; F280-H289 HydrophobicContact CE1-CB 3.93Å; F280-H289 HydrophobicContact CE2-CB 3.74Å; F280-H289 AromaticContact CE2-CD2 3.17Å; F280-H289 WeakPolarHBondContact CE2-CD2 3.37Å; F280-H289 AromaticContact CE2-CG 3.53Å; F280-H289 AromaticContact CE2-NE2 3.96Å; F280-H289 HydrophobicContact CZ-CB 3.35Å; F280-H289 AromaticContact CZ-CD2 3.34Å; F280-H289 WeakPolarHBondContact CZ-CD2 3.46Å; F280-H289 AromaticContact CZ-CG 3.2Å; F280-H289 AromaticContact CZ-ND1 3.88Å
281A91.8Very high94.3Very high26 Ų2667.5 Ų67.522%0.21536%0.355CS..SBendtrans-79.2-21.9178.900000112.5I263 E285I263-A281 HydrophobicContact CG2-CB 3.87Å; A281-E285 PolarHBondContact N-OE2 3.4Å
282R92.3Very high94.3Very high108 Ų10870.9 Ų70.941%0.40838%0.375SS..SBendtrans-131.2142.4-176.7-62.2-178.4174179.50.2112.1Y260 N284 E285 L286Y260-R282 HydrophobicContact CD1-CG 3.71Å; Y260-R282 HydrophobicContact CE1-CG 3.86Å; Y260-R282 HydrophobicContact CG-CG 4.24Å; R282-N284 VanDerWaalsContact C-N 3.29Å; R282-N284 PolarHBondContact O-N 3.04Å; R282-E285 HydrophobicContact CB-CB 4.46Å; R282-E285 HydrophobicContact CB-CG 4.04Å; R282-E285 PolarHBondContact N-OE2 3.44Å; R282-E285 WeakPolarHBondContact O-CB 3.45Å; R282-E285 PolarHBondContact O-N 3.42Å; R282-L286 PolarHBondContact O-N 3.09Å
283P93.2Very high94.3Very high71 Ų7168.6 Ų68.646%0.46136%0.364SS..Hα-helixtrans-57.1-38.6176.3-26.934.1000114E285 L286 Q287P283-E285 VanDerWaalsContact C-N 3.28Å; P283-E285 PolarHBondContact O-N 3.08Å; P283-L286 WeakPolarHBondContact O-CB 3.32Å; P283-L286 PolarHBondContact O-N 3.22Å; P283-Q287 PolarHBondContact O-N 3.1Å
284N92.8Very high94.3Very high126 Ų12672.4 Ų72.467%0.67439%0.388SS*.Hα-helixtrans-67-28.7178.8-69.57.2000112.7R282 N288R282-N284 VanDerWaalsContact C-N 3.29Å; R282-N284 PolarHBondContact O-N 3.04Å; N284-N288 WeakPolarHBondContact O-CB 3.5Å; N284-N288 VanDerWaalsContact O-CG 3.25Å; N284-N288 PolarHBondContact O-N 3.33Å; N284-N288 PolarHBondContact O-ND2 3.44Å; N284-N288 VanDerWaalsContact O-ND2 3.16Å
285E93.7Very high94.2Very high81 Ų8168.6 Ų68.638%0.37937%0.374SS..Hα-helixtrans-70.5-44.2174.8-67.3169177.500110.1F280 A281 R282 P283 Q287 N288 H289F280-E285 HydrophobicContact CB-CB 3.94Å; F280-E285 HydrophobicContact CD1-CB 3.82Å; F280-E285 HydrophobicContact CG-CB 4.11Å; A281-E285 PolarHBondContact N-OE2 3.4Å; R282-E285 HydrophobicContact CB-CB 4.46Å; R282-E285 HydrophobicContact CB-CG 4.04Å; R282-E285 PolarHBondContact N-OE2 3.44Å; R282-E285 WeakPolarHBondContact O-CB 3.45Å; R282-E285 PolarHBondContact O-N 3.42Å; P283-E285 VanDerWaalsContact C-N 3.28Å; P283-E285 PolarHBondContact O-N 3.08Å; E285-Q287 PolarHBondContact O-N 3.39Å; E285-N288 PolarHBondContact O-N 3.02Å; E285-H289 WeakPolarHBondContact O-CB 3.32Å; E285-H289 PolarHBondContact O-N 3.09Å
286L95.1Very high94.4Very high21 Ų2167.5 Ų67.511%0.1137%0.369CS..Hα-helixtrans-59.1-45.8172173.561.2000111.5C271 E272 C273 F280 R282 P283 N288 H289 K290C271-L286 HydrophobicContact CB-CB 4Å; C271-L286 HydrophobicContact CB-CD2 3.85Å; E272-L286 WeakPolarHBondContact O-CD2 3.42Å; C273-L286 HydrophobicContact CB-CD1 3.61Å; F280-L286 HydrophobicContact CB-CB 4.34Å; F280-L286 HydrophobicContact CD2-CB 3.91Å; F280-L286 HydrophobicContact CD2-CD1 3.87Å; F280-L286 HydrophobicContact CE2-CD1 4.08Å; F280-L286 HydrophobicContact CG-CB 4.31Å; R282-L286 PolarHBondContact O-N 3.09Å; P283-L286 WeakPolarHBondContact O-CB 3.32Å; P283-L286 PolarHBondContact O-N 3.22Å; L286-N288 PolarHBondContact O-N 2.96Å; L286-H289 CarbonylContact O-C 3.26Å; L286-H289 WeakPolarHBondContact O-CB 3.35Å; L286-H289 PolarHBondContact O-N 3.49Å; L286-H289 VanDerWaalsContact O-N 3.13Å; L286-K290 HydrophobicContact CD1-CG 4.27Å; L286-K290 WeakPolarHBondContact O-CG 3.38Å; L286-K290 PolarHBondContact O-N 2.77Å
287Q95.4Very high94.4Very high94 Ų9471 Ų7144%0.43938%0.377SS..Hα-helixtrans-60.7-44.1178.7-17759.352.900112.1P283 E285 H289 K290P283-Q287 PolarHBondContact O-N 3.1Å; E285-Q287 PolarHBondContact O-N 3.39Å; Q287-H289 VanDerWaalsContact C-N 3.29Å; Q287-H289 PolarHBondContact O-N 3.31Å; Q287-K290 PolarHBondContact O-N 3.05Å
288N95.3Very high94.5Very high52 Ų5272.7 Ų72.728%0.27838%0.381SS..Hα-helixtrans-66.2-34.4175.5-73.3-27.8000111.9N284 E285 L286 R291 V310N284-N288 WeakPolarHBondContact O-CB 3.5Å; N284-N288 VanDerWaalsContact O-CG 3.25Å; N284-N288 PolarHBondContact O-N 3.33Å; N284-N288 PolarHBondContact O-ND2 3.44Å; N284-N288 VanDerWaalsContact O-ND2 3.16Å; E285-N288 PolarHBondContact O-N 3.02Å; L286-N288 PolarHBondContact O-N 2.96Å; N288-R291 WeakPolarHBondContact O-CB 3.42Å; N288-R291 PolarHBondContact O-N 3.18Å; N288-V310 HydrophobicContact CB-CG2 3.92Å
289H95.5Very high94.6Very high19 Ų1968.8 Ų68.89%0.08837%0.365CS..Hα-helixtrans-68.9-39.9175.1167.856000112.3C276 F280 E285 L286 Q287 R291 T292 H293C276-H289 PolarHBondContact SG-NE2 3.18Å; F280-H289 HydrophobicContact CE1-CB 3.93Å; F280-H289 HydrophobicContact CE2-CB 3.74Å; F280-H289 AromaticContact CE2-CD2 3.17Å; F280-H289 WeakPolarHBondContact CE2-CD2 3.37Å; F280-H289 AromaticContact CE2-CG 3.53Å; F280-H289 AromaticContact CE2-NE2 3.96Å; F280-H289 HydrophobicContact CZ-CB 3.35Å; F280-H289 AromaticContact CZ-CD2 3.34Å; F280-H289 WeakPolarHBondContact CZ-CD2 3.46Å; F280-H289 AromaticContact CZ-CG 3.2Å; F280-H289 AromaticContact CZ-ND1 3.88Å; E285-H289 WeakPolarHBondContact O-CB 3.32Å; E285-H289 PolarHBondContact O-N 3.09Å; L286-H289 CarbonylContact O-C 3.26Å; L286-H289 WeakPolarHBondContact O-CB 3.35Å; L286-H289 PolarHBondContact O-N 3.49Å; L286-H289 VanDerWaalsContact O-N 3.13Å; Q287-H289 VanDerWaalsContact C-N 3.29Å; Q287-H289 PolarHBondContact O-N 3.31Å; H289-R291 PolarHBondContact O-N 2.92Å; H289-T292 PolarHBondContact ND1-OG1 3Å; H289-T292 WeakPolarHBondContact O-CB 3.3Å; H289-T292 PolarHBondContact O-N 3.29Å; H289-T292 PolarHBondContact O-OG1 2.89Å; H289-H293 AromaticContact CE1-NE2 3.45Å; H289-H293 PolarHBondContact CE1-NE2 3.35Å; H289-H293 AromaticContact NE2-NE2 3.31Å; H289-H293 PolarHBondContact NE2-NE2 3.43Å
290K95.6Very high94.7Very high80 Ų8072.6 Ų72.635%0.34838%0.377SS..Hα-helixtrans-54.7-31.2175.9-74.9-177.5176.3-173.20112.4L286 Q287 T292 H293 T294L286-K290 HydrophobicContact CD1-CG 4.27Å; L286-K290 WeakPolarHBondContact O-CG 3.38Å; L286-K290 PolarHBondContact O-N 2.77Å; Q287-K290 PolarHBondContact O-N 3.05Å; K290-T292 PolarHBondContact O-N 3.47Å; K290-H293 WeakPolarHBondContact O-CB 3.43Å; K290-H293 PolarHBondContact O-N 3.09Å; K290-T294 PolarHBondContact O-N 3.11Å
291R96.2Very high94.9Very high44 Ų4470.7 Ų70.717%0.16637%0.369CS..Hα-helixtrans-62.1-20.2173.4-61177.7177.3169-0.2114.1N288 H289 H293 T294 G295 E296 H299 A309N288-R291 WeakPolarHBondContact O-CB 3.42Å; N288-R291 PolarHBondContact O-N 3.18Å; H289-R291 PolarHBondContact O-N 2.92Å; R291-H293 VanDerWaalsContact C-N 3.28Å; R291-T294 WeakPolarHBondContact CA-OG1 3.4Å; R291-G295 CarbonylContact O-C 3.57Å; R291-G295 WeakPolarHBondContact O-CA 3.2Å; R291-G295 PolarHBondContact O-N 3.21Å; R291-E296 HydrophobicContact CB-CB 4.37Å; R291-E296 HydrophobicContact CG-CB 4.23Å; R291-E296 PolarHBondContact O-N 3.04Å; R291-H299 PolarHBondContact NH1-NE2 3.38Å; R291-A309 HydrophobicContact CB-CB 4.05Å; R291-A309 VanDerWaalsContact CD-O 3.25Å; R291-A309 WeakPolarHBondContact CD-O 3.4Å; R291-A309 PolarHBondContact NH1-O 3.18Å
292T94.8Very high95.1Very high95 Ų9576.7 Ų76.758%0.58340%0.398SS*.Hα-helixtrans-73.6-22.7173.368.20000112.7H289 K290H289-T292 PolarHBondContact ND1-OG1 3Å; H289-T292 WeakPolarHBondContact O-CB 3.3Å; H289-T292 PolarHBondContact O-N 3.29Å; H289-T292 PolarHBondContact O-OG1 2.89Å; K290-T292 PolarHBondContact O-N 3.47Å
293H95.3Very high95.1Very high74 Ų7477.8 Ų77.834%0.34341%0.407SS..Hα-helixtrans-86.9-42.1174.5-61.1-62000111.8Q275 C276 H289 K290 R291 G295Q275-H293 PolarHBondContact OE1-CD2 3.24Å; C276-H293 PolarHBondContact SG-NE2 3.05Å; C276-H293 VanDerWaalsContact SG-NE2 3.38Å; H289-H293 AromaticContact CE1-NE2 3.45Å; H289-H293 PolarHBondContact CE1-NE2 3.35Å; H289-H293 AromaticContact NE2-NE2 3.31Å; H289-H293 PolarHBondContact NE2-NE2 3.43Å; K290-H293 WeakPolarHBondContact O-CB 3.43Å; K290-H293 PolarHBondContact O-N 3.09Å; R291-H293 VanDerWaalsContact C-N 3.28Å; H293-G295 VanDerWaalsContact C-N 3.32Å
294T94.2Very high95.3Very high80 Ų8077 Ų7749%0.49140%0.403SS..Hα-helixtrans-78-18.517963.40000113.1K290 R291 E296K290-T294 PolarHBondContact O-N 3.11Å; R291-T294 WeakPolarHBondContact CA-OG1 3.4Å; T294-E296 PolarHBondContact O-N 2.92Å; T294-E296 WeakPolarHBondContact OG1-CB 3.44Å; T294-E296 WeakPolarHBondContact OG1-CG 3.29Å; T294-E296 PolarHBondContact OG1-N 3.17Å
295G93.6Very high95.4Very high49 Ų4973 Ų7351%0.50539%0.392SS..  trans74.71.8-173.400000114.1R291 H293 K297R291-G295 CarbonylContact O-C 3.57Å; R291-G295 WeakPolarHBondContact O-CA 3.2Å; R291-G295 PolarHBondContact O-N 3.21Å; H293-G295 VanDerWaalsContact C-N 3.32Å; G295-K297 PolarHBondContact O-N 3.49Å
296E96.1Very high95.5Very high104 Ų10475.1 Ų75.149%0.48640%0.4SS..  trans-58130.8-178.3-79177.2-166.800112.5R291 T294R291-E296 HydrophobicContact CB-CB 4.37Å; R291-E296 HydrophobicContact CG-CB 4.23Å; R291-E296 PolarHBondContact O-N 3.04Å; T294-E296 PolarHBondContact O-N 2.92Å; T294-E296 WeakPolarHBondContact OG1-CB 3.44Å; T294-E296 WeakPolarHBondContact OG1-CG 3.29Å; T294-E296 PolarHBondContact OG1-N 3.17Å
297K96.1Very high95.6Very high129 Ų12975.7 Ų75.756%0.56141%0.407SS*.  trans-131.575.1178.4-71.1165.2177.7178.40110.7G295 H299 A307 F308G295-K297 PolarHBondContact O-N 3.49Å; K297-H299 PolarHBondContact O-N 3Å; K297-H299 VanDerWaalsContact O-N 3.1Å; K297-A307 HydrophobicContact CB-CB 3.56Å; K297-A307 HydrophobicContact CD-CB 4.36Å; K297-A307 WeakPolarHBondContact CD-O 3.12Å; K297-A307 WeakPolarHBondContact O-CB 3.46Å; K297-F308 CarbonylContact C-O 3.59Å; K297-F308 WeakPolarHBondContact CA-O 3.22Å
298P94.9Very high95.6Very high77 Ų7773.2 Ų73.250%0.540%0.395SS..  trans-68.9-11.6-172.8-20.133.8000114.7
299H97.1Very high95.6Very high44 Ų4471.9 Ų71.920%0.20439%0.391CS..EExtended strand (participates in β ladder)trans-107.490.5-172.1-54.9-69.6000110.5R291 K297 A307 F308 V310 Q311 L314R291-H299 PolarHBondContact NH1-NE2 3.38Å; K297-H299 PolarHBondContact O-N 3Å; K297-H299 VanDerWaalsContact O-N 3.1Å; H299-A307 CarbonylContact O-C 3.54Å; H299-A307 WeakPolarHBondContact O-CA 3.45Å; H299-F308 HydrophobicContact CB-CB 4.45Å; H299-F308 WeakPolarHBondContact CB-O 3.4Å; H299-F308 PolarHBondContact CD2-O 3.35Å; H299-F308 PolarHBondContact N-O 3.42Å; H299-F308 VanDerWaalsContact N-O 3.16Å; H299-F308 PolarHBondContact O-N 3.08Å; H299-V310 VanDerWaalsContact CD2-C 3.48Å; H299-Q311 PolarHBondContact CD2-N 3.06Å; H299-Q311 PolarHBondContact ND1-OE1 3.34Å; H299-Q311 PolarHBondContact NE2-N 2.98Å; H299-L314 HydrophobicContact CB-CB 4.13Å; H299-L314 HydrophobicContact CB-CD2 3.89Å
300E97.1Very high95.6Very high109 Ų10972.7 Ų72.751%0.50940%0.398SS..EExtended strand (participates in β ladder)trans-87.1143.9-179-164.4176.1159.100113.2G305 A307 L314E300-G305 WeakPolarHBondContact OE1-CA 3.38Å; E300-A307 HydrophobicContact CB-CB 4.39Å; E300-A307 HydrophobicContact CG-CB 4.39Å; E300-L314 WeakPolarHBondContact O-CD2 3.45Å
301C97Very high95.6Very high1 Ų172.8 Ų72.81%0.00740%0.399CS..  trans-89.8107.5169.9-178.80000110.7Q303 C304 G305 K306 L314 H317 H321C301-Q303 PolarHBondContact O-N 3.45Å; C301-C304 PolarHBondContact O-N 3.49Å; C301-C304 VanDerWaalsContact O-N 3.09Å; C301-G305 WeakPolarHBondContact O-CA 3.44Å; C301-G305 PolarHBondContact O-N 2.8Å; C301-K306 VanDerWaalsContact CB-O 3.3Å; C301-K306 WeakPolarHBondContact CB-O 3.44Å; C301-K306 PolarHBondContact N-O 2.91Å; C301-L314 HydrophobicContact CB-CD1 3.59Å; C301-H317 PolarHBondContact SG-NE2 3.46Å; C301-H317 VanDerWaalsContact SG-NE2 3.43Å; C301-H321 PolarHBondContact SG-NE2 2.9Å; C301-H321 VanDerWaalsContact SG-NE2 3.37Å
302N94.9Very high95.5Very high153 Ų15378 Ų7882%0.81842%0.42SS*.THydrogen-bonded Turntrans-58.7-17.8179.8-56.84.9000114.9
303Q94.1Very high95.6Very high130 Ų13076.8 Ų76.861%0.60741%0.41SS*.THydrogen-bonded Turntrans-87.4-21.8179.2-74.3172.3-26.300113.8C301 H321C301-Q303 PolarHBondContact O-N 3.45Å; Q303-H321 PolarHBondContact OE1-CD2 3.38Å
304C95.8Very high95.7Very high56 Ų5673.6 Ų73.638%0.37840%0.395SS..THydrogen-bonded Turntrans-1447.1-17771.40000115.2C301 K306 H317 H321C301-C304 PolarHBondContact O-N 3.49Å; C301-C304 VanDerWaalsContact O-N 3.09Å; C304-K306 PolarHBondContact O-N 3.2Å; C304-H317 PolarHBondContact SG-NE2 3.09Å; C304-H321 PolarHBondContact SG-NE2 3.31Å; C304-H321 VanDerWaalsContact SG-NE2 3.44Å
305G95Very high95.7Very high41 Ų4174 Ų7442%0.42339%0.392SS..  trans67.6-2.9-178.400000115.3E300 C301 A307E300-G305 WeakPolarHBondContact OE1-CA 3.38Å; C301-G305 WeakPolarHBondContact O-CA 3.44Å; C301-G305 PolarHBondContact O-N 2.8Å; G305-A307 PolarHBondContact O-N 3.44Å
306K96.8Very high95.8Very high126 Ų12675 Ų7555%0.54838%0.382SS..  trans-67.3122.3179.7-73.9-175.6-179.41750110.6C301 C304 F308C301-K306 VanDerWaalsContact CB-O 3.3Å; C301-K306 WeakPolarHBondContact CB-O 3.44Å; C301-K306 PolarHBondContact N-O 2.91Å; C304-K306 PolarHBondContact O-N 3.2Å; K306-F308 HydrophobicContact CB-CE2 4.05Å; K306-F308 HydrophobicContact CB-CZ 4.2Å; K306-F308 WeakPolarHBondContact O-CE2 3.4Å
307A96.8Very high95.8Very high33 Ų3371.1 Ų71.127%0.27336%0.364SS..EExtended strand (participates in β ladder)trans-101.8146.8179.100000112.9K297 H299 E300 G305K297-A307 HydrophobicContact CB-CB 3.56Å; K297-A307 HydrophobicContact CD-CB 4.36Å; K297-A307 WeakPolarHBondContact CD-O 3.12Å; K297-A307 WeakPolarHBondContact O-CB 3.46Å; H299-A307 CarbonylContact O-C 3.54Å; H299-A307 WeakPolarHBondContact O-CA 3.45Å; E300-A307 HydrophobicContact CB-CB 4.39Å; E300-A307 HydrophobicContact CG-CB 4.39Å; G305-A307 PolarHBondContact O-N 3.44Å
308F96.6Very high95.8Very high42 Ų4268.5 Ų68.518%0.18435%0.352CS..EExtended strand (participates in β ladder)trans-127.5144.1-177.2-59.8-89.6000111.6K297 H299 K306 V310 N313 L314 H317K297-F308 CarbonylContact C-O 3.59Å; K297-F308 WeakPolarHBondContact CA-O 3.22Å; H299-F308 HydrophobicContact CB-CB 4.45Å; H299-F308 WeakPolarHBondContact CB-O 3.4Å; H299-F308 PolarHBondContact CD2-O 3.35Å; H299-F308 PolarHBondContact N-O 3.42Å; H299-F308 VanDerWaalsContact N-O 3.16Å; H299-F308 PolarHBondContact O-N 3.08Å; K306-F308 HydrophobicContact CB-CE2 4.05Å; K306-F308 HydrophobicContact CB-CZ 4.2Å; K306-F308 WeakPolarHBondContact O-CE2 3.4Å; F308-V310 PolarHBondContact O-N 3.41Å; F308-N313 HydrophobicContact CB-CB 4.16Å; F308-N313 HydrophobicContact CD1-CB 3.77Å; F308-N313 HydrophobicContact CG-CB 4.17Å; F308-L314 HydrophobicContact CB-CB 4.36Å; F308-L314 HydrophobicContact CD2-CB 3.82Å; F308-L314 HydrophobicContact CD2-CD1 3.84Å; F308-L314 HydrophobicContact CD2-CG 4.44Å; F308-L314 HydrophobicContact CE2-CD1 4Å; F308-L314 HydrophobicContact CG-CB 4.29Å; F308-H317 HydrophobicContact CE1-CB 4.05Å; F308-H317 HydrophobicContact CE2-CB 3.72Å; F308-H317 AromaticContact CE2-CD2 3.52Å; F308-H317 AromaticContact CE2-CG 3.51Å; F308-H317 HydrophobicContact CZ-CB 3.38Å; F308-H317 AromaticContact CZ-CD2 3.73Å; F308-H317 AromaticContact CZ-CG 3.24Å; F308-H317 AromaticContact CZ-ND1 3.53Å
309A95Very high95.9Very high23 Ų2367.5 Ų67.519%0.1934%0.339CS..SBendtrans-69.6-19.7175.400000113.1R291R291-A309 HydrophobicContact CB-CB 4.05Å; R291-A309 VanDerWaalsContact CD-O 3.25Å; R291-A309 WeakPolarHBondContact CD-O 3.4Å; R291-A309 PolarHBondContact NH1-O 3.18Å
310V95.5Very high95.8Very high37 Ų3770.4 Ų70.422%0.22436%0.355CS..SBendtrans-137.6132.2-175.6-173.80000110.5N288 H299 F308 Y312 N313 L314N288-V310 HydrophobicContact CB-CG2 3.92Å; H299-V310 VanDerWaalsContact CD2-C 3.48Å; F308-V310 PolarHBondContact O-N 3.41Å; V310-Y312 VanDerWaalsContact C-N 3.25Å; V310-Y312 PolarHBondContact O-N 2.88Å; V310-N313 WeakPolarHBondContact O-CB 3.35Å; V310-N313 PolarHBondContact O-N 2.85Å; V310-L314 PolarHBondContact O-N 3.26Å
311Q95.6Very high95.7Very high81 Ų8168.6 Ų68.638%0.37935%0.346SS..Hα-helixtrans-53.7-38-179-177.464.7200113.7H299 N313 L314 Q315H299-Q311 PolarHBondContact CD2-N 3.06Å; H299-Q311 PolarHBondContact ND1-OE1 3.34Å; H299-Q311 PolarHBondContact NE2-N 2.98Å; Q311-N313 VanDerWaalsContact C-N 3.27Å; Q311-N313 PolarHBondContact O-N 2.6Å; Q311-L314 WeakPolarHBondContact O-CB 3.41Å; Q311-L314 PolarHBondContact O-N 2.97Å; Q311-Q315 HydrophobicContact CG-CG 4.49Å; Q311-Q315 VanDerWaalsContact NE2-NE2 3.12Å; Q311-Q315 WeakPolarHBondContact O-CG 3.42Å; Q311-Q315 PolarHBondContact O-N 3.47Å
312Y94.4Very high95.5Very high153 Ų15372.1 Ų72.160%0.637%0.368SS*.Hα-helixtrans-58.1-39176.8171.7-99.7000112.5V310 Q315 K316V310-Y312 VanDerWaalsContact C-N 3.25Å; V310-Y312 PolarHBondContact O-N 2.88Å; Y312-Q315 PolarHBondContact O-N 3.4Å; Y312-K316 WeakPolarHBondContact O-CB 3.45Å; Y312-K316 PolarHBondContact O-N 3.05Å
313N95.9Very high95.5Very high71 Ų7167.2 Ų67.238%0.3835%0.353SS..Hα-helixtrans-69.3-37.3178.4-69.6-15.5000111.3F308 V310 Q311 K316 H317F308-N313 HydrophobicContact CB-CB 4.16Å; F308-N313 HydrophobicContact CD1-CB 3.77Å; F308-N313 HydrophobicContact CG-CB 4.17Å; V310-N313 WeakPolarHBondContact O-CB 3.35Å; V310-N313 PolarHBondContact O-N 2.85Å; Q311-N313 VanDerWaalsContact C-N 3.27Å; Q311-N313 PolarHBondContact O-N 2.6Å; N313-K316 PolarHBondContact O-N 3.2Å; N313-H317 WeakPolarHBondContact O-CB 3.48Å; N313-H317 PolarHBondContact O-N 3.4Å
314L96.3Very high95.5Very high7 Ų766 Ų664%0.03735%0.348CS..Hα-helixtrans-61.7-47.5172.1173.162.3000111.3H299 E300 C301 F308 V310 Q311 K316 H317 K318H299-L314 HydrophobicContact CB-CB 4.13Å; H299-L314 HydrophobicContact CB-CD2 3.89Å; E300-L314 WeakPolarHBondContact O-CD2 3.45Å; C301-L314 HydrophobicContact CB-CD1 3.59Å; F308-L314 HydrophobicContact CB-CB 4.36Å; F308-L314 HydrophobicContact CD2-CB 3.82Å; F308-L314 HydrophobicContact CD2-CD1 3.84Å; F308-L314 HydrophobicContact CD2-CG 4.44Å; F308-L314 HydrophobicContact CE2-CD1 4Å; F308-L314 HydrophobicContact CG-CB 4.29Å; V310-L314 PolarHBondContact O-N 3.26Å; Q311-L314 WeakPolarHBondContact O-CB 3.41Å; Q311-L314 PolarHBondContact O-N 2.97Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 2.86Å; L314-H317 CarbonylContact O-C 3.27Å; L314-H317 WeakPolarHBondContact O-CA 3.44Å; L314-H317 WeakPolarHBondContact O-CB 3.32Å; L314-H317 PolarHBondContact O-N 3.23Å; L314-H317 VanDerWaalsContact O-N 3.09Å; L314-K318 HydrophobicContact CD1-CG 4.27Å; L314-K318 WeakPolarHBondContact O-CG 3.49Å; L314-K318 PolarHBondContact O-N 3.02Å
315Q95.6Very high95.5Very high88 Ų8869.6 Ų69.641%0.41136%0.356SS..Hα-helixtrans-61.6-42.8179.3-67-60-29.800112.2Q311 Y312 H317 K318Q311-Q315 HydrophobicContact CG-CG 4.49Å; Q311-Q315 VanDerWaalsContact NE2-NE2 3.12Å; Q311-Q315 WeakPolarHBondContact O-CG 3.42Å; Q311-Q315 PolarHBondContact O-N 3.47Å; Y312-Q315 PolarHBondContact O-N 3.4Å; Q315-H317 VanDerWaalsContact C-N 3.3Å; Q315-H317 PolarHBondContact O-N 3.04Å; Q315-K318 PolarHBondContact O-N 3.29Å
316K95.5Very high95.5Very high71 Ų7171.2 Ų71.231%0.30936%0.359SS..Hα-helixtrans-61-41.2172.8179.6-176.1175.3-179.10111.6Y312 N313 L314 R319 Q338Y312-K316 WeakPolarHBondContact O-CB 3.45Å; Y312-K316 PolarHBondContact O-N 3.05Å; N313-K316 PolarHBondContact O-N 3.2Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 2.86Å; K316-R319 WeakPolarHBondContact O-CB 3.23Å; K316-Q338 VanDerWaalsContact NZ-CD 3.34Å
317H96Very high95.6Very high21 Ų2168.4 Ų68.410%0.09735%0.346CS..Hα-helixtrans-65.1-42.3178.2165.979.4000112.2C301 C304 F308 N313 L314 Q315 R319 I320 H321C301-H317 PolarHBondContact SG-NE2 3.46Å; C301-H317 VanDerWaalsContact SG-NE2 3.43Å; C304-H317 PolarHBondContact SG-NE2 3.09Å; F308-H317 HydrophobicContact CE1-CB 4.05Å; F308-H317 HydrophobicContact CE2-CB 3.72Å; F308-H317 AromaticContact CE2-CD2 3.52Å; F308-H317 AromaticContact CE2-CG 3.51Å; F308-H317 HydrophobicContact CZ-CB 3.38Å; F308-H317 AromaticContact CZ-CD2 3.73Å; F308-H317 AromaticContact CZ-CG 3.24Å; F308-H317 AromaticContact CZ-ND1 3.53Å; N313-H317 WeakPolarHBondContact O-CB 3.48Å; N313-H317 PolarHBondContact O-N 3.4Å; L314-H317 CarbonylContact O-C 3.27Å; L314-H317 WeakPolarHBondContact O-CA 3.44Å; L314-H317 WeakPolarHBondContact O-CB 3.32Å; L314-H317 PolarHBondContact O-N 3.23Å; L314-H317 VanDerWaalsContact O-N 3.09Å; Q315-H317 VanDerWaalsContact C-N 3.3Å; Q315-H317 PolarHBondContact O-N 3.04Å; H317-R319 PolarHBondContact O-N 3.27Å; H317-I320 WeakPolarHBondContact CE1-CD1 3.44Å; H317-I320 WeakPolarHBondContact ND1-CD1 3.49Å; H317-I320 VanDerWaalsContact O-CG1 3.24Å; H317-I320 WeakPolarHBondContact O-CG1 3.46Å; H317-I320 WeakPolarHBondContact O-CG2 3.43Å; H317-I320 PolarHBondContact O-N 2.83Å; H317-H321 AromaticContact CE1-NE2 3.77Å; H317-H321 AromaticContact NE2-CD2 3.98Å; H317-H321 AromaticContact NE2-NE2 3.19Å; H317-H321 PolarHBondContact NE2-NE2 3.44Å; H317-H321 VanDerWaalsContact NE2-NE2 3.19Å
318K95.7Very high95.6Very high74 Ų7473.3 Ų73.332%0.32236%0.363SS..Hα-helixtrans-53.4-27.3-179.8-75.5-175.4175.7-165.90113.7L314 Q315 I320 H321 T322L314-K318 HydrophobicContact CD1-CG 4.27Å; L314-K318 WeakPolarHBondContact O-CG 3.49Å; L314-K318 PolarHBondContact O-N 3.02Å; Q315-K318 PolarHBondContact O-N 3.29Å; K318-I320 PolarHBondContact O-N 3Å; K318-I320 VanDerWaalsContact O-N 3.17Å; K318-H321 PolarHBondContact O-N 3.26Å; K318-T322 PolarHBondContact O-N 3.47Å; K318-T322 VanDerWaalsContact O-N 3.16Å
319R96.3Very high95.6Very high56 Ų5671.5 Ų71.521%0.21136%0.356CS..Hα-helixtrans-61.3-20.3175.2-60.7-179-176.1166.50.4114.5K316 H317 H321 T322 G323 E324 S337K316-R319 WeakPolarHBondContact O-CB 3.23Å; H317-R319 PolarHBondContact O-N 3.27Å; R319-H321 VanDerWaalsContact C-N 3.26Å; R319-T322 WeakPolarHBondContact CA-OG1 3.39Å; R319-G323 WeakPolarHBondContact O-CA 3.4Å; R319-G323 PolarHBondContact O-N 3.3Å; R319-E324 HydrophobicContact CB-CB 4.49Å; R319-E324 HydrophobicContact CG-CB 4.3Å; R319-S337 PolarHBondContact NH1-O 2.79Å
320I95.4Very high95.5Very high106 Ų10676.3 Ų76.354%0.54438%0.378SS..Hα-helixtrans-69.2-30.7174.178.3178.8000111.4H317 K318H317-I320 WeakPolarHBondContact CE1-CD1 3.44Å; H317-I320 WeakPolarHBondContact ND1-CD1 3.49Å; H317-I320 VanDerWaalsContact O-CG1 3.24Å; H317-I320 WeakPolarHBondContact O-CG1 3.46Å; H317-I320 WeakPolarHBondContact O-CG2 3.43Å; H317-I320 PolarHBondContact O-N 2.83Å; K318-I320 PolarHBondContact O-N 3Å; K318-I320 VanDerWaalsContact O-N 3.17Å
321H95.4Very high95.5Very high71 Ų7179.9 Ų79.933%0.32939%0.392SS..Hα-helixtrans-88-39.5-178.1-56.3-55.4000111.2C301 Q303 C304 H317 K318 R319 G323C301-H321 PolarHBondContact SG-NE2 2.9Å; C301-H321 VanDerWaalsContact SG-NE2 3.37Å; Q303-H321 PolarHBondContact OE1-CD2 3.38Å; C304-H321 PolarHBondContact SG-NE2 3.31Å; C304-H321 VanDerWaalsContact SG-NE2 3.44Å; H317-H321 AromaticContact CE1-NE2 3.77Å; H317-H321 AromaticContact NE2-CD2 3.98Å; H317-H321 AromaticContact NE2-NE2 3.19Å; H317-H321 PolarHBondContact NE2-NE2 3.44Å; H317-H321 VanDerWaalsContact NE2-NE2 3.19Å; K318-H321 PolarHBondContact O-N 3.26Å; R319-H321 VanDerWaalsContact C-N 3.26Å; H321-G323 VanDerWaalsContact C-N 3.29Å
322T93.8Very high95.5Very high75 Ų7577.7 Ų77.746%0.4639%0.386SS..Hα-helixtrans-78.3-15.8177.363.80000113.1K318 R319 E324K318-T322 PolarHBondContact O-N 3.47Å; K318-T322 VanDerWaalsContact O-N 3.16Å; R319-T322 WeakPolarHBondContact CA-OG1 3.39Å; T322-E324 PolarHBondContact O-N 3.4Å; T322-E324 WeakPolarHBondContact OG1-CB 3.4Å; T322-E324 WeakPolarHBondContact OG1-CG 3.5Å; T322-E324 PolarHBondContact OG1-N 3.27Å
323G93.3Very high95.5Very high49 Ų4977.8 Ų77.851%0.50540%0.397SS..  trans69.64.4-173.400000114.3R319 H321 K325R319-G323 WeakPolarHBondContact O-CA 3.4Å; R319-G323 PolarHBondContact O-N 3.3Å; H321-G323 VanDerWaalsContact C-N 3.29Å; G323-K325 PolarHBondContact O-N 2.96Å
324E95.7Very high95.5Very high106 Ų10680.4 Ų80.450%0.49541%0.405SS..  trans-57.6129.6-176.5-80.9177.7-162.100112.5R319 T322 S337R319-E324 HydrophobicContact CB-CB 4.49Å; R319-E324 HydrophobicContact CG-CB 4.3Å; T322-E324 PolarHBondContact O-N 3.4Å; T322-E324 WeakPolarHBondContact OG1-CB 3.4Å; T322-E324 WeakPolarHBondContact OG1-CG 3.5Å; T322-E324 PolarHBondContact OG1-N 3.27Å; E324-S337 WeakPolarHBondContact O-CB 3.39Å
325K96Very high95.5Very high130 Ų13081.5 Ų81.557%0.56542%0.415SS*.  trans-125.974.3177.5-71.8166.2173-176.10111.1G323 Y327 A335 F336G323-K325 PolarHBondContact O-N 2.96Å; K325-Y327 PolarHBondContact O-N 3.12Å; K325-Y327 VanDerWaalsContact O-N 3.09Å; K325-A335 HydrophobicContact CB-CB 3.63Å; K325-A335 HydrophobicContact CD-CB 4.34Å; K325-A335 WeakPolarHBondContact CD-O 3.4Å; K325-F336 CarbonylContact C-O 3.6Å; K325-F336 VanDerWaalsContact C-O 3.31Å; K325-F336 WeakPolarHBondContact CA-O 3.45Å
326P94.9Very high95.6Very high75 Ų7579.2 Ų79.249%0.48740%0.404SS..  trans-69.3-10.1-172.2-19.533.5000115
327Y97.2Very high95.6Very high68 Ų6877.5 Ų77.527%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-108.391.8-174.9-53.6-74.8000110.2K325 A335 F336 K339K325-Y327 PolarHBondContact O-N 3.12Å; K325-Y327 VanDerWaalsContact O-N 3.09Å; Y327-A335 WeakPolarHBondContact O-CA 3.37Å; Y327-F336 WeakPolarHBondContact CB-O 3.37Å; Y327-F336 WeakPolarHBondContact CD2-O 3.46Å; Y327-F336 PolarHBondContact N-O 3.19Å; Y327-F336 VanDerWaalsContact N-O 3.15Å; Y327-F336 PolarHBondContact O-N 3.05Å; Y327-K339 HydrophobicContact CD1-CB 3.99Å; Y327-K339 HydrophobicContact CD1-CG 4.36Å; Y327-K339 HydrophobicContact CD2-CB 4.46Å; Y327-K339 VanDerWaalsContact CD2-N 3.32Å; Y327-K339 HydrophobicContact CE1-CB 3.8Å; Y327-K339 HydrophobicContact CE1-CG 4.36Å; Y327-K339 HydrophobicContact CE2-CB 4.26Å; Y327-K339 VanDerWaalsContact CE2-N 3.33Å; Y327-K339 HydrophobicContact CG-CB 4.32Å
328Q96.5Very high95.6Very high136 Ų13679 Ų7964%0.63641%0.408SS*.EExtended strand (participates in β ladder)trans-83.7141.2178.7-168174.5-3.100111.6
329C96.7Very high95.5Very high4 Ų481.4 Ų81.43%0.02742%0.418CS..  trans-75.1138.6166.9-168.50000110Q331 K334 L342 H345 H349C329-Q331 VanDerWaalsContact C-N 3.32Å; C329-Q331 PolarHBondContact SG-N 3.41Å; C329-K334 WeakPolarHBondContact CB-O 3.36Å; C329-K334 PolarHBondContact N-O 2.83Å; C329-L342 HydrophobicContact CB-CD1 3.87Å; C329-H345 PolarHBondContact SG-NE2 3.44Å; C329-H349 PolarHBondContact SG-NE2 3Å; C329-H349 VanDerWaalsContact SG-NE2 3.41Å
330N94.8Very high95.4Very high124 Ų12481.7 Ų81.766%0.66343%0.429SS*.SBendtrans-88.3-2.1176.764-43.7000113
331Q93.9Very high95.3Very high111 Ų11179.9 Ų79.952%0.51942%0.42SS..SBendtrans-115.1-6.2-178.7-69.4172-22.300112.8C329 H349C329-Q331 VanDerWaalsContact C-N 3.32Å; C329-Q331 PolarHBondContact SG-N 3.41Å; Q331-H349 PolarHBondContact OE1-CD2 3.31Å
332C95.7Very high95.3Very high36 Ų3677.4 Ų77.424%0.24341%0.409CS..SBendtrans-161.6171.9170.9680000110.6K334 H345 H349C332-K334 PolarHBondContact O-N 3.48Å; C332-H345 PolarHBondContact SG-NE2 3.09Å; C332-H349 PolarHBondContact SG-NE2 3.49Å
333D94.4Very high95.3Very high154 Ų15479.3 Ų79.382%0.82441%0.413SS*.SBendtrans-75.46.4-176.1-53.6-48.8000114.6A335D333-A335 PolarHBondContact O-N 3.23Å
334K96.7Very high95.3Very high127 Ų12781.7 Ų81.755%0.55241%0.407SS*.  trans-75.5125.1-179-66.2-176.8-178.1177.40110.7C329 C332 F336C329-K334 WeakPolarHBondContact CB-O 3.36Å; C329-K334 PolarHBondContact N-O 2.83Å; C332-K334 PolarHBondContact O-N 3.48Å; K334-F336 HydrophobicContact CB-CE2 3.84Å; K334-F336 HydrophobicContact CB-CZ 3.93Å
335A96.6Very high95.2Very high30 Ų3077.3 Ų77.325%0.24839%0.387CS..EExtended strand (participates in β ladder)trans-114.4149170.900000111.6K325 Y327 D333K325-A335 HydrophobicContact CB-CB 3.63Å; K325-A335 HydrophobicContact CD-CB 4.34Å; K325-A335 WeakPolarHBondContact CD-O 3.4Å; Y327-A335 WeakPolarHBondContact O-CA 3.37Å; D333-A335 PolarHBondContact O-N 3.23Å
336F96.8Very high95.1Very high40 Ų4075 Ų7518%0.17538%0.376CS..EExtended strand (participates in β ladder)trans-126.2146.9-174.9-57.9-92.3000111.1K325 Y327 K334 Q338 N341 L342 H345K325-F336 CarbonylContact C-O 3.6Å; K325-F336 VanDerWaalsContact C-O 3.31Å; K325-F336 WeakPolarHBondContact CA-O 3.45Å; Y327-F336 WeakPolarHBondContact CB-O 3.37Å; Y327-F336 WeakPolarHBondContact CD2-O 3.46Å; Y327-F336 PolarHBondContact N-O 3.19Å; Y327-F336 VanDerWaalsContact N-O 3.15Å; Y327-F336 PolarHBondContact O-N 3.05Å; K334-F336 HydrophobicContact CB-CE2 3.84Å; K334-F336 HydrophobicContact CB-CZ 3.93Å; F336-Q338 PolarHBondContact O-N 3.21Å; F336-N341 HydrophobicContact CB-CB 4.15Å; F336-N341 HydrophobicContact CD1-CB 3.74Å; F336-N341 HydrophobicContact CG-CB 4.18Å; F336-L342 HydrophobicContact CB-CB 4.36Å; F336-L342 HydrophobicContact CD2-CB 3.87Å; F336-L342 HydrophobicContact CD2-CD1 3.89Å; F336-L342 HydrophobicContact CD2-CG 4.49Å; F336-L342 HydrophobicContact CE2-CD1 4.05Å; F336-L342 HydrophobicContact CG-CB 4.29Å; F336-H345 HydrophobicContact CE1-CB 3.97Å; F336-H345 HydrophobicContact CE2-CB 3.79Å; F336-H345 AromaticContact CE2-CD2 3.24Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.3Å; F336-H345 AromaticContact CE2-CG 3.62Å; F336-H345 HydrophobicContact CZ-CB 3.36Å; F336-H345 AromaticContact CZ-CD2 3.39Å; F336-H345 WeakPolarHBondContact CZ-CD2 3.46Å; F336-H345 AromaticContact CZ-CG 3.27Å
337S95.8Very high95.1Very high34 Ų3474 Ų7424%0.23836%0.363CS..SBendtrans-75.8-14174.559.40000113.1R319 E324R319-S337 PolarHBondContact NH1-O 2.79Å; E324-S337 WeakPolarHBondContact O-CB 3.39Å
338Q95.3Very high94.9Very high54 Ų5474.9 Ų74.925%0.25238%0.376SS..SBendtrans-135.8138.3-177.1-52.9-176.429.700111.9K316 F336 S340 N341 L342K316-Q338 VanDerWaalsContact NZ-CD 3.34Å; F336-Q338 PolarHBondContact O-N 3.21Å; Q338-S340 VanDerWaalsContact C-N 3.32Å; Q338-S340 PolarHBondContact O-N 2.9Å; Q338-N341 HydrophobicContact CB-CB 4.48Å; Q338-N341 PolarHBondContact O-N 3.31Å; Q338-L342 PolarHBondContact O-N 3.39Å
339K95.2Very high94.8Very high124 Ų12472 Ų7254%0.53936%0.362SS..Hα-helixtrans-61.6-37179.5-172.8175.9-180176.50113.2Y327 N341 L342 Q343Y327-K339 HydrophobicContact CD1-CB 3.99Å; Y327-K339 HydrophobicContact CD1-CG 4.36Å; Y327-K339 HydrophobicContact CD2-CB 4.46Å; Y327-K339 VanDerWaalsContact CD2-N 3.32Å; Y327-K339 HydrophobicContact CE1-CB 3.8Å; Y327-K339 HydrophobicContact CE1-CG 4.36Å; Y327-K339 HydrophobicContact CE2-CB 4.26Å; Y327-K339 VanDerWaalsContact CE2-N 3.33Å; Y327-K339 HydrophobicContact CG-CB 4.32Å; K339-N341 VanDerWaalsContact C-N 3.28Å; K339-N341 PolarHBondContact O-N 3.04Å; K339-L342 PolarHBondContact O-N 2.66Å; K339-Q343 WeakPolarHBondContact O-CG 3.46Å; K339-Q343 PolarHBondContact O-N 3.37Å
340S92.5Very high94.6Very high62 Ų6275.6 Ų75.643%0.43438%0.384SS..Hα-helixtrans-61.5-37.8177.151.20000112.1Q338 Q343 Y344Q338-S340 VanDerWaalsContact C-N 3.32Å; Q338-S340 PolarHBondContact O-N 2.9Å; S340-Q343 PolarHBondContact O-N 3.15Å; S340-Y344 WeakPolarHBondContact O-CB 3.46Å; S340-Y344 PolarHBondContact O-N 3.33Å
341N94.6Very high94.5Very high68 Ų6872 Ų7236%0.36438%0.376SS..Hα-helixtrans-70.7-38.2178.6-64.42.6000110.8F336 Q338 K339 Y344 H345F336-N341 HydrophobicContact CB-CB 4.15Å; F336-N341 HydrophobicContact CD1-CB 3.74Å; F336-N341 HydrophobicContact CG-CB 4.18Å; Q338-N341 HydrophobicContact CB-CB 4.48Å; Q338-N341 PolarHBondContact O-N 3.31Å; K339-N341 VanDerWaalsContact C-N 3.28Å; K339-N341 PolarHBondContact O-N 3.04Å; N341-Y344 PolarHBondContact O-N 2.82Å; N341-H345 VanDerWaalsContact O-CB 3.26Å; N341-H345 WeakPolarHBondContact O-CB 3.36Å; N341-H345 PolarHBondContact O-N 2.98Å
342L95.5Very high94.5Very high19 Ų1971.9 Ų71.910%0.09938%0.375CS..Hα-helixtrans-61.7-46.6170.5173.662.5000111.5C329 F336 Q338 K339 Y344 H345 K346C329-L342 HydrophobicContact CB-CD1 3.87Å; F336-L342 HydrophobicContact CB-CB 4.36Å; F336-L342 HydrophobicContact CD2-CB 3.87Å; F336-L342 HydrophobicContact CD2-CD1 3.89Å; F336-L342 HydrophobicContact CD2-CG 4.49Å; F336-L342 HydrophobicContact CE2-CD1 4.05Å; F336-L342 HydrophobicContact CG-CB 4.29Å; Q338-L342 PolarHBondContact O-N 3.39Å; K339-L342 PolarHBondContact O-N 2.66Å; L342-Y344 VanDerWaalsContact C-N 3.34Å; L342-Y344 PolarHBondContact O-N 3.45Å; L342-H345 PolarHBondContact O-N 3.2Å; L342-K346 HydrophobicContact CD1-CG 4.3Å; L342-K346 WeakPolarHBondContact O-CG 3.46Å; L342-K346 PolarHBondContact O-N 2.94Å
343Q93.5Very high94.4Very high114 Ų11476 Ų7653%0.53339%0.389SS..Hα-helixtrans-60.4-43.7178-76.6179.7-18.400112.1K339 S340 K346K339-Q343 WeakPolarHBondContact O-CG 3.46Å; K339-Q343 PolarHBondContact O-N 3.37Å; S340-Q343 PolarHBondContact O-N 3.15Å; Q343-K346 PolarHBondContact O-N 2.83Å
344Y92.7Very high94.3Very high99 Ų9972.2 Ų72.239%0.38837%0.373SS..Hα-helixtrans-61.5-45.2173.9172.9-107.7000111.5S340 N341 L342 K346 R347 T365 A366S340-Y344 WeakPolarHBondContact O-CB 3.46Å; S340-Y344 PolarHBondContact O-N 3.33Å; N341-Y344 PolarHBondContact O-N 2.82Å; L342-Y344 VanDerWaalsContact C-N 3.34Å; L342-Y344 PolarHBondContact O-N 3.45Å; Y344-K346 VanDerWaalsContact C-N 3.33Å; Y344-K346 PolarHBondContact O-N 2.85Å; Y344-R347 VanDerWaalsContact O-CB 3.3Å; Y344-R347 WeakPolarHBondContact O-CB 2.83Å; Y344-R347 PolarHBondContact O-N 3.03Å; Y344-R347 VanDerWaalsContact O-N 3.17Å; Y344-T365 PolarHBondContact OH-OG1 3.03Å; Y344-A366 HydrophobicContact CD2-CB 4.44Å; Y344-A366 HydrophobicContact CE2-CB 3.6Å
345H94.3Very high94.2Very high14 Ų1469.6 Ų69.67%0.06536%0.36CS..Hα-helixtrans-61.8-38.2177.3166.953.9000112.6C329 C332 F336 N341 L342 R347 T348 H349C329-H345 PolarHBondContact SG-NE2 3.44Å; C332-H345 PolarHBondContact SG-NE2 3.09Å; F336-H345 HydrophobicContact CE1-CB 3.97Å; F336-H345 HydrophobicContact CE2-CB 3.79Å; F336-H345 AromaticContact CE2-CD2 3.24Å; F336-H345 WeakPolarHBondContact CE2-CD2 3.3Å; F336-H345 AromaticContact CE2-CG 3.62Å; F336-H345 HydrophobicContact CZ-CB 3.36Å; F336-H345 AromaticContact CZ-CD2 3.39Å; F336-H345 WeakPolarHBondContact CZ-CD2 3.46Å; F336-H345 AromaticContact CZ-CG 3.27Å; N341-H345 VanDerWaalsContact O-CB 3.26Å; N341-H345 WeakPolarHBondContact O-CB 3.36Å; N341-H345 PolarHBondContact O-N 2.98Å; L342-H345 PolarHBondContact O-N 3.2Å; H345-R347 PolarHBondContact O-N 3.24Å; H345-T348 PolarHBondContact ND1-OG1 3.05Å; H345-T348 WeakPolarHBondContact O-CB 3.18Å; H345-T348 PolarHBondContact O-N 3.2Å; H345-T348 PolarHBondContact O-OG1 3.39Å; H345-H349 AromaticContact CE1-NE2 3.34Å; H345-H349 PolarHBondContact CE1-NE2 3.18Å; H345-H349 VanDerWaalsContact CE1-NE2 3.34Å; H345-H349 AromaticContact NE2-CD2 3.93Å; H345-H349 AromaticContact NE2-NE2 3.22Å; H345-H349 PolarHBondContact NE2-NE2 3.02Å
346K94.2Very high94.1Very high81 Ų8173.6 Ų73.635%0.35237%0.374SS..Hα-helixtrans-55.9-28.3176.8-76.5-174.4171.4-158.70113.2L342 Q343 Y344 T348 H349 T350L342-K346 HydrophobicContact CD1-CG 4.3Å; L342-K346 WeakPolarHBondContact O-CG 3.46Å; L342-K346 PolarHBondContact O-N 2.94Å; Q343-K346 PolarHBondContact O-N 2.83Å; Y344-K346 VanDerWaalsContact C-N 3.33Å; Y344-K346 PolarHBondContact O-N 2.85Å; K346-T348 PolarHBondContact O-N 2.88Å; K346-H349 PolarHBondContact O-N 3.35Å; K346-T350 PolarHBondContact O-N 3.37Å
347R94.4Very high94.1Very high55 Ų5571.8 Ų71.821%0.20837%0.366CS..Hα-helixtrans-64.3-22.1174-58.8179.1-179.2161.2-0.1113.6Y344 H345 H349 T350 G351 E352 T365Y344-R347 VanDerWaalsContact O-CB 3.3Å; Y344-R347 WeakPolarHBondContact O-CB 2.83Å; Y344-R347 PolarHBondContact O-N 3.03Å; Y344-R347 VanDerWaalsContact O-N 3.17Å; H345-R347 PolarHBondContact O-N 3.24Å; R347-H349 PolarHBondContact O-N 2.74Å; R347-T350 WeakPolarHBondContact CA-OG1 3.35Å; R347-G351 WeakPolarHBondContact O-CA 3.28Å; R347-G351 PolarHBondContact O-N 2.88Å; R347-E352 HydrophobicContact CB-CB 4.45Å; R347-E352 HydrophobicContact CG-CB 4.3Å; R347-T365 PolarHBondContact NH1-O 3.42Å
348T92.9Very high93.9Very high87 Ų8777.3 Ų77.353%0.53439%0.393SS..Hα-helixtrans-72.3-22.2174.169.50000112.4H345 K346H345-T348 PolarHBondContact ND1-OG1 3.05Å; H345-T348 WeakPolarHBondContact O-CB 3.18Å; H345-T348 PolarHBondContact O-N 3.2Å; H345-T348 PolarHBondContact O-OG1 3.39Å; K346-T348 PolarHBondContact O-N 2.88Å
349H94.5Very high93.7Very high74 Ų7480.9 Ų80.934%0.34341%0.41SS..Hα-helixtrans-88.9-38.9174.8-62.6-65000112C329 Q331 C332 H345 K346 R347C329-H349 PolarHBondContact SG-NE2 3Å; C329-H349 VanDerWaalsContact SG-NE2 3.41Å; Q331-H349 PolarHBondContact OE1-CD2 3.31Å; C332-H349 PolarHBondContact SG-NE2 3.49Å; H345-H349 AromaticContact CE1-NE2 3.34Å; H345-H349 PolarHBondContact CE1-NE2 3.18Å; H345-H349 VanDerWaalsContact CE1-NE2 3.34Å; H345-H349 AromaticContact NE2-CD2 3.93Å; H345-H349 AromaticContact NE2-NE2 3.22Å; H345-H349 PolarHBondContact NE2-NE2 3.02Å; K346-H349 PolarHBondContact O-N 3.35Å; R347-H349 PolarHBondContact O-N 2.74Å
350T92.8Very high93.7Very high80 Ų8077.6 Ų77.649%0.49140%0.402SS..Hα-helixtrans-82.8-17.5-179.761.70000113.5K346 R347 E352K346-T350 PolarHBondContact O-N 3.37Å; R347-T350 WeakPolarHBondContact CA-OG1 3.35Å; T350-E352 PolarHBondContact O-N 3.39Å; T350-E352 WeakPolarHBondContact OG1-CB 3.5Å; T350-E352 WeakPolarHBondContact OG1-CG 3.49Å; T350-E352 PolarHBondContact OG1-N 2.88Å
351G91.4Very high93.7Very high48 Ų4876.5 Ų76.550%0.49540%0.4SS..  trans72.63.8-172.700000114.1R347 K353R347-G351 WeakPolarHBondContact O-CA 3.28Å; R347-G351 PolarHBondContact O-N 2.88Å; G351-K353 PolarHBondContact O-N 3.3Å
352E93.9Very high93.7Very high109 Ų10979.4 Ų79.451%0.50941%0.41SS..  trans-57.9128.2-178.4-79.5177.5-167.700112.2R347 T350R347-E352 HydrophobicContact CB-CB 4.45Å; R347-E352 HydrophobicContact CG-CB 4.3Å; T350-E352 PolarHBondContact O-N 3.39Å; T350-E352 WeakPolarHBondContact OG1-CB 3.5Å; T350-E352 WeakPolarHBondContact OG1-CG 3.49Å; T350-E352 PolarHBondContact OG1-N 2.88Å
353K93.9Very high93.7Very high122 Ų12280.1 Ų80.153%0.5342%0.418SS..  trans-124.877.1176.9-70.2168.6176.8-175.90110.7G351 Y355 A363 F364 T365G351-K353 PolarHBondContact O-N 3.3Å; K353-Y355 PolarHBondContact O-N 3.37Å; K353-Y355 VanDerWaalsContact O-N 3.15Å; K353-A363 HydrophobicContact CB-CB 3.59Å; K353-A363 HydrophobicContact CD-CB 4.29Å; K353-A363 WeakPolarHBondContact CD-O 3.4Å; K353-F364 CarbonylContact C-O 3.59Å; K353-F364 VanDerWaalsContact C-O 3.31Å; K353-F364 WeakPolarHBondContact CA-O 3.35Å; K353-T365 HydrophobicContact CG-CG2 3.82Å
354P92.3Very high93.7Very high75 Ų7576.8 Ų76.849%0.48740%0.402SS..  trans-71-10.8-171.6-19.433.4000115.1
355Y94.5Very high93.6Very high72 Ų7273.7 Ų73.728%0.28239%0.394SS..EExtended strand (participates in β ladder)trans-106.594.2-173.9-55.7-73.1000110.3K353 A363 F364 T365 H367K353-Y355 PolarHBondContact O-N 3.37Å; K353-Y355 VanDerWaalsContact O-N 3.15Å; Y355-A363 CarbonylContact O-C 3.52Å; Y355-A363 WeakPolarHBondContact O-CA 3.48Å; Y355-F364 WeakPolarHBondContact CD2-O 3.45Å; Y355-F364 PolarHBondContact N-O 3.08Å; Y355-F364 PolarHBondContact O-N 2.97Å; Y355-T365 WeakPolarHBondContact CE2-O 3.43Å; Y355-H367 HydrophobicContact CD1-CB 4.04Å; Y355-H367 HydrophobicContact CD2-CB 4.45Å; Y355-H367 VanDerWaalsContact CD2-N 3.29Å; Y355-H367 HydrophobicContact CE1-CB 3.82Å; Y355-H367 HydrophobicContact CE2-CB 4.21Å; Y355-H367 VanDerWaalsContact CE2-N 3.29Å; Y355-H367 HydrophobicContact CG-CB 4.36Å
356E95.5Very high93.4Very high115 Ų11573.4 Ų73.454%0.53739%0.394SS..EExtended strand (participates in β ladder)trans-90.2142179-163.8177.3159.200112.2
357C95.3Very high93.3Very high1 Ų174.1 Ų74.11%0.00740%0.398CS..  trans-86109.2170.6-175.50000110.5Q359 C360 G361 K362 F364 L370 H373 H377C357-Q359 PolarHBondContact O-N 3.02Å; C357-C360 PolarHBondContact O-N 2.92Å; C357-C360 VanDerWaalsContact O-N 3.13Å; C357-G361 WeakPolarHBondContact O-CA 3.11Å; C357-G361 PolarHBondContact O-N 3.47Å; C357-K362 WeakPolarHBondContact CB-O 3.43Å; C357-K362 PolarHBondContact N-O 3.41Å; C357-F364 HydrophobicContact CB-CE2 4.47Å; C357-L370 HydrophobicContact CB-CD1 3.59Å; C357-H373 PolarHBondContact SG-NE2 3.27Å; C357-H373 VanDerWaalsContact SG-NE2 3.37Å; C357-H377 PolarHBondContact SG-NE2 2.87Å
358N93.2Very high93.1Very high151 Ų15175.3 Ų75.381%0.80741%0.414SS*.THydrogen-bonded Turntrans-58.7-18.6179.1-58.6-0.6000114.7
359Q91.3Very high93Very high129 Ų12973.2 Ų73.260%0.60340%0.403SS*.THydrogen-bonded Turntrans-86.5-23.6-179.9-73.7175.8-24.200113.7C357 H377C357-Q359 PolarHBondContact O-N 3.02Å; Q359-H377 PolarHBondContact OE1-CD2 3.42Å
360C94.3Very high93Very high54 Ų5470.2 Ų70.237%0.36539%0.389SS..THydrogen-bonded Turntrans-143.36.1-177.870.10000115.4C357 K362 H373 H377C357-C360 PolarHBondContact O-N 2.92Å; C357-C360 VanDerWaalsContact O-N 3.13Å; C360-K362 PolarHBondContact O-N 3.37Å; C360-H373 VanDerWaalsContact SG-CE1 3.52Å; C360-H373 PolarHBondContact SG-NE2 3.29Å; C360-H377 PolarHBondContact SG-NE2 3.48Å
361G92.8Very high92.9Very high39 Ų3970.2 Ų70.240%0.40238%0.384SS..  trans69.4-1.4-179.600000115C357 A363C357-G361 WeakPolarHBondContact O-CA 3.11Å; C357-G361 PolarHBondContact O-N 3.47Å; G361-A363 PolarHBondContact O-N 3.15Å
362K94.8Very high92.8Very high130 Ų13070.6 Ų70.657%0.56537%0.374SS*.  trans-66.8123179.1-72-176.8-178.9178.60110.3C357 C360 F364C357-K362 WeakPolarHBondContact CB-O 3.43Å; C357-K362 PolarHBondContact N-O 3.41Å; C360-K362 PolarHBondContact O-N 3.37Å; K362-F364 HydrophobicContact CB-CE2 3.91Å; K362-F364 HydrophobicContact CB-CZ 4.02Å; K362-F364 WeakPolarHBondContact O-CD2 3.4Å; K362-F364 VanDerWaalsContact O-CE2 3.25Å; K362-F364 WeakPolarHBondContact O-CE2 3.42Å
363A94.6Very high92.7Very high34 Ų3466.7 Ų66.728%0.28136%0.355SS..EExtended strand (participates in β ladder)trans-99.9144.3178.900000112.4K353 Y355 G361K353-A363 HydrophobicContact CB-CB 3.59Å; K353-A363 HydrophobicContact CD-CB 4.29Å; K353-A363 WeakPolarHBondContact CD-O 3.4Å; Y355-A363 CarbonylContact O-C 3.52Å; Y355-A363 WeakPolarHBondContact O-CA 3.48Å; G361-A363 PolarHBondContact O-N 3.15Å
364F93.2Very high92.6Very high43 Ų4364.3 Ų64.319%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-127.4149.4-176.7-58.9-89.6000111.4K353 Y355 C357 K362 A366 L370 H373K353-F364 CarbonylContact C-O 3.59Å; K353-F364 VanDerWaalsContact C-O 3.31Å; K353-F364 WeakPolarHBondContact CA-O 3.35Å; Y355-F364 WeakPolarHBondContact CD2-O 3.45Å; Y355-F364 PolarHBondContact N-O 3.08Å; Y355-F364 PolarHBondContact O-N 2.97Å; C357-F364 HydrophobicContact CB-CE2 4.47Å; K362-F364 HydrophobicContact CB-CE2 3.91Å; K362-F364 HydrophobicContact CB-CZ 4.02Å; K362-F364 WeakPolarHBondContact O-CD2 3.4Å; K362-F364 VanDerWaalsContact O-CE2 3.25Å; K362-F364 WeakPolarHBondContact O-CE2 3.42Å; F364-A366 VanDerWaalsContact C-N 3.33Å; F364-L370 HydrophobicContact CB-CB 4.39Å; F364-L370 HydrophobicContact CD2-CB 3.87Å; F364-L370 HydrophobicContact CD2-CD1 3.85Å; F364-L370 HydrophobicContact CD2-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 3.97Å; F364-L370 HydrophobicContact CG-CB 4.31Å; F364-H373 HydrophobicContact CE1-CB 3.99Å; F364-H373 HydrophobicContact CE2-CB 3.83Å; F364-H373 AromaticContact CE2-CD2 3.38Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.41Å; F364-H373 AromaticContact CE2-CG 3.58Å; F364-H373 HydrophobicContact CZ-CB 3.4Å; F364-H373 AromaticContact CZ-CD2 3.53Å; F364-H373 AromaticContact CZ-CG 3.23Å; F364-H373 AromaticContact CZ-ND1 3.73Å
365T92.1Very high92.6Very high35 Ų3563.4 Ų63.422%0.21533%0.332CS..SBendtrans-75.2-24.3176.456.30000112.5Y344 R347 K353 Y355Y344-T365 PolarHBondContact OH-OG1 3.03Å; R347-T365 PolarHBondContact NH1-O 3.42Å; K353-T365 HydrophobicContact CG-CG2 3.82Å; Y355-T365 WeakPolarHBondContact CE2-O 3.43Å
366A90.4Very high92.3Very high8 Ų865.8 Ų65.87%0.06635%0.347CS..SBendtrans-125.8141.8-178.300000112.2Y344 F364 C368 S369 L370Y344-A366 HydrophobicContact CD2-CB 4.44Å; Y344-A366 HydrophobicContact CE2-CB 3.6Å; F364-A366 VanDerWaalsContact C-N 3.33Å; A366-C368 VanDerWaalsContact C-N 3.32Å; A366-C368 PolarHBondContact O-N 3Å; A366-S369 WeakPolarHBondContact O-CB 3.45Å; A366-S369 PolarHBondContact O-N 3.42Å; A366-L370 PolarHBondContact O-N 3.32Å
367H92Very high92.1Very high96 Ų9664 Ų6444%0.44434%0.339SS..Hα-helixtrans-61.5-38.8175.2177.5-102.7000112.3Y355 S369 L370 Q371Y355-H367 HydrophobicContact CD1-CB 4.04Å; Y355-H367 HydrophobicContact CD2-CB 4.45Å; Y355-H367 VanDerWaalsContact CD2-N 3.29Å; Y355-H367 HydrophobicContact CE1-CB 3.82Å; Y355-H367 HydrophobicContact CE2-CB 4.21Å; Y355-H367 VanDerWaalsContact CE2-N 3.29Å; Y355-H367 HydrophobicContact CG-CB 4.36Å; H367-S369 VanDerWaalsContact C-N 3.3Å; H367-S369 PolarHBondContact O-N 2.99Å; H367-L370 WeakPolarHBondContact O-CB 3.24Å; H367-L370 PolarHBondContact O-N 3.3Å; H367-Q371 VanDerWaalsContact CE1-CG 3.43Å; H367-Q371 WeakPolarHBondContact CE1-CG 3.45Å; H367-Q371 PolarHBondContact CE1-NE2 2.91Å; H367-Q371 VanDerWaalsContact CE1-NE2 3.32Å; H367-Q371 PolarHBondContact NE2-NE2 2.94Å; H367-Q371 WeakPolarHBondContact O-CG 3.47Å; H367-Q371 PolarHBondContact O-N 3.1Å
368C88.8Confident91.9Very high79 Ų7967.9 Ų67.953%0.53436%0.362SS..Hα-helixtrans-63.2-36.217855.90000112.5A366 Q371 I372A366-C368 VanDerWaalsContact C-N 3.32Å; A366-C368 PolarHBondContact O-N 3Å; C368-Q371 PolarHBondContact O-N 3.16Å; C368-I372 WeakPolarHBondContact O-CB 3.48Å; C368-I372 VanDerWaalsContact O-CG1 3.25Å; C368-I372 WeakPolarHBondContact O-CG1 3.31Å; C368-I372 PolarHBondContact O-N 3.09Å
369S91.5Very high91.7Very high44 Ų4463 Ų6331%0.30835%0.348SS..Hα-helixtrans-64.8-41.3174.8-57.40000111.5A366 H367 H373A366-S369 WeakPolarHBondContact O-CB 3.45Å; A366-S369 PolarHBondContact O-N 3.42Å; H367-S369 VanDerWaalsContact C-N 3.3Å; H367-S369 PolarHBondContact O-N 2.99Å; S369-H373 VanDerWaalsContact O-CB 3.26Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.36Å
370L93.3Very high91.7Very high11 Ų1162.3 Ų62.36%0.05835%0.345CS..Hα-helixtrans-61.8-46.2172.8173.362.3000111.7C357 F364 A366 H367 I372 H373 K374C357-L370 HydrophobicContact CB-CD1 3.59Å; F364-L370 HydrophobicContact CB-CB 4.39Å; F364-L370 HydrophobicContact CD2-CB 3.87Å; F364-L370 HydrophobicContact CD2-CD1 3.85Å; F364-L370 HydrophobicContact CD2-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 3.97Å; F364-L370 HydrophobicContact CG-CB 4.31Å; A366-L370 PolarHBondContact O-N 3.32Å; H367-L370 WeakPolarHBondContact O-CB 3.24Å; H367-L370 PolarHBondContact O-N 3.3Å; L370-I372 VanDerWaalsContact C-N 3.34Å; L370-I372 PolarHBondContact O-N 3.07Å; L370-H373 WeakPolarHBondContact O-CB 3.45Å; L370-H373 PolarHBondContact O-N 2.93Å; L370-H373 VanDerWaalsContact O-N 3.17Å; L370-K374 HydrophobicContact CD1-CG 4.24Å; L370-K374 WeakPolarHBondContact O-CG 3.46Å; L370-K374 PolarHBondContact O-N 3.11Å
371Q91.8Very high91.5Very high80 Ų8065 Ų6537%0.37435%0.35SS..Hα-helixtrans-61.5-42.8179.9-69.6-62.2-27.500112.3H367 C368 H373 K374H367-Q371 VanDerWaalsContact CE1-CG 3.43Å; H367-Q371 WeakPolarHBondContact CE1-CG 3.45Å; H367-Q371 PolarHBondContact CE1-NE2 2.91Å; H367-Q371 VanDerWaalsContact CE1-NE2 3.32Å; H367-Q371 PolarHBondContact NE2-NE2 2.94Å; H367-Q371 WeakPolarHBondContact O-CG 3.47Å; H367-Q371 PolarHBondContact O-N 3.1Å; C368-Q371 PolarHBondContact O-N 3.16Å; Q371-H373 VanDerWaalsContact C-N 3.34Å; Q371-K374 PolarHBondContact O-N 3.38Å
372I90Very high91.4Very high56 Ų5666.7 Ų66.729%0.28735%0.354SS..Hα-helixtrans-63.7-43.2174.6-70.7168.7000110.5C368 L370 K374 R375 H394C368-I372 WeakPolarHBondContact O-CB 3.48Å; C368-I372 VanDerWaalsContact O-CG1 3.25Å; C368-I372 WeakPolarHBondContact O-CG1 3.31Å; C368-I372 PolarHBondContact O-N 3.09Å; L370-I372 VanDerWaalsContact C-N 3.34Å; L370-I372 PolarHBondContact O-N 3.07Å; I372-K374 PolarHBondContact O-N 2.81Å; I372-R375 WeakPolarHBondContact O-CB 3.41Å; I372-R375 PolarHBondContact O-N 3.24Å; I372-H394 WeakPolarHBondContact CG2-CD2 3.44Å; I372-H394 VanDerWaalsContact CG2-CE1 3.48Å; I372-H394 WeakPolarHBondContact CG2-CE1 2.98Å; I372-H394 WeakPolarHBondContact CG2-NE2 3.12Å
373H91.9Very high91.3Very high26 Ų2664.1 Ų64.112%0.1234%0.341CS..Hα-helixtrans-61.8-40.5177.1164.869.2000112.7C357 C360 F364 S369 L370 Q371 R375 M376 H377C357-H373 PolarHBondContact SG-NE2 3.27Å; C357-H373 VanDerWaalsContact SG-NE2 3.37Å; C360-H373 VanDerWaalsContact SG-CE1 3.52Å; C360-H373 PolarHBondContact SG-NE2 3.29Å; F364-H373 HydrophobicContact CE1-CB 3.99Å; F364-H373 HydrophobicContact CE2-CB 3.83Å; F364-H373 AromaticContact CE2-CD2 3.38Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.41Å; F364-H373 AromaticContact CE2-CG 3.58Å; F364-H373 HydrophobicContact CZ-CB 3.4Å; F364-H373 AromaticContact CZ-CD2 3.53Å; F364-H373 AromaticContact CZ-CG 3.23Å; F364-H373 AromaticContact CZ-ND1 3.73Å; S369-H373 VanDerWaalsContact O-CB 3.26Å; S369-H373 WeakPolarHBondContact O-CB 3.42Å; S369-H373 PolarHBondContact O-N 3.36Å; L370-H373 WeakPolarHBondContact O-CB 3.45Å; L370-H373 PolarHBondContact O-N 2.93Å; L370-H373 VanDerWaalsContact O-N 3.17Å; Q371-H373 VanDerWaalsContact C-N 3.34Å; H373-R375 PolarHBondContact O-N 3.25Å; H373-R375 VanDerWaalsContact O-N 3.15Å; H373-M376 VanDerWaalsContact O-CB 3.22Å; H373-M376 WeakPolarHBondContact O-CB 3.47Å; H373-M376 PolarHBondContact O-N 3.11Å; H373-H377 AromaticContact CE1-NE2 3.55Å; H373-H377 AromaticContact NE2-CD2 3.94Å; H373-H377 AromaticContact NE2-NE2 3.23Å; H373-H377 PolarHBondContact NE2-NE2 2.83Å
374K91.9Very high91.3Very high73 Ų7367.9 Ų67.932%0.31735%0.353SS..Hα-helixtrans-57.2-29.8176.9-76.9-175.8175-169.90113L370 Q371 I372 M376 H377 T378L370-K374 HydrophobicContact CD1-CG 4.24Å; L370-K374 WeakPolarHBondContact O-CG 3.46Å; L370-K374 PolarHBondContact O-N 3.11Å; Q371-K374 PolarHBondContact O-N 3.38Å; I372-K374 PolarHBondContact O-N 2.81Å; K374-M376 PolarHBondContact O-N 3.17Å; K374-H377 WeakPolarHBondContact O-CB 3.49Å; K374-H377 PolarHBondContact O-N 3.09Å; K374-T378 PolarHBondContact O-N 3.26Å
375R92.4Very high91.3Very high56 Ų5665.9 Ų65.921%0.21134%0.344CS..Hα-helixtrans-64-21.3174.7-62.4177.8-179167.90.6113.6I372 H373 H377 T378 G379 E380 V393I372-R375 WeakPolarHBondContact O-CB 3.41Å; I372-R375 PolarHBondContact O-N 3.24Å; H373-R375 PolarHBondContact O-N 3.25Å; H373-R375 VanDerWaalsContact O-N 3.15Å; R375-H377 VanDerWaalsContact C-N 3.27Å; R375-T378 WeakPolarHBondContact CA-OG1 3.41Å; R375-G379 CarbonylContact O-C 3.3Å; R375-G379 WeakPolarHBondContact O-CA 3.07Å; R375-G379 PolarHBondContact O-N 3.5Å; R375-E380 HydrophobicContact CB-CB 4.29Å; R375-E380 HydrophobicContact CG-CB 4.2Å; R375-E380 PolarHBondContact O-N 3.07Å; R375-V393 HydrophobicContact CB-CG1 3.54Å; R375-V393 HydrophobicContact CG-CG1 4.42Å; R375-V393 PolarHBondContact NH1-O 3.27Å; R375-V393 VanDerWaalsContact NH1-O 3.07Å
376M88.3Confident91.3Very high122 Ų12271.3 Ų71.360%0.60137%0.372SS*.Hα-helixtrans-69.8-27.8172.5-62.4-59.7-57.200112.1H373 K374 V393H373-M376 VanDerWaalsContact O-CB 3.22Å; H373-M376 WeakPolarHBondContact O-CB 3.47Å; H373-M376 PolarHBondContact O-N 3.11Å; K374-M376 PolarHBondContact O-N 3.17Å; M376-V393 HydrophobicContact SD-CG1 4.3Å; M376-V393 HydrophobicContact SD-CG2 4.19Å
377H91.3Very high91.2Very high78 Ų7876.5 Ų76.536%0.36140%0.395SS..Hα-helixtrans-82.5-37.8175.9-62-58.8000112C357 Q359 C360 H373 K374 R375C357-H377 PolarHBondContact SG-NE2 2.87Å; Q359-H377 PolarHBondContact OE1-CD2 3.42Å; C360-H377 PolarHBondContact SG-NE2 3.48Å; H373-H377 AromaticContact CE1-NE2 3.55Å; H373-H377 AromaticContact NE2-CD2 3.94Å; H373-H377 AromaticContact NE2-NE2 3.23Å; H373-H377 PolarHBondContact NE2-NE2 2.83Å; K374-H377 WeakPolarHBondContact O-CB 3.49Å; K374-H377 PolarHBondContact O-N 3.09Å; R375-H377 VanDerWaalsContact C-N 3.27Å
378T90.3Very high91.3Very high82 Ų8274.7 Ų74.750%0.50339%0.392SS..Hα-helixtrans-83.1-16.517963.10000113.4K374 R375 E380K374-T378 PolarHBondContact O-N 3.26Å; R375-T378 WeakPolarHBondContact CA-OG1 3.41Å; T378-E380 PolarHBondContact O-N 3.44Å; T378-E380 WeakPolarHBondContact OG1-CB 3.06Å; T378-E380 WeakPolarHBondContact OG1-CG 3.12Å; T378-E380 PolarHBondContact OG1-N 3.06Å
379G88.2Confident91.4Very high49 Ų4972.5 Ų72.551%0.50538%0.384SS..  trans73.56-172.500000114.1R375 K381R375-G379 CarbonylContact O-C 3.3Å; R375-G379 WeakPolarHBondContact O-CA 3.07Å; R375-G379 PolarHBondContact O-N 3.5Å; G379-K381 PolarHBondContact O-N 3.2Å
380E91.2Very high91.5Very high113 Ų11376.4 Ų76.453%0.52840%0.395SS..  trans-62124.4-178-80178.9-16300112.6R375 T378 P382R375-E380 HydrophobicContact CB-CB 4.29Å; R375-E380 HydrophobicContact CG-CB 4.2Å; R375-E380 PolarHBondContact O-N 3.07Å; T378-E380 PolarHBondContact O-N 3.44Å; T378-E380 WeakPolarHBondContact OG1-CB 3.06Å; T378-E380 WeakPolarHBondContact OG1-CG 3.12Å; T378-E380 PolarHBondContact OG1-N 3.06Å; E380-P382 WeakPolarHBondContact O-CD 3.25Å
381K91.6Very high91.5Very high111 Ų11178.8 Ų78.848%0.48341%0.41SS..  trans-124.874.9178.2-67.8174.5-175.6177.60110.7G379 Y383 T391 F392 V393G379-K381 PolarHBondContact O-N 3.2Å; K381-Y383 PolarHBondContact O-N 2.81Å; K381-T391 WeakPolarHBondContact CB-OG1 3.44Å; K381-T391 WeakPolarHBondContact CD-OG1 3.37Å; K381-T391 WeakPolarHBondContact O-CB 3.48Å; K381-F392 CarbonylContact C-O 3.31Å; K381-F392 WeakPolarHBondContact CA-O 3.16Å; K381-V393 HydrophobicContact CG-CG2 3.78Å
382P90.2Very high91.5Very high74 Ų7476.9 Ų76.948%0.48140%0.4SS..  trans-71.2-13.8-171.127.7-34.8000114.3E380E380-P382 WeakPolarHBondContact O-CD 3.25Å
383Y92.2Very high91.5Very high76 Ų7675.2 Ų75.230%0.29839%0.393SS..EExtended strand (participates in β ladder)trans-9898-176.2-58.3-72.7000110.7K381 T391 F392 V393 H395K381-Y383 PolarHBondContact O-N 2.81Å; Y383-T391 CarbonylContact O-C 3.54Å; Y383-T391 WeakPolarHBondContact O-CA 3.49Å; Y383-F392 WeakPolarHBondContact CB-O 3.39Å; Y383-F392 WeakPolarHBondContact CD2-O 3.37Å; Y383-F392 PolarHBondContact N-O 2.72Å; Y383-F392 VanDerWaalsContact N-O 3.16Å; Y383-F392 PolarHBondContact O-N 2.82Å; Y383-V393 WeakPolarHBondContact CD2-O 3.5Å; Y383-V393 VanDerWaalsContact CE2-O 3.31Å; Y383-V393 WeakPolarHBondContact CE2-O 3.46Å; Y383-H395 HydrophobicContact CD1-CB 4.05Å; Y383-H395 HydrophobicContact CD2-CB 4.43Å; Y383-H395 VanDerWaalsContact CD2-N 3.32Å; Y383-H395 HydrophobicContact CE1-CB 3.8Å; Y383-H395 HydrophobicContact CE2-CB 4.17Å; Y383-H395 VanDerWaalsContact CE2-N 3.31Å; Y383-H395 HydrophobicContact CG-CB 4.36Å
384Q94.3Very high91.3Very high113 Ų11377.2 Ų77.253%0.52840%0.402SS..EExtended strand (participates in β ladder)trans-90.2139.4176.9-171170.51200111.8G389 K390 T391Q384-G389 WeakPolarHBondContact CG-O 3.01Å; Q384-K390 CarbonylContact C-O 3.57Å; Q384-T391 HydrophobicContact CB-CG2 4.01Å; Q384-T391 HydrophobicContact CG-CG2 3.99Å
385C93.9Very high91.2Very high1 Ų178.1 Ų78.11%0.00741%0.407CS..  trans-81117.6168-174.60000110.2Q387 C388 G389 K390 F392 L398 H401 H405C385-Q387 PolarHBondContact O-N 2.98Å; C385-C388 PolarHBondContact O-N 2.93Å; C385-G389 VanDerWaalsContact O-CA 3.24Å; C385-G389 WeakPolarHBondContact O-CA 3.47Å; C385-G389 PolarHBondContact O-N 3.32Å; C385-K390 WeakPolarHBondContact CB-O 3.15Å; C385-K390 PolarHBondContact N-O 2.93Å; C385-F392 HydrophobicContact CB-CE2 4.42Å; C385-L398 HydrophobicContact CB-CD1 3.6Å; C385-H401 VanDerWaalsContact SG-CD2 3.58Å; C385-H401 PolarHBondContact SG-NE2 3.29Å; C385-H405 PolarHBondContact SG-NE2 2.7Å; C385-H405 VanDerWaalsContact SG-NE2 3.38Å
386N91.8Very high91Very high149 Ų14980.2 Ų80.280%0.79743%0.426SS*.THydrogen-bonded Turntrans-65.8-20.1179.3-61.1-0.6000113.6
387Q88.5Confident91.2Very high117 Ų11776.8 Ų76.855%0.54742%0.415SS..THydrogen-bonded Turntrans-87.1-25.2-178-73.8173.7-27.400113.7C385 H405C385-Q387 PolarHBondContact O-N 2.98Å; Q387-H405 PolarHBondContact OE1-CD2 3.33Å
388C93.2Very high91.2Very high58 Ų5873.6 Ų73.639%0.39240%0.4SS..THydrogen-bonded Turntrans-140.45.7-179.869.70000115.2C385 K390 H401C385-C388 PolarHBondContact O-N 2.93Å; C388-K390 PolarHBondContact O-N 3.33Å; C388-H401 PolarHBondContact SG-CE1 3.17Å; C388-H401 PolarHBondContact SG-NE2 3.31Å
389G91.6Very high91.2Very high34 Ų3473.6 Ų73.635%0.35139%0.394SS..  trans71.8-7.4179.200000115.7Q384 C385 T391Q384-G389 WeakPolarHBondContact CG-O 3.01Å; C385-G389 VanDerWaalsContact O-CA 3.24Å; C385-G389 WeakPolarHBondContact O-CA 3.47Å; C385-G389 PolarHBondContact O-N 3.32Å; G389-T391 PolarHBondContact O-N 3.14Å
390K92.9Very high91.4Very high125 Ų12578.7 Ų78.754%0.54340%0.4SS..  trans-59.7132.4179.4-73.1-177179.7-179.90111.3Q384 C385 C388 F392Q384-K390 CarbonylContact C-O 3.57Å; C385-K390 WeakPolarHBondContact CB-O 3.15Å; C385-K390 PolarHBondContact N-O 2.93Å; C388-K390 PolarHBondContact O-N 3.33Å; K390-F392 HydrophobicContact CB-CE2 3.86Å; K390-F392 HydrophobicContact CB-CZ 3.98Å; K390-F392 WeakPolarHBondContact O-CE2 3.18Å
391T93.2Very high91.4Very high61 Ų6174 Ų7437%0.37438%0.377SS..EExtended strand (participates in β ladder)trans-105.1146.8-179.261.70000112.1K381 Y383 Q384 G389K381-T391 WeakPolarHBondContact CB-OG1 3.44Å; K381-T391 WeakPolarHBondContact CD-OG1 3.37Å; K381-T391 WeakPolarHBondContact O-CB 3.48Å; Y383-T391 CarbonylContact O-C 3.54Å; Y383-T391 WeakPolarHBondContact O-CA 3.49Å; Q384-T391 HydrophobicContact CB-CG2 4.01Å; Q384-T391 HydrophobicContact CG-CG2 3.99Å; G389-T391 PolarHBondContact O-N 3.14Å
392F91.9Very high91.3Very high40 Ų4071.6 Ų71.618%0.17537%0.367CS..EExtended strand (participates in β ladder)trans-132.2147-176.1-58.9-89.3000110.9K381 Y383 C385 K390 L398 H401K381-F392 CarbonylContact C-O 3.31Å; K381-F392 WeakPolarHBondContact CA-O 3.16Å; Y383-F392 WeakPolarHBondContact CB-O 3.39Å; Y383-F392 WeakPolarHBondContact CD2-O 3.37Å; Y383-F392 PolarHBondContact N-O 2.72Å; Y383-F392 VanDerWaalsContact N-O 3.16Å; Y383-F392 PolarHBondContact O-N 2.82Å; C385-F392 HydrophobicContact CB-CE2 4.42Å; K390-F392 HydrophobicContact CB-CE2 3.86Å; K390-F392 HydrophobicContact CB-CZ 3.98Å; K390-F392 WeakPolarHBondContact O-CE2 3.18Å; F392-L398 HydrophobicContact CB-CB 4.3Å; F392-L398 HydrophobicContact CD2-CB 3.82Å; F392-L398 HydrophobicContact CD2-CD1 3.8Å; F392-L398 HydrophobicContact CD2-CG 4.41Å; F392-L398 HydrophobicContact CE2-CD1 3.9Å; F392-L398 HydrophobicContact CG-CB 4.2Å; F392-H401 HydrophobicContact CE1-CB 3.92Å; F392-H401 HydrophobicContact CE2-CB 3.88Å; F392-H401 AromaticContact CE2-CD2 3.53Å; F392-H401 AromaticContact CE2-CG 3.62Å; F392-H401 HydrophobicContact CZ-CB 3.39Å; F392-H401 AromaticContact CZ-CD2 3.62Å; F392-H401 AromaticContact CZ-CG 3.22Å; F392-H401 AromaticContact CZ-ND1 3.59Å
393V90.6Very high91.2Very high21 Ų2176.4 Ų76.413%0.12738%0.376CS..SBendtrans-71-37.1176-173.30000110.7R375 M376 K381 Y383R375-V393 HydrophobicContact CB-CG1 3.54Å; R375-V393 HydrophobicContact CG-CG1 4.42Å; R375-V393 PolarHBondContact NH1-O 3.27Å; R375-V393 VanDerWaalsContact NH1-O 3.07Å; M376-V393 HydrophobicContact SD-CG1 4.3Å; M376-V393 HydrophobicContact SD-CG2 4.19Å; K381-V393 HydrophobicContact CG-CG2 3.78Å; Y383-V393 WeakPolarHBondContact CD2-O 3.5Å; Y383-V393 VanDerWaalsContact CE2-O 3.31Å; Y383-V393 WeakPolarHBondContact CE2-O 3.46Å
394H88.8Confident91Very high69 Ų6976.4 Ų76.432%0.31938%0.38SS..SBendtrans-115.2142.3-176-60.4-167.2000111.1I372 T396 S397 L398I372-H394 WeakPolarHBondContact CG2-CD2 3.44Å; I372-H394 VanDerWaalsContact CG2-CE1 3.48Å; I372-H394 WeakPolarHBondContact CG2-CE1 2.98Å; I372-H394 WeakPolarHBondContact CG2-NE2 3.12Å; H394-T396 VanDerWaalsContact C-N 3.28Å; H394-T396 PolarHBondContact O-N 2.88Å; H394-S397 PolarHBondContact O-N 3.37Å; H394-L398 PolarHBondContact O-N 2.86Å
395H89.3Confident90.6Very high92 Ų9274.1 Ų74.143%0.42637%0.369SS..Hα-helixtrans-61.7-36.2173.9178.6-104.4000112.3Y383 S397 L398 Q399Y383-H395 HydrophobicContact CD1-CB 4.05Å; Y383-H395 HydrophobicContact CD2-CB 4.43Å; Y383-H395 VanDerWaalsContact CD2-N 3.32Å; Y383-H395 HydrophobicContact CE1-CB 3.8Å; Y383-H395 HydrophobicContact CE2-CB 4.17Å; Y383-H395 VanDerWaalsContact CE2-N 3.31Å; Y383-H395 HydrophobicContact CG-CB 4.36Å; H395-S397 VanDerWaalsContact C-N 3.34Å; H395-S397 PolarHBondContact O-N 3.16Å; H395-L398 WeakPolarHBondContact O-CB 3.28Å; H395-L398 PolarHBondContact O-N 2.96Å; H395-Q399 VanDerWaalsContact CE1-CG 3.4Å; H395-Q399 WeakPolarHBondContact CE1-CG 3.08Å; H395-Q399 PolarHBondContact CE1-NE2 3.5Å; H395-Q399 PolarHBondContact NE2-NE2 3.11Å; H395-Q399 WeakPolarHBondContact O-CG 3.39Å; H395-Q399 PolarHBondContact O-N 3.13Å
396T88.6Confident89.9Confident99 Ų9981.7 Ų81.761%0.60740%0.402SS*.Hα-helixtrans-64.2-37.6178.448.30000112.5H394 Q399 Y400H394-T396 VanDerWaalsContact C-N 3.28Å; H394-T396 PolarHBondContact O-N 2.88Å; T396-Q399 PolarHBondContact O-N 3.24Å; T396-Y400 PolarHBondContact O-N 2.71Å
397S91.2Very high88.9Confident51 Ų5183.9 Ų83.936%0.35740%0.399SS..Hα-helixtrans-64-41173.7-54.20000111.6H394 H395 Y400 H401H394-S397 PolarHBondContact O-N 3.37Å; H395-S397 VanDerWaalsContact C-N 3.34Å; H395-S397 PolarHBondContact O-N 3.16Å; S397-Y400 PolarHBondContact O-N 2.79Å; S397-H401 VanDerWaalsContact O-CB 3.25Å; S397-H401 WeakPolarHBondContact O-CB 3.31Å; S397-H401 PolarHBondContact O-N 2.78Å
398L91.7Very high87.3Confident10 Ų1087.9 Ų87.95%0.05242%0.415CS..Hα-helixtrans-62.3-44.1172172.863.3000111.6C385 F392 H394 H395 H401 K402C385-L398 HydrophobicContact CB-CD1 3.6Å; F392-L398 HydrophobicContact CB-CB 4.3Å; F392-L398 HydrophobicContact CD2-CB 3.82Å; F392-L398 HydrophobicContact CD2-CD1 3.8Å; F392-L398 HydrophobicContact CD2-CG 4.41Å; F392-L398 HydrophobicContact CE2-CD1 3.9Å; F392-L398 HydrophobicContact CG-CB 4.2Å; H394-L398 PolarHBondContact O-N 2.86Å; H395-L398 WeakPolarHBondContact O-CB 3.28Å; H395-L398 PolarHBondContact O-N 2.96Å; L398-H401 CarbonylContact O-C 3.39Å; L398-H401 WeakPolarHBondContact O-CB 3.41Å; L398-H401 PolarHBondContact O-N 3.29Å; L398-K402 HydrophobicContact CD1-CG 4.2Å; L398-K402 HydrophobicContact CG-CD 4.43Å; L398-K402 WeakPolarHBondContact O-CG 3.3Å; L398-K402 PolarHBondContact O-N 3.32Å
399Q91.4Very high85.4Confident82 Ų8294.2 Ų94.238%0.38344%0.436SS..Hα-helixtrans-63.3-42.4179-70.5-64.7-2700112.1H395 T396 K402 R403H395-Q399 VanDerWaalsContact CE1-CG 3.4Å; H395-Q399 WeakPolarHBondContact CE1-CG 3.08Å; H395-Q399 PolarHBondContact CE1-NE2 3.5Å; H395-Q399 PolarHBondContact NE2-NE2 3.11Å; H395-Q399 WeakPolarHBondContact O-CG 3.39Å; H395-Q399 PolarHBondContact O-N 3.13Å; T396-Q399 PolarHBondContact O-N 3.24Å; Q399-K402 PolarHBondContact O-N 2.68Å; Q399-R403 PolarHBondContact O-N 2.84Å
400Y90.8Very high83.4Confident157 Ų157102.1 Ų102.162%0.61648%0.481SS*.Hα-helixtrans-62.2-45.2172.6180-99.7000111.2T396 S397 K402 R403T396-Y400 PolarHBondContact O-N 2.71Å; S397-Y400 PolarHBondContact O-N 2.79Å; Y400-K402 VanDerWaalsContact C-N 3.34Å; Y400-K402 PolarHBondContact O-N 3.32Å; Y400-R403 VanDerWaalsContact O-CB 3.3Å; Y400-R403 WeakPolarHBondContact O-CB 3.46Å; Y400-R403 PolarHBondContact O-N 2.87Å; Y400-R403 VanDerWaalsContact O-N 3.13Å
401H91.3Very high82.9Confident13 Ų13101 Ų1016%0.0648%0.478CS..Hα-helixtrans-58.5-44176167.675.8000112C385 C388 F392 S397 L398 R403 I404 H405C385-H401 VanDerWaalsContact SG-CD2 3.58Å; C385-H401 PolarHBondContact SG-NE2 3.29Å; C388-H401 PolarHBondContact SG-CE1 3.17Å; C388-H401 PolarHBondContact SG-NE2 3.31Å; F392-H401 HydrophobicContact CE1-CB 3.92Å; F392-H401 HydrophobicContact CE2-CB 3.88Å; F392-H401 AromaticContact CE2-CD2 3.53Å; F392-H401 AromaticContact CE2-CG 3.62Å; F392-H401 HydrophobicContact CZ-CB 3.39Å; F392-H401 AromaticContact CZ-CD2 3.62Å; F392-H401 AromaticContact CZ-CG 3.22Å; F392-H401 AromaticContact CZ-ND1 3.59Å; S397-H401 VanDerWaalsContact O-CB 3.25Å; S397-H401 WeakPolarHBondContact O-CB 3.31Å; S397-H401 PolarHBondContact O-N 2.78Å; L398-H401 CarbonylContact O-C 3.39Å; L398-H401 WeakPolarHBondContact O-CB 3.41Å; L398-H401 PolarHBondContact O-N 3.29Å; H401-R403 PolarHBondContact O-N 3.26Å; H401-R403 VanDerWaalsContact O-N 3.08Å; H401-I404 VanDerWaalsContact CE1-CD1 3.4Å; H401-I404 WeakPolarHBondContact CE1-CD1 3.3Å; H401-I404 VanDerWaalsContact ND1-CD1 3.26Å; H401-I404 WeakPolarHBondContact ND1-CD1 3.13Å; H401-I404 WeakPolarHBondContact O-CB 3.35Å; H401-I404 WeakPolarHBondContact O-CG1 2.91Å; H401-I404 WeakPolarHBondContact O-CG2 3.21Å; H401-I404 PolarHBondContact O-N 2.66Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 4Å; H401-H405 AromaticContact NE2-NE2 3.23Å; H401-H405 PolarHBondContact NE2-NE2 3.49Å
402K89.4Confident82.4Confident62 Ų62103.1 Ų103.127%0.2748%0.483SS..Hα-helixtrans-56.2-29.2177.7-78.4-179.8174.7-174.10113.2L398 Q399 Y400 I404 H405 F406L398-K402 HydrophobicContact CD1-CG 4.2Å; L398-K402 HydrophobicContact CG-CD 4.43Å; L398-K402 WeakPolarHBondContact O-CG 3.3Å; L398-K402 PolarHBondContact O-N 3.32Å; Q399-K402 PolarHBondContact O-N 2.68Å; Y400-K402 VanDerWaalsContact C-N 3.34Å; Y400-K402 PolarHBondContact O-N 3.32Å; K402-I404 PolarHBondContact O-N 2.62Å; K402-H405 WeakPolarHBondContact O-CB 3.43Å; K402-H405 PolarHBondContact O-N 3.37Å; K402-H405 VanDerWaalsContact O-N 3.11Å; K402-F406 WeakPolarHBondContact O-CD2 3.43Å
403R89.4Confident81.8Confident174 Ų174106.6 Ų106.666%0.65750%0.5SS*.Hα-helixtrans-61.9-26.4175.9-61.8-180179-176.2-2.9113.1Q399 Y400 H401 H405 F406 R407Q399-R403 PolarHBondContact O-N 2.84Å; Y400-R403 VanDerWaalsContact O-CB 3.3Å; Y400-R403 WeakPolarHBondContact O-CB 3.46Å; Y400-R403 PolarHBondContact O-N 2.87Å; Y400-R403 VanDerWaalsContact O-N 3.13Å; H401-R403 PolarHBondContact O-N 3.26Å; H401-R403 VanDerWaalsContact O-N 3.08Å; R403-H405 VanDerWaalsContact C-N 3.26Å; R403-H405 PolarHBondContact O-N 2.77Å; R403-F406 PolarHBondContact O-N 2.68Å; R403-R407 PolarHBondContact O-N 3.48Å
404I87.9Confident81.3Confident76 Ų76111.6 Ų111.639%0.3952%0.522SS..Hα-helixtrans-69.9-26.5177.884.5-167.3000111.9H401 K402 R407H401-I404 VanDerWaalsContact CE1-CD1 3.4Å; H401-I404 WeakPolarHBondContact CE1-CD1 3.3Å; H401-I404 VanDerWaalsContact ND1-CD1 3.26Å; H401-I404 WeakPolarHBondContact ND1-CD1 3.13Å; H401-I404 WeakPolarHBondContact O-CB 3.35Å; H401-I404 WeakPolarHBondContact O-CG1 2.91Å; H401-I404 WeakPolarHBondContact O-CG2 3.21Å; H401-I404 PolarHBondContact O-N 2.66Å; K402-I404 PolarHBondContact O-N 2.62Å; I404-R407 PolarHBondContact O-N 2.78Å
405H86.3Confident80.8Confident66 Ų66114.3 Ų114.331%0.30654%0.535SS..Hα-helixtrans-76.9-24.3176.5-64.1-62.7000112.6C385 Q387 H401 K402 R403C385-H405 PolarHBondContact SG-NE2 2.7Å; C385-H405 VanDerWaalsContact SG-NE2 3.38Å; Q387-H405 PolarHBondContact OE1-CD2 3.33Å; H401-H405 AromaticContact CE1-NE2 3.75Å; H401-H405 AromaticContact NE2-CD2 4Å; H401-H405 AromaticContact NE2-NE2 3.23Å; H401-H405 PolarHBondContact NE2-NE2 3.49Å; K402-H405 WeakPolarHBondContact O-CB 3.43Å; K402-H405 PolarHBondContact O-N 3.37Å; K402-H405 VanDerWaalsContact O-N 3.11Å; R403-H405 VanDerWaalsContact C-N 3.26Å; R403-H405 PolarHBondContact O-N 2.77Å
406F77.8Confident80.3Confident160 Ų160115.7 Ų115.770%0.70254%0.542SS*.Hα-helixtrans-84.5-10.1174.2-64.4-72.6000113.4K402 R403 K408K402-F406 WeakPolarHBondContact O-CD2 3.43Å; R403-F406 PolarHBondContact O-N 2.68Å; F406-K408 VanDerWaalsContact C-N 3.32Å; F406-K408 PolarHBondContact O-N 2.95Å
407R70.3Confident79.7Confident194 Ų194116.9 Ų116.973%0.73254%0.537SS*.SBendtrans-71.995.2166.3-69-175.4174.2-178.4-3.1106.8R403 I404 K409R403-R407 PolarHBondContact O-N 3.48Å; I404-R407 PolarHBondContact O-N 2.78Å; R407-K409 PolarHBondContact O-N 2.94Å
408K55.9Low78.8Confident201 Ų201122 Ų12287%0.87455%0.551SS**  trans-46.7117.6163.2-76.9-173.9173.9-1760106.4F406F406-K408 VanDerWaalsContact C-N 3.32Å; F406-K408 PolarHBondContact O-N 2.95Å
409K54.3Low77.7Confident192 Ų192131.3 Ų131.384%0.83559%0.593SS**  trans-57.8137.7163-86.2-177171.7-176.70106.5R407R407-K409 PolarHBondContact O-N 2.94Å
410P48Very low76.5Confident199 Ų199135.8 Ų135.8100%1.29261%0.612SS**  trans-54.90-179.923.6-32.8000111.8

Retrieved 410 of 410 residues in 813.5 ms (Link to these results)

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