G4VTC5_SCHMA Loading...

Putative heat shock transcription factor

AlphaFold DB , UniProt , Accession G4VTC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 658 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
1M44.3Very low50.2Low239 Ų239140.3 Ų140.3100%1.17780%0.803SS**  0108.60-73.4-173.3179.800108.6G3M1-G3 PolarHBondContact O-N 3.1Å
2Y46.8Very low52.9Low229 Ų229138.2 Ų138.290%0.89880%0.803SS**  trans-87.497.6167.7-66.6-75.8000108F4Y2-F4 PolarHBondContact O-N 3.32Å; Y2-F4 VanDerWaalsContact O-N 3.14Å
3G43.5Very low55.6Low68 Ų68132.4 Ų132.470%0.70177%0.766SS**  trans-66.7110.3173.600000109.1M1 T5M1-G3 PolarHBondContact O-N 3.1Å; G3-T5 VanDerWaalsContact C-N 3.32Å; G3-T5 PolarHBondContact O-N 3.08Å
4F44.4Very low58.1Low209 Ų209125.6 Ų125.692%0.91773%0.728SS**  trans-60.699.7163.3-85.2-94.8000107.6Y2 S6Y2-F4 PolarHBondContact O-N 3.32Å; Y2-F4 VanDerWaalsContact O-N 3.14Å; F4-S6 PolarHBondContact O-N 3Å
5T48.7Very low60.3Low132 Ų132122 Ų12281%0.8172%0.72SS**  trans-62.7110.6165.8450000106.6G3 G7G3-T5 VanDerWaalsContact C-N 3.32Å; G3-T5 PolarHBondContact O-N 3.08Å; T5-G7 PolarHBondContact O-N 3.37Å
6S47.2Very low62.5Low116 Ų116115.4 Ų115.481%0.81168%0.679SS**  trans-58.6107.5172.854.40000107.6F4F4-S6 PolarHBondContact O-N 3Å
7G49.2Very low64.3Low58 Ų58108.6 Ų108.660%0.59864%0.639SS**PPolyproline II helixtrans-54.1150.3178.600000110.6T5T5-G7 PolarHBondContact O-N 3.37Å
8P54.3Low65.9Low114 Ų114106.1 Ų106.174%0.7463%0.625SS**PPolyproline II helixtrans-54144.3177.225.4-34.5000109.6V10P8-V10 PolarHBondContact O-N 3.29Å
9P52.2Low67.3Low116 Ų116105.2 Ų105.275%0.75361%0.613SS**PPolyproline II helixtrans-55117.3-176.222.6-33.6000109.4Q11P9-Q11 PolarHBondContact O-N 3.44Å
10V58.6Low68.7Low145 Ų145100 Ų10088%0.87958%0.582SS**  trans-62.198.4-178.1-76.40000109.2P8 S12P8-V10 PolarHBondContact O-N 3.29Å; V10-S12 PolarHBondContact O-N 2.98Å; V10-S12 VanDerWaalsContact O-N 3.09Å
11Q63.5Low69.9Low117 Ų11795.6 Ų95.655%0.54756%0.556SS.*  trans-62.5113.9179.2-72-1809.200108.1P9 I13P9-Q11 PolarHBondContact O-N 3.44Å; Q11-I13 PolarHBondContact O-N 3.05Å; Q11-I13 VanDerWaalsContact O-N 3.13Å
12S82.5Confident72.2Confident115 Ų11589.2 Ų89.280%0.80453%0.526SS*.  trans-63.4114.5-171.748.10000111V10 P14V10-S12 PolarHBondContact O-N 2.98Å; V10-S12 VanDerWaalsContact O-N 3.09Å; S12-P14 WeakPolarHBondContact O-CD 3.45Å
13I87.8Confident74.4Confident63 Ų6378.3 Ų78.332%0.32348%0.483SS..  trans-66.7125.5179.4-60.7169.4000108.6Q11 A15 L17 L110Q11-I13 PolarHBondContact O-N 3.05Å; Q11-I13 VanDerWaalsContact O-N 3.13Å; I13-A15 PolarHBondContact O-N 3.25Å; I13-L17 HydrophobicContact CG2-CB 4.11Å; I13-L110 HydrophobicContact CD1-CB 4.1Å; I13-L110 HydrophobicContact CG1-CB 4.33Å; I13-L110 HydrophobicContact CG2-CB 4Å
14P90.5Very high76.8Confident37 Ų3775.1 Ų75.124%0.2445%0.45CS..  trans-55.1128.8174.1-26.932.7000112.1S12 F16 L17 T18 Y74S12-P14 WeakPolarHBondContact O-CD 3.45Å; P14-F16 PolarHBondContact O-N 3.01Å; P14-L17 HydrophobicContact CB-CD1 4.21Å; P14-L17 HydrophobicContact CB-CG 4.39Å; P14-L17 HydrophobicContact CG-CD1 4.04Å; P14-L17 WeakPolarHBondContact O-CB 3.21Å; P14-L17 PolarHBondContact O-N 2.87Å; P14-T18 PolarHBondContact O-N 3.14Å; P14-Y74 HydrophobicContact CB-CE1 3.67Å; P14-Y74 WeakPolarHBondContact CB-OH 3.33Å; P14-Y74 HydrophobicContact CG-CE1 3.82Å
15A91.8Very high79.1Confident72 Ų7267.6 Ų67.660%0.59542%0.42SS*.Hα-helixtrans-56.6-24.8-174.500000114.8I13 K19I13-A15 PolarHBondContact O-N 3.25Å; A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 VanDerWaalsContact O-CG 3.3Å; A15-K19 WeakPolarHBondContact O-CG 3.43Å; A15-K19 PolarHBondContact O-N 3.48Å; A15-K19 VanDerWaalsContact O-N 3.11Å
16F94.4Very high81.2Confident17 Ų1763.9 Ų63.98%0.07540%0.395CS..Hα-helixtrans-61.6-42.8171172.3-95.7000112P14 K19 L20 F59 F67 Q70 L71 Y74P14-F16 PolarHBondContact O-N 3.01Å; F16-K19 PolarHBondContact O-N 3.36Å; F16-L20 HydrophobicContact CE1-CB 4.48Å; F16-L20 HydrophobicContact CE1-CD2 3.99Å; F16-L20 HydrophobicContact CZ-CD2 4.34Å; F16-L20 VanDerWaalsContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CB 3.34Å; F16-L20 PolarHBondContact O-N 2.89Å; F16-F59 HydrophobicContact CD2-CD1 4.32Å; F16-F59 AromaticContact CD2-CE1 3.47Å; F16-F59 HydrophobicContact CD2-CE1 3.47Å; F16-F59 VanDerWaalsContact CD2-CE1 3.47Å; F16-F59 AromaticContact CD2-CZ 3.88Å; F16-F59 HydrophobicContact CD2-CZ 3.88Å; F16-F59 AromaticContact CE2-CE1 3.88Å; F16-F59 HydrophobicContact CE2-CE1 3.88Å; F16-F59 AromaticContact CE2-CZ 3.85Å; F16-F59 HydrophobicContact CE2-CZ 3.85Å; F16-F59 HydrophobicContact CG-CE1 4.44Å; F16-F67 AromaticContact CE2-CD2 3.99Å; F16-F67 HydrophobicContact CE2-CD2 3.99Å; F16-F67 HydrophobicContact CE2-CE2 4.12Å; F16-F67 HydrophobicContact CZ-CD2 4.32Å; F16-F67 HydrophobicContact CZ-CE2 4.18Å; F16-Q70 HydrophobicContact CD1-CB 4.32Å; F16-Q70 HydrophobicContact CD2-CB 3.7Å; F16-Q70 HydrophobicContact CD2-CG 3.99Å; F16-Q70 HydrophobicContact CE1-CB 3.98Å; F16-Q70 HydrophobicContact CE2-CB 3.33Å; F16-Q70 HydrophobicContact CE2-CG 3.94Å; F16-Q70 HydrophobicContact CG-CB 4.2Å; F16-Q70 HydrophobicContact CZ-CB 3.49Å; F16-Q70 VanDerWaalsContact CZ-CB 3.49Å; F16-L71 HydrophobicContact CE1-CD2 4.02Å; F16-L71 HydrophobicContact CZ-CD2 3.84Å; F16-L71 HydrophobicContact CZ-CG 4.15Å; F16-Y74 HydrophobicContact CB-CE2 3.73Å; F16-Y74 AromaticContact CD1-CD2 3.28Å; F16-Y74 HydrophobicContact CD1-CD2 3.28Å; F16-Y74 AromaticContact CD1-CE2 3.22Å; F16-Y74 HydrophobicContact CD1-CE2 3.22Å; F16-Y74 HydrophobicContact CD1-CG 4.25Å; F16-Y74 AromaticContact CE1-CD2 3.66Å; F16-Y74 HydrophobicContact CE1-CD2 3.66Å; F16-Y74 HydrophobicContact CE1-CE2 4.03Å; F16-Y74 HydrophobicContact CG-CD2 4.13Å; F16-Y74 AromaticContact CG-CE2 3.62Å; F16-Y74 HydrophobicContact CG-CE2 3.62Å
17L93.9Very high83.3Confident0 Ų065.8 Ų65.80%039%0.391CS..Hα-helixtrans-73.7-37.5-177.8-61.9173.5000111.8I13 P14 K19 L20 K21 Y74 F76 I113I13-L17 HydrophobicContact CG2-CB 4.11Å; P14-L17 HydrophobicContact CB-CD1 4.21Å; P14-L17 HydrophobicContact CB-CG 4.39Å; P14-L17 HydrophobicContact CG-CD1 4.04Å; P14-L17 WeakPolarHBondContact O-CB 3.21Å; P14-L17 PolarHBondContact O-N 2.87Å; L17-K19 VanDerWaalsContact C-N 3.33Å; L17-L20 HydrophobicContact CD2-CD2 4.5Å; L17-L20 PolarHBondContact O-N 3.32Å; L17-K21 VanDerWaalsContact O-CB 3.25Å; L17-K21 WeakPolarHBondContact O-CB 3.46Å; L17-K21 PolarHBondContact O-N 2.74Å; L17-Y74 HydrophobicContact CD1-CD1 3.92Å; L17-Y74 HydrophobicContact CD1-CE1 4.14Å; L17-Y74 HydrophobicContact CD2-CD1 4.16Å; L17-Y74 HydrophobicContact CD2-CD2 4.33Å; L17-Y74 HydrophobicContact CD2-CG 3.96Å; L17-Y74 HydrophobicContact CG-CD1 4.11Å; L17-Y74 HydrophobicContact CG-CE1 4.23Å; L17-Y74 HydrophobicContact CG-CG 4.36Å; L17-F76 HydrophobicContact CD2-CE2 3.74Å; L17-F76 HydrophobicContact CD2-CZ 4.06Å; L17-I113 HydrophobicContact CD1-CB 3.56Å; L17-I113 HydrophobicContact CD1-CD1 4.26Å; L17-I113 HydrophobicContact CD1-CG1 4.4Å; L17-I113 HydrophobicContact CD1-CG2 3.7Å; L17-I113 HydrophobicContact CD2-CD1 4.36Å; L17-I113 HydrophobicContact CD2-CG2 4.15Å
18T92.6Very high85.2Confident62 Ų6271.5 Ų71.538%0.3840%0.402SS..Hα-helixtrans-59.9-45.5171.8-470000110.8P14 K21 L22P14-T18 PolarHBondContact O-N 3.14Å; T18-K21 PolarHBondContact O-N 2.95Å; T18-L22 HydrophobicContact CG2-CD1 4.48Å; T18-L22 WeakPolarHBondContact O-CG 3.16Å; T18-L22 PolarHBondContact O-N 3.38Å; T18-L22 VanDerWaalsContact O-N 3.07Å
19K93.6Very high87Confident90 Ų9066.3 Ų66.339%0.39137%0.368SS..Hα-helixtrans-68.4-40.4177.7-74.3179.2161.4-145.70113A15 F16 L17 K21 L23 Y58 F59A15-K19 WeakPolarHBondContact O-CB 3.23Å; A15-K19 VanDerWaalsContact O-CG 3.3Å; A15-K19 WeakPolarHBondContact O-CG 3.43Å; A15-K19 PolarHBondContact O-N 3.48Å; A15-K19 VanDerWaalsContact O-N 3.11Å; F16-K19 PolarHBondContact O-N 3.36Å; L17-K19 VanDerWaalsContact C-N 3.33Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 2.84Å; K19-Y58 WeakPolarHBondContact CD-O 3.41Å; K19-Y58 WeakPolarHBondContact CE-O 3.41Å; K19-Y58 PolarHBondContact NZ-O 2.99Å; K19-F59 HydrophobicContact CB-CE1 3.9Å; K19-F59 HydrophobicContact CB-CZ 3.89Å; K19-F59 HydrophobicContact CD-CD1 4.5Å; K19-F59 HydrophobicContact CD-CE1 4.23Å
20L94.8Very high88.8Confident0 Ų064 Ų640%035%0.35CS..Hα-helixtrans-61.9-42.7173.5178.967.4000111.1F16 L17 L23 V24 F42 F67 L71 F76 F102F16-L20 HydrophobicContact CE1-CB 4.48Å; F16-L20 HydrophobicContact CE1-CD2 3.99Å; F16-L20 HydrophobicContact CZ-CD2 4.34Å; F16-L20 VanDerWaalsContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CB 3.34Å; F16-L20 PolarHBondContact O-N 2.89Å; L17-L20 HydrophobicContact CD2-CD2 4.5Å; L17-L20 PolarHBondContact O-N 3.32Å; L20-L23 PolarHBondContact O-N 3.42Å; L20-V24 HydrophobicContact CD1-CG2 4.14Å; L20-V24 HydrophobicContact CG-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.45Å; L20-V24 VanDerWaalsContact O-N 3.08Å; L20-F42 HydrophobicContact CD1-CZ 4.12Å; L20-F42 HydrophobicContact CD2-CE1 4.43Å; L20-F67 HydrophobicContact CD1-CE2 3.81Å; L20-F67 HydrophobicContact CD1-CZ 3.5Å; L20-L71 HydrophobicContact CD1-CD2 4.22Å; L20-L71 HydrophobicContact CD2-CD2 3.57Å; L20-F76 HydrophobicContact CD2-CE1 4.05Å; L20-F76 HydrophobicContact CD2-CE2 4.2Å; L20-F76 HydrophobicContact CD2-CZ 3.63Å; L20-F102 HydrophobicContact CD2-CD2 4.49Å; L20-F102 HydrophobicContact CD2-CE1 4.45Å; L20-F102 HydrophobicContact CD2-CE2 3.88Å; L20-F102 HydrophobicContact CD2-CZ 3.86Å; L20-F102 HydrophobicContact CG-CE2 4.05Å; L20-F102 HydrophobicContact CG-CZ 3.73Å
21K92.9Very high90.4Very high9 Ų963.1 Ų63.14%0.03934%0.336CS..Hα-helixtrans-61.3-50.9178.4-178.956.2169.5132.60111.1L17 T18 K19 L23 V24 D25 W35 F102 D107 L110L17-K21 VanDerWaalsContact O-CB 3.25Å; L17-K21 WeakPolarHBondContact O-CB 3.46Å; L17-K21 PolarHBondContact O-N 2.74Å; T18-K21 PolarHBondContact O-N 2.95Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K21-L23 VanDerWaalsContact C-N 3.34Å; K21-L23 PolarHBondContact O-N 3.14Å; K21-V24 PolarHBondContact O-N 2.85Å; K21-D25 VanDerWaalsContact CD-OD2 3.23Å; K21-D25 WeakPolarHBondContact CD-OD2 3.32Å; K21-D25 WeakPolarHBondContact CE-OD2 3.16Å; K21-D25 WeakPolarHBondContact CG-OD2 3.3Å; K21-D25 IonicContact NZ-OD1 3.03Å; K21-D25 PolarHBondContact NZ-OD1 3.44Å; K21-D25 IonicContact NZ-OD2 2.8Å; K21-D25 PolarHBondContact NZ-OD2 3.44Å; K21-D25 WeakPolarHBondContact O-CB 3.48Å; K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 2.87Å; K21-W35 HydrophobicContact CD-CH2 4.42Å; K21-W35 HydrophobicContact CD-CZ2 3.87Å; K21-F102 HydrophobicContact CB-CE2 4.23Å; K21-F102 HydrophobicContact CB-CZ 4.5Å; K21-F102 HydrophobicContact CD-CE2 4.43Å; K21-F102 HydrophobicContact CD-CZ 4.39Å; K21-D107 WeakPolarHBondContact CE-OD1 3.35Å; K21-D107 IonicContact NZ-OD1 3.73Å; K21-L110 HydrophobicContact CB-CD1 4.12Å; K21-L110 HydrophobicContact CG-CD1 4.03Å
22L92.7Very high91.7Very high105 Ų10557.8 Ų57.855%0.5531%0.311SS..Hα-helixtrans-56.1-46.5173.9-69.2167.7000111.8T18 V24 D25 D26 Y58T18-L22 HydrophobicContact CG2-CD1 4.48Å; T18-L22 WeakPolarHBondContact O-CG 3.16Å; T18-L22 PolarHBondContact O-N 3.38Å; T18-L22 VanDerWaalsContact O-N 3.07Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 2.72Å; L22-D25 PolarHBondContact O-N 2.89Å; L22-D26 WeakPolarHBondContact O-CB 3.31Å; L22-D26 PolarHBondContact O-N 2.84Å; L22-D26 VanDerWaalsContact O-N 3.1Å; L22-Y58 HydrophobicContact CB-CE1 4.38Å
23L93.7Very high92.3Very high0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-63.8-22179.6176.863.8000114.4K19 L20 K21 T29 I33 L54 Y58 F59 F67K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 2.84Å; L20-L23 PolarHBondContact O-N 3.42Å; K21-L23 VanDerWaalsContact C-N 3.34Å; K21-L23 PolarHBondContact O-N 3.14Å; L23-T29 HydrophobicContact CD1-CG2 4.23Å; L23-T29 PolarHBondContact O-OG1 2.98Å; L23-I33 HydrophobicContact CD1-CG2 4.12Å; L23-I33 HydrophobicContact CD2-CD1 4.4Å; L23-I33 HydrophobicContact CG-CD1 4.34Å; L23-I33 HydrophobicContact CG-CG2 4.14Å; L23-I33 WeakPolarHBondContact O-CG2 3.24Å; L23-L54 HydrophobicContact CD1-CB 4.08Å; L23-L54 HydrophobicContact CD1-CD1 4.06Å; L23-Y58 HydrophobicContact CB-CD1 3.98Å; L23-Y58 HydrophobicContact CB-CE1 4Å; L23-Y58 HydrophobicContact CB-CG 4.37Å; L23-Y58 HydrophobicContact CD1-CD1 4.46Å; L23-Y58 HydrophobicContact CD1-CD2 3.77Å; L23-Y58 HydrophobicContact CD1-CE1 4.37Å; L23-Y58 HydrophobicContact CD1-CE2 3.68Å; L23-Y58 HydrophobicContact CD1-CG 4.18Å; L23-F59 HydrophobicContact CD2-CE2 4.02Å; L23-F67 HydrophobicContact CD2-CE2 4.29Å; L23-F67 HydrophobicContact CD2-CZ 4.44Å
24V94.3Very high92.6Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-101.4-20.5178.3-171.90000111.3L20 K21 L22 I33 W35 F42 F102L20-V24 HydrophobicContact CD1-CG2 4.14Å; L20-V24 HydrophobicContact CG-CG2 4.48Å; L20-V24 WeakPolarHBondContact O-CG2 3.34Å; L20-V24 PolarHBondContact O-N 3.45Å; L20-V24 VanDerWaalsContact O-N 3.08Å; K21-V24 PolarHBondContact O-N 2.85Å; L22-V24 VanDerWaalsContact C-N 3.26Å; L22-V24 PolarHBondContact O-N 2.72Å; V24-I33 HydrophobicContact CG2-CD1 3.7Å; V24-I33 HydrophobicContact CG2-CG1 3.95Å; V24-W35 HydrophobicContact CB-CZ2 4.19Å; V24-W35 HydrophobicContact CG1-CD2 3.68Å; V24-W35 VanDerWaalsContact CG1-CE2 3.49Å; V24-W35 HydrophobicContact CG1-CE3 4.34Å; V24-W35 HydrophobicContact CG1-CG 3.84Å; V24-W35 HydrophobicContact CG1-CZ2 4Å; V24-W35 PolarHBondContact O-NE1 2.93Å; V24-W35 VanDerWaalsContact O-NE1 3.14Å; V24-F42 HydrophobicContact CG1-CB 3.59Å; V24-F42 HydrophobicContact CG1-CG 4.25Å; V24-F42 HydrophobicContact CG2-CB 4.37Å; V24-F42 HydrophobicContact CG2-CD2 4.25Å; V24-F42 HydrophobicContact CG2-CG 4.16Å; V24-F102 HydrophobicContact CG2-CZ 4.49Å
25D92.4Very high92.8Very high52 Ų5250.8 Ų50.828%0.27826%0.258SS..Hα-helixtrans-83.8-21175.4-72.3-26.8000114K21 L22 E27 W35K21-D25 VanDerWaalsContact CD-OD2 3.23Å; K21-D25 WeakPolarHBondContact CD-OD2 3.32Å; K21-D25 WeakPolarHBondContact CE-OD2 3.16Å; K21-D25 WeakPolarHBondContact CG-OD2 3.3Å; K21-D25 IonicContact NZ-OD1 3.03Å; K21-D25 PolarHBondContact NZ-OD1 3.44Å; K21-D25 IonicContact NZ-OD2 2.8Å; K21-D25 PolarHBondContact NZ-OD2 3.44Å; K21-D25 WeakPolarHBondContact O-CB 3.48Å; K21-D25 VanDerWaalsContact O-CG 3.3Å; K21-D25 PolarHBondContact O-N 2.87Å; L22-D25 PolarHBondContact O-N 2.89Å; D25-E27 PolarHBondContact O-N 3.06Å; D25-W35 PolarHBondContact OD1-NE1 3.08Å
26D92.2Very high92.9Very high53 Ų5347.7 Ų47.728%0.28323%0.232SC..  trans-73.1119.2-174.6-170.3-10.6000112.1L22 E28 T29 Y58L22-D26 WeakPolarHBondContact O-CB 3.31Å; L22-D26 PolarHBondContact O-N 2.84Å; L22-D26 VanDerWaalsContact O-N 3.1Å; D26-E28 VanDerWaalsContact C-N 3.25Å; D26-E28 PolarHBondContact O-N 3.26Å; D26-E28 PolarHBondContact OD1-N 2.99Å; D26-T29 HydrophobicContact CB-CG2 3.95Å; D26-T29 PolarHBondContact O-N 3.5Å; D26-T29 PolarHBondContact O-OG1 3.5Å; D26-Y58 PolarHBondContact OD2-OH 3.09Å
27E91.3Very high92.7Very high156 Ų15652.8 Ų52.873%0.72927%0.267SS*.G310 helixtrans-65.5-27.6-173.6-65.8-170.1169.300113.3D25 T29 N30D25-E27 PolarHBondContact O-N 3.06Å; E27-T29 PolarHBondContact O-N 3.49Å; E27-N30 WeakPolarHBondContact CA-ND2 3.44Å; E27-N30 WeakPolarHBondContact O-CB 3.34Å; E27-N30 PolarHBondContact O-N 2.87Å; E27-N30 PolarHBondContact O-ND2 3.44Å
28E89.8Confident92.6Very high178 Ų17860.2 Ų60.283%0.83230%0.301SS*.G310 helixtrans-67.4-25.5176.2-61.6-172.1177.700112.2D26D26-E28 VanDerWaalsContact C-N 3.25Å; D26-E28 PolarHBondContact O-N 3.26Å; D26-E28 PolarHBondContact OD1-N 2.99Å
29T91.1Very high92.6Very high6 Ų657.5 Ų57.54%0.03729%0.286CS..G310 helixtrans-90.7-9.1-175.269.60000114.1L23 D26 E27 E31 L32 I33 L54L23-T29 HydrophobicContact CD1-CG2 4.23Å; L23-T29 PolarHBondContact O-OG1 2.98Å; D26-T29 HydrophobicContact CB-CG2 3.95Å; D26-T29 PolarHBondContact O-N 3.5Å; D26-T29 PolarHBondContact O-OG1 3.5Å; E27-T29 PolarHBondContact O-N 3.49Å; T29-E31 PolarHBondContact O-N 3.05Å; T29-L32 PolarHBondContact O-N 3.32Å; T29-I33 CarbonylContact C-O 3.55Å; T29-I33 PolarHBondContact O-N 3.46Å; T29-I33 VanDerWaalsContact O-O 3.13Å; T29-L54 HydrophobicContact CG2-CD1 4.1Å; T29-L54 HydrophobicContact CG2-CD2 3.87Å
30N90.8Very high92.5Very high67 Ų6756.3 Ų56.336%0.35829%0.286SS..THydrogen-bonded Turntrans-56.8-19.8-176.1-82.8-39.2000114.6E27 L32 I33 Y34E27-N30 WeakPolarHBondContact CA-ND2 3.44Å; E27-N30 WeakPolarHBondContact O-CB 3.34Å; E27-N30 PolarHBondContact O-N 2.87Å; E27-N30 PolarHBondContact O-ND2 3.44Å; N30-L32 VanDerWaalsContact C-N 3.27Å; N30-L32 PolarHBondContact O-N 2.89Å; N30-I33 WeakPolarHBondContact CA-O 3.5Å; N30-Y34 WeakPolarHBondContact O-CD1 3.29Å; N30-Y34 WeakPolarHBondContact OD1-CB 3.37Å
31E91.3Very high92.5Very high126 Ų12656.4 Ų56.459%0.58929%0.287SS*.THydrogen-bonded Turntrans-63.1-34.2173.1-65.2-163.316800112.8T29 R45 R49T29-E31 PolarHBondContact O-N 3.05Å; E31-R45 PolarHBondContact O-NH1 2.78Å; E31-R49 IonicContact OE2-NH2 2.78Å
32L92Very high92.6Very high5 Ų556 Ų563%0.02629%0.285CS..THydrogen-bonded Turntrans-113.6-36.9-170-65.4179.6000113T29 N30 I44 R45 D46 R49 L50 E53 L54T29-L32 PolarHBondContact O-N 3.32Å; N30-L32 VanDerWaalsContact C-N 3.27Å; N30-L32 PolarHBondContact O-N 2.89Å; L32-I44 WeakPolarHBondContact O-CA 3.47Å; L32-R45 PolarHBondContact O-N 3.33Å; L32-D46 HydrophobicContact CD2-CB 3.96Å; L32-R49 HydrophobicContact CD1-CB 4.13Å; L32-R49 HydrophobicContact CD2-CB 3.57Å; L32-R49 HydrophobicContact CD2-CG 4.44Å; L32-L50 HydrophobicContact CB-CB 4.46Å; L32-E53 HydrophobicContact CD1-CB 4.34Å; L32-L54 HydrophobicContact CB-CD1 3.96Å; L32-L54 HydrophobicContact CD1-CD1 3.9Å; L32-L54 HydrophobicContact CD1-CG 4.09Å
33I94.7Very high92.6Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-142.6125.3179.3-175.5167.1000110.3L23 V24 T29 N30 F42 H43 I44 L50 L54 F67L23-I33 HydrophobicContact CD1-CG2 4.12Å; L23-I33 HydrophobicContact CD2-CD1 4.4Å; L23-I33 HydrophobicContact CG-CD1 4.34Å; L23-I33 HydrophobicContact CG-CG2 4.14Å; L23-I33 WeakPolarHBondContact O-CG2 3.24Å; V24-I33 HydrophobicContact CG2-CD1 3.7Å; V24-I33 HydrophobicContact CG2-CG1 3.95Å; T29-I33 CarbonylContact C-O 3.55Å; T29-I33 PolarHBondContact O-N 3.46Å; T29-I33 VanDerWaalsContact O-O 3.13Å; N30-I33 WeakPolarHBondContact CA-O 3.5Å; I33-F42 HydrophobicContact CD1-CD2 3.86Å; I33-F42 HydrophobicContact CD1-CE2 3.94Å; I33-F42 HydrophobicContact CG1-CD2 4Å; I33-H43 VanDerWaalsContact CA-O 3.29Å; I33-H43 WeakPolarHBondContact CA-O 3.39Å; I33-I44 HydrophobicContact CD1-CG1 4.21Å; I33-I44 HydrophobicContact CG1-CG1 4.35Å; I33-L50 HydrophobicContact CB-CD1 3.59Å; I33-L50 HydrophobicContact CD1-CD1 3.97Å; I33-L50 HydrophobicContact CG1-CD1 4.33Å; I33-L50 HydrophobicContact CG2-CD1 3.77Å; I33-L54 HydrophobicContact CG2-CD1 3.92Å; I33-F67 HydrophobicContact CD1-CZ 4.48Å
34Y94Very high92.6Very high52 Ų5251.8 Ų51.820%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-149.9157.3-173.658.1-86.9000112.1N30 F42 H43 R45N30-Y34 WeakPolarHBondContact O-CD1 3.29Å; N30-Y34 WeakPolarHBondContact OD1-CB 3.37Å; Y34-F42 CarbonylContact O-C 3.43Å; Y34-F42 VanDerWaalsContact O-CA 3.26Å; Y34-F42 WeakPolarHBondContact O-CA 3.49Å; Y34-F42 WeakPolarHBondContact O-CB 3.42Å; Y34-H43 HydrophobicContact CD1-CB 4.37Å; Y34-H43 HydrophobicContact CD2-CB 4.22Å; Y34-H43 HydrophobicContact CE1-CB 3.91Å; Y34-H43 HydrophobicContact CE2-CB 3.74Å; Y34-H43 AromaticContact CE2-CD2 3.79Å; Y34-H43 AromaticContact CE2-CG 3.94Å; Y34-H43 PolarHBondContact N-O 3.19Å; Y34-H43 VanDerWaalsContact N-O 3.11Å; Y34-H43 PolarHBondContact O-N 2.99Å; Y34-R45 VanDerWaalsContact CE1-NH2 3.25Å; Y34-R45 VanDerWaalsContact CZ-NH2 3.34Å; Y34-R45 PolarHBondContact OH-NH2 3.48Å
35W94.9Very high92.4Very high16 Ų1656.4 Ų56.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-68.2138.9172.2-71101.6000111.9K21 V24 D25 F102 R104K21-W35 HydrophobicContact CD-CH2 4.42Å; K21-W35 HydrophobicContact CD-CZ2 3.87Å; V24-W35 HydrophobicContact CB-CZ2 4.19Å; V24-W35 HydrophobicContact CG1-CD2 3.68Å; V24-W35 VanDerWaalsContact CG1-CE2 3.49Å; V24-W35 HydrophobicContact CG1-CE3 4.34Å; V24-W35 HydrophobicContact CG1-CG 3.84Å; V24-W35 HydrophobicContact CG1-CZ2 4Å; V24-W35 PolarHBondContact O-NE1 2.93Å; V24-W35 VanDerWaalsContact O-NE1 3.14Å; D25-W35 PolarHBondContact OD1-NE1 3.08Å; W35-F102 AromaticContact CH2-CD1 3.5Å; W35-F102 HydrophobicContact CH2-CD1 3.5Å; W35-F102 VanDerWaalsContact CH2-CD1 3.5Å; W35-F102 AromaticContact CH2-CE1 3.17Å; W35-F102 HydrophobicContact CH2-CE1 3.17Å; W35-F102 HydrophobicContact CH2-CG 4.37Å; W35-F102 AromaticContact CH2-CZ 3.81Å; W35-F102 HydrophobicContact CH2-CZ 3.81Å; W35-F102 AromaticContact CZ2-CE1 3.9Å; W35-F102 HydrophobicContact CZ2-CE1 3.9Å; W35-F102 HydrophobicContact CZ2-CZ 4.2Å; W35-F102 AromaticContact CZ3-CD1 3.77Å; W35-F102 HydrophobicContact CZ3-CD1 3.77Å; W35-F102 AromaticContact CZ3-CE1 3.72Å; W35-F102 HydrophobicContact CZ3-CE1 3.72Å; W35-R104 HydrophobicContact CD2-CB 3.83Å; W35-R104 HydrophobicContact CD2-CG 4.01Å; W35-R104 HydrophobicContact CE3-CB 3.99Å; W35-R104 HydrophobicContact CG-CB 4.3Å; W35-R104 HydrophobicContact CG-CG 4.09Å; W35-R104 HydrophobicContact CH2-CB 4.42Å; W35-R104 HydrophobicContact CZ2-CB 4.3Å; W35-R104 HydrophobicContact CZ3-CB 4.28Å
36D92.9Very high92.2Very high8 Ų856.5 Ų56.54%0.04328%0.28CS..  trans-57149.6162.3-175.987.6000110.5H38 G39 S41 H43 R81D36-H38 PolarHBondContact O-N 2.85Å; D36-H38 IonicContact OD2-CD2 3.91Å; D36-H38 PolarHBondContact OD2-CD2 2.91Å; D36-H38 VanDerWaalsContact OD2-CD2 3.31Å; D36-H38 IonicContact OD2-CG 3.24Å; D36-H38 PolarHBondContact OD2-N 3.49Å; D36-G39 WeakPolarHBondContact O-CA 3.47Å; D36-G39 PolarHBondContact O-N 3.03Å; D36-S41 WeakPolarHBondContact CB-O 3.33Å; D36-S41 WeakPolarHBondContact CB-OG 3.34Å; D36-S41 PolarHBondContact N-O 3.43Å; D36-H43 IonicContact OD1-CD2 3.58Å; D36-H43 IonicContact OD1-CE1 2.83Å; D36-H43 IonicContact OD1-NE2 3.48Å; D36-H43 PolarHBondContact OD1-NE2 3.18Å; D36-R81 IonicContact OD1-CZ 2.69Å; D36-R81 IonicContact OD1-NH1 2.62Å; D36-R81 IonicContact OD1-NH2 2.71Å; D36-R81 PolarHBondContact OD1-NH2 2.81Å
37P90.7Very high92.2Very high123 Ų12354 Ų5480%0.79927%0.267SS*.THydrogen-bonded Turntrans-51.9-28.3178.6-30.337.4000115.1
38H91.3Very high92.2Very high156 Ų15651 Ų5172%0.72226%0.256SS*.THydrogen-bonded Turntrans-83.6-11.3176-60.1-67000114.2D36 T40D36-H38 PolarHBondContact O-N 2.85Å; D36-H38 IonicContact OD2-CD2 3.91Å; D36-H38 PolarHBondContact OD2-CD2 2.91Å; D36-H38 VanDerWaalsContact OD2-CD2 3.31Å; D36-H38 IonicContact OD2-CG 3.24Å; D36-H38 PolarHBondContact OD2-N 3.49Å; H38-T40 PolarHBondContact O-N 3.02Å
39G92.1Very high92.3Very high6 Ų646.9 Ų46.96%0.06223%0.233CC..SBendtrans6914.5179.500000115.1D36 I103 R104D36-G39 WeakPolarHBondContact O-CA 3.47Å; D36-G39 PolarHBondContact O-N 3.03Å; G39-I103 CarbonylContact O-C 3.54Å; G39-I103 WeakPolarHBondContact O-CA 3.36Å; G39-I103 WeakPolarHBondContact O-CG2 3.26Å; G39-R104 PolarHBondContact O-N 3.34Å
40T92.7Very high92.3Very high64 Ų6446.6 Ų46.639%0.39323%0.231SC..SBendtrans-101.2-8.7-178.551.20000113.7H38 S98H38-T40 PolarHBondContact O-N 3.02Å; T40-S98 PolarHBondContact O-OG 2.94Å
41S93.9Very high92.4Very high3 Ų343.8 Ų43.82%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-147.4167.8177.152.70000109.4D36 E96 F97D36-S41 WeakPolarHBondContact CB-O 3.33Å; D36-S41 WeakPolarHBondContact CB-OG 3.34Å; D36-S41 PolarHBondContact N-O 3.43Å; S41-E96 VanDerWaalsContact CB-OE1 3.24Å; S41-E96 WeakPolarHBondContact CB-OE1 3.48Å; S41-E96 PolarHBondContact OG-OE1 3.04Å; S41-F97 WeakPolarHBondContact CA-O 3.39Å; S41-F97 WeakPolarHBondContact CB-O 3.45Å
42F95Very high92.5Very high0 Ų045.2 Ų45.20%022%0.222CC..EExtended strand (participates in β ladder)trans-131.8149.6172.168.1-90.4000110.2L20 V24 I33 Y34 I44 L71 F76 E96 F97 F102L20-F42 HydrophobicContact CD1-CZ 4.12Å; L20-F42 HydrophobicContact CD2-CE1 4.43Å; V24-F42 HydrophobicContact CG1-CB 3.59Å; V24-F42 HydrophobicContact CG1-CG 4.25Å; V24-F42 HydrophobicContact CG2-CB 4.37Å; V24-F42 HydrophobicContact CG2-CD2 4.25Å; V24-F42 HydrophobicContact CG2-CG 4.16Å; I33-F42 HydrophobicContact CD1-CD2 3.86Å; I33-F42 HydrophobicContact CD1-CE2 3.94Å; I33-F42 HydrophobicContact CG1-CD2 4Å; Y34-F42 CarbonylContact O-C 3.43Å; Y34-F42 VanDerWaalsContact O-CA 3.26Å; Y34-F42 WeakPolarHBondContact O-CA 3.49Å; Y34-F42 WeakPolarHBondContact O-CB 3.42Å; F42-I44 HydrophobicContact CD2-CG1 4.31Å; F42-I44 HydrophobicContact CE2-CD1 4.17Å; F42-I44 HydrophobicContact CE2-CG1 4.1Å; F42-L71 HydrophobicContact CE1-CD2 4.44Å; F42-L71 HydrophobicContact CE2-CD1 4.5Å; F42-L71 HydrophobicContact CZ-CD1 3.94Å; F42-L71 HydrophobicContact CZ-CD2 3.85Å; F42-F76 AromaticContact CE1-CD1 3.88Å; F42-F76 HydrophobicContact CE1-CD1 3.88Å; F42-F76 AromaticContact CE1-CE1 3.78Å; F42-F76 HydrophobicContact CE1-CE1 3.78Å; F42-E96 CarbonylContact O-C 3.57Å; F42-E96 WeakPolarHBondContact O-CA 3.45Å; F42-F97 HydrophobicContact CD1-CB 4.38Å; F42-F97 HydrophobicContact CE1-CB 3.8Å; F42-F97 HydrophobicContact CE2-CB 4.02Å; F42-F97 HydrophobicContact CE2-CD2 4.27Å; F42-F97 HydrophobicContact CE2-CG 4.48Å; F42-F97 HydrophobicContact CZ-CB 3.6Å; F42-F97 HydrophobicContact CZ-CD2 4.47Å; F42-F97 HydrophobicContact CZ-CG 4.25Å; F42-F97 PolarHBondContact N-O 2.94Å; F42-F97 PolarHBondContact O-N 2.88Å; F42-F102 HydrophobicContact CD1-CD1 4.05Å; F42-F102 AromaticContact CD1-CE1 3.72Å; F42-F102 HydrophobicContact CD1-CE1 3.72Å; F42-F102 HydrophobicContact CE1-CD1 4.31Å; F42-F102 HydrophobicContact CE1-CE1 4.05Å
43H94Very high92.5Very high16 Ų1649.1 Ų49.17%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-106143.6-179.1-65-83.7000109.8I33 Y34 D36 R81 E96I33-H43 VanDerWaalsContact CA-O 3.29Å; I33-H43 WeakPolarHBondContact CA-O 3.39Å; Y34-H43 HydrophobicContact CD1-CB 4.37Å; Y34-H43 HydrophobicContact CD2-CB 4.22Å; Y34-H43 HydrophobicContact CE1-CB 3.91Å; Y34-H43 HydrophobicContact CE2-CB 3.74Å; Y34-H43 AromaticContact CE2-CD2 3.79Å; Y34-H43 AromaticContact CE2-CG 3.94Å; Y34-H43 PolarHBondContact N-O 3.19Å; Y34-H43 VanDerWaalsContact N-O 3.11Å; Y34-H43 PolarHBondContact O-N 2.99Å; D36-H43 IonicContact OD1-CD2 3.58Å; D36-H43 IonicContact OD1-CE1 2.83Å; D36-H43 IonicContact OD1-NE2 3.48Å; D36-H43 PolarHBondContact OD1-NE2 3.18Å; H43-R81 PolarHBondContact CE1-NH2 2.86Å; H43-E96 IonicContact CE1-OE1 3.59Å; H43-E96 IonicContact CE1-OE2 3.96Å; H43-E96 IonicContact NE2-OE1 3.58Å
44I94.1Very high92.4Very high0 Ų050 Ų500%024%0.244CC..EExtended strand (participates in β ladder)trans-116.7118.8167.6-58.6174.5000105.9L32 I33 F42 L50 F67 E93 D94 M95 F97L32-I44 WeakPolarHBondContact O-CA 3.47Å; I33-I44 HydrophobicContact CD1-CG1 4.21Å; I33-I44 HydrophobicContact CG1-CG1 4.35Å; F42-I44 HydrophobicContact CD2-CG1 4.31Å; F42-I44 HydrophobicContact CE2-CD1 4.17Å; F42-I44 HydrophobicContact CE2-CG1 4.1Å; I44-L50 HydrophobicContact CG2-CB 4.49Å; I44-L50 HydrophobicContact CG2-CD1 4.16Å; I44-F67 HydrophobicContact CD1-CD1 4.47Å; I44-F67 HydrophobicContact CD1-CE1 3.83Å; I44-E93 VanDerWaalsContact O-O 3.12Å; I44-D94 CarbonylContact O-C 3.44Å; I44-D94 WeakPolarHBondContact O-CA 3.26Å; I44-M95 HydrophobicContact CB-CB 4.41Å; I44-M95 PolarHBondContact N-O 3.38Å; I44-M95 PolarHBondContact O-N 2.9Å; I44-F97 HydrophobicContact CD1-CD2 3.98Å; I44-F97 HydrophobicContact CD1-CE2 3.81Å
45R89.4Confident92.4Very high98 Ų9847.6 Ų47.637%0.3724%0.235SC..SBendtrans-84.8-69-176.2179.8173.7-64.5141.72.8112.3E31 L32 Y34 E93 D94E31-R45 PolarHBondContact O-NH1 2.78Å; L32-R45 PolarHBondContact O-N 3.33Å; Y34-R45 VanDerWaalsContact CE1-NH2 3.25Å; Y34-R45 VanDerWaalsContact CZ-NH2 3.34Å; Y34-R45 PolarHBondContact OH-NH2 3.48Å; R45-E93 CarbonylContact O-C 3.46Å; R45-E93 WeakPolarHBondContact O-CB 3.45Å; R45-E93 VanDerWaalsContact O-O 3.12Å; R45-D94 WeakPolarHBondContact CA-OD1 3.42Å; R45-D94 WeakPolarHBondContact CG-OD1 3.46Å; R45-D94 PolarHBondContact O-N 2.86Å
46D88.3Confident92.3Very high53 Ų5350 Ų5028%0.28325%0.252SS..  trans-101.190.7176.3-71.2-38.4000109.1L32 N48 R49 L50L32-D46 HydrophobicContact CD2-CB 3.96Å; D46-N48 PolarHBondContact O-N 2.83Å; D46-R49 HydrophobicContact CB-CB 3.74Å; D46-R49 HydrophobicContact CB-CG 3.93Å; D46-R49 PolarHBondContact O-N 2.82Å; D46-L50 PolarHBondContact O-N 3.2Å
47G91.6Very high92.2Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-53.9-40.8178.600000112.4A51 E93G47-A51 VanDerWaalsContact O-CB 3.3Å; G47-A51 WeakPolarHBondContact O-CB 3.33Å; G47-A51 PolarHBondContact O-N 3.42Å; G47-E93 WeakPolarHBondContact CA-OE2 3.45Å; G47-E93 PolarHBondContact N-OE2 3.03Å; G47-E93 VanDerWaalsContact N-OE2 3.15Å
48N90.7Very high92.2Very high95 Ų9552 Ų5251%0.50825%0.253SS..Hα-helixtrans-66.3-35.3176-78-74.8000114.9D46 K52 E93D46-N48 PolarHBondContact O-N 2.83Å; N48-K52 PolarHBondContact O-N 3.31Å; N48-E93 PolarHBondContact N-OE2 3.47Å; N48-E93 PolarHBondContact ND2-OE1 3.5Å; N48-E93 PolarHBondContact ND2-OE2 3.37Å
49R92Very high92.3Very high90 Ų9045.7 Ų45.734%0.3422%0.224SC..Hα-helixtrans-74.4-46.5176.3-76-171.962.6-152.8-7.3111E31 L32 D46 A51 K52 E53E31-R49 IonicContact OE2-NH2 2.78Å; L32-R49 HydrophobicContact CD1-CB 4.13Å; L32-R49 HydrophobicContact CD2-CB 3.57Å; L32-R49 HydrophobicContact CD2-CG 4.44Å; D46-R49 HydrophobicContact CB-CB 3.74Å; D46-R49 HydrophobicContact CB-CG 3.93Å; D46-R49 PolarHBondContact O-N 2.82Å; R49-A51 PolarHBondContact O-N 3.08Å; R49-A51 VanDerWaalsContact O-N 3.16Å; R49-K52 PolarHBondContact O-N 3.15Å; R49-E53 WeakPolarHBondContact CB-OE1 3.47Å; R49-E53 IonicContact CZ-OE1 2.69Å; R49-E53 IonicContact CZ-OE2 3.76Å; R49-E53 IonicContact NE-OE1 3.87Å; R49-E53 PolarHBondContact NE-OE1 3.27Å; R49-E53 IonicContact NE-OE2 3.85Å; R49-E53 IonicContact NH2-OE1 2.67Å; R49-E53 PolarHBondContact NH2-OE1 2.82Å; R49-E53 IonicContact NH2-OE2 3.81Å; R49-E53 PolarHBondContact NH2-OE2 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.3Å; R49-E53 PolarHBondContact O-N 3.43Å
50L92.5Very high92.4Very high0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-52.9-39.1173.9177.9136.7000111.7L32 I33 I44 D46 K52 L54 L55 L64L32-L50 HydrophobicContact CB-CB 4.46Å; I33-L50 HydrophobicContact CB-CD1 3.59Å; I33-L50 HydrophobicContact CD1-CD1 3.97Å; I33-L50 HydrophobicContact CG1-CD1 4.33Å; I33-L50 HydrophobicContact CG2-CD1 3.77Å; I44-L50 HydrophobicContact CG2-CB 4.49Å; I44-L50 HydrophobicContact CG2-CD1 4.16Å; D46-L50 PolarHBondContact O-N 3.2Å; L50-K52 PolarHBondContact O-N 2.94Å; L50-L54 HydrophobicContact CD1-CD1 4.31Å; L50-L54 HydrophobicContact CG-CB 4.47Å; L50-L54 HydrophobicContact CG-CD1 4.47Å; L50-L54 PolarHBondContact O-N 3.43Å; L50-L54 VanDerWaalsContact O-N 3.15Å; L50-L55 HydrophobicContact CD2-CD1 4.26Å; L50-L55 HydrophobicContact CD2-CD2 3.81Å; L50-L55 HydrophobicContact CD2-CG 3.82Å; L50-L55 PolarHBondContact O-N 3.21Å; L50-L64 HydrophobicContact CD2-CD1 3.75Å
51A93.2Very high92.3Very high8 Ų855.5 Ų55.57%0.06626%0.26CS..Hα-helixtrans-61.5-37.9176.600000114G47 R49 L55 N62 L64G47-A51 VanDerWaalsContact O-CB 3.3Å; G47-A51 WeakPolarHBondContact O-CB 3.33Å; G47-A51 PolarHBondContact O-N 3.42Å; R49-A51 PolarHBondContact O-N 3.08Å; R49-A51 VanDerWaalsContact O-N 3.16Å; A51-L55 HydrophobicContact CB-CD1 4.35Å; A51-N62 CarbonylContact C-O 3.54Å; A51-N62 WeakPolarHBondContact CB-O 3.48Å; A51-N62 CarbonylContact O-C 3.59Å; A51-N62 VanDerWaalsContact O-CA 3.26Å; A51-N62 WeakPolarHBondContact O-CA 3.39Å; A51-N62 WeakPolarHBondContact O-CB 3.4Å; A51-L64 HydrophobicContact CB-CB 4.12Å
52K92.5Very high92.4Very high157 Ų15760.4 Ų60.468%0.68329%0.286SS*.Hα-helixtrans-88.3-43.7-177.5-68.2176.2-178176.70113N48 R49 L50 P56N48-K52 PolarHBondContact O-N 3.31Å; R49-K52 PolarHBondContact O-N 3.15Å; L50-K52 PolarHBondContact O-N 2.94Å; K52-P56 WeakPolarHBondContact O-CG 3.36Å
53E92.7Very high92.3Very high86 Ų8664 Ų6440%0.40231%0.305SS..Hα-helixtrans-87.9-48.3-169.6-67164.9-134.300111.5L32 R49 L57L32-E53 HydrophobicContact CD1-CB 4.34Å; R49-E53 WeakPolarHBondContact CB-OE1 3.47Å; R49-E53 IonicContact CZ-OE1 2.69Å; R49-E53 IonicContact CZ-OE2 3.76Å; R49-E53 IonicContact NE-OE1 3.87Å; R49-E53 PolarHBondContact NE-OE1 3.27Å; R49-E53 IonicContact NE-OE2 3.85Å; R49-E53 IonicContact NH2-OE1 2.67Å; R49-E53 PolarHBondContact NH2-OE1 2.82Å; R49-E53 IonicContact NH2-OE2 3.81Å; R49-E53 PolarHBondContact NH2-OE2 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.3Å; R49-E53 PolarHBondContact O-N 3.43Å; E53-L57 WeakPolarHBondContact O-CD1 3.32Å
54L92.7Very high92.3Very high20 Ų2064.3 Ų64.311%0.10531%0.307CS..THydrogen-bonded Turntrans-100.3-42.4-170.1-59.9178.6000113.9L23 T29 L32 I33 L50 P56 L57 Y58L23-L54 HydrophobicContact CD1-CB 4.08Å; L23-L54 HydrophobicContact CD1-CD1 4.06Å; T29-L54 HydrophobicContact CG2-CD1 4.1Å; T29-L54 HydrophobicContact CG2-CD2 3.87Å; L32-L54 HydrophobicContact CB-CD1 3.96Å; L32-L54 HydrophobicContact CD1-CD1 3.9Å; L32-L54 HydrophobicContact CD1-CG 4.09Å; I33-L54 HydrophobicContact CG2-CD1 3.92Å; L50-L54 HydrophobicContact CD1-CD1 4.31Å; L50-L54 HydrophobicContact CG-CB 4.47Å; L50-L54 HydrophobicContact CG-CD1 4.47Å; L50-L54 PolarHBondContact O-N 3.43Å; L50-L54 VanDerWaalsContact O-N 3.15Å; L54-P56 VanDerWaalsContact C-CD 3.45Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-L57 VanDerWaalsContact O-N 3.09Å; L54-Y58 WeakPolarHBondContact O-CD2 3.46Å; L54-Y58 PolarHBondContact O-N 3.48Å
55L92.7Very high92.3Very high0 Ų068.5 Ų68.50%034%0.336CS..Hα-helixtrans-56.8-37.6-176.2-68.3-171.6000114.4L50 A51 L57 F59 H61 F67L50-L55 HydrophobicContact CD2-CD1 4.26Å; L50-L55 HydrophobicContact CD2-CD2 3.81Å; L50-L55 HydrophobicContact CD2-CG 3.82Å; L50-L55 PolarHBondContact O-N 3.21Å; A51-L55 HydrophobicContact CB-CD1 4.35Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.45Å; L55-F59 HydrophobicContact CD2-CD2 3.82Å; L55-F59 HydrophobicContact CD2-CE2 4.26Å; L55-F59 CarbonylContact O-C 3.53Å; L55-F59 VanDerWaalsContact O-CA 3.31Å; L55-F59 WeakPolarHBondContact O-CA 3.43Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å; L55-H61 CarbonylContact C-O 3.59Å; L55-H61 WeakPolarHBondContact CB-O 3.01Å; L55-F67 HydrophobicContact CD1-CB 3.94Å; L55-F67 HydrophobicContact CD2-CB 4Å; L55-F67 HydrophobicContact CD2-CD1 4.5Å; L55-F67 HydrophobicContact CD2-CD2 3.69Å; L55-F67 HydrophobicContact CD2-CE2 4.24Å; L55-F67 HydrophobicContact CD2-CG 3.83Å
56P92.8Very high92.5Very high66 Ų6666 Ų6643%0.42933%0.333SS..Hα-helixtrans-67.1-27.8177.6-22.735.8000114.5K52 L54 F59 N62K52-P56 WeakPolarHBondContact O-CG 3.36Å; L54-P56 VanDerWaalsContact C-CD 3.45Å; P56-F59 CarbonylContact C-O 3.08Å; P56-N62 HydrophobicContact CG-CB 4.03Å
57L91.6Very high92.8Very high131 Ų13163.4 Ų63.469%0.68632%0.32SS*.Hα-helixtrans-74.5-43.6179.9-58.5175.6000110.7E53 L54 L55E53-L57 WeakPolarHBondContact O-CD1 3.32Å; L54-L57 PolarHBondContact O-N 3.25Å; L54-L57 VanDerWaalsContact O-N 3.09Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.45Å
58Y91.5Very high93Very high44 Ų4465.2 Ų65.217%0.17333%0.329CS..Hα-helixtrans-91.9-32.1-176.9-67.3-102.4000112.8K19 L22 L23 D26 L54K19-Y58 WeakPolarHBondContact CD-O 3.41Å; K19-Y58 WeakPolarHBondContact CE-O 3.41Å; K19-Y58 PolarHBondContact NZ-O 2.99Å; L22-Y58 HydrophobicContact CB-CE1 4.38Å; L23-Y58 HydrophobicContact CB-CD1 3.98Å; L23-Y58 HydrophobicContact CB-CE1 4Å; L23-Y58 HydrophobicContact CB-CG 4.37Å; L23-Y58 HydrophobicContact CD1-CD1 4.46Å; L23-Y58 HydrophobicContact CD1-CD2 3.77Å; L23-Y58 HydrophobicContact CD1-CE1 4.37Å; L23-Y58 HydrophobicContact CD1-CE2 3.68Å; L23-Y58 HydrophobicContact CD1-CG 4.18Å; D26-Y58 PolarHBondContact OD2-OH 3.09Å; L54-Y58 WeakPolarHBondContact O-CD2 3.46Å; L54-Y58 PolarHBondContact O-N 3.48Å
59F93.4Very high93.1Very high23 Ų2369.1 Ų69.110%0.10134%0.337CS..SBendtrans-129.6158.8-172.6-57.6-75.9000112.7F16 K19 L23 L55 P56 H61 F67F16-F59 HydrophobicContact CD2-CD1 4.32Å; F16-F59 AromaticContact CD2-CE1 3.47Å; F16-F59 HydrophobicContact CD2-CE1 3.47Å; F16-F59 VanDerWaalsContact CD2-CE1 3.47Å; F16-F59 AromaticContact CD2-CZ 3.88Å; F16-F59 HydrophobicContact CD2-CZ 3.88Å; F16-F59 AromaticContact CE2-CE1 3.88Å; F16-F59 HydrophobicContact CE2-CE1 3.88Å; F16-F59 AromaticContact CE2-CZ 3.85Å; F16-F59 HydrophobicContact CE2-CZ 3.85Å; F16-F59 HydrophobicContact CG-CE1 4.44Å; K19-F59 HydrophobicContact CB-CE1 3.9Å; K19-F59 HydrophobicContact CB-CZ 3.89Å; K19-F59 HydrophobicContact CD-CD1 4.5Å; K19-F59 HydrophobicContact CD-CE1 4.23Å; L23-F59 HydrophobicContact CD2-CE2 4.02Å; L55-F59 HydrophobicContact CD2-CD2 3.82Å; L55-F59 HydrophobicContact CD2-CE2 4.26Å; L55-F59 CarbonylContact O-C 3.53Å; L55-F59 VanDerWaalsContact O-CA 3.31Å; L55-F59 WeakPolarHBondContact O-CA 3.43Å; L55-F59 WeakPolarHBondContact O-CB 3.31Å; L55-F59 PolarHBondContact O-N 3.42Å; P56-F59 CarbonylContact C-O 3.08Å; F59-H61 PolarHBondContact O-N 3.31Å; F59-F67 HydrophobicContact CD2-CD2 4.29Å; F59-F67 AromaticContact CE2-CD2 3.85Å; F59-F67 HydrophobicContact CE2-CD2 3.85Å; F59-F67 AromaticContact CE2-CE2 3.74Å; F59-F67 HydrophobicContact CE2-CE2 3.74Å; F59-F67 HydrophobicContact CZ-CD2 4.33Å; F59-F67 HydrophobicContact CZ-CE2 4.13Å
60K92.4Very high93.2Very high222 Ų22267.5 Ų67.597%0.96533%0.333SS*.SBendtrans-82.636.9-178.9-61.5-171177-172.30113.1
61H92.5Very high93.4Very high54 Ų5467.5 Ų67.525%0.2533%0.333CS..  trans-163.2153.4177.65859.2000111L55 F59L55-H61 CarbonylContact C-O 3.59Å; L55-H61 WeakPolarHBondContact CB-O 3.01Å; F59-H61 PolarHBondContact O-N 3.31Å
62N94Very high93.4Very high106 Ų10671 Ų7157%0.56735%0.35SS*.  trans-99.310.1170.665.4-13.3000113.1A51 P56A51-N62 CarbonylContact C-O 3.54Å; A51-N62 WeakPolarHBondContact CB-O 3.48Å; A51-N62 CarbonylContact O-C 3.59Å; A51-N62 VanDerWaalsContact O-CA 3.26Å; A51-N62 WeakPolarHBondContact O-CA 3.39Å; A51-N62 WeakPolarHBondContact O-CB 3.4Å; P56-N62 HydrophobicContact CG-CB 4.03Å
63N94.1Very high93.5Very high74 Ų7465.4 Ų65.440%0.39633%0.327SS..  trans-96.3113.8-171.5-174.2-24.4000112.1S65 S66 F67N63-S65 VanDerWaalsContact C-N 3.31Å; N63-S65 PolarHBondContact O-N 3.16Å; N63-S65 WeakPolarHBondContact OD1-CA 3.34Å; N63-S65 VanDerWaalsContact OD1-CB 3.24Å; N63-S65 WeakPolarHBondContact OD1-CB 3.43Å; N63-S65 PolarHBondContact OD1-N 2.96Å; N63-S65 PolarHBondContact OD1-OG 3.46Å; N63-S66 WeakPolarHBondContact O-CB 3.24Å; N63-S66 PolarHBondContact O-N 2.96Å; N63-F67 PolarHBondContact O-N 3.48Å
64L93.6Very high93.6Very high24 Ų2462.3 Ų62.313%0.12631%0.312CS..Hα-helixtrans-56.1-40.3177-172.567.1000113.2L50 A51 S66 F67 I68 M95L50-L64 HydrophobicContact CD2-CD1 3.75Å; A51-L64 HydrophobicContact CB-CB 4.12Å; L64-S66 PolarHBondContact O-N 3.23Å; L64-F67 HydrophobicContact CD1-CD1 4.34Å; L64-F67 WeakPolarHBondContact O-CB 3.42Å; L64-F67 PolarHBondContact O-N 2.98Å; L64-I68 HydrophobicContact CD1-CD1 4.43Å; L64-I68 HydrophobicContact CD2-CD1 4.21Å; L64-I68 HydrophobicContact CG-CD1 3.85Å; L64-I68 HydrophobicContact CG-CG1 4.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.04Å; L64-M95 HydrophobicContact CD2-CE 4.08Å
65S93.8Very high93.6Very high87 Ų8761.6 Ų61.661%0.60831%0.309SS*.Hα-helixtrans-61.8-30.9177.8-53.60000112.2N63 R69N63-S65 VanDerWaalsContact C-N 3.31Å; N63-S65 PolarHBondContact O-N 3.16Å; N63-S65 WeakPolarHBondContact OD1-CA 3.34Å; N63-S65 VanDerWaalsContact OD1-CB 3.24Å; N63-S65 WeakPolarHBondContact OD1-CB 3.43Å; N63-S65 PolarHBondContact OD1-N 2.96Å; N63-S65 PolarHBondContact OD1-OG 3.46Å; S65-R69 VanDerWaalsContact O-CB 3.24Å; S65-R69 WeakPolarHBondContact O-CB 3.33Å; S65-R69 PolarHBondContact O-N 3.06Å
66S93.8Very high93.8Very high45 Ų4561.9 Ų61.932%0.31531%0.311SS..Hα-helixtrans-72.7-37.9174.3-66.70000112N63 L64 R69 Q70N63-S66 WeakPolarHBondContact O-CB 3.24Å; N63-S66 PolarHBondContact O-N 2.96Å; L64-S66 PolarHBondContact O-N 3.23Å; S66-R69 PolarHBondContact O-N 2.96Å; S66-Q70 WeakPolarHBondContact O-CG 3.5Å; S66-Q70 PolarHBondContact O-N 3.15Å; S66-Q70 VanDerWaalsContact O-N 3.13Å
67F95.2Very high93.8Very high0 Ų067.1 Ų67.10%032%0.322CS..Hα-helixtrans-64.6-50.5173.5177.2-104.7000111.8F16 L20 L23 I33 I44 L55 F59 N63 L64 R69 Q70 L71F16-F67 AromaticContact CE2-CD2 3.99Å; F16-F67 HydrophobicContact CE2-CD2 3.99Å; F16-F67 HydrophobicContact CE2-CE2 4.12Å; F16-F67 HydrophobicContact CZ-CD2 4.32Å; F16-F67 HydrophobicContact CZ-CE2 4.18Å; L20-F67 HydrophobicContact CD1-CE2 3.81Å; L20-F67 HydrophobicContact CD1-CZ 3.5Å; L23-F67 HydrophobicContact CD2-CE2 4.29Å; L23-F67 HydrophobicContact CD2-CZ 4.44Å; I33-F67 HydrophobicContact CD1-CZ 4.48Å; I44-F67 HydrophobicContact CD1-CD1 4.47Å; I44-F67 HydrophobicContact CD1-CE1 3.83Å; L55-F67 HydrophobicContact CD1-CB 3.94Å; L55-F67 HydrophobicContact CD2-CB 4Å; L55-F67 HydrophobicContact CD2-CD1 4.5Å; L55-F67 HydrophobicContact CD2-CD2 3.69Å; L55-F67 HydrophobicContact CD2-CE2 4.24Å; L55-F67 HydrophobicContact CD2-CG 3.83Å; F59-F67 HydrophobicContact CD2-CD2 4.29Å; F59-F67 AromaticContact CE2-CD2 3.85Å; F59-F67 HydrophobicContact CE2-CD2 3.85Å; F59-F67 AromaticContact CE2-CE2 3.74Å; F59-F67 HydrophobicContact CE2-CE2 3.74Å; F59-F67 HydrophobicContact CZ-CD2 4.33Å; F59-F67 HydrophobicContact CZ-CE2 4.13Å; N63-F67 PolarHBondContact O-N 3.48Å; L64-F67 HydrophobicContact CD1-CD1 4.34Å; L64-F67 WeakPolarHBondContact O-CB 3.42Å; L64-F67 PolarHBondContact O-N 2.98Å; F67-R69 VanDerWaalsContact C-N 3.27Å; F67-R69 PolarHBondContact O-N 3.06Å; F67-Q70 WeakPolarHBondContact O-CB 3.31Å; F67-Q70 PolarHBondContact O-N 3.24Å; F67-L71 HydrophobicContact CD1-CD1 4.08Å; F67-L71 HydrophobicContact CE1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 4.26Å; F67-L71 PolarHBondContact O-N 2.8Å
68I94.5Very high94Very high37 Ų3765.8 Ų65.819%0.1931%0.311CS..Hα-helixtrans-59.5-37.9175.6-65.9173.4000111.1L64 Q70 L71 N72 M95 F97L64-I68 HydrophobicContact CD1-CD1 4.43Å; L64-I68 HydrophobicContact CD2-CD1 4.21Å; L64-I68 HydrophobicContact CG-CD1 3.85Å; L64-I68 HydrophobicContact CG-CG1 4.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.04Å; I68-Q70 VanDerWaalsContact C-N 3.35Å; I68-Q70 PolarHBondContact O-N 3.33Å; I68-L71 WeakPolarHBondContact O-CB 3.32Å; I68-L71 PolarHBondContact O-N 2.94Å; I68-N72 VanDerWaalsContact O-CG 3.29Å; I68-N72 PolarHBondContact O-N 2.93Å; I68-N72 PolarHBondContact O-ND2 3.15Å; I68-M95 HydrophobicContact CD1-SD 4.5Å; I68-F97 HydrophobicContact CD1-CZ 4.3Å; I68-F97 HydrophobicContact CG1-CZ 4.02Å; I68-F97 HydrophobicContact CG2-CE1 4.36Å; I68-F97 HydrophobicContact CG2-CZ 4.25Å
69R94.1Very high93.9Very high177 Ų17766.9 Ų66.967%0.66832%0.319SS*.Hα-helixtrans-60.2-41.9173.3-177.9178-179.3177.52.8112.1S65 S66 F67 N72 M73S65-R69 VanDerWaalsContact O-CB 3.24Å; S65-R69 WeakPolarHBondContact O-CB 3.33Å; S65-R69 PolarHBondContact O-N 3.06Å; S66-R69 PolarHBondContact O-N 2.96Å; F67-R69 VanDerWaalsContact C-N 3.27Å; F67-R69 PolarHBondContact O-N 3.06Å; R69-N72 PolarHBondContact O-N 2.83Å; R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.71Å
70Q94.4Very high93.2Very high56 Ų5671.4 Ų71.426%0.26234%0.344SS..Hα-helixtrans-63.9-47.6175.4-64.7-71.96.700110.9F16 S66 F67 I68 N72 M73 Y74F16-Q70 HydrophobicContact CD1-CB 4.32Å; F16-Q70 HydrophobicContact CD2-CB 3.7Å; F16-Q70 HydrophobicContact CD2-CG 3.99Å; F16-Q70 HydrophobicContact CE1-CB 3.98Å; F16-Q70 HydrophobicContact CE2-CB 3.33Å; F16-Q70 HydrophobicContact CE2-CG 3.94Å; F16-Q70 HydrophobicContact CG-CB 4.2Å; F16-Q70 HydrophobicContact CZ-CB 3.49Å; F16-Q70 VanDerWaalsContact CZ-CB 3.49Å; S66-Q70 WeakPolarHBondContact O-CG 3.5Å; S66-Q70 PolarHBondContact O-N 3.15Å; S66-Q70 VanDerWaalsContact O-N 3.13Å; F67-Q70 WeakPolarHBondContact O-CB 3.31Å; F67-Q70 PolarHBondContact O-N 3.24Å; I68-Q70 VanDerWaalsContact C-N 3.35Å; I68-Q70 PolarHBondContact O-N 3.33Å; Q70-N72 VanDerWaalsContact C-N 3.3Å; Q70-N72 PolarHBondContact O-N 2.9Å; Q70-M73 WeakPolarHBondContact O-CA 3.37Å; Q70-M73 WeakPolarHBondContact O-CB 3.29Å; Q70-M73 PolarHBondContact O-N 3.25Å; Q70-Y74 WeakPolarHBondContact O-CD2 3.28Å; Q70-Y74 PolarHBondContact O-N 3.27Å
71L95.5Very high92.2Very high0 Ų068 Ų680%033%0.325CS..Hα-helixtrans-50.2-50.4174.3-68.2177.3000111.5F16 L20 F42 F67 I68 M73 Y74 G75 F76 F97F16-L71 HydrophobicContact CE1-CD2 4.02Å; F16-L71 HydrophobicContact CZ-CD2 3.84Å; F16-L71 HydrophobicContact CZ-CG 4.15Å; L20-L71 HydrophobicContact CD1-CD2 4.22Å; L20-L71 HydrophobicContact CD2-CD2 3.57Å; F42-L71 HydrophobicContact CE1-CD2 4.44Å; F42-L71 HydrophobicContact CE2-CD1 4.5Å; F42-L71 HydrophobicContact CZ-CD1 3.94Å; F42-L71 HydrophobicContact CZ-CD2 3.85Å; F67-L71 HydrophobicContact CD1-CD1 4.08Å; F67-L71 HydrophobicContact CE1-CD1 3.71Å; F67-L71 HydrophobicContact CE1-CG 4.36Å; F67-L71 HydrophobicContact CZ-CD1 4.26Å; F67-L71 PolarHBondContact O-N 2.8Å; I68-L71 WeakPolarHBondContact O-CB 3.32Å; I68-L71 PolarHBondContact O-N 2.94Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-M73 PolarHBondContact O-N 2.75Å; L71-Y74 CarbonylContact O-C 3.46Å; L71-Y74 PolarHBondContact O-N 3.37Å; L71-Y74 VanDerWaalsContact O-N 3.15Å; L71-G75 PolarHBondContact O-N 3.07Å; L71-F76 HydrophobicContact CB-CB 3.99Å; L71-F76 HydrophobicContact CB-CD2 4.42Å; L71-F76 HydrophobicContact CB-CG 4.3Å; L71-F76 HydrophobicContact CD2-CB 4.45Å; L71-F76 HydrophobicContact CD2-CD1 4.13Å; L71-F76 HydrophobicContact CD2-CD2 3.99Å; L71-F76 HydrophobicContact CD2-CE1 4.38Å; L71-F76 HydrophobicContact CD2-CE2 4.25Å; L71-F76 HydrophobicContact CD2-CG 3.93Å; L71-F76 HydrophobicContact CD2-CZ 4.44Å; L71-F76 WeakPolarHBondContact O-CB 3.19Å; L71-F76 WeakPolarHBondContact O-CD2 3.44Å; L71-F76 PolarHBondContact O-N 2.97Å; L71-F97 HydrophobicContact CD1-CD1 3.93Å; L71-F97 HydrophobicContact CD1-CD2 4.22Å; L71-F97 HydrophobicContact CD1-CE1 4.07Å; L71-F97 HydrophobicContact CD1-CE2 4.36Å; L71-F97 HydrophobicContact CD1-CG 4Å; L71-F97 HydrophobicContact CD1-CZ 4.29Å
72N94.7Very high90.7Very high81 Ų8170.9 Ų70.943%0.43335%0.346SS..Hα-helixtrans-61.2-36.5177.3-69.3-23.7000113.1I68 R69 Q70 G75I68-N72 VanDerWaalsContact O-CG 3.29Å; I68-N72 PolarHBondContact O-N 2.93Å; I68-N72 PolarHBondContact O-ND2 3.15Å; R69-N72 PolarHBondContact O-N 2.83Å; Q70-N72 VanDerWaalsContact C-N 3.3Å; Q70-N72 PolarHBondContact O-N 2.9Å; N72-G75 PolarHBondContact O-N 3.46Å
73M92.9Very high89Confident40 Ų4071.7 Ų71.720%0.19735%0.351CS..Hα-helixtrans-69.5-31.1175.6-71.9-168.282.300113.5R69 Q70 L71 G75 R115 R116R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.71Å; Q70-M73 WeakPolarHBondContact O-CA 3.37Å; Q70-M73 WeakPolarHBondContact O-CB 3.29Å; Q70-M73 PolarHBondContact O-N 3.25Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-M73 PolarHBondContact O-N 2.75Å; M73-G75 VanDerWaalsContact C-N 3.26Å; M73-R115 HydrophobicContact CB-CG 4.22Å; M73-R115 HydrophobicContact CE-CG 4.41Å; M73-R115 PolarHBondContact SD-NH2 2.98Å; M73-R116 WeakPolarHBondContact O-CB 3.28Å; M73-R116 PolarHBondContact O-N 2.92Å
74Y95.3Very high87.3Confident21 Ų2174.2 Ų74.28%0.08237%0.371CS..Hα-helixtrans-83.9-0.7171.2-70.1-76.4000113.1P14 F16 L17 Q70 L71 I113 R115P14-Y74 HydrophobicContact CB-CE1 3.67Å; P14-Y74 WeakPolarHBondContact CB-OH 3.33Å; P14-Y74 HydrophobicContact CG-CE1 3.82Å; F16-Y74 HydrophobicContact CB-CE2 3.73Å; F16-Y74 AromaticContact CD1-CD2 3.28Å; F16-Y74 HydrophobicContact CD1-CD2 3.28Å; F16-Y74 AromaticContact CD1-CE2 3.22Å; F16-Y74 HydrophobicContact CD1-CE2 3.22Å; F16-Y74 HydrophobicContact CD1-CG 4.25Å; F16-Y74 AromaticContact CE1-CD2 3.66Å; F16-Y74 HydrophobicContact CE1-CD2 3.66Å; F16-Y74 HydrophobicContact CE1-CE2 4.03Å; F16-Y74 HydrophobicContact CG-CD2 4.13Å; F16-Y74 AromaticContact CG-CE2 3.62Å; F16-Y74 HydrophobicContact CG-CE2 3.62Å; L17-Y74 HydrophobicContact CD1-CD1 3.92Å; L17-Y74 HydrophobicContact CD1-CE1 4.14Å; L17-Y74 HydrophobicContact CD2-CD1 4.16Å; L17-Y74 HydrophobicContact CD2-CD2 4.33Å; L17-Y74 HydrophobicContact CD2-CG 3.96Å; L17-Y74 HydrophobicContact CG-CD1 4.11Å; L17-Y74 HydrophobicContact CG-CE1 4.23Å; L17-Y74 HydrophobicContact CG-CG 4.36Å; Q70-Y74 WeakPolarHBondContact O-CD2 3.28Å; Q70-Y74 PolarHBondContact O-N 3.27Å; L71-Y74 CarbonylContact O-C 3.46Å; L71-Y74 PolarHBondContact O-N 3.37Å; L71-Y74 VanDerWaalsContact O-N 3.15Å; Y74-I113 HydrophobicContact CD1-CG2 4.15Å; Y74-I113 HydrophobicContact CG-CG2 4.46Å; Y74-I113 WeakPolarHBondContact O-CG2 3.4Å; Y74-R115 HydrophobicContact CD1-CB 3.97Å; Y74-R115 HydrophobicContact CD1-CG 4.42Å; Y74-R115 HydrophobicContact CE1-CB 3.58Å; Y74-R115 HydrophobicContact CE1-CG 4.04Å
75G93.8Very high85.7Confident5 Ų577.3 Ų77.35%0.05240%0.395CS..THydrogen-bonded Turntrans87.99.6172.300000115.6L71 N72 M73L71-G75 PolarHBondContact O-N 3.07Å; N72-G75 PolarHBondContact O-N 3.46Å; M73-G75 VanDerWaalsContact C-N 3.26Å
76F95.8Very high83.9Confident6 Ų679.4 Ų79.43%0.02640%0.399CS..  trans-57.5150169.1-69.9-104.5000110.3L17 L20 F42 L71 S98 H99 F102 I113L17-F76 HydrophobicContact CD2-CE2 3.74Å; L17-F76 HydrophobicContact CD2-CZ 4.06Å; L20-F76 HydrophobicContact CD2-CE1 4.05Å; L20-F76 HydrophobicContact CD2-CE2 4.2Å; L20-F76 HydrophobicContact CD2-CZ 3.63Å; F42-F76 AromaticContact CE1-CD1 3.88Å; F42-F76 HydrophobicContact CE1-CD1 3.88Å; F42-F76 AromaticContact CE1-CE1 3.78Å; F42-F76 HydrophobicContact CE1-CE1 3.78Å; L71-F76 HydrophobicContact CB-CB 3.99Å; L71-F76 HydrophobicContact CB-CD2 4.42Å; L71-F76 HydrophobicContact CB-CG 4.3Å; L71-F76 HydrophobicContact CD2-CB 4.45Å; L71-F76 HydrophobicContact CD2-CD1 4.13Å; L71-F76 HydrophobicContact CD2-CD2 3.99Å; L71-F76 HydrophobicContact CD2-CE1 4.38Å; L71-F76 HydrophobicContact CD2-CE2 4.25Å; L71-F76 HydrophobicContact CD2-CG 3.93Å; L71-F76 HydrophobicContact CD2-CZ 4.44Å; L71-F76 WeakPolarHBondContact O-CB 3.19Å; L71-F76 WeakPolarHBondContact O-CD2 3.44Å; L71-F76 PolarHBondContact O-N 2.97Å; F76-S98 WeakPolarHBondContact CA-O 3.17Å; F76-H99 HydrophobicContact CD1-CB 3.5Å; F76-H99 VanDerWaalsContact CD1-CB 3.5Å; F76-H99 HydrophobicContact CD2-CB 4.3Å; F76-H99 HydrophobicContact CE1-CB 3.62Å; F76-H99 HydrophobicContact CE2-CB 4.4Å; F76-H99 HydrophobicContact CG-CB 3.86Å; F76-H99 HydrophobicContact CZ-CB 4.09Å; F76-F102 HydrophobicContact CE1-CB 3.68Å; F76-F102 AromaticContact CE1-CD1 3.73Å; F76-F102 HydrophobicContact CE1-CD1 3.73Å; F76-F102 HydrophobicContact CE1-CD2 4.06Å; F76-F102 HydrophobicContact CE1-CE1 4.37Å; F76-F102 AromaticContact CE1-CG 3.55Å; F76-F102 HydrophobicContact CE1-CG 3.55Å; F76-F102 HydrophobicContact CZ-CB 3.82Å; F76-F102 HydrophobicContact CZ-CD1 4.23Å; F76-F102 AromaticContact CZ-CD2 3.69Å; F76-F102 HydrophobicContact CZ-CD2 3.69Å; F76-F102 HydrophobicContact CZ-CE2 4.32Å; F76-F102 AromaticContact CZ-CG 3.65Å; F76-F102 HydrophobicContact CZ-CG 3.65Å; F76-I113 HydrophobicContact CZ-CD1 4.47Å
77R94Very high81.8Confident177 Ų17782.9 Ų82.967%0.66842%0.42SS*.EExtended strand (participates in β ladder)trans-121.1131.7178.6-64.2179.5176.8-88.95.6109.1F97 S98R77-F97 WeakPolarHBondContact O-CA 3.24Å; R77-S98 PolarHBondContact N-O 2.99Å; R77-S98 PolarHBondContact O-N 2.96Å
78K93.8Very high79.7Confident103 Ų10391 Ų9145%0.44846%0.462SS..EExtended strand (participates in β ladder)trans-68.5127.6166.2-175.9173.8172170.90108.4M95 E96 F97K78-M95 HydrophobicContact CD-CG 4.47Å; K78-M95 HydrophobicContact CD-SD 4.43Å; K78-M95 VanDerWaalsContact NZ-CG 3.3Å; K78-M95 PolarHBondContact NZ-SD 3.5Å; K78-E96 CarbonylContact C-O 3.52Å; K78-E96 VanDerWaalsContact CA-O 3.3Å; K78-E96 WeakPolarHBondContact CA-O 3.48Å; K78-F97 HydrophobicContact CB-CD1 4.13Å; K78-F97 HydrophobicContact CB-CE1 3.81Å; K78-F97 HydrophobicContact CB-CZ 4.28Å; K78-F97 HydrophobicContact CD-CZ 4.47Å; K78-F97 HydrophobicContact CG-CE1 4.41Å; K78-F97 HydrophobicContact CG-CZ 4.4Å
79I89.8Confident77.4Confident67 Ų6798.2 Ų98.234%0.34449%0.492SS..EExtended strand (participates in β ladder)trans-92122.2170.2-63.5174.3000106.6R81 E96I79-R81 HydrophobicContact CG2-CG 4.23Å; I79-R81 PolarHBondContact O-N 2.73Å; I79-E96 HydrophobicContact CB-CB 4.06Å; I79-E96 HydrophobicContact CB-CG 4.01Å; I79-E96 WeakPolarHBondContact CB-OE2 3.41Å; I79-E96 HydrophobicContact CD1-CG 4.05Å; I79-E96 HydrophobicContact CG1-CG 4.41Å; I79-E96 VanDerWaalsContact CG2-OE2 3.28Å; I79-E96 WeakPolarHBondContact CG2-OE2 3.26Å; I79-E96 PolarHBondContact N-O 2.97Å
80N80.2Confident75.2Confident117 Ų11793.9 Ų93.963%0.62649%0.489SS*.  trans-92.993.6174.5-68.6-2.8000108.1V82N80-V82 VanDerWaalsContact C-N 3.31Å; N80-V82 HydrophobicContact CB-CG2 4.48Å; N80-V82 PolarHBondContact O-N 3.45Å
81R69.9Low73Confident150 Ų15099.3 Ų99.357%0.56652%0.52SS*.  trans-72.991164.9-63.7-170.5-170.9-175.53.4107.9D36 H43 I79 D83 E96D36-R81 IonicContact OD1-CZ 2.69Å; D36-R81 IonicContact OD1-NH1 2.62Å; D36-R81 IonicContact OD1-NH2 2.71Å; D36-R81 PolarHBondContact OD1-NH2 2.81Å; H43-R81 PolarHBondContact CE1-NH2 2.86Å; I79-R81 HydrophobicContact CG2-CG 4.23Å; I79-R81 PolarHBondContact O-N 2.73Å; R81-D83 PolarHBondContact O-N 2.86Å; R81-E96 IonicContact CZ-OE1 3.75Å; R81-E96 IonicContact CZ-OE2 3.51Å; R81-E96 VanDerWaalsContact CZ-OE2 3.24Å; R81-E96 IonicContact NE-OE1 3.79Å; R81-E96 IonicContact NE-OE2 3.3Å; R81-E96 PolarHBondContact NE-OE2 3.01Å; R81-E96 IonicContact NH2-OE1 3.31Å; R81-E96 PolarHBondContact NH2-OE1 3.43Å; R81-E96 IonicContact NH2-OE2 2.6Å; R81-E96 PolarHBondContact NH2-OE2 2.89Å
82V61.4Low71.1Confident116 Ų116103.2 Ų103.270%0.70354%0.544SS*.  trans-85.696.6167.1-179.20000106.3N80 P84N80-V82 VanDerWaalsContact C-N 3.31Å; N80-V82 HydrophobicContact CB-CG2 4.48Å; N80-V82 PolarHBondContact O-N 3.45Å; V82-P84 WeakPolarHBondContact O-CD 3.27Å
83D57.7Low69.8Low122 Ų122102.5 Ų102.565%0.65254%0.538SS*.  trans-67.3112.6168.7-92-39000108.6R81 S85R81-D83 PolarHBondContact O-N 2.86Å; D83-S85 PolarHBondContact O-N 3.39Å; D83-S85 VanDerWaalsContact O-N 3.08Å
84P59.3Low69.3Low128 Ų128105.4 Ų105.483%0.83155%0.554SS**THydrogen-bonded Turntrans-73.4-3.1-173.1-16.532.7000113.7V82V82-P84 WeakPolarHBondContact O-CD 3.27Å
85S59.2Low69.1Low88 Ų88105.5 Ų105.562%0.61556%0.556SS**THydrogen-bonded Turntrans-102.2-12.9-166.856.70000114.7D83 P87D83-S85 PolarHBondContact O-N 3.39Å; D83-S85 VanDerWaalsContact O-N 3.08Å; S85-P87 WeakPolarHBondContact O-CD 3.4Å
86L55.9Low69.1Low132 Ų132105.7 Ų105.769%0.69156%0.555SS**  trans-114.499.6-177.1-110.972.9000112.2L88L86-L88 PolarHBondContact O-N 3.5Å
87P50Low69.1Low118 Ų118105.5 Ų105.577%0.76656%0.555SS**  trans-72.5122.2168.728.6-32.1000111.2S85S85-P87 WeakPolarHBondContact O-CD 3.4Å
88L50.6Low69.1Low170 Ų17098.6 Ų98.689%0.8953%0.533SS*.SBendtrans72.934.7144.5-151.274.5000118.6L86L86-L88 PolarHBondContact O-N 3.5Å
89K47.2Very low69.2Low189 Ų18994.8 Ų94.882%0.82252%0.517SS*.  trans-153.2114.7161-55.9179.1-172.7168.30108.6
90S47.5Very low69.3Low85 Ų8596.3 Ų96.359%0.59453%0.531SS*.  cis-149163.83.7330000109.2T92S90-T92 PolarHBondContact O-N 2.92Å; S90-T92 PolarHBondContact O-OG1 3.45Å; S90-T92 WeakPolarHBondContact OG-CG2 3.3Å; S90-T92 PolarHBondContact OG-OG1 3.4Å
91D49.4Very low70Confident170 Ų17095.8 Ų95.891%0.90952%0.521SS*.  trans-6828.3171.9-84.1-45.2000113.7E93D91-E93 PolarHBondContact O-N 3.31Å
92T53.8Low71.1Confident83 Ų8388.7 Ų88.751%0.50950%0.495SS..  trans-7965.8-17944.20000111.3S90 D94S90-T92 PolarHBondContact O-N 2.92Å; S90-T92 PolarHBondContact O-OG1 3.45Å; S90-T92 WeakPolarHBondContact OG-CG2 3.3Å; S90-T92 PolarHBondContact OG-OG1 3.4Å; T92-D94 PolarHBondContact O-N 2.91Å
93E67.7Low72.6Confident66 Ų6684.9 Ų84.931%0.30847%0.47SS..  trans43.16.3143.7-56.2-161.5145.800122.3I44 R45 G47 N48 D91 M95I44-E93 VanDerWaalsContact O-O 3.12Å; R45-E93 CarbonylContact O-C 3.46Å; R45-E93 WeakPolarHBondContact O-CB 3.45Å; R45-E93 VanDerWaalsContact O-O 3.12Å; G47-E93 WeakPolarHBondContact CA-OE2 3.45Å; G47-E93 PolarHBondContact N-OE2 3.03Å; G47-E93 VanDerWaalsContact N-OE2 3.15Å; N48-E93 PolarHBondContact N-OE2 3.47Å; N48-E93 PolarHBondContact ND2-OE1 3.5Å; N48-E93 PolarHBondContact ND2-OE2 3.37Å; D91-E93 PolarHBondContact O-N 3.31Å; E93-M95 VanDerWaalsContact O-CG 3.28Å; E93-M95 WeakPolarHBondContact O-CG 3.4Å; E93-M95 PolarHBondContact O-N 3.17Å
94D83.1Confident74.3Confident101 Ų10184.7 Ų84.754%0.5446%0.46SS..  trans-58.6104.1172.4-89.2-33.2000110.1I44 R45 T92I44-D94 CarbonylContact O-C 3.44Å; I44-D94 WeakPolarHBondContact O-CA 3.26Å; R45-D94 WeakPolarHBondContact CA-OD1 3.42Å; R45-D94 WeakPolarHBondContact CG-OD1 3.46Å; R45-D94 PolarHBondContact O-N 2.86Å; T92-D94 PolarHBondContact O-N 2.91Å
95M90.7Very high75.7Confident22 Ų2284.8 Ų84.811%0.10845%0.453CS..EExtended strand (participates in β ladder)trans-122.1109.4-174-74.9-171.2-75.700111.3I44 L64 I68 K78 E93 F97I44-M95 HydrophobicContact CB-CB 4.41Å; I44-M95 PolarHBondContact N-O 3.38Å; I44-M95 PolarHBondContact O-N 2.9Å; L64-M95 HydrophobicContact CD2-CE 4.08Å; I68-M95 HydrophobicContact CD1-SD 4.5Å; K78-M95 HydrophobicContact CD-CG 4.47Å; K78-M95 HydrophobicContact CD-SD 4.43Å; K78-M95 VanDerWaalsContact NZ-CG 3.3Å; K78-M95 PolarHBondContact NZ-SD 3.5Å; E93-M95 VanDerWaalsContact O-CG 3.28Å; E93-M95 WeakPolarHBondContact O-CG 3.4Å; E93-M95 PolarHBondContact O-N 3.17Å; M95-F97 HydrophobicContact CB-CE2 3.9Å
96E93.8Very high77.1Confident10 Ų1085.9 Ų85.95%0.04745%0.447CS..EExtended strand (participates in β ladder)trans-85.6135.6173.3-175.4178.9-162.900111.6S41 F42 H43 K78 I79 R81S41-E96 VanDerWaalsContact CB-OE1 3.24Å; S41-E96 WeakPolarHBondContact CB-OE1 3.48Å; S41-E96 PolarHBondContact OG-OE1 3.04Å; F42-E96 CarbonylContact O-C 3.57Å; F42-E96 WeakPolarHBondContact O-CA 3.45Å; H43-E96 IonicContact CE1-OE1 3.59Å; H43-E96 IonicContact CE1-OE2 3.96Å; H43-E96 IonicContact NE2-OE1 3.58Å; K78-E96 CarbonylContact C-O 3.52Å; K78-E96 VanDerWaalsContact CA-O 3.3Å; K78-E96 WeakPolarHBondContact CA-O 3.48Å; I79-E96 HydrophobicContact CB-CB 4.06Å; I79-E96 HydrophobicContact CB-CG 4.01Å; I79-E96 WeakPolarHBondContact CB-OE2 3.41Å; I79-E96 HydrophobicContact CD1-CG 4.05Å; I79-E96 HydrophobicContact CG1-CG 4.41Å; I79-E96 VanDerWaalsContact CG2-OE2 3.28Å; I79-E96 WeakPolarHBondContact CG2-OE2 3.26Å; I79-E96 PolarHBondContact N-O 2.97Å; R81-E96 IonicContact CZ-OE1 3.75Å; R81-E96 IonicContact CZ-OE2 3.51Å; R81-E96 VanDerWaalsContact CZ-OE2 3.24Å; R81-E96 IonicContact NE-OE1 3.79Å; R81-E96 IonicContact NE-OE2 3.3Å; R81-E96 PolarHBondContact NE-OE2 3.01Å; R81-E96 IonicContact NH2-OE1 3.31Å; R81-E96 PolarHBondContact NH2-OE1 3.43Å; R81-E96 IonicContact NH2-OE2 2.6Å; R81-E96 PolarHBondContact NH2-OE2 2.89Å
97F95.7Very high78.6Confident2 Ų283.5 Ų83.51%0.00944%0.435CS..EExtended strand (participates in β ladder)trans-124.9133.7171-70.2-92.1000110.9S41 F42 I44 I68 L71 R77 K78 M95S41-F97 WeakPolarHBondContact CA-O 3.39Å; S41-F97 WeakPolarHBondContact CB-O 3.45Å; F42-F97 HydrophobicContact CD1-CB 4.38Å; F42-F97 HydrophobicContact CE1-CB 3.8Å; F42-F97 HydrophobicContact CE2-CB 4.02Å; F42-F97 HydrophobicContact CE2-CD2 4.27Å; F42-F97 HydrophobicContact CE2-CG 4.48Å; F42-F97 HydrophobicContact CZ-CB 3.6Å; F42-F97 HydrophobicContact CZ-CD2 4.47Å; F42-F97 HydrophobicContact CZ-CG 4.25Å; F42-F97 PolarHBondContact N-O 2.94Å; F42-F97 PolarHBondContact O-N 2.88Å; I44-F97 HydrophobicContact CD1-CD2 3.98Å; I44-F97 HydrophobicContact CD1-CE2 3.81Å; I68-F97 HydrophobicContact CD1-CZ 4.3Å; I68-F97 HydrophobicContact CG1-CZ 4.02Å; I68-F97 HydrophobicContact CG2-CE1 4.36Å; I68-F97 HydrophobicContact CG2-CZ 4.25Å; L71-F97 HydrophobicContact CD1-CD1 3.93Å; L71-F97 HydrophobicContact CD1-CD2 4.22Å; L71-F97 HydrophobicContact CD1-CE1 4.07Å; L71-F97 HydrophobicContact CD1-CE2 4.36Å; L71-F97 HydrophobicContact CD1-CG 4Å; L71-F97 HydrophobicContact CD1-CZ 4.29Å; R77-F97 WeakPolarHBondContact O-CA 3.24Å; K78-F97 HydrophobicContact CB-CD1 4.13Å; K78-F97 HydrophobicContact CB-CE1 3.81Å; K78-F97 HydrophobicContact CB-CZ 4.28Å; K78-F97 HydrophobicContact CD-CZ 4.47Å; K78-F97 HydrophobicContact CG-CE1 4.41Å; K78-F97 HydrophobicContact CG-CZ 4.4Å; M95-F97 HydrophobicContact CB-CE2 3.9Å
98S94.4Very high80.5Confident31 Ų3184.8 Ų84.822%0.21743%0.434CS..EExtended strand (participates in β ladder)trans-126.9151.1177-174.80000112.4T40 F76 R77T40-S98 PolarHBondContact O-OG 2.94Å; F76-S98 WeakPolarHBondContact CA-O 3.17Å; R77-S98 PolarHBondContact N-O 2.99Å; R77-S98 PolarHBondContact O-N 2.96Å
99H95.5Very high82.3Confident23 Ų2378 Ų7811%0.10640%0.398CS..  trans-149.2131.8170-177.4-90.9000110.6F76 Y101 F102F76-H99 HydrophobicContact CD1-CB 3.5Å; F76-H99 VanDerWaalsContact CD1-CB 3.5Å; F76-H99 HydrophobicContact CD2-CB 4.3Å; F76-H99 HydrophobicContact CE1-CB 3.62Å; F76-H99 HydrophobicContact CE2-CB 4.4Å; F76-H99 HydrophobicContact CG-CB 3.86Å; F76-H99 HydrophobicContact CZ-CB 4.09Å; H99-Y101 AromaticContact CE1-CD2 3.87Å; H99-Y101 PolarHBondContact ND1-N 3.49Å; H99-Y101 PolarHBondContact O-N 3.31Å; H99-F102 HydrophobicContact CB-CB 3.9Å; H99-F102 PolarHBondContact O-N 2.77Å
100P93.4Very high84.4Confident99 Ų9969.3 Ų69.364%0.64336%0.361SS*.THydrogen-bonded Turntrans-57.9-21.2-172.1-28.135.4000116.7
101Y93.6Very high86.3Confident107 Ų10766.9 Ų66.942%0.4234%0.344SS..THydrogen-bonded Turntrans-111.38178.3-53.5-42.4000113.6H99 L109 K112H99-Y101 AromaticContact CE1-CD2 3.87Å; H99-Y101 PolarHBondContact ND1-N 3.49Å; H99-Y101 PolarHBondContact O-N 3.31Å; Y101-L109 CarbonylContact O-C 3.57Å; Y101-L109 WeakPolarHBondContact O-CB 3.48Å; Y101-K112 HydrophobicContact CD1-CD 4.33Å; Y101-K112 HydrophobicContact CD2-CB 3.67Å; Y101-K112 HydrophobicContact CE1-CD 4.4Å; Y101-K112 HydrophobicContact CE2-CB 4.11Å; Y101-K112 HydrophobicContact CG-CB 4.03Å; Y101-K112 HydrophobicContact CG-CD 4.45Å
102F94Very high88.3Confident1 Ų164.2 Ų64.20%0.00432%0.324CS..  trans-108.289.4173.4-168.6-97.9000108.4L20 K21 V24 W35 F42 F76 H99 L110 I113L20-F102 HydrophobicContact CD2-CD2 4.49Å; L20-F102 HydrophobicContact CD2-CE1 4.45Å; L20-F102 HydrophobicContact CD2-CE2 3.88Å; L20-F102 HydrophobicContact CD2-CZ 3.86Å; L20-F102 HydrophobicContact CG-CE2 4.05Å; L20-F102 HydrophobicContact CG-CZ 3.73Å; K21-F102 HydrophobicContact CB-CE2 4.23Å; K21-F102 HydrophobicContact CB-CZ 4.5Å; K21-F102 HydrophobicContact CD-CE2 4.43Å; K21-F102 HydrophobicContact CD-CZ 4.39Å; V24-F102 HydrophobicContact CG2-CZ 4.49Å; W35-F102 AromaticContact CH2-CD1 3.5Å; W35-F102 HydrophobicContact CH2-CD1 3.5Å; W35-F102 VanDerWaalsContact CH2-CD1 3.5Å; W35-F102 AromaticContact CH2-CE1 3.17Å; W35-F102 HydrophobicContact CH2-CE1 3.17Å; W35-F102 HydrophobicContact CH2-CG 4.37Å; W35-F102 AromaticContact CH2-CZ 3.81Å; W35-F102 HydrophobicContact CH2-CZ 3.81Å; W35-F102 AromaticContact CZ2-CE1 3.9Å; W35-F102 HydrophobicContact CZ2-CE1 3.9Å; W35-F102 HydrophobicContact CZ2-CZ 4.2Å; W35-F102 AromaticContact CZ3-CD1 3.77Å; W35-F102 HydrophobicContact CZ3-CD1 3.77Å; W35-F102 AromaticContact CZ3-CE1 3.72Å; W35-F102 HydrophobicContact CZ3-CE1 3.72Å; F42-F102 HydrophobicContact CD1-CD1 4.05Å; F42-F102 AromaticContact CD1-CE1 3.72Å; F42-F102 HydrophobicContact CD1-CE1 3.72Å; F42-F102 HydrophobicContact CE1-CD1 4.31Å; F42-F102 HydrophobicContact CE1-CE1 4.05Å; F76-F102 HydrophobicContact CE1-CB 3.68Å; F76-F102 AromaticContact CE1-CD1 3.73Å; F76-F102 HydrophobicContact CE1-CD1 3.73Å; F76-F102 HydrophobicContact CE1-CD2 4.06Å; F76-F102 HydrophobicContact CE1-CE1 4.37Å; F76-F102 AromaticContact CE1-CG 3.55Å; F76-F102 HydrophobicContact CE1-CG 3.55Å; F76-F102 HydrophobicContact CZ-CB 3.82Å; F76-F102 HydrophobicContact CZ-CD1 4.23Å; F76-F102 AromaticContact CZ-CD2 3.69Å; F76-F102 HydrophobicContact CZ-CD2 3.69Å; F76-F102 HydrophobicContact CZ-CE2 4.32Å; F76-F102 AromaticContact CZ-CG 3.65Å; F76-F102 HydrophobicContact CZ-CG 3.65Å; H99-F102 HydrophobicContact CB-CB 3.9Å; H99-F102 PolarHBondContact O-N 2.77Å; F102-L110 HydrophobicContact CD2-CD2 3.4Å; F102-L110 VanDerWaalsContact CD2-CD2 3.4Å; F102-L110 HydrophobicContact CE2-CD2 3.82Å; F102-L110 HydrophobicContact CG-CD2 4.44Å; F102-I113 HydrophobicContact CB-CD1 3.97Å; F102-I113 HydrophobicContact CD2-CD1 4.2Å
103I93.2Very high90.1Very high36 Ų3660.3 Ų60.319%0.18530%0.3CS..  trans-125.7140.4-174-55.2177.7000108.6G39 N105 K106 L109G39-I103 CarbonylContact O-C 3.54Å; G39-I103 WeakPolarHBondContact O-CA 3.36Å; G39-I103 WeakPolarHBondContact O-CG2 3.26Å; I103-N105 PolarHBondContact O-N 2.69Å; I103-K106 HydrophobicContact CB-CB 4.28Å; I103-K106 HydrophobicContact CB-CD 4.21Å; I103-K106 HydrophobicContact CD1-CD 4.47Å; I103-K106 HydrophobicContact CG2-CD 3.91Å; I103-K106 HydrophobicContact CG2-CG 4.39Å; I103-K106 PolarHBondContact O-N 3.3Å; I103-L109 HydrophobicContact CD1-CD1 3.93Å; I103-L109 HydrophobicContact CG1-CD1 4.41Å
104R91.4Very high91.1Very high118 Ų11864.3 Ų64.345%0.44532%0.319SS..THydrogen-bonded Turntrans-52.6137.2175.5-163.9175-176.3-172.81.4110.6W35 G39 K106W35-R104 HydrophobicContact CD2-CB 3.83Å; W35-R104 HydrophobicContact CD2-CG 4.01Å; W35-R104 HydrophobicContact CE3-CB 3.99Å; W35-R104 HydrophobicContact CG-CB 4.3Å; W35-R104 HydrophobicContact CG-CG 4.09Å; W35-R104 HydrophobicContact CH2-CB 4.42Å; W35-R104 HydrophobicContact CZ2-CB 4.3Å; W35-R104 HydrophobicContact CZ3-CB 4.28Å; G39-R104 PolarHBondContact O-N 3.34Å; R104-K106 PolarHBondContact O-N 3.05Å
105N89.8Confident91.5Very high129 Ų12965.2 Ų65.269%0.6932%0.315SS*.THydrogen-bonded Turntrans55.223.6-179.6-52.7-11.4000116.5I103I103-N105 PolarHBondContact O-N 2.69Å
106K89.3Confident91.3Very high111 Ų11171.2 Ų71.248%0.48334%0.336SS..  trans-127.254-180-65-175.3-174.3172.20113.3I103 R104 I108 L109I103-K106 HydrophobicContact CB-CB 4.28Å; I103-K106 HydrophobicContact CB-CD 4.21Å; I103-K106 HydrophobicContact CD1-CD 4.47Å; I103-K106 HydrophobicContact CG2-CD 3.91Å; I103-K106 HydrophobicContact CG2-CG 4.39Å; I103-K106 PolarHBondContact O-N 3.3Å; R104-K106 PolarHBondContact O-N 3.05Å; K106-I108 PolarHBondContact O-N 3.3Å; K106-I108 VanDerWaalsContact O-N 3.07Å; K106-L109 HydrophobicContact CB-CD1 3.84Å; K106-L109 HydrophobicContact CB-CG 4.2Å; K106-L109 HydrophobicContact CD-CD1 4.06Å; K106-L109 WeakPolarHBondContact O-CB 3.23Å; K106-L109 PolarHBondContact O-N 3.26Å
107D86.8Confident90.3Very high83 Ų8375.4 Ų75.444%0.44436%0.363SS..G310 helixtrans-59-27.2-171.3-56.3-17000114.3K21 L109 L110K21-D107 WeakPolarHBondContact CE-OD1 3.35Å; K21-D107 IonicContact NZ-OD1 3.73Å; D107-L109 PolarHBondContact O-N 3.1Å; D107-L109 VanDerWaalsContact O-N 3.1Å; D107-L110 HydrophobicContact CB-CD1 4.17Å; D107-L110 VanDerWaalsContact O-CB 3.26Å; D107-L110 WeakPolarHBondContact O-CB 3.44Å; D107-L110 WeakPolarHBondContact O-CG 3.38Å; D107-L110 PolarHBondContact O-N 3.08Å
108I88.8Confident88.7Confident144 Ų14479 Ų7974%0.73839%0.388SS*.G310 helixtrans-55.8-26172.861.4172.3000113.3K106 S111K106-I108 PolarHBondContact O-N 3.3Å; K106-I108 VanDerWaalsContact O-N 3.07Å; I108-S111 PolarHBondContact O-OG 3.34Å
109L90.2Very high86.6Confident28 Ų2884.1 Ų84.115%0.14741%0.413CS..G310 helixtrans-78.2-21.9178-61.2179.7000112.8Y101 I103 K106 D107 S111 K112Y101-L109 CarbonylContact O-C 3.57Å; Y101-L109 WeakPolarHBondContact O-CB 3.48Å; I103-L109 HydrophobicContact CD1-CD1 3.93Å; I103-L109 HydrophobicContact CG1-CD1 4.41Å; K106-L109 HydrophobicContact CB-CD1 3.84Å; K106-L109 HydrophobicContact CB-CG 4.2Å; K106-L109 HydrophobicContact CD-CD1 4.06Å; K106-L109 WeakPolarHBondContact O-CB 3.23Å; K106-L109 PolarHBondContact O-N 3.26Å; D107-L109 PolarHBondContact O-N 3.1Å; D107-L109 VanDerWaalsContact O-N 3.1Å; L109-S111 PolarHBondContact O-N 2.88Å; L109-K112 HydrophobicContact CD2-CD 4.16Å; L109-K112 WeakPolarHBondContact O-CB 3.21Å; L109-K112 PolarHBondContact O-N 3.19Å
110L89.8Confident84.3Confident6 Ų690.8 Ų90.83%0.03145%0.446CS..G310 helixtrans-60.7-31.4179-59.5175.4000112.1I13 K21 F102 D107 K112 I113I13-L110 HydrophobicContact CD1-CB 4.1Å; I13-L110 HydrophobicContact CG1-CB 4.33Å; I13-L110 HydrophobicContact CG2-CB 4Å; K21-L110 HydrophobicContact CB-CD1 4.12Å; K21-L110 HydrophobicContact CG-CD1 4.03Å; F102-L110 HydrophobicContact CD2-CD2 3.4Å; F102-L110 VanDerWaalsContact CD2-CD2 3.4Å; F102-L110 HydrophobicContact CE2-CD2 3.82Å; F102-L110 HydrophobicContact CG-CD2 4.44Å; D107-L110 HydrophobicContact CB-CD1 4.17Å; D107-L110 VanDerWaalsContact O-CB 3.26Å; D107-L110 WeakPolarHBondContact O-CB 3.44Å; D107-L110 WeakPolarHBondContact O-CG 3.38Å; D107-L110 PolarHBondContact O-N 3.08Å; L110-K112 PolarHBondContact O-N 3.42Å; L110-I113 HydrophobicContact CD2-CD1 4.01Å; L110-I113 WeakPolarHBondContact O-CB 3.25Å; L110-I113 PolarHBondContact O-N 3.33Å; L110-I113 VanDerWaalsContact O-N 3.11Å
111S89Confident81.9Confident34 Ų3493.9 Ų93.924%0.23845%0.45CS..G310 helixtrans-61.9-26.2174.968.10000113.8I108 L109 I113I108-S111 PolarHBondContact O-OG 3.34Å; L109-S111 PolarHBondContact O-N 2.88Å; S111-I113 VanDerWaalsContact C-N 3.29Å; S111-I113 PolarHBondContact O-N 2.81Å
112K89.9Confident79.3Confident114 Ų11492.3 Ų92.350%0.49645%0.454SS..G310 helixtrans-78.7-12.5177.3-58.1-178.4179.4178.20112.7Y101 L109 L110 Q114Y101-K112 HydrophobicContact CD1-CD 4.33Å; Y101-K112 HydrophobicContact CD2-CB 3.67Å; Y101-K112 HydrophobicContact CE1-CD 4.4Å; Y101-K112 HydrophobicContact CE2-CB 4.11Å; Y101-K112 HydrophobicContact CG-CB 4.03Å; Y101-K112 HydrophobicContact CG-CD 4.45Å; L109-K112 HydrophobicContact CD2-CD 4.16Å; L109-K112 WeakPolarHBondContact O-CB 3.21Å; L109-K112 PolarHBondContact O-N 3.19Å; L110-K112 PolarHBondContact O-N 3.42Å; K112-Q114 PolarHBondContact O-N 2.91Å
113I92.1Very high76.5Confident2 Ų298.5 Ų98.51%0.0150%0.495CS..  trans-84.599.7-179-49.1-177.1000109.3L17 Y74 F76 F102 L110 S111L17-I113 HydrophobicContact CD1-CB 3.56Å; L17-I113 HydrophobicContact CD1-CD1 4.26Å; L17-I113 HydrophobicContact CD1-CG1 4.4Å; L17-I113 HydrophobicContact CD1-CG2 3.7Å; L17-I113 HydrophobicContact CD2-CD1 4.36Å; L17-I113 HydrophobicContact CD2-CG2 4.15Å; Y74-I113 HydrophobicContact CD1-CG2 4.15Å; Y74-I113 HydrophobicContact CG-CG2 4.46Å; Y74-I113 WeakPolarHBondContact O-CG2 3.4Å; F76-I113 HydrophobicContact CZ-CD1 4.47Å; F102-I113 HydrophobicContact CB-CD1 3.97Å; F102-I113 HydrophobicContact CD2-CD1 4.2Å; L110-I113 HydrophobicContact CD2-CD1 4.01Å; L110-I113 WeakPolarHBondContact O-CB 3.25Å; L110-I113 PolarHBondContact O-N 3.33Å; L110-I113 VanDerWaalsContact O-N 3.11Å; S111-I113 VanDerWaalsContact C-N 3.29Å; S111-I113 PolarHBondContact O-N 2.81Å
114Q89.3Confident74.1Confident150 Ų150103 Ų10370%0.70152%0.518SS*.  trans-96.1136.1179.6-63.4-174.4-3.300111.7K112 R116K112-Q114 PolarHBondContact O-N 2.91Å; Q114-R116 PolarHBondContact O-N 3.18Å
115R90.1Very high71.7Confident120 Ų120106.6 Ų106.645%0.45354%0.542SS..  trans-68.1126174.3-166.4-178.2-177.7-150.30.9109.8M73 Y74 T117M73-R115 HydrophobicContact CB-CG 4.22Å; M73-R115 HydrophobicContact CE-CG 4.41Å; M73-R115 PolarHBondContact SD-NH2 2.98Å; Y74-R115 HydrophobicContact CD1-CB 3.97Å; Y74-R115 HydrophobicContact CD1-CG 4.42Å; Y74-R115 HydrophobicContact CE1-CB 3.58Å; Y74-R115 HydrophobicContact CE1-CG 4.04Å; R115-T117 PolarHBondContact O-N 3.25Å; R115-T117 VanDerWaalsContact O-N 3.13Å
116R86.7Confident68.9Low147 Ų147103.8 Ų103.856%0.55554%0.544SS*.  trans-65.5110.8171.7-62.8178.1-177.1159.95109.2M73 Q114M73-R116 WeakPolarHBondContact O-CB 3.28Å; M73-R116 PolarHBondContact O-N 2.92Å; Q114-R116 PolarHBondContact O-N 3.18Å
117T74.2Confident66.7Low99 Ų99103.6 Ų103.661%0.60756%0.556SS**  trans-80.4142.3176.848.70000110.6R115 N119R115-T117 PolarHBondContact O-N 3.25Å; R115-T117 VanDerWaalsContact O-N 3.13Å; T117-N119 PolarHBondContact O-N 3.39Å
118S61.8Low64.1Low76 Ų76111 Ų11153%0.53158%0.578SS.*G310 helixtrans-70.63-170.447.50000115.8F121S118-F121 WeakPolarHBondContact O-CD2 3.42Å
119N49.3Very low61.8Low140 Ų140109.7 Ų109.775%0.74957%0.572SS**G310 helixtrans-93.65.8-178.7-68.530.2000113.1T117T117-N119 PolarHBondContact O-N 3.39Å
120M46.8Very low59.4Low162 Ų162117.5 Ų117.580%0.79861%0.608SS**G310 helixtrans-117.519.5171.7-71.5-79.810400112.5S122M120-S122 PolarHBondContact O-N 2.6Å
121F43.4Very low57.1Low164 Ų164121.5 Ų121.572%0.71964%0.637SS**  trans-74.976.1164-75.3-69.8000109.8S118S118-F121 WeakPolarHBondContact O-CD2 3.42Å
122S40Very low54.7Low74 Ų74128.7 Ų128.752%0.51766%0.664SS.*  trans-59.2141.8152.249.40000108.4M120 I124M120-S122 PolarHBondContact O-N 2.6Å; S122-I124 PolarHBondContact O-N 3.14Å
123P34.6Very low52.2Low132 Ų132126.9 Ų126.986%0.85768%0.678SS**SBendtrans-74.874.8179.830.9-35000110.7
124I43.3Very low50Low130 Ų130132.1 Ų132.167%0.66771%0.71SS**  trans-107.558165-48.1-178.5000107.9S122 G126S122-I124 PolarHBondContact O-N 3.14Å; I124-G126 PolarHBondContact O-N 2.84Å
125M39.6Very low47.6Very low194 Ų194134.7 Ų134.796%0.95672%0.719SS**  trans-85.994.2162.2-72.1-151.1-62.300108
126G32.7Very low45.5Very low70 Ų70134.2 Ų134.272%0.72273%0.729SS**  trans150.540.417800000117.3I124I124-G126 PolarHBondContact O-N 2.84Å
127S42.1Very low43.2Very low106 Ų106132.8 Ų132.874%0.74174%0.738SS**  trans-138.979.9166.7-89.40000112.2N129S127-N129 PolarHBondContact O-N 3.11Å
128R33Very low41.5Very low239 Ų239137.4 Ų137.490%0.90275%0.746SS**  trans-74.993.1152.5172.8-176.6171.4172-2.7106.9
129N39.6Very low40.7Very low116 Ų116139.9 Ų139.962%0.6276%0.758SS**  trans-171.1125.9143.4-95-12.8000110.3S127 S131S127-N129 PolarHBondContact O-N 3.11Å; N129-S131 PolarHBondContact O-N 2.89Å
130Q40.8Very low40.1Very low192 Ų192139.8 Ų139.890%0.89775%0.753SS**  trans-86.7101.8172.3-62.717960.600107.9
131S40.7Very low39.6Very low91 Ų91136 Ų13664%0.63675%0.747SS**SBendtrans-162.8115.3164.7-84.90000110.3N129 G133N129-S131 PolarHBondContact O-N 2.89Å; S131-G133 PolarHBondContact O-N 3.4Å
132F39Very low39.5Very low184 Ų184133.9 Ų133.981%0.80774%0.743SS**  trans36.176.3157.2-60.1-83.5000118.7V134F132-V134 PolarHBondContact O-N 2.87Å
133G37.7Very low39.4Very low76 Ų76136.7 Ų136.778%0.78476%0.763SS**  trans-86.499.717200000113.9S131 K135S131-G133 PolarHBondContact O-N 3.4Å; G133-K135 PolarHBondContact O-N 2.93Å
134V45.2Very low39.6Very low113 Ų113133.4 Ų133.469%0.68575%0.753SS**  trans-65.9125.4165.1176.70000109.3F132 V136F132-V134 PolarHBondContact O-N 2.87Å; V134-V136 HydrophobicContact CG1-CG2 4.42Å; V134-V136 PolarHBondContact O-N 3.44Å
135K39.7Very low39.4Very low204 Ų204134.8 Ų134.889%0.88776%0.761SS**  trans-74.690.6177.1-68.1-179.1-178.7176.40110.8G133G133-K135 PolarHBondContact O-N 2.93Å
136V45.6Very low39.2Very low110 Ų110133.1 Ų133.167%0.66776%0.756SS**  trans-81.9125.9170.2-166.50000109.3V134 Y138V134-V136 HydrophobicContact CG1-CG2 4.42Å; V134-V136 PolarHBondContact O-N 3.44Å; V136-Y138 PolarHBondContact O-N 3.08Å
137P39.3Very low39.3Very low116 Ų116133 Ų13375%0.75375%0.754SS**  trans-71.1112.7175.1-13.828.8000110.3V139P137-V139 PolarHBondContact O-N 3.07Å
138Y36.7Very low39Very low196 Ų196134.3 Ų134.377%0.76976%0.763SS**  trans-72.5114169.5179.8-102.7000109.4V136 Q140V136-Y138 PolarHBondContact O-N 3.08Å; Y138-Q140 HydrophobicContact CD1-CB 4.4Å; Y138-Q140 HydrophobicContact CE1-CB 4.34Å; Y138-Q140 HydrophobicContact CE1-CG 4.44Å; Y138-Q140 PolarHBondContact O-N 2.86Å
139V45Very low39.4Very low128 Ų128130 Ų13078%0.77676%0.757SS**  trans-73.3109.8169.61780000107.8P137 A141P137-V139 PolarHBondContact O-N 3.07Å; V139-A141 PolarHBondContact O-N 3.02Å
140Q37.8Very low39.5Very low139 Ų139129.7 Ų129.765%0.6576%0.764SS**  trans-70.9102.3-177.7-166178-24.400110.2Y138 N142Y138-Q140 HydrophobicContact CD1-CB 4.4Å; Y138-Q140 HydrophobicContact CE1-CB 4.34Å; Y138-Q140 HydrophobicContact CE1-CG 4.44Å; Y138-Q140 PolarHBondContact O-N 2.86Å; Q140-N142 WeakPolarHBondContact CG-OD1 3.35Å; Q140-N142 PolarHBondContact NE2-OD1 3.05Å; Q140-N142 PolarHBondContact O-N 3.32Å
141A35.3Very low39.5Very low82 Ų82126.5 Ų126.568%0.67876%0.757SS**  trans-71.480.2172.900000110V139 S143V139-A141 PolarHBondContact O-N 3.02Å; A141-S143 PolarHBondContact O-N 3.07Å
142N42.2Very low39.4Very low120 Ų120126.8 Ų126.864%0.64276%0.759SS**  trans-69.998.9175.8-82.9-10.1000110.4Q140 G144Q140-N142 WeakPolarHBondContact CG-OD1 3.35Å; Q140-N142 PolarHBondContact NE2-OD1 3.05Å; Q140-N142 PolarHBondContact O-N 3.32Å; N142-G144 PolarHBondContact O-N 3.13Å
143S37.6Very low39.8Very low132 Ų132123.9 Ų123.992%0.92376%0.759SS**  trans-68.168.4156.838.70000110.1A141A141-S143 PolarHBondContact O-N 3.07Å
144G39.9Very low40.1Very low63 Ų63129.4 Ų129.465%0.64976%0.764SS**  trans-127.7104.617900000110.5N142N142-G144 PolarHBondContact O-N 3.13Å
145L38.6Very low40.6Very low160 Ų160134.8 Ų134.884%0.83877%0.772SS**  trans-64.1145.6178.1-74.1155.1000111.5
146N34Very low41.3Very low159 Ų159130.1 Ų130.185%0.8576%0.762SS**  trans76.486.1163-47.7-27.4000117.4
147G36.1Very low42Very low67 Ų67131 Ų13169%0.69176%0.762SS**  trans174.293.4164.500000115.7I149G147-I149 PolarHBondContact O-N 3.45Å
148S35Very low43.6Very low133 Ų133128 Ų12893%0.9374%0.742SS**  trans24.290.2158.1-169.30000117.6
149I41.4Very low45.5Very low150 Ų150122.5 Ų122.577%0.76974%0.737SS**  trans-87.4111.2173.5-60.6175.4000110G147 V151G147-I149 PolarHBondContact O-N 3.45Å; I149-V151 HydrophobicContact CG2-CG2 4.03Å; I149-V151 PolarHBondContact O-N 3.25Å
150S41.2Very low47.2Very low109 Ų109120.2 Ų120.276%0.76272%0.723SS**  trans-76.5106.2161.5-177.70000109S152S150-S152 PolarHBondContact O-N 2.97Å; S150-S152 VanDerWaalsContact O-N 3.15Å
151V40.9Very low49.1Very low125 Ų125117.1 Ų117.176%0.75871%0.711SS**  trans-75.5102.6-177.6-178.90000110I149I149-V151 HydrophobicContact CG2-CG2 4.03Å; I149-V151 PolarHBondContact O-N 3.25Å
152S40.6Very low51.6Low97 Ų97119.8 Ų119.868%0.67871%0.708SS**PPolyproline II helixtrans-81.6137.3163.3-62.40000109.6S150S150-S152 PolarHBondContact O-N 2.97Å; S150-S152 VanDerWaalsContact O-N 3.15Å
153P46.4Very low53.7Low123 Ų123120 Ų12080%0.79971%0.708SS**PPolyproline II helixtrans-68141.3-172.126.9-34.3000112.1R155P153-R155 PolarHBondContact O-N 3.43Å
154Q43.2Very low55.9Low191 Ų191122 Ų12289%0.89370%0.696SS**PPolyproline II helixtrans-61.7125.6-179.3-65.8177.9-5.500110.8
155R56.2Low58.2Low227 Ų227124 Ų12486%0.85769%0.691SS**PPolyproline II helixtrans-72.3127.9171.6-163.7-179.9-167.3-173.13.7108.3P153 I157P153-R155 PolarHBondContact O-N 3.43Å; R155-I157 PolarHBondContact O-N 3.07Å
156P54.1Low60.6Low105 Ų105118.3 Ų118.368%0.68267%0.667SS**PPolyproline II helixtrans-63.4135.7179.125.9-33.6000110.1T158P156-T158 PolarHBondContact O-N 3.41Å
157I60.6Low63.2Low129 Ų129115.9 Ų115.966%0.66265%0.65SS**PPolyproline II helixtrans-61.4121.3177.2-58.4169.2000107.8R155 D161 F162R155-I157 PolarHBondContact O-N 3.07Å; I157-D161 HydrophobicContact CG2-CB 4.2Å; I157-F162 HydrophobicContact CG2-CD2 3.79Å; I157-F162 HydrophobicContact CG2-CE2 3.79Å
158T73.5Confident65.7Low54 Ų54115.2 Ų115.233%0.33163%0.633SS.*PPolyproline II helixtrans-86.3152.6-176.166.60000110.8P156 T160 D161 F162P156-T158 PolarHBondContact O-N 3.41Å; T158-T160 WeakPolarHBondContact CB-OG1 3.45Å; T158-T160 PolarHBondContact O-N 2.83Å; T158-T160 VanDerWaalsContact O-N 3.13Å; T158-T160 PolarHBondContact OG1-OG1 2.92Å; T158-D161 WeakPolarHBondContact CB-OD2 3.33Å; T158-D161 PolarHBondContact N-OD2 2.96Å; T158-D161 WeakPolarHBondContact O-CB 2.88Å; T158-D161 PolarHBondContact O-N 3.43Å; T158-D161 PolarHBondContact OG1-N 2.98Å; T158-D161 PolarHBondContact OG1-OD2 2.71Å; T158-F162 PolarHBondContact O-N 2.67Å
159A76.8Confident68.4Low79 Ų79112.9 Ų112.965%0.65361%0.613SS**Hα-helixtrans-56.6-30.1174.900000112D161 F162 L163A159-D161 VanDerWaalsContact C-N 3.33Å; A159-D161 PolarHBondContact O-N 3.11Å; A159-F162 PolarHBondContact O-N 2.69Å; A159-L163 WeakPolarHBondContact O-CG 3.06Å; A159-L163 PolarHBondContact O-N 2.75Å
160T80.4Confident70.7Confident81 Ų81113 Ų11350%0.49760%0.604SS.*Hα-helixtrans-65.3-28.9173.138.90000114.1T158 R164T158-T160 WeakPolarHBondContact CB-OG1 3.45Å; T158-T160 PolarHBondContact O-N 2.83Å; T158-T160 VanDerWaalsContact O-N 3.13Å; T158-T160 PolarHBondContact OG1-OG1 2.92Å; T160-R164 WeakPolarHBondContact O-CG 3.36Å; T160-R164 PolarHBondContact O-N 2.93Å; T160-R164 VanDerWaalsContact O-N 3.09Å
161D77.6Confident73.1Confident73 Ų73112.2 Ų112.239%0.3959%0.588SS.*Hα-helixtrans-73.6-40.5175.1-57.1-46.4000110.8I157 T158 A159 R164 L165I157-D161 HydrophobicContact CG2-CB 4.2Å; T158-D161 WeakPolarHBondContact CB-OD2 3.33Å; T158-D161 PolarHBondContact N-OD2 2.96Å; T158-D161 WeakPolarHBondContact O-CB 2.88Å; T158-D161 PolarHBondContact O-N 3.43Å; T158-D161 PolarHBondContact OG1-N 2.98Å; T158-D161 PolarHBondContact OG1-OD2 2.71Å; A159-D161 VanDerWaalsContact C-N 3.33Å; A159-D161 PolarHBondContact O-N 3.11Å; D161-R164 PolarHBondContact O-N 3.45Å; D161-L165 WeakPolarHBondContact O-CB 3.38Å; D161-L165 PolarHBondContact O-N 3.46Å
162F86.7Confident75.4Confident139 Ų139111.3 Ų111.361%0.6158%0.578SS**Hα-helixtrans-62.6-42.4172.3-97-83000112.7I157 T158 A159 L165 A166I157-F162 HydrophobicContact CG2-CD2 3.79Å; I157-F162 HydrophobicContact CG2-CE2 3.79Å; T158-F162 PolarHBondContact O-N 2.67Å; A159-F162 PolarHBondContact O-N 2.69Å; F162-L165 PolarHBondContact O-N 3.42Å; F162-A166 WeakPolarHBondContact O-CB 3.24Å; F162-A166 PolarHBondContact O-N 3.47Å
163L86.6Confident77.7Confident123 Ų123114.5 Ų114.564%0.64458%0.575SS**Hα-helixtrans-64.5-41.7176.3-72.5171.1000112.2A159 A166 E167A159-L163 WeakPolarHBondContact O-CG 3.06Å; A159-L163 PolarHBondContact O-N 2.75Å; L163-A166 PolarHBondContact O-N 2.95Å; L163-E167 PolarHBondContact O-N 3.45Å
164R84.2Confident79.7Confident176 Ų176112 Ų11266%0.66456%0.56SS**Hα-helixtrans-63.9-38.9173.5-79.1-179.3174.9136-0.1112.7T160 D161 E167 T168T160-R164 WeakPolarHBondContact O-CG 3.36Å; T160-R164 PolarHBondContact O-N 2.93Å; T160-R164 VanDerWaalsContact O-N 3.09Å; D161-R164 PolarHBondContact O-N 3.45Å; R164-E167 PolarHBondContact O-N 2.84Å; R164-T168 WeakPolarHBondContact O-CB 3.38Å; R164-T168 PolarHBondContact O-N 2.84Å; R164-T168 PolarHBondContact O-OG1 2.8Å
165L87.6Confident81.9Confident104 Ų104105.6 Ų105.655%0.54553%0.532SS..Hα-helixtrans-66-45.4176.1-176.861.2000111.1D161 F162 E167 T168 V169D161-L165 WeakPolarHBondContact O-CB 3.38Å; D161-L165 PolarHBondContact O-N 3.46Å; F162-L165 PolarHBondContact O-N 3.42Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.03Å; L165-T168 PolarHBondContact O-N 2.89Å; L165-V169 WeakPolarHBondContact O-CG2 3.42Å; L165-V169 PolarHBondContact O-N 3.33Å
166A88.9Confident83.5Confident41 Ų41101.6 Ų101.634%0.33952%0.523SS..Hα-helixtrans-58.6-40.7175.900000112.1F162 L163 V169 R170F162-A166 WeakPolarHBondContact O-CB 3.24Å; F162-A166 PolarHBondContact O-N 3.47Å; L163-A166 PolarHBondContact O-N 2.95Å; A166-V169 PolarHBondContact O-N 3.02Å; A166-R170 PolarHBondContact O-N 2.95Å
167E89.2Confident85.3Confident107 Ų107100.9 Ų100.950%0.551%0.51SS..Hα-helixtrans-69.5-39.9176.8-163.554.8-150.700112.6L163 R164 L165 V169 R170 H171L163-E167 PolarHBondContact O-N 3.45Å; R164-E167 PolarHBondContact O-N 2.84Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.03Å; E167-V169 VanDerWaalsContact C-N 3.27Å; E167-V169 PolarHBondContact O-N 2.81Å; E167-R170 PolarHBondContact O-N 3.03Å; E167-R170 IonicContact OE2-CZ 3.91Å; E167-R170 IonicContact OE2-NH1 2.87Å; E167-R170 PolarHBondContact OE2-NH1 2.59Å; E167-H171 PolarHBondContact O-N 2.8Å
168T88.9Confident86.7Confident53 Ų5397.6 Ų97.633%0.32550%0.496SS..Hα-helixtrans-60.1-39.9172.6-52.30000111R164 L165 H171 L172R164-T168 WeakPolarHBondContact O-CB 3.38Å; R164-T168 PolarHBondContact O-N 2.84Å; R164-T168 PolarHBondContact O-OG1 2.8Å; L165-T168 PolarHBondContact O-N 2.89Å; T168-H171 PolarHBondContact O-N 3.2Å; T168-L172 HydrophobicContact CG2-CD1 4.17Å; T168-L172 WeakPolarHBondContact O-CB 3.34Å; T168-L172 VanDerWaalsContact O-CG 3.28Å; T168-L172 WeakPolarHBondContact O-CG 3.47Å; T168-L172 PolarHBondContact O-N 3.37Å
169V91.9Very high87.6Confident85 Ų8598.5 Ų98.552%0.51550%0.499SS..Hα-helixtrans-67.9-39.1176.2170.80000112L165 A166 E167 L172 R173L165-V169 WeakPolarHBondContact O-CG2 3.42Å; L165-V169 PolarHBondContact O-N 3.33Å; A166-V169 PolarHBondContact O-N 3.02Å; E167-V169 VanDerWaalsContact C-N 3.27Å; E167-V169 PolarHBondContact O-N 2.81Å; V169-L172 PolarHBondContact O-N 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 PolarHBondContact O-N 3.13Å
170R90.4Very high88.4Confident152 Ų15298.3 Ų98.357%0.57449%0.493SS*.Hα-helixtrans-60.8-47.4171.8-73.5-169.3-169.597.25.6111.8A166 E167 L172 R173 C174A166-R170 PolarHBondContact O-N 2.95Å; E167-R170 PolarHBondContact O-N 3.03Å; E167-R170 IonicContact OE2-CZ 3.91Å; E167-R170 IonicContact OE2-NH1 2.87Å; E167-R170 PolarHBondContact OE2-NH1 2.59Å; R170-L172 PolarHBondContact O-N 2.99Å; R170-R173 PolarHBondContact O-N 3.38Å; R170-C174 PolarHBondContact O-N 3.43Å
171H90.1Very high89.1Confident92 Ų92100.8 Ų100.843%0.42650%0.499SS..Hα-helixtrans-65.2-39179.8-165.3-35.4000111.9E167 T168 C174 N175E167-H171 PolarHBondContact O-N 2.8Å; T168-H171 PolarHBondContact O-N 3.2Å; H171-C174 PolarHBondContact O-N 3.03Å; H171-N175 PolarHBondContact CE1-OD1 3.45Å; H171-N175 PolarHBondContact ND1-ND2 2.98Å; H171-N175 PolarHBondContact ND1-OD1 3.01Å; H171-N175 VanDerWaalsContact ND1-OD1 3.14Å; H171-N175 WeakPolarHBondContact O-CB 3.14Å; H171-N175 PolarHBondContact O-N 3.46Å; H171-N175 PolarHBondContact O-OD1 3.44Å
172L89.2Confident89.9Confident106 Ų106102.1 Ų102.156%0.55550%0.503SS*.Hα-helixtrans-62.3-42.1173.4-77.6168.5000111.8T168 V169 R170 N175 Q176T168-L172 HydrophobicContact CG2-CD1 4.17Å; T168-L172 WeakPolarHBondContact O-CB 3.34Å; T168-L172 VanDerWaalsContact O-CG 3.28Å; T168-L172 WeakPolarHBondContact O-CG 3.47Å; T168-L172 PolarHBondContact O-N 3.37Å; V169-L172 PolarHBondContact O-N 3.31Å; R170-L172 PolarHBondContact O-N 2.99Å; L172-N175 PolarHBondContact O-N 2.69Å; L172-Q176 WeakPolarHBondContact O-CB 3.39Å; L172-Q176 PolarHBondContact O-N 3.23Å
173R89.9Confident90.1Very high164 Ų16499.7 Ų99.762%0.61950%0.495SS*.Hα-helixtrans-64.2-46175.8-178.7179.5170.3166.82.2112.1V169 R170 N175 Q176 E177V169-R173 WeakPolarHBondContact O-CB 3.48Å; V169-R173 PolarHBondContact O-N 3.13Å; R170-R173 PolarHBondContact O-N 3.38Å; R173-N175 VanDerWaalsContact C-N 3.34Å; R173-N175 PolarHBondContact O-N 3.11Å; R173-Q176 WeakPolarHBondContact O-CB 3.46Å; R173-Q176 PolarHBondContact O-N 3.35Å; R173-Q176 VanDerWaalsContact O-N 3.13Å; R173-E177 WeakPolarHBondContact CG-OE1 3.45Å; R173-E177 IonicContact CZ-OE1 2.8Å; R173-E177 IonicContact NE-OE1 2.73Å; R173-E177 PolarHBondContact NE-OE1 2.84Å; R173-E177 IonicContact NH2-OE1 3.81Å; R173-E177 PolarHBondContact NH2-OE1 2.98Å; R173-E177 WeakPolarHBondContact O-CG 3.1Å; R173-E177 PolarHBondContact O-N 3.08Å
174C88.4Confident90.5Very high71 Ų7197.5 Ų97.548%0.4849%0.49SS..Hα-helixtrans-59.8-45.1176.3-175.10000111.2R170 H171 Q176 E177 T178R170-C174 PolarHBondContact O-N 3.43Å; H171-C174 PolarHBondContact O-N 3.03Å; C174-Q176 VanDerWaalsContact C-N 3.32Å; C174-Q176 PolarHBondContact O-N 2.81Å; C174-E177 PolarHBondContact O-N 3.36Å; C174-T178 PolarHBondContact O-N 2.62Å; C174-T178 PolarHBondContact O-OG1 2.99Å; C174-T178 VanDerWaalsContact O-OG1 3.06Å
175N89.4Confident90.9Very high57 Ų5792.7 Ų92.731%0.30548%0.48SS..Hα-helixtrans-60.2-40.3173.4-71.7-4.8000112.4H171 L172 R173 T178 L179H171-N175 PolarHBondContact CE1-OD1 3.45Å; H171-N175 PolarHBondContact ND1-ND2 2.98Å; H171-N175 PolarHBondContact ND1-OD1 3.01Å; H171-N175 VanDerWaalsContact ND1-OD1 3.14Å; H171-N175 WeakPolarHBondContact O-CB 3.14Å; H171-N175 PolarHBondContact O-N 3.46Å; H171-N175 PolarHBondContact O-OD1 3.44Å; L172-N175 PolarHBondContact O-N 2.69Å; R173-N175 VanDerWaalsContact C-N 3.34Å; R173-N175 PolarHBondContact O-N 3.11Å; N175-T178 PolarHBondContact O-N 3.34Å; N175-L179 WeakPolarHBondContact O-CB 3.25Å; N175-L179 VanDerWaalsContact O-CG 3.26Å; N175-L179 WeakPolarHBondContact O-CG 3.18Å; N175-L179 PolarHBondContact O-N 3.31Å
176Q89.6Confident91.1Very high142 Ų14292.1 Ų92.166%0.66448%0.477SS*.Hα-helixtrans-65.3-40.6178.1-173.2178.16.800111.6L172 R173 C174 S180L172-Q176 WeakPolarHBondContact O-CB 3.39Å; L172-Q176 PolarHBondContact O-N 3.23Å; R173-Q176 WeakPolarHBondContact O-CB 3.46Å; R173-Q176 PolarHBondContact O-N 3.35Å; R173-Q176 VanDerWaalsContact O-N 3.13Å; C174-Q176 VanDerWaalsContact C-N 3.32Å; C174-Q176 PolarHBondContact O-N 2.81Å; Q176-S180 VanDerWaalsContact O-CB 3.27Å; Q176-S180 WeakPolarHBondContact O-CB 3.41Å; Q176-S180 PolarHBondContact O-N 3.07Å
177E92Very high91.3Very high90 Ų9096.6 Ų96.642%0.42149%0.489SS..Hα-helixtrans-65.1-44.3174.6-71.2169.4-171.800111R173 C174 S180 Q181R173-E177 WeakPolarHBondContact CG-OE1 3.45Å; R173-E177 IonicContact CZ-OE1 2.8Å; R173-E177 IonicContact NE-OE1 2.73Å; R173-E177 PolarHBondContact NE-OE1 2.84Å; R173-E177 IonicContact NH2-OE1 3.81Å; R173-E177 PolarHBondContact NH2-OE1 2.98Å; R173-E177 WeakPolarHBondContact O-CG 3.1Å; R173-E177 PolarHBondContact O-N 3.08Å; C174-E177 PolarHBondContact O-N 3.36Å; E177-S180 WeakPolarHBondContact O-CB 3.48Å; E177-S180 PolarHBondContact O-N 3.35Å; E177-Q181 WeakPolarHBondContact O-CG 3.33Å; E177-Q181 PolarHBondContact O-N 3.15Å
178T89.8Confident91.5Very high60 Ų6094.5 Ų94.537%0.36849%0.486SS..Hα-helixtrans-63-44.6174.7-54.20000112.9C174 N175 S180 Q181 Q182C174-T178 PolarHBondContact O-N 2.62Å; C174-T178 PolarHBondContact O-OG1 2.99Å; C174-T178 VanDerWaalsContact O-OG1 3.06Å; N175-T178 PolarHBondContact O-N 3.34Å; T178-S180 VanDerWaalsContact C-N 3.34Å; T178-S180 PolarHBondContact O-N 3.07Å; T178-Q181 PolarHBondContact O-N 3.31Å; T178-Q182 WeakPolarHBondContact O-CG 3.47Å; T178-Q182 PolarHBondContact O-N 2.94Å
179L92.6Very high91.7Very high73 Ų7396.7 Ų96.738%0.38249%0.493SS..Hα-helixtrans-65.9-37177.2-73.2170.8000111.6N175 Q182 I183N175-L179 WeakPolarHBondContact O-CB 3.25Å; N175-L179 VanDerWaalsContact O-CG 3.26Å; N175-L179 WeakPolarHBondContact O-CG 3.18Å; N175-L179 PolarHBondContact O-N 3.31Å; L179-Q182 PolarHBondContact O-N 2.94Å; L179-I183 WeakPolarHBondContact O-CB 3.36Å; L179-I183 VanDerWaalsContact O-CG1 3.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.17Å
180S94.2Very high91.7Very high76 Ų7696 Ų9653%0.53149%0.486SS..Hα-helixtrans-61.2-44.4173.7-172.40000111.7Q176 E177 T178 I183 S184Q176-S180 VanDerWaalsContact O-CB 3.27Å; Q176-S180 WeakPolarHBondContact O-CB 3.41Å; Q176-S180 PolarHBondContact O-N 3.07Å; E177-S180 WeakPolarHBondContact O-CB 3.48Å; E177-S180 PolarHBondContact O-N 3.35Å; T178-S180 VanDerWaalsContact C-N 3.34Å; T178-S180 PolarHBondContact O-N 3.07Å; S180-I183 PolarHBondContact O-N 3.27Å; S180-S184 PolarHBondContact O-N 2.91Å
181Q93.4Very high91.8Very high132 Ų13295.5 Ų95.562%0.61749%0.49SS*.Hα-helixtrans-61.5-46.1174.1-69.7171.612.600112E177 T178 I183 S184 V185E177-Q181 WeakPolarHBondContact O-CG 3.33Å; E177-Q181 PolarHBondContact O-N 3.15Å; T178-Q181 PolarHBondContact O-N 3.31Å; Q181-I183 PolarHBondContact O-N 3.46Å; Q181-S184 WeakPolarHBondContact O-CB 3.39Å; Q181-S184 PolarHBondContact O-N 2.98Å; Q181-S184 VanDerWaalsContact O-N 3.14Å; Q181-V185 PolarHBondContact O-N 3.35Å
182Q94.3Very high92Very high102 Ų10295.8 Ų95.848%0.47749%0.494SS..Hα-helixtrans-61.6-41.9176.6-72.7179.6-3.600112.5T178 L179 S184 V185 L186T178-Q182 WeakPolarHBondContact O-CG 3.47Å; T178-Q182 PolarHBondContact O-N 2.94Å; L179-Q182 PolarHBondContact O-N 2.94Å; Q182-S184 VanDerWaalsContact C-N 3.29Å; Q182-S184 PolarHBondContact O-N 3.49Å; Q182-V185 PolarHBondContact O-N 2.93Å; Q182-L186 WeakPolarHBondContact O-CB 3.3Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 2.95Å; Q182-L186 PolarHBondContact O-N 2.94Å
183I92.7Very high92.1Very high87 Ų8794.9 Ų94.945%0.44649%0.49SS..Hα-helixtrans-64.2-35.9175.1-70.4166.1000110.9L179 S180 Q181 K187L179-I183 WeakPolarHBondContact O-CB 3.36Å; L179-I183 VanDerWaalsContact O-CG1 3.25Å; L179-I183 WeakPolarHBondContact O-CG1 3.48Å; L179-I183 PolarHBondContact O-N 3.17Å; S180-I183 PolarHBondContact O-N 3.27Å; Q181-I183 PolarHBondContact O-N 3.46Å; I183-K187 HydrophobicContact CG2-CD 4.13Å; I183-K187 HydrophobicContact CG2-CG 4.5Å; I183-K187 WeakPolarHBondContact O-CB 3.34Å; I183-K187 VanDerWaalsContact O-CG 3.24Å; I183-K187 WeakPolarHBondContact O-CG 3.48Å; I183-K187 PolarHBondContact O-N 3.24Å
184S93Very high92.3Very high78 Ų7894.4 Ų94.455%0.54549%0.489SS..Hα-helixtrans-64.1-49.1175-164.70000111.9S180 Q181 Q182 K187 S188S180-S184 PolarHBondContact O-N 2.91Å; Q181-S184 WeakPolarHBondContact O-CB 3.39Å; Q181-S184 PolarHBondContact O-N 2.98Å; Q181-S184 VanDerWaalsContact O-N 3.14Å; Q182-S184 VanDerWaalsContact C-N 3.29Å; Q182-S184 PolarHBondContact O-N 3.49Å; S184-K187 WeakPolarHBondContact O-CB 3.28Å; S184-K187 PolarHBondContact O-N 3.45Å; S184-S188 PolarHBondContact O-N 3.29Å
185V93.7Very high92.5Very high75 Ų7599.2 Ų99.246%0.45550%0.497SS..Hα-helixtrans-60.4-50.1176.7175.10000110.6Q181 Q182 K187 S188 E189Q181-V185 PolarHBondContact O-N 3.35Å; Q182-V185 PolarHBondContact O-N 2.93Å; V185-K187 VanDerWaalsContact C-N 3.26Å; V185-K187 PolarHBondContact O-N 2.86Å; V185-S188 PolarHBondContact O-N 3.43Å; V185-S188 PolarHBondContact O-OG 3.03Å; V185-E189 HydrophobicContact CG1-CG 4.33Å; V185-E189 PolarHBondContact O-N 2.96Å
186L91.1Very high92.6Very high91 Ų91101 Ų10148%0.47650%0.504SS..Hα-helixtrans-60.1-33.5177.1-72.4170000112.5Q182 N190Q182-L186 WeakPolarHBondContact O-CB 3.3Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 2.95Å; Q182-L186 PolarHBondContact O-N 2.94Å; L186-N190 WeakPolarHBondContact O-CB 3.42Å; L186-N190 PolarHBondContact O-N 3.45Å; L186-N190 PolarHBondContact O-ND2 2.85Å
187K93.5Very high92.7Very high135 Ų13599.4 Ų99.459%0.58750%0.499SS*.Hα-helixtrans-65.5-43.7172.5-81173.2178.4-179.70111.5I183 S184 V185 N190 Q191I183-K187 HydrophobicContact CG2-CD 4.13Å; I183-K187 HydrophobicContact CG2-CG 4.5Å; I183-K187 WeakPolarHBondContact O-CB 3.34Å; I183-K187 VanDerWaalsContact O-CG 3.24Å; I183-K187 WeakPolarHBondContact O-CG 3.48Å; I183-K187 PolarHBondContact O-N 3.24Å; S184-K187 WeakPolarHBondContact O-CB 3.28Å; S184-K187 PolarHBondContact O-N 3.45Å; V185-K187 VanDerWaalsContact C-N 3.26Å; V185-K187 PolarHBondContact O-N 2.86Å; K187-N190 PolarHBondContact O-N 3.01Å; K187-Q191 WeakPolarHBondContact O-CB 3.42Å; K187-Q191 VanDerWaalsContact O-CG 3.31Å; K187-Q191 WeakPolarHBondContact O-CG 3.38Å; K187-Q191 PolarHBondContact O-N 3.24Å
188S93.1Very high92.7Very high63 Ų6398.5 Ų98.544%0.44150%0.503SS..Hα-helixtrans-66.6-40.417763.90000113.2S184 V185 Q191 L192S184-S188 PolarHBondContact O-N 3.29Å; V185-S188 PolarHBondContact O-N 3.43Å; V185-S188 PolarHBondContact O-OG 3.03Å; S188-Q191 PolarHBondContact O-N 3.47Å; S188-L192 PolarHBondContact O-N 3.3Å
189E92.4Very high92.8Very high99 Ų9999.2 Ų99.246%0.46350%0.504SS..Hα-helixtrans-64.4-44.4174.9-70.6176.2169.600111.5V185 Q191 L192 L193V185-E189 HydrophobicContact CG1-CG 4.33Å; V185-E189 PolarHBondContact O-N 2.96Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; E189-Q191 PolarHBondContact O-N 3.3Å; E189-L192 PolarHBondContact O-N 2.89Å; E189-L193 WeakPolarHBondContact O-CG 3.37Å; E189-L193 PolarHBondContact O-N 3.3Å
190N92.1Very high92.8Very high71 Ų71101.2 Ų101.238%0.3852%0.515SS..Hα-helixtrans-62.2-40.7174.4-84.4-81.3000111.8L186 K187 L192 L193 Y194L186-N190 WeakPolarHBondContact O-CB 3.42Å; L186-N190 PolarHBondContact O-N 3.45Å; L186-N190 PolarHBondContact O-ND2 2.85Å; K187-N190 PolarHBondContact O-N 3.01Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 2.95Å; N190-L193 PolarHBondContact O-N 2.97Å; N190-Y194 HydrophobicContact CB-CD2 4.37Å; N190-Y194 HydrophobicContact CB-CE2 4.04Å; N190-Y194 WeakPolarHBondContact O-CD2 3.48Å; N190-Y194 PolarHBondContact O-N 3.4Å
191Q92.7Very high92.8Very high141 Ų141105 Ų10566%0.65952%0.518SS*.Hα-helixtrans-60.3-39.9175.4-77.9174.3-8.900112.3K187 S188 E189 R195K187-Q191 WeakPolarHBondContact O-CB 3.42Å; K187-Q191 VanDerWaalsContact O-CG 3.31Å; K187-Q191 WeakPolarHBondContact O-CG 3.38Å; K187-Q191 PolarHBondContact O-N 3.24Å; S188-Q191 PolarHBondContact O-N 3.47Å; E189-Q191 VanDerWaalsContact C-N 3.34Å; E189-Q191 PolarHBondContact O-N 3.3Å; Q191-R195 PolarHBondContact O-N 2.94Å
192L94.1Very high92.8Very high98 Ų98103.7 Ų103.751%0.51351%0.511SS..Hα-helixtrans-64.6-48.3173.9-177.662.5000111.4S188 E189 N190 Y194 R195 E196S188-L192 PolarHBondContact O-N 3.3Å; E189-L192 PolarHBondContact O-N 2.89Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 2.95Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; L192-Y194 PolarHBondContact O-N 3.04Å; L192-R195 WeakPolarHBondContact O-CA 3.38Å; L192-R195 WeakPolarHBondContact O-CB 3.36Å; L192-R195 PolarHBondContact O-N 3.01Å; L192-E196 PolarHBondContact O-N 3.01Å
193L91.7Very high92.7Very high88 Ų88104.1 Ų104.146%0.46151%0.513SS..Hα-helixtrans-61.1-37.7177.8-69.5171.8000112.7E189 N190 R195 E196 L197E189-L193 WeakPolarHBondContact O-CG 3.37Å; E189-L193 PolarHBondContact O-N 3.3Å; N190-L193 PolarHBondContact O-N 2.97Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.32Å; L193-E196 PolarHBondContact O-N 2.86Å; L193-L197 VanDerWaalsContact O-CB 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.47Å
194Y93.5Very high92.8Very high153 Ų153105.4 Ų105.460%0.652%0.517SS*.Hα-helixtrans-65.3-32.5174-73.7-55.6000112.5N190 L192 S198N190-Y194 HydrophobicContact CB-CD2 4.37Å; N190-Y194 HydrophobicContact CB-CE2 4.04Å; N190-Y194 WeakPolarHBondContact O-CD2 3.48Å; N190-Y194 PolarHBondContact O-N 3.4Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; L192-Y194 PolarHBondContact O-N 3.04Å; Y194-S198 WeakPolarHBondContact O-CB 3.42Å; Y194-S198 PolarHBondContact O-N 3.22Å; Y194-S198 VanDerWaalsContact O-N 3.11Å; Y194-S198 PolarHBondContact O-OG 2.94Å
195R93.5Very high92.8Very high173 Ų173104.5 Ų104.565%0.65351%0.506SS*.Hα-helixtrans-69.3-52.1173.5-173.8177.6-179.31640.9110.9Q191 L192 L193 L197 S198 D199Q191-R195 PolarHBondContact O-N 2.94Å; L192-R195 WeakPolarHBondContact O-CA 3.38Å; L192-R195 WeakPolarHBondContact O-CB 3.36Å; L192-R195 PolarHBondContact O-N 3.01Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.32Å; R195-L197 VanDerWaalsContact C-N 3.31Å; R195-L197 PolarHBondContact O-N 3.13Å; R195-S198 WeakPolarHBondContact O-CA 3.48Å; R195-S198 WeakPolarHBondContact O-CB 3.26Å; R195-S198 PolarHBondContact O-N 2.97Å; R195-D199 PolarHBondContact O-N 3.11Å
196E92Very high92.7Very high95 Ų95105.5 Ų105.544%0.44450%0.504SS..Hα-helixtrans-57.5-42177.4-68.6-179.8175.100112.3L192 L193 S198 D199 L200L192-E196 PolarHBondContact O-N 3.01Å; L193-E196 PolarHBondContact O-N 2.86Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.1Å; E196-D199 PolarHBondContact O-N 3.2Å; E196-L200 WeakPolarHBondContact O-CB 3.44Å; E196-L200 VanDerWaalsContact O-CG 3.27Å; E196-L200 WeakPolarHBondContact O-CG 3.35Å; E196-L200 PolarHBondContact O-N 3.44Å
197L92Very high92.8Very high107 Ų107106.9 Ų106.956%0.5651%0.508SS*.Hα-helixtrans-64.4-33.7174.2-76.1171.8000112.8L193 R195 R201L193-L197 VanDerWaalsContact O-CB 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.47Å; R195-L197 VanDerWaalsContact C-N 3.31Å; R195-L197 PolarHBondContact O-N 3.13Å; L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 PolarHBondContact O-N 3.18Å
198S90.6Very high92.7Very high71 Ų71102.4 Ų102.450%0.49749%0.494SS..Hα-helixtrans-69.6-44.7176-60.70000111.1Y194 R195 E196 R201 E202Y194-S198 WeakPolarHBondContact O-CB 3.42Å; Y194-S198 PolarHBondContact O-N 3.22Å; Y194-S198 VanDerWaalsContact O-N 3.11Å; Y194-S198 PolarHBondContact O-OG 2.94Å; R195-S198 WeakPolarHBondContact O-CA 3.48Å; R195-S198 WeakPolarHBondContact O-CB 3.26Å; R195-S198 PolarHBondContact O-N 2.97Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.1Å; S198-R201 WeakPolarHBondContact O-CB 3.35Å; S198-R201 PolarHBondContact O-N 3.25Å; S198-E202 PolarHBondContact O-N 3.07Å
199D92.2Very high92.7Very high76 Ų76105.1 Ų105.141%0.40650%0.499SS..Hα-helixtrans-64.1-46.6177.8-62.2-22.7000110.7R195 E196 R201 E202 H203R195-D199 PolarHBondContact O-N 3.11Å; E196-D199 PolarHBondContact O-N 3.2Å; D199-R201 VanDerWaalsContact C-N 3.31Å; D199-R201 PolarHBondContact O-N 2.92Å; D199-E202 PolarHBondContact O-N 2.92Å; D199-H203 PolarHBondContact O-CD2 2.92Å; D199-H203 PolarHBondContact O-N 3.03Å
200L91.9Very high92.8Very high115 Ų115105.7 Ų105.760%0.60251%0.505SS*.Hα-helixtrans-60-38.7173.9-74.8172000112.4E196 H203 H204E196-L200 WeakPolarHBondContact O-CB 3.44Å; E196-L200 VanDerWaalsContact O-CG 3.27Å; E196-L200 WeakPolarHBondContact O-CG 3.35Å; E196-L200 PolarHBondContact O-N 3.44Å; L200-H203 PolarHBondContact O-N 3.29Å; L200-H204 WeakPolarHBondContact O-CB 3.29Å; L200-H204 PolarHBondContact O-N 2.97Å
201R94.9Very high92.8Very high156 Ų156107.7 Ų107.759%0.58952%0.515SS*.Hα-helixtrans-66.1-39.7175.8-169.9-177.1-168.2-57.8-16.6111.5L197 S198 D199 H204 D205L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 PolarHBondContact O-N 3.18Å; S198-R201 WeakPolarHBondContact O-CB 3.35Å; S198-R201 PolarHBondContact O-N 3.25Å; D199-R201 VanDerWaalsContact C-N 3.31Å; D199-R201 PolarHBondContact O-N 2.92Å; R201-H204 PolarHBondContact O-N 3.19Å; R201-D205 IonicContact CZ-OD2 2.81Å; R201-D205 IonicContact NH1-OD2 3.79Å; R201-D205 PolarHBondContact NH1-OD2 2.9Å; R201-D205 WeakPolarHBondContact O-CB 3.37Å; R201-D205 PolarHBondContact O-N 2.92Å
202E93.2Very high92.8Very high104 Ų104106.6 Ų106.649%0.48651%0.51SS..Hα-helixtrans-65.5-42.2174.3-166.1-173.5144.600111.5S198 D199 H204 D205 K206S198-E202 PolarHBondContact O-N 3.07Å; D199-E202 PolarHBondContact O-N 2.92Å; E202-H204 PolarHBondContact O-N 3.25Å; E202-D205 PolarHBondContact O-N 3.42Å; E202-K206 HydrophobicContact CG-CD 4.46Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.22Å; E202-K206 PolarHBondContact O-N 2.95Å; E202-K206 WeakPolarHBondContact OE1-CE 3.31Å; E202-K206 IonicContact OE1-NZ 3.98Å; E202-K206 PolarHBondContact OE1-NZ 2.77Å
203H93.1Very high92.7Very high110 Ų110105.1 Ų105.151%0.50951%0.505SS..Hα-helixtrans-61.3-42.1173.6-81.2-72.3000112.5D199 L200 K206 Q207D199-H203 PolarHBondContact O-CD2 2.92Å; D199-H203 PolarHBondContact O-N 3.03Å; L200-H203 PolarHBondContact O-N 3.29Å; H203-K206 PolarHBondContact O-N 3.01Å; H203-Q207 WeakPolarHBondContact O-CG 3.5Å; H203-Q207 PolarHBondContact O-N 3.43Å
204H94.3Very high92.8Very high115 Ų115106.1 Ų106.153%0.53251%0.51SS..Hα-helixtrans-63.6-44.7174.2177.1-86000112L200 R201 E202 K206 Q207 S208L200-H204 WeakPolarHBondContact O-CB 3.29Å; L200-H204 PolarHBondContact O-N 2.97Å; R201-H204 PolarHBondContact O-N 3.19Å; E202-H204 PolarHBondContact O-N 3.25Å; H204-K206 VanDerWaalsContact C-N 3.32Å; H204-K206 PolarHBondContact O-N 2.89Å; H204-Q207 PolarHBondContact O-N 2.71Å; H204-S208 WeakPolarHBondContact O-CB 3.31Å; H204-S208 PolarHBondContact O-N 3.35Å
205D92.2Very high92.7Very high58 Ų58105.6 Ų105.631%0.3151%0.511SS..Hα-helixtrans-66.1-33.9178.7-75-7.4000111.7R201 E202 Q209R201-D205 IonicContact CZ-OD2 2.81Å; R201-D205 IonicContact NH1-OD2 3.79Å; R201-D205 PolarHBondContact NH1-OD2 2.9Å; R201-D205 WeakPolarHBondContact O-CB 3.37Å; R201-D205 PolarHBondContact O-N 2.92Å; E202-D205 PolarHBondContact O-N 3.42Å; D205-Q209 VanDerWaalsContact O-CG 3.29Å; D205-Q209 WeakPolarHBondContact O-CG 3.46Å; D205-Q209 PolarHBondContact O-N 2.96Å; D205-Q209 VanDerWaalsContact O-N 3.08Å; D205-Q209 PolarHBondContact O-NE2 3.06Å; D205-Q209 VanDerWaalsContact O-NE2 3.15Å
206K93.2Very high92.6Very high96 Ų96101.7 Ų101.742%0.41751%0.506SS..Hα-helixtrans-64.7-45.8169.3-73.9167.8-177.5163.90112.1E202 H203 H204 Q209 L210E202-K206 HydrophobicContact CG-CD 4.46Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 VanDerWaalsContact O-CG 3.31Å; E202-K206 WeakPolarHBondContact O-CG 3.22Å; E202-K206 PolarHBondContact O-N 2.95Å; E202-K206 WeakPolarHBondContact OE1-CE 3.31Å; E202-K206 IonicContact OE1-NZ 3.98Å; E202-K206 PolarHBondContact OE1-NZ 2.77Å; H203-K206 PolarHBondContact O-N 3.01Å; H204-K206 VanDerWaalsContact C-N 3.32Å; H204-K206 PolarHBondContact O-N 2.89Å; K206-Q209 PolarHBondContact O-N 2.87Å; K206-L210 PolarHBondContact O-N 3.45Å
207Q92.2Very high92.5Very high121 Ų121103.5 Ų103.557%0.56551%0.513SS*.Hα-helixtrans-62.5-41.5176.1-75.2179-4.600111.8H203 H204 Q209 L210 I211H203-Q207 WeakPolarHBondContact O-CG 3.5Å; H203-Q207 PolarHBondContact O-N 3.43Å; H204-Q207 PolarHBondContact O-N 2.71Å; Q207-Q209 VanDerWaalsContact C-N 3.35Å; Q207-Q209 PolarHBondContact O-N 2.91Å; Q207-L210 PolarHBondContact O-N 2.83Å; Q207-I211 WeakPolarHBondContact O-CG1 3.15Å; Q207-I211 PolarHBondContact O-N 2.77Å
208S92.5Very high92.4Very high41 Ų41104.1 Ų104.129%0.28752%0.516SS..Hα-helixtrans-61.1-41.3175.7-173.30000111.9H204 I211 Q212H204-S208 WeakPolarHBondContact O-CB 3.31Å; H204-S208 PolarHBondContact O-N 3.35Å; S208-I211 PolarHBondContact O-N 2.83Å; S208-Q212 WeakPolarHBondContact O-CB 3.35Å; S208-Q212 VanDerWaalsContact O-CG 3.31Å; S208-Q212 WeakPolarHBondContact O-CG 3.39Å; S208-Q212 PolarHBondContact O-N 2.81Å; S208-Q212 PolarHBondContact OG-NE2 2.95Å
209Q92.9Very high92.2Very high119 Ų119102.3 Ų102.356%0.55650%0.504SS*.Hα-helixtrans-64.1-39.8173.3-72.5167.555.800112.7D205 K206 Q207 Q212 T213D205-Q209 VanDerWaalsContact O-CG 3.29Å; D205-Q209 WeakPolarHBondContact O-CG 3.46Å; D205-Q209 PolarHBondContact O-N 2.96Å; D205-Q209 VanDerWaalsContact O-N 3.08Å; D205-Q209 PolarHBondContact O-NE2 3.06Å; D205-Q209 VanDerWaalsContact O-NE2 3.15Å; K206-Q209 PolarHBondContact O-N 2.87Å; Q207-Q209 VanDerWaalsContact C-N 3.35Å; Q207-Q209 PolarHBondContact O-N 2.91Å; Q209-Q212 PolarHBondContact O-N 3.34Å; Q209-T213 WeakPolarHBondContact O-CB 3.13Å; Q209-T213 WeakPolarHBondContact O-CG2 3.42Å; Q209-T213 PolarHBondContact O-N 2.9Å; Q209-T213 PolarHBondContact O-OG1 3.46Å
210L93.8Very high91.9Very high111 Ų111100.9 Ų100.958%0.58150%0.502SS*.Hα-helixtrans-64.4-40.9173.8-71.2173.1000111.9K206 Q207 T213 L214K206-L210 PolarHBondContact O-N 3.45Å; Q207-L210 PolarHBondContact O-N 2.83Å; L210-T213 WeakPolarHBondContact CA-OG1 3.36Å; L210-T213 PolarHBondContact O-N 2.88Å; L210-T213 PolarHBondContact O-OG1 2.86Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.89Å
211I93.4Very high91.3Very high114 Ų114103 Ų10359%0.58551%0.507SS*.Hα-helixtrans-66-43.4175.9-67.5164.5000110.9Q207 S208 L214 F215Q207-I211 WeakPolarHBondContact O-CG1 3.15Å; Q207-I211 PolarHBondContact O-N 2.77Å; S208-I211 PolarHBondContact O-N 2.83Å; I211-L214 PolarHBondContact O-N 3.04Å; I211-F215 VanDerWaalsContact O-CB 3.32Å; I211-F215 WeakPolarHBondContact O-CB 3.25Å; I211-F215 PolarHBondContact O-N 3.03Å
212Q91.6Very high90.5Very high118 Ų11898.7 Ų98.755%0.55151%0.505SS*.Hα-helixtrans-65-39.7177.4-74.2177.639.900112.5S208 Q209 F215 T216S208-Q212 WeakPolarHBondContact O-CB 3.35Å; S208-Q212 VanDerWaalsContact O-CG 3.31Å; S208-Q212 WeakPolarHBondContact O-CG 3.39Å; S208-Q212 PolarHBondContact O-N 2.81Å; S208-Q212 PolarHBondContact OG-NE2 2.95Å; Q209-Q212 PolarHBondContact O-N 3.34Å; Q212-F215 PolarHBondContact O-N 2.69Å; Q212-T216 WeakPolarHBondContact O-CB 3.43Å; Q212-T216 PolarHBondContact O-N 3.29Å; Q212-T216 PolarHBondContact O-OG1 3.42Å
213T92.7Very high89.2Confident67 Ų67101.8 Ų101.841%0.41152%0.517SS..Hα-helixtrans-68.3-44.8175.648.30000111.4Q209 L210 F215 T216 F217Q209-T213 WeakPolarHBondContact O-CB 3.13Å; Q209-T213 WeakPolarHBondContact O-CG2 3.42Å; Q209-T213 PolarHBondContact O-N 2.9Å; Q209-T213 PolarHBondContact O-OG1 3.46Å; L210-T213 WeakPolarHBondContact CA-OG1 3.36Å; L210-T213 PolarHBondContact O-N 2.88Å; L210-T213 PolarHBondContact O-OG1 2.86Å; T213-F215 PolarHBondContact O-N 3.28Å; T213-T216 WeakPolarHBondContact O-CB 3.24Å; T213-T216 PolarHBondContact O-N 3.1Å; T213-T216 VanDerWaalsContact O-N 3.14Å; T213-F217 WeakPolarHBondContact O-CD2 3.29Å; T213-F217 PolarHBondContact O-N 2.83Å
214L92.6Very high87.5Confident108 Ų108103.6 Ų103.657%0.56553%0.526SS*.Hα-helixtrans-56.9-46.5171.9-75.2169.3000112L210 I211 T216 F217 L218L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 VanDerWaalsContact O-CG 3.24Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.89Å; I211-L214 PolarHBondContact O-N 3.04Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 3.13Å; L214-F217 PolarHBondContact O-N 3.46Å; L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.34Å; L214-L218 PolarHBondContact O-N 2.99Å
215F92.5Very high85.4Confident142 Ų142101.2 Ų101.262%0.62353%0.532SS*.Hα-helixtrans-62.5-37.1176.1-175.3-96000112.2I211 Q212 T213 S219I211-F215 VanDerWaalsContact O-CB 3.32Å; I211-F215 WeakPolarHBondContact O-CB 3.25Å; I211-F215 PolarHBondContact O-N 3.03Å; Q212-F215 PolarHBondContact O-N 2.69Å; T213-F215 PolarHBondContact O-N 3.28Å; F215-S219 WeakPolarHBondContact CE1-OG 3.26Å; F215-S219 WeakPolarHBondContact O-CB 3.46Å; F215-S219 PolarHBondContact O-N 3.09Å; F215-S219 PolarHBondContact O-OG 2.87Å
216T89.9Confident83.3Confident91 Ų91109.6 Ų109.656%0.55856%0.559SS**Hα-helixtrans-67-44.6175.9-58.50000111.6Q212 T213 L214 S219 A220Q212-T216 WeakPolarHBondContact O-CB 3.43Å; Q212-T216 PolarHBondContact O-N 3.29Å; Q212-T216 PolarHBondContact O-OG1 3.42Å; T213-T216 WeakPolarHBondContact O-CB 3.24Å; T213-T216 PolarHBondContact O-N 3.1Å; T213-T216 VanDerWaalsContact O-N 3.14Å; L214-T216 VanDerWaalsContact C-N 3.3Å; L214-T216 PolarHBondContact O-N 3.13Å; T216-S219 PolarHBondContact O-N 2.84Å; T216-A220 PolarHBondContact O-N 3.49Å
217F91Very high80.8Confident133 Ų133110.5 Ų110.558%0.58358%0.578SS**Hα-helixtrans-61.3-49.8174.1-80.5-66.4000111.6T213 L214 S219 A220 F221T213-F217 WeakPolarHBondContact O-CD2 3.29Å; T213-F217 PolarHBondContact O-N 2.83Å; L214-F217 PolarHBondContact O-N 3.46Å; F217-S219 VanDerWaalsContact C-N 3.29Å; F217-S219 PolarHBondContact O-N 3.28Å; F217-A220 WeakPolarHBondContact O-CB 3.35Å; F217-A220 PolarHBondContact O-N 3.26Å; F217-A220 VanDerWaalsContact O-N 3.14Å; F217-F221 WeakPolarHBondContact O-CD2 3.46Å; F217-F221 PolarHBondContact O-N 2.88Å
218L89.4Confident78.5Confident120 Ų120108.5 Ų108.563%0.62858%0.582SS**Hα-helixtrans-61-38.5177.3-69.8172000111.8L214 A220 F221 A222L214-L218 WeakPolarHBondContact O-CB 3.45Å; L214-L218 VanDerWaalsContact O-CG 3.3Å; L214-L218 WeakPolarHBondContact O-CG 3.34Å; L214-L218 PolarHBondContact O-N 2.99Å; L218-A220 VanDerWaalsContact C-N 3.35Å; L218-F221 PolarHBondContact O-N 3.46Å; L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3.38Å
219S87.4Confident75.7Confident34 Ų34112.4 Ų112.424%0.23861%0.609CS.*Hα-helixtrans-67.4-31.6175.5-65.90000113.3F215 T216 F217 K223F215-S219 WeakPolarHBondContact CE1-OG 3.26Å; F215-S219 WeakPolarHBondContact O-CB 3.46Å; F215-S219 PolarHBondContact O-N 3.09Å; F215-S219 PolarHBondContact O-OG 2.87Å; T216-S219 PolarHBondContact O-N 2.84Å; F217-S219 VanDerWaalsContact C-N 3.29Å; F217-S219 PolarHBondContact O-N 3.28Å; S219-K223 WeakPolarHBondContact O-CD 3.39Å; S219-K223 VanDerWaalsContact O-CG 3.23Å; S219-K223 WeakPolarHBondContact O-CG 3.49Å; S219-K223 PolarHBondContact O-N 3.45Å
220A85Confident73.4Confident45 Ų45111.9 Ų111.937%0.37261%0.614SS.*Hα-helixtrans-69.3-53.6172.600000110.5T216 F217 L218 A222 K223 E224T216-A220 PolarHBondContact O-N 3.49Å; F217-A220 WeakPolarHBondContact O-CB 3.35Å; F217-A220 PolarHBondContact O-N 3.26Å; F217-A220 VanDerWaalsContact O-N 3.14Å; L218-A220 VanDerWaalsContact C-N 3.35Å; A220-A222 VanDerWaalsContact C-N 3.28Å; A220-A222 PolarHBondContact O-N 2.94Å; A220-K223 PolarHBondContact O-N 3.14Å; A220-E224 PolarHBondContact O-N 2.97Å
221F80.6Confident70.7Confident159 Ų159112.6 Ų112.670%0.69763%0.627SS**Hα-helixtrans-57.2-38.2176.7-82.7-73.9000113.1F217 L218 K223 G225F217-F221 WeakPolarHBondContact O-CD2 3.46Å; F217-F221 PolarHBondContact O-N 2.88Å; L218-F221 PolarHBondContact O-N 3.46Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.4Å; F221-G225 PolarHBondContact O-N 2.98Å; F221-G225 VanDerWaalsContact O-N 3.08Å
222A76.3Confident68.3Low67 Ų67114.3 Ų114.355%0.55464%0.636SS**Hα-helixtrans-69.8-23.9176.700000113.9L218 A220L218-A222 WeakPolarHBondContact O-CB 3.36Å; L218-A222 PolarHBondContact O-N 3.38Å; A220-A222 VanDerWaalsContact C-N 3.28Å; A220-A222 PolarHBondContact O-N 2.94Å
223K65.8Low65.8Low168 Ų168112 Ų11273%0.7364%0.644SS**Hα-helixtrans-82.4-42.1175.4-76172.5-177.8-178.60111.9S219 A220 F221 G225S219-K223 WeakPolarHBondContact O-CD 3.39Å; S219-K223 VanDerWaalsContact O-CG 3.23Å; S219-K223 WeakPolarHBondContact O-CG 3.49Å; S219-K223 PolarHBondContact O-N 3.45Å; A220-K223 PolarHBondContact O-N 3.14Å; F221-K223 VanDerWaalsContact C-N 3.31Å; F221-K223 PolarHBondContact O-N 3.4Å; K223-G225 PolarHBondContact O-N 3.14Å
224E58.5Low63.4Low149 Ų149117.6 Ų117.670%0.69667%0.665SS**Hα-helixtrans-64.1-28.6172.5-110.372.3-133.300112.5A220 R226A220-E224 PolarHBondContact O-N 2.97Å; E224-R226 PolarHBondContact O-N 3.43Å
225G49.7Very low61Low65 Ų65118.5 Ų118.567%0.6768%0.676SS**THydrogen-bonded Turntrans-66.71.6-17700000117.1F221 K223F221-G225 PolarHBondContact O-N 2.98Å; F221-G225 VanDerWaalsContact O-N 3.08Å; K223-G225 PolarHBondContact O-N 3.14Å
226R47.8Very low58.5Low233 Ų233121.3 Ų121.388%0.87969%0.687SS**THydrogen-bonded Turntrans-11626.1179.4-63.9-168.1-171.3176.13.3114.9E224E224-R226 PolarHBondContact O-N 3.43Å
227S42.1Very low56.1Low115 Ų115128.5 Ų128.580%0.80470%0.704SS**SBendtrans-157.960.7166.8-156.20000114.8
228A42.4Very low53.8Low80 Ų80132 Ų13266%0.66172%0.719SS**  trans-160.183.2170.900000114V230A228-V230 VanDerWaalsContact C-N 3.33Å; A228-V230 HydrophobicContact CB-CG2 4.19Å; A228-V230 PolarHBondContact O-N 3.06Å; A228-V230 VanDerWaalsContact O-N 3.1Å
229S35.1Very low51.4Low122 Ų122130.9 Ų130.985%0.85373%0.728SS**  trans-75.487.3156.960.20000109.2
230V44.6Very low49.2Very low108 Ų108136.9 Ų136.966%0.65576%0.756SS**  trans-11388.1177.4-178.70000110.2A228 I232A228-V230 VanDerWaalsContact C-N 3.33Å; A228-V230 HydrophobicContact CB-CG2 4.19Å; A228-V230 PolarHBondContact O-N 3.06Å; A228-V230 VanDerWaalsContact O-N 3.1Å; V230-I232 HydrophobicContact CG1-CD1 3.88Å; V230-I232 HydrophobicContact CG1-CG1 3.91Å; V230-I232 PolarHBondContact O-N 3.33Å
231C36.4Very low47.1Very low127 Ų127140.7 Ų140.786%0.85878%0.777SS**  trans-78.799.4166.9-580000109.6
232I42.5Very low44.9Very low150 Ų150137.6 Ų137.677%0.76978%0.775SS**  trans-135.6120163.9-56177000106.1V230V230-I232 HydrophobicContact CG1-CD1 3.88Å; V230-I232 HydrophobicContact CG1-CG1 3.91Å; V230-I232 PolarHBondContact O-N 3.33Å
233G38.7Very low43.3Very low69 Ų69142.8 Ų142.871%0.71179%0.792SS**  cis116.8113.525.500000107.1
234Q43.6Very low42.2Very low184 Ų184140.6 Ų140.686%0.8679%0.792SS**  trans-67.9152.8-168.8-61165.1-11.800112.4
235T41.8Very low41.4Very low128 Ų128139.2 Ų139.279%0.78580%0.796SS**  trans132.8123.3136.663.50000118.8
236K40.5Very low40.8Very low201 Ų201142.1 Ų142.187%0.87481%0.806SS**  trans53.9111.2138.6-67.1179.2177.7173.20122.3
237R39Very low40.1Very low242 Ų242134 Ų13491%0.91380%0.795SS**  trans-18139.5146.5-54.4171.3179.2163.1-1.5116.8
238K42.1Very low39.8Very low205 Ų205134.1 Ų134.189%0.89180%0.796SS**  -173.2135.3120-107.2175-178.5-174.20115.7
239A39.8Very low39.5Very low98 Ų98141.2 Ų141.281%0.8181%0.806SS**  trans63.4122.8143.600000122.6
240L40.3Very low39.2Very low159 Ų159145 Ų14583%0.83281%0.807SS**  trans-85.7161.6156.2-168.276.9000109.8
241P42.1Very low39Very low125 Ų125148.1 Ų148.181%0.81282%0.815SS**  trans-136.5155.9133.835.3-22.8000114.9
242S33.7Very low38.9Very low94 Ų94149.3 Ų149.366%0.65781%0.813SS**  trans-96.5145.9-175.653.60000114
243I42.8Very low38.7Very low177 Ų177151.9 Ų151.991%0.90882%0.818SS**  trans-135.3145.3153.7-60.2-176.2000108.6
244T42.3Very low38.6Very low121 Ų121157 Ų15774%0.74282%0.823SS**  trans-109.2-162.6-160.159.30000112.2
245P42.7Very low38.1Very low120 Ų120156.1 Ų156.178%0.77982%0.824SS**  -128.9150.1-107.436.1-16.3000115.9
246S35.7Very low37.9Very low126 Ų126157.8 Ų157.888%0.88182%0.82SS**  trans-165.7142.4155.3-164.10000113.1
247G33.2Very low37.7Very low62 Ų62155.6 Ų155.664%0.63982%0.817SS**  trans89.3105.4152.800000118.9
248S37Very low37.5Very low118 Ų118149.8 Ų149.883%0.82580%0.804SS**  trans79114.3150.175.10000121.3
249R35.5Very low37.4Very low230 Ų230148 Ų14887%0.86880%0.804SS**  trans66.279.8134-158.6177.8-66.5172.50.3118.3
250F29.6Very low37Very low201 Ų201154.1 Ų154.188%0.88281%0.806SS**  trans-68.2126.5148.7-79.3-94.3000110.6
251Q38.9Very low36.9Very low174 Ų174156.5 Ų156.581%0.81381%0.809SS**  trans-138131.7145.1-80.7-167.5-17.600107.9K253Q251-K253 PolarHBondContact O-N 2.9Å
252N35.2Very low36.2Very low152 Ų152154.2 Ų154.281%0.81381%0.809SS**  trans-63.5120.6-178.8-67.8-41.7000109.8E254N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.11Å
253K37.8Very low36.1Very low203 Ų203158.9 Ų158.988%0.88382%0.818SS**  trans-8183167.1-74.4-174.7178.41790108.9Q251 L255Q251-K253 PolarHBondContact O-N 2.9Å; K253-L255 PolarHBondContact O-N 3.47Å
254E37.1Very low35.5Very low176 Ų176159.7 Ų159.782%0.82282%0.817SS**  trans-52.3129.4164.1-165.2173.1-169.900109.4N252 K256N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.11Å; E254-K256 PolarHBondContact O-N 3.45Å
255L33.9Very low35Very low167 Ų167160.7 Ų160.787%0.87482%0.817SS**  trans-76.275.4-176.6-79.5166.9000110.6K253 L257K253-L255 PolarHBondContact O-N 3.47Å; L255-L257 PolarHBondContact O-N 2.96Å; L255-L257 VanDerWaalsContact O-N 3.08Å
256K37Very low34.4Very low163 Ų163162.5 Ų162.571%0.70982%0.815SS**  trans-7298.9175.3-171.3172.9-178.5175.40110.7E254 D258E254-K256 PolarHBondContact O-N 3.45Å; K256-D258 VanDerWaalsContact C-N 3.34Å; K256-D258 WeakPolarHBondContact CE-OD1 3.43Å; K256-D258 PolarHBondContact O-N 2.9Å
257L37.1Very low34.1Very low154 Ų154168.1 Ų168.181%0.80682%0.817SS**  trans-72.186.8168-85157.5000109.9L255 L259L255-L257 PolarHBondContact O-N 2.96Å; L255-L257 VanDerWaalsContact O-N 3.08Å; L257-L259 PolarHBondContact O-N 2.96Å
258D34.1Very low33.9Very low121 Ų121171.2 Ų171.265%0.64782%0.819SS**  trans-67.391.2171.5-91.3-29.3000110.8K256 R260K256-D258 VanDerWaalsContact C-N 3.34Å; K256-D258 WeakPolarHBondContact CE-OD1 3.43Å; K256-D258 PolarHBondContact O-N 2.9Å; D258-R260 PolarHBondContact O-N 3.05Å
259L40.2Very low33.5Very low168 Ų168170.3 Ų170.388%0.8881%0.812SS**  trans-74.665167.7-112.472.7000111L257L257-L259 PolarHBondContact O-N 2.96Å
260R31.8Very low33.3Very low226 Ų226166.4 Ų166.485%0.85381%0.814SS**  trans-124.669.8175.1-119.1-171-173.8-163.54.4111.8D258D258-R260 PolarHBondContact O-N 3.05Å
261K38.3Very low33.4Very low208 Ų208164.2 Ų164.290%0.90481%0.806SS**SBendtrans-161.5125.9154.7-102.6146-173178.90108.3
262G27Very low33.1Very low77 Ų77161.6 Ų161.679%0.79480%0.804SS**  trans-82.1161.6-167.600000114
263F31.9Very low32.8Very low193 Ų193162.7 Ų162.785%0.84681%0.809SS**  trans-113.4117153.2-106.9-99.1000107.9I265F263-I265 HydrophobicContact CD1-CG1 4.49Å; F263-I265 PolarHBondContact O-N 3.43Å
264Q28.7Very low32.4Very low194 Ų194161.5 Ų161.591%0.90781%0.807SS**  trans-74.7118.4157.8-75.6-149.119.700107.2
265I32.1Very low32Very low141 Ų141161 Ų16172%0.72381%0.809SS**  trans-113.8129.8161.4-62.4177.9000105.2F263 R267F263-I265 HydrophobicContact CD1-CG1 4.49Å; F263-I265 PolarHBondContact O-N 3.43Å; I265-R267 PolarHBondContact O-N 2.95Å
266E30.1Very low31.9Very low159 Ų159158.2 Ų158.274%0.74380%0.798SS**  trans-60.4134.5-171.5-73.4-151.6145.500112.4N268E266-N268 PolarHBondContact O-N 2.99Å; E266-N268 PolarHBondContact OE2-ND2 3.43Å
267R29.6Very low31.6Very low244 Ų244158.5 Ų158.592%0.92180%0.802SS**  trans-82.792.5168.2-62.7-175.6-174.5105-3.8109I265I265-R267 PolarHBondContact O-N 2.95Å
268N28.4Very low31.5Very low127 Ų127157.2 Ų157.268%0.67980%0.801SS**  trans-136.3134.7169.6-82.7-47.1000110.1E266E266-N268 PolarHBondContact O-N 2.99Å; E266-N268 PolarHBondContact OE2-ND2 3.43Å
269S29.4Very low31.2Very low99 Ų99155.8 Ų155.869%0.69280%0.801SS**  trans68.488.3179.6-155.50000117.2
270V32Very low30.7Very low148 Ų148155.1 Ų155.190%0.89780%0.798SS**  trans-94.596.6152.4178.70000107.4
271Q31.6Very low30.8Very low154 Ų154152.1 Ų152.172%0.7280%0.798SS**  trans-84.6139.7160.3-67.8-176.54.600108.4L273Q271-L273 PolarHBondContact O-N 2.79Å
272P31.3Very low30.5Very low119 Ų119150.5 Ų150.577%0.77380%0.798SS**  trans-64.3126.817127.9-32.5000108.6Q274P272-Q274 PolarHBondContact O-N 2.82Å
273L29.7Very low30.5Very low175 Ų175150 Ų15092%0.91679%0.793SS**  trans-59.8109.2177.1-72170.2000109.5Q271 L275Q271-L273 PolarHBondContact O-N 2.79Å; L273-L275 PolarHBondContact O-N 3.06Å
274Q28.9Very low30.4Very low179 Ų179146.1 Ų146.184%0.83679%0.79SS**  trans-62.5118.1157-81.2-179.9-109.400107.2P272 V276P272-Q274 PolarHBondContact O-N 2.82Å; Q274-V276 VanDerWaalsContact C-N 3.29Å; Q274-V276 PolarHBondContact O-N 2.91Å
275L29.1Very low30.5Very low164 Ų164145.8 Ų145.886%0.85979%0.788SS**  trans-69.891.1170.4-166.477.4000108L273 Q277L273-L275 PolarHBondContact O-N 3.06Å; L275-Q277 PolarHBondContact O-N 3.37Å
276V31.5Very low30.5Very low109 Ų109148.6 Ų148.666%0.66180%0.795SS**  trans-66.7112.9172.8178.30000107.6Q274 T278Q274-V276 VanDerWaalsContact C-N 3.29Å; Q274-V276 PolarHBondContact O-N 2.91Å; V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 HydrophobicContact CG1-CG2 4.04Å; V276-T278 PolarHBondContact O-N 3.14Å
277Q30.6Very low30.4Very low169 Ų169152.6 Ų152.679%0.7980%0.803SS**  trans-71.690.5171.4-70.7177.6-78.800109.3L275 S279L275-Q277 PolarHBondContact O-N 3.37Å; Q277-S279 PolarHBondContact O-N 2.9Å
278T34.4Very low30.3Very low128 Ų128146 Ų14679%0.78579%0.792SS**  trans-80.668.9163.957.40000109.4V276V276-T278 VanDerWaalsContact C-N 3.35Å; V276-T278 HydrophobicContact CG1-CG2 4.04Å; V276-T278 PolarHBondContact O-N 3.14Å
279S29.3Very low30.4Very low91 Ų91149.7 Ų149.764%0.63680%0.802SS**  trans-97.57916755.50000109.1Q277Q277-S279 PolarHBondContact O-N 2.9Å
280D29Very low30.4Very low153 Ų153154.2 Ų154.282%0.81881%0.81SS**  trans-161.7149.9158.6-93.3-37.8000109.6
281L33.4Very low30.4Very low164 Ų164153.4 Ų153.486%0.85980%0.801SS**  trans85.7132.1-177.2-53.8167.3000117.7
282L31.8Very low30.4Very low173 Ų173154.2 Ų154.291%0.90681%0.808SS**  trans62.998.1176.9-8861.8000116.4
283G28.3Very low30.4Very low67 Ų67158.5 Ų158.569%0.69181%0.809SS**  cis9975.648.400000111.2
284S28.8Very low30.4Very low111 Ų111157.4 Ų157.478%0.77680%0.804SS**  trans24.4102.1151.858.60000119.5
285H32.4Very low30.4Very low187 Ų187158 Ų15887%0.86681%0.812SS**  trans-147135.7140.9-107.9-82.4000112.9
286K30.9Very low30.3Very low201 Ų201155.4 Ų155.487%0.87481%0.807SS**  trans-36122.4-173.6-59.4168.7-179.6175.70115.5
287R28.3Very low30.2Very low242 Ų242154.5 Ų154.591%0.91381%0.811SS**PPolyproline II helixtrans-101.7139.4157.4-77.1-170.7178.9-128.72110.6
288P28.2Very low30.2Very low107 Ų107156.5 Ų156.570%0.69582%0.817SS**PPolyproline II helixtrans-76.1151.5178.231.9-34.5000111.7
289K30.3Very low30.1Very low204 Ų204158.6 Ų158.689%0.88782%0.822SS**PPolyproline II helixtrans-67132.7169.8-65.5178.9177.2-178.50109.4
290F29.7Very low30.3Very low194 Ų194157.4 Ų157.485%0.85182%0.824SS**  trans-107.1104.8164.8-109.3-87.8000108.7
291D31Very low30.3Very low131 Ų131157.9 Ų157.970%0.70183%0.827SS**  trans-74123.4168.3-97.9-55.9000109.3R293D291-R293 PolarHBondContact O-N 3.46Å
292I32.5Very low30.3Very low170 Ų170156.9 Ų156.987%0.87283%0.828SS**SBendtrans-84.566.9172.5-51.5-178.7000108.7
293R30.9Very low30.3Very low210 Ų210154.4 Ų154.479%0.79283%0.825SS**  trans-145.2116.5165.7-62-173.4-165.7171.26.6108.5D291D291-R293 PolarHBondContact O-N 3.46Å
294N28.7Very low30.7Very low152 Ų152156.9 Ų156.981%0.81383%0.832SS**  trans100.180.4-175.7-60.2-50.2000116.3
295L29.9Very low30.7Very low192 Ų192155.8 Ų155.8100%1.00584%0.837SS**  trans-127.765.4144.1-76.9177.5000109.4
296S26.8Very low30.8Very low109 Ų109151.4 Ų151.476%0.76283%0.834SS**  trans-118.9150.7158.3-176.90000108.1
297A29.5Very low30.8Very low90 Ų90149.1 Ų149.174%0.74483%0.831SS**  trans64.883.1175.700000118.4
298K30.6Very low31Very low210 Ų210144.5 Ų144.591%0.91382%0.823SS**  trans-163.474.7134.6-148.287.3173.3-166.60113.9
299I33Very low31Very low172 Ų172145.3 Ų145.388%0.88283%0.826SS**  trans-121.6104.1156-61.2-178.6000106.9
300G33.1Very low30.9Very low67 Ų67142.4 Ų142.469%0.69182%0.82SS**  trans-97.7139.4172.700000109.8T302G300-T302 PolarHBondContact O-N 3.47Å
301N27.9Very low30.9Very low162 Ų162141.5 Ų141.587%0.86682%0.819SS**  trans-58.1130.3-173.8-55.7-23.4000113.6
302T35Very low30.8Very low144 Ų144142.2 Ų142.288%0.88382%0.821SS**  trans-140.3119.2144.4510000109.7G300G300-T302 PolarHBondContact O-N 3.47Å
303S30.8Very low30.6Very low120 Ų120139.5 Ų139.584%0.83982%0.817SS**  trans-89.8130.1-177.751.90000112.8
304S37.7Very low30.5Very low120 Ų120136.7 Ų136.784%0.83982%0.818SS**  trans-163.6118.3145.558.60000109.2
305G27.8Very low30.4Very low87 Ų87137 Ų13790%0.89782%0.818SS**  trans-79.6146.4-177.800000113.4
306A34.2Very low30.2Very low95 Ų95131.4 Ų131.479%0.78581%0.806SS**  trans-146.3119.7156.100000107.7I308A306-I308 PolarHBondContact O-N 2.92Å
307N30.5Very low30.3Very low154 Ų154131.8 Ų131.882%0.82481%0.809SS**  trans-69.5122.9178.3-86.1-35.4000110.6
308I33.1Very low30.2Very low144 Ų144133.3 Ų133.374%0.73881%0.809SS**  trans-138.282.1155.2-55.4-178.6000106.8A306 D310A306-I308 PolarHBondContact O-N 2.92Å; I308-D310 PolarHBondContact O-N 3.5Å
309T28.8Very low30.2Very low124 Ų124129.6 Ų129.676%0.76180%0.803SS**  trans-10066.5178.2-43.50000109.5
310D28.3Very low30.1Very low144 Ų144129.2 Ų129.277%0.7780%0.798SS**SBendtrans-160.364171.9-101-28000108.9I308I308-D310 PolarHBondContact O-N 3.5Å
311Q29.5Very low30.1Very low174 Ų174133.4 Ų133.481%0.81380%0.802SS**  trans17859.1170.2-105.5155.2101.500112.4
312I27.8Very low30.4Very low146 Ų146129.2 Ų129.275%0.74978%0.78SS**  trans-13572.1164.9-48.6179.7000110.1I315I312-I315 HydrophobicContact CG2-CD1 4.02Å; I312-I315 HydrophobicContact CG2-CG1 4.08Å
313S28.6Very low30.3Very low113 Ų113125.8 Ų125.879%0.7976%0.76SS**  trans-109.241.1163.3620000110.7
314D28.6Very low30.9Very low151 Ų151126.4 Ų126.481%0.80776%0.764SS**  trans-141.559.6-176.9-88.6-44.8000111.6
315I27.5Very low31.2Very low159 Ų159124.7 Ų124.782%0.81575%0.746SS**  trans-132.867164.2-49.4179.8000108I312I312-I315 HydrophobicContact CG2-CD1 4.02Å; I312-I315 HydrophobicContact CG2-CG1 4.08Å
316G25.6Very low31.9Very low74 Ų74123.2 Ų123.276%0.76372%0.717SS**  trans-134.426.1-167.200000116
317S28.6Very low32.3Very low117 Ų117125.2 Ų125.282%0.81871%0.71SS**  trans-147.870.3179.5-71.20000113.4
318V27Very low32.8Very low122 Ų122122.5 Ų122.574%0.73970%0.695SS**  trans-13375.1160.9-172.60000108.9H320V318-H320 PolarHBondContact O-N 3.36Å
319V30.3Very low33.4Very low132 Ų132118 Ų11880%0.868%0.675SS**  trans-86.797.5172.2-179.50000108.3I321V319-I321 PolarHBondContact O-N 3.06Å
320H32.6Very low34.5Very low165 Ų165116 Ų11676%0.76466%0.664SS**  trans-71.3109.3167.3-85.4-81.2000109.4V318 L322V318-H320 PolarHBondContact O-N 3.36Å; H320-L322 PolarHBondContact O-N 3.34Å; H320-L322 VanDerWaalsContact O-N 3.13Å
321I33Very low36Very low154 Ų154113.6 Ų113.679%0.7965%0.654SS**  trans-72.1104174-57.2173.8000108.4V319V319-I321 PolarHBondContact O-N 3.06Å
322L33.3Very low37Very low75 Ų75107.9 Ų107.939%0.39363%0.633SS.*  trans-71.4130.9164.3-87.6154000108.8H320 L326 L328 L343H320-L322 PolarHBondContact O-N 3.34Å; H320-L322 VanDerWaalsContact O-N 3.13Å; L322-L326 HydrophobicContact CD2-CB 3.89Å; L322-L326 HydrophobicContact CD2-CD1 3.83Å; L322-L328 HydrophobicContact CD1-CD1 3.55Å; L322-L328 HydrophobicContact CD1-CG 3.96Å; L322-L343 HydrophobicContact CD2-CD1 4.12Å
323P34Very low38Very low71 Ų71105.7 Ų105.746%0.46162%0.623SS.*  trans-63.8148.8173.928.5-35.1000110.3N325 L326P323-N325 WeakPolarHBondContact CB-OD1 3.42Å; P323-N325 PolarHBondContact O-N 3.32Å; P323-N325 PolarHBondContact O-OD1 3.07Å; P323-L326 HydrophobicContact CG-CD1 3.94Å; P323-L326 PolarHBondContact O-N 3.03Å
324S42.4Very low39.6Very low134 Ų134101.3 Ų101.394%0.93760%0.595SS**THydrogen-bonded Turntrans-66.34-16545.90000116.5
325N43Very low41.1Very low84 Ų84102.8 Ų102.845%0.44960%0.603SS.*THydrogen-bonded Turntrans-102.73173.760.1-32.7000113.7P323 G345 S346P323-N325 WeakPolarHBondContact CB-OD1 3.42Å; P323-N325 PolarHBondContact O-N 3.32Å; P323-N325 PolarHBondContact O-OD1 3.07Å; N325-G345 VanDerWaalsContact O-CA 3.31Å; N325-G345 WeakPolarHBondContact O-CA 3.27Å; N325-S346 PolarHBondContact O-N 2.86Å
326L42.5Very low43.2Very low56 Ų5699.9 Ų99.929%0.29359%0.589SS.*EExtended strand (participates in β ladder)trans-118.7124.7176.9-68.2170.1000111.3L322 P323 L343 T344L322-L326 HydrophobicContact CD2-CB 3.89Å; L322-L326 HydrophobicContact CD2-CD1 3.83Å; P323-L326 HydrophobicContact CG-CD1 3.94Å; P323-L326 PolarHBondContact O-N 3.03Å; L326-L343 HydrophobicContact CD1-CD2 4.17Å; L326-L343 HydrophobicContact CD2-CD2 3.99Å; L326-L343 HydrophobicContact CD2-CG 4.17Å; L326-T344 WeakPolarHBondContact CA-O 3.45Å
327Q44.3Very low44.6Very low136 Ų13699 Ų9964%0.63658%0.579SS**EExtended strand (participates in β ladder)trans-110.4138.1172.1-71.7-172.2-16.400111.2T344Q327-T344 PolarHBondContact N-O 3.16Å; Q327-T344 PolarHBondContact O-N 3.16Å; Q327-T344 PolarHBondContact O-OG1 3.14Å
328L40Very low45.5Very low97 Ų9799.9 Ų99.951%0.50857%0.568SS.*EExtended strand (participates in β ladder)trans-92112.9168-81.2166000108.8L322 Y341 S342 L343L322-L328 HydrophobicContact CD1-CD1 3.55Å; L322-L328 HydrophobicContact CD1-CG 3.96Å; L328-Y341 HydrophobicContact CB-CD1 4.39Å; L328-S342 WeakPolarHBondContact CA-O 3.27Å; L328-L343 HydrophobicContact CD2-CD1 3.54Å; L328-L343 HydrophobicContact CG-CD1 3.89Å
329T45.9Very low46.5Very low51 Ų51100.7 Ų100.731%0.31356%0.559SS.*EExtended strand (participates in β ladder)trans-109.5128.9175.149.50000110.7V331 Y341 S342T329-V331 PolarHBondContact O-N 3.36Å; T329-Y341 CarbonylContact O-C 3.57Å; T329-Y341 WeakPolarHBondContact O-CA 3.4Å; T329-S342 PolarHBondContact N-O 3.35Å; T329-S342 PolarHBondContact O-N 3.18Å; T329-S342 PolarHBondContact O-OG 3.44Å; T329-S342 PolarHBondContact OG1-OG 3.44Å
330P51.4Low47.4Very low82 Ų8299 Ų9953%0.53255%0.545SS..EExtended strand (participates in β ladder)trans-68.3129.1174.828-32.9000110.4Y339 Y341P330-Y339 HydrophobicContact CB-CD1 4.14Å; P330-Y341 HydrophobicContact CB-CD1 4.06Å; P330-Y341 HydrophobicContact CB-CE1 3.95Å
331V61.2Low48.2Very low92 Ų9297.3 Ų97.356%0.55853%0.533SS*.EExtended strand (participates in β ladder)trans-101.4-41-175-178.60000111.6T329 I340 S342T329-V331 PolarHBondContact O-N 3.36Å; V331-I340 PolarHBondContact N-O 2.91Å; V331-S342 VanDerWaalsContact CG2-CB 3.48Å; V331-S342 WeakPolarHBondContact CG2-OG 3.47Å
332S49.4Very low48.6Very low55 Ų5591.9 Ų91.939%0.38551%0.508SS..EExtended strand (participates in β ladder)trans-161.7155.4-179.655.10000111.8I340S332-I340 PolarHBondContact O-N 3.14Å
333L48.5Very low48.9Very low100 Ų10093.1 Ų93.152%0.52452%0.515SS..EExtended strand (participates in β ladder)trans-91.9125.3168.9-172.370.5000108.6Y339L333-Y339 HydrophobicContact CD1-CD1 4.08Å; L333-Y339 HydrophobicContact CD1-CD2 4.04Å; L333-Y339 HydrophobicContact CD1-CE1 3.97Å; L333-Y339 HydrophobicContact CD1-CE2 3.93Å; L333-Y339 HydrophobicContact CD1-CG 4.12Å
334G63.5Low49.3Very low20 Ų2092.8 Ų92.821%0.20651%0.511CS..  trans-75.5157.7172.700000112.3D336 G337 K338G334-D336 PolarHBondContact O-N 3.31Å; G334-G337 PolarHBondContact O-N 2.9Å; G334-K338 PolarHBondContact N-O 3.01Å
335N59.5Low49.1Very low182 Ų18289 Ų8997%0.97349%0.494SS*.THydrogen-bonded Turntrans-63.5-11179.3-67.7-1.2000113.8
336D70.6Confident48.8Very low99 Ų9989.2 Ų89.253%0.52950%0.502SS..THydrogen-bonded Turntrans-93.28.3174.270.7-27.5000113.3G334 K338G334-D336 PolarHBondContact O-N 3.31Å; D336-K338 VanDerWaalsContact C-N 3.32Å; D336-K338 PolarHBondContact O-N 2.82Å; D336-K338 PolarHBondContact OD1-N 3.45Å; D336-K338 WeakPolarHBondContact OD2-CD 3.45Å; D336-K338 WeakPolarHBondContact OD2-CG 3.37Å; D336-K338 IonicContact OD2-NZ 3.9Å; D336-K338 PolarHBondContact OD2-NZ 3.42Å
337G56.5Low48.3Very low54 Ų5491.1 Ų91.156%0.55752%0.52SS*.SBendtrans78.57.9-179.800000114.9G334G334-G337 PolarHBondContact O-N 2.9Å
338K46.7Very low47.8Very low136 Ų13690.3 Ų90.359%0.59153%0.526SS*.PPolyproline II helixtrans-95.5140.3178.7-60.1-167.4-165.888.70112.2G334 D336G334-K338 PolarHBondContact N-O 3.01Å; D336-K338 VanDerWaalsContact C-N 3.32Å; D336-K338 PolarHBondContact O-N 2.82Å; D336-K338 PolarHBondContact OD1-N 3.45Å; D336-K338 WeakPolarHBondContact OD2-CD 3.45Å; D336-K338 WeakPolarHBondContact OD2-CG 3.37Å; D336-K338 IonicContact OD2-NZ 3.9Å; D336-K338 PolarHBondContact OD2-NZ 3.42Å
339Y47.2Very low47.5Very low140 Ų14094.3 Ų94.355%0.54954%0.543SS..EExtended strand (participates in β ladder)trans-79.4132.2172.4-71.7-85.7000111.2P330 L333 Y341P330-Y339 HydrophobicContact CB-CD1 4.14Å; L333-Y339 HydrophobicContact CD1-CD1 4.08Å; L333-Y339 HydrophobicContact CD1-CD2 4.04Å; L333-Y339 HydrophobicContact CD1-CE1 3.97Å; L333-Y339 HydrophobicContact CD1-CE2 3.93Å; L333-Y339 HydrophobicContact CD1-CG 4.12Å; Y339-Y341 WeakPolarHBondContact O-CD2 3.46Å; Y339-Y341 WeakPolarHBondContact O-CE2 3.31Å
340I49.5Very low46.7Very low97 Ų9797.2 Ų97.250%0.49756%0.564SS.*EExtended strand (participates in β ladder)trans-88.5128.5167.5-56.6-175.7000107.5V331 S332V331-I340 PolarHBondContact N-O 2.91Å; S332-I340 PolarHBondContact O-N 3.14Å
341Y50.7Low45.4Very low128 Ų128101.7 Ų101.750%0.50258%0.583SS.*EExtended strand (participates in β ladder)trans-112.1141.5179.9-61.4-94.1000111.3L328 T329 P330 Y339L328-Y341 HydrophobicContact CB-CD1 4.39Å; T329-Y341 CarbonylContact O-C 3.57Å; T329-Y341 WeakPolarHBondContact O-CA 3.4Å; P330-Y341 HydrophobicContact CB-CD1 4.06Å; P330-Y341 HydrophobicContact CB-CE1 3.95Å; Y339-Y341 WeakPolarHBondContact O-CD2 3.46Å; Y339-Y341 WeakPolarHBondContact O-CE2 3.31Å
342S40Very low44.1Very low40 Ų40102.5 Ų102.528%0.2859%0.588SS.*EExtended strand (participates in β ladder)trans-99.4143.2165510000110.4L328 T329 V331L328-S342 WeakPolarHBondContact CA-O 3.27Å; T329-S342 PolarHBondContact N-O 3.35Å; T329-S342 PolarHBondContact O-N 3.18Å; T329-S342 PolarHBondContact O-OG 3.44Å; T329-S342 PolarHBondContact OG1-OG 3.44Å; V331-S342 VanDerWaalsContact CG2-CB 3.48Å; V331-S342 WeakPolarHBondContact CG2-OG 3.47Å
343L40.9Very low43Very low101 Ų101107.8 Ų107.853%0.52961%0.612SS.*EExtended strand (participates in β ladder)trans-89.5120.3169.2-144.275.6000108L322 L326 L328L322-L343 HydrophobicContact CD2-CD1 4.12Å; L326-L343 HydrophobicContact CD1-CD2 4.17Å; L326-L343 HydrophobicContact CD2-CD2 3.99Å; L326-L343 HydrophobicContact CD2-CG 4.17Å; L328-L343 HydrophobicContact CD2-CD1 3.54Å; L328-L343 HydrophobicContact CG-CD1 3.89Å
344T42.1Very low42Very low64 Ų64108.6 Ų108.639%0.39362%0.621SS.*EExtended strand (participates in β ladder)trans-114.5131.3173.156.20000109.6L326 Q327L326-T344 WeakPolarHBondContact CA-O 3.45Å; Q327-T344 PolarHBondContact N-O 3.16Å; Q327-T344 PolarHBondContact O-N 3.16Å; Q327-T344 PolarHBondContact O-OG1 3.14Å
345G37.2Very low40.3Very low56 Ų56116.6 Ų116.658%0.57765%0.653SS**EExtended strand (participates in β ladder)trans-109.2123.418000000111.4N325 S347N325-G345 VanDerWaalsContact O-CA 3.31Å; N325-G345 WeakPolarHBondContact O-CA 3.27Å; G345-S347 PolarHBondContact O-N 3.42Å
346S36.6Very low38.7Very low87 Ų87112.9 Ų112.961%0.60864%0.642SS**  trans-88.3100.1174.244.70000110.6N325N325-S346 PolarHBondContact O-N 2.86Å
347S32.6Very low36.7Very low97 Ų97116.1 Ų116.168%0.67866%0.658SS**  trans-81.1130.4167.4-171.90000109.8G345 E349G345-S347 PolarHBondContact O-N 3.42Å; S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 VanDerWaalsContact O-N 3.11Å
348P33.3Very low35.4Very low118 Ų118120.3 Ų120.377%0.76667%0.673SS**  trans-77.492167.531.6-30.4000108.7
349E33.6Very low34.4Very low182 Ų182119.4 Ų119.485%0.8567%0.674SS**  trans-62.1142.4174.7-77-168.7137.500111.6S347S347-E349 PolarHBondContact O-N 3.26Å; S347-E349 VanDerWaalsContact O-N 3.11Å
350C29.2Very low33.7Very low111 Ų111120.7 Ų120.775%0.7568%0.683SS**  trans-82.6133.5-174.8-64.70000111V352C350-V352 HydrophobicContact CB-CG2 4.24Å; C350-V352 PolarHBondContact O-N 3.4Å
351D24.7Very low32.8Very low176 Ų176123.3 Ų123.394%0.94170%0.698SS**  trans-59.597.8163.5-78.6-47.9000110.3
352V34Very low31.7Very low109 Ų109123 Ų12366%0.66171%0.712SS**  trans-122.4110.9166.5-1730000108.8C350 T354C350-V352 HydrophobicContact CB-CG2 4.24Å; C350-V352 PolarHBondContact O-N 3.4Å; V352-T354 PolarHBondContact O-N 3.13Å; V352-T354 VanDerWaalsContact O-N 3.07Å
353N25.4Very low31.1Very low167 Ų167127 Ų12789%0.89373%0.734SS**  trans-60.1108171.1-75.6-53.2000110.8
354T29.4Very low30.4Very low116 Ų116128.8 Ų128.871%0.71274%0.744SS**  trans-134.295.8159.4480000110.6V352V352-T354 PolarHBondContact O-N 3.13Å; V352-T354 VanDerWaalsContact O-N 3.07Å
355Q26.1Very low29.7Very low188 Ų188132.2 Ų132.288%0.87976%0.764SS**  trans-67.2148.4154-91.1146-21.700109.7
356S27.3Very low29.2Very low105 Ų105137.5 Ų137.573%0.73477%0.774SS**  trans71.9115.9-162.180.10000112.3
357L28.3Very low28.7Very low166 Ų166141.2 Ų141.287%0.86979%0.787SS**  -151.7117.255.8-163.373.8000110.9
358V28Very low28.5Very low143 Ų143139.3 Ų139.387%0.86778%0.782SS**  trans-94.6109164.81750000107
359D27.3Very low28.3Very low116 Ų116138.7 Ų138.762%0.6278%0.778SS**  trans-171.7142.8141-121.6-4.3000114.6
360K32.6Very low27.9Very low167 Ų167139.4 Ų139.473%0.72677%0.773SS**  trans7796.8152.3-68.3161.4178.5124.80121.6
361N28.8Very low27.8Very low152 Ų152144 Ų14481%0.81378%0.776SS**  trans73.9132.3136.6-79.9-21.4000121.8
362P28.1Very low27.9Very low123 Ų123143.8 Ų143.880%0.79976%0.764SS**  trans-90.9119175.235.2-30.5000111.9
363V27.6Very low27.5Very low123 Ų123147.5 Ų147.575%0.74578%0.779SS**  trans-135100.7168.2-176.60000110.9
364N25.4Very low27.6Very low138 Ų138144.3 Ų144.374%0.73877%0.769SS**  trans32.892.7137.1-160.924.4000117.9
365V28.2Very low27.5Very low136 Ų136147.5 Ų147.582%0.82477%0.773SS**  trans-129.892.4157.7-176.80000108.7
366Q26.4Very low27.7Very low168 Ų168144.2 Ų144.279%0.78577%0.766SS**  trans-79.8113.8154.3-67-173.14.100107.3
367D27Very low27.7Very low165 Ų165145.8 Ų145.888%0.88277%0.766SS**  trans-178122.1137.7-98.5-26000110.9
368G27.5Very low28.1Very low56 Ų56145.2 Ų145.258%0.57776%0.764SS**  trans-152.2138.5173.300000108.3R370G368-R370 PolarHBondContact O-N 3.46Å; G368-R370 VanDerWaalsContact O-N 3.08Å
369P29.1Very low28.1Very low105 Ų105145.1 Ų145.168%0.68276%0.759SS**  trans-69.9111-158.826.5-34.9000112.5Y371P369-Y371 HydrophobicContact CB-CE2 3.92Å; P369-Y371 HydrophobicContact CG-CE2 4.07Å; P369-Y371 PolarHBondContact O-N 3.42Å
370R26.7Very low28.3Very low197 Ų197148.6 Ų148.674%0.74377%0.768SS**  trans-81.5106.8165.9-71.5-173.5179.61681.3109.8G368 Y372G368-R370 PolarHBondContact O-N 3.46Å; G368-R370 VanDerWaalsContact O-N 3.08Å; R370-Y372 HydrophobicContact CB-CD2 4.05Å; R370-Y372 HydrophobicContact CB-CE2 3.54Å; R370-Y372 WeakPolarHBondContact CD-OH 3.33Å; R370-Y372 HydrophobicContact CG-CE2 4.43Å; R370-Y372 PolarHBondContact NH1-OH 2.94Å; R370-Y372 WeakPolarHBondContact O-CD2 3.26Å; R370-Y372 PolarHBondContact O-N 2.93Å
371Y26.6Very low28.3Very low208 Ų208145.6 Ų145.682%0.81677%0.765SS**  trans-79.3108.3169.2-66-83.9000109.8P369P369-Y371 HydrophobicContact CB-CE2 3.92Å; P369-Y371 HydrophobicContact CG-CE2 4.07Å; P369-Y371 PolarHBondContact O-N 3.42Å
372Y26.5Very low28.4Very low172 Ų172147 Ų14768%0.67577%0.766SS**  trans-92.9121.6173.3-72-89.6000110R370R370-Y372 HydrophobicContact CB-CD2 4.05Å; R370-Y372 HydrophobicContact CB-CE2 3.54Å; R370-Y372 WeakPolarHBondContact CD-OH 3.33Å; R370-Y372 HydrophobicContact CG-CE2 4.43Å; R370-Y372 PolarHBondContact NH1-OH 2.94Å; R370-Y372 WeakPolarHBondContact O-CD2 3.26Å; R370-Y372 PolarHBondContact O-N 2.93Å
373L25.5Very low28.7Very low187 Ų187145.8 Ų145.898%0.97976%0.758SS**  trans-92.695165.3-131.386.4000108.4
374S26.3Very low28.9Very low99 Ų99145.4 Ų145.469%0.69276%0.756SS**  trans-105.4130.1171.9-162.60000109.7
375K27.3Very low29.1Very low183 Ų183144.8 Ų144.880%0.79675%0.753SS**  trans-69.7138.9155.9-79.3-173.9173.3-175.70107.8
376V31Very low29.2Very low119 Ų119144.6 Ų144.672%0.72175%0.747SS**  trans-100.8110.9168.9177.40000105.9
377D27.8Very low29.6Very low138 Ų138144.6 Ų144.674%0.73875%0.747SS**  trans-94111.9169.8-65.7-43.2000107.9
378D36.1Very low29.9Very low154 Ų154144.9 Ų144.982%0.82474%0.743SS**  trans-84123.2171.5-84.9-40.8000110.3
379N29.1Very low30Very low141 Ų141151.3 Ų151.375%0.75476%0.756SS**  trans-67.5152177.9-64.6-80000111.8
380F30.7Very low30.2Very low189 Ų189152.5 Ų152.583%0.82976%0.763SS**  -176.8116.4113.5-110.8-88.6000113.2
381T32.9Very low30.2Very low105 Ų105149.1 Ų149.164%0.64476%0.764SS**  trans50.8103.7147.153.10000123
382H30.6Very low30.4Very low181 Ų181142.9 Ų142.984%0.83876%0.763SS**  43.1154.7101.1-82-53.6000122
383P35.6Very low30.3Very low97 Ų97141.9 Ų141.963%0.6377%0.769SS**  cis-144.7-163.3-47.233.3-10000113.8
384T30.1Very low30.5Very low115 Ų115141.1 Ų141.171%0.70677%0.766SS**  trans115.6123.9142.6610000121.2
385N31Very low30.6Very low126 Ų126142 Ų14267%0.67477%0.766SS**  trans87.5103.8145.9-59.47.8000121.9
386D28.9Very low31.1Very low132 Ų132142.8 Ų142.871%0.70677%0.773SS**  51.2131.3110.1-35.3-34000118.4
387E35.5Very low31.2Very low168 Ų168145 Ų14579%0.78578%0.776SS**  cis-164.1161.249.9-91-160.8143.600115.8
388E32.3Very low31.5Very low171 Ų171145.7 Ų145.780%0.79978%0.779SS**  trans58.9128.1147.3-67.7-164139.900125.5
389F29.8Very low31.3Very low191 Ų191142.2 Ų142.284%0.83878%0.779SS**  trans-92.3168.6155.9-89.6-95.1000110.4
390P34.5Very low31.2Very low129 Ų129141.6 Ų141.684%0.83878%0.781SS**  -142.8169.4106.733.7-17.5000116.4
391V26.1Very low31.2Very low126 Ų126139.1 Ų139.176%0.76478%0.781SS**  trans-89150.9-172172.70000112.8L393V391-L393 HydrophobicContact CG1-CG 4.4Å
392G29.9Very low31.1Very low78 Ų78141.3 Ų141.380%0.80479%0.789SS**  trans-142.7111.8163.300000111.9
393L25.1Very low31.1Very low151 Ų151139 Ų13979%0.79179%0.787SS**  trans-89.8152.9172.6-71.5166.8000110.6V391V391-L393 HydrophobicContact CG1-CG 4.4Å
394N30Very low30.8Very low170 Ų170141.4 Ų141.491%0.90980%0.795SS**  trans-150.6142.7148.2-101.3-16.4000109.9
395V28.2Very low30.6Very low117 Ų117142.6 Ų142.671%0.70980%0.797SS**  trans-125.6137.8-178.5172.80000107.2E397V395-E397 HydrophobicContact CG1-CG 4.43Å
396E37.5Very low30.5Very low200 Ų200142.1 Ų142.194%0.93580%0.804SS**  trans-135.9148.1156-74.1-164151.200109.4
397E34Very low30.4Very low166 Ų166143 Ų14378%0.77681%0.807SS**  trans-104.1170.6-161.2-68178.7122.200114.6V395V395-E397 HydrophobicContact CG1-CG 4.43Å
398D33.1Very low30Very low153 Ų153142.3 Ų142.382%0.81881%0.807SS**  trans78.2125.5151.6-73.8-18.2000122.7
399G31.8Very low29.7Very low80 Ų80141.9 Ų141.983%0.82581%0.805SS**  trans171.346.2177.300000114.5
400V27.4Very low29.4Very low129 Ų129139.2 Ų139.278%0.78280%0.799SS**  trans-76.6131.3-178.6173.80000112.1
401T31.6Very low29Very low137 Ų137140 Ų14084%0.8480%0.797SS**  trans-170.9138131.414.30000114.7
402D31.2Very low29.2Very low151 Ų151144.2 Ų144.281%0.80780%0.799SS**  trans63.8101.3160.7-114.1-11.1000121
403V29.1Very low29Very low131 Ų131146.2 Ų146.279%0.79480%0.798SS**  trans-128.4129.3162.21760000106.8
404N29.5Very low29.2Very low148 Ų148144.6 Ų144.679%0.79180%0.798SS**  trans-162.9138.1155.5-96.6-44.4000113.2
405N27.3Very low28.9Very low141 Ų141142.2 Ų142.275%0.75479%0.794SS**  trans92.966174.1-61.2-8.3000118
406S28.5Very low29Very low116 Ų116147 Ų14781%0.81180%0.799SS**  trans-137.193.9144.1-720000108.3L408S406-L408 PolarHBondContact O-N 2.92Å; S406-L408 VanDerWaalsContact O-N 3.14Å
407I27.2Very low28.5Very low150 Ų150142.4 Ų142.477%0.76979%0.789SS**  trans-75.4102.8177.6-64.5177.5000108E409I407-E409 HydrophobicContact CG2-CG 4.04Å; I407-E409 PolarHBondContact O-N 3.27Å
408L25.6Very low28.4Very low153 Ų153141.6 Ų141.680%0.80179%0.791SS**  trans-82.195.2164.3-69.7165.6000108.2S406 L410S406-L408 PolarHBondContact O-N 2.92Å; S406-L408 VanDerWaalsContact O-N 3.14Å; L408-L410 VanDerWaalsContact C-N 3.35Å; L408-L410 PolarHBondContact O-N 3.26Å
409E25.6Very low28.1Very low162 Ų162140.6 Ų140.676%0.75779%0.79SS**  trans-7789.7165.8-86.5-158.4146.800110.5I407 N411I407-E409 HydrophobicContact CG2-CG 4.04Å; I407-E409 PolarHBondContact O-N 3.27Å; E409-N411 PolarHBondContact O-N 3.36Å
410L24.8Very low28.2Very low136 Ų136142.8 Ų142.871%0.71279%0.79SS**  trans-74.997.8159.9-70.6166.8000109.1L408L408-L410 VanDerWaalsContact C-N 3.35Å; L408-L410 PolarHBondContact O-N 3.26Å
411N26.3Very low28.2Very low146 Ų146146.1 Ų146.178%0.78179%0.79SS**  trans-94.7101.6170.7-104.3-25.1000111.3E409E409-N411 PolarHBondContact O-N 3.36Å
412W28.8Very low28.2Very low214 Ų214145.6 Ų145.681%0.81179%0.79SS**  trans-78147.8171.5-75.879.4000111.4C414W412-C414 PolarHBondContact O-N 3.16Å; W412-C414 VanDerWaalsContact O-N 3.16Å
413P27.1Very low28Very low120 Ų120145 Ų14578%0.77979%0.786SS**  trans-76.7102.9173.931.3-32.3000110.1S415P413-S415 PolarHBondContact O-N 3.07Å
414C28.2Very low28Very low117 Ų117143.7 Ų143.779%0.79178%0.779SS**  trans-92.791.4179.9-150.20000111.2W412 R416W412-C414 PolarHBondContact O-N 3.16Å; W412-C414 VanDerWaalsContact O-N 3.16Å; C414-R416 PolarHBondContact O-N 3.43Å
415S25Very low28Very low119 Ų119143.3 Ų143.383%0.83278%0.776SS**  trans-68.5117.2163.932.60000109.9P413P413-S415 PolarHBondContact O-N 3.07Å
416R28.9Very low28.3Very low218 Ų218142.6 Ų142.682%0.82378%0.782SS**  trans-141.9112.7164.9-131.4174.6-175.3159.11.7110.6C414C414-R416 PolarHBondContact O-N 3.43Å
417S27.3Very low28.7Very low103 Ų103143.1 Ų143.172%0.7278%0.783SS**  trans-54.2142.1156.149.50000110.2
418D32Very low28.9Very low150 Ų150139 Ų13980%0.80278%0.777SS**  trans-167115.4141.1-91-32.1000110.3
419T27.5Very low29.3Very low131 Ų131139.7 Ų139.780%0.80478%0.781SS**  trans-97.2139.5168.648.70000110.2
420P33.2Very low29.5Very low126 Ų126136 Ų13682%0.81877%0.773SS**  trans-109.4144.2154.933.4-25.5000112.7
421Y27.5Very low29.8Very low200 Ų200136.1 Ų136.178%0.78478%0.775SS**  trans-68.2145.1-179-86.3-115.4000114.7L423Y421-L423 HydrophobicContact CD1-CD1 4.47Å; Y421-L423 HydrophobicContact CD1-CG 4.25Å
422C31.8Very low30.2Very low126 Ų126134.4 Ų134.485%0.85177%0.769SS**  trans-149.4114.9134.1-75.70000105.9
423L27.3Very low30.3Very low137 Ų137131.8 Ų131.872%0.71777%0.769SS**  53.2119.159-66.1170000111.3Y421Y421-L423 HydrophobicContact CD1-CD1 4.47Å; Y421-L423 HydrophobicContact CD1-CG 4.25Å
424T27.9Very low30.8Very low105 Ų105131 Ų13164%0.64477%0.765SS**  cis-150.3170.411.659.70000114.8
425D30.3Very low30.8Very low139 Ų139130.4 Ų130.474%0.74376%0.761SS**  trans72.6113147-53.6-34.7000123.2
426S33.9Very low31.1Very low126 Ų126133.2 Ų133.288%0.88176%0.759SS**  trans-136.9130.7142-66.60000109.5
427P36.9Very low31.2Very low127 Ų127128.7 Ų128.783%0.82575%0.75SS**  trans-120.4152.1143.334.9-25.2000108.8
428G30.3Very low31.4Very low63 Ų63130.8 Ų130.865%0.64975%0.754SS**  cis132.7164.129.700000107.7
429L34.3Very low31.4Very low168 Ų168126.9 Ų126.988%0.8875%0.748SS**  trans77.9109.6-174.6-52.8159.7000113
430S29.6Very low31.8Very low85 Ų85126.9 Ų126.959%0.59475%0.748SS**  69.7126.166.783.60000111.2
431D32.4Very low31.9Very low138 Ų138126.4 Ų126.474%0.73874%0.743SS**  -174.3157.961-100.3-55000114.6
432V34.4Very low32.3Very low110 Ų110123.6 Ų123.667%0.66774%0.741SS**  trans67.695.9142.8176.80000121.1
433I29.8Very low32.6Very low159 Ų159125.3 Ų125.382%0.81574%0.737SS**  63.3150104.2-80.3169.2000121
434P37.5Very low33.2Very low105 Ų105124 Ų12468%0.68274%0.739SS**  trans-129.2-161.1-143.541.4-23.5000115
435S29.1Very low33.5Very low103 Ų103125.4 Ų125.472%0.7274%0.741SS**  trans102.7147.3153.3-39.40000118.2
436K30.7Very low33.5Very low179 Ų179123.4 Ų123.478%0.77874%0.737SS**  trans107111.3145.6-75.2-170.8158.2-170.40120.6
437L31.9Very low33.5Very low123 Ų123123.5 Ų123.564%0.64473%0.728SS**  91.8125.2120-68.9170.6000121.2
438D30.8Very low33.2Very low147 Ų147124.8 Ų124.879%0.78673%0.727SS**  trans73.5125.5134.5-57-18000122.5
439G31.7Very low33.3Very low67 Ų67130 Ų13069%0.69174%0.739SS**  trans163.397.8132.200000118.7
440V37.4Very low33.2Very low132 Ų132128.6 Ų128.680%0.873%0.732SS**  trans76.589.5138.1-169.70000119.5
441T35.5Very low33.2Very low116 Ų116131.8 Ų131.871%0.71274%0.742SS**  21.1153.8110.5640000119.6
442D34.6Very low33Very low140 Ų140128.6 Ų128.675%0.74974%0.742SS**  cis-164-178.19.4-138.7-37.6000113
443E39.3Very low33Very low163 Ų163131.5 Ų131.576%0.76275%0.754SS**  trans92.2115.4139.7-91.3178.9-161.500123
444S39.6Very low32.9Very low109 Ų109129 Ų12976%0.76275%0.75SS**  108.8128.2128.3-159.50000118.3
445I33.6Very low32.7Very low135 Ų135133.7 Ų133.769%0.69276%0.763SS**  cis176.2128.2-34.5-101.4164.3000106.1
446C30.5Very low32.6Very low96 Ų96134.9 Ų134.965%0.64977%0.766SS**  trans61130.4146.2-71.30000125.4
447D32.9Very low32.7Very low129 Ų129136.1 Ų136.169%0.6978%0.775SS**  87.6105.7123.2-61.2-9.1000122.5
448L31.1Very low32.5Very low154 Ų154138.8 Ų138.881%0.80678%0.784SS**  34.9120.5110.6-63.1165.9000117.4
449L33.4Very low32.7Very low172 Ų172140.9 Ų140.990%0.90179%0.789SS**  -163164.8120-107164.7000112.9
450L31.8Very low32.8Very low139 Ų139144 Ų14473%0.72879%0.794SS**  trans-99.4166.2-165.7-70.5152.4000112.8
451N28.8Very low32.6Very low151 Ų151141 Ų14181%0.80779%0.79SS**  trans71.3119.5151.5-59.2-26.7000119.5
452G29.2Very low32.5Very low72 Ų72142.1 Ų142.174%0.74279%0.792SS**  trans37.5132.113400000121.6
453D33.4Very low32.4Very low171 Ų171143.1 Ų143.191%0.91480%0.797SS**  -152.6160.4110.5-118.5-30.6000113.3
454S28Very low32.2Very low106 Ų106144.3 Ų144.374%0.74180%0.803SS**  trans-98.6139.4-179.5-56.10000111
455Q33Very low31.9Very low203 Ų203144.3 Ų144.395%0.94980%0.8SS**  trans-136.4130.5150.7-78.3-153.6-41.500113.1
456T27.6Very low31.8Very low129 Ų129147.9 Ų147.979%0.79181%0.811SS**  trans-88.2137.7173.346.40000110.7
457E33.4Very low31.7Very low205 Ų205147.5 Ų147.596%0.95881%0.81SS**  trans-137.1151150.9-74-159.3130.300110.7
458Q27.8Very low31.6Very low178 Ų178149.7 Ų149.783%0.83282%0.816SS**  trans-148104.2-154.7178.1-171.529.200111.2
459E34Very low31.6Very low191 Ų191147.1 Ų147.189%0.89381%0.811SS**  trans-141.7114.8158.9-71.8-161.3130.900107.5
460V33.7Very low31.4Very low133 Ų133145 Ų14581%0.80681%0.805SS**  68.1112.566-179.70000112.1
461G33.5Very low31.4Very low69 Ų69145.7 Ų145.771%0.71181%0.809SS**  trans156.463.3171.100000119.4
462N32.6Very low31.4Very low139 Ų139142.3 Ų142.374%0.74380%0.797SS**  trans25.3120.3140.7-55.8-15.9000120.8
463N34.2Very low31.7Very low161 Ų161147.4 Ų147.486%0.86180%0.799SS**  169160.399.9-87.4-45.5000115.4
464Q33.4Very low31.7Very low188 Ų188148.8 Ų148.888%0.87979%0.792SS**  trans-81.7169.7-169.1-99.6175.8-96.500116.1
465P34.2Very low32Very low110 Ų110153.2 Ų153.271%0.71480%0.798SS**  trans-89.7168.7-168.937.5-37.7000114.7
466F30.6Very low32.1Very low209 Ų209152.4 Ų152.492%0.91779%0.791SS**  trans-134.7158.6168-111.2-87.9000112.6
467S28.8Very low32.2Very low89 Ų89153.3 Ų153.362%0.62279%0.787SS**  trans-104.3173.8-167.352.10000114.7
468E30.1Very low32.5Very low174 Ų174149.4 Ų149.481%0.81378%0.779SS**  trans82.5128.2148.8-79.9177.713500123.4
469S32Very low32.6Very low101 Ų101147.8 Ų147.871%0.70678%0.775SS**  trans95.8102.9132.873.70000121.6
470T30.2Very low32.6Very low127 Ų127148.7 Ų148.778%0.77977%0.77SS**  55.9111.7118.4-37.70000120.8
471L31Very low32.6Very low154 Ų154149.2 Ų149.281%0.80676%0.762SS**  -167.2125.5120.9-130.377.1000115.9
472S29.3Very low32.8Very low79 Ų79152.3 Ų152.355%0.55276%0.758SS**  trans19.6145.1143.669.10000123.5
473K35.9Very low33Very low180 Ų180153.4 Ų153.478%0.78376%0.758SS**  -179.8127.799.4-92175.3-178.2170.30114.5
474Y32.9Very low33Very low199 Ų199154 Ų15478%0.7875%0.753SS**  trans27126.7147.5-60.6-85.5000120.9
475K33.4Very low33Very low199 Ų199151.8 Ų151.887%0.86575%0.745SS**  171.6164.975.6-107.4139.2-178.3-1770108
476K35Very low32.9Very low186 Ų186154 Ų15481%0.80975%0.746SS**  cis-167.5151.2-10.9-167.2-156170.6-175.60108.6
477E30.8Very low33.1Very low149 Ų149151.8 Ų151.870%0.69674%0.744SS**  trans-107.6175.1165.4-78.9-160.9157.800113.3
478P38.9Very low33Very low123 Ų123157.3 Ų157.380%0.79975%0.751SS**  -146.3156.9110.237.8-21.7000118.9
479I31Very low33.3Very low144 Ų144154.9 Ų154.974%0.73875%0.75SS**  trans-77.9149.2-176.3-63.5146.7000115.7
480R33Very low33.2Very low209 Ų209159.3 Ų159.379%0.78975%0.752SS**  trans-167.6112.9139.7-123.3175.5157.9106.6-9.5117.4
481K34.4Very low33Very low145 Ų145157.8 Ų157.863%0.6375%0.745SS**  trans60.6150.2135.1-64.6-176.5-174.7-163.90120.1
482Q36.6Very low33.1Very low134 Ų134158.4 Ų158.463%0.62675%0.748SS**  cis-166.4152.81.2-122.7172.3-34.700112.1
483H36.3Very low32.9Very low161 Ų161158.7 Ų158.775%0.74575%0.754SS**  trans58.9153.7147.9-69.3-38000120.7
484K34.3Very low32.9Very low175 Ų175154.9 Ų154.976%0.76175%0.748SS**  cis-170.8141.9-14.1175.3-153.2-179.5-172.60108.2
485I34.2Very low32.7Very low140 Ų140154.7 Ų154.772%0.71875%0.751SS**  trans156.8162.2134.6-77.6175.3000110
486Q32.9Very low32.6Very low158 Ų158149 Ų14974%0.73874%0.742SS**  trans-91.7164-179.2-58.9129.9-40.300111.3
487N34Very low32.5Very low161 Ų161149 Ų14986%0.86174%0.744SS**  -158.7160.259.5-95.7-35.6000114.6
488R26.9Very low32.6Very low206 Ų206147.2 Ų147.278%0.77775%0.749SS**  trans-116.4-179174.8-125.7-169.2-174.1-176.74.3108
489P35.8Very low32.1Very low123 Ų123148.7 Ų148.780%0.79975%0.75SS**  cis-125.9-122.936.436.2-15.1000116.3
490R30.8Very low32.3Very low194 Ų194146.3 Ų146.373%0.73274%0.744SS**  trans-177.2151.5-135.9-167.8-147.9178.1-163.9-1.1113
491C26.7Very low32.1Very low95 Ų95143.9 Ų143.964%0.64274%0.741SS**  trans73.9157.4166.5-61.80000116
492I31.1Very low31.8Very low167 Ų167145.8 Ų145.886%0.85675%0.75SS**  cis-145.9161.634.4-68.4168.5000111.6
493A26.3Very low31.5Very low84 Ų84145.4 Ų145.469%0.69476%0.756SS**  trans-135.8-166167.700000108
494P35.6Very low30.9Very low100 Ų100143 Ų14365%0.64976%0.758SS**  cis-138-155.2-13.230.8-4.9000113.9
495F29.5Very low30.8Very low195 Ų195140.9 Ų140.986%0.85576%0.76SS**  trans77.9148.3170.2-60.3-84.8000118.4
496A31.2Very low30.5Very low80 Ų80139.6 Ų139.666%0.66176%0.758SS**  cis-172.2170.3-25.500000111.7
497E31.5Very low30.3Very low185 Ų185139 Ų13986%0.86476%0.759SS**  trans96.4137.4141.5-149.4153.2-13500122.5
498S34Very low29.9Very low112 Ų112138.4 Ų138.478%0.78375%0.752SS**  trans74.1103158.250.30000124
499D27.2Very low30Very low155 Ų155135 Ų13583%0.82975%0.749SS**  trans-46.5-178.2139.4-104.4-33.2000116.2
500P36.1Very low29.8Very low94 Ų94136.3 Ų136.361%0.6175%0.748SS**  cis-147.8-170.7-17.737.8-15.8000117.2
501Q28.7Very low29.7Very low157 Ų157134.9 Ų134.973%0.73476%0.755SS**  trans82.8147.1150.2-67.8-176.64.200123.7
502F28.4Very low30Very low185 Ų185135.6 Ų135.681%0.81176%0.76SS**  trans67.6147.2161.7-73.9-69000117.4
503V30.9Very low29.9Very low126 Ų126135.4 Ų135.476%0.76476%0.76SS**  cis-141.5160.18.7-169.90000109.6
504S23.8Very low30.3Very low111 Ų111136.7 Ų136.778%0.77676%0.762SS**  trans-98.8129.7166.71760000111.8
505T31.9Very low29.9Very low131 Ų131141.4 Ų141.480%0.80477%0.767SS**  trans-154.5145160.5-54.30000112.5
506T28.4Very low29.8Very low112 Ų112139.9 Ų139.969%0.68776%0.762SS**  trans-83.3159.7-17834.10000116.3
507L27.5Very low29.8Very low145 Ų145145.2 Ų145.276%0.75977%0.771SS**  trans71137.8142.2-86.8158000121.5
508Q26.6Very low29.7Very low150 Ų150146.3 Ų146.370%0.70177%0.768SS**  trans94.5132.3139.8-92.4163.2-3100121.4
509D27.5Very low29.4Very low134 Ų134149.6 Ų149.672%0.71777%0.771SS**  trans65119.2153.1-48.2-25.4000119.5
510I31.8Very low29.5Very low150 Ų150150 Ų15077%0.76977%0.773SS**  178.6125.298.8-85.4154.8000109.2
511D28.2Very low29.1Very low165 Ų165150.5 Ų150.588%0.88278%0.779SS**  trans-67.9131.6166-77.5-57.7000110.9
512S34.9Very low29Very low109 Ų109146.7 Ų146.776%0.76278%0.782SS**  trans-15792.7162.5-78.10000111.8
513L28.7Very low29Very low163 Ų163147.2 Ų147.285%0.85378%0.784SS**  trans-55.8153.2157.9-72.1161.2000109.9
514P33.1Very low28.7Very low111 Ų111147.8 Ų147.872%0.72178%0.783SS**  -145.5-179.880.532.9-10.4000117.5
515W27.6Very low28.8Very low199 Ų199151.7 Ų151.775%0.75479%0.786SS**  trans-95.6170.5-15834.7-84.6000114
516E27.9Very low28.4Very low164 Ų164152.3 Ų152.377%0.76678%0.784SS**  trans57.5109.7159.8-66.4169.8-168.500120.8
517K31.5Very low28.4Very low192 Ų192153.4 Ų153.484%0.83579%0.786SS**  trans-156.7151.5130.6-115.2173.7-176.1-178.90110.7
518Y29.7Very low28.2Very low207 Ų207153.9 Ų153.981%0.81279%0.789SS**  trans76.181.3178.4-61.8-77.7000118.5
519Q28Very low28.3Very low182 Ų182153.1 Ų153.185%0.8579%0.794SS**  -89.9168.5129.4-79.2-178.2-28.900109.6
520D27.5Very low28.3Very low162 Ų162155 Ų15587%0.86680%0.799SS**  trans62.772.4170.7-64.8-6.8000118.9
521S29.7Very low28Very low106 Ų106155.4 Ų155.474%0.74180%0.797SS**  trans-148.4104.8136.155.30000111.3F523S521-F523 PolarHBondContact O-N 3.23Å
522G24.7Very low27.8Very low76 Ų76154.1 Ų154.178%0.78479%0.79SS**  trans-86.7101.7166.800000110
523F28.7Very low27.3Very low196 Ų196157 Ų15786%0.8679%0.792SS**  trans-151.5147.5163.5-107.8-77.4000110.7S521 F525S521-F523 PolarHBondContact O-N 3.23Å; F523-F525 PolarHBondContact O-N 2.91Å
524D24.6Very low27.1Very low138 Ų138156.1 Ų156.174%0.73879%0.794SS**  trans-62.5125.9-167.3-65.1-69.2000114.4N526D524-N526 PolarHBondContact O-N 3.3Å
525F25.9Very low26.8Very low193 Ų193160 Ų16085%0.84680%0.802SS**  trans-73.478.2157.9-94.7-85.4000110F523 L527F523-F525 PolarHBondContact O-N 2.91Å; F525-L527 PolarHBondContact O-N 2.88Å
526N24.3Very low26.6Very low144 Ų144158.6 Ų158.677%0.7781%0.809SS**  trans-69105151.4-88.2-58000107.5D524D524-N526 PolarHBondContact O-N 3.3Å
527L27.2Very low26.5Very low136 Ų136156.5 Ų156.571%0.71281%0.812SS**  trans-93.9111.8174.2-145.5144.4000107.5F525 V529F525-L527 PolarHBondContact O-N 2.88Å; L527-V529 PolarHBondContact O-N 3.28Å
528D25Very low26.4Very low155 Ų155159 Ų15983%0.82982%0.817SS**  trans-60.1103.7-179.5-76-52.4000111.1E530D528-E530 PolarHBondContact O-N 2.81Å
529V27.1Very low26.3Very low134 Ų134154.4 Ų154.481%0.81282%0.815SS**  trans-97.975.7166.2-177.50000107.8L527 Q531L527-V529 PolarHBondContact O-N 3.28Å; V529-Q531 PolarHBondContact O-N 3.47Å; V529-Q531 VanDerWaalsContact O-N 3.07Å
530E27.7Very low26.4Very low173 Ų173150.7 Ų150.781%0.80881%0.809SS**  trans-75.199.8175.4-157.8179178.500110.4D528D528-E530 PolarHBondContact O-N 2.81Å
531Q25.4Very low26.6Very low159 Ų159148.4 Ų148.474%0.74381%0.806SS**  trans29.5110.5151.6-56-176.811.500118V529V529-Q531 PolarHBondContact O-N 3.47Å; V529-Q531 VanDerWaalsContact O-N 3.07Å
532N24.6Very low26.7Very low137 Ų137150 Ų15073%0.73381%0.806SS**  -166.3108.8120.5-101.4-58000113.9
533Q23.7Very low27.1Very low170 Ų170148 Ų14879%0.79479%0.786SS**  trans46.490.4139.5-57176.156.100119.5
534T25.8Very low27.2Very low145 Ų145141.1 Ų141.189%0.8976%0.757SS**  -173.591.3126.842.10000111.5
535E25.8Very low27.7Very low192 Ų192138 Ų13890%0.89774%0.74SS**  trans-122.4102.5163.3-71.8-158.8142.500109.7
536N24.6Very low28.1Very low170 Ų170132.6 Ų132.691%0.90972%0.722SS**  trans-162.158.6172.7-119.4-15.6000112.5
537S25.9Very low29.6Very low119 Ų119128.6 Ų128.683%0.83272%0.715SS**  trans-17573.3162.153.40000112.6
538R28.5Very low30Very low244 Ų244130.5 Ų130.592%0.92173%0.726SS**  trans-123128.2153.7-86.1-176.7170.3163.9-2.7108.5
539S28.4Very low30.2Very low111 Ų111130 Ų13078%0.77672%0.719SS**  trans-56.6127.1-172.3460000113.2S541S539-S541 PolarHBondContact O-N 3.24Å
540S28.5Very low30.6Very low105 Ų105129.8 Ų129.873%0.73471%0.712SS**  trans-6897170.1-660000111.4N542S540-N542 PolarHBondContact O-N 3.14Å
541S32.7Very low30.8Very low113 Ų113125.3 Ų125.379%0.7969%0.693SS**  trans-78.392.4158.437.60000109.1S539 G543S539-S541 PolarHBondContact O-N 3.24Å; S541-G543 PolarHBondContact O-N 2.96Å
542N32.3Very low31Very low141 Ų141123.3 Ų123.375%0.75469%0.694SS**  trans-73.972174.9-69.7-11.7000110.6S540S540-N542 PolarHBondContact O-N 3.14Å
543G32.4Very low31.6Very low34 Ų34120 Ų12035%0.35168%0.678SS.*EExtended strand (participates in β ladder)trans-94.1132.8174.400000111.9S541S541-G543 PolarHBondContact O-N 2.96Å
544L31.9Very low32.1Very low50 Ų50120.1 Ų120.126%0.26268%0.679SS.*EExtended strand (participates in β ladder)trans-82.7116.5171.9-126.2160000107.9V546 I551 V553L544-V546 HydrophobicContact CD2-CG2 4.38Å; L544-I551 PolarHBondContact N-O 3.25Å; L544-I551 PolarHBondContact O-N 3Å; L544-I551 VanDerWaalsContact O-N 3.1Å; L544-V553 HydrophobicContact CB-CG2 3.92Å; L544-V553 HydrophobicContact CD1-CG2 3.92Å
545I35.1Very low32.3Very low72 Ų72119.2 Ų119.237%0.36968%0.675SS.*EExtended strand (participates in β ladder)trans-91116.8-179.4-59.2175.9000108.5G547I545-G547 WeakPolarHBondContact CG2-O 3.4Å
546V33.5Very low32.7Very low80 Ų80113.4 Ų113.449%0.48566%0.66SS.*EExtended strand (participates in β ladder)trans-12296.6175.3-176.60000107.8L544 N548 E549 I551L544-V546 HydrophobicContact CD2-CG2 4.38Å; V546-N548 PolarHBondContact O-N 3.01Å; V546-E549 PolarHBondContact N-O 3.44Å; V546-E549 PolarHBondContact O-N 2.9Å; V546-I551 HydrophobicContact CB-CD1 4.42Å; V546-I551 HydrophobicContact CG2-CD1 4.26Å
547G54.8Low33.2Very low60 Ų60112.1 Ų112.162%0.61965%0.653SS**THydrogen-bonded Turntrans67.8-128.8-172.600000111.9I545I545-G547 WeakPolarHBondContact CG2-O 3.4Å
548N36.2Very low33.7Very low177 Ų177110.6 Ų110.695%0.94764%0.635SS**THydrogen-bonded Turntrans-911.4180-77.521.8000113.7V546V546-N548 PolarHBondContact O-N 3.01Å
549E29.8Very low34.1Very low144 Ų144105.8 Ų105.867%0.67363%0.628SS**EExtended strand (participates in β ladder)trans-107.2145179.8-69.7-174.8147.200112.1V546V546-E549 PolarHBondContact N-O 3.44Å; V546-E549 PolarHBondContact O-N 2.9Å
550I34.8Very low34.7Very low129 Ų129102.2 Ų102.266%0.66261%0.605SS**EExtended strand (participates in β ladder)trans-103.1110.8174.6-59.6174.2000107.2
551I33.5Very low35.1Very low79 Ų79102.1 Ų102.141%0.40560%0.604SS.*EExtended strand (participates in β ladder)trans-93.1121.4175.3-56.8177.2000108.1L544 V546 V553L544-I551 PolarHBondContact N-O 3.25Å; L544-I551 PolarHBondContact O-N 3Å; L544-I551 VanDerWaalsContact O-N 3.1Å; V546-I551 HydrophobicContact CB-CD1 4.42Å; V546-I551 HydrophobicContact CG2-CD1 4.26Å; I551-V553 HydrophobicContact CG2-CG2 4.38Å; I551-V553 PolarHBondContact O-N 2.89Å
552P29.1Very low35.7Very low118 Ų118102 Ų10277%0.76659%0.594SS**EExtended strand (participates in β ladder)trans-73.1123.4171.830.1-31.9000109.2
553V35.9Very low36.3Very low68 Ų6898.2 Ų98.241%0.41257%0.574SS.*  trans-111.8128.2179.5176.70000109L544 I551L544-V553 HydrophobicContact CB-CG2 3.92Å; L544-V553 HydrophobicContact CD1-CG2 3.92Å; I551-V553 HydrophobicContact CG2-CG2 4.38Å; I551-V553 PolarHBondContact O-N 2.89Å
554E34.3Very low36.9Very low171 Ų17199.3 Ų99.380%0.79957%0.574SS**  trans-61.8148174.8-96.5-170.313400111.4A556E554-A556 PolarHBondContact O-N 3.45Å
555P30.6Very low37.7Very low126 Ų126100.8 Ų100.882%0.81858%0.581SS**  trans-76.672.7-178.833.5-36000111.6
556A35Very low38.5Very low71 Ų71103.4 Ų103.459%0.58759%0.591SS**  trans-67.1133.1160.700000109.4E554 L558E554-A556 PolarHBondContact O-N 3.45Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.48Å
557N33.8Very low39.3Very low142 Ų142103.9 Ų103.976%0.75959%0.587SS**  trans-69.479.8176.7-83.5-52.7000111N559N557-N559 PolarHBondContact O-N 3.46Å
558L37.3Very low38.9Very low87 Ų87105.4 Ų105.446%0.45558%0.581SS.*  trans-75.373174.6-71.7145.7000110.1A556 A560 D563 V564A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.48Å; L558-A560 VanDerWaalsContact C-N 3.34Å; L558-D563 HydrophobicContact CD2-CB 3.75Å; L558-V564 HydrophobicContact CD2-CG2 4Å
559N36.6Very low39.4Very low144 Ų144106.3 Ų106.377%0.7757%0.571SS**  trans-94.522.7-178.9-84.8-16.8000113.2N557N557-N559 PolarHBondContact O-N 3.46Å
560A40.1Very low40.4Very low35 Ų35103.1 Ų103.129%0.28956%0.564SS.*SBendtrans-149.2148.6166.200000111.6L558 D562 D563L558-A560 VanDerWaalsContact C-N 3.34Å; A560-D562 HydrophobicContact CB-CB 4.14Å; A560-D562 PolarHBondContact O-N 2.96Å; A560-D563 PolarHBondContact N-OD2 3.45Å; A560-D563 PolarHBondContact O-N 2.95Å; A560-D563 VanDerWaalsContact O-N 3.16Å
561C37.5Very low41.1Very low104 Ų104102.5 Ų102.570%0.70356%0.559SS**Hα-helixtrans-57.8-29.2163.7-70.70000111.4V564 I565C561-V564 PolarHBondContact O-N 2.91Å; C561-I565 VanDerWaalsContact O-CG1 3.31Å; C561-I565 WeakPolarHBondContact O-CG1 3.39Å; C561-I565 PolarHBondContact O-N 3.24Å; C561-I565 VanDerWaalsContact O-N 3.07Å
562D45.3Very low41.5Very low109 Ų109103.7 Ų103.758%0.58357%0.565SS**Hα-helixtrans-64.8-35.1176.3-66.3-45.2000112.8A560 I565 Q566A560-D562 HydrophobicContact CB-CB 4.14Å; A560-D562 PolarHBondContact O-N 2.96Å; D562-I565 CarbonylContact O-C 3.56Å; D562-I565 PolarHBondContact O-N 3.3Å; D562-Q566 WeakPolarHBondContact O-CG 3.28Å; D562-Q566 PolarHBondContact O-N 2.89Å
563D44.1Very low41.7Very low62 Ų62103.9 Ų103.933%0.33257%0.566SS.*Hα-helixtrans-70.2-38.2178.6-59.3-31.2000111.1L558 A560 I565 Q566 F567L558-D563 HydrophobicContact CD2-CB 3.75Å; A560-D563 PolarHBondContact N-OD2 3.45Å; A560-D563 PolarHBondContact O-N 2.95Å; A560-D563 VanDerWaalsContact O-N 3.16Å; D563-I565 VanDerWaalsContact C-N 3.3Å; D563-I565 PolarHBondContact O-N 2.8Å; D563-Q566 PolarHBondContact O-N 3.22Å; D563-F567 WeakPolarHBondContact O-CB 3.44Å; D563-F567 PolarHBondContact O-N 3.3Å
564V45.6Very low41.7Very low58 Ų58104.3 Ų104.335%0.35259%0.585SS.*Hα-helixtrans-63.3-38.5172-1790000110.6L558 C561 L568L558-V564 HydrophobicContact CD2-CG2 4Å; C561-V564 PolarHBondContact O-N 2.91Å; V564-L568 HydrophobicContact CG1-CD1 4.12Å; V564-L568 WeakPolarHBondContact O-CB 3.49Å; V564-L568 VanDerWaalsContact O-CG 3.27Å; V564-L568 WeakPolarHBondContact O-CG 3.36Å; V564-L568 PolarHBondContact O-N 2.9Å
565I49.2Very low41.9Very low80 Ų80104.6 Ų104.641%0.4158%0.583SS.*Hα-helixtrans-70.9-35.3176.3-69.1166.5000111.4C561 D562 D563 R569C561-I565 VanDerWaalsContact O-CG1 3.31Å; C561-I565 WeakPolarHBondContact O-CG1 3.39Å; C561-I565 PolarHBondContact O-N 3.24Å; C561-I565 VanDerWaalsContact O-N 3.07Å; D562-I565 CarbonylContact O-C 3.56Å; D562-I565 PolarHBondContact O-N 3.3Å; D563-I565 VanDerWaalsContact C-N 3.3Å; D563-I565 PolarHBondContact O-N 2.8Å; I565-R569 VanDerWaalsContact O-CG 3.26Å; I565-R569 WeakPolarHBondContact O-CG 3.41Å; I565-R569 PolarHBondContact O-N 3.37Å; I565-R569 VanDerWaalsContact O-N 3.14Å
566Q52.5Low41.9Very low127 Ų127109 Ų10959%0.59359%0.589SS**Hα-helixtrans-68.3-43.5173.1-75.4-163.538.500112.2D562 D563 L568 R569 S570D562-Q566 WeakPolarHBondContact O-CG 3.28Å; D562-Q566 PolarHBondContact O-N 2.89Å; D563-Q566 PolarHBondContact O-N 3.22Å; Q566-L568 VanDerWaalsContact C-N 3.34Å; Q566-L568 PolarHBondContact O-N 3.22Å; Q566-R569 CarbonylContact O-C 3.59Å; Q566-R569 WeakPolarHBondContact O-CA 3.47Å; Q566-R569 WeakPolarHBondContact O-CB 3.35Å; Q566-R569 PolarHBondContact O-N 2.95Å; Q566-S570 PolarHBondContact O-N 3.06Å
567F49.5Very low41.7Very low91 Ų91112.8 Ų112.840%0.39960%0.599SS.*Hα-helixtrans-61.5-41.5175.4-175.1-105.4000112D563 R569 S570 E571D563-F567 WeakPolarHBondContact O-CB 3.44Å; D563-F567 PolarHBondContact O-N 3.3Å; F567-R569 PolarHBondContact O-N 3.46Å; F567-S570 PolarHBondContact O-N 3.22Å; F567-S570 PolarHBondContact O-OG 2.74Å; F567-E571 HydrophobicContact CE2-CG 4.4Å; F567-E571 HydrophobicContact CZ-CG 4.11Å; F567-E571 PolarHBondContact O-N 3.37Å; F567-E571 VanDerWaalsContact O-N 3.14Å
568L45.7Very low41.5Very low91 Ų91115.2 Ų115.248%0.47660%0.603SS.*Hα-helixtrans-69.1-14.3172.9-69.5171.1000113.9V564 Q566 I572V564-L568 HydrophobicContact CG1-CD1 4.12Å; V564-L568 WeakPolarHBondContact O-CB 3.49Å; V564-L568 VanDerWaalsContact O-CG 3.27Å; V564-L568 WeakPolarHBondContact O-CG 3.36Å; V564-L568 PolarHBondContact O-N 2.9Å; Q566-L568 VanDerWaalsContact C-N 3.34Å; Q566-L568 PolarHBondContact O-N 3.22Å; L568-I572 HydrophobicContact CD2-CD1 4.47Å
569R48Very low41.4Very low197 Ų197116.4 Ų116.474%0.74362%0.618SS**Hα-helixtrans-87.2-27.9169.9-73.9169.9-177.1-169.23.1112.9I565 Q566 F567I565-R569 VanDerWaalsContact O-CG 3.26Å; I565-R569 WeakPolarHBondContact O-CG 3.41Å; I565-R569 PolarHBondContact O-N 3.37Å; I565-R569 VanDerWaalsContact O-N 3.14Å; Q566-R569 CarbonylContact O-C 3.59Å; Q566-R569 WeakPolarHBondContact O-CA 3.47Å; Q566-R569 WeakPolarHBondContact O-CB 3.35Å; Q566-R569 PolarHBondContact O-N 2.95Å; F567-R569 PolarHBondContact O-N 3.46Å
570S50.1Low41Very low77 Ų77117.2 Ų117.254%0.53862%0.623SS.*Hα-helixtrans-79.1-44.6177.955.20000112.7Q566 F567 I572Q566-S570 PolarHBondContact O-N 3.06Å; F567-S570 PolarHBondContact O-N 3.22Å; F567-S570 PolarHBondContact O-OG 2.74Å; S570-I572 VanDerWaalsContact C-N 3.34Å; S570-I572 PolarHBondContact O-N 3.34Å
571E50.5Low40.6Very low116 Ų116123.2 Ų123.254%0.54264%0.644SS.*SBendtrans-81.3-7.6-168.1-112.966.6-177.100114.7F567 P573F567-E571 HydrophobicContact CE2-CG 4.4Å; F567-E571 HydrophobicContact CZ-CG 4.11Å; F567-E571 PolarHBondContact O-N 3.37Å; F567-E571 VanDerWaalsContact O-N 3.14Å; E571-P573 WeakPolarHBondContact O-CD 3.42Å
572I41.8Very low40.1Very low103 Ų103123.9 Ų123.953%0.52865%0.647SS.*  trans-125.978.2-173-47.8-179.3000111.5L568 S570 G574L568-I572 HydrophobicContact CD2-CD1 4.47Å; S570-I572 VanDerWaalsContact C-N 3.34Å; S570-I572 PolarHBondContact O-N 3.34Å; I572-G574 PolarHBondContact O-N 3.21Å
573P33.1Very low39.2Very low122 Ų122125.3 Ų125.379%0.79265%0.654SS**THydrogen-bonded Turntrans-69.6127.717428.5-33.3000111.1E571E571-P573 WeakPolarHBondContact O-CD 3.42Å
574G36.1Very low38.5Very low78 Ų78131 Ų13180%0.80468%0.676SS**THydrogen-bonded Turntrans123.711158.100000119.6I572I572-G574 PolarHBondContact O-N 3.21Å
575K36.5Very low37.4Very low176 Ų176134.8 Ų134.877%0.76570%0.7SS**  trans-126.4106.7176.1-70.3-179-177.4169.60113.6L577K575-L577 PolarHBondContact O-N 3.01Å
576K30.7Very low36.4Very low220 Ų220136.6 Ų136.696%0.95771%0.714SS**  trans-64.9111.9170.5-73.4-178.3175.1178.60110.5
577L31.8Very low35.1Very low149 Ų149135 Ų13578%0.7872%0.723SS**  trans-99.7145.2158.3-95.9149.6000108.7K575K575-L577 PolarHBondContact O-N 3.01Å
578K30.3Very low34.2Very low194 Ų194136.9 Ų136.984%0.84374%0.742SS**  trans-118151.2-163.7-160.6179.5-176.8-174.10110.5
579S34.7Very low33.4Very low111 Ų111138.3 Ų138.378%0.77675%0.754SS**  trans68.4128.617246.80000118.5
580D27.4Very low32.2Very low162 Ų162137.6 Ų137.687%0.86676%0.76SS**  trans-81.5139.6176.9-42.1-97.3000112.1
581E31.5Very low31Very low160 Ų160138.2 Ų138.275%0.74877%0.769SS**  trans-161.2132.9146.1-139.8-177-172.500111.5
582P27.3Very low29.9Very low118 Ų118141.5 Ų141.577%0.76678%0.784SS**  trans-98.3113177.534.4-29.2000112
583L27.6Very low29Very low139 Ų139141.5 Ų141.573%0.72880%0.799SS**  trans-115.189.8179.8-74.4175000114.3
584K27.8Very low28.6Very low181 Ų181141.6 Ų141.679%0.78780%0.803SS**  trans37.2110.4137.7-68178.7177.5174.50119.2V586K584-V586 PolarHBondContact O-N 2.96Å
585T23.7Very low28.2Very low138 Ų138143.9 Ų143.985%0.84780%0.801SS**  trans-44.8128.2147.5-44.90000112
586V28.7Very low27.8Very low119 Ų119143.8 Ų143.872%0.72180%0.804SS**  trans-116.4105.8158.7176.50000107.6K584K584-V586 PolarHBondContact O-N 2.96Å
587A24.5Very low27.7Very low93 Ų93140.8 Ų140.877%0.76980%0.798SS**  trans-79.4132.5162.300000108.2
588T31.2Very low27.4Very low131 Ų131137.6 Ų137.680%0.80480%0.801SS**  trans-136.5136.2162-20000109.3
589T27.4Very low27.4Very low120 Ų120131 Ų13174%0.73678%0.783SS**  trans-80.3154.5-168.141.40000113.3
590E23.8Very low27.5Very low183 Ų183131.4 Ų131.486%0.85578%0.775SS**  trans45.8111.7145.1-63177-179.500119.1
591A25.3Very low27.8Very low89 Ų89129.1 Ų129.174%0.73676%0.763SS**  166.1141.711500000113.5
592H26.2Very low27.9Very low185 Ų185127.5 Ų127.586%0.85676%0.759SS**  trans40.6108.9153.5-61.3-63.9000121.5
593A23.6Very low28.3Very low103 Ų103126.8 Ų126.885%0.85175%0.753SS**  trans39.5105.7133.400000120.3
594S25.1Very low28.7Very low124 Ų124124.4 Ų124.487%0.86775%0.747SS**  -174.8155.8121.9-164.10000111.8Q596S594-Q596 PolarHBondContact O-N 2.73Å
595T27.1Very low28.8Very low126 Ų126121.9 Ų121.977%0.77375%0.753SS**  trans-64.4119.1175.2-58.40000112.2
596Q27.6Very low29.4Very low175 Ų175119 Ų11982%0.81874%0.738SS**  trans-169116.1151.1-110.1160.345.400115.2S594S594-Q596 PolarHBondContact O-N 2.73Å
597N28.9Very low29.9Very low156 Ų156119.6 Ų119.683%0.83475%0.748SS**  trans34.684137.9-55.5-18.6000119.8
598G26.4Very low30.4Very low82 Ų82118 Ų11885%0.84573%0.734SS**  trans-92.7101.3163.600000112.7
599A30.7Very low30.7Very low55 Ų55117.3 Ų117.346%0.45573%0.732SS.*  trans-121.9126.7168.600000109.6
600I35Very low31.4Very low121 Ų121114.5 Ų114.562%0.62172%0.715SS**  trans-95.9106.9179.4-53.5174.3000108.1L602I600-L602 HydrophobicContact CG2-CD2 4.29Å; I600-L602 HydrophobicContact CG2-CG 4.37Å
601D33.8Very low32.2Very low113 Ų113108.2 Ų108.260%0.60469%0.689SS**EExtended strand (participates in β ladder)trans-85.3119.9172.3-98.2-13.8000109.9
602L33.3Very low33Very low126 Ų126110.4 Ų110.466%0.6668%0.678SS**EExtended strand (participates in β ladder)trans-107.2100.2171.8-65.7177.8000109.7I600I600-L602 HydrophobicContact CG2-CD2 4.29Å; I600-L602 HydrophobicContact CG2-CG 4.37Å
603T37.1Very low34.1Very low104 Ų104107.4 Ų107.464%0.63866%0.663SS**  trans-106115.8176.759.20000111.4
604S35Very low35.4Very low88 Ų88104 Ų10462%0.61564%0.635SS**  trans-88.1112.7170.856.30000111.3S606S604-S606 PolarHBondContact O-N 3.45Å
605S31.2Very low36.6Very low129 Ų129105.2 Ų105.290%0.90262%0.62SS**  trans-86.790.7174.257.40000110.7
606S35.4Very low37.8Very low77 Ų77103.3 Ų103.354%0.53861%0.605SS.*  trans-136.4148.4170.9-175.30000110.8S604 A608S604-S606 PolarHBondContact O-N 3.45Å; S606-A608 PolarHBondContact O-N 2.87Å
607S38.5Very low39.2Very low132 Ų13297.5 Ų97.592%0.92358%0.584SS**SBendtrans-75.624.9-161.6490000116.1
608A35.8Very low40Very low59 Ų5995 Ų9549%0.48859%0.585SS.*SBendtrans-87.7155.1-179.900000112.7S606 T610S606-A608 PolarHBondContact O-N 2.87Å; A608-T610 PolarHBondContact O-N 3.02Å
609P37.7Very low41.2Very low116 Ų11696.5 Ų96.575%0.75357%0.573SS**SBendtrans-73.13.9-173.630-36.8000115.5
610T41.6Very low42.2Very low62 Ų62100.7 Ų100.738%0.3859%0.588SS.*EExtended strand (participates in β ladder)trans-130.9103.5-176.2-27.70000109.4A608 W612A608-T610 PolarHBondContact O-N 3.02Å; T610-W612 HydrophobicContact CG2-CZ2 4.34Å
611T40.4Very low42.9Very low50 Ų50101.4 Ų101.431%0.30758%0.583SS.*EExtended strand (participates in β ladder)trans-84.5122.9169.447.70000109.1S627T611-S627 PolarHBondContact O-N 3.24Å; T611-S627 PolarHBondContact OG1-O 2.87Å
612W42.4Very low44.1Very low136 Ų13699.2 Ų99.252%0.51557%0.571SS.*EExtended strand (participates in β ladder)trans-97.7141172.8-60.480.7000108.9T610 I624 S625T610-W612 HydrophobicContact CG2-CZ2 4.34Å; W612-I624 HydrophobicContact CE3-CG2 3.8Å; W612-I624 HydrophobicContact CZ3-CG2 4.25Å; W612-S625 CarbonylContact C-O 3.53Å; W612-S625 WeakPolarHBondContact CA-O 3.44Å
613K50Low45.2Very low121 Ų12196.2 Ų96.253%0.52656%0.558SS.*EExtended strand (participates in β ladder)trans-121.4124.8169.2-72.3-171.6174.3-167.30108.8I624 S625K613-I624 WeakPolarHBondContact O-CA 3.41Å; K613-S625 PolarHBondContact N-O 2.73Å; K613-S625 PolarHBondContact O-N 2.94Å; K613-S625 PolarHBondContact O-OG 3.42Å
614A51.3Low45.9Very low33 Ų3394.6 Ų94.627%0.27355%0.545SS..EExtended strand (participates in β ladder)trans-106.1133.316900000109T623A614-T623 CarbonylContact C-O 3.59Å; A614-T623 VanDerWaalsContact CA-O 3.29Å; A614-T623 WeakPolarHBondContact CA-O 3.41Å
615R50.5Low46.5Very low148 Ų14893.2 Ų93.256%0.55854%0.535SS*.EExtended strand (participates in β ladder)trans-132.1123.4174.8-175.3178.1-171.8167.95.4109.6T623R615-T623 PolarHBondContact N-O 3.46Å; R615-T623 PolarHBondContact O-N 2.92Å; R615-T623 PolarHBondContact O-OG1 2.59Å
616L52.2Low47.1Very low86 Ų8690.1 Ų90.145%0.4551%0.514SS..EExtended strand (participates in β ladder)trans-91125.8171.2-172.964.5000108.9
617S55.5Low47.4Very low54 Ų5489.2 Ų89.238%0.37851%0.507SS..  trans-91.9156.3176.2175.60000111.1N619 N620 R621S617-N619 WeakPolarHBondContact CB-OD1 3.45Å; S617-N619 PolarHBondContact O-N 3.09Å; S617-N619 PolarHBondContact OG-OD1 3.41Å; S617-N620 PolarHBondContact O-N 3.41Å; S617-R621 PolarHBondContact N-O 3.33Å
618A46.2Very low47.5Very low104 Ų10487.9 Ų87.986%0.8650%0.495SS*.THydrogen-bonded Turntrans-61.2-9-178.800000114.9
619N51.3Low47.5Very low112 Ų11292.7 Ų92.760%0.59951%0.505SS*.THydrogen-bonded Turntrans-101.528.8172.263.4-14.9000112.9S617 R621S617-N619 WeakPolarHBondContact CB-OD1 3.45Å; S617-N619 PolarHBondContact O-N 3.09Å; S617-N619 PolarHBondContact OG-OD1 3.41Å; N619-R621 PolarHBondContact O-N 2.88Å; N619-R621 WeakPolarHBondContact OD1-CB 3.46Å
620N52.1Low47.3Very low143 Ų14392.8 Ų92.877%0.76550%0.504SS*.SBendtrans54.618.5-176.7-69.7-2.6000115.5S617 L622S617-N620 PolarHBondContact O-N 3.41Å; N620-L622 PolarHBondContact O-N 3.01Å
621R50.8Low46.9Very low137 Ų13799.1 Ų99.152%0.51753%0.526SS..  trans-83.4113.3176.9-167.4179.3-174.7-1712.9110.3S617 N619 T623S617-R621 PolarHBondContact N-O 3.33Å; N619-R621 PolarHBondContact O-N 2.88Å; N619-R621 WeakPolarHBondContact OD1-CB 3.46Å; R621-T623 HydrophobicContact CG-CG2 4.5Å
622L58.5Low46.4Very low66 Ų66108 Ų10835%0.34655%0.554SS.*EExtended strand (participates in β ladder)trans-79.1132.1168.8-171.268.4000109.7N620 I624N620-L622 PolarHBondContact O-N 3.01Å; L622-I624 HydrophobicContact CD2-CD1 4.11Å; L622-I624 HydrophobicContact CD2-CG1 4.29Å; L622-I624 HydrophobicContact CG-CG1 4.27Å
623T55.1Low45.9Very low64 Ų64110.8 Ų110.839%0.39357%0.569SS.*EExtended strand (participates in β ladder)trans-124127172.951.70000109.4A614 R615 R621A614-T623 CarbonylContact C-O 3.59Å; A614-T623 VanDerWaalsContact CA-O 3.29Å; A614-T623 WeakPolarHBondContact CA-O 3.41Å; R615-T623 PolarHBondContact N-O 3.46Å; R615-T623 PolarHBondContact O-N 2.92Å; R615-T623 PolarHBondContact O-OG1 2.59Å; R621-T623 HydrophobicContact CG-CG2 4.5Å
624I53Low44.8Very low69 Ų69114.1 Ų114.135%0.35459%0.587SS.*EExtended strand (participates in β ladder)trans-118.1126.6179.2-56.6176.2000107.9W612 K613 L622W612-I624 HydrophobicContact CE3-CG2 3.8Å; W612-I624 HydrophobicContact CZ3-CG2 4.25Å; K613-I624 WeakPolarHBondContact O-CA 3.41Å; L622-I624 HydrophobicContact CD2-CD1 4.11Å; L622-I624 HydrophobicContact CD2-CG1 4.29Å; L622-I624 HydrophobicContact CG-CG1 4.27Å
625S47.1Very low43.8Very low59 Ų59118 Ų11841%0.41361%0.607SS.*EExtended strand (participates in β ladder)trans-128138.1176.759.40000111W612 K613W612-S625 CarbonylContact C-O 3.53Å; W612-S625 WeakPolarHBondContact CA-O 3.44Å; K613-S625 PolarHBondContact N-O 2.73Å; K613-S625 PolarHBondContact O-N 2.94Å; K613-S625 PolarHBondContact O-OG 3.42Å
626S42.9Very low42.8Very low65 Ų65116.6 Ų116.646%0.45562%0.617SS.*EExtended strand (participates in β ladder)trans-100.9135.2168.660.20000109.2
627S42.5Very low41.8Very low57 Ų57118.1 Ų118.140%0.39963%0.629SS.*EExtended strand (participates in β ladder)trans-116.1112.3174.4-73.20000110.1T611 K629T611-S627 PolarHBondContact O-N 3.24Å; T611-S627 PolarHBondContact OG1-O 2.87Å; S627-K629 PolarHBondContact O-N 3.37Å
628P40.8Very low40.5Very low104 Ų104123.5 Ų123.568%0.67565%0.653SS**EExtended strand (participates in β ladder)trans-75114.5174.328.9-31.7000110.3V630P628-V630 VanDerWaalsContact C-N 3.32Å; P628-V630 PolarHBondContact O-N 3.4Å
629K36.2Very low39.9Very low161 Ų161125.9 Ų125.970%0.765%0.65SS**  trans-73.984.1171.5-78-174.9177.5176.90110.5S627 K631S627-K629 PolarHBondContact O-N 3.37Å; K629-K631 PolarHBondContact O-N 2.89Å
630V33.4Very low38.8Very low118 Ų118131.6 Ų131.672%0.71566%0.663SS**  trans-66.6101.8171.5-179.20000109.5P628 R632P628-V630 VanDerWaalsContact C-N 3.32Å; P628-V630 PolarHBondContact O-N 3.4Å; V630-R632 PolarHBondContact O-N 3.13Å
631K32Very low37.8Very low194 Ų194136.5 Ų136.584%0.84367%0.671SS**  trans-67.792.9166.8-73.6-175.3177.8-179.80109.1K629 K633K629-K631 PolarHBondContact O-N 2.89Å; K631-K633 PolarHBondContact O-N 3.47Å
632R30.4Very low37Very low237 Ų237138.7 Ų138.789%0.89469%0.687SS**  trans-61.598.3166.4-88.3-178166.3150.8-3.6109.4V630 Q634V630-R632 PolarHBondContact O-N 3.13Å; R632-Q634 PolarHBondContact O-N 3.15Å
633K31.2Very low35.6Very low194 Ų194140.8 Ų140.884%0.84371%0.707SS**  trans-67.1119.2156.3-83.6-173.4173-1770107.2K631 V635K631-K633 PolarHBondContact O-N 3.47Å; K633-V635 PolarHBondContact O-N 3.36Å
634Q28.7Very low34.6Very low191 Ų191146 Ų14689%0.89373%0.731SS**  trans-66.4128.3165.6-72.7176.5-1700108.7R632R632-Q634 PolarHBondContact O-N 3.15Å
635V29.5Very low33.7Very low116 Ų116148.5 Ų148.570%0.70375%0.75SS**  trans-129.6119.5164.5-178.60000105.8K633K633-V635 PolarHBondContact O-N 3.36Å
636P28.9Very low33Very low117 Ų117151.6 Ų151.676%0.7677%0.768SS**  trans-79.2126.7-177.831.1-32.3000110.1
637V32.1Very low32.5Very low118 Ų118156.5 Ų156.572%0.71579%0.788SS**  trans-119.5111.2168.3179.60000107.8I639V637-I639 HydrophobicContact CG1-CG1 4.35Å; V637-I639 PolarHBondContact O-N 3.33Å
638L27Very low32.2Very low167 Ų167158.7 Ų158.787%0.87480%0.804SS**  trans-66.5121.5172.1-86.676.7000109.4
639I34.9Very low32Very low154 Ų154159.9 Ų159.979%0.7981%0.809SS**  trans-129.4127.8155.3-58.6-176.3000108.8V637 R641V637-I639 HydrophobicContact CG1-CG1 4.35Å; V637-I639 PolarHBondContact O-N 3.33Å; I639-R641 PolarHBondContact O-N 3.44Å
640R28.6Very low32.2Very low232 Ų232157.1 Ų157.188%0.87581%0.808SS**  trans-78.9111.5-166-172.6178.1-170.8156.2-0.8110.8
641R30.4Very low32.4Very low246 Ų246157.7 Ų157.793%0.92881%0.807SS**  trans-74.1126.8164.9-84.3-175168.4-172.4-4.6109.6I639I639-R641 PolarHBondContact O-N 3.44Å
642Q33.3Very low32.5Very low184 Ų184157.1 Ų157.186%0.8681%0.805SS**  trans-88.4146.3156.4-79.3-178.1-22.800109.2
643S29.9Very low32.8Very low110 Ų110150 Ų15077%0.76979%0.791SS**  trans-111.6130.9-171.5510000111
644I33.7Very low33Very low172 Ų172148.7 Ų148.788%0.88279%0.787SS**  trans-132.9137.6155.1-60.2-175.6000108.2
645T35.2Very low33.5Very low123 Ų123147.6 Ų147.676%0.75578%0.782SS**  trans-90.6157.9-168.540.60000113.5
646P32.3Very low33.9Very low123 Ų123149.8 Ų149.880%0.79979%0.785SS**  trans-91.3171.2170.337.3-34.2000113.3
647L30.9Very low34.5Very low168 Ų168151 Ų15188%0.8878%0.784SS**  trans9999.7157.9-158.478000118.8
648S37.2Very low35Very low104 Ų104158.2 Ų158.273%0.72781%0.81SS**  178.8118.8121.156.90000113.3
649T36.8Very low35.5Very low128 Ų128157.8 Ų157.879%0.78581%0.807SS**  trans9.7166.4139.862.70000122.4
650P39.9Very low35.5Very low104 Ų104157.9 Ų157.968%0.67581%0.808SS**  -130.8-170.7-65.238.8-19.4000110.8
651D36.9Very low35.9Very low130 Ų130153.8 Ų153.870%0.69580%0.804SS**  trans166.7136136.4-89.6-14.7000113.4
652F35.3Very low36.2Very low182 Ų182148.4 Ų148.480%0.79880%0.796SS**  trans33.5142.8147.6-66.1-86000121.7
653C36.1Very low36.4Very low88 Ų88146.2 Ų146.260%0.59579%0.792SS**  cis-149.6161.718.7-106.20000111.6
654E36.2Very low36.8Very low166 Ų166148.6 Ų148.678%0.77679%0.794SS**  trans25.1148.8139.5-64.1148.4160.800120.5
655E38.8Very low37Very low167 Ų167146.9 Ų146.978%0.7879%0.788SS**  cis-162.1136.833.4-151.4160.9-163.700110.3
656E36.8Very low37.2Very low162 Ų162148.8 Ų148.876%0.75779%0.79SS**  trans39.1133.3133.7-124.1171.8-149.500120.9
657L41.5Very low37.6Very low144 Ų144150.9 Ų150.975%0.75479%0.79SS**  -166.1149.563.9-89.9156.7000114.4
658E44.7Very low38.2Very low268 Ų268149.4 Ų149.4100%1.25278%0.781SS**  trans45.70165.5-63.9-164.1145.400121.5

Retrieved 658 of 658 residues in 143.8 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).