YF036_YEAST Loading...

Putative uncharacterized protein YFR036W-A

AlphaFold DB , UniProt , Accession A0A023PZD0, Species YEAST (Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Baker's yeast), Gene n/a, Length 216 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
1M61.7Low70.9Confident211 Ų211118.4 Ų118.4100%1.03964%0.64SS**  0-19.60-86.3-179.2136.500114.2
2T71.9Confident70.4Confident118 Ų118119.4 Ų119.472%0.72464%0.635SS**Hα-helixtrans-72-33.6-177.544.40000114.9V4 H5 F6T2-V4 PolarHBondContact O-N 2.73Å; T2-H5 PolarHBondContact O-N 3.23Å; T2-F6 PolarHBondContact O-N 2.78Å; T2-F6 VanDerWaalsContact O-N 3.07Å
3I75.3Confident70.1Confident131 Ų131121.8 Ų121.867%0.67264%0.637SS**Hα-helixtrans-66.6-38.7-176.5-63.9171.5000111.9F6 V7I3-F6 PolarHBondContact O-N 2.74Å; I3-V7 HydrophobicContact CG2-CG2 4.27Å; I3-V7 VanDerWaalsContact O-CG2 3.32Å; I3-V7 WeakPolarHBondContact O-CG2 3.44Å; I3-V7 PolarHBondContact O-N 3.4Å
4V67.9Low69.8Low116 Ų116123.1 Ų123.170%0.70364%0.635SS**Hα-helixtrans-67.4-39.7-179.5-1790000111.4T2 G8T2-V4 PolarHBondContact O-N 2.73Å; V4-G8 PolarHBondContact O-N 3.48Å
5H62.2Low69.2Low148 Ų148122.1 Ų122.169%0.68562%0.624SS**Hα-helixtrans-66.3-38.7174-81.2-84.9000112.1T2 G8 S9T2-H5 PolarHBondContact O-N 3.23Å; H5-G8 PolarHBondContact O-N 3.07Å; H5-S9 WeakPolarHBondContact O-CB 3.11Å; H5-S9 PolarHBondContact O-N 2.79Å
6F75.1Confident67.9Low140 Ų140119.7 Ų119.761%0.61461%0.608SS**Hα-helixtrans-65.4-44.8177.5-171.2-101.7000112.1T2 I3 S9 L10T2-F6 PolarHBondContact O-N 2.78Å; T2-F6 VanDerWaalsContact O-N 3.07Å; I3-F6 PolarHBondContact O-N 2.74Å; F6-S9 PolarHBondContact O-N 3.02Å; F6-L10 HydrophobicContact CD1-CD1 3.94Å; F6-L10 HydrophobicContact CD2-CD1 4.49Å; F6-L10 HydrophobicContact CE1-CD1 3.47Å; F6-L10 VanDerWaalsContact CE1-CD1 3.47Å; F6-L10 HydrophobicContact CE2-CD1 4.07Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 3.54Å; F6-L10 PolarHBondContact O-N 3.06Å
7V75Confident66.8Low88 Ų88114.9 Ų114.953%0.53359%0.589SS.*Hα-helixtrans-66.7-40177175.90000111.3I3 L10 F11I3-V7 HydrophobicContact CG2-CG2 4.27Å; I3-V7 VanDerWaalsContact O-CG2 3.32Å; I3-V7 WeakPolarHBondContact O-CG2 3.44Å; I3-V7 PolarHBondContact O-N 3.4Å; V7-L10 PolarHBondContact O-N 3.5Å; V7-F11 WeakPolarHBondContact O-CB 3.25Å; V7-F11 PolarHBondContact O-N 3.04Å
8G71.9Confident65.7Low43 Ų43115.8 Ų115.844%0.44358%0.584SS.*Hα-helixtrans-62.6-44.6175.800000113V4 H5 F11 F12V4-G8 PolarHBondContact O-N 3.48Å; H5-G8 PolarHBondContact O-N 3.07Å; G8-F11 PolarHBondContact O-N 3.14Å; G8-F12 WeakPolarHBondContact O-CB 3.49Å; G8-F12 PolarHBondContact O-N 3.39Å
9S70.8Confident64.5Low84 Ų84112.8 Ų112.859%0.58757%0.569SS**Hα-helixtrans-65.9-39.2175.4-86.30000112.6H5 F6 F12 F13H5-S9 WeakPolarHBondContact O-CB 3.11Å; H5-S9 PolarHBondContact O-N 2.79Å; F6-S9 PolarHBondContact O-N 3.02Å; S9-F12 PolarHBondContact O-N 3.35Å; S9-F13 WeakPolarHBondContact O-CB 3.11Å; S9-F13 PolarHBondContact O-N 3.41Å
10L73.7Confident63.2Low75 Ų75113.5 Ų113.539%0.39357%0.569SS.*Hα-helixtrans-61.1-48.6174-112.494.5000111F6 V7 F12 F13 F14F6-L10 HydrophobicContact CD1-CD1 3.94Å; F6-L10 HydrophobicContact CD2-CD1 4.49Å; F6-L10 HydrophobicContact CE1-CD1 3.47Å; F6-L10 VanDerWaalsContact CE1-CD1 3.47Å; F6-L10 HydrophobicContact CE2-CD1 4.07Å; F6-L10 HydrophobicContact CG-CD1 4.43Å; F6-L10 HydrophobicContact CZ-CD1 3.54Å; F6-L10 PolarHBondContact O-N 3.06Å; V7-L10 PolarHBondContact O-N 3.5Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.68Å; L10-F13 PolarHBondContact O-N 2.76Å; L10-F14 HydrophobicContact CB-CD2 4.48Å; L10-F14 HydrophobicContact CD2-CD2 4.38Å; L10-F14 HydrophobicContact CD2-CE2 3.7Å; L10-F14 HydrophobicContact CG-CD2 4.48Å; L10-F14 HydrophobicContact CG-CE2 4.07Å; L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.4Å
11F74Confident62Low148 Ų148114.6 Ų114.665%0.64957%0.57SS**Hα-helixtrans-60.4-42179.9-170.9-92.9000111.5V7 G8 F14 F15V7-F11 WeakPolarHBondContact O-CB 3.25Å; V7-F11 PolarHBondContact O-N 3.04Å; G8-F11 PolarHBondContact O-N 3.14Å; F11-F14 PolarHBondContact O-N 3.49Å; F11-F15 WeakPolarHBondContact O-CB 3.33Å; F11-F15 PolarHBondContact O-N 2.91Å
12F64.9Low60.7Low131 Ų131111.5 Ų111.558%0.57555%0.548SS*.Hα-helixtrans-62.8-44.5175.5-157.5-91.9000111.5G8 S9 L10 F14 F15 F16G8-F12 WeakPolarHBondContact O-CB 3.49Å; G8-F12 PolarHBondContact O-N 3.39Å; S9-F12 PolarHBondContact O-N 3.35Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.68Å; F12-F14 PolarHBondContact O-N 3.38Å; F12-F15 PolarHBondContact O-N 3.19Å; F12-F16 AromaticContact CD1-CD2 3.52Å; F12-F16 HydrophobicContact CD1-CD2 3.52Å; F12-F16 AromaticContact CD1-CE2 3.72Å; F12-F16 HydrophobicContact CD1-CE2 3.72Å; F12-F16 HydrophobicContact CD1-CG 4.47Å; F12-F16 HydrophobicContact CD2-CD2 4.28Å; F12-F16 AromaticContact CD2-CE2 3.92Å; F12-F16 HydrophobicContact CD2-CE2 3.92Å; F12-F16 AromaticContact CE1-CD2 3.4Å; F12-F16 HydrophobicContact CE1-CD2 3.4Å; F12-F16 VanDerWaalsContact CE1-CD2 3.4Å; F12-F16 AromaticContact CE1-CE2 3.2Å; F12-F16 HydrophobicContact CE1-CE2 3.2Å; F12-F16 HydrophobicContact CE1-CG 4.28Å; F12-F16 AromaticContact CE1-CZ 3.9Å; F12-F16 HydrophobicContact CE1-CZ 3.9Å; F12-F16 HydrophobicContact CE2-CD2 4.2Å; F12-F16 AromaticContact CE2-CE2 3.43Å; F12-F16 HydrophobicContact CE2-CE2 3.43Å; F12-F16 VanDerWaalsContact CE2-CE2 3.43Å; F12-F16 HydrophobicContact CE2-CZ 4.24Å; F12-F16 AromaticContact CG-CD2 3.99Å; F12-F16 HydrophobicContact CG-CD2 3.99Å; F12-F16 HydrophobicContact CG-CE2 4.06Å; F12-F16 AromaticContact CZ-CD2 3.78Å; F12-F16 HydrophobicContact CZ-CD2 3.78Å; F12-F16 AromaticContact CZ-CE2 3.05Å; F12-F16 HydrophobicContact CZ-CE2 3.05Å; F12-F16 AromaticContact CZ-CZ 3.6Å; F12-F16 HydrophobicContact CZ-CZ 3.6Å; F12-F16 WeakPolarHBondContact O-CD2 2.94Å; F12-F16 PolarHBondContact O-N 3.48Å
13F67.4Low58.9Low151 Ų151110.9 Ų110.966%0.66254%0.54SS*.Hα-helixtrans-64.1-43.1179.4-152.1-86.9000112.1S9 L10 S17S9-F13 WeakPolarHBondContact O-CB 3.11Å; S9-F13 PolarHBondContact O-N 3.41Å; L10-F13 PolarHBondContact O-N 2.76Å; F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 3Å; F13-S17 PolarHBondContact O-OG 3.07Å
14F65.4Low57Low140 Ų140110.5 Ų110.561%0.61454%0.539SS*.Hα-helixtrans-69.1-38.1176.2-77.6-67000112.6L10 F11 F12 Y18L10-F14 HydrophobicContact CB-CD2 4.48Å; L10-F14 HydrophobicContact CD2-CD2 4.38Å; L10-F14 HydrophobicContact CD2-CE2 3.7Å; L10-F14 HydrophobicContact CG-CD2 4.48Å; L10-F14 HydrophobicContact CG-CE2 4.07Å; L10-F14 WeakPolarHBondContact O-CD2 3.41Å; L10-F14 PolarHBondContact O-N 3.4Å; F11-F14 PolarHBondContact O-N 3.49Å; F12-F14 PolarHBondContact O-N 3.38Å; F14-Y18 WeakPolarHBondContact O-CB 3.38Å; F14-Y18 PolarHBondContact O-N 3.49Å
15F60.9Low55.2Low107 Ų107112.6 Ų112.647%0.46954%0.541SS..Hα-helixtrans-67.5-44.6178.7-173-101.2000111.8F11 F12 Y18 I19F11-F15 WeakPolarHBondContact O-CB 3.33Å; F11-F15 PolarHBondContact O-N 2.91Å; F12-F15 PolarHBondContact O-N 3.19Å; F15-Y18 PolarHBondContact O-N 3.18Å; F15-I19 HydrophobicContact CD1-CD1 3.69Å; F15-I19 HydrophobicContact CE1-CD1 3.27Å; F15-I19 HydrophobicContact CE1-CG1 4.38Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.74Å; F15-I19 WeakPolarHBondContact O-CG1 3.11Å; F15-I19 PolarHBondContact O-N 3.2Å
16F48.4Very low53.6Low84 Ų84106.7 Ų106.737%0.36852%0.521SS..Hα-helixtrans-69.3-41.3175.2-84.3-91.6000111.6F12 Y18 I19 F20F12-F16 AromaticContact CD1-CD2 3.52Å; F12-F16 HydrophobicContact CD1-CD2 3.52Å; F12-F16 AromaticContact CD1-CE2 3.72Å; F12-F16 HydrophobicContact CD1-CE2 3.72Å; F12-F16 HydrophobicContact CD1-CG 4.47Å; F12-F16 HydrophobicContact CD2-CD2 4.28Å; F12-F16 AromaticContact CD2-CE2 3.92Å; F12-F16 HydrophobicContact CD2-CE2 3.92Å; F12-F16 AromaticContact CE1-CD2 3.4Å; F12-F16 HydrophobicContact CE1-CD2 3.4Å; F12-F16 VanDerWaalsContact CE1-CD2 3.4Å; F12-F16 AromaticContact CE1-CE2 3.2Å; F12-F16 HydrophobicContact CE1-CE2 3.2Å; F12-F16 HydrophobicContact CE1-CG 4.28Å; F12-F16 AromaticContact CE1-CZ 3.9Å; F12-F16 HydrophobicContact CE1-CZ 3.9Å; F12-F16 HydrophobicContact CE2-CD2 4.2Å; F12-F16 AromaticContact CE2-CE2 3.43Å; F12-F16 HydrophobicContact CE2-CE2 3.43Å; F12-F16 VanDerWaalsContact CE2-CE2 3.43Å; F12-F16 HydrophobicContact CE2-CZ 4.24Å; F12-F16 AromaticContact CG-CD2 3.99Å; F12-F16 HydrophobicContact CG-CD2 3.99Å; F12-F16 HydrophobicContact CG-CE2 4.06Å; F12-F16 AromaticContact CZ-CD2 3.78Å; F12-F16 HydrophobicContact CZ-CD2 3.78Å; F12-F16 AromaticContact CZ-CE2 3.05Å; F12-F16 HydrophobicContact CZ-CE2 3.05Å; F12-F16 AromaticContact CZ-CZ 3.6Å; F12-F16 HydrophobicContact CZ-CZ 3.6Å; F12-F16 WeakPolarHBondContact O-CD2 2.94Å; F12-F16 PolarHBondContact O-N 3.48Å; F16-Y18 VanDerWaalsContact C-N 3.28Å; F16-Y18 PolarHBondContact O-N 3.35Å; F16-I19 PolarHBondContact O-N 2.76Å; F16-F20 HydrophobicContact CB-CD2 4.41Å; F16-F20 HydrophobicContact CB-CE2 4.49Å; F16-F20 AromaticContact CD1-CE2 3.98Å; F16-F20 HydrophobicContact CD1-CE2 3.98Å; F16-F20 WeakPolarHBondContact O-CD2 3.41Å; F16-F20 PolarHBondContact O-N 3.23Å
17S48.7Very low51.2Low39 Ų39106.4 Ų106.427%0.27353%0.525SS..Hα-helixtrans-61.5-38.2174-58.90000111.4F13 F20 F21F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 3Å; F13-S17 PolarHBondContact O-OG 3.07Å; S17-F20 PolarHBondContact O-N 2.9Å; S17-F21 VanDerWaalsContact O-CB 3.24Å; S17-F21 WeakPolarHBondContact O-CB 3.11Å; S17-F21 WeakPolarHBondContact O-CD2 3.35Å; S17-F21 PolarHBondContact O-N 2.87Å
18Y47Very low48.8Very low130 Ų130111.2 Ų111.251%0.5154%0.535SS..Hα-helixtrans-63.8-45.9174-179.1-87.3000111.1F14 F15 F16 F20 Y22F14-Y18 WeakPolarHBondContact O-CB 3.38Å; F14-Y18 PolarHBondContact O-N 3.49Å; F15-Y18 PolarHBondContact O-N 3.18Å; F16-Y18 VanDerWaalsContact C-N 3.28Å; F16-Y18 PolarHBondContact O-N 3.35Å; Y18-F20 PolarHBondContact O-N 3.02Å; Y18-Y22 HydrophobicContact CD1-CD2 4.07Å; Y18-Y22 AromaticContact CD2-CD2 3.49Å; Y18-Y22 HydrophobicContact CD2-CD2 3.49Å; Y18-Y22 VanDerWaalsContact CD2-CD2 3.49Å; Y18-Y22 AromaticContact CD2-CE2 3.39Å; Y18-Y22 HydrophobicContact CD2-CE2 3.39Å; Y18-Y22 AromaticContact CE1-CD2 3.91Å; Y18-Y22 HydrophobicContact CE1-CD2 3.91Å; Y18-Y22 HydrophobicContact CE1-CE2 4.34Å; Y18-Y22 HydrophobicContact CE1-CG 4.12Å; Y18-Y22 AromaticContact CE2-CD2 3.34Å; Y18-Y22 HydrophobicContact CE2-CD2 3.34Å; Y18-Y22 HydrophobicContact CE2-CE1 4.39Å; Y18-Y22 AromaticContact CE2-CE2 2.98Å; Y18-Y22 HydrophobicContact CE2-CE2 2.98Å; Y18-Y22 HydrophobicContact CE2-CG 4.19Å; Y18-Y22 AromaticContact CE2-CZ 3.57Å; Y18-Y22 AromaticContact CG-CD2 3.85Å; Y18-Y22 HydrophobicContact CG-CD2 3.85Å; Y18-Y22 HydrophobicContact CG-CE2 4.24Å; Y18-Y22 AromaticContact CZ-CD2 3.54Å; Y18-Y22 AromaticContact CZ-CE2 3.51Å; Y18-Y22 AromaticContact CZ-CG 3.93Å; Y18-Y22 AromaticContact CZ-CZ 3.84Å; Y18-Y22 WeakPolarHBondContact O-CB 3.18Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.43Å; Y18-Y22 PolarHBondContact O-N 2.88Å
19I43.2Very low46.6Very low59 Ų59114.9 Ų114.930%0.30355%0.549SS..Hα-helixtrans-62.7-42.1176.7-71172.7000111.2F15 F16 N23F15-I19 HydrophobicContact CD1-CD1 3.69Å; F15-I19 HydrophobicContact CE1-CD1 3.27Å; F15-I19 HydrophobicContact CE1-CG1 4.38Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.74Å; F15-I19 WeakPolarHBondContact O-CG1 3.11Å; F15-I19 PolarHBondContact O-N 3.2Å; F16-I19 PolarHBondContact O-N 2.76Å; I19-N23 WeakPolarHBondContact CG2-ND2 3.24Å; I19-N23 WeakPolarHBondContact O-CB 3.44Å; I19-N23 VanDerWaalsContact O-CG 3.3Å; I19-N23 PolarHBondContact O-N 2.81Å; I19-N23 PolarHBondContact O-ND2 3.07Å
20F39Very low44.4Very low127 Ų127119.4 Ų119.456%0.55755%0.553SS**Hα-helixtrans-72.4-44.5178.8-77.1-69.2000112F16 S17 Y18 N23 D24F16-F20 HydrophobicContact CB-CD2 4.41Å; F16-F20 HydrophobicContact CB-CE2 4.49Å; F16-F20 AromaticContact CD1-CE2 3.98Å; F16-F20 HydrophobicContact CD1-CE2 3.98Å; F16-F20 WeakPolarHBondContact O-CD2 3.41Å; F16-F20 PolarHBondContact O-N 3.23Å; S17-F20 PolarHBondContact O-N 2.9Å; Y18-F20 PolarHBondContact O-N 3.02Å; F20-N23 PolarHBondContact O-N 3.19Å; F20-D24 VanDerWaalsContact O-CB 3.28Å; F20-D24 WeakPolarHBondContact O-CB 3.28Å; F20-D24 PolarHBondContact O-N 2.73Å
21F36.9Very low42Very low137 Ų137118.5 Ų118.560%0.60156%0.562SS**Hα-helixtrans-67.7-36176.5-93.6-91.7000113.1S17 H25S17-F21 VanDerWaalsContact O-CB 3.24Å; S17-F21 WeakPolarHBondContact O-CB 3.11Å; S17-F21 WeakPolarHBondContact O-CD2 3.35Å; S17-F21 PolarHBondContact O-N 2.87Å; F21-H25 WeakPolarHBondContact O-CB 3Å; F21-H25 PolarHBondContact O-CD2 3.07Å; F21-H25 VanDerWaalsContact O-CD2 3.23Å; F21-H25 PolarHBondContact O-N 2.84Å
22Y35.9Very low39.7Very low146 Ų146114.6 Ų114.657%0.57355%0.552SS**Hα-helixtrans-79.5-22.9175.5-86.3-97.4000113.2Y18 G26Y18-Y22 HydrophobicContact CD1-CD2 4.07Å; Y18-Y22 AromaticContact CD2-CD2 3.49Å; Y18-Y22 HydrophobicContact CD2-CD2 3.49Å; Y18-Y22 VanDerWaalsContact CD2-CD2 3.49Å; Y18-Y22 AromaticContact CD2-CE2 3.39Å; Y18-Y22 HydrophobicContact CD2-CE2 3.39Å; Y18-Y22 AromaticContact CE1-CD2 3.91Å; Y18-Y22 HydrophobicContact CE1-CD2 3.91Å; Y18-Y22 HydrophobicContact CE1-CE2 4.34Å; Y18-Y22 HydrophobicContact CE1-CG 4.12Å; Y18-Y22 AromaticContact CE2-CD2 3.34Å; Y18-Y22 HydrophobicContact CE2-CD2 3.34Å; Y18-Y22 HydrophobicContact CE2-CE1 4.39Å; Y18-Y22 AromaticContact CE2-CE2 2.98Å; Y18-Y22 HydrophobicContact CE2-CE2 2.98Å; Y18-Y22 HydrophobicContact CE2-CG 4.19Å; Y18-Y22 AromaticContact CE2-CZ 3.57Å; Y18-Y22 AromaticContact CG-CD2 3.85Å; Y18-Y22 HydrophobicContact CG-CD2 3.85Å; Y18-Y22 HydrophobicContact CG-CE2 4.24Å; Y18-Y22 AromaticContact CZ-CD2 3.54Å; Y18-Y22 AromaticContact CZ-CE2 3.51Å; Y18-Y22 AromaticContact CZ-CG 3.93Å; Y18-Y22 AromaticContact CZ-CZ 3.84Å; Y18-Y22 WeakPolarHBondContact O-CB 3.18Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.43Å; Y18-Y22 PolarHBondContact O-N 2.88Å; Y22-G26 WeakPolarHBondContact O-CA 3.07Å; Y22-G26 PolarHBondContact O-N 2.96Å; Y22-G26 VanDerWaalsContact O-N 3.07Å
23N34Very low37.8Very low104 Ų104116 Ų11656%0.55657%0.566SS**Hα-helixtrans-81.9-31.1169.1-78.3-57.5000112.3I19 F20 G26I19-N23 WeakPolarHBondContact CG2-ND2 3.24Å; I19-N23 WeakPolarHBondContact O-CB 3.44Å; I19-N23 VanDerWaalsContact O-CG 3.3Å; I19-N23 PolarHBondContact O-N 2.81Å; I19-N23 PolarHBondContact O-ND2 3.07Å; F20-N23 PolarHBondContact O-N 3.19Å; N23-G26 CarbonylContact O-C 3.42Å; N23-G26 PolarHBondContact O-N 2.69Å
24D34Very low35.8Very low123 Ų123114.8 Ų114.866%0.65856%0.561SS**Hα-helixtrans-76.2-25.2174.9-85.7-26.7000113F20F20-D24 VanDerWaalsContact O-CB 3.28Å; F20-D24 WeakPolarHBondContact O-CB 3.28Å; F20-D24 PolarHBondContact O-N 2.73Å
25H31Very low33.8Very low160 Ų160112.9 Ų112.974%0.74157%0.57SS**SBendtrans-95.94.5165.9-68.1-64.1000113.4F21F21-H25 WeakPolarHBondContact O-CB 3Å; F21-H25 PolarHBondContact O-CD2 3.07Å; F21-H25 VanDerWaalsContact O-CD2 3.23Å; F21-H25 PolarHBondContact O-N 2.84Å
26G27.6Very low32.1Very low25 Ų25114.3 Ų114.326%0.25858%0.58SS.*  trans-105.243.9173.900000111.2Y22 N23 Y28Y22-G26 WeakPolarHBondContact O-CA 3.07Å; Y22-G26 PolarHBondContact O-N 2.96Å; Y22-G26 VanDerWaalsContact O-N 3.07Å; N23-G26 CarbonylContact O-C 3.42Å; N23-G26 PolarHBondContact O-N 2.69Å; G26-Y28 PolarHBondContact O-N 3.34Å
27L25.2Very low31Very low134 Ų134119 Ų11970%0.70260%0.603SS**  trans-57.488.7149.3-90.4161.9000105.7T29L27-T29 PolarHBondContact O-N 2.78Å
28Y25.8Very low29.9Very low189 Ų189122.4 Ų122.474%0.74163%0.627SS**  trans-61.879.1158.1-82.9-71.6000105.9G26 W30G26-Y28 PolarHBondContact O-N 3.34Å; Y28-W30 AromaticContact CD1-CD1 3.69Å; Y28-W30 AromaticContact CD1-NE1 3.26Å; Y28-W30 VanDerWaalsContact CD1-NE1 3.26Å; Y28-W30 AromaticContact CG-NE1 3.78Å; Y28-W30 PolarHBondContact O-N 2.78Å
29T24.9Very low28.9Very low120 Ų120121.6 Ų121.674%0.73664%0.638SS**  trans-61.284.2148.751.60000104.9L27 G31L27-T29 PolarHBondContact O-N 2.78Å; T29-G31 PolarHBondContact O-N 3.44Å
30W24.4Very low28.1Very low178 Ų178122.1 Ų122.167%0.67465%0.647SS**  trans-71.776.7153.9-77.340.1000104.5Y28 C32 P55Y28-W30 AromaticContact CD1-CD1 3.69Å; Y28-W30 AromaticContact CD1-NE1 3.26Å; Y28-W30 VanDerWaalsContact CD1-NE1 3.26Å; Y28-W30 AromaticContact CG-NE1 3.78Å; Y28-W30 PolarHBondContact O-N 2.78Å; W30-C32 PolarHBondContact O-N 3.04Å; W30-C32 VanDerWaalsContact O-N 3.07Å; W30-P55 HydrophobicContact CE3-CG 3.68Å; W30-P55 HydrophobicContact CH2-CG 3.94Å; W30-P55 HydrophobicContact CZ3-CB 4.29Å; W30-P55 HydrophobicContact CZ3-CG 3.14Å
31G24Very low27.6Very low56 Ų56122.6 Ų122.658%0.57766%0.663SS**  trans-60.1111.316700000106T29 N33T29-G31 PolarHBondContact O-N 3.44Å; G31-N33 VanDerWaalsContact C-N 3.25Å; G31-N33 PolarHBondContact O-N 3.38Å
32C25.3Very low27.5Very low67 Ų67122 Ų12245%0.45367%0.67SS.*  trans-61.199.3161.5-64.10000106.2W30 F34W30-C32 PolarHBondContact O-N 3.04Å; W30-C32 VanDerWaalsContact O-N 3.07Å; C32-F34 HydrophobicContact CB-CD2 3.66Å; C32-F34 HydrophobicContact CB-CE2 3.26Å; C32-F34 HydrophobicContact CB-CZ 3.85Å; C32-F34 PolarHBondContact O-N 2.73Å
33N24.1Very low27.1Very low161 Ų161119.1 Ų119.186%0.86167%0.672SS**  trans-65.787.3165.1-85.9-23.8000107.1G31 A35G31-N33 VanDerWaalsContact C-N 3.25Å; G31-N33 PolarHBondContact O-N 3.38Å; N33-A35 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 2.78Å
34F26.1Very low26.7Very low125 Ų125119.3 Ų119.355%0.54868%0.681SS.*  trans-79.292.1162.8-67.3-72.6000107.1C32 M36C32-F34 HydrophobicContact CB-CD2 3.66Å; C32-F34 HydrophobicContact CB-CE2 3.26Å; C32-F34 HydrophobicContact CB-CZ 3.85Å; C32-F34 PolarHBondContact O-N 2.73Å; F34-M36 VanDerWaalsContact C-N 3.25Å; F34-M36 PolarHBondContact O-N 2.89Å
35A22.7Very low26.4Very low99 Ų99120 Ų12082%0.81869%0.692SS**  trans-69.390.5158.800000107.3N33 E37N33-A35 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 2.78Å; A35-E37 PolarHBondContact O-N 3.18Å
36M26.8Very low26.1Very low137 Ų137117.4 Ų117.468%0.67569%0.692SS**  trans-80.2100.8163.8-97.1178.2170.300107.5F34 S38F34-M36 VanDerWaalsContact C-N 3.25Å; F34-M36 PolarHBondContact O-N 2.89Å; M36-S38 PolarHBondContact O-N 3.47Å
37E23.6Very low26Very low184 Ų184123.5 Ų123.586%0.8672%0.718SS**  trans-54.6119.1154.2-78.9-180151.500106.9A35 P39A35-E37 PolarHBondContact O-N 3.18Å; E37-P39 WeakPolarHBondContact O-CD 3.32Å; E37-P39 VanDerWaalsContact O-N 3.14Å
38S25.5Very low26.1Very low109 Ų109122.1 Ų122.176%0.76272%0.717SS**  trans-59.9114.3174.454.40000109M36 S40M36-S38 PolarHBondContact O-N 3.47Å; S38-S40 PolarHBondContact O-N 2.94Å
39P27Very low26.1Very low114 Ų114119.5 Ų119.574%0.7472%0.721SS**  trans-67.2122.1168.926.2-29.2000107.7E37E37-P39 WeakPolarHBondContact O-CD 3.32Å; E37-P39 VanDerWaalsContact O-N 3.14Å
40S26.1Very low26Very low70 Ų70124.9 Ų124.949%0.4973%0.728SS.*  trans-44.9139.6172.649.50000111.2S38 T42S38-S40 PolarHBondContact O-N 2.94Å; S40-T42 PolarHBondContact O-N 3.39Å
41P29.3Very low26.1Very low137 Ų137122.1 Ų122.189%0.8972%0.72SS**THydrogen-bonded Turntrans-70.222-168.629.7-36.7000115.5
42T33.5Very low26.2Very low123 Ų123125.6 Ų125.676%0.75573%0.731SS**THydrogen-bonded Turntrans-126.18.8-166.842.60000115.6S40S40-T42 PolarHBondContact O-N 3.39Å
43S29.1Very low26.2Very low87 Ų87128 Ų12861%0.60875%0.746SS**SBendtrans-146.1132.5176.853.10000113.1
44S24.9Very low26.4Very low108 Ų108124.3 Ų124.376%0.75573%0.732SS**  trans-30.9142175.1-22.20000114.9S46S44-S46 PolarHBondContact O-N 2.87Å
45P27Very low26.5Very low136 Ų136122.6 Ų122.688%0.88373%0.733SS**  trans-64.4105.717927.1-32.3000110.4
46S25.8Very low26.7Very low106 Ų106122 Ų12274%0.74172%0.719SS**  trans-73.4134.6163.548.70000109.1S44S44-S46 PolarHBondContact O-N 2.87Å
47L24.2Very low26.7Very low153 Ų153119.7 Ų119.780%0.80172%0.722SS**  trans-44.2136.8-178.9-80.788.9000112.4T49L47-T49 PolarHBondContact O-N 3.36Å; L47-T49 PolarHBondContact O-OG1 2.79Å
48P27.5Very low26.8Very low106 Ų106115.5 Ų115.569%0.68871%0.708SS**  trans-61.8114.1175.825.4-32000109.3R50P48-R50 PolarHBondContact O-N 3.48Å
49T26.1Very low26.9Very low134 Ų134115.7 Ų115.782%0.82270%0.7SS**  trans-80.3108.7-174.9-16.60000108.4L47L47-T49 PolarHBondContact O-N 3.36Å; L47-T49 PolarHBondContact O-OG1 2.79Å
50R23.6Very low26.8Very low232 Ų232114.9 Ų114.988%0.87570%0.695SS**  trans59.694.8156.9-140.1179-161.5-169.74.4116.9P48P48-R50 PolarHBondContact O-N 3.48Å
51F25.8Very low26.8Very low120 Ų120115.5 Ų115.553%0.52670%0.7SS.*PPolyproline II helixtrans-71.7128.4166.4-78.5-87.2000111.8L104F51-L104 HydrophobicContact CZ-CD2 4.25Å
52T25.8Very low26.7Very low129 Ų129112.1 Ų112.179%0.79168%0.679SS**PPolyproline II helixtrans-87.7124.1163.6-120000107.9C54T52-C54 PolarHBondContact O-N 2.81Å
53P26.6Very low26.4Very low119 Ų119111.7 Ų111.777%0.77368%0.681SS**PPolyproline II helixtrans-64.3131.4-178.623.5-31000111
54C27.3Very low26.1Very low83 Ų83113.3 Ų113.356%0.56169%0.692SS**PPolyproline II helixtrans-63.2143.2169.6-77.50000110.5T52T52-C54 PolarHBondContact O-N 2.81Å
55P28.3Very low26.2Very low88 Ų88111 Ų11157%0.57168%0.675SS**PPolyproline II helixtrans-66.3143.7177.620.6-24.8000112.4W30 A57W30-P55 HydrophobicContact CE3-CG 3.68Å; W30-P55 HydrophobicContact CH2-CG 3.94Å; W30-P55 HydrophobicContact CZ3-CB 4.29Å; W30-P55 HydrophobicContact CZ3-CG 3.14Å; P55-A57 PolarHBondContact O-N 3Å
56V28.2Very low26.2Very low87 Ų87110.6 Ų110.653%0.52768%0.675SS.*PPolyproline II helixtrans-69.8121.1-174.51780000110.7V58V56-V58 HydrophobicContact CG1-CG2 4.1Å
57A26Very low26.2Very low89 Ų89111.7 Ų111.774%0.73666%0.663SS**PPolyproline II helixtrans-78.4122.5161.900000109.1P55P55-A57 PolarHBondContact O-N 3Å
58V25.6Very low26.4Very low96 Ų96110 Ų11058%0.58266%0.664SS**  trans-99.8110.7174.9179.50000107.3V56V56-V58 HydrophobicContact CG1-CG2 4.1Å
59L26.7Very low26.4Very low112 Ų112111 Ų11159%0.58666%0.658SS**  trans-85.8135.9176.4-71.8165.7000110.2S61 W67L59-S61 PolarHBondContact O-N 2.93Å; L59-W67 HydrophobicContact CD2-CH2 4.02Å; L59-W67 HydrophobicContact CD2-CZ3 3.79Å
60P25Very low26.3Very low97 Ų97110.1 Ų110.163%0.6366%0.657SS**  trans-68.2126.8175.625.6-30.2000110.3S62P60-S62 PolarHBondContact O-N 3.44Å
61S27.7Very low26.5Very low84 Ų84101.7 Ų101.759%0.58763%0.631SS**  trans-61.793.2170.455.80000109.3L59L59-S61 PolarHBondContact O-N 2.93Å
62S26.7Very low26.4Very low65 Ų65100.3 Ų100.346%0.45564%0.637SS.*  trans-113.5128.9168.855.10000108.3P60 S64 P65P60-S62 PolarHBondContact O-N 3.44Å; S62-S64 PolarHBondContact O-N 3.47Å; S62-P65 WeakPolarHBondContact O-CD 3.15Å
63S26.6Very low26.5Very low114 Ų11497.1 Ų97.180%0.79762%0.619SS**SBendtrans-58.4115.9174.349.20000109
64S23.9Very low26.4Very low122 Ų12297.4 Ų97.485%0.85361%0.612SS**  trans64.989.4171.1-46.50000114.9S62S62-S64 PolarHBondContact O-N 3.47Å
65P25.6Very low26.4Very low60 Ų6099.6 Ų99.639%0.3962%0.624SS.*  trans-137119.9147.341.3-28000112S62 W67S62-P65 WeakPolarHBondContact O-CD 3.15Å; P65-W67 VanDerWaalsContact CB-CD1 3.49Å; P65-W67 HydrophobicContact CG-CZ2 3.93Å; P65-W67 VanDerWaalsContact O-CD1 3.24Å; P65-W67 PolarHBondContact O-N 3.49Å
66S27.2Very low26.3Very low126 Ų126104.5 Ų104.588%0.88164%0.64SS**  trans-66.6107.4166.5540000108.6
67W27.2Very low26.2Very low130 Ų130103.5 Ų103.549%0.49264%0.636SS.*  trans-101.4111.4177.8-65.15.9000108.9L59 P65 F69L59-W67 HydrophobicContact CD2-CH2 4.02Å; L59-W67 HydrophobicContact CD2-CZ3 3.79Å; P65-W67 VanDerWaalsContact CB-CD1 3.49Å; P65-W67 HydrophobicContact CG-CZ2 3.93Å; P65-W67 VanDerWaalsContact O-CD1 3.24Å; P65-W67 PolarHBondContact O-N 3.49Å; W67-F69 HydrophobicContact CB-CE2 4.07Å; W67-F69 HydrophobicContact CE3-CE2 4.33Å; W67-F69 HydrophobicContact CE3-CZ 4.01Å
68S27.5Very low26.4Very low118 Ų118105.7 Ų105.783%0.82564%0.641SS**  trans-98.2115.8168.258.60000108.5
69F26.9Very low26.5Very low127 Ų127104.3 Ų104.356%0.55764%0.635SS**PPolyproline II helixtrans-89.7126.6168-66.4-85.5000108.6W67W67-F69 HydrophobicContact CB-CE2 4.07Å; W67-F69 HydrophobicContact CE3-CE2 4.33Å; W67-F69 HydrophobicContact CE3-CZ 4.01Å
70S24.7Very low26.6Very low115 Ų115102.6 Ų102.680%0.80463%0.632SS**PPolyproline II helixtrans-98.9116.7172.663.20000109.5
71T27.6Very low26.8Very low54 Ų54102.9 Ų102.933%0.33163%0.625SS.*PPolyproline II helixtrans-66.8127.7166.533.60000110.3E81T71-E81 HydrophobicContact CG2-CB 3.11Å; T71-E81 HydrophobicContact CG2-CG 3.79Å; T71-E81 WeakPolarHBondContact CG2-OE2 3.16Å
72S24.6Very low26.9Very low92 Ų92101.4 Ų101.464%0.64361%0.61SS**  trans-93.4113.9159.282.40000108.6M74S72-M74 PolarHBondContact O-N 3.17Å; S72-M74 VanDerWaalsContact O-N 3.14Å
73C26.1Very low27.2Very low61 Ų61100 Ų10041%0.41260%0.601SS.*  trans-65.9109.7170.1-68.50000109.7C127C73-C127 PolarHBondContact SG-SG 2.92Å
74M24.9Very low27.4Very low126 Ų12696.2 Ų96.262%0.62157%0.573SS**  trans-78.1131.5163.1-79.4-82-158.100108.6S72 E76 S77S72-M74 PolarHBondContact O-N 3.17Å; S72-M74 VanDerWaalsContact O-N 3.14Å; M74-E76 PolarHBondContact O-N 2.95Å; M74-S77 WeakPolarHBondContact CB-OG 3.21Å; M74-S77 PolarHBondContact O-N 3.39Å
75P26.8Very low27.8Very low128 Ų12893 Ų9383%0.83155%0.55SS*.THydrogen-bonded Turntrans-67.4-5.5-171.721.7-29.8000115.5
76E27.2Very low28.1Very low192 Ų19294.6 Ų94.690%0.89755%0.551SS**THydrogen-bonded Turntrans-129.39.1-174.6-64-174.5164.600114.2M74M74-E76 PolarHBondContact O-N 2.95Å
77S26.1Very low28.2Very low65 Ų6596.3 Ų96.346%0.45554%0.543SS..SBendtrans-138.9124.318059.90000110.7M74 C79M74-S77 WeakPolarHBondContact CB-OG 3.21Å; M74-S77 PolarHBondContact O-N 3.39Å; S77-C79 PolarHBondContact O-N 3.38Å; S77-C79 PolarHBondContact O-SG 3.38Å
78T29.9Very low28.3Very low135 Ų13595.7 Ų95.783%0.82855%0.549SS*.  trans-53.299174.242.40000111.1
79C27.6Very low28.2Very low67 Ų6794.6 Ų94.645%0.45354%0.538SS..  trans-85.6114.4172.8-67.70000109.6S77S77-C79 PolarHBondContact O-N 3.38Å; S77-C79 PolarHBondContact O-SG 3.38Å
80S29.2Very low28.3Very low76 Ų7696.6 Ų96.653%0.53155%0.546SS..  trans-122.296.8161.3-60000107
81E28.3Very low28.4Very low104 Ų10498.2 Ų98.249%0.48655%0.546SS..  trans-103.1123.1175.7-126.5178.6-124.800107.2T71T71-E81 HydrophobicContact CG2-CB 3.11Å; T71-E81 HydrophobicContact CG2-CG 3.79Å; T71-E81 WeakPolarHBondContact CG2-OE2 3.16Å
82I30.9Very low28.4Very low52 Ų52100.4 Ų100.427%0.26756%0.564SS.*  trans-89.5108.9177.8-60.1-176.7000107.3T84 L103 F110I82-T84 HydrophobicContact CG2-CG2 3.93Å; I82-T84 PolarHBondContact O-N 2.9Å; I82-L103 HydrophobicContact CD1-CD2 3.5Å; I82-L103 VanDerWaalsContact CD1-CD2 3.5Å; I82-L103 HydrophobicContact CG1-CD2 4.28Å; I82-F110 HydrophobicContact CD1-CB 3.87Å; I82-F110 HydrophobicContact CD1-CD1 4.1Å; I82-F110 HydrophobicContact CD1-CG 4.07Å
83S31.8Very low28.5Very low37 Ų37100.7 Ų100.726%0.25957%0.566SS.*EExtended strand (participates in β ladder)trans-78.7112.5168.759.30000109.6S123S83-S123 PolarHBondContact OG-O 2.83Å; S83-S123 PolarHBondContact OG-OG 3.45Å
84T32.2Very low28.5Very low34 Ų34103.1 Ų103.121%0.20958%0.583CS.*EExtended strand (participates in β ladder)trans-108.2111.3168.656.80000109.8I82 F86 I101I82-T84 HydrophobicContact CG2-CG2 3.93Å; I82-T84 PolarHBondContact O-N 2.9Å; T84-F86 WeakPolarHBondContact OG1-CE2 3.42Å; T84-I101 HydrophobicContact CG2-CD1 3.62Å
85S31.7Very low28.7Very low53 Ų53102.3 Ų102.337%0.37158%0.581SS.*EExtended strand (participates in β ladder)trans-93.4116.5167.557.40000109.2
86F31.5Very low28.7Very low95 Ų95101.5 Ų101.542%0.41757%0.569SS.*  trans-91117171.6-60.4-79.8000108.6T84 D88 F117T84-F86 WeakPolarHBondContact OG1-CE2 3.42Å; F86-D88 PolarHBondContact O-N 2.93Å; F86-F117 AromaticContact CD1-CE1 3.81Å; F86-F117 HydrophobicContact CD1-CE1 3.81Å; F86-F117 HydrophobicContact CD1-CE2 4.03Å; F86-F117 AromaticContact CD1-CZ 3.34Å; F86-F117 HydrophobicContact CD1-CZ 3.34Å; F86-F117 HydrophobicContact CE1-CE1 4.28Å; F86-F117 AromaticContact CE1-CE2 3.66Å; F86-F117 HydrophobicContact CE1-CE2 3.66Å; F86-F117 AromaticContact CE1-CZ 3.38Å; F86-F117 HydrophobicContact CE1-CZ 3.38Å; F86-F117 HydrophobicContact CG-CZ 4.41Å; F86-F117 HydrophobicContact CZ-CZ 4.47Å
87F28.9Very low28.8Very low162 Ų16296 Ų9671%0.71154%0.543SS*.  trans-88.7103169.5-76.9-82.6000108.4T89F87-T89 PolarHBondContact O-N 3.19Å
88D29.3Very low29Very low117 Ų117100.4 Ų100.463%0.62655%0.549SS*.  trans-78.772.9171.2-1392.1000108.9F86 F90 F97F86-D88 PolarHBondContact O-N 2.93Å; D88-F90 PolarHBondContact O-N 2.79Å; D88-F97 WeakPolarHBondContact OD1-CE2 3.49Å; D88-F97 VanDerWaalsContact OD1-CZ 3.31Å; D88-F97 WeakPolarHBondContact OD1-CZ 3.32Å; D88-F97 WeakPolarHBondContact OD2-CE2 3.12Å
89T26.6Very low29.1Very low95 Ų9595.9 Ų95.958%0.58352%0.523SS*.  trans-78.494.7159.110.10000105.5F87F87-T89 PolarHBondContact O-N 3.19Å
90F28.5Very low29.2Very low169 Ų16999.6 Ų99.674%0.74153%0.528SS*.  trans167.6102.4136.6-83-63.7000110.2D88D88-F90 PolarHBondContact O-N 2.79Å
91N26.2Very low29.4Very low148 Ų14899.2 Ų99.279%0.79152%0.519SS*.  trans4.9124.9147.2-134.7-0000117.5
92S27.3Very low29.5Very low101 Ų10197.2 Ų97.271%0.70652%0.515SS*.SBendtrans5878.6147.6680000117.5
93S27.4Very low29.4Very low98 Ų9899.8 Ų99.869%0.68553%0.529SS*.  trans-178151.2134.734.20000108.9D95S93-D95 PolarHBondContact O-N 2.94Å
94S26.9Very low29.3Very low111 Ų111101.3 Ų101.378%0.77653%0.534SS*.  trans-67.839.6-171.447.70000115.2L96S94-L96 PolarHBondContact O-N 3.12Å; S94-L96 VanDerWaalsContact O-N 3.16Å
95D28.5Very low29.2Very low110 Ų110101.5 Ų101.559%0.58854%0.537SS*.  trans-79.9104.4-179.2-77.3-18.4000109.8S93 F97S93-D95 PolarHBondContact O-N 2.94Å; D95-F97 VanDerWaalsContact O-CD2 3.31Å; D95-F97 WeakPolarHBondContact O-CD2 3.34Å; D95-F97 PolarHBondContact O-N 3.21Å
96L27.9Very low29.1Very low110 Ų110103.7 Ų103.758%0.57654%0.544SS*.  trans-5895.8170.5-77.8152.6000109.2S94 R98S94-L96 PolarHBondContact O-N 3.12Å; S94-L96 VanDerWaalsContact O-N 3.16Å; L96-R98 PolarHBondContact O-N 3.26Å; L96-R98 VanDerWaalsContact O-N 3.11Å
97F28.6Very low29.3Very low78 Ų78105.1 Ų105.134%0.34256%0.557SS.*  trans-62.4112.3169.9-76.7-84.5000109.9D88 D95 S116 F117D88-F97 WeakPolarHBondContact OD1-CE2 3.49Å; D88-F97 VanDerWaalsContact OD1-CZ 3.31Å; D88-F97 WeakPolarHBondContact OD1-CZ 3.32Å; D88-F97 WeakPolarHBondContact OD2-CE2 3.12Å; D95-F97 VanDerWaalsContact O-CD2 3.31Å; D95-F97 WeakPolarHBondContact O-CD2 3.34Å; D95-F97 PolarHBondContact O-N 3.21Å; F97-S116 WeakPolarHBondContact CE1-OG 3.36Å; F97-F117 HydrophobicContact CD1-CE1 4.08Å; F97-F117 HydrophobicContact CE1-CE1 4.24Å
98R29Very low29.4Very low157 Ų157106.2 Ų106.259%0.59256%0.556SS**  trans-102.1104.8168.4-78.2-176.9175.9-175.8-0.3108.7L96L96-R98 PolarHBondContact O-N 3.26Å; L96-R98 VanDerWaalsContact O-N 3.11Å
99S31.9Very low29.4Very low39 Ų39101.6 Ų101.627%0.27353%0.533SS..  trans-103.8129170.6-46.10000109.7F113 F117S99-F113 VanDerWaalsContact CA-O 3.26Å; S99-F113 WeakPolarHBondContact CA-O 3.15Å; S99-F117 WeakPolarHBondContact OG-CZ 3.34Å
100R30.9Very low29.8Very low146 Ų14698.4 Ų98.455%0.55151%0.511SS*.EExtended strand (participates in β ladder)trans-104.7131.7169.6-59.7177.1-178.8172.31.3108.5I112 F113R100-I112 WeakPolarHBondContact O-CA 3.38Å; R100-F113 HydrophobicContact CB-CB 3.99Å; R100-F113 HydrophobicContact CB-CD2 3.71Å; R100-F113 HydrophobicContact CB-CG 4.2Å; R100-F113 PolarHBondContact N-O 3.47Å; R100-F113 PolarHBondContact O-N 3.46Å
101I33.4Very low30.1Very low68 Ų6891.1 Ų91.135%0.34948%0.481SS..EExtended strand (participates in β ladder)trans-116.4111.6169.8-57.9172.1000106.7T84 S111T84-I101 HydrophobicContact CG2-CD1 3.62Å; I101-S111 WeakPolarHBondContact CA-O 3.1Å
102C29.6Very low30.6Very low61 Ų6185.5 Ų85.541%0.41245%0.45SS..EExtended strand (participates in β ladder)trans-101.9114.5173.7-64.70000108.7F110 S111C102-F110 WeakPolarHBondContact O-CA 3.24Å; C102-S111 PolarHBondContact N-O 3.48Å; C102-S111 PolarHBondContact O-N 2.97Å
103L30.1Very low30.9Very low107 Ų10784.1 Ų84.156%0.5643%0.432SS*.EExtended strand (participates in β ladder)trans-80.4116167.1-74.9159.2000108.2I82I82-L103 HydrophobicContact CD1-CD2 3.5Å; I82-L103 VanDerWaalsContact CD1-CD2 3.5Å; I82-L103 HydrophobicContact CG1-CD2 4.28Å
104L28.5Very low31.2Very low68 Ų6881.2 Ų81.236%0.35641%0.411SS..  trans-80.2141.2172.7-76.7151.9000108.9F51 D106 N107 S109F51-L104 HydrophobicContact CZ-CD2 4.25Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-N107 PolarHBondContact O-N 3.28Å; L104-S109 VanDerWaalsContact CB-OG 3.24Å; L104-S109 WeakPolarHBondContact CB-OG 3.49Å; L104-S109 WeakPolarHBondContact CD1-OG 3.34Å; L104-S109 PolarHBondContact N-O 2.94Å; L104-S109 VanDerWaalsContact N-O 3.12Å
105S29.9Very low31.4Very low39 Ų3983 Ų8327%0.27341%0.412SS..THydrogen-bonded Turntrans-53.1-9-171.354.90000116.4
106D30.8Very low31.6Very low98 Ų9880.8 Ų80.852%0.52441%0.406SS..THydrogen-bonded Turntrans-100.211.5-169.2-59.3-3.5000112.3L104 R108L104-D106 PolarHBondContact O-N 3.46Å; D106-R108 HydrophobicContact CB-CB 4.35Å; D106-R108 WeakPolarHBondContact O-CB 3.42Å; D106-R108 WeakPolarHBondContact O-CD 3.32Å; D106-R108 WeakPolarHBondContact O-CG 3.44Å; D106-R108 PolarHBondContact O-N 3.46Å
107N35.6Very low31.9Very low126 Ų12677.6 Ų77.667%0.67439%0.387SS*.SBendtrans52.415.5-175.3-94.8-8.7000114L104L104-N107 PolarHBondContact O-N 3.28Å
108R30Very low32Very low184 Ų18479 Ų7969%0.69440%0.402SS*.SBendtrans-121.9-4.5-165.7-80.4168.3-173.5-156.82.4113.4D106 L155D106-R108 HydrophobicContact CB-CB 4.35Å; D106-R108 WeakPolarHBondContact O-CB 3.42Å; D106-R108 WeakPolarHBondContact O-CD 3.32Å; D106-R108 WeakPolarHBondContact O-CG 3.44Å; D106-R108 PolarHBondContact O-N 3.46Å; R108-L155 WeakPolarHBondContact O-CB 3.15Å; R108-L155 WeakPolarHBondContact O-CD1 3.19Å; R108-L155 WeakPolarHBondContact O-CG 3.46Å
109S30.8Very low32.1Very low20 Ų2079.8 Ų79.814%0.1441%0.406CS..  trans-152.7138.2-179.236.80000112.8L104L104-S109 VanDerWaalsContact CB-OG 3.24Å; L104-S109 WeakPolarHBondContact CB-OG 3.49Å; L104-S109 WeakPolarHBondContact CD1-OG 3.34Å; L104-S109 PolarHBondContact N-O 2.94Å; L104-S109 VanDerWaalsContact N-O 3.12Å
110F35Very low32.2Very low29 Ų2981.8 Ų81.813%0.12741%0.41CS..EExtended strand (participates in β ladder)trans-126.6144.6166.566.4-87.1000107.8I82 C102 I112 F122 I124I82-F110 HydrophobicContact CD1-CB 3.87Å; I82-F110 HydrophobicContact CD1-CD1 4.1Å; I82-F110 HydrophobicContact CD1-CG 4.07Å; C102-F110 WeakPolarHBondContact O-CA 3.24Å; F110-I112 HydrophobicContact CD2-CD1 4.17Å; F110-I112 HydrophobicContact CD2-CG1 3.87Å; F110-I112 HydrophobicContact CE2-CD1 3.81Å; F110-I112 HydrophobicContact CE2-CG1 3.98Å; F110-F122 HydrophobicContact CZ-CD1 4.32Å; F110-F122 HydrophobicContact CZ-CD2 4.17Å; F110-F122 HydrophobicContact CZ-CE1 4.36Å; F110-F122 HydrophobicContact CZ-CE2 4.21Å; F110-F122 HydrophobicContact CZ-CG 4.23Å; F110-F122 HydrophobicContact CZ-CZ 4.31Å; F110-I124 HydrophobicContact CE1-CD1 4.48Å
111S33.3Very low32.3Very low15 Ų1577.6 Ų77.611%0.10540%0.404CS..EExtended strand (participates in β ladder)trans-118.1131.2170.339.50000108.6I101 C102 F113I101-S111 WeakPolarHBondContact CA-O 3.1Å; C102-S111 PolarHBondContact N-O 3.48Å; C102-S111 PolarHBondContact O-N 2.97Å; S111-F113 WeakPolarHBondContact OG-CE2 3.44Å
112I37.4Very low32.4Very low30 Ų3077.5 Ų77.515%0.15440%0.401CS..EExtended strand (participates in β ladder)trans-104.9119.9173.3-56.8178000106.7R100 F110 F117R100-I112 WeakPolarHBondContact O-CA 3.38Å; F110-I112 HydrophobicContact CD2-CD1 4.17Å; F110-I112 HydrophobicContact CD2-CG1 3.87Å; F110-I112 HydrophobicContact CE2-CD1 3.81Å; F110-I112 HydrophobicContact CE2-CG1 3.98Å; I112-F117 HydrophobicContact CG2-CE2 4.21Å
113F32.8Very low32.4Very low72 Ų7276.9 Ų76.932%0.31640%0.397SS..EExtended strand (participates in β ladder)trans-101.3135.2172.6-60.5-93.2000109.2S99 R100 S111S99-F113 VanDerWaalsContact CA-O 3.26Å; S99-F113 WeakPolarHBondContact CA-O 3.15Å; R100-F113 HydrophobicContact CB-CB 3.99Å; R100-F113 HydrophobicContact CB-CD2 3.71Å; R100-F113 HydrophobicContact CB-CG 4.2Å; R100-F113 PolarHBondContact N-O 3.47Å; R100-F113 PolarHBondContact O-N 3.46Å; S111-F113 WeakPolarHBondContact OG-CE2 3.44Å
114S34.3Very low32.5Very low37 Ų3775.4 Ų75.426%0.25939%0.389SS..  trans-153.2139.5169.9-176.10000111S116 F117S114-S116 PolarHBondContact O-N 2.93Å; S114-S116 PolarHBondContact OG-N 3.39Å; S114-F117 WeakPolarHBondContact OG-CD2 3.4Å; S114-F117 WeakPolarHBondContact OG-CE2 3.38Å; S114-F117 VanDerWaalsContact OG-CG 3.25Å; S114-F117 WeakPolarHBondContact OG-CG 3.26Å; S114-F117 PolarHBondContact OG-N 3.48Å
115D31.4Very low32.5Very low148 Ų14875 Ų7579%0.79139%0.392SS*.SBendtrans-81.9-6.2177.8-58-32.8000111.1
116S32.6Very low32.5Very low64 Ų6476.9 Ų76.945%0.44841%0.405SS..SBendtrans-159.235.6-165.548.20000116.8F97 S114F97-S116 WeakPolarHBondContact CE1-OG 3.36Å; S114-S116 PolarHBondContact O-N 2.93Å; S114-S116 PolarHBondContact OG-N 3.39Å
117F34.9Very low32.3Very low44 Ų4475.9 Ų75.919%0.19341%0.405CS..  trans-91.4127.7176-73.5-42.4000115.2F86 F97 S99 I112 S114 S145F86-F117 AromaticContact CD1-CE1 3.81Å; F86-F117 HydrophobicContact CD1-CE1 3.81Å; F86-F117 HydrophobicContact CD1-CE2 4.03Å; F86-F117 AromaticContact CD1-CZ 3.34Å; F86-F117 HydrophobicContact CD1-CZ 3.34Å; F86-F117 HydrophobicContact CE1-CE1 4.28Å; F86-F117 AromaticContact CE1-CE2 3.66Å; F86-F117 HydrophobicContact CE1-CE2 3.66Å; F86-F117 AromaticContact CE1-CZ 3.38Å; F86-F117 HydrophobicContact CE1-CZ 3.38Å; F86-F117 HydrophobicContact CG-CZ 4.41Å; F86-F117 HydrophobicContact CZ-CZ 4.47Å; F97-F117 HydrophobicContact CD1-CE1 4.08Å; F97-F117 HydrophobicContact CE1-CE1 4.24Å; S99-F117 WeakPolarHBondContact OG-CZ 3.34Å; I112-F117 HydrophobicContact CG2-CE2 4.21Å; S114-F117 WeakPolarHBondContact OG-CD2 3.4Å; S114-F117 WeakPolarHBondContact OG-CE2 3.38Å; S114-F117 VanDerWaalsContact OG-CG 3.25Å; S114-F117 WeakPolarHBondContact OG-CG 3.26Å; S114-F117 PolarHBondContact OG-N 3.48Å; F117-S145 PolarHBondContact O-OG 3.34Å
118T30.8Very low31.9Very low106 Ų10674.3 Ų74.365%0.6540%0.4SS*.SBendtrans-95.6-24.9164.7-13.60000112.2
119Y29.5Very low31.7Very low175 Ų17568.9 Ų68.969%0.68639%0.389SS*.  trans-147.1139.6179.8-67.1-82.8000110.8
120F35.3Very low31.5Very low80 Ų8077.9 Ų77.935%0.35142%0.421SS..  trans-135139.416865.8-85.4000108.7F122 M143F120-F122 HydrophobicContact CD2-CD1 4.13Å; F120-F122 HydrophobicContact CE2-CD1 4.13Å; F120-F122 HydrophobicContact CE2-CE1 4.11Å; F120-M143 HydrophobicContact CD2-CE 4.09Å; F120-M143 HydrophobicContact CE1-CB 3.67Å; F120-M143 HydrophobicContact CE1-CE 4.02Å; F120-M143 HydrophobicContact CE1-CG 4.43Å; F120-M143 HydrophobicContact CE2-CE 3.35Å; F120-M143 HydrophobicContact CZ-CB 3.6Å; F120-M143 HydrophobicContact CZ-CE 3.33Å; F120-M143 HydrophobicContact CZ-CG 3.98Å; F120-M143 HydrophobicContact CZ-SD 4.25Å
121S33Very low31.2Very low59 Ų5980.8 Ų80.841%0.41344%0.444SS..EExtended strand (participates in β ladder)trans-126.7131169.464.50000108
122F34.9Very low30.9Very low66 Ų6686.9 Ų86.929%0.28947%0.471SS..EExtended strand (participates in β ladder)trans-121.1143.1171.463.9-90000109.3F110 F120 I124F110-F122 HydrophobicContact CZ-CD1 4.32Å; F110-F122 HydrophobicContact CZ-CD2 4.17Å; F110-F122 HydrophobicContact CZ-CE1 4.36Å; F110-F122 HydrophobicContact CZ-CE2 4.21Å; F110-F122 HydrophobicContact CZ-CG 4.23Å; F110-F122 HydrophobicContact CZ-CZ 4.31Å; F120-F122 HydrophobicContact CD2-CD1 4.13Å; F120-F122 HydrophobicContact CE2-CD1 4.13Å; F120-F122 HydrophobicContact CE2-CE1 4.11Å; F122-I124 HydrophobicContact CD2-CD1 3.96Å; F122-I124 HydrophobicContact CD2-CG1 3.99Å; F122-I124 HydrophobicContact CE2-CD1 3.88Å; F122-I124 HydrophobicContact CE2-CG1 4.35Å
123S29.6Very low30.4Very low48 Ų4890.4 Ų90.434%0.33650%0.498SS..EExtended strand (participates in β ladder)trans-115.6130.8172.3126.60000107.2S83S83-S123 PolarHBondContact OG-O 2.83Å; S83-S123 PolarHBondContact OG-OG 3.45Å
124I31.4Very low30Very low76 Ų7696.3 Ų96.339%0.3952%0.524SS..  trans-115.7115.3172.6-61.3171.3000106.2F110 F122F110-I124 HydrophobicContact CE1-CD1 4.48Å; F122-I124 HydrophobicContact CD2-CD1 3.96Å; F122-I124 HydrophobicContact CD2-CG1 3.99Å; F122-I124 HydrophobicContact CE2-CD1 3.88Å; F122-I124 HydrophobicContact CE2-CG1 4.35Å
125S29Very low29.5Very low59 Ų5999.9 Ų99.941%0.41354%0.544SS..  trans-96.7130.2170.259.10000109
126S29.5Very low29.3Very low78 Ų7899.5 Ų99.555%0.54554%0.542SS..  trans-118124.9177.5164.80000108.6
127C27.3Very low29.1Very low78 Ų78103.2 Ų103.253%0.52756%0.556SS.*  trans-87.3104.9168.2-78.10000108.9C73 S129C73-C127 PolarHBondContact SG-SG 2.92Å; C127-S129 PolarHBondContact O-N 3.02Å
128V27.4Very low28.6Very low93 Ų93107 Ų10756%0.56458%0.578SS**  trans-86110.2175.4-177.10000109
129S25.4Very low28.4Very low69 Ų69104.6 Ų104.648%0.48357%0.565SS.*  trans-76.4139.6167.579.60000109.9C127 S131C127-S129 PolarHBondContact O-N 3.02Å; S129-S131 PolarHBondContact O-N 3.44Å
130R26.7Very low28.3Very low210 Ų210101.5 Ų101.579%0.79256%0.561SS**THydrogen-bonded Turntrans-60.48.3-168.8-89.8-176.3172.6165.62.4116.9L174R130-L174 PolarHBondContact NH2-O 3.07Å
131S27.8Very low28Very low90 Ų90102.1 Ų102.163%0.62956%0.563SS**THydrogen-bonded Turntrans-120.41.4-17253.90000115.3S129S129-S131 PolarHBondContact O-N 3.44Å
132H27.1Very low27.7Very low143 Ų143104 Ų10466%0.66258%0.576SS**SBendtrans-123119.9177.8-68.5-77.8000111.7F134H132-F134 PolarHBondContact O-N 2.95Å
133S26.7Very low27.3Very low104 Ų104103.1 Ų103.173%0.72757%0.574SS**  trans-37.7129.6174.346.60000113.3V135S133-V135 VanDerWaalsContact C-N 3.27Å; S133-V135 PolarHBondContact O-N 2.97Å
134F25Very low27.1Very low196 Ų196104.1 Ų104.186%0.8658%0.577SS**SBendtrans-41.370.8169.6-119.3-98.2000114.3H132H132-F134 PolarHBondContact O-N 2.95Å
135V24.8Very low26.9Very low112 Ų112104.1 Ų104.168%0.67959%0.585SS**  trans-149.574.7175.6-168.60000109.4S133S133-V135 VanDerWaalsContact C-N 3.27Å; S133-V135 PolarHBondContact O-N 2.97Å
136N27.1Very low26.6Very low139 Ų139107.6 Ų107.674%0.74360%0.598SS**  trans-151.184.4164.5-92.1-36.2000107.8
137L26.9Very low26.4Very low142 Ų142109.5 Ų109.574%0.74361%0.606SS**  68.664.9101.3-83.5156000112.5
138L25.6Very low26.2Very low125 Ų125113.6 Ų113.665%0.65462%0.623SS**  trans-132.890.3163.1-84.7163.9000107.9
139S25.7Very low26.1Very low55 Ų55113.4 Ų113.439%0.38563%0.625SS.*  trans-150.9116.5172.161.30000111.4
140N27.5Very low26.1Very low110 Ų110121.2 Ų121.259%0.58865%0.645SS**  trans72.1102.5157.6-57.7-22.1000118.4
141F28.9Very low26.2Very low92 Ų92114.7 Ų114.740%0.40463%0.625SS.*  trans-130123.9146.2-102.3-90000110.1M143 A153 L155F141-M143 HydrophobicContact CD1-CG 4.11Å; F141-M143 HydrophobicContact CD1-SD 4.47Å; F141-A153 HydrophobicContact CE1-CB 3.75Å; F141-A153 HydrophobicContact CZ-CB 3.91Å; F141-L155 HydrophobicContact CE2-CD1 4.1Å; F141-L155 HydrophobicContact CE2-CD2 4.12Å; F141-L155 HydrophobicContact CE2-CG 3.9Å; F141-L155 HydrophobicContact CZ-CD1 4.46Å; F141-L155 HydrophobicContact CZ-CG 4.31Å
142S26.4Very low26.2Very low98 Ų98116.2 Ų116.269%0.68563%0.625SS**  trans-105.2133.1156.7660000107.5
143M28.5Very low26.3Very low49 Ų49110.3 Ų110.324%0.24160%0.6CS.*  trans-128.2137.2166.5-62.8-171.7-94.700110.2F120 F141 I151F120-M143 HydrophobicContact CD2-CE 4.09Å; F120-M143 HydrophobicContact CE1-CB 3.67Å; F120-M143 HydrophobicContact CE1-CE 4.02Å; F120-M143 HydrophobicContact CE1-CG 4.43Å; F120-M143 HydrophobicContact CE2-CE 3.35Å; F120-M143 HydrophobicContact CZ-CB 3.6Å; F120-M143 HydrophobicContact CZ-CE 3.33Å; F120-M143 HydrophobicContact CZ-CG 3.98Å; F120-M143 HydrophobicContact CZ-SD 4.25Å; F141-M143 HydrophobicContact CD1-CG 4.11Å; F141-M143 HydrophobicContact CD1-SD 4.47Å; M143-I151 HydrophobicContact SD-CG2 3.92Å
144V24.7Very low26.3Very low68 Ų68114.7 Ų114.741%0.41260%0.601SS.*  trans-116.4122.8-179.9175.80000106.1I190 F192V144-I190 HydrophobicContact CG2-CD1 3.91Å; V144-F192 HydrophobicContact CB-CZ 4.23Å; V144-F192 HydrophobicContact CG1-CE1 4.42Å; V144-F192 HydrophobicContact CG1-CE2 3.77Å; V144-F192 HydrophobicContact CG1-CZ 3.45Å; V144-F192 VanDerWaalsContact CG1-CZ 3.45Å; V144-F192 HydrophobicContact CG2-CE2 4.23Å; V144-F192 HydrophobicContact CG2-CZ 3.68Å
145S26Very low26.4Very low77 Ų77109.5 Ų109.554%0.53858%0.582SS.*  trans-88.2122.4176.4-179.90000109.2F117F117-S145 PolarHBondContact O-OG 3.34Å
146L24.1Very low26.4Very low131 Ų131107 Ų10769%0.68657%0.57SS**  trans-122.1129.5161.3-76.6166.1000106.7
147T24.8Very low26.2Very low118 Ų118105.9 Ų105.972%0.72457%0.572SS**THydrogen-bonded Turntrans-36.7140.4-176.744.80000114.4S149T147-S149 PolarHBondContact O-N 3.5Å; T147-S149 PolarHBondContact O-OG 3.4Å
148N23.8Very low26.1Very low165 Ų165106.6 Ų106.688%0.88257%0.574SS**THydrogen-bonded Turntrans65.920.3167.8-63.6-18.5000118.9
149S24.2Very low25.9Very low88 Ų88112.2 Ų112.262%0.61559%0.588SS**  trans-137.2138.3-172.3-49.30000113.5T147T147-S149 PolarHBondContact O-N 3.5Å; T147-S149 PolarHBondContact O-OG 3.4Å
150W26.4Very low26Very low234 Ų234116.1 Ų116.189%0.88660%0.598SS**  trans-72.6140.4-167.3-47.1-1.1000110.8
151I28Very low25.8Very low73 Ų73116.1 Ų116.137%0.37461%0.607SS.*  trans-107.4113.6177.8-58.7176.2000108.9M143M143-I151 HydrophobicContact SD-CG2 3.92Å
152I28.5Very low25.5Very low122 Ų122120.1 Ų120.163%0.62663%0.627SS**  trans-104.7107169.1-50.8178.4000107.4W154I152-W154 VanDerWaalsContact CG2-CD1 3.4Å; I152-W154 PolarHBondContact O-N 3.4Å
153A29Very low25.5Very low18 Ų18120.1 Ų120.115%0.14962%0.618CS.*  trans-80.6112170.700000109.4F141F141-A153 HydrophobicContact CE1-CB 3.75Å; F141-A153 HydrophobicContact CZ-CB 3.91Å
154W26.8Very low25.3Very low196 Ų196122.5 Ų122.574%0.74264%0.64SS**  trans-95112.9172.6-88.163.4000110I152 S156I152-W154 VanDerWaalsContact CG2-CD1 3.4Å; I152-W154 PolarHBondContact O-N 3.4Å; W154-S156 PolarHBondContact O-N 2.9Å
155L27.8Very low25.4Very low88 Ų88126 Ų12646%0.46166%0.655SS.*  trans-91.881.9163.6-82129000108.2R108 F141R108-L155 WeakPolarHBondContact O-CB 3.15Å; R108-L155 WeakPolarHBondContact O-CD1 3.19Å; R108-L155 WeakPolarHBondContact O-CG 3.46Å; F141-L155 HydrophobicContact CE2-CD1 4.1Å; F141-L155 HydrophobicContact CE2-CD2 4.12Å; F141-L155 HydrophobicContact CE2-CG 3.9Å; F141-L155 HydrophobicContact CZ-CD1 4.46Å; F141-L155 HydrophobicContact CZ-CG 4.31Å
156S24.5Very low25.3Very low60 Ų60128.9 Ų128.942%0.4267%0.665SS.*  trans-133.5107.9171.668.50000110.6W154W154-S156 PolarHBondContact O-N 2.9Å
157S23Very low25.4Very low115 Ų115127.7 Ų127.780%0.80466%0.659SS**  trans45.880.7148.968.10000116.6
158M24.3Very low25.3Very low156 Ų156126.2 Ų126.277%0.76865%0.653SS**  trans-132.2123.1151.7-68.3-163.9-157.600109.2F160M158-F160 HydrophobicContact CB-CE2 4.07Å; M158-F160 WeakPolarHBondContact O-CD2 3.47Å; M158-F160 PolarHBondContact O-N 3.27Å; M158-F160 VanDerWaalsContact O-N 3.07Å
159Y22.5Very low25.4Very low243 Ų243126.6 Ų126.695%0.95365%0.65SS**  trans-53.1106.6172.2-77.7-102.7000109.4
160F26.9Very low25.5Very low137 Ų137128.4 Ų128.460%0.60166%0.657SS**  trans-104.7109.6164-76.2-77.6000108.5M158M158-F160 HydrophobicContact CB-CE2 4.07Å; M158-F160 WeakPolarHBondContact O-CD2 3.47Å; M158-F160 PolarHBondContact O-N 3.27Å; M158-F160 VanDerWaalsContact O-N 3.07Å
161S22.9Very low25.6Very low111 Ų111123 Ų12378%0.77665%0.645SS**  trans-62.1125.516647.80000109.9
162E23.4Very low25.6Very low176 Ų176124.4 Ų124.482%0.82266%0.659SS**  trans42.3102.7165-77.6-179.913900117.9
163I26.6Very low25.5Very low97 Ų97126.9 Ų126.950%0.49767%0.673SS.*  trans-103.8104147.6-71.3158.6000106.4L165I163-L165 PolarHBondContact O-N 2.92Å
164S24.2Very low25.7Very low100 Ų100128.5 Ų128.570%0.69968%0.679SS**  trans-80.6105.6177-33.80000108.7
165L25Very low25.8Very low140 Ų140124.7 Ų124.773%0.73368%0.682SS**  trans-84108.4166.1-82.7153.9000108I163 L167I163-L165 PolarHBondContact O-N 2.92Å; L165-L167 PolarHBondContact O-N 3.18Å
166D24.2Very low25.9Very low139 Ų139123 Ų12374%0.74368%0.678SS**  trans-72.793.8173.2-165-6.2000109.3S168D166-S168 VanDerWaalsContact CG-OG 3.27Å; D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.31Å; D166-S168 PolarHBondContact OD1-N 3.3Å; D166-S168 PolarHBondContact OD1-OG 3.46Å
167L25.9Very low26.1Very low106 Ų106124.3 Ų124.356%0.55569%0.685SS**  trans-89.939.9176.6-75.5158.2000111L165 E169L165-L167 PolarHBondContact O-N 3.18Å; L167-E169 VanDerWaalsContact C-N 3.3Å; L167-E169 PolarHBondContact O-N 3.16Å
168S22.6Very low26.4Very low86 Ų86123 Ų12360%0.60168%0.675SS**  trans-78-3.8-174.647.50000115.4D166D166-S168 VanDerWaalsContact CG-OG 3.27Å; D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.31Å; D166-S168 PolarHBondContact OD1-N 3.3Å; D166-S168 PolarHBondContact OD1-OG 3.46Å
169E27Very low26.5Very low174 Ų174118.8 Ų118.881%0.81366%0.661SS**SBendtrans-102.291.1175.3-69.6-168.6163.900112.3L167L167-E169 VanDerWaalsContact C-N 3.3Å; L167-E169 PolarHBondContact O-N 3.16Å
170T26.3Very low26.8Very low125 Ų125109.8 Ų109.877%0.76763%0.633SS**  trans49.976.6146.356.10000116.6P172T170-P172 WeakPolarHBondContact O-CD 3.2Å
171L27.6Very low26.9Very low121 Ų121109.4 Ų109.463%0.63464%0.642SS**  trans-60.7110.3157.6-84.4147.6000109.1L174L171-L174 HydrophobicContact CD2-CD1 3.85Å
172P28.3Very low27.1Very low103 Ų103111.2 Ų111.267%0.66963%0.632SS**  trans-69.1142.2167.7-1.819.8000107.6T170 L174T170-P172 WeakPolarHBondContact O-CD 3.2Å; P172-L174 WeakPolarHBondContact O-CG 3.31Å; P172-L174 PolarHBondContact O-N 3.11Å
173N27.4Very low27.4Very low173 Ų173108.7 Ų108.793%0.92563%0.628SS**  trans-42.192176.9-106.7-21.7000112.4S175N173-S175 PolarHBondContact O-N 2.89Å
174L32Very low27.4Very low53 Ų53107.3 Ų107.328%0.27763%0.631SS.*  trans-81.1100.4178.7-81.6151.8000108.3R130 L171 P172 S176 S179R130-L174 PolarHBondContact NH2-O 3.07Å; L171-L174 HydrophobicContact CD2-CD1 3.85Å; P172-L174 WeakPolarHBondContact O-CG 3.31Å; P172-L174 PolarHBondContact O-N 3.11Å; L174-S176 VanDerWaalsContact C-N 3.31Å; L174-S179 WeakPolarHBondContact CD2-OG 3Å
175S29Very low27.6Very low115 Ų115107.5 Ų107.580%0.80463%0.633SS**  trans-82.8-5.8172.750.10000113.3N173N173-S175 PolarHBondContact O-N 2.89Å
176S30.9Very low27.8Very low53 Ų53110 Ų11037%0.37164%0.638SS.*  trans-123.6118-179.845.50000112.2L174 C178 S179L174-S176 VanDerWaalsContact C-N 3.31Å; S176-C178 PolarHBondContact O-N 3.5Å; S176-S179 PolarHBondContact O-OG 3.45Å; S176-S179 VanDerWaalsContact OG-CB 3.25Å; S176-S179 WeakPolarHBondContact OG-CB 3.25Å; S176-S179 PolarHBondContact OG-OG 3.21Å
177P28.8Very low27.9Very low88 Ų88110.2 Ų110.257%0.57165%0.645SS**THydrogen-bonded Turntrans-69.64.5-175.926.7-33.5000115.7
178C28Very low28.1Very low88 Ų88112.7 Ų112.760%0.59565%0.653SS**THydrogen-bonded Turntrans-137.318.3-174-62.50000113.8S176S176-C178 PolarHBondContact O-N 3.5Å
179S26.3Very low28.2Very low67 Ų67113.5 Ų113.547%0.46966%0.659SS.*  trans-104.92.7-172.666.70000115.5L174 S176L174-S179 WeakPolarHBondContact CD2-OG 3Å; S176-S179 PolarHBondContact O-OG 3.45Å; S176-S179 VanDerWaalsContact OG-CB 3.25Å; S176-S179 WeakPolarHBondContact OG-CB 3.25Å; S176-S179 PolarHBondContact OG-OG 3.21Å
180S28.9Very low28.2Very low54 Ų54108.7 Ų108.738%0.37864%0.638SS.*  trans-108.4105.4179.348.70000111.3W182S180-W182 PolarHBondContact O-NE1 2.95Å; S180-W182 PolarHBondContact OG-NE1 2.8Å
181V29Very low28.1Very low128 Ų128110.3 Ų110.378%0.77664%0.642SS**  trans-81.4117.3164.4178.70000107.2
182W28.3Very low28.2Very low150 Ų150111.2 Ų111.257%0.56864%0.641SS**  trans-100.8122.1174.7-53.481.4000107.7S180S180-W182 PolarHBondContact O-NE1 2.95Å; S180-W182 PolarHBondContact OG-NE1 2.8Å
183T28.4Very low28.2Very low122 Ų122113.8 Ų113.875%0.74864%0.644SS**  trans-107.3111.8173.4-49.30000107.6
184A28.1Very low28.3Very low68 Ų68110.7 Ų110.756%0.56263%0.633SS**  trans-100.6111.1168.600000108.2F186A184-F186 HydrophobicContact CB-CE2 3.87Å; A184-F186 HydrophobicContact CB-CZ 4.23Å
185S28.2Very low28.3Very low104 Ų104115.3 Ų115.373%0.72766%0.658SS**  trans-99124.8171.656.50000109.2
186F28.1Very low28.4Very low192 Ų192115.4 Ų115.484%0.84265%0.654SS**  trans-108.7122.1171.7-60.3-86000109A184A184-F186 HydrophobicContact CB-CE2 3.87Å; A184-F186 HydrophobicContact CB-CZ 4.23Å
187T27Very low28.4Very low144 Ų144120.2 Ų120.288%0.88368%0.675SS**  trans-108.1112.7168.5-7.30000107
188H29.4Very low28.4Very low159 Ų159121.1 Ų121.174%0.73668%0.681SS**  trans-120.7117.2173.1-161.861.1000109.6I190H188-I190 VanDerWaalsContact CD2-CG1 3.44Å; H188-I190 WeakPolarHBondContact CD2-CG1 3.44Å
189S25Very low28.6Very low102 Ų102122.8 Ų122.871%0.71369%0.694SS**  trans-88.9110.3170.554.50000108.7
190I27.8Very low28.7Very low74 Ų74130.4 Ų130.438%0.37971%0.712SS.*  trans-93.5109.2171.5-54.1173.4000107.8V144 H188 F192V144-I190 HydrophobicContact CG2-CD1 3.91Å; H188-I190 VanDerWaalsContact CD2-CG1 3.44Å; H188-I190 WeakPolarHBondContact CD2-CG1 3.44Å; I190-F192 HydrophobicContact CB-CD2 4.34Å; I190-F192 HydrophobicContact CB-CE2 3.94Å; I190-F192 HydrophobicContact CG2-CD2 3.67Å; I190-F192 HydrophobicContact CG2-CE1 4.2Å; I190-F192 HydrophobicContact CG2-CE2 3.29Å; I190-F192 HydrophobicContact CG2-CG 4.27Å; I190-F192 HydrophobicContact CG2-CZ 3.58Å; I190-F192 PolarHBondContact O-N 3.32Å
191N24.7Very low28.8Very low159 Ų159135.8 Ų135.885%0.8574%0.736SS**  trans-80.2109.2165.6-82.8-16.3000107.9
192F29.2Very low28.9Very low140 Ų140135 Ų13561%0.61474%0.736SS**  trans-86116.8169.7-79-78.9000109.9V144 I190V144-F192 HydrophobicContact CB-CZ 4.23Å; V144-F192 HydrophobicContact CG1-CE1 4.42Å; V144-F192 HydrophobicContact CG1-CE2 3.77Å; V144-F192 HydrophobicContact CG1-CZ 3.45Å; V144-F192 VanDerWaalsContact CG1-CZ 3.45Å; V144-F192 HydrophobicContact CG2-CE2 4.23Å; V144-F192 HydrophobicContact CG2-CZ 3.68Å; I190-F192 HydrophobicContact CB-CD2 4.34Å; I190-F192 HydrophobicContact CB-CE2 3.94Å; I190-F192 HydrophobicContact CG2-CD2 3.67Å; I190-F192 HydrophobicContact CG2-CE1 4.2Å; I190-F192 HydrophobicContact CG2-CE2 3.29Å; I190-F192 HydrophobicContact CG2-CG 4.27Å; I190-F192 HydrophobicContact CG2-CZ 3.58Å; I190-F192 PolarHBondContact O-N 3.32Å
193E28.7Very low29.1Very low157 Ų157133.3 Ų133.373%0.73474%0.744SS**  trans-78.4119.2164.5-158.5164.2-160.300107.5D195E193-D195 PolarHBondContact O-N 3.36Å
194P28.7Very low29.3Very low108 Ų108133 Ų13370%0.70175%0.745SS**THydrogen-bonded Turntrans-68-0.4-160.321.7-31.3000116.9
195D31.1Very low29.5Very low149 Ų149136.7 Ų136.780%0.79775%0.754SS**THydrogen-bonded Turntrans-117.813.7-165.8-70.5-38.6000115.9E193E193-D195 PolarHBondContact O-N 3.36Å
196T31.4Very low29.6Very low118 Ų118137.6 Ų137.672%0.72476%0.757SS**  trans-120.356.2-179.354.10000114
197L30.9Very low29.9Very low153 Ų153137.4 Ų137.480%0.80176%0.756SS**  trans-75.1125165.6-94.7154.4000110.5S199L197-S199 PolarHBondContact O-N 2.95Å; L197-S199 VanDerWaalsContact O-N 3.13Å
198P29.8Very low29.9Very low108 Ų108135.9 Ų135.970%0.70175%0.751SS**  trans-67.1112.3174.125-30.3000110.3R200P198-R200 PolarHBondContact O-N 3.13Å
199S32.5Very low30.1Very low123 Ų123134.6 Ų134.686%0.8676%0.755SS**SBendtrans-72.422.9-172.846.70000116L197L197-S199 PolarHBondContact O-N 2.95Å; L197-S199 VanDerWaalsContact O-N 3.13Å
200R28.3Very low30.5Very low226 Ų226137.7 Ų137.785%0.85376%0.758SS**  trans-149.781.7-177.1-78.4-169.4171.6-161.3-1.2113.2P198P198-R200 PolarHBondContact O-N 3.13Å
201L30.9Very low30.7Very low168 Ų168139.8 Ų139.888%0.8878%0.776SS**  trans-132.594.2152.2-76.5170.7000107.7
202S31.1Very low31.3Very low111 Ų111138.7 Ų138.778%0.77678%0.776SS**PPolyproline II helixtrans-54.8140.8173.9-44.60000110.2
203P32.3Very low31.5Very low114 Ų114138.7 Ų138.774%0.7479%0.787SS**PPolyproline II helixtrans-61.3142.5177.525.2-32.8000110.6L205P203-L205 PolarHBondContact O-N 3.45Å
204P33.1Very low32.1Very low117 Ų117136.7 Ų136.776%0.7679%0.791SS**PPolyproline II helixtrans-62.2129.7171.924.6-30.1000109.6
205L30.8Very low32.3Very low145 Ų145142.9 Ų142.976%0.75980%0.8SS**PPolyproline II helixtrans-53.8144.2176.3-76.6146.3000111.3P203 F207P203-L205 PolarHBondContact O-N 3.45Å; L205-F207 PolarHBondContact O-N 3.15Å
206P31.9Very low32.9Very low122 Ų122148.6 Ų148.679%0.79283%0.825SS**PPolyproline II helixtrans-68.3119.6175.128.2-31.5000109.6S208P206-S208 PolarHBondContact O-N 3.3Å
207F33.2Very low32.9Very low188 Ų188150.2 Ų150.283%0.82583%0.83SS**  trans-72.6114.7169.9-56.7-79.8000108.9L205L205-F207 PolarHBondContact O-N 3.15Å
208S27.9Very low33.1Very low112 Ų112150 Ų15078%0.78383%0.832SS**  trans-74.4122.9168.4-1760000109.1P206P206-S208 PolarHBondContact O-N 3.3Å
209V32.8Very low33.2Very low133 Ų133152.3 Ų152.381%0.80684%0.839SS**  trans-103.298171.7-1760000107.4
210E33.1Very low33.3Very low166 Ų166154.1 Ų154.178%0.77684%0.838SS**  trans-69.9134.5167.4-98.3-177.9152.600109.9T212E210-T212 PolarHBondContact O-N 3.25Å; E210-T212 VanDerWaalsContact O-N 3.15Å
211P32.6Very low33.6Very low118 Ų118149.6 Ų149.677%0.76684%0.837SS**  trans-73.3106.4171.528.4-28.9000109.1T213P211-T213 PolarHBondContact O-N 3.35Å; P211-T213 VanDerWaalsContact O-N 3.14Å
212T37Very low33.8Very low137 Ų137148.3 Ų148.384%0.8483%0.834SS**  trans-75.599.6167.415.50000108.9E210 S214E210-T212 PolarHBondContact O-N 3.25Å; E210-T212 VanDerWaalsContact O-N 3.15Å; T212-S214 PolarHBondContact O-N 3.14Å
213T33Very low34Very low139 Ų139151 Ų15185%0.85384%0.838SS**  trans-64.9121.9162.640.30000108.9P211P211-T213 PolarHBondContact O-N 3.35Å; P211-T213 VanDerWaalsContact O-N 3.14Å
214S41.2Very low34.1Very low116 Ų116153.8 Ų153.881%0.81185%0.846SS**  trans-122.9110.3165.471.90000110.1T212T212-S214 PolarHBondContact O-N 3.14Å
215R34.4Very low34.2Very low238 Ų238156.9 Ų156.990%0.89885%0.853SS**  trans20.8125158.2-68.9180173.5176.8-3120.6
216M42.2Very low34.5Very low269 Ų269158 Ų158100%1.32586%0.861SS**  -110.30108.6-77.2-173.1-170.700108.5

Retrieved 216 of 216 residues in 25 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).