F801_SCHMA Loading...

Female-specific protein 800

FS800 is likely to have some function in the production or maintenance of the schistosome egg.

AlphaFold DB , UniProt , Accession P16463, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 238 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
1M59.5Low75.7Confident197 Ų197131.5 Ų131.597%0.9763%0.63SS**  0-35.50-65.6-90.6-160.400113.8Y3 I4M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.28Å; M1-I4 PolarHBondContact O-N 3.15Å
2K58.9Low76.1Confident181 Ų181128.3 Ų128.379%0.78762%0.617SS**Hα-helixtrans-61.5-28-174.4-66-178.2179178.20115.9
3Y73.9Confident76.1Confident196 Ų196126.5 Ų126.577%0.76961%0.612SS**Hα-helixtrans-78-19.3-178-60.2-71.2000114.7M1 I6 L7M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.28Å; Y3-I6 PolarHBondContact O-N 2.8Å; Y3-L7 PolarHBondContact O-N 2.78Å
4I79Confident76.2Confident102 Ų102121.9 Ų121.952%0.52360%0.599SS.*Hα-helixtrans-68.3-38.7-177.8-66166.8000110.7M1 I6 L7 L8M1-I4 PolarHBondContact O-N 3.15Å; I4-I6 PolarHBondContact O-N 2.8Å; I4-L7 PolarHBondContact O-N 2.74Å; I4-L8 WeakPolarHBondContact O-CB 3.22Å; I4-L8 PolarHBondContact O-N 2.79Å; I4-L8 VanDerWaalsContact O-N 3.09Å
5H74Confident75.9Confident136 Ų136120.9 Ų120.963%0.6360%0.597SS**Hα-helixtrans-67.8-35.5178.7-63.2-54.1000112.6L8 V9H5-L8 PolarHBondContact O-N 3.03Å; H5-V9 WeakPolarHBondContact O-CG2 3.33Å; H5-V9 PolarHBondContact O-N 2.75Å; H5-V9 VanDerWaalsContact O-N 3.13Å
6I79.6Confident75.3Confident98 Ų98122.5 Ų122.550%0.50360%0.6SS.*Hα-helixtrans-66.9-45.2177.7-62.3172.4000109.9Y3 I4 L8 V9 F10Y3-I6 PolarHBondContact O-N 2.8Å; I4-I6 PolarHBondContact O-N 2.8Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.08Å; I6-V9 PolarHBondContact O-N 2.81Å; I6-F10 HydrophobicContact CG2-CD2 4Å; I6-F10 HydrophobicContact CG2-CE2 3.88Å; I6-F10 WeakPolarHBondContact O-CD2 3.12Å; I6-F10 PolarHBondContact O-N 2.89Å
7L81.4Confident74.7Confident116 Ų116121 Ų12161%0.60759%0.594SS**Hα-helixtrans-58.5-42.4176-169.280.6000111.7Y3 I4 V9 F10 I11Y3-L7 PolarHBondContact O-N 2.78Å; I4-L7 PolarHBondContact O-N 2.74Å; L7-V9 PolarHBondContact O-N 2.79Å; L7-F10 PolarHBondContact O-N 2.89Å; L7-I11 HydrophobicContact CG-CD1 4.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 2.92Å; L7-I11 VanDerWaalsContact O-N 3.13Å
8L80.3Confident73.8Confident95 Ų95119.3 Ų119.350%0.49759%0.591SS.*Hα-helixtrans-66.6-36.6-178.4-160.1142.9000112.3I4 H5 I6 I11 I12I4-L8 WeakPolarHBondContact O-CB 3.22Å; I4-L8 PolarHBondContact O-N 2.79Å; I4-L8 VanDerWaalsContact O-N 3.09Å; H5-L8 PolarHBondContact O-N 3.03Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.08Å; L8-I11 PolarHBondContact O-N 3.04Å; L8-I12 HydrophobicContact CD2-CD1 3.59Å; L8-I12 HydrophobicContact CD2-CG1 4.41Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 2.99Å; L8-I12 VanDerWaalsContact O-N 3.15Å
9V80.2Confident72.9Confident89 Ų89117.4 Ų117.454%0.53959%0.587SS.*Hα-helixtrans-65.1-40.6173.7172.80000111.5H5 I6 L7 I11 I12 L13H5-V9 WeakPolarHBondContact O-CG2 3.33Å; H5-V9 PolarHBondContact O-N 2.75Å; H5-V9 VanDerWaalsContact O-N 3.13Å; I6-V9 PolarHBondContact O-N 2.81Å; L7-V9 PolarHBondContact O-N 2.79Å; V9-I11 PolarHBondContact O-N 3.46Å; V9-I12 PolarHBondContact O-N 2.96Å; V9-L13 PolarHBondContact O-N 2.86Å
10F82.9Confident72Confident145 Ų145116.9 Ų116.964%0.63659%0.585SS**Hα-helixtrans-63.8-38.1176.8-87.6-74.2000112.9I6 L7 L13 S14I6-F10 HydrophobicContact CG2-CD2 4Å; I6-F10 HydrophobicContact CG2-CE2 3.88Å; I6-F10 WeakPolarHBondContact O-CD2 3.12Å; I6-F10 PolarHBondContact O-N 2.89Å; L7-F10 PolarHBondContact O-N 2.89Å; F10-L13 PolarHBondContact O-N 3.09Å; F10-S14 PolarHBondContact O-N 3.03Å; F10-S14 VanDerWaalsContact O-N 3.08Å; F10-S14 PolarHBondContact O-OG 3.44Å
11I82.8Confident70.8Confident91 Ų91117.7 Ų117.747%0.46759%0.585SS.*Hα-helixtrans-66.5-41.1176.8-65.2166.1000111.2L7 L8 V9 S14 L15L7-I11 HydrophobicContact CG-CD1 4.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 2.92Å; L7-I11 VanDerWaalsContact O-N 3.13Å; L8-I11 PolarHBondContact O-N 3.04Å; V9-I11 PolarHBondContact O-N 3.46Å; I11-S14 PolarHBondContact O-N 3.04Å; I11-S14 PolarHBondContact O-OG 3.37Å; I11-L15 HydrophobicContact CG2-CD1 4.24Å; I11-L15 PolarHBondContact O-N 2.92Å
12I81Confident69.9Low93 Ų93111 Ų11148%0.47756%0.558SS.*Hα-helixtrans-66.4-39.9177.8-66.1170.6000110.9L8 V9 F16L8-I12 HydrophobicContact CD2-CD1 3.59Å; L8-I12 HydrophobicContact CD2-CG1 4.41Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 2.99Å; L8-I12 VanDerWaalsContact O-N 3.15Å; V9-I12 PolarHBondContact O-N 2.96Å; I12-F16 PolarHBondContact O-N 2.96Å
13L76.5Confident69.1Low106 Ų106107.2 Ų107.256%0.55555%0.546SS*.Hα-helixtrans-66.9-39.3179.7-137.886.4000112.2V9 F10 F16 I17V9-L13 PolarHBondContact O-N 2.86Å; F10-L13 PolarHBondContact O-N 3.09Å; L13-F16 PolarHBondContact O-N 2.85Å; L13-I17 WeakPolarHBondContact O-CG1 3.09Å; L13-I17 PolarHBondContact O-N 3.13Å; L13-I17 VanDerWaalsContact O-N 3.16Å
14S77.6Confident67.6Low61 Ų61105.9 Ų105.943%0.42754%0.541SS..Hα-helixtrans-68.4-36179.867.60000112.5F10 I11 I17 T18F10-S14 PolarHBondContact O-N 3.03Å; F10-S14 VanDerWaalsContact O-N 3.08Å; F10-S14 PolarHBondContact O-OG 3.44Å; I11-S14 PolarHBondContact O-N 3.04Å; I11-S14 PolarHBondContact O-OG 3.37Å; S14-I17 PolarHBondContact O-N 2.92Å; S14-T18 PolarHBondContact O-N 2.83Å; S14-T18 VanDerWaalsContact O-N 3.11Å; S14-T18 PolarHBondContact O-OG1 2.7Å
15L70.4Confident65.8Low108 Ų108108.9 Ų108.957%0.56555%0.546SS*.Hα-helixtrans-62.3-43172.4-77.9162.2000111.5I11 I17 T18 V19I11-L15 HydrophobicContact CG2-CD1 4.24Å; I11-L15 PolarHBondContact O-N 2.92Å; L15-I17 PolarHBondContact O-N 3.2Å; L15-T18 PolarHBondContact O-N 2.82Å; L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 2.96Å; L15-V19 VanDerWaalsContact O-N 3.09Å
16F66.6Low64Low146 Ų146108.9 Ų108.964%0.6455%0.551SS**Hα-helixtrans-63.3-41.8179.3-122.8-88.5000112.6I12 L13 T18 I20I12-F16 PolarHBondContact O-N 2.96Å; L13-F16 PolarHBondContact O-N 2.85Å; F16-T18 VanDerWaalsContact C-N 3.34Å; F16-I20 HydrophobicContact CD1-CD1 4.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.15Å; F16-I20 PolarHBondContact O-N 3.39Å
17I64.9Low62Low97 Ų97110.7 Ų110.750%0.49756%0.562SS.*Hα-helixtrans-66.6-37.9178.1-65.3165.9000111L13 S14 L15 I20 K21L13-I17 WeakPolarHBondContact O-CG1 3.09Å; L13-I17 PolarHBondContact O-N 3.13Å; L13-I17 VanDerWaalsContact O-N 3.16Å; S14-I17 PolarHBondContact O-N 2.92Å; L15-I17 PolarHBondContact O-N 3.2Å; I17-I20 PolarHBondContact O-N 3.4Å; I17-K21 PolarHBondContact O-N 2.96Å
18T59Low59.9Low90 Ų90111.3 Ų111.355%0.55257%0.566SS**Hα-helixtrans-67.5-40.6-179.6-51.70000111.6S14 L15 F16 I20 K21 S22S14-T18 PolarHBondContact O-N 2.83Å; S14-T18 VanDerWaalsContact O-N 3.11Å; S14-T18 PolarHBondContact O-OG1 2.7Å; L15-T18 PolarHBondContact O-N 2.82Å; F16-T18 VanDerWaalsContact C-N 3.34Å; T18-I20 PolarHBondContact O-N 2.87Å; T18-K21 PolarHBondContact O-N 2.97Å; T18-S22 PolarHBondContact O-N 3.18Å
19V56.4Low57.7Low83 Ų83113.8 Ų113.850%0.50358%0.579SS.*Hα-helixtrans-67.7-34.2176.8172.90000112.3L15 S22 N23L15-V19 WeakPolarHBondContact O-CG2 3.08Å; L15-V19 PolarHBondContact O-N 2.96Å; L15-V19 VanDerWaalsContact O-N 3.09Å; V19-S22 PolarHBondContact O-OG 3.33Å; V19-N23 PolarHBondContact O-N 3.47Å; V19-N23 PolarHBondContact O-ND2 2.93Å
20I54.5Low55.4Low108 Ų108118.8 Ų118.855%0.55460%0.597SS**Hα-helixtrans-70.5-40.2174.6-66.2167.6000110.3F16 I17 T18 Y24F16-I20 HydrophobicContact CD1-CD1 4.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.15Å; F16-I20 PolarHBondContact O-N 3.39Å; I17-I20 PolarHBondContact O-N 3.4Å; T18-I20 PolarHBondContact O-N 2.87Å; I20-Y24 PolarHBondContact O-N 3.43Å
21K47Very low52.8Low134 Ų134119.8 Ų119.858%0.58361%0.609SS**Hα-helixtrans-65.9-43.8176.1-96.7-173.5173.4-176.80112.6I17 T18 N23 Y24 Y25I17-K21 PolarHBondContact O-N 2.96Å; T18-K21 PolarHBondContact O-N 2.97Å; K21-N23 VanDerWaalsContact C-N 3.33Å; K21-N23 PolarHBondContact O-N 3.47Å; K21-Y24 PolarHBondContact O-N 3.43Å; K21-Y24 VanDerWaalsContact O-N 3.11Å; K21-Y25 WeakPolarHBondContact O-CD2 3.4Å; K21-Y25 PolarHBondContact O-N 2.78Å
22S40.6Very low50.1Low57 Ų57123.5 Ų123.540%0.39962%0.624SS.*Hα-helixtrans-62.7-41.5-179.872.80000111.7T18 V19 Y24 Y25 D26T18-S22 PolarHBondContact O-N 3.18Å; V19-S22 PolarHBondContact O-OG 3.33Å; S22-Y24 PolarHBondContact O-N 3.35Å; S22-Y25 PolarHBondContact O-N 3.48Å; S22-D26 PolarHBondContact O-N 2.82Å
23N43.3Very low47.4Very low100 Ų100125 Ų12554%0.53563%0.633SS.*Hα-helixtrans-66.8-20.5176.5-80.2-52000114.3V19 K21 N27V19-N23 PolarHBondContact O-N 3.47Å; V19-N23 PolarHBondContact O-ND2 2.93Å; K21-N23 VanDerWaalsContact C-N 3.33Å; K21-N23 PolarHBondContact O-N 3.47Å; N23-N27 PolarHBondContact O-ND2 2.93Å
24Y41.1Very low45.2Very low169 Ų169128.9 Ų128.966%0.66365%0.648SS**Hα-helixtrans-88.5-27.7179.3-150.6-90.6000112.9I20 K21 S22I20-Y24 PolarHBondContact O-N 3.43Å; K21-Y24 PolarHBondContact O-N 3.43Å; K21-Y24 VanDerWaalsContact O-N 3.11Å; S22-Y24 PolarHBondContact O-N 3.35Å
25Y40.8Very low42.7Very low165 Ų165135.6 Ų135.665%0.64767%0.666SS**Hα-helixtrans-92.8-27.3-178.3-80.4-80.7000114.1K21 S22K21-Y25 WeakPolarHBondContact O-CD2 3.4Å; K21-Y25 PolarHBondContact O-N 2.78Å; S22-Y25 PolarHBondContact O-N 3.48Å
26D36.3Very low40.6Very low135 Ų135135.4 Ų135.472%0.72267%0.674SS**G310 helixtrans-78.7-21.7179.5-78.2-27.3000114.2S22 N28S22-D26 PolarHBondContact O-N 2.82Å; D26-N28 VanDerWaalsContact C-N 3.3Å; D26-N28 PolarHBondContact O-N 2.82Å
27N39.5Very low38.6Very low136 Ų136137.1 Ų137.173%0.72768%0.677SS**G310 helixtrans-80.5-2.1-178-86.1-49.6000115N23N23-N27 PolarHBondContact O-ND2 2.93Å
28N36.9Very low36.7Very low130 Ų130139.3 Ų139.370%0.69569%0.685SS**G310 helixtrans-103.21.6-174.4-88-25.7000115.3D26D26-N28 VanDerWaalsContact C-N 3.3Å; D26-N28 PolarHBondContact O-N 2.82Å
29N33.2Very low35.1Very low146 Ų146142.2 Ų142.278%0.78169%0.692SS**SBendtrans-119.79.5-169.2-92.7-13.1000117.7
30Q31.8Very low33.6Very low195 Ų195142.4 Ų142.491%0.91169%0.694SS**  trans-132.481.2177.4-75.1-171.4-24.500112.6
31N28.3Very low32.3Very low166 Ų166147.9 Ų147.989%0.88871%0.709SS**  trans-127.975.3173.9-137.50.2000108.6
32Q27.2Very low31.3Very low169 Ų169147.6 Ų147.679%0.7971%0.714SS**  trans-145.7105.4175-71.9-100.1-40.500109.4
33N24.3Very low30.6Very low124 Ų124150.4 Ų150.466%0.66372%0.724SS**  trans69.4120.7146.7-48.3-38.4000119.5
34Q28.8Very low29.7Very low187 Ų187151.6 Ų151.687%0.87473%0.73SS**  169154.498.3-83.6-171.2-8.100112.6
35Y25.4Very low29Very low202 Ų202150.2 Ų150.279%0.79274%0.735SS**  trans-85.7165-156.7-69.1-103.1000116.2
36S25.8Very low28.3Very low105 Ų105151.2 Ų151.273%0.73475%0.745SS**  155.1103.8129.5-177.30000111.8
37Y25.7Very low27.7Very low181 Ų181147.6 Ų147.671%0.7174%0.739SS**  60138.597.5-69.6-61.2000114.8
38H25.1Very low27Very low143 Ų143149 Ų14966%0.66275%0.747SS**  cis-169.2137.320.8-136.3-99.3000108.6
39H25.8Very low26.5Very low152 Ų152153.9 Ų153.970%0.70476%0.757SS**  53.1150.8128.5-75.5-85000123.1
40T24.3Very low26.1Very low87 Ų87154.4 Ų154.453%0.53476%0.755SS.*  cis-170.9150.1-6.7-55.40000104.8
41Y27.8Very low25.9Very low222 Ų222150.8 Ų150.887%0.87175%0.751SS**  166.5163.7110-93.3-73.6000112.1
42N24.5Very low25.8Very low128 Ų128150.3 Ų150.368%0.68474%0.742SS**  trans-118.3158.9-135.6-163.911.7000111.6
43N26.3Very low25.8Very low117 Ų117150.3 Ų150.363%0.62675%0.747SS**  trans74126.2150-86.6-13.3000123.3
44N24.6Very low26.1Very low124 Ų124149.8 Ų149.866%0.66375%0.748SS**  trans66.599.1134.1-59.4-13.6000118.4
45N27Very low25.9Very low141 Ų141148.6 Ų148.675%0.75474%0.742SS**  170.6139.1105.5-95.2-27.3000111
46Q25.1Very low26.2Very low186 Ų186143.5 Ų143.587%0.86974%0.736SS**  trans39.6126.6140.3-63-178.2-24.100119.5
47G25.2Very low26.3Very low58 Ų58146.1 Ų146.160%0.59874%0.737SS**  trans168.494.5153.100000114.8Y49G47-Y49 WeakPolarHBondContact O-CD2 3.41Å; G47-Y49 PolarHBondContact O-N 2.99Å; G47-Y49 VanDerWaalsContact O-N 3.16Å
48N24.4Very low26.5Very low167 Ų167142 Ų14289%0.89374%0.735SS**  trans-46.2112.6165.1-79.8-33000111.8Q50N48-Q50 PolarHBondContact O-N 3.48Å
49Y26.7Very low26.7Very low231 Ų231143.4 Ų143.491%0.90674%0.741SS**  trans-89.984.1165-78.9-81.9000109.8G47 S51G47-Y49 WeakPolarHBondContact O-CD2 3.41Å; G47-Y49 PolarHBondContact O-N 2.99Å; G47-Y49 VanDerWaalsContact O-N 3.16Å; Y49-S51 PolarHBondContact O-N 2.85Å
50Q23.9Very low26.9Very low158 Ų158143.8 Ų143.874%0.73874%0.743SS**  trans-78.5100.3161.8-146.8-179.610.300106.9N48 K52N48-Q50 PolarHBondContact O-N 3.48Å; Q50-K52 VanDerWaalsContact C-N 3.33Å; Q50-K52 PolarHBondContact O-N 2.88Å
51S28Very low27.1Very low118 Ų118146.7 Ų146.783%0.82576%0.755SS**  trans-74.787.3176.4670000109.8Y49Y49-S51 PolarHBondContact O-N 2.85Å
52K26.9Very low27.1Very low157 Ų157140.4 Ų140.468%0.68374%0.744SS**  trans-76.1122.3161.6-77.6-176.5178.1177.20108.4Q50 V54Q50-K52 VanDerWaalsContact C-N 3.33Å; Q50-K52 PolarHBondContact O-N 2.88Å; K52-V54 PolarHBondContact O-N 2.77Å
53N26.7Very low27.5Very low168 Ų168145.6 Ų145.690%0.89876%0.756SS**  trans-54.8105.5162.4-75.6-35.7000108.4
54V29.2Very low27.8Very low113 Ų113146.6 Ų146.669%0.68576%0.761SS**  trans-102.596.4170.5-1780000107.7K52K52-V54 PolarHBondContact O-N 2.77Å
55H25.8Very low28.4Very low162 Ų162151 Ų15175%0.7577%0.774SS**  trans-72114.6151.4-168.434.2000105.6
56S31.3Very low28.7Very low96 Ų96151.8 Ų151.867%0.67177%0.773SS**  trans-126.882.5172.643.50000108.6
57E27.8Very low29Very low160 Ų160148.8 Ų148.875%0.74877%0.768SS**  trans-83.6118.8142.9-73178.4170.100106.7
58S31Very low29.6Very low95 Ų95158.1 Ų158.166%0.66479%0.785SS**  trans175.1108.1159.525.70000106.9
59E29.1Very low30Very low172 Ų172157.2 Ų157.280%0.80478%0.78SS**  85.4117.185.2-79.7179.6-179.300113.1
60Q28.4Very low30.3Very low160 Ų160153 Ų15375%0.74877%0.773SS**  trans43.4119.3137.5-63.7-178.6-40.600119.1
61N29Very low31.1Very low147 Ų147152.4 Ų152.479%0.78678%0.775SS**  176.8149.8102.1-89.2-38.8000114.4
62S28Very low31.6Very low90 Ų90153.2 Ų153.263%0.62977%0.771SS**  trans-47147-17958.20000117.2
63Y32.9Very low32.3Very low237 Ų237152.2 Ų152.293%0.92977%0.773SS**  trans-122.693.4143.9-80.8-79.1000109.5
64N32.9Very low33.2Very low139 Ų139150.6 Ų150.674%0.74376%0.764SS**  trans-70.1127.9153.3-92.4-4.7000107.9
65K37.6Very low34Very low215 Ų215151.6 Ų151.694%0.93577%0.766SS**  trans-141.280.1153-155.5176.1-174.8-178.70108.8
66E32.6Very low34.6Very low158 Ų158150.8 Ų150.874%0.73877%0.767SS**  trans-73.8155.2163.4-79.9-176.9154.100110.9
67T32.4Very low35.1Very low123 Ų123153.9 Ų153.976%0.75578%0.776SS**  trans73.5108.1162.558.40000119
68R36.5Very low35.4Very low255 Ų255154.1 Ų154.196%0.96278%0.777SS**  -152.7137.3124.9-104.6171-165.2-172.42110.4
69N34.4Very low35.6Very low148 Ų148156.5 Ų156.579%0.79178%0.782SS**  trans-75.9159.8-157.9-69.7-29.1000115.5
70N32.7Very low36Very low142 Ų142155.5 Ų155.576%0.75978%0.775SS**  trans-38.6145.9163.8-54.2-24.8000114.9
71N39.9Very low36.4Very low146 Ų146155.9 Ų155.978%0.78178%0.777SS**  trans173.494.9140.8-79.4-14.5000103.4
72D38.8Very low36.7Very low135 Ų135158.3 Ų158.372%0.72278%0.775SS**  71127.691.5-72.8-19.6000111.4
73D42.3Very low37Very low136 Ų136161.5 Ų161.573%0.72779%0.785SS**  trans90.3107.7157.1-52.8-24.4000118.4
74D45.3Very low37.4Very low133 Ų133160 Ų16071%0.71178%0.783SS**  trans102.5114.5130.9-60.5-19.3000119.7
75D45.3Very low37.5Very low135 Ų135162.1 Ų162.172%0.72279%0.786SS**  trans84.8111.2138.7-60.1-22.8000119.6
76D37.8Very low37.3Very low144 Ų144156.9 Ų156.977%0.7778%0.776SS**  trans51.993.7138.3-68.2-23.4000116.4
77D41.6Very low37.5Very low162 Ų162156.8 Ų156.887%0.86678%0.78SS**  trans-159.8132.5130.8-93.8-31.8000112N79D77-N79 PolarHBondContact O-N 2.89Å
78E35.5Very low37.7Very low165 Ų165161.4 Ų161.477%0.77178%0.783SS**  trans-35.5111.7-174.8-61.3-178162.800115.8F80E78-F80 PolarHBondContact O-N 2.84Å
79N34.3Very low37.6Very low145 Ų145153.6 Ų153.678%0.77577%0.768SS**  trans-69.674.1170.8-109-30.6000111.6D77 E81D77-N79 PolarHBondContact O-N 2.89Å; N79-E81 PolarHBondContact O-N 3.03Å; N79-E81 VanDerWaalsContact O-N 3.08Å
80F38.6Very low37.8Very low151 Ų151156.9 Ų156.966%0.66277%0.769SS**  trans-78.655.5159.3-103.3-77.6000110.1E78 R82E78-F80 PolarHBondContact O-N 2.84Å; F80-R82 HydrophobicContact CD1-CG 4.44Å; F80-R82 PolarHBondContact O-N 3.25Å
81E35.7Very low38Very low167 Ų167161.3 Ų161.378%0.7878%0.777SS**  trans-72.269.8165-80.3-163.6147.900109.7N79 N83N79-E81 PolarHBondContact O-N 3.03Å; N79-E81 VanDerWaalsContact O-N 3.08Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 3.48Å
82R36.3Very low38.3Very low198 Ų198158 Ų15875%0.74776%0.756SS**  trans-61.7102.6158.8-82-174.8-156.6-160.34.2107F80 K84F80-R82 HydrophobicContact CD1-CG 4.44Å; F80-R82 PolarHBondContact O-N 3.25Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 3.15Å
83N33.8Very low38.6Very low158 Ų158154.2 Ų154.285%0.84575%0.75SS**  trans-4.483149.8-91.6-43.7000112.5E81 K85E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 3.48Å; N83-K85 PolarHBondContact O-N 2.9Å
84K40.7Very low38.8Very low204 Ų204156.8 Ų156.889%0.88775%0.75SS**  trans-72.176164.9-80.2-179.7-178.5169.10105.2R82 S86R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 3.15Å; K84-S86 VanDerWaalsContact C-N 3.29Å; K84-S86 PolarHBondContact O-N 3.47Å
85K35.5Very low39.1Very low185 Ų185155 Ų15580%0.80474%0.744SS**  trans-46.7106.3159.5-105.8-178.9177.5175.10104.5N83 I87N83-K85 PolarHBondContact O-N 2.9Å; K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 2.86Å
86S33.8Very low39.3Very low104 Ų104154.8 Ų154.873%0.72773%0.734SS**  trans-55.8106.817666.30000105.4K84 R88K84-S86 VanDerWaalsContact C-N 3.29Å; K84-S86 PolarHBondContact O-N 3.47Å; S86-R88 PolarHBondContact O-N 3.26Å
87I36.1Very low39.9Very low157 Ų157151.5 Ų151.581%0.80571%0.711SS**  trans-69.287.7171.9-60.4175.7000103.3K85 S89K85-I87 VanDerWaalsContact C-N 3.34Å; K85-I87 PolarHBondContact O-N 2.86Å; I87-S89 PolarHBondContact O-N 2.72Å
88R36.5Very low40.4Very low219 Ų219147.8 Ų147.883%0.82669%0.691SS**  trans-47.8120.1170.1-104.5-174.2171-165.7-2105.5S86 R90S86-R88 PolarHBondContact O-N 3.26Å; R88-R90 PolarHBondContact O-N 3.4Å
89S34.4Very low41Very low92 Ų92143.1 Ų143.164%0.64367%0.672SS**  trans-50.7105.4173178.70000107I87 Y91 H92I87-S89 PolarHBondContact O-N 2.72Å; S89-Y91 PolarHBondContact O-N 2.82Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; S89-H92 PolarHBondContact OG-ND1 3.11Å
90R38.3Very low41.9Very low217 Ų217139.5 Ų139.582%0.81965%0.65SS**  trans-58.4123.2171.9-83.6-175.4-88.7178.1-5.6104.9R88 H92R88-R90 PolarHBondContact O-N 3.4Å; R90-H92 PolarHBondContact O-N 2.85Å; R90-H92 PolarHBondContact O-ND1 2.83Å
91Y38.5Very low42.4Very low235 Ų235137 Ų13792%0.92264%0.642SS**  trans-30.3105.2176.8-115.8-99.4000110.3S89 G93S89-Y91 PolarHBondContact O-N 2.82Å; S89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å
92H45.5Very low43.2Very low76 Ų76134.9 Ų134.935%0.35263%0.632SS.*  trans-73.794.3176.2-78.953000105.9S89 R90 Y94 T125S89-H92 PolarHBondContact OG-ND1 3.11Å; R90-H92 PolarHBondContact O-N 2.85Å; R90-H92 PolarHBondContact O-ND1 2.83Å; H92-Y94 WeakPolarHBondContact O-CD1 3.45Å; H92-Y94 PolarHBondContact O-N 3.42Å; H92-T125 PolarHBondContact CD2-OG1 3.22Å; H92-T125 PolarHBondContact NE2-OG1 2.77Å
93G44.5Very low43.8Very low56 Ų56127.1 Ų127.158%0.57761%0.609SS**  trans-70.378.4170.500000109.2Y91Y91-G93 VanDerWaalsContact C-N 3.32Å; Y91-G93 PolarHBondContact O-N 2.92Å
94Y46.1Very low44.6Very low190 Ų190124.7 Ų124.775%0.74559%0.588SS**  trans-79.8123.8174.856.9-91.4000108.9H92H92-Y94 WeakPolarHBondContact O-CD1 3.45Å; H92-Y94 PolarHBondContact O-N 3.42Å
95T52.5Low45.2Very low94 Ų94115.1 Ų115.158%0.57755%0.547SS*.EExtended strand (participates in β ladder)trans-120.9110.9166.3-57.50000107.9S123T95-S123 PolarHBondContact N-O 3Å; T95-S123 PolarHBondContact O-N 2.85Å
96Y50.3Low45.9Very low132 Ų132108.7 Ų108.752%0.51852%0.521SS..EExtended strand (participates in β ladder)trans-114.4125.3174.7-176.4-101.8000108.7N98 T120 L121Y96-N98 WeakPolarHBondContact CE1-ND2 3.42Å; Y96-N98 VanDerWaalsContact CZ-ND2 3.3Å; Y96-N98 VanDerWaalsContact CZ-OD1 3.26Å; Y96-N98 PolarHBondContact OH-ND2 3.02Å; Y96-N98 PolarHBondContact OH-OD1 3.29Å; Y96-N98 VanDerWaalsContact OH-OD1 3.11Å; Y96-T120 HydrophobicContact CD2-CG2 4.29Å; Y96-T120 HydrophobicContact CE2-CG2 3.47Å; Y96-T120 VanDerWaalsContact CE2-CG2 3.47Å; Y96-L121 WeakPolarHBondContact CA-O 3.15Å
97R49.4Very low46.7Very low75 Ų75105.4 Ų105.428%0.28350%0.498SS..EExtended strand (participates in β ladder)trans-135119.8175.9-175.1173.2176.7-171.9-6.3110.6D99 T120 L121R97-D99 IonicContact CZ-OD2 3.84Å; R97-D99 IonicContact NE-OD2 3.91Å; R97-D99 PolarHBondContact NE-OD2 2.86Å; R97-D99 IonicContact NH2-OD2 2.86Å; R97-D99 PolarHBondContact NH2-OD2 2.99Å; R97-T120 CarbonylContact O-C 3.51Å; R97-T120 WeakPolarHBondContact O-CA 3.42Å; R97-L121 HydrophobicContact CB-CB 4.39Å; R97-L121 PolarHBondContact N-O 2.81Å; R97-L121 PolarHBondContact O-N 3.33Å
98N51.2Low47.1Very low84 Ų84102.5 Ų102.545%0.44950%0.498SS..EExtended strand (participates in β ladder)trans-102140.8164.6-69.6-21.1000109.5Y96 F119 T120Y96-N98 WeakPolarHBondContact CE1-ND2 3.42Å; Y96-N98 VanDerWaalsContact CZ-ND2 3.3Å; Y96-N98 VanDerWaalsContact CZ-OD1 3.26Å; Y96-N98 PolarHBondContact OH-ND2 3.02Å; Y96-N98 PolarHBondContact OH-OD1 3.29Å; Y96-N98 VanDerWaalsContact OH-OD1 3.11Å; N98-F119 VanDerWaalsContact CA-O 3.31Å; N98-F119 WeakPolarHBondContact CA-O 3.39Å; N98-T120 WeakPolarHBondContact OD1-CB 3.42Å; N98-T120 WeakPolarHBondContact OD1-CG2 3.33Å; N98-T120 PolarHBondContact OD1-OG1 2.81Å
99D49.6Very low48Very low67 Ų67101.7 Ų101.736%0.35850%0.5SS..EExtended strand (participates in β ladder)trans-155.3170.7173.3-141.7-33.9000109.6R97 Y118 F119R97-D99 IonicContact CZ-OD2 3.84Å; R97-D99 IonicContact NE-OD2 3.91Å; R97-D99 PolarHBondContact NE-OD2 2.86Å; R97-D99 IonicContact NH2-OD2 2.86Å; R97-D99 PolarHBondContact NH2-OD2 2.99Å; D99-Y118 WeakPolarHBondContact O-CA 3.38Å; D99-F119 HydrophobicContact CB-CD1 4.02Å; D99-F119 HydrophobicContact CB-CD2 3.87Å; D99-F119 HydrophobicContact CB-CE1 3.43Å; D99-F119 VanDerWaalsContact CB-CE1 3.43Å; D99-F119 HydrophobicContact CB-CE2 3.26Å; D99-F119 HydrophobicContact CB-CG 4.25Å; D99-F119 HydrophobicContact CB-CZ 3.05Å; D99-F119 PolarHBondContact N-O 3.04Å; D99-F119 PolarHBondContact O-N 2.79Å
100Q51.8Low49Very low69 Ų69101 Ų10132%0.32251%0.508SS..EExtended strand (participates in β ladder)trans-136.2133.4178.9-177.2-176.10.100110.4Q102 S116 T117 Y118Q100-Q102 HydrophobicContact CG-CG 4.34Å; Q100-S116 PolarHBondContact NE2-OG 2.9Å; Q100-T117 CarbonylContact C-O 3.59Å; Q100-T117 WeakPolarHBondContact CA-O 3.2Å; Q100-Y118 HydrophobicContact CB-CD1 4.15Å; Q100-Y118 HydrophobicContact CB-CE1 4.29Å; Q100-Y118 VanDerWaalsContact CD-CE1 3.45Å; Q100-Y118 HydrophobicContact CG-CD1 4.02Å; Q100-Y118 HydrophobicContact CG-CE1 3.86Å; Q100-Y118 PolarHBondContact NE2-OH 2.76Å
101I49.5Very low49.7Very low98 Ų9891 Ų9150%0.50347%0.472SS..EExtended strand (participates in β ladder)trans-110.7126.1169.7-64.3167.9000107.9S116 T117 F119I101-S116 CarbonylContact O-C 3.53Å; I101-S116 VanDerWaalsContact O-CA 3.29Å; I101-S116 WeakPolarHBondContact O-CA 3.5Å; I101-T117 PolarHBondContact N-O 3.16Å; I101-T117 PolarHBondContact O-N 3.11Å; I101-F119 HydrophobicContact CD1-CD1 4.28Å; I101-F119 HydrophobicContact CD1-CE1 3.81Å; I101-F119 HydrophobicContact CG1-CD1 4.45Å; I101-F119 HydrophobicContact CG1-CE1 3.94Å
102Q52Low50.5Low122 Ų12282.5 Ų82.557%0.5745%0.447SS*.EExtended strand (participates in β ladder)trans-103.5137.4171-59.1-1758.300109.3Q100 E115Q100-Q102 HydrophobicContact CG-CG 4.34Å; Q102-E115 CarbonylContact C-O 3.54Å; Q102-E115 WeakPolarHBondContact CA-O 3.4Å
103S50.1Low51Low36 Ų3681.1 Ų81.125%0.25244%0.439SS..EExtended strand (participates in β ladder)trans-132.9143.2175.9156.60000109S114 E115S103-S114 CarbonylContact O-C 3.44Å; S103-S114 WeakPolarHBondContact O-CA 3.37Å; S103-E115 VanDerWaalsContact CB-CG 3.45Å; S103-E115 WeakPolarHBondContact CB-OE1 3.35Å; S103-E115 PolarHBondContact N-O 3.06Å; S103-E115 PolarHBondContact O-N 2.84Å; S103-E115 PolarHBondContact OG-OE1 2.98Å
104R51.1Low51.5Low107 Ų10780.4 Ų80.440%0.40443%0.425SS..EExtended strand (participates in β ladder)trans-134.6140173.6-65.5-168.1179.9170.39.5108.2Y113 Y179R104-Y113 CarbonylContact C-O 3.48Å; R104-Y113 VanDerWaalsContact CA-O 3.23Å; R104-Y113 WeakPolarHBondContact CA-O 3.39Å; R104-Y179 VanDerWaalsContact CZ-CZ 3.44Å; R104-Y179 VanDerWaalsContact CZ-OH 3.32Å; R104-Y179 PolarHBondContact NH1-OH 3.02Å; R104-Y179 PolarHBondContact NH2-OH 2.97Å
105G52.1Low52Low3 Ų373.6 Ų73.63%0.03140%0.4CS..EExtended strand (participates in β ladder)trans-155.2-179.4179.300000112.7S112 Y113G105-S112 CarbonylContact O-C 3.55Å; G105-S112 WeakPolarHBondContact O-CA 3.17Å; G105-Y113 VanDerWaalsContact C-CD1 3.44Å; G105-Y113 PolarHBondContact N-O 2.79Å; G105-Y113 WeakPolarHBondContact O-CD1 3.31Å; G105-Y113 PolarHBondContact O-N 3.19Å
106N50.2Low51.8Low49 Ų4970.1 Ų70.126%0.26238%0.38SS..EExtended strand (participates in β ladder)trans-103.4129.9172.4-65.5-31.3000108.6G111 K181 D183N106-G111 CarbonylContact C-O 3.54Å; N106-G111 WeakPolarHBondContact CA-O 3.34Å; N106-K181 VanDerWaalsContact ND2-CE 3.31Å; N106-K181 WeakPolarHBondContact ND2-CE 3.3Å; N106-D183 PolarHBondContact ND2-OD1 3.48Å
107S50.4Low51.9Low35 Ų3565.1 Ų65.125%0.24536%0.363CS..  trans-70.2151.4168.266.90000110.2K109 G110 G111S107-K109 PolarHBondContact O-N 3.21Å; S107-G110 PolarHBondContact O-N 2.87Å; S107-G110 VanDerWaalsContact O-N 3.17Å; S107-G111 WeakPolarHBondContact CB-O 3.28Å; S107-G111 PolarHBondContact N-O 3.37Å; S107-G111 VanDerWaalsContact OG-CA 3.3Å; S107-G111 WeakPolarHBondContact OG-CA 3.5Å; S107-G111 PolarHBondContact OG-N 2.78Å; S107-G111 PolarHBondContact OG-O 2.79Å
108A44.4Very low52.3Low97 Ų9766 Ų6680%0.80237%0.367SS*.THydrogen-bonded Turntrans-58.3-16.6-179.200000114.5
109K56.5Low52.5Low201 Ų20163.1 Ų63.187%0.87435%0.351SS*.THydrogen-bonded Turntrans-106.121.5-178-62.1-172.6178.2-175.50114S107S107-K109 PolarHBondContact O-N 3.21Å
110G54.7Low53Low79 Ų7961.4 Ų61.481%0.81434%0.342SS*.SBendtrans82.421.7173.300000115.6S107S107-G110 PolarHBondContact O-N 2.87Å; S107-G110 VanDerWaalsContact O-N 3.17Å
111G53.1Low53.3Low5 Ų559 Ų595%0.05233%0.332CS..  trans-111.4152.4171.800000112.9N106 S107 N144N106-G111 CarbonylContact C-O 3.54Å; N106-G111 WeakPolarHBondContact CA-O 3.34Å; S107-G111 WeakPolarHBondContact CB-O 3.28Å; S107-G111 PolarHBondContact N-O 3.37Å; S107-G111 VanDerWaalsContact OG-CA 3.3Å; S107-G111 WeakPolarHBondContact OG-CA 3.5Å; S107-G111 PolarHBondContact OG-N 2.78Å; S107-G111 PolarHBondContact OG-O 2.79Å; G111-N144 CarbonylContact C-O 3.57Å; G111-N144 VanDerWaalsContact C-O 3.31Å; G111-N144 WeakPolarHBondContact CA-O 3.49Å
112S55.5Low53.9Low58 Ų5856.3 Ų56.341%0.40632%0.317SS..EExtended strand (participates in β ladder)trans-90.9141174.8-60.60000110.9G105 S143 N144G105-S112 CarbonylContact O-C 3.55Å; G105-S112 WeakPolarHBondContact O-CA 3.17Å; S112-S143 CarbonylContact O-C 3.54Å; S112-S143 WeakPolarHBondContact O-CA 3.2Å; S112-N144 PolarHBondContact N-O 3.13Å; S112-N144 WeakPolarHBondContact O-CA 3.47Å; S112-N144 WeakPolarHBondContact O-CB 3.26Å; S112-N144 PolarHBondContact O-N 2.8Å
113Y56.3Low54.3Low47 Ų4753.2 Ų53.218%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-117.915317070.6-87.9000111.5R104 G105 R142R104-Y113 CarbonylContact C-O 3.48Å; R104-Y113 VanDerWaalsContact CA-O 3.23Å; R104-Y113 WeakPolarHBondContact CA-O 3.39Å; G105-Y113 VanDerWaalsContact C-CD1 3.44Å; G105-Y113 PolarHBondContact N-O 2.79Å; G105-Y113 WeakPolarHBondContact O-CD1 3.31Å; G105-Y113 PolarHBondContact O-N 3.19Å; Y113-R142 CarbonylContact C-O 3.59Å; Y113-R142 VanDerWaalsContact CA-O 3.24Å; Y113-R142 WeakPolarHBondContact CA-O 2.95Å
114S55.6Low54.8Low40 Ų4052 Ų5228%0.2830%0.302SS..EExtended strand (participates in β ladder)trans-132.2129.8172.5-175.40000108.2S103 G141 R142S103-S114 CarbonylContact O-C 3.44Å; S103-S114 WeakPolarHBondContact O-CA 3.37Å; S114-G141 CarbonylContact O-C 3.31Å; S114-G141 WeakPolarHBondContact O-CA 3.39Å; S114-R142 PolarHBondContact N-O 3.09Å; S114-R142 PolarHBondContact O-N 3.38Å
115E56.5Low55.2Low48 Ų4849.4 Ų49.422%0.22430%0.298CS..EExtended strand (participates in β ladder)trans-131.1154.317971.1-168.5161.900111Q102 S103 T139 R140 F151Q102-E115 CarbonylContact C-O 3.54Å; Q102-E115 WeakPolarHBondContact CA-O 3.4Å; S103-E115 VanDerWaalsContact CB-CG 3.45Å; S103-E115 WeakPolarHBondContact CB-OE1 3.35Å; S103-E115 PolarHBondContact N-O 3.06Å; S103-E115 PolarHBondContact O-N 2.84Å; S103-E115 PolarHBondContact OG-OE1 2.98Å; E115-T139 HydrophobicContact CB-CG2 4.2Å; E115-R140 CarbonylContact C-O 3.45Å; E115-R140 VanDerWaalsContact CA-O 3.29Å; E115-R140 WeakPolarHBondContact CA-O 3.38Å; E115-F151 HydrophobicContact CB-CE2 4.19Å; E115-F151 HydrophobicContact CB-CZ 3.68Å
116S47.7Very low55.9Low21 Ų2150.8 Ų50.815%0.14731%0.305CS..EExtended strand (participates in β ladder)trans-142.4109.5-177.7-73.60000108.3Q100 I101 T139 R140Q100-S116 PolarHBondContact NE2-OG 2.9Å; I101-S116 CarbonylContact O-C 3.53Å; I101-S116 VanDerWaalsContact O-CA 3.29Å; I101-S116 WeakPolarHBondContact O-CA 3.5Å; S116-T139 CarbonylContact O-C 3.35Å; S116-T139 WeakPolarHBondContact O-CA 3.24Å; S116-R140 PolarHBondContact N-O 3.19Å; S116-R140 PolarHBondContact O-N 3.25Å
117T52.6Low56.6Low27 Ų2758.4 Ų58.417%0.16633%0.33CS..EExtended strand (participates in β ladder)trans-97.5112.3175-53.70000109.5Q100 I101 F137 Q138 T139Q100-T117 CarbonylContact C-O 3.59Å; Q100-T117 WeakPolarHBondContact CA-O 3.2Å; I101-T117 PolarHBondContact N-O 3.16Å; I101-T117 PolarHBondContact O-N 3.11Å; T117-F137 HydrophobicContact CG2-CB 4.46Å; T117-F137 HydrophobicContact CG2-CD1 4.38Å; T117-Q138 CarbonylContact C-O 3.5Å; T117-Q138 WeakPolarHBondContact CA-O 3.29Å; T117-T139 WeakPolarHBondContact CG2-OG1 3.36Å; T117-T139 WeakPolarHBondContact OG1-CG2 3.39Å; T117-T139 PolarHBondContact OG1-OG1 3.24Å
118Y57.7Low57.6Low93 Ų9363.7 Ų63.737%0.36535%0.346SS..EExtended strand (participates in β ladder)trans-83.2133.5165.9-58.7-87.5000108.2D99 Q100 F137 Q138D99-Y118 WeakPolarHBondContact O-CA 3.38Å; Q100-Y118 HydrophobicContact CB-CD1 4.15Å; Q100-Y118 HydrophobicContact CB-CE1 4.29Å; Q100-Y118 VanDerWaalsContact CD-CE1 3.45Å; Q100-Y118 HydrophobicContact CG-CD1 4.02Å; Q100-Y118 HydrophobicContact CG-CE1 3.86Å; Q100-Y118 PolarHBondContact NE2-OH 2.76Å; Y118-F137 CarbonylContact O-C 3.56Å; Y118-F137 WeakPolarHBondContact O-CA 3.34Å; Y118-Q138 PolarHBondContact N-O 3.24Å; Y118-Q138 PolarHBondContact O-N 3.49Å
119F54.1Low58.4Low24 Ų2461.4 Ų61.411%0.10533%0.332CS..EExtended strand (participates in β ladder)trans-126.3135.6172.163.8-101.5000111.3N98 D99 I101 L121 R136 F137N98-F119 VanDerWaalsContact CA-O 3.31Å; N98-F119 WeakPolarHBondContact CA-O 3.39Å; D99-F119 HydrophobicContact CB-CD1 4.02Å; D99-F119 HydrophobicContact CB-CD2 3.87Å; D99-F119 HydrophobicContact CB-CE1 3.43Å; D99-F119 VanDerWaalsContact CB-CE1 3.43Å; D99-F119 HydrophobicContact CB-CE2 3.26Å; D99-F119 HydrophobicContact CB-CG 4.25Å; D99-F119 HydrophobicContact CB-CZ 3.05Å; D99-F119 PolarHBondContact N-O 3.04Å; D99-F119 PolarHBondContact O-N 2.79Å; I101-F119 HydrophobicContact CD1-CD1 4.28Å; I101-F119 HydrophobicContact CD1-CE1 3.81Å; I101-F119 HydrophobicContact CG1-CD1 4.45Å; I101-F119 HydrophobicContact CG1-CE1 3.94Å; F119-L121 HydrophobicContact CD2-CD1 4.03Å; F119-L121 HydrophobicContact CD2-CD2 4.39Å; F119-L121 HydrophobicContact CD2-CG 3.91Å; F119-L121 HydrophobicContact CE2-CD1 3.98Å; F119-L121 HydrophobicContact CE2-CG 4.35Å; F119-R136 CarbonylContact C-O 3.59Å; F119-R136 VanDerWaalsContact CA-O 3.28Å; F119-R136 WeakPolarHBondContact CA-O 3.47Å; F119-F137 HydrophobicContact CB-CD1 3.56Å; F119-F137 HydrophobicContact CB-CE1 3.64Å; F119-F137 HydrophobicContact CB-CG 4.37Å; F119-F137 HydrophobicContact CG-CE1 4.35Å
120T60.1Low58.4Low30 Ų3059.2 Ų59.218%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-115.8122.8171.2-64.60000107.1Y96 R97 N98 S135 R136Y96-T120 HydrophobicContact CD2-CG2 4.29Å; Y96-T120 HydrophobicContact CE2-CG2 3.47Å; Y96-T120 VanDerWaalsContact CE2-CG2 3.47Å; R97-T120 CarbonylContact O-C 3.51Å; R97-T120 WeakPolarHBondContact O-CA 3.42Å; N98-T120 WeakPolarHBondContact OD1-CB 3.42Å; N98-T120 WeakPolarHBondContact OD1-CG2 3.33Å; N98-T120 PolarHBondContact OD1-OG1 2.81Å; T120-S135 CarbonylContact O-C 3.56Å; T120-S135 WeakPolarHBondContact O-CA 3.29Å; T120-R136 PolarHBondContact N-O 3Å; T120-R136 PolarHBondContact O-N 2.96Å
121L58.7Low58.8Low19 Ų1964.1 Ų64.110%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-113.6123175.6-52.5174.3000107.6Y96 R97 F119 S135 F137 I161 T163Y96-L121 WeakPolarHBondContact CA-O 3.15Å; R97-L121 HydrophobicContact CB-CB 4.39Å; R97-L121 PolarHBondContact N-O 2.81Å; R97-L121 PolarHBondContact O-N 3.33Å; F119-L121 HydrophobicContact CD2-CD1 4.03Å; F119-L121 HydrophobicContact CD2-CD2 4.39Å; F119-L121 HydrophobicContact CD2-CG 3.91Å; F119-L121 HydrophobicContact CE2-CD1 3.98Å; F119-L121 HydrophobicContact CE2-CG 4.35Å; L121-S135 WeakPolarHBondContact CD2-OG 3.37Å; L121-F137 HydrophobicContact CD2-CZ 4.05Å; L121-I161 HydrophobicContact CD2-CD1 4.49Å; L121-T163 HydrophobicContact CD1-CG2 3.15Å
122H63.3Low59.2Low42 Ų4267 Ų6719%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-121.2123.3177.1-176.681.7000108.6N132 D133 Y134H122-N132 PolarHBondContact CD2-O 3.4Å; H122-N132 PolarHBondContact NE2-O 3.49Å; H122-D133 WeakPolarHBondContact O-CA 3.46Å; H122-Y134 WeakPolarHBondContact CA-O 3.36Å; H122-Y134 HydrophobicContact CB-CD1 3.64Å; H122-Y134 HydrophobicContact CB-CE1 3.39Å; H122-Y134 HydrophobicContact CB-CE2 4.3Å; H122-Y134 HydrophobicContact CB-CG 4.19Å; H122-Y134 WeakPolarHBondContact CB-O 3.33Å; H122-Y134 AromaticContact CD2-CD1 3.53Å; H122-Y134 AromaticContact CD2-CE1 3.42Å; H122-Y134 VanDerWaalsContact CD2-CE1 3.42Å; H122-Y134 WeakPolarHBondContact CD2-CE1 3.37Å; H122-Y134 AromaticContact CG-CD1 3.81Å; H122-Y134 AromaticContact CG-CE1 3.41Å; H122-Y134 VanDerWaalsContact CG-CE1 3.41Å; H122-Y134 PolarHBondContact N-O 2.76Å; H122-Y134 PolarHBondContact O-N 2.82Å; H122-Y134 VanDerWaalsContact O-O 3.06Å
123S59.4Low59.5Low56 Ų5664.7 Ų64.739%0.39231%0.309SS..EExtended strand (participates in β ladder)trans-131132.1167.2-173.60000109.2T95 D133T95-S123 PolarHBondContact N-O 3Å; T95-S123 PolarHBondContact O-N 2.85Å; S123-D133 WeakPolarHBondContact CA-OD1 3.31Å; S123-D133 WeakPolarHBondContact CB-OD1 3.37Å; S123-D133 PolarHBondContact OG-OD1 3.13Å
124G61.6Low59.8Low11 Ų1166.1 Ų66.111%0.11332%0.315CS..SBendtrans162.1-165.6-177.300000113.1N132 D133G124-N132 PolarHBondContact O-N 3.32Å; G124-D133 PolarHBondContact N-OD1 3.4Å
125T59.4Low59.9Low53 Ų5364.4 Ų64.433%0.32530%0.303SS..BIsolated β-bridgetrans-113.1142.9176.150.40000110.5H92 R130H92-T125 PolarHBondContact CD2-OG1 3.22Å; H92-T125 PolarHBondContact NE2-OG1 2.77Å; T125-R130 CarbonylContact C-O 3.4Å; T125-R130 VanDerWaalsContact CA-O 3.22Å; T125-R130 WeakPolarHBondContact CA-O 3.47Å
126D66.1Low59.9Low32 Ų3267.7 Ų67.717%0.17131%0.313CS..  trans-69176.1169.176.51.8000111.2Y128 G129 R130 N132D126-Y128 PolarHBondContact O-N 2.79Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.29Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.31Å; D126-Y128 PolarHBondContact OD1-N 2.66Å; D126-G129 PolarHBondContact O-N 3.23Å; D126-G129 PolarHBondContact OD1-N 3.16Å; D126-R130 PolarHBondContact N-O 2.69Å; D126-R130 WeakPolarHBondContact OD1-CB 3.4Å; D126-R130 PolarHBondContact OD1-N 2.86Å; D126-R130 IonicContact OD1-NE 3.64Å; D126-R130 IonicContact OD2-CZ 3.67Å; D126-R130 VanDerWaalsContact OD2-CZ 3.24Å; D126-R130 IonicContact OD2-NE 2.79Å; D126-R130 PolarHBondContact OD2-NE 2.79Å; D126-R130 IonicContact OD2-NH2 3.59Å; D126-R130 PolarHBondContact OD2-NH2 3.08Å; D126-N132 HydrophobicContact CB-CB 4.36Å
127R64.4Low60.6Low209 Ų20968.6 Ų68.679%0.78931%0.314SS*.THydrogen-bonded Turntrans-59.3-11178.669.4-176-177.8-1650.1115
128Y71.6Confident60.9Low146 Ų14669.9 Ų69.957%0.57332%0.318SS*.THydrogen-bonded Turntrans-104.37.4177.9-54.9-73.1000112.2D126 R130D126-Y128 PolarHBondContact O-N 2.79Å; D126-Y128 WeakPolarHBondContact OD1-CA 3.29Å; D126-Y128 WeakPolarHBondContact OD1-CB 3.31Å; D126-Y128 PolarHBondContact OD1-N 2.66Å; Y128-R130 PolarHBondContact O-N 3.47Å
129G61.4Low60.8Low49 Ų4966.2 Ų66.251%0.50531%0.306SS..SBendtrans74.311-177.300000113.9D126D126-G129 PolarHBondContact O-N 3.23Å; D126-G129 PolarHBondContact OD1-N 3.16Å
130R56.9Low60.7Low155 Ų15571.1 Ų71.159%0.58532%0.324SS*.  trans-82.5139177.1-57.8-179.9-62.1179.62.5109.4T125 D126 Y128 N132T125-R130 CarbonylContact C-O 3.4Å; T125-R130 VanDerWaalsContact CA-O 3.22Å; T125-R130 WeakPolarHBondContact CA-O 3.47Å; D126-R130 PolarHBondContact N-O 2.69Å; D126-R130 WeakPolarHBondContact OD1-CB 3.4Å; D126-R130 PolarHBondContact OD1-N 2.86Å; D126-R130 IonicContact OD1-NE 3.64Å; D126-R130 IonicContact OD2-CZ 3.67Å; D126-R130 VanDerWaalsContact OD2-CZ 3.24Å; D126-R130 IonicContact OD2-NE 2.79Å; D126-R130 PolarHBondContact OD2-NE 2.79Å; D126-R130 IonicContact OD2-NH2 3.59Å; D126-R130 PolarHBondContact OD2-NH2 3.08Å; Y128-R130 PolarHBondContact O-N 3.47Å; R130-N132 PolarHBondContact O-N 3.32Å
131R62.1Low60.7Low181 Ų18170 Ų7068%0.68332%0.318SS*.BIsolated β-bridgetrans-59.9124.1176.8-165.5175.597-150.6-3109.8D133 N160R131-D133 WeakPolarHBondContact CD-OD2 3.36Å; R131-D133 WeakPolarHBondContact CG-OD2 3.36Å; R131-D133 IonicContact CZ-OD2 3.51Å; R131-D133 IonicContact NE-OD2 2.84Å; R131-D133 PolarHBondContact NE-OD2 3.47Å; R131-N160 PolarHBondContact NH2-OD1 3.23Å
132N61.1Low60.3Low65 Ų6574.9 Ų74.935%0.34834%0.335SS..  trans-129.583178.6-174.134.9000108.2H122 G124 D126 R130H122-N132 PolarHBondContact CD2-O 3.4Å; H122-N132 PolarHBondContact NE2-O 3.49Å; G124-N132 PolarHBondContact O-N 3.32Å; D126-N132 HydrophobicContact CB-CB 4.36Å; R130-N132 PolarHBondContact O-N 3.32Å
133D63.3Low59.9Low11 Ų1174.3 Ų74.36%0.05934%0.336CS..  trans-102.7114.6174.5-56.1-54.7000108.4H122 S123 G124 R131 G159 N160H122-D133 WeakPolarHBondContact O-CA 3.46Å; S123-D133 WeakPolarHBondContact CA-OD1 3.31Å; S123-D133 WeakPolarHBondContact CB-OD1 3.37Å; S123-D133 PolarHBondContact OG-OD1 3.13Å; G124-D133 PolarHBondContact N-OD1 3.4Å; R131-D133 WeakPolarHBondContact CD-OD2 3.36Å; R131-D133 WeakPolarHBondContact CG-OD2 3.36Å; R131-D133 IonicContact CZ-OD2 3.51Å; R131-D133 IonicContact NE-OD2 2.84Å; R131-D133 PolarHBondContact NE-OD2 3.47Å; D133-G159 WeakPolarHBondContact CB-O 3.37Å; D133-G159 PolarHBondContact O-N 3.23Å; D133-N160 PolarHBondContact OD2-OD1 3.22Å
134Y63Low59.2Low76 Ų7677.2 Ų77.230%0.29835%0.347SS..EExtended strand (participates in β ladder)trans-138.9150.3175.180.5-91.2000110.5H122 V157H122-Y134 WeakPolarHBondContact CA-O 3.36Å; H122-Y134 HydrophobicContact CB-CD1 3.64Å; H122-Y134 HydrophobicContact CB-CE1 3.39Å; H122-Y134 HydrophobicContact CB-CE2 4.3Å; H122-Y134 HydrophobicContact CB-CG 4.19Å; H122-Y134 WeakPolarHBondContact CB-O 3.33Å; H122-Y134 AromaticContact CD2-CD1 3.53Å; H122-Y134 AromaticContact CD2-CE1 3.42Å; H122-Y134 VanDerWaalsContact CD2-CE1 3.42Å; H122-Y134 WeakPolarHBondContact CD2-CE1 3.37Å; H122-Y134 AromaticContact CG-CD1 3.81Å; H122-Y134 AromaticContact CG-CE1 3.41Å; H122-Y134 VanDerWaalsContact CG-CE1 3.41Å; H122-Y134 PolarHBondContact N-O 2.76Å; H122-Y134 PolarHBondContact O-N 2.82Å; H122-Y134 VanDerWaalsContact O-O 3.06Å; Y134-V157 CarbonylContact C-O 3.56Å; Y134-V157 WeakPolarHBondContact CA-O 3.39Å
135S57.7Low58.7Low4 Ų478.1 Ų78.13%0.02836%0.356CS..EExtended strand (participates in β ladder)trans-133.9130.1174.9-640000109T120 L121 D156 V157 I161T120-S135 CarbonylContact O-C 3.56Å; T120-S135 WeakPolarHBondContact O-CA 3.29Å; L121-S135 WeakPolarHBondContact CD2-OG 3.37Å; S135-D156 CarbonylContact O-C 3.57Å; S135-D156 WeakPolarHBondContact O-CA 3.34Å; S135-V157 PolarHBondContact N-O 3.39Å; S135-V157 PolarHBondContact O-N 2.98Å; S135-I161 VanDerWaalsContact OG-CD1 3.26Å; S135-I161 WeakPolarHBondContact OG-CD1 3.1Å
136R55.4Low57.7Low118 Ų11887.1 Ų87.145%0.44539%0.386SS..EExtended strand (participates in β ladder)trans-113.3131178.8175166.1-71174.1-0.7109.1F119 T120 V154 D156F119-R136 CarbonylContact C-O 3.59Å; F119-R136 VanDerWaalsContact CA-O 3.28Å; F119-R136 WeakPolarHBondContact CA-O 3.47Å; T120-R136 PolarHBondContact N-O 3Å; T120-R136 PolarHBondContact O-N 2.96Å; R136-V154 HydrophobicContact CG-CG1 4.45Å; R136-D156 WeakPolarHBondContact CB-OD1 3.38Å; R136-D156 WeakPolarHBondContact CG-OD1 3.4Å; R136-D156 IonicContact CZ-OD1 3.54Å; R136-D156 IonicContact CZ-OD2 2.78Å; R136-D156 IonicContact NE-OD1 3.48Å; R136-D156 PolarHBondContact NE-OD1 3.03Å; R136-D156 IonicContact NE-OD2 2.77Å; R136-D156 IonicContact NH2-OD1 2.84Å; R136-D156 IonicContact NH2-OD2 3.24Å; R136-D156 PolarHBondContact NH2-OD2 3.35Å
137F61.8Low56.8Low40 Ų4094.6 Ų94.618%0.17541%0.412CS..EExtended strand (participates in β ladder)trans-119.8124.7175.3-62.6-96.2000108.6T117 Y118 F119 L121 V154 F155 V157 I161T117-F137 HydrophobicContact CG2-CB 4.46Å; T117-F137 HydrophobicContact CG2-CD1 4.38Å; Y118-F137 CarbonylContact O-C 3.56Å; Y118-F137 WeakPolarHBondContact O-CA 3.34Å; F119-F137 HydrophobicContact CB-CD1 3.56Å; F119-F137 HydrophobicContact CB-CE1 3.64Å; F119-F137 HydrophobicContact CB-CG 4.37Å; F119-F137 HydrophobicContact CG-CE1 4.35Å; L121-F137 HydrophobicContact CD2-CZ 4.05Å; F137-V154 WeakPolarHBondContact O-CA 3.33Å; F137-F155 HydrophobicContact CB-CD1 3.96Å; F137-F155 HydrophobicContact CB-CD2 4.09Å; F137-F155 HydrophobicContact CB-CE1 3.44Å; F137-F155 VanDerWaalsContact CB-CE1 3.44Å; F137-F155 HydrophobicContact CB-CE2 3.6Å; F137-F155 HydrophobicContact CB-CG 4.27Å; F137-F155 HydrophobicContact CB-CZ 3.24Å; F137-F155 HydrophobicContact CD1-CE2 4.46Å; F137-F155 HydrophobicContact CD1-CZ 4.14Å; F137-F155 AromaticContact CD2-CD2 3.92Å; F137-F155 HydrophobicContact CD2-CD2 3.92Å; F137-F155 AromaticContact CD2-CE2 3.3Å; F137-F155 HydrophobicContact CD2-CE2 3.3Å; F137-F155 AromaticContact CD2-CZ 3.77Å; F137-F155 HydrophobicContact CD2-CZ 3.77Å; F137-F155 HydrophobicContact CE2-CE2 4.07Å; F137-F155 HydrophobicContact CG-CD2 4.33Å; F137-F155 HydrophobicContact CG-CE1 4.19Å; F137-F155 AromaticContact CG-CE2 3.54Å; F137-F155 HydrophobicContact CG-CE2 3.54Å; F137-F155 AromaticContact CG-CZ 3.46Å; F137-F155 HydrophobicContact CG-CZ 3.46Å; F137-F155 VanDerWaalsContact CG-CZ 3.46Å; F137-F155 PolarHBondContact N-O 3.44Å; F137-F155 PolarHBondContact O-N 3.15Å; F137-V157 HydrophobicContact CD2-CG2 4.2Å; F137-V157 HydrophobicContact CE2-CG2 4Å; F137-I161 HydrophobicContact CE2-CD1 3.86Å; F137-I161 HydrophobicContact CZ-CD1 4.03Å
138Q60.8Low56.1Low53 Ų5391.6 Ų91.625%0.24841%0.407CS..EExtended strand (participates in β ladder)trans-123.5104177.6176.3169.669.800109.2T117 Y118 R140 L152 N153 V154T117-Q138 CarbonylContact C-O 3.5Å; T117-Q138 WeakPolarHBondContact CA-O 3.29Å; Y118-Q138 PolarHBondContact N-O 3.24Å; Y118-Q138 PolarHBondContact O-N 3.49Å; Q138-R140 HydrophobicContact CG-CG 4.38Å; Q138-L152 HydrophobicContact CG-CD1 3.71Å; Q138-N153 CarbonylContact C-O 3.49Å; Q138-N153 WeakPolarHBondContact CA-O 3.29Å; Q138-V154 HydrophobicContact CB-CG2 4.27Å; Q138-V154 HydrophobicContact CG-CG2 3.94Å
139T54.6Low55.1Low16 Ų1687.9 Ų87.910%0.09840%0.397CS..EExtended strand (participates in β ladder)trans-94.8126.2174.4-53.20000110.3E115 S116 T117 F151 L152 N153E115-T139 HydrophobicContact CB-CG2 4.2Å; S116-T139 CarbonylContact O-C 3.35Å; S116-T139 WeakPolarHBondContact O-CA 3.24Å; T117-T139 WeakPolarHBondContact CG2-OG1 3.36Å; T117-T139 WeakPolarHBondContact OG1-CG2 3.39Å; T117-T139 PolarHBondContact OG1-OG1 3.24Å; T139-F151 HydrophobicContact CG2-CE2 3.81Å; T139-L152 CarbonylContact O-C 3.57Å; T139-L152 WeakPolarHBondContact O-CA 3.23Å; T139-N153 PolarHBondContact N-O 2.97Å; T139-N153 PolarHBondContact O-N 3.24Å
140R52.5Low54.8Low128 Ų12891.4 Ų91.448%0.48340%0.401SS..EExtended strand (participates in β ladder)trans-119.6130.9171.8-61.3-175.6-169.2-171.95.2109E115 S116 Q138 F151 L152E115-R140 CarbonylContact C-O 3.45Å; E115-R140 VanDerWaalsContact CA-O 3.29Å; E115-R140 WeakPolarHBondContact CA-O 3.38Å; S116-R140 PolarHBondContact N-O 3.19Å; S116-R140 PolarHBondContact O-N 3.25Å; Q138-R140 HydrophobicContact CG-CG 4.38Å; R140-F151 CarbonylContact C-O 3.6Å; R140-F151 VanDerWaalsContact CA-O 3.31Å; R140-F151 WeakPolarHBondContact CA-O 3.42Å; R140-L152 HydrophobicContact CG-CD1 3.66Å
141G58.7Low54.9Low7 Ų785.9 Ų85.97%0.07238%0.382CS..EExtended strand (participates in β ladder)trans-148.4168.9174.400000113.7S114 M150 F151S114-G141 CarbonylContact O-C 3.31Å; S114-G141 WeakPolarHBondContact O-CA 3.39Å; G141-M150 CarbonylContact O-C 3.56Å; G141-M150 VanDerWaalsContact O-CA 3.25Å; G141-M150 WeakPolarHBondContact O-CA 3.25Å; G141-F151 PolarHBondContact N-O 3.47Å; G141-F151 PolarHBondContact O-N 3.3Å
142R51.1Low54.5Low120 Ų12081 Ų8145%0.45337%0.369SS..EExtended strand (participates in β ladder)trans-134.8146175.9-49.4-171.784.7128.1-2108.3Y113 S114 M150Y113-R142 CarbonylContact C-O 3.59Å; Y113-R142 VanDerWaalsContact CA-O 3.24Å; Y113-R142 WeakPolarHBondContact CA-O 2.95Å; S114-R142 PolarHBondContact N-O 3.09Å; S114-R142 PolarHBondContact O-N 3.38Å; R142-M150 HydrophobicContact CG-CG 4.11Å; R142-M150 PolarHBondContact NH1-SD 2.77Å; R142-M150 VanDerWaalsContact NH1-SD 3.38Å
143S54.7Low53.8Low31 Ų3180.1 Ų80.122%0.21736%0.364CS..EExtended strand (participates in β ladder)trans-120.4117.7174.2-175.80000109.9S112 G145 E148S112-S143 CarbonylContact O-C 3.54Å; S112-S143 WeakPolarHBondContact O-CA 3.2Å; S143-G145 PolarHBondContact O-N 3.44Å; S143-E148 VanDerWaalsContact O-CA 3.3Å; S143-E148 WeakPolarHBondContact O-CA 3.36Å
144N44.5Very low53.3Low117 Ų11781.9 Ų81.963%0.62638%0.375SS*.EExtended strand (participates in β ladder)trans-72.674.1165.3-63.70.8000108.5G111 S112G111-N144 CarbonylContact C-O 3.57Å; G111-N144 VanDerWaalsContact C-O 3.31Å; G111-N144 WeakPolarHBondContact CA-O 3.49Å; S112-N144 PolarHBondContact N-O 3.13Å; S112-N144 WeakPolarHBondContact O-CA 3.47Å; S112-N144 WeakPolarHBondContact O-CB 3.26Å; S112-N144 PolarHBondContact O-N 2.8Å
145G51.4Low52.4Low29 Ų2980.5 Ų80.530%0.29937%0.371SS..SBendtrans-153.5-174175.200000109.5S143 R147 E148S143-G145 PolarHBondContact O-N 3.44Å; G145-R147 PolarHBondContact O-N 3.2Å; G145-E148 PolarHBondContact O-N 3.41Å
146Y39.3Very low52.2Low242 Ų24283.8 Ų83.895%0.94939%0.388SS*.THydrogen-bonded Turntrans-49.5-2-167.6-114.5-86.6000118.2
147R45.5Very low52Low190 Ų19079.8 Ų79.872%0.71738%0.377SS*.THydrogen-bonded Turntrans-139.30.4178.1-64.8-167.8171.3-174.9-4.1116.6G145 N149G145-R147 PolarHBondContact O-N 3.2Å; R147-N149 PolarHBondContact O-N 2.8Å; R147-N149 PolarHBondContact O-OD1 2.96Å
148E50.2Low51.6Low146 Ų14683 Ų8368%0.68240%0.4SS*.  trans43.422.7-178.7-68.3-166.5173.700116.4S143 G145 M150S143-E148 VanDerWaalsContact O-CA 3.3Å; S143-E148 WeakPolarHBondContact O-CA 3.36Å; G145-E148 PolarHBondContact O-N 3.41Å; E148-M150 PolarHBondContact O-N 2.63Å; E148-M150 VanDerWaalsContact O-N 3.14Å
149N50.2Low50.9Low67 Ų6781.5 Ų81.536%0.35840%0.398SS..  trans-70.5122.3-165.3-79.2-19.4000109.4R147R147-N149 PolarHBondContact O-N 2.8Å; R147-N149 PolarHBondContact O-OD1 2.96Å
150M56Low50.4Low123 Ų12386 Ų8661%0.60642%0.421SS*.  trans-71.3133162.7-61.1-163.1-57.400108.2G141 R142 E148G141-M150 CarbonylContact O-C 3.56Å; G141-M150 VanDerWaalsContact O-CA 3.25Å; G141-M150 WeakPolarHBondContact O-CA 3.25Å; R142-M150 HydrophobicContact CG-CG 4.11Å; R142-M150 PolarHBondContact NH1-SD 2.77Å; R142-M150 VanDerWaalsContact NH1-SD 3.38Å; E148-M150 PolarHBondContact O-N 2.63Å; E148-M150 VanDerWaalsContact O-N 3.14Å
151F59.8Low50Low39 Ų3983.1 Ų83.117%0.17142%0.415CS..EExtended strand (participates in β ladder)trans-114.6137.7169.561.6-88.7000109.8E115 T139 R140 G141E115-F151 HydrophobicContact CB-CE2 4.19Å; E115-F151 HydrophobicContact CB-CZ 3.68Å; T139-F151 HydrophobicContact CG2-CE2 3.81Å; R140-F151 CarbonylContact C-O 3.6Å; R140-F151 VanDerWaalsContact CA-O 3.31Å; R140-F151 WeakPolarHBondContact CA-O 3.42Å; G141-F151 PolarHBondContact N-O 3.47Å; G141-F151 PolarHBondContact O-N 3.3Å
152L52.8Low49.1Very low78 Ų7892 Ų9241%0.40845%0.452SS..EExtended strand (participates in β ladder)trans-122.8116.3171.5173.665.9000107.2Q138 T139 R140 V154Q138-L152 HydrophobicContact CG-CD1 3.71Å; T139-L152 CarbonylContact O-C 3.57Å; T139-L152 WeakPolarHBondContact O-CA 3.23Å; R140-L152 HydrophobicContact CG-CD1 3.66Å; L152-V154 HydrophobicContact CD1-CG2 4.01Å; L152-V154 HydrophobicContact CG-CG2 4.19Å
153N47.2Very low48.4Very low47 Ų4789.9 Ų89.925%0.25145%0.452SS..EExtended strand (participates in β ladder)trans-116.8121.1172.6-68.8-49.5000108.3Q138 T139 S228Q138-N153 CarbonylContact C-O 3.49Å; Q138-N153 WeakPolarHBondContact CA-O 3.29Å; T139-N153 PolarHBondContact N-O 2.97Å; T139-N153 PolarHBondContact O-N 3.24Å; N153-S228 PolarHBondContact OD1-N 3.46Å
154V51.8Low47.2Very low49 Ų4994.4 Ų94.430%0.29748%0.478SS..EExtended strand (participates in β ladder)trans-117.9127.2172.9-176.70000107.7R136 F137 Q138 L152 S228R136-V154 HydrophobicContact CG-CG1 4.45Å; F137-V154 WeakPolarHBondContact O-CA 3.33Å; Q138-V154 HydrophobicContact CB-CG2 4.27Å; Q138-V154 HydrophobicContact CG-CG2 3.94Å; L152-V154 HydrophobicContact CD1-CG2 4.01Å; L152-V154 HydrophobicContact CG-CG2 4.19Å; V154-S228 WeakPolarHBondContact O-CB 3.33Å; V154-S228 PolarHBondContact O-OG 2.98Å
155F43.5Very low46.5Very low47 Ų4797.2 Ų97.221%0.20648%0.48CS..EExtended strand (participates in β ladder)trans-137.9141.4170.162.4-87.1000110F137 V157F137-F155 HydrophobicContact CB-CD1 3.96Å; F137-F155 HydrophobicContact CB-CD2 4.09Å; F137-F155 HydrophobicContact CB-CE1 3.44Å; F137-F155 VanDerWaalsContact CB-CE1 3.44Å; F137-F155 HydrophobicContact CB-CE2 3.6Å; F137-F155 HydrophobicContact CB-CG 4.27Å; F137-F155 HydrophobicContact CB-CZ 3.24Å; F137-F155 HydrophobicContact CD1-CE2 4.46Å; F137-F155 HydrophobicContact CD1-CZ 4.14Å; F137-F155 AromaticContact CD2-CD2 3.92Å; F137-F155 HydrophobicContact CD2-CD2 3.92Å; F137-F155 AromaticContact CD2-CE2 3.3Å; F137-F155 HydrophobicContact CD2-CE2 3.3Å; F137-F155 AromaticContact CD2-CZ 3.77Å; F137-F155 HydrophobicContact CD2-CZ 3.77Å; F137-F155 HydrophobicContact CE2-CE2 4.07Å; F137-F155 HydrophobicContact CG-CD2 4.33Å; F137-F155 HydrophobicContact CG-CE1 4.19Å; F137-F155 AromaticContact CG-CE2 3.54Å; F137-F155 HydrophobicContact CG-CE2 3.54Å; F137-F155 AromaticContact CG-CZ 3.46Å; F137-F155 HydrophobicContact CG-CZ 3.46Å; F137-F155 VanDerWaalsContact CG-CZ 3.46Å; F137-F155 PolarHBondContact N-O 3.44Å; F137-F155 PolarHBondContact O-N 3.15Å; F155-V157 HydrophobicContact CD2-CG2 3.86Å; F155-V157 HydrophobicContact CE2-CG2 3.97Å
156D54.9Low45.3Very low73 Ų73102.9 Ų102.939%0.3950%0.504SS..EExtended strand (participates in β ladder)trans-104.9134.3177-70.2-18.2000108.3S135 R136S135-D156 CarbonylContact O-C 3.57Å; S135-D156 WeakPolarHBondContact O-CA 3.34Å; R136-D156 WeakPolarHBondContact CB-OD1 3.38Å; R136-D156 WeakPolarHBondContact CG-OD1 3.4Å; R136-D156 IonicContact CZ-OD1 3.54Å; R136-D156 IonicContact CZ-OD2 2.78Å; R136-D156 IonicContact NE-OD1 3.48Å; R136-D156 PolarHBondContact NE-OD1 3.03Å; R136-D156 IonicContact NE-OD2 2.77Å; R136-D156 IonicContact NH2-OD1 2.84Å; R136-D156 IonicContact NH2-OD2 3.24Å; R136-D156 PolarHBondContact NH2-OD2 3.35Å
157V50.2Low44.8Very low34 Ų34100 Ų10021%0.20650%0.496CS..EExtended strand (participates in β ladder)trans-115114.7174.8-179.10000107.3Y134 S135 F137 F155 I161Y134-V157 CarbonylContact C-O 3.56Å; Y134-V157 WeakPolarHBondContact CA-O 3.39Å; S135-V157 PolarHBondContact N-O 3.39Å; S135-V157 PolarHBondContact O-N 2.98Å; F137-V157 HydrophobicContact CD2-CG2 4.2Å; F137-V157 HydrophobicContact CE2-CG2 4Å; F155-V157 HydrophobicContact CD2-CG2 3.86Å; F155-V157 HydrophobicContact CE2-CG2 3.97Å; V157-I161 HydrophobicContact CB-CD1 3.87Å; V157-I161 HydrophobicContact CG1-CD1 3.69Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.37Å
158V53.3Low43.9Very low108 Ų108101.4 Ų101.466%0.65550%0.502SS*.EExtended strand (participates in β ladder)trans-96122.1177.8-177.70000108.4
159G47.7Very low42.8Very low21 Ų21103.9 Ų103.922%0.21651%0.51CS..SBendtrans131.1-176.4-178.100000114.2D133 I161D133-G159 WeakPolarHBondContact CB-O 3.37Å; D133-G159 PolarHBondContact O-N 3.23Å; G159-I161 PolarHBondContact O-N 2.7Å; G159-I161 VanDerWaalsContact O-N 3.15Å
160N43Very low41.8Very low109 Ų109106.3 Ų106.358%0.58352%0.522SS*.  trans-82.796.4-170.9-62.223.6000110.6R131 D133 K162R131-N160 PolarHBondContact NH2-OD1 3.23Å; D133-N160 PolarHBondContact OD2-OD1 3.22Å; N160-K162 PolarHBondContact O-N 2.77Å
161I44.5Very low40.5Very low68 Ų68103.9 Ų103.935%0.34951%0.514SS..  trans-83112.9168.7-55.9-163000109.3L121 S135 F137 V157 G159 T163L121-I161 HydrophobicContact CD2-CD1 4.49Å; S135-I161 VanDerWaalsContact OG-CD1 3.26Å; S135-I161 WeakPolarHBondContact OG-CD1 3.1Å; F137-I161 HydrophobicContact CE2-CD1 3.86Å; F137-I161 HydrophobicContact CZ-CD1 4.03Å; V157-I161 HydrophobicContact CB-CD1 3.87Å; V157-I161 HydrophobicContact CG1-CD1 3.69Å; V157-I161 HydrophobicContact CG1-CG1 4.05Å; V157-I161 HydrophobicContact CG2-CD1 4.37Å; G159-I161 PolarHBondContact O-N 2.7Å; G159-I161 VanDerWaalsContact O-N 3.15Å; I161-T163 PolarHBondContact O-N 3.04Å
162K39.9Very low39.1Very low195 Ų195111.1 Ų111.185%0.84855%0.545SS*.  trans-77.1119.5169-71.1-174.9178.8-178.80109.3N160 T164N160-K162 PolarHBondContact O-N 2.77Å; K162-T164 PolarHBondContact O-N 2.92Å
163T36.8Very low38.1Very low75 Ų75111.1 Ų111.146%0.4655%0.552SS.*  trans-87.7103.5169.344.90000110.6L121 I161 R165L121-T163 HydrophobicContact CD1-CG2 3.15Å; I161-T163 PolarHBondContact O-N 3.04Å; T163-R165 PolarHBondContact O-N 3.42Å
164T29Very low37.4Very low125 Ų125113.8 Ų113.877%0.76756%0.563SS**  trans-78.3102.6168-28.10000107.9K162 N166K162-T164 PolarHBondContact O-N 2.92Å; T164-N166 PolarHBondContact O-N 3.31Å
165R29.9Very low36.5Very low176 Ų176119.3 Ų119.366%0.66458%0.583SS**  trans-73.989.9176.2-151.4-178.6-161.8-170.55.1108T163 K167T163-R165 PolarHBondContact O-N 3.42Å; R165-K167 PolarHBondContact O-N 3.28Å
166N26.6Very low36.1Very low149 Ų149123.1 Ų123.180%0.79761%0.605SS**  trans-64.991.8165.1-89.2-11.6000107.7T164 R168T164-N166 PolarHBondContact O-N 3.31Å; N166-R168 PolarHBondContact O-N 3Å
167K27.7Very low34.9Very low180 Ų180122.4 Ų122.478%0.78362%0.615SS**  trans-69.569.6168.1-73-175.8178.8178.40108.4R165 K169R165-K167 PolarHBondContact O-N 3.28Å; K167-K169 PolarHBondContact O-N 3.11Å
168R27.3Very low34Very low221 Ų221131.5 Ų131.583%0.83465%0.646SS**  trans-69.6124.2156.1-98.3-176.4158-180-6106.4N166 I170N166-R168 PolarHBondContact O-N 3Å; R168-I170 PolarHBondContact O-N 3.4Å
169K27.2Very low33.2Very low198 Ų198133.4 Ų133.486%0.86164%0.642SS**  trans-54.4109169.5-100179.8174.5175.90106.8K167 T171K167-K169 PolarHBondContact O-N 3.11Å; K169-T171 PolarHBondContact O-N 3.46Å
170I27.9Very low32.6Very low117 Ų117138.8 Ų138.860%0.667%0.665SS**  trans-60.2111.4171-58.7176000105.8R168 E174 K175R168-I170 PolarHBondContact O-N 3.4Å; I170-E174 WeakPolarHBondContact CA-OE2 2.88Å; I170-E174 HydrophobicContact CG2-CB 3.63Å; I170-K175 HydrophobicContact CG2-CG 4.1Å
171T29.6Very low32.2Very low73 Ų73139.8 Ų139.845%0.44866%0.664SS.*  trans-72.6155.5178.649.60000109.2K169 S173 E174 K175K169-T171 PolarHBondContact O-N 3.46Å; T171-S173 PolarHBondContact O-N 3.16Å; T171-S173 PolarHBondContact OG1-OG 3.09Å; T171-S173 VanDerWaalsContact OG1-OG 3.04Å; T171-E174 PolarHBondContact N-OE2 3.47Å; T171-E174 VanDerWaalsContact N-OE2 3.09Å; T171-E174 PolarHBondContact O-N 3.19Å; T171-E174 PolarHBondContact OG1-OE2 3.28Å; T171-K175 PolarHBondContact O-N 3.5Å
172K31Very low31.9Very low191 Ų191143.2 Ų143.283%0.8368%0.676SS**THydrogen-bonded Turntrans-55.2-23-178.7-77.1-177.7177.5179.30113.1
173S32Very low31.6Very low78 Ų78138.3 Ų138.355%0.54566%0.66SS.*THydrogen-bonded Turntrans-70.6-35.217449.50000113.5T171 N176T171-S173 PolarHBondContact O-N 3.16Å; T171-S173 PolarHBondContact OG1-OG 3.09Å; T171-S173 VanDerWaalsContact OG1-OG 3.04Å; S173-N176 PolarHBondContact O-N 2.91Å
174E31.4Very low31.6Very low103 Ų103140.9 Ų140.948%0.48167%0.666SS.*THydrogen-bonded Turntrans-78.6-24178.7-69.4172.3141.900112.3I170 T171 N176I170-E174 WeakPolarHBondContact CA-OE2 2.88Å; I170-E174 HydrophobicContact CG2-CB 3.63Å; T171-E174 PolarHBondContact N-OE2 3.47Å; T171-E174 VanDerWaalsContact N-OE2 3.09Å; T171-E174 PolarHBondContact O-N 3.19Å; T171-E174 PolarHBondContact OG1-OE2 3.28Å; E174-N176 VanDerWaalsContact C-N 3.25Å; E174-N176 PolarHBondContact O-N 3.29Å
175K33.6Very low31.9Very low164 Ų164142.2 Ų142.271%0.71367%0.665SS**THydrogen-bonded Turntrans-68.8-21.2170.8-97.5-173.9174.5-175.10113.6I170 T171I170-K175 HydrophobicContact CG2-CG 4.1Å; T171-K175 PolarHBondContact O-N 3.5Å
176N35.3Very low32.1Very low128 Ų128139.7 Ų139.768%0.68467%0.665SS**THydrogen-bonded Turntrans-100.448.7179.3-79.1-0.8000111.9S173 E174 R178S173-N176 PolarHBondContact O-N 2.91Å; E174-N176 VanDerWaalsContact C-N 3.25Å; E174-N176 PolarHBondContact O-N 3.29Å; N176-R178 PolarHBondContact O-N 3.44Å
177G29.5Very low32.4Very low58 Ų58141.5 Ų141.560%0.59868%0.675SS**THydrogen-bonded Turntrans49.820.2157.400000118.6Y179G177-Y179 PolarHBondContact O-N 3.08Å
178R30.2Very low32.6Very low224 Ų224143 Ų14385%0.84568%0.675SS**  trans-86.894.4179.1-79.3-170.6-171.7-166.53.1109.3N176 I180N176-R178 PolarHBondContact O-N 3.44Å; R178-I180 PolarHBondContact O-N 2.76Å
179Y37.3Very low32.9Very low148 Ų148140.5 Ų140.558%0.5868%0.679SS**  trans-13.1115159.8-57.4-70.3000115.6R104 G177 K181R104-Y179 VanDerWaalsContact CZ-CZ 3.44Å; R104-Y179 VanDerWaalsContact CZ-OH 3.32Å; R104-Y179 PolarHBondContact NH1-OH 3.02Å; R104-Y179 PolarHBondContact NH2-OH 2.97Å; G177-Y179 PolarHBondContact O-N 3.08Å; Y179-K181 PolarHBondContact O-N 3.38Å
180I34.2Very low33.2Very low134 Ų134135.9 Ų135.969%0.68767%0.671SS**  trans-79.795.1159.8-58.3176.3000106.4R178 K182R178-I180 PolarHBondContact O-N 2.76Å; I180-K182 PolarHBondContact O-N 2.73Å
181K36Very low33.7Very low130 Ų130137.9 Ų137.957%0.56568%0.683SS**  trans-72.9105.4169-162.7-174.2-175.5-161.80107N106 Y179 D183N106-K181 VanDerWaalsContact ND2-CE 3.31Å; N106-K181 WeakPolarHBondContact ND2-CE 3.3Å; Y179-K181 PolarHBondContact O-N 3.38Å; K181-D183 PolarHBondContact O-N 3.14Å
182K36.7Very low34.2Very low140 Ų140139.8 Ų139.861%0.60970%0.695SS**BIsolated β-bridgetrans-75.1104.4166.8-80.5-174.5176.5-179.50107.8I180 H184I180-K182 PolarHBondContact O-N 2.73Å; K182-H184 PolarHBondContact O-N 3Å
183D33.5Very low34.5Very low93 Ų93136 Ų13650%0.49768%0.684SS.*  trans-75103.5167.1-95.5-27.9000108.8N106 K181 M185N106-D183 PolarHBondContact ND2-OD1 3.48Å; K181-D183 PolarHBondContact O-N 3.14Å; D183-M185 PolarHBondContact O-N 2.79Å; D183-M185 VanDerWaalsContact O-N 3.16Å
184H38.3Very low35.2Very low129 Ų129139.7 Ų139.760%0.59770%0.696SS**THydrogen-bonded Turntrans-71.63176.5-83.7-69.7000114K182K182-H184 PolarHBondContact O-N 3Å
185M35.5Very low35.7Very low153 Ų153141.7 Ų141.775%0.75471%0.71SS**THydrogen-bonded Turntrans-108-2.7-175.8-77.5-152.7145.900115.7D183D183-M185 PolarHBondContact O-N 2.79Å; D183-M185 VanDerWaalsContact O-N 3.16Å
186N33.3Very low35.9Very low123 Ų123141.2 Ų141.266%0.65871%0.71SS**  trans-142107.5171.5-78.7-46000109.9R188N186-R188 PolarHBondContact O-N 3Å
187N32.9Very low36Very low186 Ų186144.4 Ų144.4100%0.99572%0.718SS**  trans-73.846.4171.1-138.915.5000110.6
188R32.7Very low36.3Very low212 Ų212145.6 Ų145.680%0.872%0.715SS**SBendtrans-119.9117.4171.6-82.6-175.1174.8170.8-0.8106N186 S190N186-R188 PolarHBondContact O-N 3Å; R188-S190 VanDerWaalsContact C-N 3.26Å; R188-S190 PolarHBondContact O-N 3.17Å
189D33.3Very low36.4Very low169 Ų169144.3 Ų144.390%0.90472%0.719SS**  trans-52.294.6165.2-65.6-48.3000108.1N191D189-N191 VanDerWaalsContact C-N 3.31Å; D189-N191 PolarHBondContact O-N 2.97Å
190S34Very low36.2Very low100 Ų100146.6 Ų146.670%0.69973%0.728SS**  trans-74.295.4179.175.10000106.9R188 T192R188-S190 VanDerWaalsContact C-N 3.26Å; R188-S190 PolarHBondContact O-N 3.17Å; S190-T192 PolarHBondContact O-N 3.05Å
191N36.5Very low36.1Very low159 Ų159145.8 Ų145.885%0.8573%0.734SS**  trans-55.5105.3166.9-148.81.7000107.1D189 N193D189-N191 VanDerWaalsContact C-N 3.31Å; D189-N191 PolarHBondContact O-N 2.97Å; N191-N193 VanDerWaalsContact C-N 3.29Å; N191-N193 PolarHBondContact O-N 3.27Å
192T40.5Very low35.8Very low114 Ų114149.5 Ų149.570%0.69975%0.75SS**  trans-68.888.1179420000108.9S190 I194S190-T192 PolarHBondContact O-N 3.05Å; T192-I194 WeakPolarHBondContact O-CG1 3.41Å; T192-I194 PolarHBondContact O-N 3.11Å
193N38.2Very low35.4Very low112 Ų112146.7 Ų146.760%0.59975%0.748SS**  trans-75.7105.4163.5-155.1-3.8000107.3N191 N195N191-N193 VanDerWaalsContact C-N 3.29Å; N191-N193 PolarHBondContact O-N 3.27Å; N193-N195 PolarHBondContact O-N 3.24Å
194I46.5Very low35.4Very low154 Ų154148 Ų14879%0.7976%0.761SS**THydrogen-bonded Turntrans-75.46.6-163.7-31.4176000112.3T192T192-I194 WeakPolarHBondContact O-CG1 3.41Å; T192-I194 PolarHBondContact O-N 3.11Å
195N42.1Very low35.1Very low145 Ų145146.9 Ų146.978%0.77576%0.764SS**THydrogen-bonded Turntrans-120.31.4-172.8-72.9-19.9000114.9N193 K197N193-N195 PolarHBondContact O-N 3.24Å; N195-K197 PolarHBondContact O-N 3.23Å
196E36.8Very low34.9Very low154 Ų154148.3 Ų148.372%0.7277%0.766SS**  trans-87102.4173-78.8178.1179.500109.7P198E196-P198 VanDerWaalsContact O-CD 3.29Å; E196-P198 WeakPolarHBondContact O-CD 3.3Å
197K37.2Very low34.7Very low196 Ų196151.9 Ų151.985%0.85278%0.778SS**  trans-55.9119.6165.2-89.7-178.3175.7176.60107.7N195 E199N195-K197 PolarHBondContact O-N 3.23Å; K197-E199 PolarHBondContact O-N 3.34Å; K197-E199 VanDerWaalsContact O-N 3.11Å
198P36.3Very low34.4Very low83 Ų83146.4 Ų146.454%0.53977%0.766SS.*  trans-66.5115.6173.323.5-27.4000108.7E196 Y200E196-P198 VanDerWaalsContact O-CD 3.29Å; E196-P198 WeakPolarHBondContact O-CD 3.3Å; P198-Y200 HydrophobicContact CB-CE2 4.18Å; P198-Y200 HydrophobicContact CG-CE2 3.69Å; P198-Y200 VanDerWaalsContact O-CD2 3.29Å; P198-Y200 WeakPolarHBondContact O-CD2 3.36Å; P198-Y200 PolarHBondContact O-N 3.17Å; P198-Y200 VanDerWaalsContact O-N 3.08Å
199E33.1Very low34.1Very low197 Ų197139.7 Ų139.792%0.92176%0.763SS**  trans-64.2103164.5-94.8-176.7152.600108.4K197 S201K197-E199 PolarHBondContact O-N 3.34Å; K197-E199 VanDerWaalsContact O-N 3.11Å; E199-S201 PolarHBondContact O-N 2.99Å
200Y32Very low33.8Very low196 Ų196142.9 Ų142.977%0.76976%0.764SS**  trans-78.4114.2171-66.1-79.1000109.3P198 K202P198-Y200 HydrophobicContact CB-CE2 4.18Å; P198-Y200 HydrophobicContact CG-CE2 3.69Å; P198-Y200 VanDerWaalsContact O-CD2 3.29Å; P198-Y200 WeakPolarHBondContact O-CD2 3.36Å; P198-Y200 PolarHBondContact O-N 3.17Å; P198-Y200 VanDerWaalsContact O-N 3.08Å; Y200-K202 PolarHBondContact O-N 3.2Å
201S32.1Very low33.4Very low117 Ų117149.5 Ų149.582%0.81877%0.773SS**  trans-56.4119.6161.4174.10000109.2E199 S203E199-S201 PolarHBondContact O-N 2.99Å; S201-S203 PolarHBondContact O-N 3.07Å
202K29.8Very low32.9Very low207 Ų207147.3 Ų147.390%0.977%0.771SS**  trans-65.896.1179.4-70.8178.4179.1176.60109.8Y200Y200-K202 PolarHBondContact O-N 3.2Å
203S29.1Very low32.3Very low82 Ų82150 Ų15057%0.57378%0.78SS**  trans-100.2132.3165.6-172.30000110.3S201 V205S201-S203 PolarHBondContact O-N 3.07Å; S203-V205 PolarHBondContact O-N 2.64Å
204P33Very low31.6Very low120 Ų120152.9 Ų152.978%0.77979%0.79SS**THydrogen-bonded Turntrans-75.113.1-166.1-12.328.5000116.3
205V33.2Very low30.7Very low106 Ų106154.3 Ų154.364%0.64279%0.79SS**THydrogen-bonded Turntrans-98.8-0.5-156.2-172.30000114.6S203S203-V205 PolarHBondContact O-N 2.64Å
206F29.9Very low30Very low183 Ų183154.2 Ų154.280%0.80379%0.79SS**  trans-121.743.7-171.3-70.8-79.8000115.3
207Q30.5Very low29.5Very low197 Ų197156 Ų15692%0.92180%0.796SS**  trans-97.123.4-178.4-143.8169.414.500114.9
208G26.7Very low29.1Very low71 Ų71153 Ų15373%0.73279%0.794SS**SBendtrans-133.6103.9-177.900000113
209G25.5Very low28.7Very low71 Ų71154.4 Ų154.473%0.73280%0.801SS**  trans-63.7148.5-171.800000116.2R211G209-R211 PolarHBondContact O-N 2.89Å
210Y26.2Very low28.5Very low236 Ų236152.9 Ų152.993%0.92580%0.799SS**  trans-60.7110.4173.7-65.2-89000111.2
211R26Very low28.3Very low239 Ų239154.4 Ų154.490%0.90281%0.805SS**  trans-96.1121.6161.9-81-175.8163.3-132.6-1.3109.1G209G209-R211 PolarHBondContact O-N 2.89Å
212S26.1Very low27.9Very low113 Ų113152 Ų15279%0.7980%0.799SS**  trans-66.2134.1173.3590000111.1
213L27.9Very low27.7Very low171 Ų171150.1 Ų150.190%0.89580%0.798SS**  trans-128.596.3163.9-87.2160.3000109
214E24.4Very low27.7Very low172 Ų172149.8 Ų149.880%0.80480%0.796SS**  trans-56.4161.4148.8-69.5177.3146.600110.2
215K26.4Very low27.4Very low184 Ų184149.5 Ų149.580%0.880%0.797SS**  trans81.896.5172.4-67.7-177.8172.21790116.8
216N27.9Very low27Very low144 Ų144149.1 Ų149.177%0.7779%0.791SS**  158.896.5108.4-78.5-29.7000109.5
217F26.1Very low26.9Very low192 Ų192144.3 Ų144.384%0.84279%0.785SS**  trans-86.9106.6165.5-83.3-81.3000108.8
218T28.7Very low26.6Very low133 Ų133137.6 Ų137.682%0.81676%0.76SS**  trans-121.8111.1160.118.80000107.7
219T27.4Very low26.9Very low111 Ų111139.6 Ų139.668%0.68175%0.753SS**  trans-70.1127.3177.240.30000111.1
220N30.1Very low26.9Very low165 Ų165141.5 Ų141.588%0.88275%0.752SS**  trans-129.2115.6151.2-83.9-32.2000107.9G222N220-G222 PolarHBondContact O-N 3.35Å
221Y26.7Very low26.9Very low229 Ų229136 Ų13690%0.89874%0.738SS**  trans-61.1127.6179-76.8-96.3000110.5
222G25.4Very low27Very low66 Ų66130.2 Ų130.268%0.6873%0.734SS**  trans-154.698.817200000109.7N220N220-G222 PolarHBondContact O-N 3.35Å
223N25.8Very low26.9Very low168 Ų168128.1 Ų128.190%0.89873%0.731SS**  trans25.5103.2155.6-62.5-12.1000118.3
224S27.8Very low27Very low74 Ų74128.3 Ų128.352%0.51772%0.724SS.*  -173.4104.1124.666.60000112.7
225S26.6Very low27.1Very low115 Ų115129.1 Ų129.180%0.80473%0.728SS**  trans18.997.8138.7440000119.1
226N25.8Very low27.3Very low98 Ų98125.7 Ų125.752%0.52473%0.728SS.*  trans-153.2102.4153.3-103.2-16.3000107.8
227A26.4Very low27.2Very low82 Ų82127.5 Ų127.568%0.67873%0.731SS**  trans-160.3106.1167.800000111.5
228S25.7Very low27.7Very low55 Ų55130.5 Ų130.539%0.38576%0.755SS.*  trans50.9128.7137.929.90000123.2N153 V154N153-S228 PolarHBondContact OD1-N 3.46Å; V154-S228 WeakPolarHBondContact O-CB 3.33Å; V154-S228 PolarHBondContact O-OG 2.98Å
229I31.9Very low27.7Very low114 Ų114130.4 Ų130.459%0.58575%0.752SS**  trans-61.6166171-54.7151.8000113.2L231I229-L231 HydrophobicContact CG2-CD1 4.24Å
230P25.9Very low27.7Very low111 Ų111131.4 Ų131.472%0.72176%0.755SS**  trans-128.3128.4134.633.6-21.6000114.3
231L25.4Very low27.6Very low121 Ų121129.5 Ų129.563%0.63475%0.748SS**  trans-72.2124.2159.7-85.294.6000108.2I229I229-L231 HydrophobicContact CG2-CD1 4.24Å
232S28.8Very low27.6Very low116 Ų116123.6 Ų123.681%0.81174%0.739SS**  trans-129.6107.1169.81550000109
233G25.3Very low27.7Very low70 Ų70127.3 Ų127.372%0.72274%0.743SS**  trans-108.6125.3157.600000109.6
234K29.9Very low27.9Very low175 Ų175124.5 Ų124.576%0.76173%0.733SS**  trans-152.3113.2152-75.4-168179.2175.80105.7
235Q25.6Very low27.9Very low188 Ų188128.1 Ų128.188%0.87975%0.748SS**  57.410382.4-84.3-174.3-23.300114.6
236S30.4Very low28Very low113 Ų113129.2 Ų129.279%0.7974%0.744SS**  trans48.1123137.6-1650000119.9
237Q26.6Very low28.2Very low181 Ų181131.8 Ų131.885%0.84676%0.762SS**  -177.7142.9114.9-96.117215.400110.9
238L36.3Very low28.3Very low255 Ų255136.3 Ų136.3100%1.33577%0.77SS**  trans85.90-179.4-60.4167.4000116.6

Retrieved 238 of 238 residues in 106 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).