A0A5K4FBD5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FBD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low47.3Very low244 Ų244119.3 Ų119.3100%1.20264%0.64SS**  095.50-77.1170.1147.200105.3
2S49.3Very low47.4Very low119 Ų119114.2 Ų114.283%0.83262%0.619SS**  trans-139135-178.4-59.50000107
3D47.2Very low47.6Very low113 Ų113116.4 Ų116.460%0.60462%0.62SS**  trans-37.7124.1-167.6-70.4-70.4000117.6D6D3-D6 HydrophobicContact CB-CB 4.24Å; D3-D6 WeakPolarHBondContact CB-OD2 3.31Å; D3-D6 VanDerWaalsContact CG-OD2 3.31Å
4S53.1Low47.8Very low112 Ų112112.4 Ų112.478%0.78361%0.605SS**SBendtrans-94-3.4157.960.40000112.7
5S51.3Low48.2Very low75 Ų75112.8 Ų112.852%0.52460%0.6SS.*SBendtrans-79.1-48178.9-177.10000111.6Y7 H8S5-Y7 PolarHBondContact O-N 3.38Å; S5-H8 PolarHBondContact O-N 3.34Å
6D47.7Very low48.4Very low91 Ų91110.8 Ų110.849%0.48759%0.589SS.*Hα-helixtrans-66.1-24.4-176.7-66-38.8000113.5D3 H8 C10D3-D6 HydrophobicContact CB-CB 4.24Å; D3-D6 WeakPolarHBondContact CB-OD2 3.31Å; D3-D6 VanDerWaalsContact CG-OD2 3.31Å; D6-H8 VanDerWaalsContact C-N 3.33Å; D6-C10 WeakPolarHBondContact O-CB 3.35Å; D6-C10 PolarHBondContact O-N 2.88Å; D6-C10 VanDerWaalsContact O-N 3.16Å; D6-C10 PolarHBondContact O-SG 3.44Å
7Y46.2Very low48.8Very low153 Ų153111.4 Ų111.460%0.659%0.587SS**Hα-helixtrans-73.3-27.5-179.1-155-97.9000112.5S5 R11S5-Y7 PolarHBondContact O-N 3.38Å; Y7-R11 PolarHBondContact O-N 3.44Å
8H44.8Very low49.1Very low85 Ų85116.5 Ų116.539%0.39460%0.597SS.*Hα-helixtrans-79.2-45.3178.7-147.5-70.1000111S5 D6 C10 R11 C12 N69S5-H8 PolarHBondContact O-N 3.34Å; D6-H8 VanDerWaalsContact C-N 3.33Å; H8-C10 VanDerWaalsContact C-N 3.31Å; H8-C10 PolarHBondContact O-N 3.45Å; H8-R11 PolarHBondContact O-N 2.87Å; H8-R11 VanDerWaalsContact O-N 3.09Å; H8-C12 PolarHBondContact O-N 3.25Å; H8-N69 PolarHBondContact CE1-ND2 3.4Å; H8-N69 PolarHBondContact NE2-ND2 3.31Å; H8-N69 VanDerWaalsContact NE2-ND2 3.1Å; H8-N69 PolarHBondContact NE2-OD1 2.96Å
9D47.2Very low49.3Very low107 Ų107112.4 Ų112.457%0.57258%0.576SS**Hα-helixtrans-60.2-40.1175.9-79.9-19.8000112R11 C12 F13D9-R11 VanDerWaalsContact C-N 3.35Å; D9-R11 PolarHBondContact O-N 2.91Å; D9-C12 PolarHBondContact O-N 3.29Å; D9-F13 VanDerWaalsContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CB 3.21Å; D9-F13 PolarHBondContact O-N 3.07Å
10C46.8Very low49.2Very low79 Ų79109.8 Ų109.853%0.53457%0.568SS.*Hα-helixtrans-62.9-38175.5-74.40000113D6 H8 S14D6-C10 WeakPolarHBondContact O-CB 3.35Å; D6-C10 PolarHBondContact O-N 2.88Å; D6-C10 VanDerWaalsContact O-N 3.16Å; D6-C10 PolarHBondContact O-SG 3.44Å; H8-C10 VanDerWaalsContact C-N 3.31Å; H8-C10 PolarHBondContact O-N 3.45Å; C10-S14 WeakPolarHBondContact O-CB 3.38Å; C10-S14 PolarHBondContact O-N 3.47Å; C10-S14 PolarHBondContact O-OG 3.47Å
11R46.4Very low49.2Very low134 Ų134106.5 Ų106.551%0.50656%0.562SS.*Hα-helixtrans-72.5-41179-75.8-164.9-175.9-151.81.7111.8Y7 H8 D9 S14 F15Y7-R11 PolarHBondContact O-N 3.44Å; H8-R11 PolarHBondContact O-N 2.87Å; H8-R11 VanDerWaalsContact O-N 3.09Å; D9-R11 VanDerWaalsContact C-N 3.35Å; D9-R11 PolarHBondContact O-N 2.91Å; R11-S14 PolarHBondContact O-N 3.01Å; R11-F15 WeakPolarHBondContact O-CB 3.46Å; R11-F15 PolarHBondContact O-N 2.84Å
12C49Very low49.7Very low58 Ų58101.4 Ų101.439%0.39253%0.533SS..Hα-helixtrans-62.5-44173.8-73.20000111.5H8 D9 S14 F15 L16H8-C12 PolarHBondContact O-N 3.25Å; D9-C12 PolarHBondContact O-N 3.29Å; C12-S14 PolarHBondContact O-N 3.33Å; C12-F15 PolarHBondContact O-N 3.3Å; C12-L16 WeakPolarHBondContact O-CB 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.48Å; C12-L16 PolarHBondContact O-N 3.37Å
13F50.1Low49.5Very low143 Ų14398.7 Ų98.763%0.62751%0.508SS*.Hα-helixtrans-61.9-44.6176.6-170.3-93.5000112D9 F15 L16 Q17D9-F13 VanDerWaalsContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CB 3.21Å; D9-F13 PolarHBondContact O-N 3.07Å; F13-F15 VanDerWaalsContact C-N 3.34Å; F13-F15 PolarHBondContact O-N 3.45Å; F13-L16 PolarHBondContact O-N 3.32Å; F13-Q17 WeakPolarHBondContact O-CB 2.89Å; F13-Q17 PolarHBondContact O-N 3.41Å
14S49.3Very low49.4Very low60 Ų6097.7 Ų97.742%0.4251%0.506SS..Hα-helixtrans-62.8-39.4177.3-55.80000112.5C10 R11 C12 R18C10-S14 WeakPolarHBondContact O-CB 3.38Å; C10-S14 PolarHBondContact O-N 3.47Å; C10-S14 PolarHBondContact O-OG 3.47Å; R11-S14 PolarHBondContact O-N 3.01Å; C12-S14 PolarHBondContact O-N 3.33Å; S14-R18 WeakPolarHBondContact O-CG 3.49Å; S14-R18 PolarHBondContact O-N 3.33Å
15F53.7Low49Very low119 Ų11995.1 Ų95.152%0.52249%0.489SS..Hα-helixtrans-68.3-46.3178-178.2-106.6000111.5R11 C12 F13 Q17 R18 I19R11-F15 WeakPolarHBondContact O-CB 3.46Å; R11-F15 PolarHBondContact O-N 2.84Å; C12-F15 PolarHBondContact O-N 3.3Å; F13-F15 VanDerWaalsContact C-N 3.34Å; F13-F15 PolarHBondContact O-N 3.45Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 3.17Å; F15-R18 PolarHBondContact O-N 3.48Å; F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.24Å; F15-I19 PolarHBondContact O-N 3Å
16L51.4Low48.5Very low80 Ų8093.9 Ų93.942%0.41948%0.48SS..Hα-helixtrans-62.8-36.3175.1-70.5173.3000112C12 F13 I19 S20C12-L16 WeakPolarHBondContact O-CB 3.25Å; C12-L16 WeakPolarHBondContact O-CG 3.48Å; C12-L16 PolarHBondContact O-N 3.37Å; F13-L16 PolarHBondContact O-N 3.32Å; L16-I19 PolarHBondContact O-N 2.89Å; L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-OG 2.82Å
17Q55.9Low48.1Very low121 Ų12194.4 Ų94.457%0.56548%0.479SS*.Hα-helixtrans-69.5-34.8176.1-166.6176.93.900112.6F13 F15 S20 G21F13-Q17 WeakPolarHBondContact O-CB 2.89Å; F13-Q17 PolarHBondContact O-N 3.41Å; F15-Q17 VanDerWaalsContact C-N 3.3Å; F15-Q17 PolarHBondContact O-N 3.17Å; Q17-S20 WeakPolarHBondContact CA-OG 3.38Å; Q17-S20 PolarHBondContact O-OG 3.11Å; Q17-G21 PolarHBondContact O-N 3.2Å
18R54.1Low47.7Very low204 Ų20489.2 Ų89.277%0.7747%0.468SS*.Hα-helixtrans-71.3-40.2172.6-78-177.3179.3178.10.2112S14 F15 G21 F22S14-R18 WeakPolarHBondContact O-CG 3.49Å; S14-R18 PolarHBondContact O-N 3.33Å; F15-R18 PolarHBondContact O-N 3.48Å; R18-G21 PolarHBondContact O-N 3.5Å; R18-F22 WeakPolarHBondContact O-CB 3.08Å; R18-F22 PolarHBondContact O-N 2.88Å
19I53.4Low47.6Very low39 Ų3991.2 Ų91.220%0.248%0.475CS..Hα-helixtrans-66.9-42.9175.4-71.4178.3000110.5F15 L16 G21 F22 I23 I79F15-I19 HydrophobicContact CD1-CD1 3.66Å; F15-I19 HydrophobicContact CD2-CD1 4.46Å; F15-I19 HydrophobicContact CE1-CD1 3.15Å; F15-I19 HydrophobicContact CE1-CG1 4.3Å; F15-I19 HydrophobicContact CE2-CD1 4.03Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.38Å; F15-I19 HydrophobicContact CZ-CG1 4.32Å; F15-I19 WeakPolarHBondContact O-CG1 3.24Å; F15-I19 PolarHBondContact O-N 3Å; L16-I19 PolarHBondContact O-N 2.89Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.01Å; I19-F22 CarbonylContact O-C 3.56Å; I19-F22 WeakPolarHBondContact O-CA 3.4Å; I19-F22 WeakPolarHBondContact O-CB 3.42Å; I19-F22 PolarHBondContact O-N 2.87Å; I19-F22 VanDerWaalsContact O-N 3.09Å; I19-I23 HydrophobicContact CG2-CD1 3.54Å; I19-I23 HydrophobicContact CG2-CG1 4.04Å; I19-I23 WeakPolarHBondContact O-CB 3.44Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.11Å; I19-I79 HydrophobicContact CD1-CD1 4.27Å
20S47.5Very low47.2Very low59 Ų5990.6 Ų90.641%0.41347%0.469SS..Hα-helixtrans-63.8-40.9176.368.90000111L16 Q17 F22 I23 V24L16-S20 WeakPolarHBondContact O-CB 3.31Å; L16-S20 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-OG 2.82Å; Q17-S20 WeakPolarHBondContact CA-OG 3.38Å; Q17-S20 PolarHBondContact O-OG 3.11Å; S20-F22 VanDerWaalsContact C-N 3.29Å; S20-F22 PolarHBondContact O-N 2.8Å; S20-I23 PolarHBondContact O-N 3.11Å; S20-V24 VanDerWaalsContact O-CB 3.28Å; S20-V24 WeakPolarHBondContact O-CB 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.07Å
21G48.7Very low46.7Very low42 Ų4291.6 Ų91.643%0.43347%0.467SS..Hα-helixtrans-61.3-35.6171.100000113.2Q17 R18 I19 S25Q17-G21 PolarHBondContact O-N 3.2Å; R18-G21 PolarHBondContact O-N 3.5Å; I19-G21 VanDerWaalsContact C-N 3.33Å; I19-G21 PolarHBondContact O-N 3.01Å; G21-S25 WeakPolarHBondContact O-CB 3.42Å; G21-S25 PolarHBondContact O-N 2.98Å
22F50.1Low46.7Very low136 Ų13692.9 Ų92.960%0.59648%0.476SS*.Hα-helixtrans-72.4-45.5176.2-171.6-93.7000112.3R18 I19 S20 S25 S26R18-F22 WeakPolarHBondContact O-CB 3.08Å; R18-F22 PolarHBondContact O-N 2.88Å; I19-F22 CarbonylContact O-C 3.56Å; I19-F22 WeakPolarHBondContact O-CA 3.4Å; I19-F22 WeakPolarHBondContact O-CB 3.42Å; I19-F22 PolarHBondContact O-N 2.87Å; I19-F22 VanDerWaalsContact O-N 3.09Å; S20-F22 VanDerWaalsContact C-N 3.29Å; S20-F22 PolarHBondContact O-N 2.8Å; F22-S25 CarbonylContact O-C 3.55Å; F22-S25 PolarHBondContact O-N 2.77Å; F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 2.74Å
23I46.7Very low46.4Very low62 Ų6297.5 Ų97.532%0.31849%0.492SS..Hα-helixtrans-62-49.1177.1-67.1169.6000109.2I19 S20 S25 S26 E27I19-I23 HydrophobicContact CG2-CD1 3.54Å; I19-I23 HydrophobicContact CG2-CG1 4.04Å; I19-I23 WeakPolarHBondContact O-CB 3.44Å; I19-I23 VanDerWaalsContact O-CG1 3.28Å; I19-I23 WeakPolarHBondContact O-CG1 3.34Å; I19-I23 PolarHBondContact O-N 3.11Å; S20-I23 PolarHBondContact O-N 3.11Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.99Å; I23-S26 PolarHBondContact O-N 2.85Å; I23-S26 VanDerWaalsContact O-N 3.11Å; I23-E27 HydrophobicContact CG2-CG 4.48Å; I23-E27 WeakPolarHBondContact O-CB 3.28Å; I23-E27 PolarHBondContact O-N 3.13Å
24V43.8Very low46Very low92 Ų9298.1 Ų98.156%0.55850%0.497SS*.Hα-helixtrans-63-38.8177.2174.10000111.2S20 S26 A28S20-V24 VanDerWaalsContact O-CB 3.28Å; S20-V24 WeakPolarHBondContact O-CB 3.32Å; S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.07Å; V24-S26 VanDerWaalsContact C-N 3.34Å; V24-A28 WeakPolarHBondContact O-CB 3.33Å; V24-A28 PolarHBondContact O-N 3.07Å
25S44Very low45.6Very low59 Ų59100.9 Ų100.941%0.41350%0.503SS..Hα-helixtrans-73.9-24176-172.80000113.4G21 F22 I23 K29G21-S25 WeakPolarHBondContact O-CB 3.42Å; G21-S25 PolarHBondContact O-N 2.98Å; F22-S25 CarbonylContact O-C 3.55Å; F22-S25 PolarHBondContact O-N 2.77Å; I23-S25 VanDerWaalsContact C-N 3.32Å; I23-S25 PolarHBondContact O-N 2.99Å; S25-K29 WeakPolarHBondContact O-CB 3.41Å; S25-K29 VanDerWaalsContact O-CG 3.31Å; S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 3.47Å
26S41.9Very low45Very low48 Ų48105.1 Ų105.134%0.33652%0.516SS..Hα-helixtrans-81.3-44.1176.8-151.20000110.4F22 I23 V24 A28 K29 Q30F22-S26 VanDerWaalsContact O-CB 3.24Å; F22-S26 WeakPolarHBondContact O-CB 3.43Å; F22-S26 PolarHBondContact O-N 2.74Å; I23-S26 PolarHBondContact O-N 2.85Å; I23-S26 VanDerWaalsContact O-N 3.11Å; V24-S26 VanDerWaalsContact C-N 3.34Å; S26-A28 VanDerWaalsContact C-N 3.34Å; S26-A28 PolarHBondContact O-N 3.24Å; S26-K29 PolarHBondContact O-N 2.75Å; S26-K29 VanDerWaalsContact O-N 3.11Å; S26-Q30 PolarHBondContact O-N 3.09Å
27E40.2Very low44.6Very low103 Ų103107.7 Ų107.748%0.48153%0.53SS..Hα-helixtrans-60.9-42.2170.1-78-176.8140.500110.8I23 K29 Q30 M31I23-E27 HydrophobicContact CG2-CG 4.48Å; I23-E27 WeakPolarHBondContact O-CB 3.28Å; I23-E27 PolarHBondContact O-N 3.13Å; E27-K29 PolarHBondContact O-N 2.9Å; E27-Q30 PolarHBondContact O-N 2.88Å; E27-M31 HydrophobicContact CB-CE 4.08Å; E27-M31 WeakPolarHBondContact O-CB 3.5Å; E27-M31 WeakPolarHBondContact O-CG 3.49Å; E27-M31 PolarHBondContact O-N 3.29Å
28A36.9Very low43.8Very low43 Ų43110 Ų11036%0.35554%0.541SS..Hα-helixtrans-69.5-18.2175.300000114.1V24 S26 K32V24-A28 WeakPolarHBondContact O-CB 3.33Å; V24-A28 PolarHBondContact O-N 3.07Å; S26-A28 VanDerWaalsContact C-N 3.34Å; S26-A28 PolarHBondContact O-N 3.24Å; A28-K32 WeakPolarHBondContact O-CG 3.45Å
29K41.9Very low43Very low127 Ų127108.6 Ų108.655%0.55254%0.543SS*.Hα-helixtrans-88.2-35.8172.3-85.9179.2178.1-179.70112S25 S26 E27 E33S25-K29 WeakPolarHBondContact O-CB 3.41Å; S25-K29 VanDerWaalsContact O-CG 3.31Å; S25-K29 WeakPolarHBondContact O-CG 3.43Å; S25-K29 PolarHBondContact O-N 3.47Å; S26-K29 PolarHBondContact O-N 2.75Å; S26-K29 VanDerWaalsContact O-N 3.11Å; E27-K29 PolarHBondContact O-N 2.9Å; K29-E33 PolarHBondContact O-N 2.93Å
30Q39.2Very low42.2Very low94 Ų94115.7 Ų115.744%0.43958%0.58SS.*Hα-helixtrans-70.8-42.3175.1-76.6-179.3-40.500111.6S26 E27 K32 E33 E34 F88S26-Q30 PolarHBondContact O-N 3.09Å; E27-Q30 PolarHBondContact O-N 2.88Å; Q30-K32 PolarHBondContact O-N 3.42Å; Q30-E33 PolarHBondContact O-N 3.4Å; Q30-E34 PolarHBondContact O-N 3.17Å; Q30-F88 PolarHBondContact NE2-O 3.23Å
31M37.5Very low41.5Very low101 Ų101115.7 Ų115.750%0.49859%0.589SS.*Hα-helixtrans-61.3-31.5175.3-73.5-170.3-90.100112.5E27 E33 E35E27-M31 HydrophobicContact CB-CE 4.08Å; E27-M31 WeakPolarHBondContact O-CB 3.5Å; E27-M31 WeakPolarHBondContact O-CG 3.49Å; E27-M31 PolarHBondContact O-N 3.29Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å; M31-E35 WeakPolarHBondContact O-CB 3.16Å; M31-E35 VanDerWaalsContact O-CG 3.31Å; M31-E35 WeakPolarHBondContact O-CG 3.28Å; M31-E35 PolarHBondContact O-N 3.1Å
32K45.7Very low41Very low160 Ų160123.2 Ų123.270%0.69661%0.613SS**Hα-helixtrans-77.9-12.6175.7-77.3-176.2177.7-179.40114.8A28 Q30A28-K32 WeakPolarHBondContact O-CG 3.45Å; Q30-K32 PolarHBondContact O-N 3.42Å
33E41.7Very low40.5Very low156 Ų156120.7 Ų120.773%0.72962%0.618SS**Hα-helixtrans-95.9-27.5175.4-143.2162.3-159.500111.3K29 Q30 M31K29-E33 PolarHBondContact O-N 2.93Å; Q30-E33 PolarHBondContact O-N 3.4Å; M31-E33 VanDerWaalsContact C-N 3.31Å; M31-E33 PolarHBondContact O-N 2.86Å
34E42.1Very low39.8Very low156 Ų156124.7 Ų124.773%0.72965%0.645SS**Hα-helixtrans-86.5-34.5173.1-71.3-174.715400113.9Q30 R36 N37Q30-E34 PolarHBondContact O-N 3.17Å; E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 2.89Å; E34-N37 PolarHBondContact O-N 3.12Å
35E40.8Very low39.7Very low117 Ų117127.9 Ų127.955%0.54766%0.658SS.*THydrogen-bonded Turntrans-82.17.5178.4-68.7-179149.100114.6M31 N37M31-E35 WeakPolarHBondContact O-CB 3.16Å; M31-E35 VanDerWaalsContact O-CG 3.31Å; M31-E35 WeakPolarHBondContact O-CG 3.28Å; M31-E35 PolarHBondContact O-N 3.1Å; E35-N37 PolarHBondContact O-N 3.1Å
36R41.7Very low39.3Very low209 Ų209128.2 Ų128.279%0.78967%0.671SS**THydrogen-bonded Turntrans-77-0.2163.8-146.8-166-63.7-170.72.7112.1E34E34-R36 VanDerWaalsContact C-N 3.28Å; E34-R36 PolarHBondContact O-N 2.89Å
37N43.9Very low39.2Very low134 Ų134132 Ų13272%0.71769%0.687SS**SBendtrans-114.6122.4159.4-70.4-27000106.6E34 E35E34-N37 PolarHBondContact O-N 3.12Å; E35-N37 PolarHBondContact O-N 3.1Å
38E37.4Very low39.5Very low169 Ų169134.7 Ų134.779%0.7971%0.705SS**SBendtrans73.895.3176.2-66178.2141.200117.5
39E37.8Very low39.8Very low175 Ų175140.8 Ų140.882%0.81873%0.731SS**  trans5685.4134.6-62.8-174.6147.200119.3G41E39-G41 PolarHBondContact O-N 3.04Å
40L36.1Very low39.5Very low187 Ų187142 Ų14298%0.97974%0.736SS**  22.268.8124.4-63.1168.6000116.4
41G34.2Very low39.6Very low59 Ų59146.8 Ų146.861%0.60876%0.755SS**  trans-102.5123.9172.400000111.7E39 A43E39-G41 PolarHBondContact O-N 3.04Å; G41-A43 PolarHBondContact O-N 3.41Å
42E37.2Very low39.7Very low200 Ų200148.6 Ų148.694%0.93577%0.772SS**  trans-56.4122.1-168-58.7177.2152.700115.8
43A40.3Very low39.5Very low84 Ų84147 Ų14769%0.69477%0.771SS**  trans-137.1105.8159.500000110.9G41 L45G41-A43 PolarHBondContact O-N 3.41Å; A43-L45 PolarHBondContact O-N 2.89Å
44V31Very low39.4Very low145 Ų145147.4 Ų147.488%0.87977%0.773SS**  trans-62.395.8175.1173.90000109.6
45L42.4Very low39.4Very low159 Ų159147.4 Ų147.483%0.83278%0.778SS**  trans-104.799.6164.5-73.7170000107.9A43 D47A43-L45 PolarHBondContact O-N 2.89Å; L45-D47 PolarHBondContact O-N 3.23Å; L45-D47 VanDerWaalsContact O-N 3.17Å
46G36.4Very low39.4Very low66 Ų66148.2 Ų148.268%0.6879%0.786SS**  trans-55.6113.1-175.800000113.3D48G46-D48 VanDerWaalsContact C-N 3.26Å; G46-D48 PolarHBondContact O-N 3.44Å
47D38.7Very low39Very low127 Ų127146.8 Ų146.868%0.67979%0.789SS**SBendtrans34.2-1.4144.8-113.3-30.3000124L45 K50L45-D47 PolarHBondContact O-N 3.23Å; L45-D47 VanDerWaalsContact O-N 3.17Å; D47-K50 IonicContact OD1-NZ 2.84Å; D47-K50 PolarHBondContact OD1-NZ 2.79Å
48D46.4Very low39.2Very low160 Ų160147.6 Ų147.686%0.85679%0.786SS**  trans-100.23.8-171.8-121.311.9000115.1G46 K50G46-D48 VanDerWaalsContact C-N 3.26Å; G46-D48 PolarHBondContact O-N 3.44Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.23Å
49L43.1Very low39.2Very low172 Ų172145.5 Ų145.590%0.90178%0.78SS**  trans-9341.6176.5-71.1169.8000112.9
50K36.9Very low39.4Very low153 Ų153143.5 Ų143.567%0.66577%0.774SS**  trans-103.4107.6172.3-82.8170.3-177.4140.60110.1D47 D48D47-K50 IonicContact OD1-NZ 2.84Å; D47-K50 PolarHBondContact OD1-NZ 2.79Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.23Å
51K39.8Very low39.4Very low194 Ų194143 Ų14384%0.84376%0.764SS**  trans114.691.1154.5-63.1167179.8179.60115.1
52T40.7Very low40.1Very low139 Ų139146.9 Ų146.985%0.85377%0.769SS**  179.288.2129.4110000106.7
53N41.8Very low40.1Very low126 Ų126140.6 Ų140.667%0.67475%0.752SS**  57.295.384.7-159.922.1000113.9
54E38.3Very low40.1Very low165 Ų165143.7 Ų143.777%0.77176%0.757SS**SBendtrans47.388.6138-58.6170.6173.400117.3
55N42.5Very low40.6Very low155 Ų155143.4 Ų143.483%0.82975%0.751SS**  trans155.470.2140.5-76-11.2000110.4E57N55-E57 VanDerWaalsContact C-N 3.3Å; N55-E57 PolarHBondContact O-N 3.02Å
56N39.9Very low40.2Very low135 Ų135141.7 Ų141.772%0.72275%0.747SS**  trans-79.976.9172.7-96.97.7000110.6F58N56-F58 HydrophobicContact CB-CD2 4.33Å; N56-F58 HydrophobicContact CB-CE2 4.38Å; N56-F58 WeakPolarHBondContact OD1-CE2 3.35Å
57E35.3Very low40.5Very low179 Ų179143.5 Ų143.584%0.83674%0.744SS**  trans-99.391155.8-164.6172.5-156.500106.7N55 D59N55-E57 VanDerWaalsContact C-N 3.3Å; N55-E57 PolarHBondContact O-N 3.02Å; E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.44Å; E57-D59 VanDerWaalsContact O-N 3.1Å
58F46Very low40.2Very low150 Ų150143.2 Ų143.266%0.65875%0.752SS**  trans-80.186.3173.1-84.4-82.1000108.8N56 L60N56-F58 HydrophobicContact CB-CD2 4.33Å; N56-F58 HydrophobicContact CB-CE2 4.38Å; N56-F58 WeakPolarHBondContact OD1-CE2 3.35Å; F58-L60 PolarHBondContact O-N 2.99Å; F58-L60 VanDerWaalsContact O-N 3.12Å
59D38Very low40Very low126 Ų126139.7 Ų139.767%0.67473%0.733SS**  trans-77.390168.6-155.717.1000108.4E57 K61E57-D59 VanDerWaalsContact C-N 3.33Å; E57-D59 PolarHBondContact O-N 3.44Å; E57-D59 VanDerWaalsContact O-N 3.1Å; D59-K61 VanDerWaalsContact C-N 3.27Å; D59-K61 PolarHBondContact O-N 3.33Å
60L42.8Very low39.7Very low132 Ų132138.7 Ų138.769%0.69173%0.729SS**  trans-71.578.6179.2-103.2145.3000110.1F58 I62F58-L60 PolarHBondContact O-N 2.99Å; F58-L60 VanDerWaalsContact O-N 3.12Å; L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 HydrophobicContact CD2-CG1 4.11Å; L60-I62 PolarHBondContact O-N 3.03Å; L60-I62 VanDerWaalsContact O-N 3.1Å
61K36.8Very low39.7Very low178 Ų178136.2 Ų136.277%0.77473%0.731SS**  trans-76.787.8159.4-81.2178-178.5167.60108.6D59 A63D59-K61 VanDerWaalsContact C-N 3.27Å; D59-K61 PolarHBondContact O-N 3.33Å; K61-A63 PolarHBondContact O-N 2.69Å
62I48.7Very low39.9Very low139 Ų139136.7 Ų136.771%0.71373%0.727SS**  trans-66.293.3157.2-56.2177000104.8L60 D64L60-I62 VanDerWaalsContact C-N 3.31Å; L60-I62 HydrophobicContact CD2-CG1 4.11Å; L60-I62 PolarHBondContact O-N 3.03Å; L60-I62 VanDerWaalsContact O-N 3.1Å; I62-D64 PolarHBondContact O-N 2.75Å
63A37.4Very low40Very low69 Ų69136.5 Ų136.557%0.5773%0.726SS**  trans-57.8129161.100000106.1K61 D65K61-A63 PolarHBondContact O-N 2.69Å; A63-D65 PolarHBondContact O-N 3.29Å
64D39.1Very low40.5Very low148 Ų148134.9 Ų134.979%0.79171%0.714SS**  trans-6262.3165.7-92-44.7000109.3I62 T66I62-D64 PolarHBondContact O-N 2.75Å; D64-T66 PolarHBondContact O-N 2.84Å
65D40.8Very low41.2Very low140 Ų140130.7 Ų130.775%0.74970%0.699SS**  trans-72.483.5161-91.2-3.3000105.3A63 V67A63-D65 PolarHBondContact O-N 3.29Å; D65-V67 PolarHBondContact O-N 3.09Å
66T35.5Very low41.7Very low123 Ų123129.3 Ų129.376%0.75569%0.691SS**  trans-51.490.4163.944.60000108D64 S68D64-T66 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-N 2.92Å
67V41.2Very low42.5Very low104 Ų104126.9 Ų126.963%0.6368%0.681SS**  trans-72.789.5160.2-1730000104.9D65 N69D65-V67 PolarHBondContact O-N 3.09Å; V67-N69 PolarHBondContact O-N 2.93Å
68S33.7Very low43.5Very low120 Ų120121.7 Ų121.784%0.83966%0.657SS**  trans-66.476.3169.8177.90000108.5T66T66-S68 PolarHBondContact O-N 2.92Å
69N41.2Very low44.2Very low87 Ų87116.1 Ų116.147%0.46563%0.633SS.*  trans-86.1130.2157.6-155.733.8000105.4H8 V67 S71H8-N69 PolarHBondContact CE1-ND2 3.4Å; H8-N69 PolarHBondContact NE2-ND2 3.31Å; H8-N69 VanDerWaalsContact NE2-ND2 3.1Å; H8-N69 PolarHBondContact NE2-OD1 2.96Å; V67-N69 PolarHBondContact O-N 2.93Å; N69-S71 PolarHBondContact O-N 3.43Å; N69-S71 VanDerWaalsContact O-N 3.09Å
70D36.6Very low45.1Very low151 Ų151111.1 Ų111.181%0.80761%0.608SS**SBendtrans-46.2125.7165.4-94.6-49.5000108.9
71S38.2Very low45.7Very low101 Ų101114.3 Ų114.371%0.70661%0.61SS**SBendtrans76.7110.4169.775.20000119.1N69N69-S71 PolarHBondContact O-N 3.43Å; N69-S71 VanDerWaalsContact O-N 3.09Å
72R42.6Very low46.7Very low203 Ų203111.2 Ų111.277%0.76660%0.602SS**  trans76.3105.3157.2-64.9-179.9165.7173.6-5.1118.3F74R72-F74 HydrophobicContact CB-CD2 4.39Å; R72-F74 HydrophobicContact CB-CE1 4.39Å; R72-F74 HydrophobicContact CB-CE2 3.85Å; R72-F74 HydrophobicContact CB-CZ 3.87Å
73T44.4Very low47.1Very low136 Ų136111.5 Ų111.583%0.83460%0.595SS**PPolyproline II helixtrans-69.8120152.3-41.20000108.2
74F51.3Low47.5Very low92 Ų92115.1 Ų115.140%0.40461%0.605SS.*PPolyproline II helixtrans-95.3121.7171.4-65.7-81.2000109.3R72 E78 I79 L82R72-F74 HydrophobicContact CB-CD2 4.39Å; R72-F74 HydrophobicContact CB-CE1 4.39Å; R72-F74 HydrophobicContact CB-CE2 3.85Å; R72-F74 HydrophobicContact CB-CZ 3.87Å; F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; F74-E78 HydrophobicContact CB-CB 4.12Å; F74-E78 HydrophobicContact CD1-CB 3.88Å; F74-I79 HydrophobicContact CB-CG1 4.12Å; F74-L82 HydrophobicContact CD1-CD1 3.81Å; F74-L82 HydrophobicContact CE1-CD1 3.84Å; F74-L82 HydrophobicContact CG-CD1 4.42Å; F74-L82 HydrophobicContact CZ-CD1 4.49Å
75T53.4Low47.9Very low77 Ų77110.8 Ų110.847%0.47258%0.584SS.*PPolyproline II helixtrans-64.6155.4168.456.70000110.2V77 E78 I79T75-V77 PolarHBondContact O-N 3.49Å; T75-V77 VanDerWaalsContact O-N 3.11Å; T75-E78 PolarHBondContact N-OE2 2.77Å; T75-E78 WeakPolarHBondContact O-CA 3.11Å; T75-E78 WeakPolarHBondContact O-CB 3.36Å; T75-E78 PolarHBondContact O-N 3.42Å; T75-E78 WeakPolarHBondContact OG1-CG 3.42Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 2.84Å; T75-I79 PolarHBondContact O-N 3.1Å; T75-I79 VanDerWaalsContact O-N 3.07Å
76L53.3Low47.9Very low125 Ų125108.4 Ų108.465%0.65457%0.574SS**Hα-helixtrans-50.6-38.8174.4-17170.4000110.9E78 I79 T80L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.95Å; L76-I79 PolarHBondContact O-N 3.21Å; L76-T80 WeakPolarHBondContact O-CB 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.44Å
77V56.1Low48.2Very low84 Ų84107 Ų10751%0.50957%0.566SS.*Hα-helixtrans-58.9-40.1173.9179.30000112.7T75 R81T75-V77 PolarHBondContact O-N 3.49Å; T75-V77 VanDerWaalsContact O-N 3.11Å; V77-R81 WeakPolarHBondContact O-CB 3.36Å; V77-R81 VanDerWaalsContact O-CG 3.25Å; V77-R81 WeakPolarHBondContact O-CG 3.47Å; V77-R81 PolarHBondContact O-N 3.42Å
78E56.9Low48.2Very low71 Ų71112.8 Ų112.833%0.33258%0.583SS.*Hα-helixtrans-71.9-36.3177.6-73.9168.3121.800112.3F74 T75 L76 R81 L82F74-E78 WeakPolarHBondContact CA-OE2 3.33Å; F74-E78 HydrophobicContact CB-CB 4.12Å; F74-E78 HydrophobicContact CD1-CB 3.88Å; T75-E78 PolarHBondContact N-OE2 2.77Å; T75-E78 WeakPolarHBondContact O-CA 3.11Å; T75-E78 WeakPolarHBondContact O-CB 3.36Å; T75-E78 PolarHBondContact O-N 3.42Å; T75-E78 WeakPolarHBondContact OG1-CG 3.42Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 2.84Å; L76-E78 VanDerWaalsContact C-N 3.34Å; L76-E78 PolarHBondContact O-N 2.95Å; E78-R81 PolarHBondContact O-N 2.85Å; E78-L82 VanDerWaalsContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CD1 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 3.01Å
79I59.7Low48.9Very low32 Ų32112.4 Ų112.416%0.16457%0.57CS.*Hα-helixtrans-64.4-46.9173.2-60.5174.7000109.8I19 F74 T75 L76 R81 L82 Y83I19-I79 HydrophobicContact CD1-CD1 4.27Å; F74-I79 HydrophobicContact CB-CG1 4.12Å; T75-I79 PolarHBondContact O-N 3.1Å; T75-I79 VanDerWaalsContact O-N 3.07Å; L76-I79 PolarHBondContact O-N 3.21Å; I79-R81 VanDerWaalsContact C-N 3.27Å; I79-R81 PolarHBondContact O-N 2.78Å; I79-L82 PolarHBondContact O-N 3.09Å; I79-L82 VanDerWaalsContact O-N 3.13Å; I79-Y83 HydrophobicContact CG2-CD2 3.87Å; I79-Y83 HydrophobicContact CG2-CE2 4.26Å; I79-Y83 WeakPolarHBondContact O-CD2 3.37Å; I79-Y83 PolarHBondContact O-N 3.46Å
80T58.4Low49.3Very low22 Ų22113.7 Ų113.714%0.13558%0.575CS.*Hα-helixtrans-54.3-44.1175.1-61.30000111.4L76 N84 V85 T87L76-T80 WeakPolarHBondContact O-CB 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.44Å; T80-N84 WeakPolarHBondContact O-CA 3.47Å; T80-N84 PolarHBondContact O-N 3.01Å; T80-V85 WeakPolarHBondContact CG2-O 3.34Å; T80-V85 PolarHBondContact O-N 3.16Å; T80-T87 HydrophobicContact CG2-CG2 3.86Å; T80-T87 WeakPolarHBondContact CG2-OG1 3.34Å
81R53.8Low50Low198 Ų198111.7 Ų111.775%0.74756%0.562SS**Hα-helixtrans-70-38.1175.9-73.4174.7-179.8-170.71113.7V77 E78 I79V77-R81 WeakPolarHBondContact O-CB 3.36Å; V77-R81 VanDerWaalsContact O-CG 3.25Å; V77-R81 WeakPolarHBondContact O-CG 3.47Å; V77-R81 PolarHBondContact O-N 3.42Å; E78-R81 PolarHBondContact O-N 2.85Å; I79-R81 VanDerWaalsContact C-N 3.27Å; I79-R81 PolarHBondContact O-N 2.78Å
82L59.1Low50.7Low114 Ų114112.3 Ų112.360%0.59755%0.554SS**Hα-helixtrans-67.2-40.6-179.4-87.5158000112.3F74 E78 I79F74-L82 HydrophobicContact CD1-CD1 3.81Å; F74-L82 HydrophobicContact CE1-CD1 3.84Å; F74-L82 HydrophobicContact CG-CD1 4.42Å; F74-L82 HydrophobicContact CZ-CD1 4.49Å; E78-L82 VanDerWaalsContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CB 3.32Å; E78-L82 WeakPolarHBondContact O-CD1 3.32Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 3.01Å; I79-L82 PolarHBondContact O-N 3.09Å; I79-L82 VanDerWaalsContact O-N 3.13Å
83Y56.2Low51.2Low145 Ų145106.6 Ų106.657%0.56954%0.541SS*.THydrogen-bonded Turntrans-97.45.2-176-72.2-85.8000113.5I79 V85I79-Y83 HydrophobicContact CG2-CD2 3.87Å; I79-Y83 HydrophobicContact CG2-CE2 4.26Å; I79-Y83 WeakPolarHBondContact O-CD2 3.37Å; I79-Y83 PolarHBondContact O-N 3.46Å; Y83-V85 PolarHBondContact O-N 2.66Å; Y83-V85 VanDerWaalsContact O-N 3.07Å
84N46.9Very low51.6Low144 Ų144104.7 Ų104.777%0.7752%0.521SS*.THydrogen-bonded Turntrans48.433.8-172.6-158.933.7000112.1T80 T86T80-N84 WeakPolarHBondContact O-CA 3.47Å; T80-N84 PolarHBondContact O-N 3.01Å; N84-T86 PolarHBondContact O-N 3.35Å
85V46.7Very low51.7Low58 Ų58105.6 Ų105.635%0.35253%0.529SS..  trans-75126.2174.8176.10000105.1T80 Y83 T87T80-V85 WeakPolarHBondContact CG2-O 3.34Å; T80-V85 PolarHBondContact O-N 3.16Å; Y83-V85 PolarHBondContact O-N 2.66Å; Y83-V85 VanDerWaalsContact O-N 3.07Å; V85-T87 PolarHBondContact O-N 3.2Å
86T41.3Very low51.5Low90 Ų90107.8 Ų107.855%0.55253%0.534SS*.  trans-88108.3171.8-52.90000106.6N84 F88N84-T86 PolarHBondContact O-N 3.35Å; T86-F88 HydrophobicContact CG2-CD1 4.29Å; T86-F88 HydrophobicContact CG2-CD2 3.96Å; T86-F88 HydrophobicContact CG2-CE1 3.81Å; T86-F88 HydrophobicContact CG2-CE2 3.44Å; T86-F88 VanDerWaalsContact CG2-CE2 3.44Å; T86-F88 HydrophobicContact CG2-CG 4.37Å; T86-F88 HydrophobicContact CG2-CZ 3.36Å; T86-F88 PolarHBondContact O-N 3.21Å
87T40.9Very low51.4Low94 Ų94106.3 Ų106.358%0.57752%0.524SS*.  trans-78.4113.5167.643.30000107.9T80 V85T80-T87 HydrophobicContact CG2-CG2 3.86Å; T80-T87 WeakPolarHBondContact CG2-OG1 3.34Å; V85-T87 PolarHBondContact O-N 3.2Å
88F40.7Very low51Low224 Ų224108.4 Ų108.498%0.98253%0.525SS*.  trans-93.50170.2-66-81.8000110.5Q30 T86Q30-F88 PolarHBondContact NE2-O 3.23Å; T86-F88 HydrophobicContact CG2-CD1 4.29Å; T86-F88 HydrophobicContact CG2-CD2 3.96Å; T86-F88 HydrophobicContact CG2-CE1 3.81Å; T86-F88 HydrophobicContact CG2-CE2 3.44Å; T86-F88 VanDerWaalsContact CG2-CE2 3.44Å; T86-F88 HydrophobicContact CG2-CG 4.37Å; T86-F88 HydrophobicContact CG2-CZ 3.36Å; T86-F88 PolarHBondContact O-N 3.21Å

Retrieved 88 of 88 residues in 33.6 ms (Link to these results)