A0A5K4F9E2_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F9E2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 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
1M53.2Low70.3Confident212 Ų212154.9 Ų154.9100%1.04482%0.824SS**  0110.70-67.9175.1177.900105.3
2N60.5Low70.9Confident171 Ų171151.1 Ų151.191%0.91482%0.815SS**  trans-99.287.3169-82.7-10.9000105.9Q4N2-Q4 PolarHBondContact O-N 3.07Å
3D67.8Low71.3Confident138 Ų138148.9 Ų148.974%0.73881%0.814SS**  trans-58.486.2163.6-60.3-74.6000107.4P5D3-P5 WeakPolarHBondContact O-CD 3.21Å
4Q63.4Low71.6Confident181 Ų181148.9 Ų148.985%0.84681%0.812SS**PPolyproline II helixtrans-63.3119.5171.5-168.7179.46500106.2N2N2-Q4 PolarHBondContact O-N 3.07Å
5P75.5Confident71Confident103 Ų103146.2 Ų146.267%0.66981%0.805SS**PPolyproline II helixtrans-57.5144.1-179.322.5-32.4000109.6D3 K7D3-P5 WeakPolarHBondContact O-CD 3.21Å; P5-K7 PolarHBondContact O-N 3.01Å; P5-K7 VanDerWaalsContact O-N 3.15Å
6P75.3Confident70.8Confident127 Ų127144.1 Ų144.183%0.82580%0.804SS**PPolyproline II helixtrans-54.2126.7178.422.2-32000109Q8P6-Q8 PolarHBondContact O-N 2.77Å
7K74.4Confident70.1Confident205 Ų205146.3 Ų146.389%0.89181%0.812SS**  trans-50.2110.5-177.7-157.4176.3-173.2-179.60108.7P5 L9P5-K7 PolarHBondContact O-N 3.01Å; P5-K7 VanDerWaalsContact O-N 3.15Å; K7-L9 PolarHBondContact O-N 3.04Å
8Q73.6Confident69.1Low188 Ų188143 Ų14388%0.87980%0.801SS**PPolyproline II helixtrans-58.3120.9177.6-133.5172.48.200107.7P6P6-Q8 PolarHBondContact O-N 2.77Å
9L73.3Confident67.8Low157 Ų157142.5 Ų142.582%0.82280%0.802SS**PPolyproline II helixtrans-60.9142.2175.8-75.5168000109.1K7K7-L9 PolarHBondContact O-N 3.04Å
10P78Confident66.5Low108 Ų108144.2 Ų144.270%0.70180%0.803SS**PPolyproline II helixtrans-59.6140.7178.225.2-32.9000110
11P78.9Confident65.7Low114 Ų114142.8 Ų142.874%0.7480%0.801SS**PPolyproline II helixtrans-59.9145.8174.825.4-32.8000110
12P77.4Confident65.6Low109 Ų109138.2 Ų138.271%0.70878%0.784SS**PPolyproline II helixtrans-58146.8178.224.2-32.6000110.3N14P12-N14 PolarHBondContact O-N 3.14Å; P12-N14 VanDerWaalsContact O-N 3.13Å
13P75.1Confident65.3Low123 Ų123134.8 Ų134.880%0.79977%0.774SS**PPolyproline II helixtrans-58.6122.4177.123.7-31.4000109
14N76Confident64.6Low148 Ų148136.2 Ų136.279%0.79178%0.776SS**PPolyproline II helixtrans-57129.2168.4-81.9-15.7000107.6P12 S16P12-N14 PolarHBondContact O-N 3.14Å; P12-N14 VanDerWaalsContact O-N 3.13Å; N14-S16 PolarHBondContact O-N 2.91Å
15P62.9Low64.3Low109 Ų109135.4 Ų135.471%0.70877%0.774SS**  trans-57115171.721.9-29.4000107.6L17P15-L17 PolarHBondContact O-N 3.29Å
16S67.9Low63.5Low112 Ų112135.5 Ų135.578%0.78377%0.766SS**  trans-62.7109.6-179.8-172.50000108.5N14 S18N14-S16 PolarHBondContact O-N 2.91Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.47Å
17L59.2Low62.8Low182 Ų182134.3 Ų134.395%0.95375%0.752SS**  trans-73.484.8172.5-88.9129.7000109.2P15P15-L17 PolarHBondContact O-N 3.29Å
18S50.8Low62.3Low87 Ų87129.1 Ų129.161%0.60874%0.742SS**  trans-156.3104.7169.6155.50000105.7S16S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.47Å
19T45.7Very low62.1Low134 Ų134127.1 Ų127.182%0.82273%0.732SS**  -161.715774.533.90000113.4
20Q41.1Very low62.2Low176 Ų176123.5 Ų123.582%0.82272%0.717SS**  trans-25.7157.7162.1-93.9179.1-11.700119.2
21P50.2Low61.9Low115 Ų115123.3 Ų123.375%0.74771%0.709SS**  trans-84133.8-162.334.9-32.2000112.1
22T51.3Low61.9Low115 Ų115120.7 Ų120.771%0.70670%0.697SS**  trans-140.4101.1168.3-34.50000111.9
23S53.9Low62.1Low99 Ų99123.3 Ų123.369%0.69269%0.694SS**  trans78.2138.5157.2-159.10000119.7M25 E26S23-M25 PolarHBondContact O-N 2.94Å; S23-E26 PolarHBondContact O-N 3.07Å
24H53.6Low62.4Low168 Ų168120.2 Ų120.278%0.77867%0.673SS**THydrogen-bonded Turntrans-5921.8-175.8-96.9-60000117.4D27H24-D27 IonicContact CE1-OD2 3.84Å; H24-D27 IonicContact ND1-OD2 3.07Å; H24-D27 PolarHBondContact ND1-OD2 3.06Å
25M55.6Low62.4Low164 Ų164116.8 Ų116.881%0.80866%0.655SS**THydrogen-bonded Turntrans-94.9-6.5166.4-73.8-154.3-159.600113.5S23S23-M25 PolarHBondContact O-N 2.94Å
26E59Low63.4Low106 Ų106116.7 Ų116.750%0.49565%0.645SS.*SBendtrans-78.6-23.4-178.3-68.5-168.1125.600114.1S23 S28 Q29 T30S23-E26 PolarHBondContact O-N 3.07Å; E26-S28 VanDerWaalsContact C-N 3.26Å; E26-S28 PolarHBondContact O-N 3.48Å; E26-S28 VanDerWaalsContact O-N 3.14Å; E26-Q29 PolarHBondContact O-N 3.28Å; E26-T30 PolarHBondContact O-N 3.12Å; E26-T30 PolarHBondContact O-OG1 2.92Å
27D61.4Low64Low101 Ų101114.6 Ų114.654%0.5463%0.627SS.*Hα-helixtrans-57.5-38.2-172-63-30.9000112.6H24 L31H24-D27 IonicContact CE1-OD2 3.84Å; H24-D27 IonicContact ND1-OD2 3.07Å; H24-D27 PolarHBondContact ND1-OD2 3.06Å; D27-L31 WeakPolarHBondContact O-CB 3.37Å; D27-L31 PolarHBondContact O-N 3.48Å
28S63.6Low64.9Low96 Ų96110.8 Ų110.867%0.67160%0.604SS**Hα-helixtrans-73.4-34.3179.5-65.20000113.2E26 A32E26-S28 VanDerWaalsContact C-N 3.26Å; E26-S28 PolarHBondContact O-N 3.48Å; E26-S28 VanDerWaalsContact O-N 3.14Å; S28-A32 WeakPolarHBondContact O-CB 3.48Å; S28-A32 PolarHBondContact O-N 3.43Å; S28-A32 VanDerWaalsContact O-N 3.12Å
29Q69.1Low66.4Low146 Ų146110 Ų11068%0.68260%0.599SS**Hα-helixtrans-77.3-42.7179.2-67.8-171.369.100111.3E26 L31 A32 Y33E26-Q29 PolarHBondContact O-N 3.28Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 2.87Å; Q29-A32 PolarHBondContact O-N 2.98Å; Q29-Y33 WeakPolarHBondContact O-CB 3.42Å; Q29-Y33 PolarHBondContact O-N 3.4Å
30T74.6Confident68.1Low81 Ų81108.6 Ų108.650%0.49758%0.583SS.*Hα-helixtrans-61.2-44.4175.2-61.10000110.5E26 A32 Y33 T34E26-T30 PolarHBondContact O-N 3.12Å; E26-T30 PolarHBondContact O-OG1 2.92Å; T30-A32 PolarHBondContact O-N 2.91Å; T30-Y33 PolarHBondContact O-N 3.49Å; T30-T34 WeakPolarHBondContact O-CB 3.37Å; T30-T34 PolarHBondContact O-N 3.3Å; T30-T34 PolarHBondContact O-OG1 3.03Å
31L72.2Confident70.2Confident104 Ų104107.3 Ų107.355%0.54557%0.572SS.*Hα-helixtrans-61.7-44176-176.164.5000112.2D27 Q29 Y33 T34 N35D27-L31 WeakPolarHBondContact O-CB 3.37Å; D27-L31 PolarHBondContact O-N 3.48Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 2.87Å; L31-Y33 VanDerWaalsContact C-N 3.35Å; L31-Y33 PolarHBondContact O-N 2.92Å; L31-T34 PolarHBondContact O-N 3.13Å; L31-N35 WeakPolarHBondContact O-CB 3.5Å; L31-N35 PolarHBondContact O-N 3.3Å; L31-N35 PolarHBondContact O-ND2 3.42Å
32A79.4Confident71.5Confident59 Ų59107.9 Ų107.949%0.48856%0.564SS.*Hα-helixtrans-61.7-42.1177.100000112.1S28 Q29 T30 H36S28-A32 WeakPolarHBondContact O-CB 3.48Å; S28-A32 PolarHBondContact O-N 3.43Å; S28-A32 VanDerWaalsContact O-N 3.12Å; Q29-A32 PolarHBondContact O-N 2.98Å; T30-A32 PolarHBondContact O-N 2.91Å; A32-H36 WeakPolarHBondContact O-CB 3.3Å; A32-H36 PolarHBondContact O-N 3.42Å
33Y80.7Confident73.1Confident164 Ų164106.2 Ų106.264%0.64355%0.554SS**Hα-helixtrans-65.6-46.8176.2-172.2-94000111.7Q29 T30 L31 N35 H36 T37Q29-Y33 WeakPolarHBondContact O-CB 3.42Å; Q29-Y33 PolarHBondContact O-N 3.4Å; T30-Y33 PolarHBondContact O-N 3.49Å; L31-Y33 VanDerWaalsContact C-N 3.35Å; L31-Y33 PolarHBondContact O-N 2.92Å; Y33-N35 PolarHBondContact O-N 2.89Å; Y33-H36 WeakPolarHBondContact O-CB 3.49Å; Y33-H36 PolarHBondContact O-N 3.19Å; Y33-T37 PolarHBondContact O-N 3.4Å; Y33-T37 PolarHBondContact O-OG1 3.35Å; Y33-T37 VanDerWaalsContact O-OG1 3.08Å
34T81.7Confident74.3Confident58 Ų58106.4 Ų106.436%0.35654%0.544SS..Hα-helixtrans-58.3-47.1176.5-610000111.5T30 L31 H36 T37 Q38T30-T34 WeakPolarHBondContact O-CB 3.37Å; T30-T34 PolarHBondContact O-N 3.3Å; T30-T34 PolarHBondContact O-OG1 3.03Å; L31-T34 PolarHBondContact O-N 3.13Å; T34-H36 VanDerWaalsContact C-N 3.31Å; T34-H36 PolarHBondContact O-N 3.08Å; T34-T37 PolarHBondContact O-N 2.77Å; T34-Q38 HydrophobicContact CG2-CG 4.41Å; T34-Q38 WeakPolarHBondContact O-CB 3.38Å; T34-Q38 VanDerWaalsContact O-CG 3.3Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 2.68Å
35N77.3Confident75.8Confident76 Ų76101.1 Ų101.141%0.40652%0.52SS..Hα-helixtrans-62.3-39.6177.9-71.8-20000111.7L31 Y33 S39L31-N35 WeakPolarHBondContact O-CB 3.5Å; L31-N35 PolarHBondContact O-N 3.3Å; L31-N35 PolarHBondContact O-ND2 3.42Å; Y33-N35 PolarHBondContact O-N 2.89Å; N35-S39 WeakPolarHBondContact O-CB 3.37Å; N35-S39 PolarHBondContact O-N 3.37Å; N35-S39 PolarHBondContact O-OG 3.49Å
36H82.5Confident76.8Confident108 Ų10899.5 Ų99.550%0.551%0.51SS..Hα-helixtrans-63.6-50.3176.2-173.670.7000111.5A32 Y33 T34 Q38 S39 Q40A32-H36 WeakPolarHBondContact O-CB 3.3Å; A32-H36 PolarHBondContact O-N 3.42Å; Y33-H36 WeakPolarHBondContact O-CB 3.49Å; Y33-H36 PolarHBondContact O-N 3.19Å; T34-H36 VanDerWaalsContact C-N 3.31Å; T34-H36 PolarHBondContact O-N 3.08Å; H36-Q38 VanDerWaalsContact C-N 3.34Å; H36-Q38 PolarHBondContact O-N 3.05Å; H36-S39 PolarHBondContact O-N 3.04Å; H36-Q40 PolarHBondContact CE1-NE2 3.26Å; H36-Q40 WeakPolarHBondContact O-CG 3.36Å; H36-Q40 PolarHBondContact O-N 3.03Å
37T81.8Confident77.7Confident67 Ų6798.5 Ų98.541%0.41151%0.509SS..Hα-helixtrans-61.9-41.5179-54.50000111.9Y33 T34 Q40 Y41Y33-T37 PolarHBondContact O-N 3.4Å; Y33-T37 PolarHBondContact O-OG1 3.35Å; Y33-T37 VanDerWaalsContact O-OG1 3.08Å; T34-T37 PolarHBondContact O-N 2.77Å; T37-Q40 PolarHBondContact O-N 3.22Å; T37-Y41 PolarHBondContact O-N 2.94Å
38Q78.5Confident78.4Confident102 Ų10297.5 Ų97.548%0.47750%0.501SS..Hα-helixtrans-61.4-48.9174.7-74.3179.9-0.800110.7T34 H36 Q40 Y41 H42T34-Q38 HydrophobicContact CG2-CG 4.41Å; T34-Q38 WeakPolarHBondContact O-CB 3.38Å; T34-Q38 VanDerWaalsContact O-CG 3.3Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 2.68Å; H36-Q38 VanDerWaalsContact C-N 3.34Å; H36-Q38 PolarHBondContact O-N 3.05Å; Q38-Q40 VanDerWaalsContact C-N 3.27Å; Q38-Q40 PolarHBondContact O-N 3.48Å; Q38-Y41 PolarHBondContact O-N 3.43Å; Q38-Y41 VanDerWaalsContact O-N 3.12Å; Q38-H42 PolarHBondContact O-N 3.29Å; Q38-H42 PolarHBondContact O-ND1 3.18Å
39S82.5Confident79.1Confident70 Ų7097.4 Ų97.449%0.4949%0.492SS..Hα-helixtrans-57.5-41.1179.4-59.50000112N35 H36 H42 V43N35-S39 WeakPolarHBondContact O-CB 3.37Å; N35-S39 PolarHBondContact O-N 3.37Å; N35-S39 PolarHBondContact O-OG 3.49Å; H36-S39 PolarHBondContact O-N 3.04Å; S39-H42 PolarHBondContact O-N 2.83Å; S39-V43 WeakPolarHBondContact O-CG2 3.36Å; S39-V43 PolarHBondContact O-N 3.44Å
40Q79.6Confident79.3Confident105 Ų10595.5 Ų95.549%0.49148%0.483SS..Hα-helixtrans-65.6-41.2176.1-67.1-67.6-3.600112.8H36 T37 Q38 H42 V43 H44H36-Q40 PolarHBondContact CE1-NE2 3.26Å; H36-Q40 WeakPolarHBondContact O-CG 3.36Å; H36-Q40 PolarHBondContact O-N 3.03Å; T37-Q40 PolarHBondContact O-N 3.22Å; Q38-Q40 VanDerWaalsContact C-N 3.27Å; Q38-Q40 PolarHBondContact O-N 3.48Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 3.5Å; Q40-V43 PolarHBondContact O-N 2.96Å; Q40-H44 PolarHBondContact O-N 3.15Å
41Y85Confident79.3Confident150 Ų15098 Ų9859%0.58849%0.489SS*.Hα-helixtrans-60.9-41175.5-178.6-101.2000111.7T37 Q38 V43 H44 I45T37-Y41 PolarHBondContact O-N 2.94Å; Q38-Y41 PolarHBondContact O-N 3.43Å; Q38-Y41 VanDerWaalsContact O-N 3.12Å; Y41-V43 PolarHBondContact O-N 2.99Å; Y41-H44 PolarHBondContact O-N 3.2Å; Y41-I45 HydrophobicContact CD1-CG1 4.15Å; Y41-I45 HydrophobicContact CD2-CG1 4.49Å; Y41-I45 HydrophobicContact CE1-CD1 4.31Å; Y41-I45 HydrophobicContact CE1-CG1 3.72Å; Y41-I45 HydrophobicContact CE2-CD1 4.09Å; Y41-I45 HydrophobicContact CE2-CG1 4.1Å; Y41-I45 WeakPolarHBondContact O-CG1 3.36Å; Y41-I45 PolarHBondContact O-N 3.12Å
42H78.5Confident79.1Confident126 Ų12699 Ų9958%0.58349%0.491SS*.Hα-helixtrans-62.2-43.8177-69.790.6000112.4Q38 S39 Q40 H44 I45 H46Q38-H42 PolarHBondContact O-N 3.29Å; Q38-H42 PolarHBondContact O-ND1 3.18Å; S39-H42 PolarHBondContact O-N 2.83Å; Q40-H42 VanDerWaalsContact C-N 3.32Å; Q40-H42 PolarHBondContact O-N 3.5Å; H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.35Å; H42-I45 PolarHBondContact O-N 3.01Å; H42-H46 WeakPolarHBondContact O-CB 3.13Å; H42-H46 PolarHBondContact O-N 3.44Å
43V84.8Confident78.6Confident80 Ų80101 Ų10149%0.48550%0.496SS..Hα-helixtrans-62.5-41.4175.91750000111S39 Q40 Y41 H46 N47S39-V43 WeakPolarHBondContact O-CG2 3.36Å; S39-V43 PolarHBondContact O-N 3.44Å; Q40-V43 PolarHBondContact O-N 2.96Å; Y41-V43 PolarHBondContact O-N 2.99Å; V43-H46 PolarHBondContact O-N 2.85Å; V43-N47 PolarHBondContact O-N 3.41Å; V43-N47 VanDerWaalsContact O-N 3.14Å
44H78Confident77.7Confident104 Ų10499.3 Ų99.348%0.48149%0.494SS..Hα-helixtrans-63.4-43.4178.8-175.263.4000112.7Q40 Y41 H42 N47 Q48Q40-H44 PolarHBondContact O-N 3.15Å; Y41-H44 PolarHBondContact O-N 3.2Å; H42-H44 VanDerWaalsContact C-N 3.33Å; H42-H44 PolarHBondContact O-N 3.35Å; H44-N47 PolarHBondContact O-N 3.15Å; H44-Q48 PolarHBondContact CD2-NE2 2.68Å; H44-Q48 VanDerWaalsContact CD2-NE2 3.35Å; H44-Q48 PolarHBondContact CE1-NE2 3.02Å; H44-Q48 PolarHBondContact NE2-NE2 3.47Å; H44-Q48 PolarHBondContact O-N 2.7Å
45I85.5Confident76.8Confident56 Ų56101.1 Ų101.129%0.28751%0.51SS..Hα-helixtrans-66.8-41.9177.8-66-64.1000111.4Y41 H42 N47 Q48 I49Y41-I45 HydrophobicContact CD1-CG1 4.15Å; Y41-I45 HydrophobicContact CD2-CG1 4.49Å; Y41-I45 HydrophobicContact CE1-CD1 4.31Å; Y41-I45 HydrophobicContact CE1-CG1 3.72Å; Y41-I45 HydrophobicContact CE2-CD1 4.09Å; Y41-I45 HydrophobicContact CE2-CG1 4.1Å; Y41-I45 WeakPolarHBondContact O-CG1 3.36Å; Y41-I45 PolarHBondContact O-N 3.12Å; H42-I45 PolarHBondContact O-N 3.01Å; I45-N47 VanDerWaalsContact C-N 3.32Å; I45-N47 PolarHBondContact O-N 3.47Å; I45-Q48 PolarHBondContact O-N 3.21Å; I45-I49 HydrophobicContact CG2-CD1 3.79Å; I45-I49 HydrophobicContact CG2-CG1 4.42Å; I45-I49 WeakPolarHBondContact O-CG1 3.34Å; I45-I49 PolarHBondContact O-N 2.95Å
46H78Confident76.1Confident130 Ų130107.9 Ų107.960%0.60253%0.529SS*.Hα-helixtrans-59.4-43.4178.2-176-89.5000111.9H42 V43 I49 H50H42-H46 WeakPolarHBondContact O-CB 3.13Å; H42-H46 PolarHBondContact O-N 3.44Å; V43-H46 PolarHBondContact O-N 2.85Å; H46-I49 PolarHBondContact O-N 3.18Å; H46-H50 WeakPolarHBondContact O-CB 3.21Å; H46-H50 PolarHBondContact O-N 3.44Å; H46-H50 VanDerWaalsContact O-N 3.07Å
47N77.1Confident74.9Confident86 Ų86110.7 Ų110.746%0.4654%0.543SS..Hα-helixtrans-66.4-40.5178.9-69.1-6.9000112.3V43 H44 I45 H50 E51V43-N47 PolarHBondContact O-N 3.41Å; V43-N47 VanDerWaalsContact O-N 3.14Å; H44-N47 PolarHBondContact O-N 3.15Å; I45-N47 VanDerWaalsContact C-N 3.32Å; I45-N47 PolarHBondContact O-N 3.47Å; N47-H50 PolarHBondContact O-N 3.07Å; N47-E51 PolarHBondContact O-N 3.14Å; N47-E51 VanDerWaalsContact O-N 3.11Å
48Q76.3Confident74.1Confident79 Ų79113.2 Ų113.237%0.36956%0.558SS.*Hα-helixtrans-62.7-42.9175.7-74.6-166.842.500112.6H44 I45 H50 E51 Q52H44-Q48 PolarHBondContact CD2-NE2 2.68Å; H44-Q48 VanDerWaalsContact CD2-NE2 3.35Å; H44-Q48 PolarHBondContact CE1-NE2 3.02Å; H44-Q48 PolarHBondContact NE2-NE2 3.47Å; H44-Q48 PolarHBondContact O-N 2.7Å; I45-Q48 PolarHBondContact O-N 3.21Å; Q48-H50 VanDerWaalsContact C-N 3.35Å; Q48-E51 PolarHBondContact O-N 3.43Å; Q48-Q52 WeakPolarHBondContact O-CB 3.4Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 3.17Å
49I77.8Confident73.1Confident95 Ų95114.8 Ų114.849%0.48757%0.569SS.*Hα-helixtrans-65.9-41179.9-67.7171.2000110.6I45 H46 Q52 T53I45-I49 HydrophobicContact CG2-CD1 3.79Å; I45-I49 HydrophobicContact CG2-CG1 4.42Å; I45-I49 WeakPolarHBondContact O-CG1 3.34Å; I45-I49 PolarHBondContact O-N 2.95Å; H46-I49 PolarHBondContact O-N 3.18Å; I49-Q52 PolarHBondContact O-N 3.01Å; I49-T53 WeakPolarHBondContact O-CB 3.49Å; I49-T53 PolarHBondContact O-N 2.92Å; I49-T53 PolarHBondContact O-OG1 3.19Å
50H74.6Confident71.9Confident106 Ų106118.5 Ų118.549%0.49158%0.582SS.*Hα-helixtrans-59.4-49.4177.2-175.767.6000111.4H46 N47 Q48 Q52 T53 H54H46-H50 WeakPolarHBondContact O-CB 3.21Å; H46-H50 PolarHBondContact O-N 3.44Å; H46-H50 VanDerWaalsContact O-N 3.07Å; N47-H50 PolarHBondContact O-N 3.07Å; Q48-H50 VanDerWaalsContact C-N 3.35Å; H50-Q52 PolarHBondContact O-N 2.87Å; H50-T53 PolarHBondContact O-N 3.47Å; H50-H54 AromaticContact CE1-CD2 3.2Å; H50-H54 PolarHBondContact CE1-CD2 3.4Å; H50-H54 AromaticContact CE1-NE2 3.09Å; H50-H54 PolarHBondContact CE1-NE2 3.49Å; H50-H54 AromaticContact CG-CD2 3.87Å; H50-H54 AromaticContact ND1-CD2 3.3Å; H50-H54 PolarHBondContact ND1-CD2 3.05Å; H50-H54 VanDerWaalsContact ND1-CD2 3.3Å; H50-H54 AromaticContact ND1-NE2 3.16Å; H50-H54 PolarHBondContact ND1-NE2 3.33Å; H50-H54 VanDerWaalsContact ND1-NE2 3.16Å; H50-H54 AromaticContact NE2-CD2 3.71Å; H50-H54 PolarHBondContact O-CD2 3.41Å; H50-H54 PolarHBondContact O-N 3.43Å
51E73.6Confident71.3Confident134 Ų134118 Ų11863%0.62659%0.59SS**Hα-helixtrans-63.2-40.2178.5-72.9-177.1166.300112.8N47 Q48 S55N47-E51 PolarHBondContact O-N 3.14Å; N47-E51 VanDerWaalsContact O-N 3.11Å; Q48-E51 PolarHBondContact O-N 3.43Å; E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 3.3Å; E51-S55 PolarHBondContact O-OG 3.3Å
52Q67.1Low70.4Confident125 Ų125115.5 Ų115.558%0.58459%0.593SS**Hα-helixtrans-68.5-39179.5-74.2-176.63.100112.8Q48 I49 H50 H54Q48-Q52 WeakPolarHBondContact O-CB 3.4Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 3.17Å; I49-Q52 PolarHBondContact O-N 3.01Å; H50-Q52 PolarHBondContact O-N 2.87Å; Q52-H54 VanDerWaalsContact C-N 3.35Å
53T69.7Low69.9Low99 Ų99112.7 Ų112.761%0.60759%0.585SS**Hα-helixtrans-69.5-34.4-177.5-54.10000111.4I49 H50I49-T53 WeakPolarHBondContact O-CB 3.49Å; I49-T53 PolarHBondContact O-N 2.92Å; I49-T53 PolarHBondContact O-OG1 3.19Å; H50-T53 PolarHBondContact O-N 3.47Å
54H62.6Low69.4Low129 Ų129114.6 Ų114.660%0.59760%0.597SS**Hα-helixtrans-87.6-12.1-178.2-64.8-54.4000114.9H50 Q52H50-H54 AromaticContact CE1-CD2 3.2Å; H50-H54 PolarHBondContact CE1-CD2 3.4Å; H50-H54 AromaticContact CE1-NE2 3.09Å; H50-H54 PolarHBondContact CE1-NE2 3.49Å; H50-H54 AromaticContact CG-CD2 3.87Å; H50-H54 AromaticContact ND1-CD2 3.3Å; H50-H54 PolarHBondContact ND1-CD2 3.05Å; H50-H54 VanDerWaalsContact ND1-CD2 3.3Å; H50-H54 AromaticContact ND1-NE2 3.16Å; H50-H54 PolarHBondContact ND1-NE2 3.33Å; H50-H54 VanDerWaalsContact ND1-NE2 3.16Å; H50-H54 AromaticContact NE2-CD2 3.71Å; H50-H54 PolarHBondContact O-CD2 3.41Å; H50-H54 PolarHBondContact O-N 3.43Å; Q52-H54 VanDerWaalsContact C-N 3.35Å
55S61.7Low69.6Low97 Ų97112.7 Ų112.768%0.67859%0.593SS**SBendtrans-91.9-2.5-175.1-580000115.3E51E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 3.3Å; E51-S55 PolarHBondContact O-OG 3.3Å
56R62.1Low69.5Low218 Ų218114.6 Ų114.682%0.82361%0.607SS**  trans-114.751.3-170.9-67.3-171.7165.9-169.5-2.1114.4V58R56-V58 PolarHBondContact O-N 2.86Å
57Q57.8Low70Confident167 Ų167117.4 Ų117.478%0.7861%0.613SS**  trans-83.3100.1155.9-86.6-176.5-4.900108.8N59Q57-N59 PolarHBondContact O-N 3.45Å; Q57-N59 VanDerWaalsContact O-N 3.16Å
58V64.8Low70.2Confident120 Ų120116.3 Ų116.373%0.72761%0.607SS**  trans-78.894.1167.5-174.50000107.2R56 I60R56-V58 PolarHBondContact O-N 2.86Å; V58-I60 VanDerWaalsContact C-N 3.34Å; V58-I60 HydrophobicContact CG1-CD1 4.31Å; V58-I60 HydrophobicContact CG1-CG1 3.68Å; V58-I60 PolarHBondContact O-N 2.84Å
59N58.8Low70.6Confident135 Ų135117.8 Ų117.872%0.72262%0.615SS**  trans-7190.2170.3-76.3-38.7000109Q57 S61Q57-N59 PolarHBondContact O-N 3.45Å; Q57-N59 VanDerWaalsContact O-N 3.16Å; N59-S61 PolarHBondContact O-N 2.94Å
60I56.2Low71.1Confident148 Ų148120.6 Ų120.676%0.75962%0.621SS**  trans-81.496170-51178.3000107.3V58V58-I60 VanDerWaalsContact C-N 3.34Å; V58-I60 HydrophobicContact CG1-CD1 4.31Å; V58-I60 HydrophobicContact CG1-CG1 3.68Å; V58-I60 PolarHBondContact O-N 2.84Å
61S66.5Low71.6Confident93 Ų93119.9 Ų119.965%0.6562%0.62SS**PPolyproline II helixtrans-65.6140.8168.5-620000109.8N59N59-S61 PolarHBondContact O-N 2.94Å
62P66.3Low72.2Confident99 Ų99117.5 Ų117.564%0.64362%0.615SS**PPolyproline II helixtrans-60.7147.2172.525.6-32.7000110.3T64P62-T64 WeakPolarHBondContact O-CG2 3.41Å; P62-T64 PolarHBondContact O-N 3.44Å; P62-T64 VanDerWaalsContact O-N 3.12Å
63P68.6Low73.1Confident66 Ų66116.8 Ų116.843%0.42961%0.61SS.*PPolyproline II helixtrans-60.4116.4-178.523.1-32000110.5D68P63-D68 HydrophobicContact CB-CB 3.5Å
64T73.6Confident74Confident121 Ų121116 Ų11674%0.74260%0.602SS**  trans-97.2-8.8-174.154.60000113.8P62P62-T64 WeakPolarHBondContact O-CG2 3.41Å; P62-T64 PolarHBondContact O-N 3.44Å; P62-T64 VanDerWaalsContact O-N 3.12Å
65T82.6Confident75.2Confident63 Ų63114.8 Ų114.839%0.38760%0.6SS.*SBendtrans-106.8144.2177.978.40000112R67 D68 M69T65-R67 PolarHBondContact O-N 3.31Å; T65-R67 VanDerWaalsContact O-N 3.11Å; T65-D68 WeakPolarHBondContact O-CB 3.32Å; T65-D68 PolarHBondContact O-N 3.42Å; T65-D68 PolarHBondContact OG1-N 3.16Å; T65-D68 VanDerWaalsContact OG1-N 3.15Å; T65-D68 PolarHBondContact OG1-OD1 3.3Å; T65-D68 PolarHBondContact OG1-OD2 3.26Å; T65-M69 PolarHBondContact O-N 3.4Å; T65-M69 VanDerWaalsContact O-N 3.14Å
66T83.1Confident76.5Confident96 Ų96115.6 Ų115.659%0.58959%0.591SS**Hα-helixtrans-52.3-32.1171-520000111.7M69 Y70T66-M69 PolarHBondContact O-N 2.96Å; T66-Y70 HydrophobicContact CG2-CD2 3.86Å; T66-Y70 HydrophobicContact CG2-CE2 3.42Å; T66-Y70 VanDerWaalsContact CG2-CE2 3.42Å; T66-Y70 WeakPolarHBondContact O-CD2 3.38Å; T66-Y70 PolarHBondContact O-N 3.04Å
67R89.7Confident77.9Confident190 Ų190108.3 Ų108.372%0.71757%0.567SS**Hα-helixtrans-65.5-42.8176.1-172.6175.4-169.5168.81.9112.3T65 M69 Y70 N71T65-R67 PolarHBondContact O-N 3.31Å; T65-R67 VanDerWaalsContact O-N 3.11Å; R67-M69 VanDerWaalsContact C-N 3.3Å; R67-M69 PolarHBondContact O-N 2.76Å; R67-Y70 PolarHBondContact O-N 3.11Å; R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.3Å; R67-N71 PolarHBondContact O-N 3.46Å
68D81Confident79.3Confident62 Ų62106.7 Ų106.733%0.33256%0.561SS.*Hα-helixtrans-67.4-34.3177.7-58.6-36.6000111.4P63 T65 T72P63-D68 HydrophobicContact CB-CB 3.5Å; T65-D68 WeakPolarHBondContact O-CB 3.32Å; T65-D68 PolarHBondContact O-N 3.42Å; T65-D68 PolarHBondContact OG1-N 3.16Å; T65-D68 VanDerWaalsContact OG1-N 3.15Å; T65-D68 PolarHBondContact OG1-OD1 3.3Å; T65-D68 PolarHBondContact OG1-OD2 3.26Å; D68-T72 WeakPolarHBondContact O-CB 3.43Å; D68-T72 PolarHBondContact O-N 3.06Å; D68-T72 PolarHBondContact O-OG1 3.32Å
69M84.2Confident80.3Confident111 Ų111105.9 Ų105.955%0.54756%0.557SS.*Hα-helixtrans-64.8-47.2173.5-65.4-176.7178.100111.9T65 T66 R67 N71 T72 F73T65-M69 PolarHBondContact O-N 3.4Å; T65-M69 VanDerWaalsContact O-N 3.14Å; T66-M69 PolarHBondContact O-N 2.96Å; R67-M69 VanDerWaalsContact C-N 3.3Å; R67-M69 PolarHBondContact O-N 2.76Å; M69-N71 PolarHBondContact O-N 3.44Å; M69-T72 PolarHBondContact O-N 3.39Å; M69-F73 WeakPolarHBondContact O-CB 3.47Å; M69-F73 PolarHBondContact O-N 2.72Å
70Y89.6Confident81.6Confident154 Ų154101.6 Ų101.660%0.60454%0.537SS*.Hα-helixtrans-63.5-41176.1-76-59.4000112.4T66 R67 F73 N74T66-Y70 HydrophobicContact CG2-CD2 3.86Å; T66-Y70 HydrophobicContact CG2-CE2 3.42Å; T66-Y70 VanDerWaalsContact CG2-CE2 3.42Å; T66-Y70 WeakPolarHBondContact O-CD2 3.38Å; T66-Y70 PolarHBondContact O-N 3.04Å; R67-Y70 PolarHBondContact O-N 3.11Å; Y70-F73 PolarHBondContact O-N 2.85Å; Y70-N74 WeakPolarHBondContact O-CB 3.35Å; Y70-N74 PolarHBondContact O-N 3.36Å; Y70-N74 PolarHBondContact O-ND2 3.49Å
71N83.8Confident82.4Confident91 Ų9197.7 Ų97.749%0.48753%0.533SS..Hα-helixtrans-61.9-44.1175.6-75.3-13000111.5R67 M69 N74 L75R67-N71 WeakPolarHBondContact O-CB 3.37Å; R67-N71 VanDerWaalsContact O-CG 3.3Å; R67-N71 PolarHBondContact O-N 3.46Å; M69-N71 PolarHBondContact O-N 3.44Å; N71-N74 PolarHBondContact O-N 3.31Å; N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 PolarHBondContact O-N 2.74Å
72T85.9Confident82.5Confident83 Ų8399.6 Ų99.651%0.50953%0.53SS..Hα-helixtrans-63.4-44.1176.7-58.10000111.3D68 M69 L75 F76D68-T72 WeakPolarHBondContact O-CB 3.43Å; D68-T72 PolarHBondContact O-N 3.06Å; D68-T72 PolarHBondContact O-OG1 3.32Å; M69-T72 PolarHBondContact O-N 3.39Å; T72-L75 PolarHBondContact O-N 3.41Å; T72-F76 WeakPolarHBondContact O-CB 3.38Å; T72-F76 PolarHBondContact O-N 3.05Å
73F87.6Confident82.3Confident111 Ų111100.8 Ų100.849%0.48754%0.535SS..Hα-helixtrans-62.2-47.1176.5-179.6-95.6000111.8M69 Y70 L75 F76 M77M69-F73 WeakPolarHBondContact O-CB 3.47Å; M69-F73 PolarHBondContact O-N 2.72Å; Y70-F73 PolarHBondContact O-N 2.85Å; F73-L75 VanDerWaalsContact C-N 3.35Å; F73-L75 PolarHBondContact O-N 2.91Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.49Å; F73-M77 HydrophobicContact CD1-CG 4.03Å; F73-M77 HydrophobicContact CE1-CG 3.57Å; F73-M77 HydrophobicContact CE1-SD 4.38Å; F73-M77 HydrophobicContact CE2-CG 4.22Å; F73-M77 HydrophobicContact CE2-SD 4.33Å; F73-M77 HydrophobicContact CZ-CG 3.68Å; F73-M77 HydrophobicContact CZ-SD 3.9Å; F73-M77 WeakPolarHBondContact O-CG 3.32Å; F73-M77 PolarHBondContact O-N 3.5Å
74N86.8Confident81.3Confident82 Ų82110.2 Ų110.244%0.43957%0.573SS.*Hα-helixtrans-61.8-43.3178.1-73.7-21.7000111.5Y70 N71 F76 M77 M78Y70-N74 WeakPolarHBondContact O-CB 3.35Å; Y70-N74 PolarHBondContact O-N 3.36Å; Y70-N74 PolarHBondContact O-ND2 3.49Å; N71-N74 PolarHBondContact O-N 3.31Å; N74-F76 VanDerWaalsContact C-N 3.32Å; N74-F76 PolarHBondContact O-N 3.16Å; N74-M77 PolarHBondContact O-N 3.09Å; N74-M78 WeakPolarHBondContact O-CG 3.37Å; N74-M78 PolarHBondContact O-N 3.12Å
75L88.8Confident81.7Confident104 Ų104109.7 Ų109.755%0.54557%0.565SS.*Hα-helixtrans-61.2-43175.4-176.663.9000111.3N71 T72 F73 M78 T79N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 PolarHBondContact O-N 2.74Å; T72-L75 PolarHBondContact O-N 3.41Å; F73-L75 VanDerWaalsContact C-N 3.35Å; F73-L75 PolarHBondContact O-N 2.91Å; L75-M78 PolarHBondContact O-N 2.96Å; L75-T79 HydrophobicContact CD1-CG2 4.11Å; L75-T79 WeakPolarHBondContact O-CB 3.46Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.38Å; L75-T79 PolarHBondContact O-OG1 3.41Å
76F89.5Confident81.6Confident114 Ų114112.1 Ų112.150%0.557%0.574SS.*Hα-helixtrans-62.1-44.2175.2177.9-96.6000112.2T72 F73 N74 T79 S80T72-F76 WeakPolarHBondContact O-CB 3.38Å; T72-F76 PolarHBondContact O-N 3.05Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.49Å; N74-F76 VanDerWaalsContact C-N 3.32Å; N74-F76 PolarHBondContact O-N 3.16Å; F76-T79 PolarHBondContact O-N 2.99Å; F76-T79 PolarHBondContact O-OG1 3.23Å; F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 2.97Å; F76-S80 PolarHBondContact O-OG 3.11Å
77M90Very high81.6Confident65 Ų65113 Ų11332%0.3257%0.573SS.*Hα-helixtrans-64.3-42.9177.8-69.7-61.4-72.500112.1F73 N74 T79 K82F73-M77 HydrophobicContact CD1-CG 4.03Å; F73-M77 HydrophobicContact CE1-CG 3.57Å; F73-M77 HydrophobicContact CE1-SD 4.38Å; F73-M77 HydrophobicContact CE2-CG 4.22Å; F73-M77 HydrophobicContact CE2-SD 4.33Å; F73-M77 HydrophobicContact CZ-CG 3.68Å; F73-M77 HydrophobicContact CZ-SD 3.9Å; F73-M77 WeakPolarHBondContact O-CG 3.32Å; F73-M77 PolarHBondContact O-N 3.5Å; N74-M77 PolarHBondContact O-N 3.09Å; M77-T79 PolarHBondContact O-N 3.2Å; M77-K82 HydrophobicContact CE-CB 4.26Å; M77-K82 WeakPolarHBondContact CE-O 3.11Å; M77-K82 HydrophobicContact SD-CB 4.48Å
78M87.8Confident81.1Confident133 Ų133108.5 Ų108.566%0.65557%0.565SS**Hα-helixtrans-65.9-35.3177.4-70.9-174.7-67.800113.1N74 L75N74-M78 WeakPolarHBondContact O-CG 3.37Å; N74-M78 PolarHBondContact O-N 3.12Å; L75-M78 PolarHBondContact O-N 2.96Å
79T87Confident81.1Confident102 Ų102111.4 Ų111.463%0.62658%0.579SS**Hα-helixtrans-93.6-29.7-17454.30000114.1L75 F76 M77 G81L75-T79 HydrophobicContact CD1-CG2 4.11Å; L75-T79 WeakPolarHBondContact O-CB 3.46Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.38Å; L75-T79 PolarHBondContact O-OG1 3.41Å; F76-T79 PolarHBondContact O-N 2.99Å; F76-T79 PolarHBondContact O-OG1 3.23Å; M77-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 3.14Å
80S85.4Confident80.9Confident46 Ų46111.4 Ų111.432%0.32258%0.582SS.*THydrogen-bonded Turntrans-73.9-0.117964.10000113.9F76 K82F76-S80 WeakPolarHBondContact O-CB 3.5Å; F76-S80 PolarHBondContact O-N 2.97Å; F76-S80 PolarHBondContact O-OG 3.11Å; S80-K82 PolarHBondContact O-N 3.15Å
81G73.5Confident80.3Confident65 Ų65108.4 Ų108.467%0.6758%0.58SS**THydrogen-bonded Turntrans70.46.7-178.100000113.9T79 V83T79-G81 PolarHBondContact O-N 3.14Å; G81-V83 VanDerWaalsContact C-N 3.29Å; G81-V83 PolarHBondContact O-N 2.65Å; G81-V83 VanDerWaalsContact O-N 3.15Å
82K67.1Low80Confident134 Ų134109.7 Ų109.758%0.58359%0.587SS**  trans-86.971.2174.4-64.2-179.8-178.21750109.3M77 S80M77-K82 HydrophobicContact CE-CB 4.26Å; M77-K82 WeakPolarHBondContact CE-O 3.11Å; M77-K82 HydrophobicContact SD-CB 4.48Å; S80-K82 PolarHBondContact O-N 3.15Å
83V63.1Low79.5Confident123 Ų123111.9 Ų111.975%0.74559%0.594SS**  trans-106.4106.8161.4-175.50000105.8G81G81-V83 VanDerWaalsContact C-N 3.29Å; G81-V83 PolarHBondContact O-N 2.65Å; G81-V83 VanDerWaalsContact O-N 3.15Å
84Q47.5Very low78.8Confident264 Ų264112 Ų112100%1.23460%0.603SS**  trans-117.30166.6-137.7177.710.400107.9

Retrieved 84 of 84 residues in 105.1 ms (Link to these results)