A0A5K4F5E4_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F5E4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 122 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
1M47.7Very low63Low225 Ų225136.1 Ų136.1100%1.10879%0.786SS**  0106.60-149.5172.1-17600106.5
2L51.2Low62.1Low169 Ų169129.7 Ų129.789%0.88576%0.755SS**  trans-82.8129.1178.2-8597.9000109.2
3H56.6Low61.8Low172 Ų172134.8 Ų134.880%0.79676%0.762SS**  trans-92.9117170.9-75.8-103.6000108.9
4T62.4Low61.3Low132 Ų132136 Ų13681%0.8176%0.759SS**  trans-104.6124.2172.8-510000108.7
5T71.8Confident60.7Low125 Ų125135 Ų13577%0.76775%0.751SS**  trans-104.6120173.2-54.60000108.8
6A66.2Low60.1Low90 Ų90133.1 Ų133.174%0.74474%0.744SS**PPolyproline II helixtrans-93133.3171.100000109.9
7C67.6Low59.4Low117 Ų117134.7 Ų134.779%0.79175%0.75SS**PPolyproline II helixtrans-98.6125.7173.6-56.30000109.2
8I69.8Low58.6Low110 Ų110133.1 Ų133.156%0.56475%0.749SS**PPolyproline II helixtrans-99.2122.6173.6-59172.1000108.2T10 F103I8-T10 HydrophobicContact CG2-CG2 4.36Å; I8-F103 HydrophobicContact CD1-CE1 3.87Å; I8-F103 HydrophobicContact CD1-CZ 4.13Å
9T66.4Low57.9Low128 Ų128130.1 Ų130.179%0.78574%0.737SS**PPolyproline II helixtrans-101.3123.5169.3-55.70000108.1
10T66.3Low57Low119 Ų119129.6 Ų129.673%0.7374%0.743SS**PPolyproline II helixtrans-98.9139.5171.451.70000109.6I8I8-T10 HydrophobicContact CG2-CG2 4.36Å
11V66.4Low56.7Low110 Ų110132.2 Ų132.267%0.66775%0.746SS**  trans-107.8136.6168.4-67.10000108.4V16V11-V16 HydrophobicContact CG2-CG2 4.28Å
12S52.9Low56.5Low59 Ų59126 Ų12641%0.41372%0.724SS.*  trans-66.7143.4173.8600000109.8E14 N15S12-E14 WeakPolarHBondContact CB-OE1 3.36Å; S12-E14 PolarHBondContact O-N 3.33Å; S12-E14 WeakPolarHBondContact OG-CG 3.39Å; S12-E14 PolarHBondContact OG-OE1 3.31Å; S12-N15 PolarHBondContact O-N 3.11Å; S12-N15 VanDerWaalsContact O-N 3.11Å
13K57.8Low55.9Low196 Ų196123.7 Ų123.785%0.85272%0.722SS**THydrogen-bonded Turntrans-61.5-13.6-172.7-156.5173.6-177.31780113.3
14E55.5Low55.5Low152 Ų152121.4 Ų121.471%0.7172%0.721SS**THydrogen-bonded Turntrans-78.4-16.2178.165.8-131163.600114.3S12S12-E14 WeakPolarHBondContact CB-OE1 3.36Å; S12-E14 PolarHBondContact O-N 3.33Å; S12-E14 WeakPolarHBondContact OG-CG 3.39Å; S12-E14 PolarHBondContact OG-OE1 3.31Å
15N51.5Low54.6Low121 Ų121121.5 Ų121.565%0.64772%0.722SS**SBendtrans-97.3-3.2-175.9-116.545.7000115.1S12S12-N15 PolarHBondContact O-N 3.11Å; S12-N15 VanDerWaalsContact O-N 3.11Å
16V51.9Low53.4Low105 Ų105123.2 Ų123.264%0.63673%0.725SS**THydrogen-bonded Turntrans-84.8-9.7-173.9-174.20000112.8V11V11-V16 HydrophobicContact CG2-CG2 4.28Å
17L48.4Very low52.5Low160 Ų160124.3 Ų124.384%0.83873%0.725SS**THydrogen-bonded Turntrans-92.27.4-175.6-71.1167000114.3
18S44.9Very low50.8Low105 Ų105125.5 Ų125.573%0.73473%0.728SS**SBendtrans-14750.1-170.2-490000113.7
19S44.7Very low49.6Very low76 Ų76124.7 Ų124.753%0.53173%0.733SS.*  trans-166.5113.2148.943.50000110.9F21S19-F21 PolarHBondContact O-N 3.07Å; S19-F21 VanDerWaalsContact O-N 3.1Å; S19-F21 WeakPolarHBondContact OG-CD2 3.4Å; S19-F21 VanDerWaalsContact OG-CE2 3.29Å; S19-F21 WeakPolarHBondContact OG-CE2 3.46Å
20S40.2Very low48.2Very low121 Ų121126.4 Ų126.485%0.84674%0.737SS**  trans-66.899.4162.8-165.20000106.9
21F49.4Very low47.1Very low184 Ų184128.9 Ų128.981%0.80775%0.745SS**  trans-96.7108.2170.4-86.4-74.7000109.5S19S19-F21 PolarHBondContact O-N 3.07Å; S19-F21 VanDerWaalsContact O-N 3.1Å; S19-F21 WeakPolarHBondContact OG-CD2 3.4Å; S19-F21 VanDerWaalsContact OG-CE2 3.29Å; S19-F21 WeakPolarHBondContact OG-CE2 3.46Å
22S45.2Very low45.7Very low94 Ų94130.4 Ų130.466%0.65775%0.749SS**  trans-53142.9175-470000111.5T24S22-T24 PolarHBondContact O-N 2.95Å
23S37.4Very low44.9Very low121 Ų121134.2 Ų134.285%0.84677%0.77SS**  trans-46.6115.5167.9510000111.8
24T49Very low44.1Very low125 Ų125129.7 Ų129.777%0.76776%0.763SS**  trans-128114162.342.50000109.7S22S22-T24 PolarHBondContact O-N 2.95Å
25T44.2Very low43.2Very low134 Ų134129.9 Ų129.982%0.82277%0.768SS**  trans-32.5128166.745.90000114P27T25-P27 WeakPolarHBondContact O-CD 3.37Å
26L46Very low43.1Very low160 Ų160130.2 Ų130.284%0.83878%0.777SS**  trans-64.1125.9163.2-92.779.7000109.1T28L26-T28 PolarHBondContact O-N 2.83Å
27P46.5Very low42.5Very low114 Ų114133.2 Ų133.274%0.7478%0.784SS**  trans-73.9112.7167.529-28.7000108.9T25 S29T25-P27 WeakPolarHBondContact O-CD 3.37Å; P27-S29 PolarHBondContact O-N 3Å
28T33Very low42.3Very low141 Ų141134.9 Ų134.987%0.86579%0.788SS**  trans-75.3101161.3500000107.7L26L26-T28 PolarHBondContact O-N 2.83Å
29S44.9Very low42.5Very low93 Ų93134 Ų13465%0.6578%0.778SS**  trans-150.9120.6166.9590000110.7P27 L31P27-S29 PolarHBondContact O-N 3Å; S29-L31 PolarHBondContact O-N 3.17Å
30N37Very low42.6Very low164 Ų164134.3 Ų134.388%0.87778%0.78SS**  trans-23116173.2-55.4-46.6000114.5D32N30-D32 VanDerWaalsContact C-N 3.31Å; N30-D32 PolarHBondContact O-N 2.87Å
31L41.4Very low43.3Very low171 Ų171135.7 Ų135.790%0.89577%0.771SS**  trans-76.188.1165.7-85.8150000108.1S29 T33S29-L31 PolarHBondContact O-N 3.17Å; L31-T33 PolarHBondContact O-N 3.04Å
32D37.2Very low43.4Very low143 Ų143131.5 Ų131.577%0.76577%0.765SS**  trans-64.6124.9163.4-153.3-12.9000108.3N30 S34N30-D32 VanDerWaalsContact C-N 3.31Å; N30-D32 PolarHBondContact O-N 2.87Å; D32-S34 PolarHBondContact O-N 2.8Å; D32-S34 VanDerWaalsContact O-N 3.16Å
33T37.4Very low43.6Very low139 Ų139134.1 Ų134.185%0.85377%0.771SS**  trans-86.687.5-174.317.50000108.8L31L31-T33 PolarHBondContact O-N 3.04Å
34S39.9Very low44.5Very low100 Ų100135 Ų13570%0.69977%0.766SS**  trans-141.6122.1161.262.20000112.3D32D32-S34 PolarHBondContact O-N 2.8Å; D32-S34 VanDerWaalsContact O-N 3.16Å
35L38.2Very low44.9Very low156 Ų156135.5 Ų135.582%0.81776%0.763SS**  trans65.3113.1165.5-144.870.2000117.5Q37L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 2.89Å
36P47.5Very low45.3Very low129 Ų129133.2 Ų133.284%0.83875%0.751SS**  trans-70.194.6169.129.2-30.1000108.5Q38P36-Q38 PolarHBondContact O-N 3.35Å; P36-Q38 VanDerWaalsContact O-N 3.17Å
37Q40Very low45.8Very low168 Ų168132 Ų13279%0.78576%0.755SS**  trans-70.2110.7167.5-141.617715.100106.9L35 T39L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 2.89Å; Q37-T39 VanDerWaalsContact C-N 3.29Å; Q37-T39 PolarHBondContact O-N 2.87Å
38Q44.3Very low46.1Very low195 Ų195132.9 Ų132.991%0.91175%0.751SS**  trans-63.488.8177.4-170.6-175.65.900109P36 S40P36-Q38 PolarHBondContact O-N 3.35Å; P36-Q38 VanDerWaalsContact O-N 3.17Å; Q38-S40 PolarHBondContact O-N 3.15Å
39T48.6Very low47.2Very low86 Ų86131.6 Ų131.653%0.52875%0.748SS.*  trans-73118.9171.152.10000108.2Q37 F41Q37-T39 VanDerWaalsContact C-N 3.29Å; Q37-T39 PolarHBondContact O-N 2.87Å; T39-F41 WeakPolarHBondContact O-CD2 3.45Å; T39-F41 PolarHBondContact O-N 2.95Å
40S46.9Very low48Very low82 Ų82134 Ų13457%0.57375%0.752SS**  trans-63.1107.1168.6-1770000108.8Q38 S42Q38-S40 PolarHBondContact O-N 3.15Å; S40-S42 PolarHBondContact O-N 2.66Å; S40-S42 VanDerWaalsContact O-N 3.12Å; S40-S42 PolarHBondContact OG-OG 2.94Å
41F56.2Low49.3Very low150 Ų150128.4 Ų128.466%0.65873%0.733SS**G310 helixtrans-690.7174.8-70.8-80.5000113.1T39 N43 L44T39-F41 WeakPolarHBondContact O-CD2 3.45Å; T39-F41 PolarHBondContact O-N 2.95Å; F41-N43 PolarHBondContact O-N 3.08Å; F41-N43 VanDerWaalsContact O-N 3.15Å; F41-L44 PolarHBondContact O-N 3.44Å
42S51.3Low50.3Low96 Ų96126.6 Ų126.667%0.67173%0.731SS**G310 helixtrans-64.9-18.7-174.2-62.60000114.6S40S40-S42 PolarHBondContact O-N 2.66Å; S40-S42 VanDerWaalsContact O-N 3.12Å; S40-S42 PolarHBondContact OG-OG 2.94Å
43N49.6Very low51.9Low150 Ų150129.1 Ų129.180%0.80273%0.73SS**G310 helixtrans-109.73.3-174-64.6-21.6000114.6F41F41-N43 PolarHBondContact O-N 3.08Å; F41-N43 VanDerWaalsContact O-N 3.15Å
44L54.6Low53Low138 Ų138129.8 Ų129.872%0.72373%0.727SS**SBendtrans-106.2-4-174.9-70.9175.9000114.4F41 P46F41-L44 PolarHBondContact O-N 3.44Å; L44-P46 WeakPolarHBondContact O-CD 3.15Å
45L58.4Low54.6Low137 Ų137130.7 Ų130.772%0.71772%0.72SS**SBendtrans-90.2118.4174.2-68.8165.3000107.7
46P52.8Low55.8Low86 Ų86128.9 Ų128.956%0.55872%0.719SS**  trans-49.8147.7164.5-19.530.5000108L44 M48L44-P46 WeakPolarHBondContact O-CD 3.15Å; P46-M48 HydrophobicContact CB-CE 4.13Å; P46-M48 HydrophobicContact CB-CG 4.11Å; P46-M48 HydrophobicContact CG-CE 3.99Å; P46-M48 PolarHBondContact O-N 3.06Å
47S55.7Low56.7Low133 Ų133129.5 Ų129.593%0.9371%0.71SS**SBendtrans-6431.8178.962.40000114.1
48M53.1Low57.6Low133 Ų133123.6 Ų123.666%0.65570%0.695SS**  trans-64.2133.1170.7-68.2-176.8-56.400108.3P46 I50P46-M48 HydrophobicContact CB-CE 4.13Å; P46-M48 HydrophobicContact CB-CG 4.11Å; P46-M48 HydrophobicContact CG-CE 3.99Å; P46-M48 PolarHBondContact O-N 3.06Å; M48-I50 PolarHBondContact O-N 3.38Å
49S57Low58.5Low115 Ų115126.7 Ų126.780%0.80470%0.698SS**  trans-43.6112166.7175.40000108.7G51S49-G51 PolarHBondContact O-N 2.82Å
50I61.4Low58.9Low144 Ų144131.1 Ų131.174%0.73871%0.713SS**  trans-58.7110.4172-66.7152.8000105.1M48M48-I50 PolarHBondContact O-N 3.38Å
51G64.6Low59.2Low45 Ų45130 Ų13046%0.46471%0.706SS.*  trans-58.6176.2175.500000111.5S49 R53S49-G51 PolarHBondContact O-N 2.82Å; G51-R53 PolarHBondContact O-N 3.34Å
52P61.3Low59Low133 Ų133130.3 Ų130.386%0.86471%0.714SS**  trans-50120.8-177.319.9-31.5000111I54P52-I54 PolarHBondContact O-N 3.44Å
53R70.7Confident59.1Low197 Ų197133 Ų13374%0.74372%0.72SS**  trans-76.8116-178-162.2-179-145.9-88.2-0.6108.4G51 E55G51-R53 PolarHBondContact O-N 3.34Å; R53-E55 PolarHBondContact O-N 3.12Å
54I61.2Low59.2Low152 Ų152131.7 Ų131.778%0.77972%0.72SS**  trans-83.2110.6170.3-59173.8000107.2P52P52-I54 PolarHBondContact O-N 3.44Å
55E73.7Confident59.2Low120 Ų120127.4 Ų127.456%0.56171%0.709SS**  trans-99.8111.5170.5-172.7179150.100108.7R53 Q57R53-E55 PolarHBondContact O-N 3.12Å; E55-Q57 HydrophobicContact CG-CG 4.42Å; E55-Q57 PolarHBondContact O-N 2.91Å; E55-Q57 PolarHBondContact OE1-NE2 3.05Å; E55-Q57 VanDerWaalsContact OE1-NE2 3.08Å
56C62.7Low59Low117 Ų117126.6 Ų126.679%0.79171%0.712SS**  trans-88102.5171.8-63.70000108.6G58C56-G58 PolarHBondContact O-N 3.49Å
57Q66.2Low58.6Low142 Ų142130.4 Ų130.466%0.66473%0.726SS**  trans-79.9112166.4-72.9-178.710.400108.8E55E55-Q57 HydrophobicContact CG-CG 4.42Å; E55-Q57 PolarHBondContact O-N 2.91Å; E55-Q57 PolarHBondContact OE1-NE2 3.05Å; E55-Q57 VanDerWaalsContact OE1-NE2 3.08Å
58G59.8Low58.3Low45 Ų45129.2 Ų129.246%0.46471%0.712SS.*  trans-62.3152.7167.500000110.2C56 E60 S61C56-G58 PolarHBondContact O-N 3.49Å; G58-E60 PolarHBondContact O-N 2.65Å; G58-S61 WeakPolarHBondContact CA-OG 3.39Å; G58-S61 PolarHBondContact N-OG 3.42Å; G58-S61 WeakPolarHBondContact O-CB 3.29Å; G58-S61 PolarHBondContact O-N 2.97Å; G58-S61 PolarHBondContact O-OG 2.66Å
59R62.1Low58Low259 Ų259128.2 Ų128.298%0.97772%0.716SS**THydrogen-bonded Turntrans-59.3-9-178.1-152.5178.9-179171.30114.2
60E57.3Low57.4Low180 Ų180128.3 Ų128.384%0.84172%0.716SS**THydrogen-bonded Turntrans-111.36.1-177.8-43.4-159.4158.300113.1G58 N62G58-E60 PolarHBondContact O-N 2.65Å; E60-N62 VanDerWaalsContact C-N 3.34Å; E60-N62 PolarHBondContact O-N 3.11Å
61S52.6Low56.6Low59 Ų59125.4 Ų125.441%0.41371%0.714SS.*  trans-77.378.3-176.9-37.50000111.1G58 L63G58-S61 WeakPolarHBondContact CA-OG 3.39Å; G58-S61 PolarHBondContact N-OG 3.42Å; G58-S61 WeakPolarHBondContact O-CB 3.29Å; G58-S61 PolarHBondContact O-N 2.97Å; G58-S61 PolarHBondContact O-OG 2.66Å; S61-L63 VanDerWaalsContact C-N 3.27Å
62N53Low55.4Low156 Ų156131.2 Ų131.283%0.83473%0.734SS**  trans-89.415.7168.7-76.5-59.2000113E60E60-N62 VanDerWaalsContact C-N 3.34Å; E60-N62 PolarHBondContact O-N 3.11Å
63L52.8Low54.5Low152 Ų152132 Ų13280%0.79673%0.73SS**SBendtrans-86.9125.2175.9-81.7123.7000109.7S61 G65S61-L63 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 2.98Å
64P53.4Low53.1Low123 Ų123130.3 Ų130.380%0.79974%0.735SS**PPolyproline II helixtrans-58.1116.9168.423.5-29.6000107.7
65G53.6Low52.2Low48 Ų48129.7 Ų129.750%0.49573%0.733SS.*PPolyproline II helixtrans-56.7142.6178.300000110.2L63 I67L63-G65 PolarHBondContact O-N 2.98Å; G65-I67 PolarHBondContact O-N 2.99Å
66P53.3Low50.8Low119 Ų119129.4 Ų129.477%0.77374%0.742SS**PPolyproline II helixtrans-58.8125175.224-31.3000109V68P66-V68 VanDerWaalsContact C-N 3.34Å; P66-V68 PolarHBondContact O-N 2.87Å
67I45.6Very low49.7Very low167 Ų167129.8 Ų129.886%0.85674%0.741SS**  trans-62.397.3172.8-59.7166.2000106.6G65G65-I67 PolarHBondContact O-N 2.99Å
68V48.8Very low48.3Very low107 Ų107127.8 Ų127.865%0.64874%0.742SS**  trans-74.3123.8166.7-179.30000106.3P66 S70P66-V68 VanDerWaalsContact C-N 3.34Å; P66-V68 PolarHBondContact O-N 2.87Å; V68-S70 PolarHBondContact O-N 2.74Å; V68-S70 VanDerWaalsContact O-N 3.07Å
69P46.9Very low47.5Very low113 Ų113131.8 Ų131.873%0.73476%0.76SS**  trans-59.2118.5177.7-16.928.8000108.7A71P69-A71 PolarHBondContact O-N 3.47Å
70S44.4Very low46.7Very low116 Ų116124.2 Ų124.281%0.81175%0.747SS**  trans-63.1101.9172.1-55.40000108.3V68 N72V68-S70 PolarHBondContact O-N 2.74Å; V68-S70 VanDerWaalsContact O-N 3.07Å; S70-N72 PolarHBondContact O-N 3Å
71A44.8Very low45.9Very low84 Ų84122.3 Ų122.369%0.69474%0.742SS**  trans-62.5124.616100000106.9P69 I73P69-A71 PolarHBondContact O-N 3.47Å; A71-I73 PolarHBondContact O-N 2.82Å
72N39.3Very low45.3Very low166 Ų166127.7 Ų127.789%0.88876%0.763SS**  trans-44.796.8-179.9-78.3-17.3000112.1S70 L74S70-N72 PolarHBondContact O-N 3Å; N72-L74 PolarHBondContact O-N 3.17Å
73I42.4Very low44.6Very low149 Ų149124.4 Ų124.476%0.76475%0.749SS**  trans-87.199.7164.4-56.6177.4000105.6A71 N75A71-I73 PolarHBondContact O-N 2.82Å; I73-N75 PolarHBondContact O-N 3.1Å; I73-N75 VanDerWaalsContact O-N 3.11Å
74L41.9Very low44.3Very low163 Ų163125.5 Ų125.585%0.85375%0.754SS**  trans-53.4113.2165.8-151.186.2000107.5N72 P76N72-L74 PolarHBondContact O-N 3.17Å; L74-P76 WeakPolarHBondContact O-CD 3.25Å
75N41.5Very low43.9Very low139 Ų139124.9 Ų124.974%0.74375%0.748SS**  trans-46.3126.4177.3-88.5-26.2000111.9I73I73-N75 PolarHBondContact O-N 3.1Å; I73-N75 VanDerWaalsContact O-N 3.11Å
76P45.4Very low43.3Very low114 Ų114130.9 Ų130.974%0.7476%0.76SS**  trans-82.1103.4136.729.1-19.3000107.1L74 S78L74-P76 WeakPolarHBondContact O-CD 3.25Å; P76-S78 PolarHBondContact O-N 2.82Å
77T38.4Very low42.9Very low125 Ų125132.4 Ų132.477%0.76776%0.761SS**SBendtrans-47.6103.9171-45.60000111
78S36.6Very low42.6Very low100 Ų100130.5 Ų130.570%0.69975%0.753SS**  trans177.9108149.3-73.70000108.1P76 S80P76-S78 PolarHBondContact O-N 2.82Å; S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 2.78Å
79P44.3Very low42.1Very low129 Ų129131 Ų13184%0.83875%0.752SS**  trans-68.995.5165.129.1-28.9000106.9N81P79-N81 PolarHBondContact O-N 3.18Å
80S43.6Very low41.8Very low99 Ų99131.8 Ų131.869%0.69276%0.757SS**  trans-65.396160.8-176.10000105.9S78 M82S78-S80 VanDerWaalsContact C-N 3.29Å; S78-S80 PolarHBondContact O-N 2.78Å; S80-M82 PolarHBondContact O-N 2.87Å
81N41.3Very low41.5Very low140 Ų140131 Ų13175%0.74975%0.752SS**  trans-68.282.9177.5-155.9-1.3000106.7P79 T83P79-N81 PolarHBondContact O-N 3.18Å; N81-T83 PolarHBondContact O-N 3.06Å
82M39.2Very low41Very low173 Ų173132.1 Ų132.185%0.85275%0.753SS**  trans-75.868.2176.1-132.8-174.2-6800107.8S80 L84S80-M82 PolarHBondContact O-N 2.87Å; M82-L84 PolarHBondContact O-N 2.85Å
83T39.6Very low40.8Very low86 Ų86130.6 Ų130.653%0.52876%0.756SS.*  trans-64.9128.3167.1-59.20000106.7N81 V85N81-T83 PolarHBondContact O-N 3.06Å; T83-V85 PolarHBondContact O-N 3.43Å
84L46.4Very low40.8Very low175 Ų175126 Ų12692%0.91675%0.745SS**  trans-62.287.8162.8-71.3172.8000107.3M82 K86M82-L84 PolarHBondContact O-N 2.85Å; L84-K86 PolarHBondContact O-N 3.16Å
85V43.8Very low40.9Very low110 Ų110124.2 Ų124.267%0.66775%0.746SS**  trans-67.5107.9174.7-177.40000105.6T83 L87T83-V85 PolarHBondContact O-N 3.43Å; V85-L87 PolarHBondContact O-N 3.37Å
86K42.4Very low41.5Very low174 Ų174120.9 Ų120.976%0.75775%0.745SS**  trans-59.597.3164.2-168.4171.9-179.4174.50106L84 N88L84-K86 PolarHBondContact O-N 3.16Å; K86-N88 PolarHBondContact O-N 2.88Å
87L43.4Very low42.3Very low151 Ų151124 Ų12479%0.79175%0.747SS**  trans-62.889170.1-90155.6000106.5V85 N89V85-L87 PolarHBondContact O-N 3.37Å; L87-N89 PolarHBondContact O-N 3.16Å
88N40.2Very low43.9Very low128 Ų128124.8 Ų124.868%0.68475%0.746SS**  trans-69.374163.9-770.9000106.8K86 P90K86-N88 PolarHBondContact O-N 2.88Å; N88-P90 VanDerWaalsContact O-CD 3.25Å; N88-P90 WeakPolarHBondContact O-CD 3.49Å
89N37.6Very low45.9Very low116 Ų116123 Ų12362%0.6273%0.731SS**  trans-75.9109.8165.6-131.5-10.3000105.9L87 S91L87-N89 PolarHBondContact O-N 3.16Å; N89-S91 PolarHBondContact O-N 3.24Å
90P40.9Very low47.6Very low131 Ų131122 Ų12285%0.85172%0.722SS**THydrogen-bonded Turntrans-75.79.9-175.911.81.5000113N88N88-P90 VanDerWaalsContact O-CD 3.25Å; N88-P90 WeakPolarHBondContact O-CD 3.49Å
91S39.3Very low49.5Very low99 Ų99118.8 Ų118.869%0.69270%0.702SS**THydrogen-bonded Turntrans-106.216-174.151.80000114.7N89N89-S91 PolarHBondContact O-N 3.24Å
92C34.6Very low51.5Low108 Ų108116.1 Ų116.173%0.7369%0.687SS**  trans-129.583167.6-144.40000110.4G94C92-G94 PolarHBondContact O-N 2.95Å
93S34.8Very low53.7Low134 Ų134111.9 Ų111.994%0.93766%0.664SS**  trans-64.487.2160.8161.60000108.2
94G41.4Very low56.1Low53 Ų53108.6 Ų108.655%0.54664%0.644SS.*  trans-170.5117.2173.600000108.4C92 G96C92-G94 PolarHBondContact O-N 2.95Å; G94-G96 PolarHBondContact O-N 3.5Å
95S44.9Very low57.9Low124 Ų124105 Ų10587%0.86762%0.624SS**  trans-64.260.316451.10000110.2K97S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 3.24Å
96G54.3Low59.9Low70 Ų70104.6 Ų104.672%0.72263%0.626SS**  trans-6689.7176.900000107.9G94 L98G94-G96 PolarHBondContact O-N 3.5Å; G96-L98 PolarHBondContact O-N 3.19Å
97K62.3Low62.1Low178 Ų178100 Ų10077%0.77461%0.61SS**  trans-48.6119.7167.5-73177.7176.4177.70106.2S95 T99S95-K97 VanDerWaalsContact C-N 3.26Å; S95-K97 PolarHBondContact O-N 3.24Å; K97-T99 PolarHBondContact O-N 2.97Å
98L70.1Confident64.2Low143 Ų14396.1 Ų96.175%0.74961%0.605SS**  trans-63.895171-16890.5000106.2G96G96-L98 PolarHBondContact O-N 3.19Å
99T78.6Confident66.5Low63 Ų6393.3 Ų93.339%0.38759%0.59SS.*  trans-77.6149.4175.662.80000108.5K97 A101 N102 F103K97-T99 PolarHBondContact O-N 2.97Å; T99-A101 PolarHBondContact O-N 3.06Å; T99-N102 PolarHBondContact O-N 3.25Å; T99-N102 WeakPolarHBondContact OG1-CB 3.42Å; T99-N102 PolarHBondContact OG1-N 3.35Å; T99-N102 VanDerWaalsContact OG1-N 3.15Å; T99-N102 PolarHBondContact OG1-ND2 3.02Å; T99-N102 PolarHBondContact OG1-OD1 2.7Å; T99-F103 PolarHBondContact O-N 3.05Å
100T80.6Confident68.7Low108 Ų10889.4 Ų89.466%0.66358%0.577SS**Hα-helixtrans-53.2-37.6174.1-50.40000111F103 L104T100-F103 PolarHBondContact O-N 3.01Å; T100-L104 HydrophobicContact CG2-CD1 4.12Å; T100-L104 HydrophobicContact CG2-CG 4.47Å; T100-L104 VanDerWaalsContact O-CG 3.3Å; T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.32Å
101A84Confident70.8Confident31 Ų3191.2 Ų91.226%0.25657%0.574SS.*Hα-helixtrans-58.9-50173.700000112.4T99 F103 L104 I105 V113T99-A101 PolarHBondContact O-N 3.06Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 3.4Å; A101-L104 PolarHBondContact O-N 3.16Å; A101-I105 WeakPolarHBondContact O-CB 3.34Å; A101-I105 WeakPolarHBondContact O-CD1 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.36Å; A101-V113 HydrophobicContact CB-CG1 3.82Å; A101-V113 HydrophobicContact CB-CG2 4.29Å
102N83.8Confident73.1Confident83 Ų8389.7 Ų89.744%0.44456%0.558SS.*Hα-helixtrans-62.9-36.7179.5-71.6-6.7000112.1T99 S106T99-N102 PolarHBondContact O-N 3.25Å; T99-N102 WeakPolarHBondContact OG1-CB 3.42Å; T99-N102 PolarHBondContact OG1-N 3.35Å; T99-N102 VanDerWaalsContact OG1-N 3.15Å; T99-N102 PolarHBondContact OG1-ND2 3.02Å; T99-N102 PolarHBondContact OG1-OD1 2.7Å; N102-S106 WeakPolarHBondContact O-CB 2.97Å; N102-S106 PolarHBondContact O-N 2.91Å; N102-S106 PolarHBondContact O-OG 3.47Å
103F85.6Confident75.4Confident84 Ų8485.4 Ų85.437%0.36853%0.528SS..Hα-helixtrans-64-49.1174.6176.9-103.5000111.8I8 T99 T100 A101 I105 S106 L107I8-F103 HydrophobicContact CD1-CE1 3.87Å; I8-F103 HydrophobicContact CD1-CZ 4.13Å; T99-F103 PolarHBondContact O-N 3.05Å; T100-F103 PolarHBondContact O-N 3.01Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 3.4Å; F103-I105 PolarHBondContact O-N 3.32Å; F103-S106 PolarHBondContact O-N 3.27Å; F103-L107 HydrophobicContact CD1-CD1 4.13Å; F103-L107 HydrophobicContact CE1-CD1 3.52Å; F103-L107 HydrophobicContact CE2-CD1 4.18Å; F103-L107 HydrophobicContact CZ-CD1 3.56Å; F103-L107 HydrophobicContact CZ-CG 4.41Å; F103-L107 WeakPolarHBondContact O-CG 3.3Å; F103-L107 PolarHBondContact O-N 2.97Å
104L88.4Confident77.7Confident18 Ų1884 Ų849%0.09451%0.507CS..Hα-helixtrans-63.5-42.8178.8-69.7172.4000112.1T100 A101 S106 L107 G108 L109 L112 V113 F116T100-L104 HydrophobicContact CG2-CD1 4.12Å; T100-L104 HydrophobicContact CG2-CG 4.47Å; T100-L104 VanDerWaalsContact O-CG 3.3Å; T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.32Å; A101-L104 PolarHBondContact O-N 3.16Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.4Å; L104-L107 PolarHBondContact O-N 3.35Å; L104-L107 VanDerWaalsContact O-N 3.16Å; L104-G108 PolarHBondContact O-N 2.88Å; L104-L109 HydrophobicContact CB-CB 4.31Å; L104-L109 HydrophobicContact CD2-CB 4.24Å; L104-L109 HydrophobicContact CD2-CD1 4.03Å; L104-L109 WeakPolarHBondContact O-CA 3.24Å; L104-L109 WeakPolarHBondContact O-CB 3.43Å; L104-L109 PolarHBondContact O-N 3.2Å; L104-L112 HydrophobicContact CD1-CB 4.45Å; L104-V113 HydrophobicContact CB-CG2 3.7Å; L104-V113 HydrophobicContact CD1-CG2 3.96Å; L104-V113 HydrophobicContact CG-CG2 4.49Å; L104-F116 HydrophobicContact CD1-CD2 3.91Å; L104-F116 HydrophobicContact CD1-CE2 3.83Å
105I86Confident79.8Confident98 Ų9886.3 Ų86.350%0.50351%0.506SS..Hα-helixtrans-60.1-43.2175.4-68.4164.6000110.5A101 F103 L107 G108 V113A101-I105 WeakPolarHBondContact O-CB 3.34Å; A101-I105 WeakPolarHBondContact O-CD1 3.42Å; A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.36Å; F103-I105 PolarHBondContact O-N 3.32Å; I105-L107 PolarHBondContact O-N 3.41Å; I105-G108 PolarHBondContact O-N 3.15Å; I105-V113 HydrophobicContact CG1-CG2 4.14Å
106S85.8Confident81.7Confident102 Ų10285.5 Ų85.571%0.71349%0.487SS*.Hα-helixtrans-64.3-24.6179-58.90000113.4N102 F103 L104 G108N102-S106 WeakPolarHBondContact O-CB 2.97Å; N102-S106 PolarHBondContact O-N 2.91Å; N102-S106 PolarHBondContact O-OG 3.47Å; F103-S106 PolarHBondContact O-N 3.27Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.4Å; S106-G108 VanDerWaalsContact C-N 3.35Å
107L87.7Confident82.9Confident79 Ų7988.1 Ų88.141%0.41448%0.481SS..THydrogen-bonded Turntrans-87-0.1174-65.9178.4000113.6F103 L104 I105 L109F103-L107 HydrophobicContact CD1-CD1 4.13Å; F103-L107 HydrophobicContact CE1-CD1 3.52Å; F103-L107 HydrophobicContact CE2-CD1 4.18Å; F103-L107 HydrophobicContact CZ-CD1 3.56Å; F103-L107 HydrophobicContact CZ-CG 4.41Å; F103-L107 WeakPolarHBondContact O-CG 3.3Å; F103-L107 PolarHBondContact O-N 2.97Å; L104-L107 PolarHBondContact O-N 3.35Å; L104-L107 VanDerWaalsContact O-N 3.16Å; I105-L107 PolarHBondContact O-N 3.41Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 HydrophobicContact CB-CD1 4.08Å; L107-L109 HydrophobicContact CB-CG 4.08Å; L107-L109 HydrophobicContact CD1-CD1 4.24Å
108G86.5Confident83.8Confident68 Ų6886.1 Ų86.170%0.70147%0.472SS*.THydrogen-bonded Turntrans77.711-173.300000113.9L104 I105 S106 G110L104-G108 PolarHBondContact O-N 2.88Å; I105-G108 PolarHBondContact O-N 3.15Å; S106-G108 VanDerWaalsContact C-N 3.35Å; G108-G110 VanDerWaalsContact C-N 3.3Å; G108-G110 PolarHBondContact O-N 3.01Å
109L88.5Confident84.2Confident70 Ų7086.1 Ų86.137%0.36647%0.468SS..  trans-94.533-179.4-58.6174.7000112.2L104 L107 Q111 L112L104-L109 HydrophobicContact CB-CB 4.31Å; L104-L109 HydrophobicContact CD2-CB 4.24Å; L104-L109 HydrophobicContact CD2-CD1 4.03Å; L104-L109 WeakPolarHBondContact O-CA 3.24Å; L104-L109 WeakPolarHBondContact O-CB 3.43Å; L104-L109 PolarHBondContact O-N 3.2Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 HydrophobicContact CB-CD1 4.08Å; L107-L109 HydrophobicContact CB-CG 4.08Å; L107-L109 HydrophobicContact CD1-CD1 4.24Å; L109-Q111 PolarHBondContact O-N 2.82Å; L109-Q111 VanDerWaalsContact O-N 3.16Å; L109-L112 HydrophobicContact CB-CD1 4Å; L109-L112 HydrophobicContact CB-CG 4.34Å; L109-L112 HydrophobicContact CD1-CD1 4.09Å; L109-L112 HydrophobicContact CD2-CD1 4.31Å; L109-L112 HydrophobicContact CG-CD1 4.37Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 PolarHBondContact O-N 2.78Å
110G85.7Confident83.6Confident33 Ų3390.1 Ų90.134%0.3449%0.486SS..Hα-helixtrans-56.8-32.3-177.200000113.7G108 L112 V113 E114G108-G110 VanDerWaalsContact C-N 3.3Å; G108-G110 PolarHBondContact O-N 3.01Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.71Å; G110-V113 WeakPolarHBondContact O-CB 3.45Å; G110-V113 PolarHBondContact O-N 3.43Å; G110-V113 VanDerWaalsContact O-N 3.07Å; G110-E114 PolarHBondContact O-N 2.89Å
111Q84.6Confident82.6Confident169 Ų16991.2 Ų91.279%0.7949%0.493SS*.Hα-helixtrans-63.4-29.6176.1-65.3-178.21.400113.1L109 V113 E114 L115L109-Q111 PolarHBondContact O-N 2.82Å; L109-Q111 VanDerWaalsContact O-N 3.16Å; Q111-V113 VanDerWaalsContact C-N 3.3Å; Q111-E114 PolarHBondContact O-N 3.09Å; Q111-L115 PolarHBondContact O-N 3.29Å; Q111-L115 VanDerWaalsContact O-N 3.12Å
112L86.3Confident80.8Confident67 Ų6797.3 Ų97.335%0.35153%0.533SS..Hα-helixtrans-69.3-31.1174.9-67.8-178.3000111.6L104 L109 G110 E114 L115 F116L104-L112 HydrophobicContact CD1-CB 4.45Å; L109-L112 HydrophobicContact CB-CD1 4Å; L109-L112 HydrophobicContact CB-CG 4.34Å; L109-L112 HydrophobicContact CD1-CD1 4.09Å; L109-L112 HydrophobicContact CD2-CD1 4.31Å; L109-L112 HydrophobicContact CG-CD1 4.37Å; L109-L112 WeakPolarHBondContact O-CB 3.5Å; L109-L112 PolarHBondContact O-N 2.78Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.71Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-L115 PolarHBondContact O-N 2.87Å; L112-F116 HydrophobicContact CB-CD2 4.31Å; L112-F116 HydrophobicContact CB-CE2 4.04Å; L112-F116 WeakPolarHBondContact O-CB 3.4Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 WeakPolarHBondContact O-CG 3.4Å; L112-F116 PolarHBondContact O-N 3.12Å
113V84Confident80.6Confident18 Ų1898 Ų9811%0.10954%0.538CS..Hα-helixtrans-61.6-46.8175.4-176.50000109.8A101 L104 I105 G110 Q111 L115 F116 E117A101-V113 HydrophobicContact CB-CG1 3.82Å; A101-V113 HydrophobicContact CB-CG2 4.29Å; L104-V113 HydrophobicContact CB-CG2 3.7Å; L104-V113 HydrophobicContact CD1-CG2 3.96Å; L104-V113 HydrophobicContact CG-CG2 4.49Å; I105-V113 HydrophobicContact CG1-CG2 4.14Å; G110-V113 WeakPolarHBondContact O-CB 3.45Å; G110-V113 PolarHBondContact O-N 3.43Å; G110-V113 VanDerWaalsContact O-N 3.07Å; Q111-V113 VanDerWaalsContact C-N 3.3Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 2.99Å; V113-F116 PolarHBondContact O-N 3.4Å; V113-E117 WeakPolarHBondContact O-CG 3.38Å; V113-E117 PolarHBondContact O-N 3.49Å
114E82.3Confident80.3Confident105 Ų10598.7 Ų98.749%0.49155%0.547SS..Hα-helixtrans-62.5-37.9176.9-165.1-170.9154.300112G110 Q111 L112 E117 K118G110-E114 PolarHBondContact O-N 2.89Å; Q111-E114 PolarHBondContact O-N 3.09Å; L112-E114 VanDerWaalsContact C-N 3.33Å; E114-E117 PolarHBondContact O-N 3.07Å; E114-K118 HydrophobicContact CG-CD 4.46Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 WeakPolarHBondContact O-CG 3.35Å; E114-K118 PolarHBondContact O-N 3.4Å; E114-K118 IonicContact OE1-NZ 2.73Å; E114-K118 PolarHBondContact OE1-NZ 3.42Å
115L85.3Confident79.9Confident102 Ų102103.2 Ų103.253%0.53457%0.572SS.*Hα-helixtrans-67.8-42178-159.7143.4000111.6Q111 L112 V113 K118 E119Q111-L115 PolarHBondContact O-N 3.29Å; Q111-L115 VanDerWaalsContact O-N 3.12Å; L112-L115 PolarHBondContact O-N 2.87Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 2.99Å; L115-K118 PolarHBondContact O-N 3.42Å; L115-E119 WeakPolarHBondContact O-CB 3.48Å; L115-E119 PolarHBondContact O-N 3.27Å
116F84.7Confident79.5Confident106 Ų106103.5 Ų103.547%0.46558%0.576SS.*Hα-helixtrans-66-38.9174.1-71.2-53.1000112.3L104 L112 V113 L120L104-F116 HydrophobicContact CD1-CD2 3.91Å; L104-F116 HydrophobicContact CD1-CE2 3.83Å; L112-F116 HydrophobicContact CB-CD2 4.31Å; L112-F116 HydrophobicContact CB-CE2 4.04Å; L112-F116 WeakPolarHBondContact O-CB 3.4Å; L112-F116 WeakPolarHBondContact O-CD2 3.33Å; L112-F116 WeakPolarHBondContact O-CG 3.4Å; L112-F116 PolarHBondContact O-N 3.12Å; V113-F116 PolarHBondContact O-N 3.4Å; F116-L120 WeakPolarHBondContact O-CB 3.37Å; F116-L120 WeakPolarHBondContact O-CD1 3.5Å; F116-L120 WeakPolarHBondContact O-CG 3.41Å; F116-L120 PolarHBondContact O-N 3.42Å; F116-L120 VanDerWaalsContact O-N 3.09Å
117E80.9Confident79.2Confident125 Ų125103.6 Ų103.658%0.58457%0.567SS**Hα-helixtrans-65.5-38.6175.8-75.7-178.2179.200112.2V113 E114 V121V113-E117 WeakPolarHBondContact O-CG 3.38Å; V113-E117 PolarHBondContact O-N 3.49Å; E114-E117 PolarHBondContact O-N 3.07Å; E117-V121 WeakPolarHBondContact O-CG2 3.43Å
118K80.6Confident78.6Confident137 Ų137105.3 Ų105.360%0.59658%0.578SS**Hα-helixtrans-67.7-43.5175.4-83.3170.8165.2159.30112.7E114 L115 L120 V121E114-K118 HydrophobicContact CG-CD 4.46Å; E114-K118 WeakPolarHBondContact O-CB 3.44Å; E114-K118 WeakPolarHBondContact O-CG 3.35Å; E114-K118 PolarHBondContact O-N 3.4Å; E114-K118 IonicContact OE1-NZ 2.73Å; E114-K118 PolarHBondContact OE1-NZ 3.42Å; L115-K118 PolarHBondContact O-N 3.42Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.49Å; K118-V121 PolarHBondContact O-N 2.95Å
119E78.5Confident78Confident143 Ų143107.9 Ų107.967%0.66857%0.569SS**Hα-helixtrans-69.6-31.6-178.2-16569.3-172.200112.2L115 V121L115-E119 WeakPolarHBondContact O-CB 3.48Å; L115-E119 PolarHBondContact O-N 3.27Å; E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 PolarHBondContact O-N 2.73Å
120L65.4Low77.2Confident146 Ų146110.8 Ų110.876%0.76458%0.584SS**THydrogen-bonded Turntrans-75.6-10.8179.5-82.3162.3000114.5F116 K118F116-L120 WeakPolarHBondContact O-CB 3.37Å; F116-L120 WeakPolarHBondContact O-CD1 3.5Å; F116-L120 WeakPolarHBondContact O-CG 3.41Å; F116-L120 PolarHBondContact O-N 3.42Å; F116-L120 VanDerWaalsContact O-N 3.09Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 3.49Å
121V59.5Low76.5Confident131 Ų131117.3 Ų117.379%0.79461%0.605SS**THydrogen-bonded Turntrans-105.1-4.3-177.7178.90000112.5E117 K118 E119E117-V121 WeakPolarHBondContact O-CG2 3.43Å; K118-V121 PolarHBondContact O-N 2.95Å; E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 PolarHBondContact O-N 2.73Å
122S46.2Very low75.8Confident159 Ų159112.6 Ų112.6100%1.11259%0.588SS**  trans-91.80173.3-170.80000113

Retrieved 122 of 122 residues in 67.4 ms (Link to these results)