A0A077Z868_TRITR Loading...

Heavy metal ATPase 4-2

AlphaFold DB , UniProt , Accession A0A077Z868, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 86 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
1M35.5Very low46.1Very low249 Ų249149.8 Ų149.8100%1.22782%0.819SS**  0108.90-63.6169.6175.900107.6
2A39.5Very low46.9Very low107 Ų107153.9 Ų153.988%0.88481%0.813SS**  trans162.1106.9160.500000109.2
3Q37Very low47.6Very low192 Ų192154.6 Ų154.690%0.89780%0.8SS**  trans-76.2148.8165.1-63.7170.3-73.800109.4
4R40.5Very low48.2Very low238 Ų238150.6 Ų150.690%0.89879%0.785SS**  trans17596.9144.7-102.5165.2-177.6-166.5-0.1109.5
5S52.6Low48.4Very low106 Ų106146.2 Ų146.274%0.74177%0.771SS**  9890.892.5-72.10000110.3E7S5-E7 PolarHBondContact O-N 2.89Å
6T47.1Very low49Very low146 Ų146148.2 Ų148.290%0.89677%0.771SS**  trans-61.995.2162.9390000109.2G8T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 3.34Å
7E46.5Very low49.5Very low168 Ų168144.5 Ų144.579%0.78578%0.778SS**  trans-82.781.2174.1-147.2171.3112.600108.9S5 H9S5-E7 PolarHBondContact O-N 2.89Å; E7-H9 PolarHBondContact O-N 3.06Å
8G48.7Very low49.9Very low56 Ų56141 Ų14158%0.57778%0.781SS**  trans-67.1109.9169.600000109T6 T10T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 3.34Å; G8-T10 PolarHBondContact O-N 3.02Å; G8-T10 PolarHBondContact O-OG1 2.72Å; G8-T10 VanDerWaalsContact O-OG1 3.08Å; G8-T10 VanDerWaalsContact C-N 3.28Å
9H48.7Very low49.9Very low179 Ų179141.9 Ų141.983%0.82978%0.776SS**  trans-53.694.5168.3-72.5-76.9000109.1E7 T11E7-H9 PolarHBondContact O-N 3.06Å; H9-T11 PolarHBondContact O-N 3.23Å
10T53Low50Low109 Ų109138.8 Ų138.867%0.66977%0.77SS**  trans-94.694.1176.1-52.10000105.9G8 R12G8-T10 PolarHBondContact O-N 3.02Å; G8-T10 PolarHBondContact O-OG1 2.72Å; G8-T10 VanDerWaalsContact O-OG1 3.08Å; G8-T10 VanDerWaalsContact C-N 3.28Å; T10-R12 HydrophobicContact CG2-CG 4.49Å; T10-R12 PolarHBondContact O-N 3.21Å
11T57.7Low50.1Low98 Ų98135.9 Ų135.960%0.60176%0.759SS**  trans-59.7107172.7-51.70000108.4H9 Y13H9-T11 PolarHBondContact O-N 3.23Å; T11-Y13 HydrophobicContact CG2-CE1 4.23Å; T11-Y13 VanDerWaalsContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CD2 4.03Å
12R56.2Low51Low199 Ų199132 Ų13275%0.75174%0.738SS**  trans-92.3100.7176.6-72.6-174.8177-173.20.4108.4T10T10-R12 HydrophobicContact CG2-CG 4.49Å; T10-R12 PolarHBondContact O-N 3.21Å
13Y56.3Low51.5Low163 Ų163131 Ų13164%0.63972%0.718SS**  trans-74.3125.2168.8-63.1-89.7000109.2T11T11-Y13 HydrophobicContact CG2-CE1 4.23Å; T11-Y13 VanDerWaalsContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CE2 3.46Å; T11-Y13 HydrophobicContact CG2-CD2 4.03Å
14V55.2Low52.1Low99 Ų99130.5 Ų130.560%0.672%0.715SS**  trans-97.4106.5172.5-178.20000108.2K16V14-K16 HydrophobicContact CG1-CG 4.44Å; V14-K16 PolarHBondContact O-N 3.22Å
15C51.8Low52.8Low84 Ų84124.3 Ų124.357%0.56871%0.709SS**  trans-79.9107.4172.6-64.10000109.5
16K57.7Low52.8Low178 Ų178125.1 Ų125.177%0.77470%0.704SS**BIsolated β-bridgetrans-107.8127.2164.6-87.2-175.7175.91780109.2V14 G18V14-K16 HydrophobicContact CG1-CG 4.44Å; V14-K16 PolarHBondContact O-N 3.22Å; K16-G18 PolarHBondContact O-N 2.7Å
17G57.4Low53Low86 Ų86125.5 Ų125.589%0.88769%0.693SS**THydrogen-bonded Turntrans69.922.7172.600000116.3K19G17-K19 PolarHBondContact O-N 2.91Å
18G56Low52.9Low81 Ų81122.1 Ų122.184%0.83569%0.694SS**THydrogen-bonded Turntrans72.98179.500000114.8K16K16-G18 PolarHBondContact O-N 2.7Å
19K50.6Low53.1Low159 Ų159126.3 Ų126.369%0.69170%0.703SS**BIsolated β-bridgetrans-107.4125168.2-67.3-172.9176.6-175.50108.6G17 S21G17-K19 PolarHBondContact O-N 2.91Å; K19-S21 PolarHBondContact O-N 3.11Å
20A52.5Low53.3Low78 Ų78123.6 Ų123.665%0.64570%0.701SS**  trans-71.690.9162.300000106E22A20-E22 PolarHBondContact O-N 3.37Å
21S52.4Low53.2Low79 Ų79124.7 Ų124.755%0.55271%0.713SS**  trans-78115.8168.7-83.80000107.4K19 D23K19-S21 PolarHBondContact O-N 3.11Å; S21-D23 PolarHBondContact O-N 3.4Å
22E54.6Low52.7Low166 Ų166122.9 Ų122.978%0.77671%0.714SS**  trans-64.781.4158.4-68.5-179.5101.200106.8A20 E24A20-E22 PolarHBondContact O-N 3.37Å; E22-E24 PolarHBondContact O-N 3.09Å
23D49.9Very low52.6Low86 Ų86119.4 Ų119.446%0.4671%0.711SS.*  trans-77.678.5171.4-142.8-69.3000107.1S21 S25 L26S21-D23 PolarHBondContact O-N 3.4Å; D23-S25 PolarHBondContact O-N 3.15Å; D23-L26 HydrophobicContact CB-CB 4.45Å; D23-L26 HydrophobicContact CB-CD1 3.78Å; D23-L26 HydrophobicContact CB-CG 4.16Å; D23-L26 PolarHBondContact O-N 2.83Å; D23-L26 WeakPolarHBondContact OD1-CG 3.48Å
24E49.4Very low52.3Low182 Ų182123.5 Ų123.585%0.8573%0.725SS**THydrogen-bonded Turntrans-56.9-5.1172.7-74.8-165.487.900112.3E22E22-E24 PolarHBondContact O-N 3.09Å
25S53.7Low52.1Low108 Ų108124.7 Ų124.776%0.75572%0.724SS**THydrogen-bonded Turntrans-110.6-1.3-175.6-71.50000115.8D23D23-S25 PolarHBondContact O-N 3.15Å
26L54.3Low51.9Low123 Ų123128.9 Ų128.964%0.64474%0.74SS**SBendtrans-89.5-6.3178.6-80.5169.9000115D23D23-L26 HydrophobicContact CB-CB 4.45Å; D23-L26 HydrophobicContact CB-CD1 3.78Å; D23-L26 HydrophobicContact CB-CG 4.16Å; D23-L26 PolarHBondContact O-N 2.83Å; D23-L26 WeakPolarHBondContact OD1-CG 3.48Å
27F49.5Very low52Low154 Ų154128.8 Ų128.868%0.67574%0.74SS**  trans-127.772.5175.3-61.4-83.5000109.6L29F27-L29 PolarHBondContact O-N 3.34Å
28A45.8Very low51.6Low97 Ų97134.4 Ų134.480%0.80274%0.74SS**  trans-59.389.1156.500000107.7
29L52.7Low51.3Low144 Ų144140.6 Ų140.675%0.75474%0.743SS**  trans-55.7124.2166.2-74160.3000106F27 S31F27-L29 PolarHBondContact O-N 3.34Å; L29-S31 PolarHBondContact O-N 3.26Å
30P53.4Low51.6Low122 Ų122141.3 Ų141.379%0.79275%0.749SS**  trans-57115.9172.223-30.1000106.8G32P30-G32 PolarHBondContact O-N 3.02Å
31S50.5Low51.3Low133 Ų133144.6 Ų144.693%0.9376%0.756SS**  trans-60.1103.9175.7-69.10000107.9L29L29-S31 PolarHBondContact O-N 3.26Å
32G46.6Very low51.5Low60 Ų60147.9 Ų147.962%0.61977%0.767SS**  trans-165.4129.8179.200000109.4P30P30-G32 PolarHBondContact O-N 3.02Å
33D55.2Low51.3Low126 Ų126151.3 Ų151.367%0.67477%0.772SS**  trans73.367170-79.5-106000118.4Q35D33-Q35 PolarHBondContact O-N 3.08Å; D33-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.42Å; D33-Q35 PolarHBondContact OD1-NE2 3.1Å
34R48.7Very low51.3Low249 Ų249152.7 Ų152.794%0.9479%0.789SS**  trans-73.875.7145.5-69.5-179.8112171.84.8109.1
35Q52.5Low51.4Low124 Ų124149.6 Ų149.658%0.57979%0.785SS**  trans-86.5111166.2-76.3-161.370.600110.3D33 F37D33-Q35 PolarHBondContact O-N 3.08Å; D33-Q35 VanDerWaalsContact O-N 3.08Å; D33-Q35 WeakPolarHBondContact OD1-CG 3.42Å; D33-Q35 PolarHBondContact OD1-NE2 3.1Å; Q35-F37 PolarHBondContact O-N 3.32Å; Q35-F37 HydrophobicContact CB-CE2 3.71Å; Q35-F37 HydrophobicContact CB-CD2 4.29Å; Q35-F37 HydrophobicContact CB-CZ 4.38Å
36L47.5Very low51.5Low172 Ų172149.8 Ų149.890%0.90179%0.786SS**  trans-61.5108.3170.1-78108.8000109.9
37F58.2Low51.4Low176 Ų176149 Ų14977%0.77280%0.797SS**  trans-101.8115.4163.8-72.2-77.3000110.6Q35Q35-F37 PolarHBondContact O-N 3.32Å; Q35-F37 HydrophobicContact CB-CE2 3.71Å; Q35-F37 HydrophobicContact CB-CD2 4.29Å; Q35-F37 HydrophobicContact CB-CZ 4.38Å
38K48.9Very low51.5Low204 Ų204148.3 Ų148.389%0.88780%0.8SS**  trans-49.9135.6176.9-90.6167.6166.71730112.1E40K38-E40 PolarHBondContact O-N 3.41Å
39K51.6Low52Low210 Ų210152.7 Ų152.791%0.91380%0.801SS**  trans-75.3105.4170.1-173.4175.2-175.8176.90109.3
40E55Low52Low175 Ų175155.9 Ų155.982%0.81881%0.809SS**  trans-113.7143.8164.9-153.8175.6103.800109.9K38K38-E40 PolarHBondContact O-N 3.41Å
41N47.4Very low52.3Low146 Ų146157.6 Ų157.678%0.78181%0.81SS**  trans-115.8105-150.5-169.3-16.9000108.5
42L55.9Low52.5Low149 Ų149156.9 Ų156.978%0.7880%0.802SS**  trans-141.184.8178.5-90.6133.7000111.9
43R50.7Low52.8Low237 Ų237159.2 Ų159.289%0.89482%0.815SS**  trans22.7112.6130.9-141.8173.3-173.4-178.70.8117.6
44S51.1Low52.8Low115 Ų115156 Ų15680%0.80481%0.813SS**  trans-67159.5169.3-48.90000113.4
45P50.9Low53.4Low118 Ų118150.3 Ų150.377%0.76681%0.808SS**  -137.9136.3126.429.4-12.3000114.9
46S55.3Low53.5Low111 Ų111152.2 Ų152.278%0.77682%0.821SS**  trans67.594.8135.8-52.80000120.4D48S46-D48 PolarHBondContact O-N 2.88Å
47A51.7Low53.8Low106 Ų106149.9 Ų149.988%0.87682%0.816SS**  trans-2.5106.2130.500000117.4
48D53Low53.6Low140 Ų140149.4 Ų149.475%0.74982%0.821SS**  trans-146.5100.2149.8-168.5-97.3000108.3S46S46-D48 PolarHBondContact O-N 2.88Å
49K56.2Low53.6Low189 Ų189148.3 Ų148.382%0.82282%0.819SS**  trans170.3115.8137.7-93.2169.9-174.9-175.70111.7
50K51.5Low53.5Low212 Ų212141.7 Ų141.792%0.92281%0.81SS**  trans-50.8129.3176.7-61.2174.7176.4-170.60112.6
51I60.1Low53.5Low157 Ų157142 Ų14281%0.80581%0.809SS**  trans-112.6121.7159.7-52.8174.5000106.7A53I51-A53 PolarHBondContact O-N 3.06Å
52P54.3Low53.7Low119 Ų119144.5 Ų144.577%0.77382%0.816SS**  trans-73.1122.5-178.728-31.8000110.9G54P52-G54 PolarHBondContact O-N 3.05Å
53A52.4Low53.5Low108 Ų108146 Ų14689%0.89382%0.821SS**  trans-77.694.3170.300000109.7I51I51-A53 PolarHBondContact O-N 3.06Å
54G56.2Low53.4Low60 Ų60139.1 Ų139.162%0.61982%0.815SS**PPolyproline II helixtrans-85.8149.7164.600000111.2P52P52-G54 PolarHBondContact O-N 3.05Å
55P60.2Low53.4Low129 Ų129138.5 Ų138.584%0.83882%0.816SS**PPolyproline II helixtrans-70.7130.2-177.927.7-31.8000111.4
56L55.5Low53.5Low163 Ų163137.6 Ų137.685%0.85381%0.809SS**PPolyproline II helixtrans-69.5128.4171.5-72.2164000109.5
57P53.6Low53.6Low123 Ų123142.8 Ų142.880%0.79982%0.817SS**PPolyproline II helixtrans-66.6135.3177.524.3-30.9000112.2
58L53.5Low53.5Low167 Ų167144.4 Ų144.487%0.87481%0.811SS**PPolyproline II helixtrans-62.4168168.8-75.1123.9000112
59E49.8Very low53.2Low180 Ų180143 Ų14384%0.84180%0.804SS**  trans86.372.3173.5-63.5-166.776.700117.6
60G49Very low53Low71 Ų71140.1 Ų140.173%0.73280%0.802SS**  trans-98100.1152.200000110H62G60-H62 PolarHBondContact O-N 3.2Å
61K55.9Low52.5Low182 Ų182140.1 Ų140.179%0.79180%0.796SS**  trans-48.7126.9173.4-74.8174.7176.1177.20111.1M63K61-M63 PolarHBondContact O-N 2.75Å
62H51.7Low51.7Low199 Ų199137 Ų13792%0.92179%0.788SS**  trans-61106.2167.1-84.8-121.8000108.9G60G60-H62 PolarHBondContact O-N 3.2Å
63M50.3Low51.2Low181 Ų181139 Ų13989%0.89279%0.786SS**  trans-82.7126.5169.5-77.8-175173.300109.4K61K61-M63 PolarHBondContact O-N 2.75Å
64A49.4Very low50.8Low92 Ų92139.6 Ų139.676%0.7678%0.779SS**  trans-58134.7175.900000110.8T66A64-T66 PolarHBondContact O-N 3.45Å
65A51.7Low50.2Low102 Ų102148.3 Ų148.384%0.84379%0.793SS**  trans-68.290.1179.400000110.7
66T53.1Low49.5Very low98 Ų98148.5 Ų148.560%0.60179%0.786SS**  trans-65.9130.116627.40000109.2A64 N68 D69A64-T66 PolarHBondContact O-N 3.45Å; T66-N68 PolarHBondContact O-N 2.97Å; T66-D69 PolarHBondContact O-N 2.84Å
67K56.4Low48.9Very low221 Ų221146 Ų14696%0.96178%0.781SS**THydrogen-bonded Turntrans-58.513.4-174.7-76.1-178174.6179.50116.1
68N48.9Very low48.4Very low140 Ų140149.1 Ų149.175%0.74978%0.782SS**THydrogen-bonded Turntrans-138.821.9-176.1-132.6-30.6000113.1T66 T70T66-N68 PolarHBondContact O-N 2.97Å; N68-T70 VanDerWaalsContact C-N 3.33Å; N68-T70 PolarHBondContact O-N 3.42Å
69D47.3Very low48.1Very low110 Ų110146 Ų14659%0.58877%0.77SS**  trans-80.980177.2-134.5-84.1000110.6T66 R71T66-D69 PolarHBondContact O-N 2.84Å; D69-R71 PolarHBondContact O-N 3.11Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å
70T51.3Low48Very low128 Ų128148.3 Ų148.379%0.78577%0.771SS**  trans-72.97.3171.526.30000112.9N68 C72N68-T70 VanDerWaalsContact C-N 3.33Å; N68-T70 PolarHBondContact O-N 3.42Å; T70-C72 PolarHBondContact O-N 2.91Å
71R42Very low48Very low212 Ų212153 Ų15380%0.877%0.773SS**SBendtrans-76.873.9161.1-81.2-174.3170.6-167.8-0.3109.2D69 Q73D69-R71 PolarHBondContact O-N 3.11Å; D69-R71 WeakPolarHBondContact OD1-CB 3.42Å; R71-Q73 PolarHBondContact O-N 2.91Å; R71-Q73 VanDerWaalsContact O-N 3.11Å
72C42.9Very low47.3Very low93 Ų93149.4 Ų149.463%0.62877%0.767SS**  trans21.790.9130.7-99.80000112.8T70 V74T70-C72 PolarHBondContact O-N 2.91Å; C72-V74 HydrophobicContact CB-CG2 3.67Å; C72-V74 PolarHBondContact O-N 3.34Å
73Q44Very low47.3Very low160 Ų160147.7 Ų147.775%0.74876%0.764SS**  trans-60.543.1166.8-66.4-176.11500112.3R71 R75 L76R71-Q73 PolarHBondContact O-N 2.91Å; R71-Q73 VanDerWaalsContact O-N 3.11Å; Q73-R75 PolarHBondContact O-N 2.94Å; Q73-R75 VanDerWaalsContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.15Å
74V45Very low47.2Very low120 Ų120146.7 Ų146.773%0.72776%0.761SS**THydrogen-bonded Turntrans-68.3-6.4175.7-174.70000110.3C72C72-V74 HydrophobicContact CB-CG2 3.67Å; C72-V74 PolarHBondContact O-N 3.34Å
75R42.4Very low46.7Very low244 Ų244146 Ų14692%0.92176%0.763SS**THydrogen-bonded Turntrans-85.6-1.9171.3-81.3-170.8178-174.3-0.1115.4Q73Q73-R75 PolarHBondContact O-N 2.94Å; Q73-R75 VanDerWaalsContact O-N 3.09Å
76L45.3Very low46Very low132 Ų132153 Ų15369%0.69179%0.785SS**  trans-129.111.4-174-80.6164.7000116.9Q73 K78Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.15Å; L76-K78 PolarHBondContact O-N 2.86Å
77C42.7Very low45.6Very low110 Ų110155.8 Ų155.874%0.74379%0.794SS**  trans-75.256.8157.5-74.60000110.6T79C77-T79 PolarHBondContact O-N 2.77Å
78K44.4Very low45.1Very low190 Ų190152.4 Ų152.483%0.82679%0.785SS**  trans-89.558.7161.9-150.7178.2-169.4179.10106.3L76 R80L76-K78 PolarHBondContact O-N 2.86Å; K78-R80 VanDerWaalsContact O-N 3.1Å; K78-R80 PolarHBondContact O-N 2.91Å
79T47.5Very low44.9Very low102 Ų102153.1 Ų153.163%0.62679%0.787SS**  trans-68.7111.9176.6-24.70000106.3C77 H81C77-T79 PolarHBondContact O-N 2.77Å; T79-H81 VanDerWaalsContact C-N 3.31Å; T79-H81 PolarHBondContact O-N 2.95Å
80R47.4Very low44.7Very low227 Ų227155.6 Ų155.686%0.85780%0.799SS**  trans-52.897.6166.5-76.8173.2158.2177.1-6.8107.7K78 T82K78-R80 VanDerWaalsContact O-N 3.1Å; K78-R80 PolarHBondContact O-N 2.91Å; R80-T82 PolarHBondContact O-N 3.2Å
81H48.3Very low44.3Very low169 Ų169157.3 Ų157.378%0.78280%0.8SS**  trans-72.478.6155.9-77.1-101.2000106.4T79 L83T79-H81 VanDerWaalsContact C-N 3.31Å; T79-H81 PolarHBondContact O-N 2.95Å; H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 2.79Å; H81-L83 VanDerWaalsContact O-N 3.11Å
82T42.6Very low44.5Very low107 Ų107153.7 Ų153.766%0.65680%0.8SS**  trans-69.396.4157.8-58.50000105.1R80 L84R80-T82 PolarHBondContact O-N 3.2Å; T82-L84 PolarHBondContact O-N 3.36Å
83L51Low44.6Very low164 Ų164158 Ų15886%0.85981%0.812SS**  trans-60.791.9167.6-84.5147.4000107.6H81 G85H81-L83 VanDerWaalsContact C-N 3.28Å; H81-L83 PolarHBondContact O-N 2.79Å; H81-L83 VanDerWaalsContact O-N 3.11Å; L83-G85 PolarHBondContact O-N 3.08Å
84L48.3Very low44.6Very low160 Ų160157.8 Ų157.884%0.83882%0.817SS**  trans-57.9122.7159.5-86.3156.9000106.8T82T82-L84 PolarHBondContact O-N 3.36Å
85G37.8Very low44.6Very low76 Ų76161 Ų16178%0.78483%0.825SS**  trans-58.8133.3177.600000112L83L83-G85 PolarHBondContact O-N 3.08Å
86L37.7Very low44.8Very low251 Ų251153.5 Ų153.5100%1.31482%0.816SS**  trans-1490151.4-96.4163000106.5

Retrieved 86 of 86 residues in 15.4 ms (Link to these results)