A0A5K4F6V4_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6V4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 72 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
1M40.1Very low52.9Low250 Ų250168.7 Ų168.7100%1.23285%0.852SS**  0109.10-62.1-177.1-155.300107.8
2S50Low53Low115 Ų115166 Ų16680%0.80485%0.851SS**  trans-107.4103.2179.71710000108.2R4S2-R4 PolarHBondContact O-N 2.93Å
3A52.6Low53.3Low94 Ų94165.8 Ų165.878%0.77785%0.851SS**  trans-74.2106.9171.100000107.8Q5A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.3Å
4R52.9Low53.4Low225 Ų225162.8 Ų162.885%0.84985%0.852SS**  trans-6296.2165.6-87.2179.4169.7175.5-3.9107.9S2 R6S2-R4 PolarHBondContact O-N 2.93Å; R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 2.64Å
5Q52.3Low54.2Low183 Ų183155.5 Ų155.586%0.85583%0.832SS**  trans-58.793.9166.8-120.1175.5-1400107.8A3 R7A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.3Å; Q5-R7 PolarHBondContact O-N 3.29Å
6R53.6Low56Low234 Ų234158.6 Ų158.688%0.88384%0.836SS**  trans-71.993.9172.5-75.6-179.5167.5147-4.9107.6R4R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 2.64Å
7R56.6Low57.9Low224 Ų224159.1 Ų159.185%0.84584%0.839SS**  trans-60.3133.6164.3-77.6-177.5175.2173.1-1.4108Q5 I9Q5-R7 PolarHBondContact O-N 3.29Å; R7-I9 PolarHBondContact O-N 3.2Å
8P56.5Low59.8Low120 Ų120158.2 Ų158.278%0.77983%0.833SS**  trans-57.5131.3170-16.828.7000108.6A10P8-A10 PolarHBondContact O-N 3.23Å
9I59.3Low61.6Low151 Ų151154.5 Ų154.577%0.77483%0.828SS**  trans-65.6106.8170.1-64.9172.4000106.1R7 Q11R7-I9 PolarHBondContact O-N 3.2Å; I9-Q11 HydrophobicContact CG2-CB 4.07Å; I9-Q11 PolarHBondContact O-N 3.23Å
10A55.1Low63.3Low100 Ų100154.7 Ų154.783%0.82683%0.827SS**  trans-87.216.2178.700000112.8P8P8-A10 PolarHBondContact O-N 3.23Å
11Q52.7Low64.9Low160 Ų160153 Ų15375%0.74882%0.822SS**  trans-94.8108.9175.7-74.9178.1-28.200108.7I9 L13I9-Q11 HydrophobicContact CG2-CB 4.07Å; I9-Q11 PolarHBondContact O-N 3.23Å; Q11-L13 PolarHBondContact O-N 2.96Å
12T54.8Low67.6Low136 Ų136149.4 Ų149.483%0.83481%0.805SS**  trans-57.5110.8157.3-48.10000106.5S14T12-S14 PolarHBondContact O-N 3.16Å
13L56.5Low69.8Low163 Ų163149.6 Ų149.685%0.85380%0.796SS**  trans-59.8103.2167.3-82.2150.7000106.6Q11 G15Q11-L13 PolarHBondContact O-N 2.96Å; L13-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.3Å
14S54.9Low72Confident124 Ų124150.3 Ų150.387%0.86780%0.802SS**  trans-60.795.9166.955.10000107.4T12T12-S14 PolarHBondContact O-N 3.16Å
15G64.8Low74.1Confident53 Ų53147.4 Ų147.455%0.54680%0.798SS.*  trans-175.877.9-167.800000111.4L13 D17L13-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 2.92Å
16F82.8Confident76.1Confident205 Ų205147.4 Ų147.490%0.89980%0.8SS**  trans-75.957.8162.6-59.6-75.4000109.3I18F16-I18 PolarHBondContact O-N 3.21Å
17D88.1Confident78.1Confident167 Ų167139.6 Ų139.689%0.89378%0.778SS**  trans-78.974.8179.1-170.817.4000109.5G15G15-D17 PolarHBondContact O-N 2.92Å
18I93.2Very high79.9Confident143 Ų143133.6 Ų133.673%0.73376%0.763SS**  trans-144.5138-179.5-170.5169.3000109.9F16F16-I18 PolarHBondContact O-N 3.21Å
19A93.4Very high81.7Confident88 Ų88132.4 Ų132.473%0.72775%0.749SS**  trans-136.8151.9173.300000110.2
20I96.1Very high83.2Confident158 Ų158133.6 Ų133.681%0.8175%0.752SS**  trans-112.5128.1172.4-61.4173.5000107.4
21V96.2Very high85Confident121 Ų121133.4 Ų133.473%0.73375%0.745SS**  trans-109.2122176.2-178.80000108.8
22M97.1Very high86.9Confident174 Ų174130 Ų13086%0.85775%0.752SS**  trans-91.1123.3170.9-66.1-177.568.400109.2
23L97Very high88.8Confident118 Ų118127 Ų12762%0.61873%0.73SS**  trans-73.5142173.1-57.7-179.8000109.6Q25 V27L23-Q25 WeakPolarHBondContact CB-O 3.19Å; L23-Q25 PolarHBondContact O-N 2.95Å; L23-V27 HydrophobicContact CD1-CG1 3.72Å
24A98.1Very high90.6Very high109 Ų109125.7 Ų125.790%0.90173%0.729SS**SBendtrans-63.4-22.9177.900000113
25Q97.4Very high92.5Very high164 Ų164124.9 Ų124.977%0.76672%0.718SS**SBendtrans-141.1151177.1-61.8-178.511.500110L23L23-Q25 WeakPolarHBondContact CB-O 3.19Å; L23-Q25 PolarHBondContact O-N 2.95Å
26M94.7Very high93.9Very high183 Ų183129.5 Ų129.590%0.90173%0.729SS**  trans-68.7143.7175.2-64.4-64.6-74.700110.8
27V94Very high94.5Very high70 Ų70124.6 Ų124.642%0.42472%0.72SS.*  trans-86.4149.8174.2-64.90000111.4L23 L29 I33L23-V27 HydrophobicContact CD1-CG1 3.72Å; V27-L29 HydrophobicContact CG2-CD2 3.76Å; V27-L29 PolarHBondContact O-N 2.83Å; V27-I33 HydrophobicContact CG2-CG2 4.24Å; V27-I33 HydrophobicContact CB-CD1 4.02Å; V27-I33 HydrophobicContact CG2-CD1 4.46Å
28N94.2Very high94.9Very high98 Ų98124 Ų12452%0.52472%0.716SS.*  trans-78.4112.7172.1-175.4-3.4000110.2Q30N28-Q30 VanDerWaalsContact C-N 3.3Å; N28-Q30 PolarHBondContact O-N 2.7Å; N28-Q30 VanDerWaalsContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.31Å; N28-Q30 VanDerWaalsContact OD1-CG 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.81Å; N28-Q30 PolarHBondContact OD1-N 3.22Å
29L94.8Very high95.1Very high95 Ų95121.7 Ų121.750%0.49771%0.71SS.*THydrogen-bonded Turntrans-82.91.5-179-59.3179.4000114.3V27 I33 V35V27-L29 HydrophobicContact CG2-CD2 3.76Å; V27-L29 PolarHBondContact O-N 2.83Å; L29-I33 HydrophobicContact CD2-CB 4.32Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; L29-V35 HydrophobicContact CD1-CG2 4.14Å; L29-V35 HydrophobicContact CD2-CG2 4.1Å
30Q92Very high95.3Very high176 Ų176123.8 Ų123.882%0.82271%0.705SS**THydrogen-bonded Turntrans-77.3-21.1-174.7-66.6174.1-9.800114.2N28N28-Q30 VanDerWaalsContact C-N 3.3Å; N28-Q30 PolarHBondContact O-N 2.7Å; N28-Q30 VanDerWaalsContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.31Å; N28-Q30 VanDerWaalsContact OD1-CG 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.81Å; N28-Q30 PolarHBondContact OD1-N 3.22Å
31S91.5Very high95.2Very high97 Ų97121.8 Ų121.868%0.67871%0.712SS**SBendtrans-146.8126.2-175.5165.20000111.2I33S31-I33 PolarHBondContact O-N 3.04Å
32G93.4Very high95.2Very high87 Ų87120.5 Ų120.590%0.89771%0.709SS**SBendtrans69.2-1.4170.200000116.2
33I95.1Very high95.1Very high74 Ų74116.6 Ų116.638%0.37969%0.691SS.*  trans-127.1130.6179.8-55.4178.2000108.8V27 L29 S31V27-I33 HydrophobicContact CG2-CG2 4.24Å; V27-I33 HydrophobicContact CB-CD1 4.02Å; V27-I33 HydrophobicContact CG2-CD1 4.46Å; L29-I33 HydrophobicContact CD2-CB 4.32Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; S31-I33 PolarHBondContact O-N 3.04Å
34T93.9Very high94.8Very high136 Ų136117.9 Ų117.983%0.83470%0.697SS**  trans-137.8150176.1-56.10000109.2
35V94Very high94.5Very high106 Ų106118 Ų11864%0.64269%0.689SS**PPolyproline II helixtrans-95137.4-179.4-178.60000109.5L29L29-V35 HydrophobicContact CD1-CG2 4.14Å; L29-V35 HydrophobicContact CD2-CG2 4.1Å
36I95.2Very high94.4Very high151 Ų151114.9 Ų114.977%0.77468%0.681SS**PPolyproline II helixtrans-85.7140.3169.5-168.6165.4000110.1
37S95.6Very high94.4Very high102 Ų102112.3 Ų112.371%0.71368%0.678SS**PPolyproline II helixtrans-73.5145.217655.50000111.4
38L97Very high94.5Very high153 Ų153113.1 Ų113.180%0.80170%0.701SS**PPolyproline II helixtrans-71.3141.5164.9-64.7176.6000109.8
39P96.1Very high94.5Very high95 Ų95112.4 Ų112.462%0.61770%0.7SS**PPolyproline II helixtrans-66.2157.7170.329.9-34.3000110.4D43P39-D43 HydrophobicContact CB-CB 4.05Å
40Q97.7Very high94.5Very high132 Ų132111.3 Ų111.362%0.61771%0.711SS**PPolyproline II helixtrans-67.8151.2164.6-59.6-58.1-5700109.4S42 D43Q40-S42 PolarHBondContact O-N 3.21Å; Q40-D43 PolarHBondContact N-OD2 2.94Å; Q40-D43 WeakPolarHBondContact O-CB 3.39Å; Q40-D43 PolarHBondContact O-N 3.43Å
41A94.4Very high94.6Very high116 Ų116108.3 Ų108.396%0.95971%0.705SS**THydrogen-bonded Turntrans-60.4-20.6178.100000113.3
42S96.1Very high94.8Very high94 Ų94113.2 Ų113.266%0.65771%0.714SS**THydrogen-bonded Turntrans-86.3-7.7176.254.10000114.5Q40 I44Q40-S42 PolarHBondContact O-N 3.21Å; S42-I44 PolarHBondContact O-N 3.38Å
43D94.5Very high94.8Very high92 Ų92116.9 Ų116.949%0.49271%0.712SS.*  trans-76.8107.6-175.8-65.8-18.8000109.9P39 Q40P39-D43 HydrophobicContact CB-CB 4.05Å; Q40-D43 PolarHBondContact N-OD2 2.94Å; Q40-D43 WeakPolarHBondContact O-CB 3.39Å; Q40-D43 PolarHBondContact O-N 3.43Å
44I92.3Very high94.7Very high145 Ų145120 Ų12074%0.74473%0.734SS**  trans-109.9121176.8-59.1174.4000108.3S42 T46S42-I44 PolarHBondContact O-N 3.38Å; I44-T46 PolarHBondContact O-N 2.91Å
45P91.7Very high94.6Very high112 Ų112116.8 Ų116.873%0.72773%0.728SS**PPolyproline II helixtrans-56.8130.7177.5-25.734.2000112.1
46T93.9Very high94.4Very high98 Ų98123.4 Ų123.460%0.60174%0.743SS**PPolyproline II helixtrans-79.9134.3175.1-58.50000110I44 G48 T49I44-T46 PolarHBondContact O-N 2.91Å; T46-G48 PolarHBondContact O-N 2.9Å; T46-T49 PolarHBondContact O-N 2.95Å; T46-T49 WeakPolarHBondContact O-CB 3.44Å; T46-T49 VanDerWaalsContact O-OG1 3.06Å; T46-T49 VanDerWaalsContact O-N 3.09Å; T46-T49 PolarHBondContact O-OG1 3.25Å
47P94.9Very high94Very high130 Ų130119.3 Ų119.384%0.84474%0.738SS**THydrogen-bonded Turntrans-55.4130175.8-26.835.3000112.2
48G95.8Very high93.4Very high87 Ų87125 Ų12590%0.89774%0.744SS**THydrogen-bonded Turntrans89.8-5.4-178.600000114.9T46 G50T46-G48 PolarHBondContact O-N 2.9Å; G48-G50 PolarHBondContact O-N 2.93Å
49T95Very high92.7Very high83 Ų83122 Ų12251%0.50973%0.728SS.*  trans-63.2127.6170.7-63.10000110.4T46T46-T49 PolarHBondContact O-N 2.95Å; T46-T49 WeakPolarHBondContact O-CB 3.44Å; T46-T49 VanDerWaalsContact O-OG1 3.06Å; T46-T49 VanDerWaalsContact O-N 3.09Å; T46-T49 PolarHBondContact O-OG1 3.25Å
50G94.7Very high91.9Very high71 Ų71122.5 Ų122.573%0.73273%0.726SS**  trans-67137.1172.900000111.2G48G48-G50 PolarHBondContact O-N 2.93Å
51V94.9Very high91Very high113 Ų113122.7 Ų122.769%0.68573%0.731SS**  trans-132.6158.4177.3-630000109.7
52F94.9Very high90.2Very high200 Ų200119 Ų11988%0.87770%0.695SS**  trans-105.6134.8174.4-62.1-82.2000109.8
53I92.7Very high89.1Confident164 Ų164125.4 Ų125.484%0.84171%0.705SS**  trans-119128.2168.3-60.2171.8000105.7
54V93.6Very high88.2Confident139 Ų139124.1 Ų124.184%0.84270%0.698SS**  trans-130146.1-178.5-620000109.8
55G92.3Very high87.1Confident69 Ų69122 Ų12271%0.71169%0.694SS**  trans170.4168.9178.500000111.3G57G55-G57 VanDerWaalsContact C-N 3.33Å
56Y88.9Confident86.2Confident246 Ų246120.6 Ų120.697%0.96569%0.686SS**SBendtrans-99.823.3173.8-61-76.6000112
57G86.9Confident84.9Confident64 Ų64124.4 Ų124.466%0.6669%0.69SS**SBendtrans-66.8174.9-179.500000112.5G55 D59G55-G57 VanDerWaalsContact C-N 3.33Å; G57-D59 PolarHBondContact O-N 3.38Å
58R83.2Confident83.3Confident223 Ų223124.7 Ų124.784%0.84268%0.678SS**  trans-54.8124.2175.9179.8175.8169.9165.4-3.1110.3D60R58-D60 PolarHBondContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD1 2.83Å; R58-D60 PolarHBondContact NE-OD1 3.29Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 IonicContact CZ-OD1 3.18Å
59D83.1Confident81.4Confident89 Ų89128.2 Ų128.248%0.47667%0.673SS.*  trans-109.5105.8169.8178.311.2000108.4G57 N61 D62G57-D59 PolarHBondContact O-N 3.38Å; D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 WeakPolarHBondContact OD1-CA 3.11Å; D59-N61 WeakPolarHBondContact OD1-CB 3.12Å; D59-N61 PolarHBondContact OD1-N 2.87Å; D59-D62 HydrophobicContact CB-CB 4.11Å; D59-D62 WeakPolarHBondContact O-CB 3.34Å; D59-D62 PolarHBondContact O-N 3.02Å
60D78.5Confident79.5Confident106 Ų106129.6 Ų129.657%0.56768%0.681SS**THydrogen-bonded Turntrans-65.3-18.8178-73.7-38.4000112.6R58 D62R58-D60 PolarHBondContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD1 2.83Å; R58-D60 PolarHBondContact NE-OD1 3.29Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 IonicContact CZ-OD1 3.18Å; D60-D62 VanDerWaalsContact C-N 3.32Å
61N78.9Confident77.4Confident135 Ų135135.4 Ų135.472%0.72269%0.689SS**THydrogen-bonded Turntrans-89.2-0.1173.4-58.2-62.1000112.7D59 R63D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 WeakPolarHBondContact OD1-CA 3.11Å; D59-N61 WeakPolarHBondContact OD1-CB 3.12Å; D59-N61 PolarHBondContact OD1-N 2.87Å; N61-R63 PolarHBondContact O-N 2.88Å
62D76.7Confident75Confident38 Ų38142.6 Ų142.620%0.20371%0.711CS.*  trans-56.6127.6174.2-162.1-19.5000108.2D59 D60 D64 R67 K68D59-D62 HydrophobicContact CB-CB 4.11Å; D59-D62 WeakPolarHBondContact O-CB 3.34Å; D59-D62 PolarHBondContact O-N 3.02Å; D60-D62 VanDerWaalsContact C-N 3.32Å; D62-D64 PolarHBondContact OD1-N 3.34Å; D62-D64 WeakPolarHBondContact OD1-CB 3.23Å; D62-R67 WeakPolarHBondContact OD2-CD 3.34Å; D62-R67 IonicContact OD2-NH1 3.84Å; D62-K68 WeakPolarHBondContact O-CE 3.38Å; D62-K68 PolarHBondContact O-NZ 3.05Å
63R74.4Confident74Confident230 Ų230139.8 Ų139.887%0.86870%0.703SS**  trans-90.9-8.4-178.2-65.5-176-179.3176.70.1111.6N61 P65N61-R63 PolarHBondContact O-N 2.88Å; R63-P65 WeakPolarHBondContact O-CD 3.32Å
64D74Confident73.1Confident65 Ų65138.5 Ų138.535%0.34870%0.696SS.*  trans-69.6111.2172.4-170.4-17.9000109.7D62 S66 R67D62-D64 PolarHBondContact OD1-N 3.34Å; D62-D64 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD2-OG 3.17Å; D64-S66 PolarHBondContact OD1-OG 3.34Å; D64-S66 WeakPolarHBondContact OD1-CB 3.24Å; D64-S66 VanDerWaalsContact OD1-CB 3.31Å; D64-S66 PolarHBondContact O-N 3.02Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 HydrophobicContact CB-CG 4.37Å; D64-R67 PolarHBondContact O-N 3.43Å
65P70.1Confident71.9Confident101 Ų101138.4 Ų138.466%0.65669%0.688SS**G310 helixtrans-62.8-27.9-179.7-1528.9000112.2R63 R67 K68R63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-R67 PolarHBondContact O-N 2.79Å; P65-K68 PolarHBondContact O-N 2.95Å
66S73.6Confident70.7Confident81 Ų81142.5 Ų142.557%0.56669%0.686SS**G310 helixtrans-67.9-21.9-178.172.60000112.9D64D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD2-OG 3.17Å; D64-S66 PolarHBondContact OD1-OG 3.34Å; D64-S66 WeakPolarHBondContact OD1-CB 3.24Å; D64-S66 VanDerWaalsContact OD1-CB 3.31Å; D64-S66 PolarHBondContact O-N 3.02Å
67R65.7Low69.6Low179 Ų179136.1 Ų136.168%0.67567%0.669SS**G310 helixtrans-92.4-10.5179.7-69.1-175169.3-158.2-1114.3D62 D64 P65 M69D62-R67 WeakPolarHBondContact OD2-CD 3.34Å; D62-R67 IonicContact OD2-NH1 3.84Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 HydrophobicContact CB-CG 4.37Å; D64-R67 PolarHBondContact O-N 3.43Å; P65-R67 PolarHBondContact O-N 2.79Å; R67-M69 VanDerWaalsContact C-N 3.34Å
68K61.8Low68.4Low136 Ų136140.9 Ų140.959%0.59167%0.67SS**SBendtrans-80.7-16.2174.7-64.3-167-179.8-1710113.4D62 P65D62-K68 WeakPolarHBondContact O-CE 3.38Å; D62-K68 PolarHBondContact O-NZ 3.05Å; P65-K68 PolarHBondContact O-N 2.95Å
69M54.8Low67.4Low161 Ų161135 Ų13579%0.79366%0.657SS**  trans-109.580-178.9-91.117455.300110.6R67R67-M69 VanDerWaalsContact C-N 3.34Å
70V55.9Low66.1Low111 Ų111138.5 Ų138.567%0.67367%0.671SS**  trans-133.281.1151.9-160.50000106.2F72V70-F72 HydrophobicContact CG1-CE2 4.4Å
71E50.1Low65.1Low193 Ų193141.3 Ų141.390%0.90268%0.68SS**  trans-86127.2162.7-72.2-173.4157.700107.3
72F45.4Very low63.9Low265 Ų265141.8 Ų141.8100%1.16268%0.676SS**  trans-85.70161.6-71.1-84000109.2V70V70-F72 HydrophobicContact CG1-CE2 4.4Å

Retrieved 72 of 72 residues in 34.1 ms (Link to these results)