A0A077ZMD5_TRITR Loading...

Short neurotoxin 1

AlphaFold DB , UniProt , Accession A0A077ZMD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 46 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
1M47.4Very low59.2Low231 Ų231135.5 Ų135.5100%1.13869%0.686SS**  090.60-167.3162.9-176.200106.4
2W55.9Low59.7Low260 Ų260133.1 Ų133.199%0.98567%0.67SS**  trans-84.6112.5173.2-87.8-63.2000106.6S4W2-S4 PolarHBondContact O-N 3.19Å
3I58.1Low60.2Low123 Ų123127.9 Ų127.963%0.63165%0.654SS**  trans-75.2115.8170.2-61171.1000105.2D7I3-D7 HydrophobicContact CG2-CB 3.6Å
4S57.3Low60.6Low84 Ų84126.5 Ų126.559%0.58765%0.648SS**  trans-59138.1178.6-61.10000109.5W2 E6 D7W2-S4 PolarHBondContact O-N 3.19Å; S4-E6 PolarHBondContact O-N 3.44Å; S4-D7 WeakPolarHBondContact O-CB 3.24Å; S4-D7 PolarHBondContact O-N 3.42Å
5T61.9Low60.9Low113 Ų113124.1 Ų124.169%0.69364%0.641SS**Hα-helixtrans-53.8-15.3-179.6-33.10000113.8D7T5-D7 VanDerWaalsContact C-N 3.31Å; T5-D7 PolarHBondContact O-N 2.84Å
6E60.8Low61.4Low158 Ų158125.8 Ų125.874%0.73864%0.642SS**Hα-helixtrans-67.9-25.6174.3-153.4167.298.800113.4S4 Q10S4-E6 PolarHBondContact O-N 3.44Å; E6-Q10 PolarHBondContact O-N 3.04Å
7D59.1Low61.6Low102 Ų102124.5 Ų124.555%0.54565%0.646SS.*Hα-helixtrans-74.7-36.3177.3-119.6-90.7000112I3 S4 T5 N9 Q10 A11I3-D7 HydrophobicContact CG2-CB 3.6Å; S4-D7 WeakPolarHBondContact O-CB 3.24Å; S4-D7 PolarHBondContact O-N 3.42Å; T5-D7 VanDerWaalsContact C-N 3.31Å; T5-D7 PolarHBondContact O-N 2.84Å; D7-N9 VanDerWaalsContact C-N 3.29Å; D7-N9 PolarHBondContact O-N 2.96Å; D7-Q10 PolarHBondContact O-N 3.45Å; D7-A11 PolarHBondContact O-N 3.36Å
8E59.7Low61.6Low131 Ų131122.7 Ų122.761%0.61264%0.641SS**Hα-helixtrans-63.5-37.1178.8-67.3-172.397.800111.6A11 E12E8-A11 PolarHBondContact O-N 3.48Å; E8-E12 PolarHBondContact O-N 3.23Å
9N62Low61.2Low117 Ų117118.9 Ų118.963%0.62664%0.636SS**Hα-helixtrans-73.4-31.3179.4-153.631.4000112.1D7 S13D7-N9 VanDerWaalsContact C-N 3.29Å; D7-N9 PolarHBondContact O-N 2.96Å; N9-S13 PolarHBondContact O-N 3.37Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å
10Q64Low61Low119 Ų119117.2 Ų117.256%0.55663%0.63SS**Hα-helixtrans-69.4-39.2171.5-69.9-15646.700111.8E6 D7 S13 L14E6-Q10 PolarHBondContact O-N 3.04Å; D7-Q10 PolarHBondContact O-N 3.45Å; Q10-S13 PolarHBondContact O-N 3.5Å; Q10-L14 WeakPolarHBondContact O-CB 3.34Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 2.71Å
11A64.9Low60.9Low53 Ų53116.6 Ų116.644%0.43863%0.626SS.*Hα-helixtrans-63.6-45.2175.100000112D7 E8 S13 L14 V15D7-A11 PolarHBondContact O-N 3.36Å; E8-A11 PolarHBondContact O-N 3.48Å; A11-S13 VanDerWaalsContact C-N 3.34Å; A11-S13 PolarHBondContact O-N 2.85Å; A11-L14 PolarHBondContact O-N 3.31Å; A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 2.64Å
12E65.7Low61.4Low106 Ų106115.5 Ų115.550%0.49562%0.615SS.*Hα-helixtrans-62.6-39.5174.9-89-151.775.900112.7E8 V15 K16E8-E12 PolarHBondContact O-N 3.23Å; E12-V15 PolarHBondContact O-N 2.85Å; E12-K16 PolarHBondContact O-N 3.04Å; E12-K16 IonicContact OE1-NZ 2.96Å; E12-K16 PolarHBondContact OE1-NZ 3.41Å; E12-K16 WeakPolarHBondContact O-CG 3.31Å
13S66.4Low61.3Low66 Ų66110.6 Ų110.646%0.46260%0.601SS.*Hα-helixtrans-66-39.9177-164.50000111.6N9 Q10 A11 K16 C17N9-S13 PolarHBondContact O-N 3.37Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; Q10-S13 PolarHBondContact O-N 3.5Å; A11-S13 VanDerWaalsContact C-N 3.34Å; A11-S13 PolarHBondContact O-N 2.85Å; S13-K16 PolarHBondContact O-N 3.02Å; S13-C17 VanDerWaalsContact O-CB 3.24Å; S13-C17 WeakPolarHBondContact O-CB 3.34Å; S13-C17 PolarHBondContact O-N 3Å; S13-C17 PolarHBondContact O-SG 2.91Å
14L65.4Low61.2Low108 Ų108110.8 Ų110.857%0.56560%0.599SS**Hα-helixtrans-64.4-40.9174.6-78.2165.2000112.3Q10 A11 C17 T18Q10-L14 WeakPolarHBondContact O-CB 3.34Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 2.71Å; A11-L14 PolarHBondContact O-N 3.31Å; L14-C17 PolarHBondContact O-N 3.31Å; L14-T18 WeakPolarHBondContact O-CB 3.34Å; L14-T18 PolarHBondContact O-OG1 2.99Å; L14-T18 PolarHBondContact O-N 2.98Å; L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 VanDerWaalsContact O-CB 3.31Å
15V65.2Low61.2Low90 Ų90112.1 Ų112.155%0.54561%0.609SS.*Hα-helixtrans-67.4-38.6177.4174.10000111.6A11 E12A11-V15 WeakPolarHBondContact O-CG2 3.33Å; A11-V15 PolarHBondContact O-N 2.64Å; E12-V15 PolarHBondContact O-N 2.85Å
16K68.7Low61Low151 Ų151109.4 Ų109.466%0.65760%0.603SS**Hα-helixtrans-69.2-41.2174.5-73.2170.9-173.7151.80112.2E12 S13E12-K16 PolarHBondContact O-N 3.04Å; E12-K16 IonicContact OE1-NZ 2.96Å; E12-K16 PolarHBondContact OE1-NZ 3.41Å; E12-K16 WeakPolarHBondContact O-CG 3.31Å; S13-K16 PolarHBondContact O-N 3.02Å
17C64.3Low60.8Low104 Ų104110.1 Ų110.170%0.70360%0.6SS**Hα-helixtrans-74.7-36.6-178.7-72.40000113.3S13 L14 G19S13-C17 VanDerWaalsContact O-CB 3.24Å; S13-C17 WeakPolarHBondContact O-CB 3.34Å; S13-C17 PolarHBondContact O-N 3Å; S13-C17 PolarHBondContact O-SG 2.91Å; L14-C17 PolarHBondContact O-N 3.31Å; C17-G19 PolarHBondContact O-N 3.36Å
18T62.1Low60.8Low92 Ų92111.7 Ų111.756%0.56460%0.602SS**THydrogen-bonded Turntrans-77.8-2.117854.70000112.9L14 T20L14-T18 WeakPolarHBondContact O-CB 3.34Å; L14-T18 PolarHBondContact O-OG1 2.99Å; L14-T18 PolarHBondContact O-N 2.98Å; L14-T18 WeakPolarHBondContact O-CG2 3.43Å; L14-T18 VanDerWaalsContact O-CB 3.31Å; T18-T20 PolarHBondContact O-N 3.38Å; T18-T20 PolarHBondContact OG1-OG1 2.65Å
19G54.3Low60.8Low52 Ų52115.3 Ų115.354%0.53661%0.61SS.*THydrogen-bonded Turntrans50.240.917000000111.6C17 D21C17-G19 PolarHBondContact O-N 3.36Å; G19-D21 PolarHBondContact O-N 2.92Å
20T56.6Low60.8Low84 Ų84111.8 Ų111.852%0.51560%0.602SS.*  trans-71.865.1168.79.50000107.5T18 K22T18-T20 PolarHBondContact O-N 3.38Å; T18-T20 PolarHBondContact OG1-OG1 2.65Å; T20-K22 PolarHBondContact O-N 3.16Å; T20-K22 VanDerWaalsContact O-N 3.16Å
21D58.4Low60.7Low105 Ų105110.8 Ų110.856%0.56160%0.599SS**  trans-47.2120.7160.2-149.7-102000104.5G19 K23G19-D21 PolarHBondContact O-N 2.92Å; D21-K23 WeakPolarHBondContact OD1-CG 3.49Å; D21-K23 WeakPolarHBondContact OD1-CE 3.15Å; D21-K23 PolarHBondContact O-N 3.48Å; D21-K23 WeakPolarHBondContact OD1-CD 3.19Å
22K57.9Low60.6Low208 Ų208114.7 Ų114.790%0.90461%0.608SS**THydrogen-bonded Turntrans-63.231.8176.3-73.4176.6173.7171.40112.6T20T20-K22 PolarHBondContact O-N 3.16Å; T20-K22 VanDerWaalsContact O-N 3.16Å
23K55.6Low60.5Low157 Ų157115.7 Ų115.768%0.68362%0.617SS**THydrogen-bonded Turntrans-88.65.2167.2-79.4-173.2-173.7176.90113.6D21 S25 G26D21-K23 WeakPolarHBondContact OD1-CG 3.49Å; D21-K23 WeakPolarHBondContact OD1-CE 3.15Å; D21-K23 PolarHBondContact O-N 3.48Å; D21-K23 WeakPolarHBondContact OD1-CD 3.19Å; K23-S25 VanDerWaalsContact O-N 3.12Å; K23-S25 PolarHBondContact O-N 3.26Å; K23-G26 PolarHBondContact O-N 3.03Å
24E56Low60.3Low126 Ų126118.6 Ų118.659%0.58962%0.623SS**Hα-helixtrans-61.5-18.4173.1-157.3-176.795.800113.2G26 Y27 K28E24-G26 PolarHBondContact O-N 3.27Å; E24-Y27 PolarHBondContact O-N 3.12Å; E24-K28 PolarHBondContact O-N 3.4Å; E24-K28 VanDerWaalsContact O-N 3.11Å
25S57.2Low60Low113 Ų113118.6 Ų118.679%0.7962%0.623SS**Hα-helixtrans-63.4-25.4171.5-79.40000113.9K23K23-S25 VanDerWaalsContact O-N 3.12Å; K23-S25 PolarHBondContact O-N 3.26Å
26G57.5Low59.7Low55 Ų55115.9 Ų115.957%0.56761%0.614SS**Hα-helixtrans-84.8-34.8173.700000113K23 E24K23-G26 PolarHBondContact O-N 3.03Å; E24-G26 PolarHBondContact O-N 3.27Å
27Y56.7Low59.4Low174 Ų174111.2 Ų111.268%0.68260%0.603SS**Hα-helixtrans-71.1-36-176.9-124.8-94.4000112.3E24 R29 G30 L31E24-Y27 PolarHBondContact O-N 3.12Å; Y27-R29 VanDerWaalsContact C-N 3.34Å; Y27-R29 PolarHBondContact O-N 2.98Å; Y27-G30 PolarHBondContact O-N 3.29Å; Y27-L31 HydrophobicContact CD1-CD1 4.25Å; Y27-L31 PolarHBondContact O-N 3.03Å; Y27-L31 WeakPolarHBondContact O-CB 3.34Å
28K58.3Low59.1Low135 Ų135109.9 Ų109.959%0.58759%0.592SS**Hα-helixtrans-61.4-40.2-179.4-146.6175.3-173.3178.70112.7E24 L31 E32E24-K28 PolarHBondContact O-N 3.4Å; E24-K28 VanDerWaalsContact O-N 3.11Å; K28-L31 PolarHBondContact O-N 3.11Å; K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.95Å
29R60.2Low58.9Low206 Ų206109.9 Ų109.978%0.77759%0.592SS**Hα-helixtrans-70.2-35179.1-151.9175-164-146.32.3112.8Y27 D33Y27-R29 VanDerWaalsContact C-N 3.34Å; Y27-R29 PolarHBondContact O-N 2.98Å; R29-D33 PolarHBondContact O-N 3.26Å
30G61Low59Low44 Ų44117.9 Ų117.945%0.45461%0.606SS.*Hα-helixtrans-72.5-35174.800000113Y27 H34Y27-G30 PolarHBondContact O-N 3.29Å; G30-H34 WeakPolarHBondContact O-CB 3.48Å; G30-H34 PolarHBondContact O-N 3.37Å
31L62.1Low59.1Low98 Ų98122.6 Ų122.651%0.51362%0.619SS.*Hα-helixtrans-71.3-39.3177.2-124153.9000111.8Y27 K28 H34 L35Y27-L31 HydrophobicContact CD1-CD1 4.25Å; Y27-L31 PolarHBondContact O-N 3.03Å; Y27-L31 WeakPolarHBondContact O-CB 3.34Å; K28-L31 PolarHBondContact O-N 3.11Å; L31-H34 PolarHBondContact O-N 3.47Å; L31-L35 PolarHBondContact O-N 2.81Å; L31-L35 VanDerWaalsContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CB 3.46Å
32E63.2Low58.9Low134 Ų134119.7 Ų119.763%0.62661%0.614SS**Hα-helixtrans-63.8-41.3174-72.4179126.900112.4K28 G36K28-E32 WeakPolarHBondContact O-CG 3.38Å; K28-E32 PolarHBondContact O-N 2.95Å; E32-G36 PolarHBondContact O-N 3.47Å
33D64.1Low58.7Low127 Ų127114.2 Ų114.268%0.67961%0.607SS**Hα-helixtrans-66.3-42.2176.1-166.3-99.5000111.6R29 G36 A37R29-D33 PolarHBondContact O-N 3.26Å; D33-G36 PolarHBondContact O-N 3.05Å; D33-A37 WeakPolarHBondContact O-CB 3.21Å; D33-A37 PolarHBondContact O-N 2.89Å
34H62Low58.5Low128 Ų128118 Ų11859%0.59362%0.617SS**Hα-helixtrans-69.2-41.6177.5-156.968.7000112.3G30 L31 G36 A37 V38G30-H34 WeakPolarHBondContact O-CB 3.48Å; G30-H34 PolarHBondContact O-N 3.37Å; L31-H34 PolarHBondContact O-N 3.47Å; H34-G36 VanDerWaalsContact C-N 3.34Å; H34-G36 PolarHBondContact O-N 3.2Å; H34-A37 PolarHBondContact O-N 3.47Å; H34-V38 WeakPolarHBondContact O-CG2 3.25Å; H34-V38 PolarHBondContact O-N 2.8Å
35L58.6Low58Low107 Ų107117.1 Ų117.156%0.5662%0.624SS**Hα-helixtrans-66.1-37.6177-145.578.8000111L31 A37 V38 T39L31-L35 PolarHBondContact O-N 2.81Å; L31-L35 VanDerWaalsContact O-CB 3.25Å; L31-L35 WeakPolarHBondContact O-CB 3.46Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 2.98Å; L35-V38 PolarHBondContact O-N 3.15Å; L35-T39 VanDerWaalsContact O-CB 3.29Å; L35-T39 WeakPolarHBondContact O-CB 3.29Å; L35-T39 PolarHBondContact O-N 2.95Å; L35-T39 PolarHBondContact O-OG1 3.42Å
36G60.1Low57.4Low34 Ų34123.4 Ų123.435%0.35165%0.647SS.*Hα-helixtrans-65.9-30.1173.300000114.1E32 D33 H34E32-G36 PolarHBondContact O-N 3.47Å; D33-G36 PolarHBondContact O-N 3.05Å; H34-G36 VanDerWaalsContact C-N 3.34Å; H34-G36 PolarHBondContact O-N 3.2Å
37A60.6Low57.4Low52 Ų52126.8 Ų126.843%0.4365%0.651SS.*Hα-helixtrans-78.4-41174.700000112.6D33 H34 L35D33-A37 WeakPolarHBondContact O-CB 3.21Å; D33-A37 PolarHBondContact O-N 2.89Å; H34-A37 PolarHBondContact O-N 3.47Å; L35-A37 VanDerWaalsContact C-N 3.32Å; L35-A37 PolarHBondContact O-N 2.98Å
38V59.3Low57.5Low76 Ų76124.3 Ų124.346%0.46165%0.65SS.*Hα-helixtrans-73.3-34.2-179.5-178.70000111.1H34 L35 R40 K41 G42H34-V38 WeakPolarHBondContact O-CG2 3.25Å; H34-V38 PolarHBondContact O-N 2.8Å; L35-V38 PolarHBondContact O-N 3.15Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 3.3Å; V38-K41 PolarHBondContact O-N 3.46Å; V38-K41 VanDerWaalsContact O-N 3.15Å; V38-G42 PolarHBondContact O-N 2.65Å
39T58.1Low57.4Low93 Ų93123.7 Ų123.757%0.57165%0.653SS**Hα-helixtrans-66-27.4178.2-53.90000112.8L35L35-T39 VanDerWaalsContact O-CB 3.29Å; L35-T39 WeakPolarHBondContact O-CB 3.29Å; L35-T39 PolarHBondContact O-N 2.95Å; L35-T39 PolarHBondContact O-OG1 3.42Å
40R56.7Low57.3Low220 Ų220118.9 Ų118.983%0.8365%0.646SS**Hα-helixtrans-82-18.1174.6-76.9-169.4-83.4-162.8-3.1114.6V38V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 3.3Å
41K58.5Low57Low183 Ų183123.6 Ų123.680%0.79666%0.658SS**Hα-helixtrans-100.8-21.3173.6-81.8-175174.8179.80113.7V38V38-K41 PolarHBondContact O-N 3.46Å; V38-K41 VanDerWaalsContact O-N 3.15Å
42G53.3Low56.7Low44 Ų44125.3 Ų125.345%0.45467%0.667SS.*Hα-helixtrans-85.8-16.9-177.400000115.9V38 R44 C45V38-G42 PolarHBondContact O-N 2.65Å; G42-R44 PolarHBondContact O-N 3.08Å; G42-R44 VanDerWaalsContact O-N 3.08Å; G42-C45 PolarHBondContact O-N 3.44Å
43A53.7Low56.2Low92 Ų92124.6 Ų124.676%0.7667%0.67SS**THydrogen-bonded Turntrans-74.59.2176.900000114.3
44R52.2Low55.6Low237 Ų237124.5 Ų124.589%0.89467%0.67SS**THydrogen-bonded Turntrans-110.511.4176.9-122-177.3-168-158.52.9113.8G42G42-R44 PolarHBondContact O-N 3.08Å; G42-R44 VanDerWaalsContact O-N 3.08Å
45C45.1Very low55.1Low108 Ų108124.2 Ų124.273%0.7368%0.676SS**  trans-127.452.4178.2-67.60000111.6G42G42-C45 PolarHBondContact O-N 3.44Å
46L44.8Very low54.8Low244 Ų244125.7 Ų125.7100%1.27769%0.687SS**  trans-152.10149-86-178.3000107.9

Retrieved 46 of 46 residues in 55.3 ms (Link to these results)