A0A077Z3A1_TRITR Loading...

DUF4604 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M42.6Very low64.8Low212 Ų212168.6 Ų168.6100%1.04481%0.81SS**  0111.80-88.4155.2168.900108.5
2S50Low66.6Low108 Ų108164.4 Ų164.476%0.75580%0.802SS**  trans-91.6113.2-178.6-175.10000110R4S2-R4 PolarHBondContact O-N 3.32Å
3Y53.8Low68.1Low213 Ų213163.6 Ų163.684%0.83579%0.792SS**  trans-84.637.1-177.7-64.6-79000113.8
4R58.4Low69.7Low218 Ų218158.5 Ų158.582%0.82378%0.778SS**  trans-117.34-170-87.9-162.2-89.7156.9-9.6118.1S2S2-R4 PolarHBondContact O-N 3.32Å
5N59.6Low71.1Confident142 Ų142160.4 Ų160.476%0.75978%0.784SS**  trans-124.9146.5175.6-7413.7000110.7
6N60.7Low72.3Confident142 Ų142156.4 Ų156.476%0.75976%0.763SS**  trans114.823.4165.1-50.5-8.1000116.7
7R67Low73.6Confident231 Ų231151.7 Ų151.787%0.87275%0.748SS**  trans-122.679.4157.7-67174.2-167.7-145.70.8107.1V9R7-V9 HydrophobicContact CB-CG2 4.02Å; R7-V9 PolarHBondContact O-N 2.74Å
8N73.5Confident74.8Confident154 Ų154151.1 Ų151.182%0.82474%0.74SS**  trans-65.955.8166.7-65.879000109.6T10N8-T10 PolarHBondContact O-N 3.19Å
9V77.9Confident75.8Confident122 Ų122150.6 Ų150.674%0.73973%0.734SS**  trans-83.8105176.6176.70000105.9R7R7-V9 HydrophobicContact CB-CG2 4.02Å; R7-V9 PolarHBondContact O-N 2.74Å
10T84.4Confident76.8Confident123 Ų123146.9 Ų146.976%0.75572%0.717SS**PPolyproline II helixtrans-87.8133.8167.552.40000108.1N8N8-T10 PolarHBondContact O-N 3.19Å
11Y84.8Confident77.5Confident190 Ų190146.4 Ų146.475%0.74571%0.708SS**PPolyproline II helixtrans-102.9118.7171.6174.2-109.1000108.4K13Y11-K13 HydrophobicContact CE1-CB 4.06Å
12V86.9Confident80.1Confident118 Ų118139.4 Ų139.472%0.71567%0.673SS**PPolyproline II helixtrans-103118.3170.7-178.10000106.9P14V12-P14 WeakPolarHBondContact O-CD 3.07Å
13K85.5Confident82.3Confident154 Ų154137.2 Ų137.267%0.6765%0.652SS**PPolyproline II helixtrans-67.8118.4177.1-172.5178.8179.8-175.60108.3Y11Y11-K13 HydrophobicContact CE1-CB 4.06Å
14P90.7Very high84.2Confident92 Ų92129.9 Ų129.960%0.59762%0.624SS**PPolyproline II helixtrans-68.3160.5178.429.4-34.7000110.9V12V12-P14 WeakPolarHBondContact O-CD 3.07Å
15E91.2Very high85.9Confident187 Ų187125.9 Ų125.987%0.87462%0.615SS**PPolyproline II helixtrans-59.3146.8170.2-67-171.3167.300111.1
16E90.6Very high87.6Confident96 Ų96128.4 Ų128.445%0.44961%0.614SS.*PPolyproline II helixtrans-67.9129.6179-63-165.7161.700110.3K24E16-K24 IonicContact OE1-NZ 3.99Å; E16-K24 PolarHBondContact OE1-NZ 2.75Å; E16-K24 IonicContact OE2-NZ 3.3Å; E16-K24 PolarHBondContact OE2-NZ 2.72Å
17P94.5Very high89.2Confident77 Ų77127.2 Ų127.250%0.561%0.606SS.*PPolyproline II helixtrans-63.5148.5179.826.5-35.2000111.4F19 L20 R21P17-F19 PolarHBondContact O-N 3.45Å; P17-F19 VanDerWaalsContact O-N 3.07Å; P17-L20 HydrophobicContact CG-CB 4.26Å; P17-L20 HydrophobicContact CG-CD1 3.79Å; P17-L20 HydrophobicContact CG-CG 3.96Å; P17-L20 PolarHBondContact O-N 3.34Å; P17-R21 PolarHBondContact O-N 3.3Å
18K94.5Very high90.5Very high140 Ų140118.5 Ų118.561%0.60959%0.588SS**Hα-helixtrans-47.4-42.3-177.5-174.6-179.3177.9-171.90113.5R21 E22K18-R21 PolarHBondContact O-N 2.99Å; K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 IonicContact NZ-OE1 3.66Å; K18-E22 WeakPolarHBondContact O-CG 3.32Å; K18-E22 PolarHBondContact O-N 3.1Å
19F94.6Very high91.4Very high143 Ų143116.5 Ų116.563%0.62757%0.57SS**Hα-helixtrans-59.3-45.9178.9170.6-105.9000113.4P17 R21 E22 I23P17-F19 PolarHBondContact O-N 3.45Å; P17-F19 VanDerWaalsContact O-N 3.07Å; F19-R21 VanDerWaalsContact C-N 3.34Å; F19-E22 PolarHBondContact O-N 3.07Å; F19-I23 HydrophobicContact CD1-CD1 4.09Å; F19-I23 HydrophobicContact CD2-CD1 3.98Å; F19-I23 HydrophobicContact CE1-CD1 3.5Å; F19-I23 VanDerWaalsContact CE1-CD1 3.5Å; F19-I23 HydrophobicContact CE2-CD1 3.39Å; F19-I23 HydrophobicContact CE2-CG1 4.27Å; F19-I23 HydrophobicContact CG-CD1 4.32Å; F19-I23 HydrophobicContact CZ-CD1 3.13Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.46Å; F19-I23 PolarHBondContact O-N 3.02Å; F19-I23 VanDerWaalsContact O-N 3.1Å
20L94.1Very high91.9Very high76 Ų76118.4 Ų118.440%0.39857%0.571SS.*Hα-helixtrans-68.1-38179.6-73.1-179.4000111.3P17 I23 K24P17-L20 HydrophobicContact CG-CB 4.26Å; P17-L20 HydrophobicContact CG-CD1 3.79Å; P17-L20 HydrophobicContact CG-CG 3.96Å; P17-L20 PolarHBondContact O-N 3.34Å; L20-I23 PolarHBondContact O-N 3.29Å; L20-K24 WeakPolarHBondContact O-CB 3.36Å; L20-K24 VanDerWaalsContact O-CG 3.26Å; L20-K24 WeakPolarHBondContact O-CG 3.21Å; L20-K24 PolarHBondContact O-N 3.38Å
21R93.1Very high91.9Very high136 Ų136116.2 Ų116.251%0.51357%0.565SS.*Hα-helixtrans-59.7-50.1175.5-177.9175.861.11720.4111.3P17 K18 F19 I23 K24 E25P17-R21 PolarHBondContact O-N 3.3Å; K18-R21 PolarHBondContact O-N 2.99Å; F19-R21 VanDerWaalsContact C-N 3.34Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.93Å; R21-K24 PolarHBondContact O-N 2.97Å; R21-E25 VanDerWaalsContact CG-OE1 3.27Å; R21-E25 WeakPolarHBondContact CG-OE1 3.49Å; R21-E25 WeakPolarHBondContact O-CB 3.27Å; R21-E25 VanDerWaalsContact O-CG 3.32Å; R21-E25 WeakPolarHBondContact O-CG 3.49Å; R21-E25 PolarHBondContact O-N 3.26Å
22E96Very high91.9Very high66 Ų66111.4 Ų111.431%0.30856%0.557SS.*Hα-helixtrans-61.1-39.1178.4-72.8-178.3-159.500112.9K18 F19 R26K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 IonicContact NZ-OE1 3.66Å; K18-E22 WeakPolarHBondContact O-CG 3.32Å; K18-E22 PolarHBondContact O-N 3.1Å; F19-E22 PolarHBondContact O-N 3.07Å; E22-R26 WeakPolarHBondContact O-CB 3.39Å; E22-R26 WeakPolarHBondContact O-CG 3.49Å; E22-R26 PolarHBondContact O-N 3.06Å; E22-R26 IonicContact OE2-NH2 3.62Å; E22-R26 PolarHBondContact OE2-NH2 3.39Å
23I96.4Very high91.9Very high62 Ų62110.4 Ų110.432%0.31855%0.553SS.*Hα-helixtrans-66.6-47.6177.1-73.2175.1000111F19 L20 R21 E25 R26 I27F19-I23 HydrophobicContact CD1-CD1 4.09Å; F19-I23 HydrophobicContact CD2-CD1 3.98Å; F19-I23 HydrophobicContact CE1-CD1 3.5Å; F19-I23 VanDerWaalsContact CE1-CD1 3.5Å; F19-I23 HydrophobicContact CE2-CD1 3.39Å; F19-I23 HydrophobicContact CE2-CG1 4.27Å; F19-I23 HydrophobicContact CG-CD1 4.32Å; F19-I23 HydrophobicContact CZ-CD1 3.13Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.46Å; F19-I23 PolarHBondContact O-N 3.02Å; F19-I23 VanDerWaalsContact O-N 3.1Å; L20-I23 PolarHBondContact O-N 3.29Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.93Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.37Å; I23-R26 PolarHBondContact O-N 3.45Å; I23-I27 HydrophobicContact CG2-CD1 4.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.18Å
24K94.9Very high91.9Very high59 Ų59107.5 Ų107.526%0.25755%0.545SS..Hα-helixtrans-58.8-42.3179.4-76.2178.7176.9-176.40111.5E16 L20 R21 G28 Y29E16-K24 IonicContact OE1-NZ 3.99Å; E16-K24 PolarHBondContact OE1-NZ 2.75Å; E16-K24 IonicContact OE2-NZ 3.3Å; E16-K24 PolarHBondContact OE2-NZ 2.72Å; L20-K24 WeakPolarHBondContact O-CB 3.36Å; L20-K24 VanDerWaalsContact O-CG 3.26Å; L20-K24 WeakPolarHBondContact O-CG 3.21Å; L20-K24 PolarHBondContact O-N 3.38Å; R21-K24 PolarHBondContact O-N 2.97Å; K24-G28 PolarHBondContact O-N 3.49Å; K24-Y29 HydrophobicContact CD-CD1 3.95Å; K24-Y29 HydrophobicContact CG-CD1 3.92Å; K24-Y29 HydrophobicContact CG-CG 4.09Å; K24-Y29 PolarHBondContact O-N 3.02Å
25E93.2Very high91.5Very high134 Ų134107.8 Ų107.863%0.62655%0.545SS*.Hα-helixtrans-62.8-45.2175.9-73.5170.6-172.800111.7R21 I23 I27 G28R21-E25 VanDerWaalsContact CG-OE1 3.27Å; R21-E25 WeakPolarHBondContact CG-OE1 3.49Å; R21-E25 WeakPolarHBondContact O-CB 3.27Å; R21-E25 VanDerWaalsContact O-CG 3.32Å; R21-E25 WeakPolarHBondContact O-CG 3.49Å; R21-E25 PolarHBondContact O-N 3.26Å; I23-E25 VanDerWaalsContact C-N 3.28Å; I23-E25 PolarHBondContact O-N 3.37Å; E25-I27 PolarHBondContact O-N 3.34Å; E25-G28 PolarHBondContact O-N 3.02Å
26R95.3Very high91.1Very high195 Ų195103 Ų10374%0.73653%0.525SS*.Hα-helixtrans-65-36.7179.9-72.5172.9-165.3-172.99.7113.7E22 I23E22-R26 WeakPolarHBondContact O-CB 3.39Å; E22-R26 WeakPolarHBondContact O-CG 3.49Å; E22-R26 PolarHBondContact O-N 3.06Å; E22-R26 IonicContact OE2-NH2 3.62Å; E22-R26 PolarHBondContact OE2-NH2 3.39Å; I23-R26 PolarHBondContact O-N 3.45Å
27I94.8Very high90.7Very high117 Ų117101.9 Ų101.960%0.653%0.525SS*.Hα-helixtrans-91.4-4-179.472.5-177.4000113.1I23 E25 Y29I23-I27 HydrophobicContact CG2-CD1 4.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.26Å; I23-I27 PolarHBondContact O-N 3.18Å; E25-I27 PolarHBondContact O-N 3.34Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 HydrophobicContact CD1-CD2 4.49Å; I27-Y29 PolarHBondContact O-N 3.24Å
28G94Very high89.9Confident48 Ų48106.5 Ų106.550%0.49554%0.537SS..THydrogen-bonded Turntrans63.336.6-17400000113K24 E25 Q30K24-G28 PolarHBondContact O-N 3.49Å; E25-G28 PolarHBondContact O-N 3.02Å; G28-Q30 PolarHBondContact O-N 2.88Å
29Y92.5Very high89.4Confident111 Ų111109.1 Ų109.144%0.43554%0.543SS..PPolyproline II helixtrans-61.6122.8-176.6-179.7-98.1000111.5K24 I27 P32K24-Y29 HydrophobicContact CD-CD1 3.95Å; K24-Y29 HydrophobicContact CG-CD1 3.92Å; K24-Y29 HydrophobicContact CG-CG 4.09Å; K24-Y29 PolarHBondContact O-N 3.02Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 HydrophobicContact CD1-CD2 4.49Å; I27-Y29 PolarHBondContact O-N 3.24Å; Y29-P32 WeakPolarHBondContact OH-CD 3.39Å
30Q88.4Confident88.5Confident162 Ų162106.8 Ų106.876%0.75754%0.541SS*.PPolyproline II helixtrans-101.4132.2169.6-62.7-61.4-24.600109.3G28G28-Q30 PolarHBondContact O-N 2.88Å
31A84.9Confident87.4Confident77 Ų77113.6 Ų113.664%0.63656%0.563SS**PPolyproline II helixtrans-61.7142176.100000109.9
32P84.5Confident86.4Confident90 Ų90112.5 Ų112.558%0.58457%0.573SS**PPolyproline II helixtrans-60.1152.1178.726.6-35.2000110.7Y29 D34Y29-P32 WeakPolarHBondContact OH-CD 3.39Å; P32-D34 PolarHBondContact O-N 3.25Å
33P85.2Confident85.1Confident97 Ų97117.2 Ų117.263%0.6360%0.599SS**PPolyproline II helixtrans-59.3126.5176.824.9-33.4000109.8T37P33-T37 HydrophobicContact CB-CG2 3.77Å
34D85.5Confident83.8Confident93 Ų93123 Ų12350%0.49762%0.624SS.*PPolyproline II helixtrans-83.5173175-171.425.8000110P32 N36 T37P32-D34 PolarHBondContact O-N 3.25Å; D34-N36 PolarHBondContact O-N 3.38Å; D34-N36 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact N-OG1 3.05Å; D34-T37 VanDerWaalsContact O-CB 3.3Å; D34-T37 WeakPolarHBondContact O-CB 3.33Å; D34-T37 PolarHBondContact O-N 2.94Å; D34-T37 PolarHBondContact O-OG1 2.95Å
35V82.7Confident82.4Confident98 Ų98124.6 Ų124.659%0.59464%0.643SS**THydrogen-bonded Turntrans-56.2-32.4176.3-165.40000111.3K38V35-K38 PolarHBondContact O-N 2.92Å
36N83.7Confident81.1Confident87 Ų87121.7 Ų121.747%0.46564%0.638SS.*THydrogen-bonded Turntrans-72.9-27.8176-65.6-51.3000113.5D34 K38 R39D34-N36 PolarHBondContact O-N 3.38Å; D34-N36 VanDerWaalsContact O-N 3.15Å; N36-K38 PolarHBondContact O-N 2.85Å; N36-R39 WeakPolarHBondContact O-CB 3.3Å; N36-R39 PolarHBondContact O-N 3.26Å; N36-R39 PolarHBondContact OD1-NH1 3.44Å
37T81Confident79.7Confident71 Ų71119.3 Ų119.344%0.43664%0.64SS.*G310 helixtrans-64-25.6174.7-46.90000111.3P33 D34 R39 T40P33-T37 HydrophobicContact CB-CG2 3.77Å; D34-T37 PolarHBondContact N-OG1 3.05Å; D34-T37 VanDerWaalsContact O-CB 3.3Å; D34-T37 WeakPolarHBondContact O-CB 3.33Å; D34-T37 PolarHBondContact O-N 2.94Å; D34-T37 PolarHBondContact O-OG1 2.95Å; T37-R39 PolarHBondContact O-N 3.15Å; T37-T40 PolarHBondContact O-OG1 3.43Å
38K79.3Confident78.4Confident174 Ų174119.2 Ų119.276%0.75764%0.64SS**G310 helixtrans-75.3-14.1173.5-57.2-177.9-179.3-178.50113.6V35 N36V35-K38 PolarHBondContact O-N 2.92Å; N36-K38 PolarHBondContact O-N 2.85Å
39R82.6Confident77Confident196 Ų196120.5 Ų120.574%0.7465%0.646SS**G310 helixtrans-88.1-12.1179-64.8-179.4157.4144.7-6.8112.7N36 T37N36-R39 WeakPolarHBondContact O-CB 3.3Å; N36-R39 PolarHBondContact O-N 3.26Å; N36-R39 PolarHBondContact OD1-NH1 3.44Å; T37-R39 PolarHBondContact O-N 3.15Å
40T77.2Confident75.9Confident94 Ų94122.4 Ų122.458%0.57766%0.664SS**SBendtrans-69.9160.5173.161.20000109.9T37T37-T40 PolarHBondContact O-OG1 3.43Å
41Y71.1Confident75.3Confident218 Ų218119.7 Ų119.786%0.85565%0.654SS**PPolyproline II helixtrans-49.5150176-75.9-85.9000111.5I43Y41-I43 PolarHBondContact O-N 2.61Å
42P71.8Confident74.8Confident114 Ų114122.7 Ų122.774%0.7466%0.655SS**PPolyproline II helixtrans-47.1135.7169.7-21.831000109E44P42-E44 PolarHBondContact O-N 2.87Å
43I68.5Low74.6Confident164 Ų164124.9 Ų124.984%0.84165%0.651SS**PPolyproline II helixtrans-51.1127.8164.8-58.5162.7000104.9Y41 S45Y41-I43 PolarHBondContact O-N 2.61Å; I43-S45 PolarHBondContact O-N 3.19Å
44E69.1Low74.3Confident183 Ų183126.7 Ų126.786%0.85566%0.661SS**  trans-46113.1170.8-76.7174.5178.100106P42 S46P42-E44 PolarHBondContact O-N 2.87Å; E44-S46 PolarHBondContact O-N 3.32Å
45S65.5Low74.2Confident94 Ų94127.7 Ų127.766%0.65767%0.666SS**  trans-54117176.8450000105.2I43 D47I43-S45 PolarHBondContact O-N 3.19Å; S45-D47 PolarHBondContact O-N 3.12Å; S45-D47 VanDerWaalsContact O-N 3.17Å
46S66.3Low74.4Confident72 Ų72128.8 Ų128.850%0.50367%0.665SS.*  trans-54.1127.2173.152.40000107E44 D48 A49E44-S46 PolarHBondContact O-N 3.32Å; S46-D48 PolarHBondContact O-N 2.88Å; S46-A49 WeakPolarHBondContact O-CB 3.04Å; S46-A49 PolarHBondContact O-N 2.74Å
47D66Low74.4Confident145 Ų145127.1 Ų127.178%0.77566%0.663SS**G310 helixtrans-53.3-16.8175.8-65-26.8000111.9S45 A49 D50S45-D47 PolarHBondContact O-N 3.12Å; S45-D47 VanDerWaalsContact O-N 3.17Å; D47-A49 PolarHBondContact O-N 3.18Å; D47-D50 PolarHBondContact O-N 2.91Å
48D65.7Low74.6Confident115 Ų115127.9 Ų127.962%0.61567%0.669SS**G310 helixtrans-61.2-15.2171.6-60.2-36.6000114.8S46 D50 I51S46-D48 PolarHBondContact O-N 2.88Å; D48-D50 PolarHBondContact O-N 3.17Å; D48-I51 HydrophobicContact CB-CD1 4.25Å; D48-I51 PolarHBondContact O-N 2.93Å
49A65.8Low75Confident75 Ų75125.7 Ų125.762%0.6267%0.67SS**G310 helixtrans-66.5-25.418000000113.2S46 D47S46-A49 WeakPolarHBondContact O-CB 3.04Å; S46-A49 PolarHBondContact O-N 2.74Å; D47-A49 PolarHBondContact O-N 3.18Å
50D69.9Low75.2Confident151 Ų151119.5 Ų119.581%0.80765%0.654SS**G310 helixtrans-95.22-177.9-63.6-25.2000112.8D47 D48 E52D47-D50 PolarHBondContact O-N 2.91Å; D48-D50 PolarHBondContact O-N 3.17Å; D50-E52 PolarHBondContact O-N 3.37Å; D50-E52 VanDerWaalsContact O-N 3.17Å
51I74.2Confident75.8Confident105 Ų105119.8 Ų119.854%0.53866%0.655SS.*SBendtrans-77.1105.8177-57.8176.6000108.7D48 R53D48-I51 HydrophobicContact CB-CD1 4.25Å; D48-I51 PolarHBondContact O-N 2.93Å; I51-R53 PolarHBondContact O-N 3.36Å
52E74.3Confident76.6Confident141 Ų141113 Ų11366%0.65964%0.64SS**  trans-53.9115.9172.6-79.3-157.417900109.9D50 R77D50-E52 PolarHBondContact O-N 3.37Å; D50-E52 VanDerWaalsContact O-N 3.17Å; E52-R77 IonicContact OE1-NH2 3.62Å; E52-R77 IonicContact OE2-NH2 3.8Å
53R81Confident77.3Confident136 Ų136114.7 Ų114.751%0.51364%0.642SS.*  trans-80.6136.3179.7-49.9-170.4-68.1144.83.8109.5I51 D55 E56I51-R53 PolarHBondContact O-N 3.36Å; R53-D55 WeakPolarHBondContact CB-OD1 3.45Å; R53-D55 IonicContact CZ-OD2 3.53Å; R53-D55 IonicContact NH1-OD2 2.61Å; R53-D55 IonicContact NH2-OD2 3.05Å; R53-D55 PolarHBondContact O-N 3.48Å; R53-D55 VanDerWaalsContact O-N 3.12Å; R53-E56 HydrophobicContact CB-CG 4.27Å; R53-E56 IonicContact CZ-OE1 2.75Å; R53-E56 IonicContact NE-OE1 2.74Å; R53-E56 PolarHBondContact NE-OE1 3.17Å; R53-E56 IonicContact NH2-OE1 2.72Å; R53-E56 PolarHBondContact NH2-OE1 2.97Å; R53-E56 WeakPolarHBondContact O-CB 3.49Å; R53-E56 PolarHBondContact O-N 3.04Å
54T79.8Confident78.3Confident135 Ų135114.2 Ų114.283%0.82863%0.634SS**G310 helixtrans-62.2-24.3-175.8570000113.7E56 A57T54-E56 VanDerWaalsContact C-N 3.28Å; T54-A57 WeakPolarHBondContact O-CB 3.48Å; T54-A57 PolarHBondContact O-N 3.49Å
55D83.2Confident79.1Confident113 Ų113112.1 Ų112.160%0.60464%0.636SS**G310 helixtrans-73.2-18.1174.757.4-54.6000113.5R53R53-D55 WeakPolarHBondContact CB-OD1 3.45Å; R53-D55 IonicContact CZ-OD2 3.53Å; R53-D55 IonicContact NH1-OD2 2.61Å; R53-D55 IonicContact NH2-OD2 3.05Å; R53-D55 PolarHBondContact O-N 3.48Å; R53-D55 VanDerWaalsContact O-N 3.12Å
56E85.5Confident80.2Confident122 Ų122111.4 Ų111.457%0.5764%0.644SS**G310 helixtrans-92.9-4.7177-61.6-177.2-168.600112.9R53 T54R53-E56 HydrophobicContact CB-CG 4.27Å; R53-E56 IonicContact CZ-OE1 2.75Å; R53-E56 IonicContact NE-OE1 2.74Å; R53-E56 PolarHBondContact NE-OE1 3.17Å; R53-E56 IonicContact NH2-OE1 2.72Å; R53-E56 PolarHBondContact NH2-OE1 2.97Å; R53-E56 WeakPolarHBondContact O-CB 3.49Å; R53-E56 PolarHBondContact O-N 3.04Å; T54-E56 VanDerWaalsContact C-N 3.28Å
57A83.9Confident81.3Confident52 Ų52111.4 Ų111.443%0.4364%0.638SS.*SBendtrans-64.7140.8-177.700000111.9T54T54-A57 WeakPolarHBondContact O-CB 3.48Å; T54-A57 PolarHBondContact O-N 3.49Å
58P85.6Confident82.2Confident87 Ų87109 Ų10957%0.56562%0.624SS**PPolyproline II helixtrans-65.6139.9-178.626.1-34.1000111.7V60P58-V60 PolarHBondContact O-N 3.46Å
59T87.8Confident83.2Confident127 Ų127106.6 Ų106.678%0.77961%0.614SS**PPolyproline II helixtrans-75.8123.1172.7-59.30000110V61T59-V61 HydrophobicContact CG2-CG2 4.11Å
60V86.4Confident84.2Confident67 Ų67105.4 Ų105.441%0.40660%0.604SS.*PPolyproline II helixtrans-94.1122.7177.2-177.90000109.4P58 A70 A73P58-V60 PolarHBondContact O-N 3.46Å; V60-A70 HydrophobicContact CB-CB 4.22Å; V60-A73 HydrophobicContact CG1-CB 4.34Å; V60-A73 HydrophobicContact CG2-CB 4.21Å
61V89.5Confident85Confident99 Ų99106 Ų10660%0.660%0.602SS**  trans-122.3125.2178.4-177.70000108.8T59 L63T59-V61 HydrophobicContact CG2-CG2 4.11Å; V61-L63 HydrophobicContact CG1-CD2 3.87Å; V61-L63 HydrophobicContact CG1-CG 4.24Å
62S87.9Confident85.7Confident75 Ų75105.8 Ų105.852%0.52460%0.599SS.*  trans-97128.1172.453.40000110.1
63L87.8Confident86.4Confident150 Ų150100 Ų10079%0.78558%0.575SS**  trans-116.4-33.7-178.3-63.6177.6000111.8V61 D67V61-L63 HydrophobicContact CG1-CD2 3.87Å; V61-L63 HydrophobicContact CG1-CG 4.24Å; L63-D67 PolarHBondContact N-OD2 2.87Å
64K89.8Confident86.7Confident154 Ų154100.4 Ų100.467%0.6758%0.58SS**SBendtrans-122.5151.8-173.7-65.4179.5-176.4174.80111.4G66 D67K64-G66 PolarHBondContact O-N 3.2Å; K64-D67 PolarHBondContact N-OD2 2.88Å; K64-D67 WeakPolarHBondContact O-CB 3.28Å; K64-D67 PolarHBondContact O-N 3.18Å; K64-D67 VanDerWaalsContact O-N 3.13Å
65P85.6Confident87.1Confident140 Ų14099.9 Ų99.991%0.90957%0.567SS**THydrogen-bonded Turntrans-6212416826.9-32.8000109.4
66G87.4Confident87.4Confident79 Ų7996.8 Ų96.881%0.81456%0.557SS**THydrogen-bonded Turntrans110.9-14.6-17400000114.2K64K64-G66 PolarHBondContact O-N 3.2Å
67D89.7Confident87.4Confident71 Ų7196.8 Ų96.838%0.3855%0.552SS.*PPolyproline II helixtrans-69.1143.8171.7-65.5-17.4000110.5L63 K64L63-D67 PolarHBondContact N-OD2 2.87Å; K64-D67 PolarHBondContact N-OD2 2.88Å; K64-D67 WeakPolarHBondContact O-CB 3.28Å; K64-D67 PolarHBondContact O-N 3.18Å; K64-D67 VanDerWaalsContact O-N 3.13Å
68L85.3Confident87.6Confident94 Ų9499 Ų9949%0.49256%0.556SS.*PPolyproline II helixtrans-69.4139.3177.8-63178.5000111E72 A73L68-E72 HydrophobicContact CB-CB 4.36Å; L68-E72 HydrophobicContact CD2-CB 4.19Å; L68-A73 HydrophobicContact CB-CB 4.38Å
69T87.4Confident87.8Confident66 Ų66101.4 Ų101.441%0.40555%0.554SS.*PPolyproline II helixtrans-73162.316859.70000110.9E71 E72 A73T69-E71 PolarHBondContact O-N 3.04Å; T69-E72 PolarHBondContact N-OE2 3.02Å; T69-E72 PolarHBondContact O-N 3.17Å; T69-E72 VanDerWaalsContact OG1-CD 3.27Å; T69-E72 WeakPolarHBondContact OG1-CG 3.33Å; T69-E72 PolarHBondContact OG1-OE2 3.32Å; T69-A73 WeakPolarHBondContact O-CB 3.39Å; T69-A73 PolarHBondContact O-N 3.45Å
70A86.1Confident87.9Confident49 Ų49101.2 Ų101.241%0.40554%0.542SS..Hα-helixtrans-57-33.6-179.600000113.2V60 K74V60-A70 HydrophobicContact CB-CB 4.22Å; A70-K74 VanDerWaalsContact O-CG 3.28Å; A70-K74 WeakPolarHBondContact O-CG 3.45Å; A70-K74 PolarHBondContact O-N 3.37Å; A70-K74 VanDerWaalsContact O-N 3.17Å
71E87.1Confident87.9Confident164 Ų164103.4 Ų103.477%0.76655%0.548SS*.Hα-helixtrans-73-44178.2-62.8-172.7170.100112.2T69 K74 K75T69-E71 PolarHBondContact O-N 3.04Å; E71-K74 PolarHBondContact O-N 2.91Å; E71-K75 PolarHBondContact O-N 3.35Å
72E89.3Confident87.7Confident100 Ų100104.8 Ų104.847%0.46755%0.548SS..Hα-helixtrans-65.9-39.7177.3-67.9167.9148.700111.5L68 T69 K75 A76L68-E72 HydrophobicContact CB-CB 4.36Å; L68-E72 HydrophobicContact CD2-CB 4.19Å; T69-E72 PolarHBondContact N-OE2 3.02Å; T69-E72 PolarHBondContact O-N 3.17Å; T69-E72 VanDerWaalsContact OG1-CD 3.27Å; T69-E72 WeakPolarHBondContact OG1-CG 3.33Å; T69-E72 PolarHBondContact OG1-OE2 3.32Å; E72-K75 PolarHBondContact O-N 2.98Å; E72-A76 WeakPolarHBondContact O-CB 3.36Å; E72-A76 PolarHBondContact O-N 3.25Å
73A87.8Confident87.6Confident19 Ų19107.5 Ų107.516%0.15755%0.552CS.*Hα-helixtrans-61.9-44.4175.400000111.7V60 L68 T69 A76 R77V60-A73 HydrophobicContact CG1-CB 4.34Å; V60-A73 HydrophobicContact CG2-CB 4.21Å; L68-A73 HydrophobicContact CB-CB 4.38Å; T69-A73 WeakPolarHBondContact O-CB 3.39Å; T69-A73 PolarHBondContact O-N 3.45Å; A73-A76 PolarHBondContact O-N 3.03Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 3.27Å
74K87.6Confident87.4Confident145 Ų145105.6 Ų105.663%0.6354%0.539SS*.Hα-helixtrans-60.9-45.1174.9-76.4176.4-178.8-173.60111.8A70 E71 A76 R77 L78A70-K74 VanDerWaalsContact O-CG 3.28Å; A70-K74 WeakPolarHBondContact O-CG 3.45Å; A70-K74 PolarHBondContact O-N 3.37Å; A70-K74 VanDerWaalsContact O-N 3.17Å; E71-K74 PolarHBondContact O-N 2.91Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.33Å; K74-R77 PolarHBondContact O-N 2.98Å; K74-L78 PolarHBondContact O-N 3.09Å
75K89.3Confident86.9Confident124 Ų124103 Ų10354%0.53953%0.533SS..Hα-helixtrans-63.9-38.2177.9-169.9178.5-173.6178.70112.4E71 E72 R79E71-K75 PolarHBondContact O-N 3.35Å; E72-K75 PolarHBondContact O-N 2.98Å; K75-R79 VanDerWaalsContact CE-NH2 3.33Å; K75-R79 WeakPolarHBondContact O-CG 3.5Å; K75-R79 PolarHBondContact O-N 3.17Å
76A88.3Confident86.6Confident49 Ų49100.1 Ų100.141%0.40552%0.516SS..Hα-helixtrans-67.1-3917600000111.9E72 A73 K74 K80E72-A76 WeakPolarHBondContact O-CB 3.36Å; E72-A76 PolarHBondContact O-N 3.25Å; A73-A76 PolarHBondContact O-N 3.03Å; K74-A76 VanDerWaalsContact C-N 3.33Å; K74-A76 PolarHBondContact O-N 3.33Å; A76-K80 WeakPolarHBondContact O-CB 3.37Å; A76-K80 PolarHBondContact O-N 3.43Å; A76-K80 VanDerWaalsContact O-N 3.17Å
77R86.9Confident86.1Confident122 Ų122101.2 Ų101.246%0.4650%0.503SS..Hα-helixtrans-62.6-50.3174.5-72.9-172.773.3-167-3.4111.9E52 A73 K74 R79 K80 E81E52-R77 IonicContact OE1-NH2 3.62Å; E52-R77 IonicContact OE2-NH2 3.8Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 3.27Å; K74-R77 PolarHBondContact O-N 2.98Å; R77-R79 VanDerWaalsContact C-N 3.33Å; R77-R79 PolarHBondContact O-N 3.13Å; R77-K80 PolarHBondContact O-N 2.83Å; R77-K80 VanDerWaalsContact O-N 3.09Å; R77-E81 PolarHBondContact O-N 2.87Å
78L87.1Confident85.4Confident99 Ų99101.6 Ų101.652%0.51851%0.511SS..Hα-helixtrans-54.7-46.1178-93.7147.3000112.5K74 K80 E81 E82K74-L78 PolarHBondContact O-N 3.09Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.19Å; L78-E81 PolarHBondContact O-N 3.34Å; L78-E82 WeakPolarHBondContact O-CG 3.48Å; L78-E82 PolarHBondContact O-N 3.48Å
79R90.8Very high84.6Confident136 Ų136106.3 Ų106.351%0.51353%0.528SS..Hα-helixtrans-62.3-40.6177.5-73.2172.3174.1-177.4-7.3112.8K75 R77 E82 E83K75-R79 VanDerWaalsContact CE-NH2 3.33Å; K75-R79 WeakPolarHBondContact O-CG 3.5Å; K75-R79 PolarHBondContact O-N 3.17Å; R77-R79 VanDerWaalsContact C-N 3.33Å; R77-R79 PolarHBondContact O-N 3.13Å; R79-E82 PolarHBondContact O-N 3.02Å; R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.2Å
80K88.6Confident83.7Confident123 Ų123106.9 Ų106.954%0.53554%0.54SS..Hα-helixtrans-66.8-40.5-179.7-176.7176170.2-176.90111.3A76 R77 L78 E83 E84A76-K80 WeakPolarHBondContact O-CB 3.37Å; A76-K80 PolarHBondContact O-N 3.43Å; A76-K80 VanDerWaalsContact O-N 3.17Å; R77-K80 PolarHBondContact O-N 2.83Å; R77-K80 VanDerWaalsContact O-N 3.09Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 3.19Å; K80-E83 PolarHBondContact O-N 2.91Å; K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 IonicContact NZ-OE1 3.77Å; K80-E84 WeakPolarHBondContact O-CB 2.88Å; K80-E84 WeakPolarHBondContact O-CG 3.34Å; K80-E84 PolarHBondContact O-N 3.12Å
81E86.6Confident82Confident114 Ų114113.7 Ų113.753%0.53357%0.569SS.*Hα-helixtrans-63.9-45.5175.9-169.5173.3-175.100111.3R77 L78 E83 E84 D85R77-E81 PolarHBondContact O-N 2.87Å; L78-E81 PolarHBondContact O-N 3.34Å; E81-E83 VanDerWaalsContact C-N 3.3Å; E81-E83 PolarHBondContact O-N 3.36Å; E81-E84 PolarHBondContact O-N 3.03Å; E81-D85 WeakPolarHBondContact O-CB 3.33Å; E81-D85 PolarHBondContact O-N 3.35Å
82E86.2Confident81.8Confident127 Ų127111.2 Ų111.259%0.59356%0.559SS**Hα-helixtrans-58.6-39.5174-71.9172.7-176.300112.6L78 R79 S86L78-E82 WeakPolarHBondContact O-CG 3.48Å; L78-E82 PolarHBondContact O-N 3.48Å; R79-E82 PolarHBondContact O-N 3.02Å; E82-S86 WeakPolarHBondContact O-CB 3.42Å; E82-S86 PolarHBondContact O-N 3.27Å; E82-S86 VanDerWaalsContact O-N 3.12Å
83E86.2Confident81.4Confident132 Ų132111.7 Ų111.762%0.61756%0.564SS**Hα-helixtrans-68.2-42.8176.5-75.2173.4-166.200111.9R79 K80 E81 S86 N87R79-E83 WeakPolarHBondContact O-CG 3.36Å; R79-E83 PolarHBondContact O-N 3.2Å; K80-E83 PolarHBondContact O-N 2.91Å; E81-E83 VanDerWaalsContact C-N 3.3Å; E81-E83 PolarHBondContact O-N 3.36Å; E83-S86 PolarHBondContact O-N 3.4Å; E83-S86 PolarHBondContact O-OG 3.46Å; E83-N87 PolarHBondContact O-N 3.44Å; E83-N87 VanDerWaalsContact O-N 3.15Å
84E82.4Confident81Confident111 Ų111116.9 Ų116.952%0.51959%0.587SS.*Hα-helixtrans-64.6-43.1177.9-75176.7-179.300111.9K80 E81 S86 N87 S88K80-E84 WeakPolarHBondContact CE-OE1 3.49Å; K80-E84 IonicContact NZ-OE1 3.77Å; K80-E84 WeakPolarHBondContact O-CB 2.88Å; K80-E84 WeakPolarHBondContact O-CG 3.34Å; K80-E84 PolarHBondContact O-N 3.12Å; E81-E84 PolarHBondContact O-N 3.03Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 2.97Å; E84-N87 PolarHBondContact O-N 3.36Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.33Å
85D79.4Confident80.7Confident99 Ų99115.2 Ų115.253%0.52958%0.584SS.*Hα-helixtrans-64.6-36.5175.8-78.9-17.3000112.7E81 N87 S88 K89E81-D85 WeakPolarHBondContact O-CB 3.33Å; E81-D85 PolarHBondContact O-N 3.35Å; D85-N87 VanDerWaalsContact C-N 3.33Å; D85-S88 PolarHBondContact O-OG 3.1Å; D85-S88 VanDerWaalsContact O-OG 3.1Å; D85-K89 WeakPolarHBondContact O-CB 3.49Å; D85-K89 PolarHBondContact O-N 2.94Å
86S79.3Confident80.1Confident80 Ų80114.7 Ų114.756%0.55959%0.587SS**Hα-helixtrans-68.2-34.117777.90000112.5E82 E83 E84E82-S86 WeakPolarHBondContact O-CB 3.42Å; E82-S86 PolarHBondContact O-N 3.27Å; E82-S86 VanDerWaalsContact O-N 3.12Å; E83-S86 PolarHBondContact O-N 3.4Å; E83-S86 PolarHBondContact O-OG 3.46Å; E84-S86 VanDerWaalsContact C-N 3.33Å; E84-S86 PolarHBondContact O-N 2.97Å
87N76.8Confident79.6Confident101 Ų101119.1 Ų119.154%0.5460%0.599SS.*Hα-helixtrans-82.3-35.1-177.5-165.99.6000112.3E83 E84 D85 K89 A90 N91E83-N87 PolarHBondContact O-N 3.44Å; E83-N87 VanDerWaalsContact O-N 3.15Å; E84-N87 PolarHBondContact O-N 3.36Å; D85-N87 VanDerWaalsContact C-N 3.33Å; N87-K89 VanDerWaalsContact C-N 3.29Å; N87-K89 PolarHBondContact O-N 3.32Å; N87-A90 PolarHBondContact O-N 3.31Å; N87-N91 PolarHBondContact O-ND2 2.76Å
88S74.4Confident79.1Confident79 Ų79118.9 Ų118.955%0.55261%0.609SS**Hα-helixtrans-65.9-33.5174.867.80000111.9E84 D85 A90E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.33Å; D85-S88 PolarHBondContact O-OG 3.1Å; D85-S88 VanDerWaalsContact O-OG 3.1Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 3.15Å
89K69.6Low78.4Confident193 Ų193120.4 Ų120.484%0.83962%0.616SS**THydrogen-bonded Turntrans-76.8-13.4178.5-157.4164.9-168.31660114.2D85 N87D85-K89 WeakPolarHBondContact O-CB 3.49Å; D85-K89 PolarHBondContact O-N 2.94Å; N87-K89 VanDerWaalsContact C-N 3.29Å; N87-K89 PolarHBondContact O-N 3.32Å
90A67.5Low77.4Confident79 Ų79119.1 Ų119.165%0.65362%0.624SS**THydrogen-bonded Turntrans-93.9-13.6-17900000114.2N87 S88N87-A90 PolarHBondContact O-N 3.31Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 3.15Å
91N52.1Low76.4Confident191 Ų191118.7 Ų118.7100%1.02163%0.632SS**  trans-103.60-179.5-75.9-60.8000113.5N87N87-N91 PolarHBondContact O-ND2 2.76Å

Retrieved 91 of 91 residues in 132.9 ms (Link to these results)