A0A077YVQ8_TRITR Loading...

E3 ubiquitin-protein ligase PPP1R11

AlphaFold DB , UniProt , Accession A0A077YVQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 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
1M45.7Very low52.9Low232 Ų232169.1 Ų169.1100%1.14381%0.812SS**  087.60-62.2-66177.300107.6I3M1-I3 PolarHBondContact O-N 2.96Å
2Q46.2Very low53.5Low192 Ų192161.7 Ų161.790%0.89779%0.791SS**  trans-86.5106.4-175.9-71.2143-39.400108.8T4Q2-T4 PolarHBondContact O-N 3.32Å
3I59.6Low54.2Low150 Ų150164.1 Ų164.177%0.76980%0.795SS**  trans-83.2110.5173.7-66.3170.6000107M1 F5M1-I3 PolarHBondContact O-N 2.96Å; I3-F5 WeakPolarHBondContact O-CD2 3.41Å; I3-F5 PolarHBondContact O-N 2.64Å
4T56.1Low54.7Low111 Ų111164.7 Ų164.768%0.68180%0.796SS**  trans-69.7116.3-179.4380000110.6Q2 L6Q2-T4 PolarHBondContact O-N 3.32Å; T4-L6 PolarHBondContact O-N 2.92Å
5F56.5Low55.1Low207 Ų207160 Ų16091%0.90879%0.787SS**  trans-72.255.9175.4-78.4-99.9000112.3I3I3-F5 WeakPolarHBondContact O-CD2 3.41Å; I3-F5 PolarHBondContact O-N 2.64Å
6L51.1Low56.1Low136 Ų136157.6 Ų157.671%0.71278%0.784SS**  trans-10646.1176.2-81.5165.2000111.7T4 I8T4-L6 PolarHBondContact O-N 2.92Å; L6-I8 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact O-N 3.16Å
7H50.3Low56.4Low181 Ų181156.6 Ų156.684%0.83878%0.779SS**  trans-84.484.8155.2-80.2-103.9000107.2Y9H7-Y9 PolarHBondContact O-N 2.67Å
8I51.6Low56.9Low142 Ų142155.2 Ų155.273%0.72878%0.78SS**  trans-31.6102.5158.6-63.1163.9000107.5L6 Y10L6-I8 PolarHBondContact O-N 2.91Å; L6-I8 VanDerWaalsContact O-N 3.16Å; I8-Y10 PolarHBondContact O-N 2.71Å
9Y55Low57.2Low235 Ų235153.6 Ų153.692%0.92278%0.779SS**  trans-72.883.6176.1-148.2-96.3000106.1H7 S11H7-Y9 PolarHBondContact O-N 2.67Å; Y9-S11 PolarHBondContact O-N 3.45Å
10Y56.1Low57.2Low189 Ų189149.2 Ų149.274%0.74177%0.774SS**  trans-63.7107.3-179.5177.4-103.9000108.8I8 S12I8-Y10 PolarHBondContact O-N 2.71Å; Y10-S12 PolarHBondContact O-N 3.34Å
11S53.4Low57.5Low85 Ų85147.2 Ų147.259%0.59477%0.772SS**  trans-52.998.9174.2158.40000111.8Y9Y9-S11 PolarHBondContact O-N 3.45Å
12S60.7Low58.5Low80 Ų80144 Ų14456%0.55976%0.755SS**  trans-95.394.7159.6-70.90000109.3Y10 Q14Y10-S12 PolarHBondContact O-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.08Å
13K61.9Low59.6Low193 Ų193142.8 Ų142.884%0.83975%0.752SS**  trans-67.486.6162.8-65.3-174.4-175.9-175.40107.5S15K13-S15 PolarHBondContact O-N 3.25Å; K13-S15 VanDerWaalsContact O-N 3.11Å
14Q62.2Low60.1Low173 Ų173142.1 Ų142.181%0.80875%0.749SS**  trans-73.1106.3170.1-75.1-177.932.200107.9S12 T16S12-Q14 PolarHBondContact O-N 3.08Å; Q14-T16 PolarHBondContact O-N 3.13Å
15S59.7Low60.8Low94 Ų94141.2 Ų141.266%0.65775%0.753SS**  trans-59.9109.5171.4-173.20000108.8K13 M17K13-S15 PolarHBondContact O-N 3.25Å; K13-S15 VanDerWaalsContact O-N 3.11Å; S15-M17 PolarHBondContact O-N 3.16Å; S15-M17 WeakPolarHBondContact OG-CE 3.4Å
16T71.1Confident61.9Low122 Ų122141.5 Ų141.575%0.74875%0.748SS**  trans-69.197.9174.2-56.20000108.4Q14 T18Q14-T16 PolarHBondContact O-N 3.13Å; T16-T18 PolarHBondContact O-N 3.11Å
17M61.7Low63.4Low141 Ų141141 Ų14170%0.69575%0.753SS**  trans-71.6109.6165.4-62.5-74.579.500107.6S15 V19S15-M17 PolarHBondContact O-N 3.16Å; S15-M17 WeakPolarHBondContact OG-CE 3.4Å; M17-V19 PolarHBondContact O-N 2.91Å
18T65.7Low65.1Low131 Ų131136.6 Ų136.680%0.80474%0.742SS**  trans-68.386.9163.941.10000107.6T16 G20T16-T18 PolarHBondContact O-N 3.11Å; T18-G20 PolarHBondContact O-N 2.85Å
19V63.1Low66.7Low125 Ų125138.4 Ų138.476%0.75875%0.75SS**  trans-61.6108.3163.7178.70000105.3M17 S21M17-V19 PolarHBondContact O-N 2.91Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.03Å
20G55.6Low68.3Low65 Ų65137.2 Ų137.267%0.6774%0.744SS**  trans-55.6101.9170.500000107.3T18 E22T18-G20 PolarHBondContact O-N 2.85Å; G20-E22 VanDerWaalsContact C-N 3.26Å; G20-E22 PolarHBondContact O-N 2.91Å
21S64.4Low70Confident107 Ų107136 Ų13675%0.74875%0.749SS**  trans-68.995.7171.341.20000106.1V19 I23V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.03Å; S21-I23 PolarHBondContact O-N 3.29Å; S21-I23 VanDerWaalsContact O-N 3.11Å
22E66.3Low71.7Confident166 Ų166138.9 Ų138.978%0.77676%0.757SS**  trans-49.5122.1162.1-70-179.4173.600106.6G20 I24G20-E22 VanDerWaalsContact C-N 3.26Å; G20-E22 PolarHBondContact O-N 2.91Å; E22-I24 HydrophobicContact CB-CG1 4.35Å; E22-I24 PolarHBondContact O-N 2.99Å
23I69.4Low73Confident165 Ų165143 Ų14385%0.84677%0.771SS**  trans-72.672.7177.6-51.2173.6000105.9S21 A25S21-I23 PolarHBondContact O-N 3.29Å; S21-I23 VanDerWaalsContact O-N 3.11Å; I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.23Å
24I70.9Confident74.1Confident137 Ų137144.5 Ų144.570%0.70377%0.772SS**  trans-60.3107.8168.2-60.6172.6000103.7E22 R26E22-I24 HydrophobicContact CB-CG1 4.35Å; E22-I24 PolarHBondContact O-N 2.99Å; I24-R26 PolarHBondContact O-N 2.99Å
25A71.1Confident75.1Confident92 Ų92141.5 Ų141.576%0.7677%0.768SS**  trans-65.774.9178.100000108.3I23I23-A25 VanDerWaalsContact C-N 3.35Å; I23-A25 PolarHBondContact O-N 3.23Å
26R79.4Confident76.2Confident212 Ų212140 Ų14080%0.875%0.752SS**  trans-60.6124178.2-170.6176-178.5-123.30.6106.2I24 S28I24-R26 PolarHBondContact O-N 2.99Å; R26-S28 PolarHBondContact O-N 3.05Å
27P82.6Confident76.7Confident126 Ų126139.9 Ų139.982%0.81875%0.753SS**  trans-57115.8178.222.7-32.1000107.8
28S85Confident77.8Confident88 Ų88138.9 Ų138.962%0.61576%0.756SS**  trans-107.9125.2179.658.10000108.8R26R26-S28 PolarHBondContact O-N 3.05Å
29M86Confident78.7Confident181 Ų181141.2 Ų141.289%0.89275%0.749SS**  trans-76.2122.7170.9-76.3-77.9-87.900108.3
30R88.7Confident79.6Confident209 Ų209147.2 Ų147.279%0.78976%0.759SS**  trans-105.6115.7175-66.6-173.2-177.3-1541.6109.2
31L90.2Very high80.8Confident164 Ų164150.4 Ų150.486%0.85976%0.756SS**  trans-83.7116.5170.3-62.3177.6000108.3
32I90.9Very high81.8Confident146 Ų146151.7 Ų151.775%0.74976%0.759SS**  trans-102.7114174.7-57.1175.5000107.2R34I32-R34 PolarHBondContact O-N 3.2Å
33L87Confident82.9Confident165 Ų165148.8 Ų148.886%0.86476%0.757SS**PPolyproline II helixtrans-73.4124.5173.3-62.4176.9000108.7
34R85.6Confident83.9Confident225 Ų225150.8 Ų150.885%0.84975%0.754SS**PPolyproline II helixtrans-92.1135.9171.5-66.5-177.1-176.7150.41.1108.9I32 D36I32-R34 PolarHBondContact O-N 3.2Å; R34-D36 PolarHBondContact O-N 3.4Å
35P81.9Confident84.8Confident111 Ų111147.7 Ų147.772%0.72175%0.749SS**PPolyproline II helixtrans-62.6129.1172.424-29.6000109.3
36D84.6Confident85.9Confident61 Ų61149.9 Ų149.933%0.32676%0.758SS.*  trans-82.3115176.2174.1-4000108.8R34 T38 R39R34-D36 PolarHBondContact O-N 3.4Å; D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.11Å; D36-T38 VanDerWaalsContact O-N 3.16Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.19Å; D36-T38 PolarHBondContact OD1-OG1 2.94Å; D36-T38 PolarHBondContact OD2-OG1 3.15Å; D36-R39 HydrophobicContact CB-CB 4.36Å; D36-R39 HydrophobicContact CB-CG 3.88Å; D36-R39 PolarHBondContact O-N 3.03Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D36-R39 WeakPolarHBondContact OD2-CG 3.48Å; D36-R39 IonicContact OD2-NE 3.55Å
37P80.1Confident86.5Confident120 Ų120142.6 Ų142.678%0.77975%0.75SS**THydrogen-bonded Turntrans-67.9-14.9-175.729.4-35.9000113.2
38T86Confident86.9Confident121 Ų121140 Ų14074%0.74273%0.732SS**THydrogen-bonded Turntrans-85.3-14.717871.50000112.5D36D36-T38 VanDerWaalsContact CG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.11Å; D36-T38 VanDerWaalsContact O-N 3.16Å; D36-T38 WeakPolarHBondContact OD1-CB 3.46Å; D36-T38 PolarHBondContact OD1-N 3.19Å; D36-T38 PolarHBondContact OD1-OG1 2.94Å; D36-T38 PolarHBondContact OD2-OG1 3.15Å
39R82.9Confident86.9Confident179 Ų179140.5 Ų140.568%0.67573%0.731SS**SBendtrans-74.9138.8178.6-76.5-177.9174.8-122.4-4.9110.5D36 H41D36-R39 HydrophobicContact CB-CB 4.36Å; D36-R39 HydrophobicContact CB-CG 3.88Å; D36-R39 PolarHBondContact O-N 3.03Å; D36-R39 VanDerWaalsContact O-N 3.13Å; D36-R39 WeakPolarHBondContact OD2-CG 3.48Å; D36-R39 IonicContact OD2-NE 3.55Å; R39-H41 PolarHBondContact O-CD2 3.06Å; R39-H41 PolarHBondContact O-N 3.26Å
40R82.3Confident86.7Confident252 Ų252137 Ų13795%0.95172%0.716SS**PPolyproline II helixtrans-66.4121.2174.1-62.7-176.8-178.8-1420.1108.8
41H82.3Confident86.3Confident131 Ų131131.7 Ų131.761%0.60670%0.703SS**PPolyproline II helixtrans-90144.6173.7-70.1-92.3000110.1R39 S43R39-H41 PolarHBondContact O-CD2 3.06Å; R39-H41 PolarHBondContact O-N 3.26Å; H41-S43 PolarHBondContact O-N 2.8Å
42V85.6Confident85.8Confident135 Ų135129.6 Ų129.682%0.81869%0.689SS**  trans-76.9109.7170.1-179.90000107.4
43S87.9Confident84.9Confident105 Ų105129.3 Ų129.373%0.73468%0.684SS**  trans-111.6138.4172.857.90000109.9H41H41-S43 PolarHBondContact O-N 2.8Å
44W90.5Very high84.5Confident206 Ų206125 Ų12578%0.7866%0.662SS**  trans-82.6147.6170.7-59.6101.5000110.3T48W44-T48 HydrophobicContact CD2-CG2 4.17Å; W44-T48 HydrophobicContact CE3-CG2 3.54Å; W44-T48 HydrophobicContact CZ3-CG2 4.05Å
45A91.1Very high83.7Confident72 Ų72122.2 Ų122.260%0.59566%0.663SS**  trans-75.8155.3171.800000109.6G47 T48A45-G47 PolarHBondContact O-N 3.16Å; A45-T48 PolarHBondContact N-OG1 2.89Å; A45-T48 WeakPolarHBondContact O-CB 3.07Å; A45-T48 PolarHBondContact O-N 3.25Å; A45-T48 PolarHBondContact O-OG1 3.38Å
46S92.6Very high83.2Confident138 Ų138125.1 Ų125.197%0.96566%0.66SS**THydrogen-bonded Turntrans-59.2-22.5-178.954.80000114.2
47G92.7Very high82.5Confident60 Ų60129.6 Ų129.662%0.61968%0.677SS**THydrogen-bonded Turntrans-97.112.2176.700000115.1A45 V49A45-G47 PolarHBondContact O-N 3.16Å; G47-V49 PolarHBondContact O-N 3.37Å; G47-V49 VanDerWaalsContact O-N 3.15Å
48T90.7Very high81.8Confident72 Ų72130.8 Ų130.844%0.44267%0.669SS.*  trans-65.8115.3175.1-65.10000109.6W44 A45W44-T48 HydrophobicContact CD2-CG2 4.17Å; W44-T48 HydrophobicContact CE3-CG2 3.54Å; W44-T48 HydrophobicContact CZ3-CG2 4.05Å; A45-T48 PolarHBondContact N-OG1 2.89Å; A45-T48 WeakPolarHBondContact O-CB 3.07Å; A45-T48 PolarHBondContact O-N 3.25Å; A45-T48 PolarHBondContact O-OG1 3.38Å
49V85Confident80.9Confident97 Ų97131.2 Ų131.259%0.58868%0.678SS**  trans-103.1122.9176.2-179.60000108.5G47 L54G47-V49 PolarHBondContact O-N 3.37Å; G47-V49 VanDerWaalsContact O-N 3.15Å; V49-L54 HydrophobicContact CG1-CD1 3.88Å
50D82.2Confident80.2Confident109 Ų109131 Ų13158%0.58368%0.682SS**  trans-71.9136.5171.1178.151.3000110.7E52D50-E52 WeakPolarHBondContact OD2-CB 3.15Å; D50-E52 PolarHBondContact OD2-N 3.42Å
51N79.9Confident79.6Confident96 Ų96119.9 Ų119.951%0.51364%0.642SS.*  trans-958.2-172-71.9-57.9000113.3H53N51-H53 VanDerWaalsContact C-N 3.27Å; N51-H53 PolarHBondContact O-N 3.45Å
52E79.8Confident78.8Confident121 Ų121118.6 Ų118.657%0.56565%0.647SS**THydrogen-bonded Turntrans-64-30.2-170.7-171.2173.5-169.500113.6D50D50-E52 WeakPolarHBondContact OD2-CB 3.15Å; D50-E52 PolarHBondContact OD2-N 3.42Å
53H72.9Confident77.9Confident140 Ų140114.3 Ų114.365%0.64862%0.622SS**THydrogen-bonded Turntrans-124.411.4-169.4-53.895.5000115.1N51 N55N51-H53 VanDerWaalsContact C-N 3.27Å; N51-H53 PolarHBondContact O-N 3.45Å; H53-N55 PolarHBondContact O-N 3.27Å
54L78Confident76.9Confident75 Ų75115.5 Ų115.539%0.39363%0.625SS.*SBendtrans-82.913.4-174.8-67.8-179.9000114.6V49 R56V49-L54 HydrophobicContact CG1-CD1 3.88Å; L54-R56 HydrophobicContact CB-CG 4.04Å; L54-R56 WeakPolarHBondContact O-CG 3.45Å; L54-R56 PolarHBondContact O-N 3.33Å
55N69.2Low76Confident165 Ų165114.1 Ų114.188%0.88262%0.62SS**  trans47.423.1-170.7-65.692.1000113.6H53H53-N55 PolarHBondContact O-N 3.27Å
56R71.6Confident75Confident172 Ų172115.8 Ų115.865%0.64962%0.623SS**PPolyproline II helixtrans-85.9138.4176.1-70.3179.8177.7174.6-2.4108.4L54 K58L54-R56 HydrophobicContact CB-CG 4.04Å; L54-R56 WeakPolarHBondContact O-CG 3.45Å; L54-R56 PolarHBondContact O-N 3.33Å; R56-K58 PolarHBondContact O-N 3.04Å; R56-K58 VanDerWaalsContact O-N 3.11Å
57K68.7Low74.1Confident156 Ų156117 Ų11768%0.67861%0.611SS**PPolyproline II helixtrans-54.1118.5175.6-72.6175.7173.5165.70109.3S59 C111K57-S59 PolarHBondContact O-N 3.34Å; K57-C111 WeakPolarHBondContact CE-SG 3.34Å; K57-C111 PolarHBondContact NZ-SG 3.29Å; K57-C111 VanDerWaalsContact NZ-SG 3.42Å
58K65.9Low73.1Confident144 Ų144118.7 Ų118.763%0.62661%0.611SS**PPolyproline II helixtrans-65.1117.5177.5-54.7-172.9-160.6-139.40108R56 K60R56-K58 PolarHBondContact O-N 3.04Å; R56-K58 VanDerWaalsContact O-N 3.11Å; K58-K60 PolarHBondContact O-N 3.21Å
59S66.2Low72.1Confident131 Ų131123 Ų12392%0.91662%0.624SS**SBendtrans-79.2-2.9-174.956.20000113.9K57K57-S59 PolarHBondContact O-N 3.34Å
60K69.6Low71.5Confident175 Ų175125.7 Ų125.776%0.76163%0.628SS**SBendtrans-137.5127.7-176.2-168.8180174.280.20110K58 C62K58-K60 PolarHBondContact O-N 3.21Å; K60-C62 PolarHBondContact O-N 3.42Å
61C68.6Low71Confident18 Ų18130.5 Ų130.512%0.12264%0.644CS.*  trans-53127.5172.51760000109.8C63 C87C61-C63 VanDerWaalsContact C-N 3.32Å; C61-C63 PolarHBondContact SG-N 3.38Å; C61-C63 VanDerWaalsContact SG-N 3.42Å; C61-C63 PolarHBondContact SG-O 3.02Å; C61-C63 VanDerWaalsContact SG-O 3.42Å; C61-C87 HydrophobicContact CB-CB 4.16Å; C61-C87 WeakPolarHBondContact SG-CB 3.43Å; C61-C87 PolarHBondContact SG-SG 2.98Å
62C67Low70.4Confident104 Ų104133 Ų13370%0.70366%0.657SS**SBendtrans-79.8-16177.652.20000112.8K60 C87K60-C62 PolarHBondContact O-N 3.42Å; C62-C87 VanDerWaalsContact SG-SG 3.65Å
63C64.9Low69.1Low44 Ų44134.4 Ų134.430%0.29766%0.663SS.*  trans-108.786.7-169.9-58.30000110.9C61 C84 H90C61-C63 VanDerWaalsContact C-N 3.32Å; C61-C63 PolarHBondContact SG-N 3.38Å; C61-C63 VanDerWaalsContact SG-N 3.42Å; C61-C63 PolarHBondContact SG-O 3.02Å; C61-C63 VanDerWaalsContact SG-O 3.42Å; C63-C84 PolarHBondContact SG-SG 3.21Å; C63-H90 PolarHBondContact O-CE1 3.16Å
64V67.4Low68.2Low131 Ų131133.1 Ų133.179%0.79467%0.67SS**  trans-90-23.3170.3-173.30000111.2V66V64-V66 PolarHBondContact O-N 2.89Å
65Y72.6Confident67.1Low176 Ų176134.8 Ų134.869%0.6969%0.688SS**PPolyproline II helixtrans-81.1118.8-176.6-177.8-102.2000111.6K67 P68Y65-K67 HydrophobicContact CE1-CB 3.93Å; Y65-K67 HydrophobicContact CE1-CG 4.43Å; Y65-P68 WeakPolarHBondContact OH-CD 3.48Å
66V70.3Confident66.3Low107 Ų107130.9 Ų130.965%0.64867%0.674SS**PPolyproline II helixtrans-98.9124.6162.4-176.80000106.9V64V64-V66 PolarHBondContact O-N 2.89Å
67K73.6Confident65.3Low164 Ų164131 Ų13171%0.71368%0.682SS**PPolyproline II helixtrans-61.8124.9176.4-173.4-174.5-66.6169.90108.5Y65 K69Y65-K67 HydrophobicContact CE1-CB 3.93Å; Y65-K67 HydrophobicContact CE1-CG 4.43Å; K67-K69 PolarHBondContact O-N 3.2Å
68P71.4Confident64.4Low96 Ų96129.8 Ų129.862%0.62368%0.683SS**PPolyproline II helixtrans-63.2129.6177.624.1-30000109.6Y65Y65-P68 WeakPolarHBondContact OH-CD 3.48Å
69K68.4Low63.8Low163 Ų163129.6 Ų129.671%0.70968%0.684SS**PPolyproline II helixtrans-64.5140175.8-61.8-179-178.5-177.20109.1K67 E79K67-K69 PolarHBondContact O-N 3.2Å; K69-E79 IonicContact NZ-OE1 2.69Å; K69-E79 PolarHBondContact NZ-OE1 3.47Å
70K73.6Confident63.1Low153 Ų153131.6 Ų131.667%0.66568%0.679SS**PPolyproline II helixtrans-69.4133.3170.9-70.6178.6-178172.40107.9D72 E73K70-D72 PolarHBondContact O-N 2.89Å; K70-E73 PolarHBondContact O-N 3.38Å
71F71Confident62.4Low210 Ų210131.7 Ų131.792%0.92168%0.682SS**THydrogen-bonded Turntrans-55-26.5-174.6167.3-97.2000114.4
72D67.5Low61.8Low147 Ų147138.4 Ų138.479%0.78672%0.716SS**THydrogen-bonded Turntrans-98.4-1.7-171.6-161.545.9000114.5K70 S74K70-D72 PolarHBondContact O-N 2.89Å; D72-S74 PolarHBondContact O-N 3.11Å
73E52.8Low61.2Low151 Ų151139.3 Ų139.371%0.70671%0.714SS**SBendtrans-8796.3173.5-68.2-172.8147.700108.5K70 S75K70-E73 PolarHBondContact O-N 3.38Å; E73-S75 PolarHBondContact O-N 3.44Å
74S54.3Low60.7Low113 Ų113139.7 Ų139.779%0.7972%0.717SS**  trans-30.2131166.7179.50000111.8D72 S76D72-S74 PolarHBondContact O-N 3.11Å; S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.36Å
75S53.6Low60.4Low111 Ų111137 Ų13778%0.77671%0.707SS**  trans-54.878.5-176.4-170.50000113.1E73E73-S75 PolarHBondContact O-N 3.44Å
76S53.4Low59.8Low83 Ų83136.6 Ų136.658%0.5871%0.712SS**  trans-84.5117.6163-161.30000106.8S74 D78S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.36Å; S76-D78 VanDerWaalsContact CB-OD2 3.31Å; S76-D78 WeakPolarHBondContact CB-OD2 3.42Å; S76-D78 PolarHBondContact O-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.71Å
77E50.1Low59.2Low174 Ų174132.3 Ų132.381%0.81369%0.686SS**  trans-7057.8-178.3-60.8179.2117.600110.9
78D49.6Very low58.6Low131 Ų131129.3 Ų129.370%0.70169%0.686SS**  trans-107.560.5177.8-59.1-60.9000108.7S76 E80S76-D78 VanDerWaalsContact CB-OD2 3.31Å; S76-D78 WeakPolarHBondContact CB-OD2 3.42Å; S76-D78 PolarHBondContact O-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.71Å; D78-E80 VanDerWaalsContact C-N 3.27Å
79E53.6Low57.9Low140 Ų140126.5 Ų126.565%0.65468%0.675SS**  trans-89.513.8178.5-58.7-159.6152.500113.3K69K69-E79 IonicContact NZ-OE1 2.69Å; K69-E79 PolarHBondContact NZ-OE1 3.47Å
80E52.6Low57.5Low173 Ų173121.2 Ų121.281%0.80865%0.652SS**  trans-107.622.1-157.2-58.7-75.9153.400114.6D78D78-E80 VanDerWaalsContact C-N 3.27Å
81E54.5Low56.9Low176 Ų176119.6 Ų119.682%0.82266%0.655SS**  trans-155.549.4175.7-138.6-177.2-177.400116.8
82L55.9Low56.4Low160 Ų160116.5 Ų116.584%0.83864%0.643SS**  trans-116.358.9153.1-71.5169.8000108.4C84L82-C84 PolarHBondContact O-N 3.19Å
83D54.3Low55.8Low123 Ų123113.9 Ų113.966%0.65863%0.625SS**  trans-70.182.7167.7-171.428.8000108.7A85D83-A85 PolarHBondContact O-N 2.69Å
84C55.1Low55.9Low52 Ų52116.9 Ų116.935%0.35163%0.63SS.*  trans-65.587154.2-86.50000107.1C63 L82 H86 C87C63-C84 PolarHBondContact SG-SG 3.21Å; L82-C84 PolarHBondContact O-N 3.19Å; C84-H86 PolarHBondContact O-N 3.29Å; C84-C87 HydrophobicContact CB-CB 3.69Å; C84-C87 WeakPolarHBondContact CB-SG 3.42Å; C84-C87 WeakPolarHBondContact O-CB 3.49Å; C84-C87 PolarHBondContact O-N 2.99Å
85A59.4Low56.2Low73 Ų73118 Ų11860%0.60363%0.631SS**THydrogen-bonded Turntrans-51-18.9-177.600000113.7D83D83-A85 PolarHBondContact O-N 2.69Å
86H60Low56.3Low169 Ų169120.6 Ų120.678%0.78263%0.632SS**THydrogen-bonded Turntrans-105.55.5179.7-63-41.9000115.2C84 S88C84-H86 PolarHBondContact O-N 3.29Å; H86-S88 PolarHBondContact O-N 3.37Å
87C59Low56.3Low16 Ų16125.1 Ų125.111%0.10864%0.636CS.*  trans-94.188.5-179.1-790000111.8C61 C62 C84 G89 H90C61-C87 HydrophobicContact CB-CB 4.16Å; C61-C87 WeakPolarHBondContact SG-CB 3.43Å; C61-C87 PolarHBondContact SG-SG 2.98Å; C62-C87 VanDerWaalsContact SG-SG 3.65Å; C84-C87 HydrophobicContact CB-CB 3.69Å; C84-C87 WeakPolarHBondContact CB-SG 3.42Å; C84-C87 WeakPolarHBondContact O-CB 3.49Å; C84-C87 PolarHBondContact O-N 2.99Å; C87-G89 PolarHBondContact O-N 3.44Å; C87-H90 WeakPolarHBondContact CB-NE2 3.38Å
88S60.6Low56.2Low101 Ų101125.9 Ų125.971%0.70664%0.637SS**THydrogen-bonded Turntrans-72.214.7178.2-65.60000115H86H86-S88 PolarHBondContact O-N 3.37Å
89G55.8Low56.3Low38 Ų38126 Ų12639%0.39264%0.644SS.*THydrogen-bonded Turntrans-14928.3-16000000116.7C87 V91C87-G89 PolarHBondContact O-N 3.44Å; G89-V91 PolarHBondContact O-N 3.33Å
90H61.6Low56.2Low51 Ų51127.2 Ų127.224%0.23665%0.65CS.*  trans-68.9101163-64.7-72.1000107.9C63 C87 E92 K93 R94C63-H90 PolarHBondContact O-CE1 3.16Å; C87-H90 WeakPolarHBondContact CB-NE2 3.38Å; H90-E92 PolarHBondContact O-N 3.29Å; H90-E92 VanDerWaalsContact O-N 3.16Å; H90-K93 HydrophobicContact CB-CB 4.32Å; H90-K93 HydrophobicContact CB-CD 4.4Å; H90-K93 HydrophobicContact CB-CG 4.06Å; H90-K93 PolarHBondContact O-N 3.41Å; H90-R94 PolarHBondContact O-N 3.17Å
91V59.9Low56.1Low119 Ų119126.1 Ų126.172%0.72165%0.65SS**Hα-helixtrans-54.4-33.3-177.8-710000112G89 K93 R94G89-V91 PolarHBondContact O-N 3.33Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 3.19Å; V91-R94 WeakPolarHBondContact O-CB 3.31Å; V91-R94 PolarHBondContact O-N 3.45Å
92E60.4Low56.1Low145 Ų145127.5 Ų127.568%0.67865%0.647SS**Hα-helixtrans-63.3-38.5177.3-60.6179.6144.100112.1H90 R94H90-E92 PolarHBondContact O-N 3.29Å; H90-E92 VanDerWaalsContact O-N 3.16Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.82Å
93K55.6Low55.8Low93 Ų93128.8 Ų128.840%0.40465%0.649SS.*Hα-helixtrans-79.8-12.6179.2-57-167.2-170.9-167.60113H90 V91 V95 Q96 R97H90-K93 HydrophobicContact CB-CB 4.32Å; H90-K93 HydrophobicContact CB-CD 4.4Å; H90-K93 HydrophobicContact CB-CG 4.06Å; H90-K93 PolarHBondContact O-N 3.41Å; V91-K93 VanDerWaalsContact C-N 3.35Å; V91-K93 PolarHBondContact O-N 3.19Å; K93-V95 PolarHBondContact O-N 2.83Å; K93-Q96 PolarHBondContact O-N 2.92Å; K93-R97 PolarHBondContact O-N 2.83Å
94R55.7Low55.4Low213 Ų213132.4 Ų132.480%0.80466%0.659SS**Hα-helixtrans-66.7-27.4-178.7-161.7177.7-166.5-172.13.6112.3H90 V91 E92 Q96H90-R94 PolarHBondContact O-N 3.17Å; V91-R94 WeakPolarHBondContact O-CB 3.31Å; V91-R94 PolarHBondContact O-N 3.45Å; E92-R94 VanDerWaalsContact C-N 3.32Å; E92-R94 PolarHBondContact O-N 2.82Å; R94-Q96 PolarHBondContact O-N 2.61Å
95V58.7Low55.1Low136 Ų136135.4 Ų135.482%0.82467%0.668SS**THydrogen-bonded Turntrans-68.1-28.3177.2-172.90000111.3K93K93-V95 PolarHBondContact O-N 2.83Å
96Q57.6Low54.4Low167 Ų167135.5 Ų135.578%0.7866%0.662SS**THydrogen-bonded Turntrans-95.6-21.6-174.3-61.3-177.215.200114K93 R94 K98K93-Q96 PolarHBondContact O-N 2.92Å; R94-Q96 PolarHBondContact O-N 2.61Å; Q96-K98 PolarHBondContact O-N 3.49Å
97R52.3Low54Low178 Ų178134.1 Ų134.167%0.67267%0.668SS**  trans-84.5108.5-177-68.7-173.4179.3-161.6-0.5110.5K93K93-R97 PolarHBondContact O-N 2.83Å
98K48Very low53.8Low190 Ų190137.1 Ų137.183%0.82670%0.702SS**  trans-52.1138.9166.9-68.3-176.7179.8179.70109.4Q96 H100Q96-K98 PolarHBondContact O-N 3.49Å; K98-H100 PolarHBondContact O-N 3.42Å
99P51.6Low53.4Low133 Ų133137.8 Ų137.886%0.86469%0.694SS**  trans-64.2104.8-179.925.3-31.5000108.9
100H52.4Low53.1Low165 Ų165141.2 Ų141.276%0.76471%0.709SS**  trans-77125.9162.9-169.6-73.6000107.3K98 R102K98-H100 PolarHBondContact O-N 3.42Å; H100-R102 PolarHBondContact O-N 2.8Å
101D49.7Very low52.7Low151 Ų151141.9 Ų141.981%0.80772%0.719SS**  trans-49.9108.4172.9-102.3-51.9000108.8E103D101-E103 PolarHBondContact O-N 2.86Å
102R54.4Low52Low205 Ų205144.7 Ų144.777%0.77472%0.724SS**  trans-89.895.3167.1-76.6-165.4168.3-160.2-1.7105.5H100 K104H100-R102 PolarHBondContact O-N 2.8Å; R102-K104 PolarHBondContact O-N 3.04Å
103E48.8Very low51.1Low187 Ų187150.3 Ų150.387%0.87475%0.75SS**  trans-50.6116.5167.7-165.8154.1127.200107.9D101 Q105D101-E103 PolarHBondContact O-N 2.86Å; E103-Q105 VanDerWaalsContact C-N 3.34Å; E103-Q105 PolarHBondContact O-N 3.42Å
104K47.7Very low50.9Low199 Ų199153.2 Ų153.287%0.86577%0.767SS**  trans-65.196.8-178.4-79.3176.7178.1177.30107.6R102R102-K104 PolarHBondContact O-N 3.04Å
105Q48.4Very low50.6Low114 Ų114150 Ų15053%0.53377%0.765SS.*PPolyproline II helixtrans-60.4127.5175.5-157.2163.61.500108.8E103E103-Q105 VanDerWaalsContact C-N 3.34Å; E103-Q105 PolarHBondContact O-N 3.42Å
106P44.4Very low50.2Low75 Ų75150.8 Ų150.849%0.48776%0.762SS.*PPolyproline II helixtrans-62.2148.5-175.421.4-30.8000111.4G108P106-G108 PolarHBondContact O-N 2.94Å
107P50.8Low49.8Very low140 Ų140149.8 Ų149.891%0.90976%0.76SS**THydrogen-bonded Turntrans-59.8127.7-175.224.3-32.8000110.5
108G55Low49.6Very low79 Ų79148.1 Ų148.181%0.81477%0.766SS**THydrogen-bonded Turntrans113.3-2.5170.600000116.7P106P106-G108 PolarHBondContact O-N 2.94Å
109Q52.4Low49.7Very low116 Ų116145.3 Ų145.354%0.54276%0.762SS.*  trans-84.6128.2172.5-70.7-179.212.800111.6
110P50.6Low49.6Very low110 Ų110146.1 Ų146.171%0.71476%0.755SS**  trans-65.1139.6174.625.5-31000110.3Q112P110-Q112 PolarHBondContact O-N 3.04Å
111C52.2Low49.4Very low64 Ų64144.7 Ų144.743%0.43275%0.754SS.*  trans-66.7107177-690000108.9K57 H113K57-C111 WeakPolarHBondContact CE-SG 3.34Å; K57-C111 PolarHBondContact NZ-SG 3.29Å; K57-C111 VanDerWaalsContact NZ-SG 3.42Å; C111-H113 PolarHBondContact O-N 2.94Å
112Q45Very low49.3Very low178 Ų178144.2 Ų144.283%0.83275%0.75SS**  trans-7499.5161.3-63.4-177.8-8.100105.9P110P110-Q112 PolarHBondContact O-N 3.04Å
113H42.2Very low48.9Very low263 Ų263138.6 Ų138.6100%1.21875%0.747SS**  trans168.50156.2-82.8114.8000107.8C111C111-H113 PolarHBondContact O-N 2.94Å

Retrieved 113 of 113 residues in 59.6 ms (Link to these results)