A0A5K4F4E1_SCHMA Loading...

DNA-directed RNA polymerase I subunit H

Core component of RNA polymerase I (Pol I), a DNA-dependent RNA polymerase which synthesizes ribosomal RNA precursors using the four ribonucleoside triphosphates as substrates. Can mediate Pol I proofreading of the nascent RNA transcript. Anchors into the Pol I active site to monitor transcription fidelity and cleave mis-incorporated 5'-ribonucleotides.

AlphaFold DB , UniProt , Accession A0A5K4F4E1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 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
1M46.5Very low58.2Low233 Ų233162.4 Ų162.4100%1.14882%0.818SS**  0114.10-71.6174.3179.200108R3M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.09Å
2I55.7Low59.5Low182 Ų182157.8 Ų157.893%0.93379%0.792SS**  trans-77.998.6-160.7-46.7165.5000108.8
3R54.2Low61Low242 Ų242152.6 Ų152.691%0.91377%0.766SS**  trans-89.8120.4175.6-66.9179.9177.3-169.1-0.7108.4M1M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.09Å
4G49.9Very low62.5Low81 Ų81145.5 Ų145.584%0.83574%0.743SS**  trans116.675.8162.300000113.9
5A56.8Low63.8Low92 Ų92144.1 Ų144.176%0.7674%0.737SS**  trans-132145.5158.600000107.2
6K59.5Low65.1Low202 Ų202144.3 Ų144.388%0.87873%0.731SS**  trans90.170.8179.4-52.1179.8174.7-168.10115.8
7K57.1Low66.2Low211 Ų211142.8 Ų142.892%0.91772%0.721SS**  trans-125.119.5153-73.9-166.2-180-178.50113.6
8I60.2Low67.2Low127 Ų127137.4 Ų137.465%0.65170%0.701SS**  trans-12282.6176.8-49.9170.5000106.9
9L63.9Low67.9Low123 Ų123135.7 Ų135.764%0.64469%0.694SS**SBendtrans-135.6-15.4170.5-157.868000113I13L9-I13 WeakPolarHBondContact O-CD1 3.41Å
10R66.9Low68.5Low228 Ų228135 Ų13586%0.8669%0.687SS**Hα-helixtrans-81.3-35.3-176.1-41.3-172.6-166.8-169.22.6112.3A14R10-A14 PolarHBondContact O-N 2.88Å
11S69.6Low68.9Low65 Ų65131.6 Ų131.646%0.45568%0.676SS.*Hα-helixtrans-72.1-34.8-174.850.40000113.2L15S11-L15 PolarHBondContact O-N 3.23Å; S11-L15 VanDerWaalsContact O-N 3.12Å
12E74.1Confident70Confident108 Ų108126.7 Ų126.751%0.50565%0.65SS.*Hα-helixtrans-69.9-36.4-179-64.7174.1113.200112K16E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 2.83Å
13I78.5Confident70.6Confident90 Ų90124.6 Ų124.646%0.46263%0.634SS.*Hα-helixtrans-67.5-49.4178-60.6170.3000109.7L9 L15 K16 E17L9-I13 WeakPolarHBondContact O-CD1 3.41Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.39Å; I13-K16 WeakPolarHBondContact O-CB 3.21Å; I13-K16 PolarHBondContact O-N 3.1Å; I13-E17 HydrophobicContact CG2-CG 4.42Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.28Å
14A82.3Confident70.9Confident53 Ų53120.3 Ų120.344%0.43862%0.624SS.*Hα-helixtrans-60.7-35.1179.100000112.9R10 A18R10-A14 PolarHBondContact O-N 2.88Å; A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 3.44Å; A14-A18 VanDerWaalsContact O-N 3.12Å
15L81.4Confident71.4Confident125 Ų125121.3 Ų121.365%0.65461%0.611SS**Hα-helixtrans-66.3-37.5174.2-92.6162.6000112.6S11 I13 L19S11-L15 PolarHBondContact O-N 3.23Å; S11-L15 VanDerWaalsContact O-N 3.12Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.39Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 PolarHBondContact O-N 2.66Å; L15-L19 VanDerWaalsContact O-N 3.13Å
16K85Confident71.3Confident146 Ų146120 Ų12064%0.63560%0.596SS**Hα-helixtrans-69-47.3177.2-74.7-175.9174.3-159.20111.9E12 I13 A18 L19 E20E12-K16 WeakPolarHBondContact O-CG 3.36Å; E12-K16 PolarHBondContact O-N 2.83Å; I13-K16 WeakPolarHBondContact O-CB 3.21Å; I13-K16 PolarHBondContact O-N 3.1Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; K16-L19 WeakPolarHBondContact O-CB 3.41Å; K16-L19 PolarHBondContact O-N 2.77Å; K16-E20 WeakPolarHBondContact O-CG 3.44Å; K16-E20 PolarHBondContact O-N 3.17Å
17E84.1Confident71.2Confident120 Ų120116.2 Ų116.256%0.56159%0.59SS**Hα-helixtrans-59.9-41.4178.5-66.6173.3136.200111.3I13 L19 E20 S21I13-E17 HydrophobicContact CG2-CG 4.42Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.28Å; E17-L19 PolarHBondContact O-N 2.79Å; E17-E20 PolarHBondContact O-N 3.46Å; E17-S21 PolarHBondContact O-N 3.08Å; E17-S21 PolarHBondContact O-OG 3.28Å
18A83.3Confident71Confident45 Ų45110.5 Ų110.537%0.37258%0.576SS.*Hα-helixtrans-63.6-39.617500000112.3A14 K16 S21 Q22A14-A18 WeakPolarHBondContact O-CB 3.31Å; A14-A18 PolarHBondContact O-N 3.44Å; A14-A18 VanDerWaalsContact O-N 3.12Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; A18-S21 PolarHBondContact O-OG 3.43Å; A18-Q22 WeakPolarHBondContact O-CG 3.48Å; A18-Q22 PolarHBondContact O-N 2.85Å
19L81Confident70.7Confident106 Ų106110.7 Ų110.756%0.55558%0.575SS**Hα-helixtrans-65.6-46.7176.6-166.7106000111.3L15 K16 E17 S21 Q22 F23L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 PolarHBondContact O-N 2.66Å; L15-L19 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CB 3.41Å; K16-L19 PolarHBondContact O-N 2.77Å; E17-L19 PolarHBondContact O-N 2.79Å; L19-S21 PolarHBondContact O-N 2.76Å; L19-Q22 PolarHBondContact O-N 3.16Å; L19-F23 HydrophobicContact CD2-CE2 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; L19-F23 HydrophobicContact CG-CE2 4.2Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.23Å
20E79.8Confident70.2Confident121 Ų121109.6 Ų109.657%0.56558%0.577SS**Hα-helixtrans-59.5-45.2179.1-71.4173.3112.800111.5K16 E17 Q22 F23 E24K16-E20 WeakPolarHBondContact O-CG 3.44Å; K16-E20 PolarHBondContact O-N 3.17Å; E17-E20 PolarHBondContact O-N 3.46Å; E20-Q22 PolarHBondContact O-N 2.88Å; E20-F23 PolarHBondContact O-N 3.33Å; E20-F23 VanDerWaalsContact O-N 3.11Å; E20-E24 PolarHBondContact O-N 3.47Å
21S76Confident69.8Low64 Ų64104.3 Ų104.345%0.44857%0.571SS.*Hα-helixtrans-60.6-30.6178.5720000113.7E17 A18 L19 N25E17-S21 PolarHBondContact O-N 3.08Å; E17-S21 PolarHBondContact O-OG 3.28Å; A18-S21 PolarHBondContact O-OG 3.43Å; L19-S21 PolarHBondContact O-N 2.76Å; S21-N25 PolarHBondContact O-N 3.05Å
22Q70.5Confident69.3Low130 Ų130109.7 Ų109.761%0.60759%0.586SS**Hα-helixtrans-72.9-35.4177.5-71.2-176.927.200112.4A18 L19 E20 S26A18-Q22 WeakPolarHBondContact O-CG 3.48Å; A18-Q22 PolarHBondContact O-N 2.85Å; L19-Q22 PolarHBondContact O-N 3.16Å; E20-Q22 PolarHBondContact O-N 2.88Å; Q22-S26 WeakPolarHBondContact O-CB 3.43Å; Q22-S26 PolarHBondContact O-N 3.25Å; Q22-S26 PolarHBondContact O-OG 3.46Å
23F67.4Low69.1Low138 Ų138107.7 Ų107.761%0.60558%0.579SS**Hα-helixtrans-67.4-40.9177.5-87.8-85.2000111.8L19 E20 S26 T27L19-F23 HydrophobicContact CD2-CE2 4.12Å; L19-F23 HydrophobicContact CG-CD2 4.44Å; L19-F23 HydrophobicContact CG-CE2 4.2Å; L19-F23 WeakPolarHBondContact O-CD2 3.28Å; L19-F23 PolarHBondContact O-N 3.23Å; E20-F23 PolarHBondContact O-N 3.33Å; E20-F23 VanDerWaalsContact O-N 3.11Å; F23-S26 PolarHBondContact O-N 3.26Å; F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 VanDerWaalsContact O-N 3.11Å; F23-T27 PolarHBondContact O-OG1 3.28Å
24E62.5Low69.4Low151 Ų151104.2 Ų104.271%0.70657%0.565SS**Hα-helixtrans-64.9-41.9177.2-65.2-173.2120.200111.8E20 T27 S28E20-E24 PolarHBondContact O-N 3.47Å; E24-T27 PolarHBondContact O-N 3.5Å; E24-S28 PolarHBondContact O-OG 2.83Å
25N59Low69.8Low103 Ų103104.7 Ų104.755%0.55156%0.564SS**Hα-helixtrans-69.6-33.5177.2-165.973.8000112.3S21 S28 Q29S21-N25 PolarHBondContact O-N 3.05Å; N25-S28 PolarHBondContact O-N 3.11Å; N25-S28 PolarHBondContact O-OG 3.47Å; N25-S28 VanDerWaalsContact O-OG 3.05Å; N25-Q29 WeakPolarHBondContact O-CB 3.29Å; N25-Q29 PolarHBondContact O-N 3.04Å; N25-Q29 VanDerWaalsContact O-N 3.16Å
26S55.9Low70.2Confident64 Ų64102.5 Ų102.545%0.44856%0.559SS.*Hα-helixtrans-70.2-33.2178.4-58.60000112.4Q22 F23 S28 Q29Q22-S26 WeakPolarHBondContact O-CB 3.43Å; Q22-S26 PolarHBondContact O-N 3.25Å; Q22-S26 PolarHBondContact O-OG 3.46Å; F23-S26 PolarHBondContact O-N 3.26Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.21Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.44Å
27T55.7Low70.6Confident123 Ų12399.2 Ų99.276%0.75555%0.548SS*.Hα-helixtrans-68.6-33.7179.3-52.90000111.8F23 E24 Q29F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 VanDerWaalsContact O-N 3.11Å; F23-T27 PolarHBondContact O-OG1 3.28Å; E24-T27 PolarHBondContact O-N 3.5Å; T27-Q29 VanDerWaalsContact C-N 3.35Å
28S53.4Low71Confident90 Ų90102.5 Ų102.563%0.62956%0.555SS**Hα-helixtrans-83.7-12.8175.848.10000113.2E24 N25 S26 S30E24-S28 PolarHBondContact O-OG 2.83Å; N25-S28 PolarHBondContact O-N 3.11Å; N25-S28 PolarHBondContact O-OG 3.47Å; N25-S28 VanDerWaalsContact O-OG 3.05Å; S26-S28 VanDerWaalsContact C-N 3.32Å; S26-S28 PolarHBondContact O-N 3.21Å; S28-S30 PolarHBondContact O-N 3.49Å
29Q54.4Low71.4Confident132 Ų132103.2 Ų103.262%0.61755%0.549SS*.SBendtrans-78.472.5175.3-158.6173.42800109.1N25 S26 T27 T31N25-Q29 WeakPolarHBondContact O-CB 3.29Å; N25-Q29 PolarHBondContact O-N 3.04Å; N25-Q29 VanDerWaalsContact O-N 3.16Å; S26-Q29 WeakPolarHBondContact O-CB 3.24Å; S26-Q29 PolarHBondContact O-N 3.44Å; T27-Q29 VanDerWaalsContact C-N 3.35Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 2.98Å
30S54Low71.9Confident99 Ų99104.3 Ų104.369%0.69255%0.552SS**  trans0.481.7159.2166.10000111.2S28 F32S28-S30 PolarHBondContact O-N 3.49Å; S30-F32 VanDerWaalsContact C-N 3.3Å; S30-F32 PolarHBondContact O-N 2.94Å
31T58.1Low72.3Confident118 Ų11898.6 Ų98.672%0.72453%0.525SS*.  trans-59.2107.7173.3-500000103.3Q29 D33Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 2.98Å; T31-D33 PolarHBondContact O-N 3.38Å
32F58.9Low72.9Confident177 Ų17799.3 Ų99.378%0.77654%0.535SS*.  trans-69.585.5-173178.2-97000106.4S30 G34S30-F32 VanDerWaalsContact C-N 3.3Å; S30-F32 PolarHBondContact O-N 2.94Å; F32-G34 PolarHBondContact O-N 2.56Å
33D70Confident73.7Confident67 Ų67100.6 Ų100.636%0.35854%0.535SS..  trans-81.725.6-170.1-166.452.9000111.4T31 T50T31-D33 PolarHBondContact O-N 3.38Å; D33-T50 HydrophobicContact CB-CG2 3.77Å; D33-T50 WeakPolarHBondContact O-CB 3.44Å; D33-T50 WeakPolarHBondContact O-CG2 3.36Å; D33-T50 PolarHBondContact O-OG1 3.35Å; D33-T50 WeakPolarHBondContact OD2-CB 3.41Å; D33-T50 PolarHBondContact OD2-OG1 3.12Å
34G84.6Confident74.7Confident17 Ų1796.4 Ų96.418%0.17552%0.523CS..SBendtrans86.6-172.6-178.300000114.5F32F32-G34 PolarHBondContact O-N 2.56Å
35P91.3Very high75.9Confident63 Ų6391.4 Ų91.441%0.40951%0.512SS..  trans-64.7136.1-179.828.3-34.7000110.8T50 Y51P35-T50 CarbonylContact O-C 3.49Å; P35-T50 VanDerWaalsContact O-CA 3.23Å; P35-T50 WeakPolarHBondContact O-CA 3.34Å; P35-Y51 HydrophobicContact CB-CD1 4.31Å; P35-Y51 HydrophobicContact CB-CE1 3.63Å; P35-Y51 WeakPolarHBondContact CD-O 3.32Å; P35-Y51 HydrophobicContact CG-CD1 4.04Å; P35-Y51 HydrophobicContact CG-CD2 4.32Å; P35-Y51 HydrophobicContact CG-CE1 3.62Å; P35-Y51 HydrophobicContact CG-CE2 3.92Å; P35-Y51 HydrophobicContact CG-CG 4.36Å; P35-Y51 WeakPolarHBondContact CG-O 3.41Å; P35-Y51 VanDerWaalsContact O-CD1 3.29Å; P35-Y51 WeakPolarHBondContact O-CD1 3.48Å; P35-Y51 PolarHBondContact O-N 3.02Å
36S90.2Very high77.3Confident79 Ų7988.2 Ų88.255%0.55250%0.495SS*.EExtended strand (participates in β ladder)trans-100.1143.4178.3-56.70000112.1M49S36-M49 CarbonylContact C-O 3.55Å; S36-M49 WeakPolarHBondContact CA-O 3.47Å
37I92.9Very high79Confident77 Ų7788.5 Ų88.540%0.39549%0.491SS..EExtended strand (participates in β ladder)trans-126.8157.2175.9-167.9161.2000110.5K39 M49 Y51 Y67I37-K39 HydrophobicContact CG2-CB 4.14Å; I37-K39 PolarHBondContact O-N 2.8Å; I37-M49 PolarHBondContact N-O 3.05Å; I37-M49 PolarHBondContact O-N 2.99Å; I37-M49 VanDerWaalsContact O-N 3.1Å; I37-Y51 HydrophobicContact CB-CD1 4.2Å; I37-Y51 HydrophobicContact CB-CE1 4.42Å; I37-Y51 HydrophobicContact CG2-CD1 4.12Å; I37-Y67 HydrophobicContact CG2-CD1 4.21Å; I37-Y67 HydrophobicContact CG2-CE1 4.13Å
38R92.6Very high80.6Confident188 Ų18889.6 Ų89.671%0.70948%0.482SS*.EExtended strand (participates in β ladder)trans-79.498.8170.7-71.9-178.1178.9-99.311.2109.6D47R38-D47 CarbonylContact C-O 3.42Å; R38-D47 WeakPolarHBondContact CA-O 3.15Å; R38-D47 IonicContact NH1-OD1 2.77Å; R38-D47 PolarHBondContact NH1-OD1 3.42Å; R38-D47 VanDerWaalsContact NH1-OD1 3.09Å
39K90Very high82.5Confident60 Ų6085.3 Ų85.326%0.26145%0.452SS..  trans-148128.9178.4-170-94.1179.1-155.90107.7I37 C41 D47 M49 E76I37-K39 HydrophobicContact CG2-CB 4.14Å; I37-K39 PolarHBondContact O-N 2.8Å; K39-C41 PolarHBondContact O-N 2.79Å; K39-D47 PolarHBondContact N-O 3.21Å; K39-D47 CarbonylContact O-C 3.54Å; K39-D47 VanDerWaalsContact O-C 3.23Å; K39-M49 HydrophobicContact CD-CG 4.32Å; K39-M49 HydrophobicContact CD-SD 3.36Å; K39-M49 WeakPolarHBondContact CD-SD 3.46Å; K39-M49 WeakPolarHBondContact O-CG 3.04Å; K39-E76 IonicContact NZ-OE1 2.66Å; K39-E76 PolarHBondContact NZ-OE1 2.72Å; K39-E76 IonicContact NZ-OE2 3.09Å; K39-E76 PolarHBondContact NZ-OE2 2.91Å
40E91.7Very high84.2Confident129 Ų12979.2 Ų79.260%0.60342%0.423SS*.  trans-74.2124.6-179.4-168.8177.688.800110.7A42 N46E40-A42 PolarHBondContact O-N 2.69Å; E40-N46 CarbonylContact C-O 3.52Å; E40-N46 VanDerWaalsContact CA-O 3.31Å; E40-N46 WeakPolarHBondContact CA-O 3.23Å
41C89.8Confident86Confident1 Ų178.4 Ų78.41%0.00741%0.406CS..  trans-73.8120.8172.7178.30000109.8K39 Y43 C44 G45 N46 M49 C69K39-C41 PolarHBondContact O-N 2.79Å; C41-Y43 PolarHBondContact O-N 2.74Å; C41-Y43 VanDerWaalsContact O-N 3.08Å; C41-C44 VanDerWaalsContact CB-SG 3.57Å; C41-C44 PolarHBondContact O-N 3.11Å; C41-G45 WeakPolarHBondContact O-CA 3.35Å; C41-G45 PolarHBondContact O-N 3.34Å; C41-N46 HydrophobicContact CB-CB 4.44Å; C41-N46 PolarHBondContact N-O 2.8Å; C41-M49 HydrophobicContact CB-CG 4.3Å; C41-M49 HydrophobicContact CB-SD 3.87Å; C41-C69 HydrophobicContact CB-CB 4.23Å
42A87.2Confident87.7Confident80 Ų8075.8 Ų75.866%0.66139%0.389SS*.THydrogen-bonded Turntrans-62.1-20.2-178.100000113.9E40E40-A42 PolarHBondContact O-N 2.69Å
43Y87.1Confident89.2Confident156 Ų15670.9 Ų70.961%0.61237%0.374SS*.THydrogen-bonded Turntrans-88.2-32.7-177-62.1-82.8000113.9C41 E74 E76C41-Y43 PolarHBondContact O-N 2.74Å; C41-Y43 VanDerWaalsContact O-N 3.08Å; Y43-E74 HydrophobicContact CD2-CB 3.94Å; Y43-E74 HydrophobicContact CD2-CG 4.16Å; Y43-E74 HydrophobicContact CE2-CB 4.3Å; Y43-E74 HydrophobicContact CG-CB 4.46Å; Y43-E74 HydrophobicContact CG-CG 4.2Å; Y43-E76 HydrophobicContact CE2-CG 4.43Å
44C88.2Confident90.2Very high51 Ų5170.1 Ų70.135%0.34537%0.371SS..THydrogen-bonded Turntrans-130.2-7.2-172.264.50000114.9C41 N46 F72C41-C44 VanDerWaalsContact CB-SG 3.57Å; C41-C44 PolarHBondContact O-N 3.11Å; C44-N46 PolarHBondContact O-N 2.97Å; C44-N46 VanDerWaalsContact SG-CB 3.52Å; C44-F72 HydrophobicContact CB-CD2 3.62Å; C44-F72 HydrophobicContact CB-CE2 3.38Å
45G87.9Confident90.5Very high45 Ų4575.2 Ų75.246%0.46439%0.391SS..  trans71.714.4-177.300000114.4C41C41-G45 WeakPolarHBondContact O-CA 3.35Å; C41-G45 PolarHBondContact O-N 3.34Å
46N88.2Confident90.2Very high36 Ų3676.5 Ų76.519%0.19340%0.398CS..  trans-73128.5176.7179.537.9000110.8E40 C41 C44 R48 T70 Q71E40-N46 CarbonylContact C-O 3.52Å; E40-N46 VanDerWaalsContact CA-O 3.31Å; E40-N46 WeakPolarHBondContact CA-O 3.23Å; C41-N46 HydrophobicContact CB-CB 4.44Å; C41-N46 PolarHBondContact N-O 2.8Å; C44-N46 PolarHBondContact O-N 2.97Å; C44-N46 VanDerWaalsContact SG-CB 3.52Å; N46-R48 PolarHBondContact ND2-O 2.9Å; N46-R48 PolarHBondContact O-N 3.46Å; N46-T70 PolarHBondContact ND2-OG1 3.39Å; N46-Q71 HydrophobicContact CB-CG 4.08Å; N46-Q71 WeakPolarHBondContact ND2-CG 3.38Å
47D91.8Very high90.1Very high71 Ų7178.6 Ų78.638%0.3839%0.394SS..SBendtrans-73.3-4.8-178-172.5-114000113.6R38 K39R38-D47 CarbonylContact C-O 3.42Å; R38-D47 WeakPolarHBondContact CA-O 3.15Å; R38-D47 IonicContact NH1-OD1 2.77Å; R38-D47 PolarHBondContact NH1-OD1 3.42Å; R38-D47 VanDerWaalsContact NH1-OD1 3.09Å; K39-D47 PolarHBondContact N-O 3.21Å; K39-D47 CarbonylContact O-C 3.54Å; K39-D47 VanDerWaalsContact O-C 3.23Å
48R90.1Very high89.9Confident146 Ų14678.3 Ų78.355%0.55140%0.398SS*.EExtended strand (participates in β ladder)trans-121.2128.4-176.3-66.4-176.7-179.1177.80.5112.2N46 T70N46-R48 PolarHBondContact ND2-O 2.9Å; N46-R48 PolarHBondContact O-N 3.46Å; R48-T70 HydrophobicContact CB-CG2 4.35Å; R48-T70 PolarHBondContact O-OG1 3.05Å
49M92.3Very high89.3Confident0 Ų073.9 Ų73.90%040%0.402CS..EExtended strand (participates in β ladder)trans-133.9145.8172.1-64.2-171.271.400109.3S36 I37 K39 C41 T68 C69 E76S36-M49 CarbonylContact C-O 3.55Å; S36-M49 WeakPolarHBondContact CA-O 3.47Å; I37-M49 PolarHBondContact N-O 3.05Å; I37-M49 PolarHBondContact O-N 2.99Å; I37-M49 VanDerWaalsContact O-N 3.1Å; K39-M49 HydrophobicContact CD-CG 4.32Å; K39-M49 HydrophobicContact CD-SD 3.36Å; K39-M49 WeakPolarHBondContact CD-SD 3.46Å; K39-M49 WeakPolarHBondContact O-CG 3.04Å; C41-M49 HydrophobicContact CB-CG 4.3Å; C41-M49 HydrophobicContact CB-SD 3.87Å; M49-T68 CarbonylContact C-O 3.41Å; M49-T68 VanDerWaalsContact CA-O 3.3Å; M49-T68 WeakPolarHBondContact CA-O 3.44Å; M49-T68 WeakPolarHBondContact CB-O 3.27Å; M49-C69 HydrophobicContact CE-CB 4.09Å; M49-E76 HydrophobicContact CE-CG 4.44Å; M49-E76 VanDerWaalsContact CE-OE2 3.24Å; M49-E76 WeakPolarHBondContact CE-OE2 3.48Å
50T92Very high89.1Confident4 Ų478.5 Ų78.53%0.02543%0.43CS..EExtended strand (participates in β ladder)trans-83.6156.916855.10000109.7D33 P35 Y67 T68 T70D33-T50 HydrophobicContact CB-CG2 3.77Å; D33-T50 WeakPolarHBondContact O-CB 3.44Å; D33-T50 WeakPolarHBondContact O-CG2 3.36Å; D33-T50 PolarHBondContact O-OG1 3.35Å; D33-T50 WeakPolarHBondContact OD2-CB 3.41Å; D33-T50 PolarHBondContact OD2-OG1 3.12Å; P35-T50 CarbonylContact O-C 3.49Å; P35-T50 VanDerWaalsContact O-CA 3.23Å; P35-T50 WeakPolarHBondContact O-CA 3.34Å; T50-Y67 CarbonylContact O-C 3.45Å; T50-Y67 WeakPolarHBondContact O-CA 3.42Å; T50-T68 PolarHBondContact N-O 3.13Å; T50-T68 PolarHBondContact O-N 3.43Å; T50-T68 WeakPolarHBondContact OG1-CB 3.38Å; T50-T68 PolarHBondContact OG1-O 3.02Å; T50-T68 VanDerWaalsContact OG1-O 3.05Å; T50-T70 HydrophobicContact CG2-CG2 3.8Å
51Y91.8Very high88.5Confident82 Ų8277.6 Ų77.632%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-136.2147.3175.472.3-85.5000112P35 I37 V65 I66 Y67P35-Y51 HydrophobicContact CB-CD1 4.31Å; P35-Y51 HydrophobicContact CB-CE1 3.63Å; P35-Y51 WeakPolarHBondContact CD-O 3.32Å; P35-Y51 HydrophobicContact CG-CD1 4.04Å; P35-Y51 HydrophobicContact CG-CD2 4.32Å; P35-Y51 HydrophobicContact CG-CE1 3.62Å; P35-Y51 HydrophobicContact CG-CE2 3.92Å; P35-Y51 HydrophobicContact CG-CG 4.36Å; P35-Y51 WeakPolarHBondContact CG-O 3.41Å; P35-Y51 VanDerWaalsContact O-CD1 3.29Å; P35-Y51 WeakPolarHBondContact O-CD1 3.48Å; P35-Y51 PolarHBondContact O-N 3.02Å; I37-Y51 HydrophobicContact CB-CD1 4.2Å; I37-Y51 HydrophobicContact CB-CE1 4.42Å; I37-Y51 HydrophobicContact CG2-CD1 4.12Å; Y51-V65 HydrophobicContact CD2-CG1 4.18Å; Y51-I66 CarbonylContact C-O 3.5Å; Y51-I66 VanDerWaalsContact CA-O 3.27Å; Y51-I66 WeakPolarHBondContact CA-O 3.49Å; Y51-Y67 HydrophobicContact CG-CE1 4.4Å
52V92.1Very high88.3Confident63 Ų6379 Ų7938%0.38244%0.439SS..EExtended strand (participates in β ladder)trans-132.5138.1172.7-62.40000109.6V65 I66V52-V65 WeakPolarHBondContact O-CA 3.45Å; V52-I66 HydrophobicContact CG2-CB 3.85Å; V52-I66 PolarHBondContact N-O 3.2Å; V52-I66 PolarHBondContact O-N 3.27Å
53T91.9Very high88.5Confident73 Ų7378.8 Ų78.845%0.44843%0.425SS..EExtended strand (participates in β ladder)trans-99123.6176.955.70000109.2T64 V65T53-T64 CarbonylContact C-O 3.58Å; T53-T64 WeakPolarHBondContact CA-O 3.49Å; T53-V65 HydrophobicContact CG2-CG2 4.24Å
54V91.4Very high88.7Confident51 Ų5171.6 Ų71.631%0.30940%0.397SS..EExtended strand (participates in β ladder)trans-129.4137.6-178-66.50000110.8T56 T64 I66V54-T56 HydrophobicContact CB-CG2 4.42Å; V54-T56 HydrophobicContact CG2-CG2 3.8Å; V54-T56 PolarHBondContact O-N 2.79Å; V54-T64 HydrophobicContact CG2-CG2 4.48Å; V54-T64 PolarHBondContact N-O 3.12Å; V54-T64 PolarHBondContact O-N 2.87Å; V54-I66 HydrophobicContact CG2-CD1 3.54Å; V54-I66 HydrophobicContact CG2-CG1 3.94Å
55Q89.6Confident88.9Confident124 Ų12469.9 Ų69.958%0.57939%0.385SS*.  trans-87.996.1174.1-149.186.270.800108.4G62 Q63Q55-G62 VanDerWaalsContact NE2-C 3.28Å; Q55-G62 PolarHBondContact NE2-O 3.38Å; Q55-Q63 VanDerWaalsContact NE2-CA 3.32Å
56T86.3Confident89.2Confident91 Ų9169.3 Ų69.356%0.55837%0.371SS*.  trans-97.5-15179.455.80000112.9V54 T64V54-T56 HydrophobicContact CB-CG2 4.42Å; V54-T56 HydrophobicContact CG2-CG2 3.8Å; V54-T56 PolarHBondContact O-N 2.79Å; T56-T64 PolarHBondContact OG1-OG1 2.9Å
57R86.9Confident89.4Confident123 Ų12369.2 Ų69.246%0.46437%0.368SS..SBendtrans-121.4176.9-174.6-58.2-173.3-170-1724.9111.5E61 N79R57-E61 HydrophobicContact CB-CB 4Å; R57-N79 PolarHBondContact NH2-OD1 3.04Å
58S88.5Confident89.4Confident70 Ų7066.2 Ų66.249%0.4935%0.353SS..  trans-53.4152.6177.3-46.50000111.2D60 E61S58-D60 PolarHBondContact O-N 2.81Å; S58-E61 PolarHBondContact O-N 2.76Å; S58-E61 PolarHBondContact OG-OE2 2.82Å
59A80.9Confident89.4Confident96 Ų9659.5 Ų59.579%0.79333%0.328SS*.THydrogen-bonded Turntrans-57.4-25.3-17800000113.5
60D85.7Confident89.1Confident157 Ų15762.1 Ų62.184%0.8434%0.344SS*.THydrogen-bonded Turntrans-79.6-17178.1-57.6-67000114.1S58S58-D60 PolarHBondContact O-N 2.81Å
61E78.4Confident88.7Confident110 Ų11068.1 Ų68.151%0.51437%0.372SS..SBendtrans-102.117.2-166.8-64.1-176108.800114.4R57 S58R57-E61 HydrophobicContact CB-CB 4Å; S58-E61 PolarHBondContact O-N 2.76Å; S58-E61 PolarHBondContact OG-OE2 2.82Å
62G86.6Confident88.2Confident29 Ų2969.9 Ų69.930%0.29938%0.381SS..  trans74.8179.1178.100000114.1Q55Q55-G62 VanDerWaalsContact NE2-C 3.28Å; Q55-G62 PolarHBondContact NE2-O 3.38Å
63Q90.1Very high87.6Confident77 Ų7771.9 Ų71.936%0.3640%0.398SS..PPolyproline II helixtrans-101.6155-18068.1179.24.700111.1Q55 T80Q55-Q63 VanDerWaalsContact NE2-CA 3.32Å; Q63-T80 HydrophobicContact CG-CG2 3.82Å; Q63-T80 WeakPolarHBondContact O-CG2 3.45Å; Q63-T80 PolarHBondContact O-N 3.19Å
64T92.1Very high87.3Confident5 Ų572.7 Ų72.73%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-100.7131173.4-58.50000109.6T53 V54 T56 I66 I77 N79T53-T64 CarbonylContact C-O 3.58Å; T53-T64 WeakPolarHBondContact CA-O 3.49Å; V54-T64 HydrophobicContact CG2-CG2 4.48Å; V54-T64 PolarHBondContact N-O 3.12Å; V54-T64 PolarHBondContact O-N 2.87Å; T56-T64 PolarHBondContact OG1-OG1 2.9Å; T64-I66 HydrophobicContact CG2-CG1 4.3Å; T64-I77 HydrophobicContact CG2-CG2 3.25Å; T64-N79 PolarHBondContact OG1-OD1 2.82Å
65V93.4Very high87.2Confident14 Ų1475.7 Ų75.79%0.08541%0.406CS..EExtended strand (participates in β ladder)trans-99.9123.6173.8-169.40000108.2Y51 V52 T53 Y67 E78Y51-V65 HydrophobicContact CD2-CG1 4.18Å; V52-V65 WeakPolarHBondContact O-CA 3.45Å; T53-V65 HydrophobicContact CG2-CG2 4.24Å; V65-Y67 HydrophobicContact CB-CE2 4.29Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 4Å; V65-Y67 HydrophobicContact CG1-CE2 3.92Å; V65-E78 PolarHBondContact N-O 2.95Å; V65-E78 PolarHBondContact O-N 3.02Å; V65-E78 VanDerWaalsContact O-O 3.11Å
66I92.7Very high87.1Confident34 Ų3472 Ų7217%0.17439%0.389CS..EExtended strand (participates in β ladder)trans-108.8116.7176.2-55.6176.3000107.7Y51 V52 V54 T64 K75 E76 I77Y51-I66 CarbonylContact C-O 3.5Å; Y51-I66 VanDerWaalsContact CA-O 3.27Å; Y51-I66 WeakPolarHBondContact CA-O 3.49Å; V52-I66 HydrophobicContact CG2-CB 3.85Å; V52-I66 PolarHBondContact N-O 3.2Å; V52-I66 PolarHBondContact O-N 3.27Å; V54-I66 HydrophobicContact CG2-CD1 3.54Å; V54-I66 HydrophobicContact CG2-CG1 3.94Å; T64-I66 HydrophobicContact CG2-CG1 4.3Å; I66-K75 HydrophobicContact CG2-CB 4.22Å; I66-K75 HydrophobicContact CG2-CD 4.42Å; I66-E76 CarbonylContact C-O 3.53Å; I66-I77 HydrophobicContact CG1-CG1 4.26Å; I66-I77 HydrophobicContact CG1-CG2 4.42Å; I66-I77 HydrophobicContact CG2-CG1 4.37Å
67Y93.1Very high87.3Confident33 Ų3373.1 Ų73.113%0.12939%0.39CS..EExtended strand (participates in β ladder)trans-90.5131.8172.5-57.5-83.1000109.8I37 T50 Y51 V65 K75 E76 E78I37-Y67 HydrophobicContact CG2-CD1 4.21Å; I37-Y67 HydrophobicContact CG2-CE1 4.13Å; T50-Y67 CarbonylContact O-C 3.45Å; T50-Y67 WeakPolarHBondContact O-CA 3.42Å; Y51-Y67 HydrophobicContact CG-CE1 4.4Å; V65-Y67 HydrophobicContact CB-CE2 4.29Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 4Å; V65-Y67 HydrophobicContact CG1-CE2 3.92Å; Y67-K75 CarbonylContact O-C 3.23Å; Y67-K75 VanDerWaalsContact O-CA 3.23Å; Y67-K75 WeakPolarHBondContact O-CA 3.42Å; Y67-E76 PolarHBondContact N-O 3.09Å; Y67-E76 PolarHBondContact O-N 3.23Å; Y67-E78 HydrophobicContact CD2-CB 4.39Å; Y67-E78 HydrophobicContact CE2-CB 3.73Å; Y67-E78 PolarHBondContact OH-OE1 2.89Å
68T91.3Very high87.3Confident9 Ų972.2 Ų72.26%0.05539%0.391CS..EExtended strand (participates in β ladder)trans-116.3136.7173-570000109.2M49 T50 K75M49-T68 CarbonylContact C-O 3.41Å; M49-T68 VanDerWaalsContact CA-O 3.3Å; M49-T68 WeakPolarHBondContact CA-O 3.44Å; M49-T68 WeakPolarHBondContact CB-O 3.27Å; T50-T68 PolarHBondContact N-O 3.13Å; T50-T68 PolarHBondContact O-N 3.43Å; T50-T68 WeakPolarHBondContact OG1-CB 3.38Å; T50-T68 PolarHBondContact OG1-O 3.02Å; T50-T68 VanDerWaalsContact OG1-O 3.05Å; T68-K75 HydrophobicContact CG2-CG 4.23Å; T68-K75 VanDerWaalsContact CG2-NZ 3.34Å; T68-K75 PolarHBondContact OG1-NZ 2.86Å
69C90.1Very high87Confident4 Ų472.9 Ų72.93%0.02739%0.389CS..EExtended strand (participates in β ladder)trans-71.2136.5178.3-178.80000110.8C41 M49 Q71 F72 E74C41-C69 HydrophobicContact CB-CB 4.23Å; M49-C69 HydrophobicContact CE-CB 4.09Å; C69-Q71 PolarHBondContact O-N 2.8Å; C69-Q71 PolarHBondContact SG-N 2.8Å; C69-Q71 VanDerWaalsContact SG-N 3.43Å; C69-F72 CarbonylContact C-O 3.58Å; C69-F72 VanDerWaalsContact CB-O 3.28Å; C69-F72 WeakPolarHBondContact CB-O 3.23Å; C69-E74 PolarHBondContact N-O 2.89Å
70T86.7Confident86.8Confident55 Ų5574.5 Ų74.534%0.33739%0.389SS..SBendtrans-73.2-13.4178.559.60000113.4N46 R48 T50N46-T70 PolarHBondContact ND2-OG1 3.39Å; R48-T70 HydrophobicContact CB-CG2 4.35Å; R48-T70 PolarHBondContact O-OG1 3.05Å; T50-T70 HydrophobicContact CG2-CG2 3.8Å
71Q84.1Confident86.9Confident131 Ų13170.4 Ų70.461%0.61237%0.366SS*.SBendtrans-102-26.6-179.3-66.2-67.8-65.400112.5N46 C69N46-Q71 HydrophobicContact CB-CG 4.08Å; N46-Q71 WeakPolarHBondContact ND2-CG 3.38Å; C69-Q71 PolarHBondContact O-N 2.8Å; C69-Q71 PolarHBondContact SG-N 2.8Å; C69-Q71 VanDerWaalsContact SG-N 3.43Å
72F79.7Confident87.3Confident119 Ų11968.3 Ų68.352%0.52236%0.359SS..SBendtrans-142.6152.7-177-60.6-77.3000110.1C44 C69 E74C44-F72 HydrophobicContact CB-CD2 3.62Å; C44-F72 HydrophobicContact CB-CE2 3.38Å; C69-F72 CarbonylContact C-O 3.58Å; C69-F72 VanDerWaalsContact CB-O 3.28Å; C69-F72 WeakPolarHBondContact CB-O 3.23Å; F72-E74 HydrophobicContact CB-CG 4.39Å; F72-E74 PolarHBondContact O-N 3.35Å
73S79.5Confident87.4Confident105 Ų10570.4 Ų70.473%0.73436%0.362SS*.SBendtrans-72.715.5179.7-54.80000115
74E86.3Confident87.2Confident90 Ų9070.1 Ų70.142%0.42136%0.362SS..  trans-70.7138.5177.2-67-55.9133.100111Y43 C69 F72Y43-E74 HydrophobicContact CD2-CB 3.94Å; Y43-E74 HydrophobicContact CD2-CG 4.16Å; Y43-E74 HydrophobicContact CE2-CB 4.3Å; Y43-E74 HydrophobicContact CG-CB 4.46Å; Y43-E74 HydrophobicContact CG-CG 4.2Å; C69-E74 PolarHBondContact N-O 2.89Å; F72-E74 HydrophobicContact CB-CG 4.39Å; F72-E74 PolarHBondContact O-N 3.35Å
75K88.5Confident86.9Confident114 Ų11474.1 Ų74.150%0.49638%0.383SS..EExtended strand (participates in β ladder)trans-124.8134.9-173.1-57.8-176.3-176.1-68.30110.9I66 Y67 T68I66-K75 HydrophobicContact CG2-CB 4.22Å; I66-K75 HydrophobicContact CG2-CD 4.42Å; Y67-K75 CarbonylContact O-C 3.23Å; Y67-K75 VanDerWaalsContact O-CA 3.23Å; Y67-K75 WeakPolarHBondContact O-CA 3.42Å; T68-K75 HydrophobicContact CG2-CG 4.23Å; T68-K75 VanDerWaalsContact CG2-NZ 3.34Å; T68-K75 PolarHBondContact OG1-NZ 2.86Å
76E88.8Confident86.5Confident47 Ų4778.1 Ų78.122%0.2240%0.403CS..EExtended strand (participates in β ladder)trans-117.9131.9175.2-67.8176.483.900108.6K39 Y43 M49 I66 Y67K39-E76 IonicContact NZ-OE1 2.66Å; K39-E76 PolarHBondContact NZ-OE1 2.72Å; K39-E76 IonicContact NZ-OE2 3.09Å; K39-E76 PolarHBondContact NZ-OE2 2.91Å; Y43-E76 HydrophobicContact CE2-CG 4.43Å; M49-E76 HydrophobicContact CE-CG 4.44Å; M49-E76 VanDerWaalsContact CE-OE2 3.24Å; M49-E76 WeakPolarHBondContact CE-OE2 3.48Å; I66-E76 CarbonylContact C-O 3.53Å; Y67-E76 PolarHBondContact N-O 3.09Å; Y67-E76 PolarHBondContact O-N 3.23Å
77I90.2Very high86Confident114 Ų11481.3 Ų81.359%0.58542%0.419SS*.EExtended strand (participates in β ladder)trans-111.9123.3-174.1-55.5178.5000108.5T64 I66T64-I77 HydrophobicContact CG2-CG2 3.25Å; I66-I77 HydrophobicContact CG1-CG1 4.26Å; I66-I77 HydrophobicContact CG1-CG2 4.42Å; I66-I77 HydrophobicContact CG2-CG1 4.37Å
78E86.7Confident85.5Confident103 Ų10385 Ų8548%0.48144%0.441SS..EExtended strand (participates in β ladder)trans-116131.6174.7-173.2171.776.900108.9V65 Y67V65-E78 PolarHBondContact N-O 2.95Å; V65-E78 PolarHBondContact O-N 3.02Å; V65-E78 VanDerWaalsContact O-O 3.11Å; Y67-E78 HydrophobicContact CD2-CB 4.39Å; Y67-E78 HydrophobicContact CE2-CB 3.73Å; Y67-E78 PolarHBondContact OH-OE1 2.89Å
79N82.7Confident85Confident85 Ų8591.3 Ų91.346%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-101.9124.6176.7-54.7-93.6000107R57 T64R57-N79 PolarHBondContact NH2-OD1 3.04Å; T64-N79 PolarHBondContact OG1-OD1 2.82Å
80T76.8Confident84.5Confident129 Ų12999.3 Ų99.379%0.79151%0.514SS*.  trans-102.60173.8-1600000112.4Q63Q63-T80 HydrophobicContact CG-CG2 3.82Å; Q63-T80 WeakPolarHBondContact O-CG2 3.45Å; Q63-T80 PolarHBondContact O-N 3.19Å

Retrieved 80 of 80 residues in 54.4 ms (Link to these results)