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I-TASSER results for job id Rv1151c

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 Top 1 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)
 Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)


 Predicted function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)


  Ligand binding sites

Rank C-score Cluster
size
PDB
Hit
Lig
Name
Download
Complex
Ligand Binding Site Residues
10.64 116 2h4fA NAD Rep, Mult 8,9,10,13,14,17,18,19,20,21,86,87,88,89,104,177,178,179,203,204,205,219,220,221
20.50 107 3rigA III Rep, Mult 34,104,148,149,150,151,152,153,154,160,181,182,183,184
30.10 16 1yc5A NCA Rep, Mult 9,17,18,19,20,87,88,89
40.08 23 3jwpA ZN Rep, Mult 112,115,137,140
50.07 16 2nyrB SVR Rep, Mult 20,21,33,37,53,56,88,104,148,149,151,152,153,160,182,183,187
60.03 7 3gltA III Rep, Mult 8,9,10,13,19,20,21,22,37,86,104,148,149,150,151,152,153,154,177,178,179,181,182,183,184,203,204,219,220,221
70.03 13 4jsrA 1NQ Rep, Mult 9,17,19,20,37,86,87,88,89,104,149,150,151,153,156
80.02 9 4utvA F9V Rep, Mult 37,53,56,86,88,104,148,149,151
90.01 3 4g1cA III Rep, Mult 34,151,152
100.01 4 2hjhB NCA Rep, Mult 17,18,19,20,27,56
110.00 1 1yc2B NCA Rep, Mult 157,183
120.00 1 2h2gA ZN Rep, Mult 45,47
130.00 1 2hjhA ZN Rep, Mult 112,115,122
140.00 2 5dy5A 5GR Rep, Mult 17,20,21,37,49,53,56,58,59,63,88,89,104,107,148,149,150,151
150.00 1 1yc2E NCA Rep, Mult 117,119,138,139
160.00 1 4bvgA III Rep, Mult 21,34,149,151,152,153,180,181,182,183,184,208
170.00 1 1s7gA ZN Rep, Mult 2,166,169
180.00 1 3glrA BCT Rep, Mult 1

Download the all possible binding ligands and detailed prediction summary.
Download the templates clustering results.
(a)C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)Cluster size is the total number of templates in a cluster.
(c)Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column.
Mult is the complex structures with all potential binding ligands in the cluster.

  Enzyme Commission (EC) numbers and active sites

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.5162h2iA0.8482.570.3300.9713.5.1.-18,20,21,87,89,104
20.4713glrA0.8282.640.2640.9623.5.1.-18,20,21,87,89,104
30.1001q17C0.8282.750.2670.9713.5.1.-18,20,21,87,89,104
40.0853k35F0.7233.550.2590.8732.4.2.3118,20,21,87,89,104
50.0801j8fA0.7933.100.2660.9663.5.1.-18,20,21,87,89,104
60.0762hjhB0.8642.150.2160.9663.5.1.-18,20,21,87,89,104
70.0661f5sA0.5344.480.0860.7593.1.3.3NA
80.0662feaA0.5394.140.0720.7553.1.3.-10
90.0661l8lA0.5274.560.0700.7643.1.3.37
100.0601qq5A0.4954.670.1120.7173.8.1.210,224
110.0601ogyI0.5054.760.0630.7171.7.99.4NA
120.0603b8cB0.5194.630.1090.7643.6.3.6192
130.0602i6aA0.4904.860.0700.7172.7.1.20186,187
140.0601dhsA0.5133.650.1100.6542.5.1.46,1.5.1.-NA
150.0602no4B0.5054.370.0730.7093.8.1.287
160.0602nyvA0.5084.350.0690.7093.1.3.18NA
170.0602vkqA0.5514.640.1060.7973.1.3.5106
180.0602hi0A0.4984.710.1200.7263.1.3.1820,186
190.0603b8cA0.5194.630.1090.7643.6.3.6NA
200.0602w4mA0.5124.230.1290.7173.1.3.29NA
210.0601l8oB0.5214.740.0850.7763.1.3.314,16,180,203
220.0601mhsA0.5394.290.0940.7593.6.3.6NA
230.0602nyaF0.5024.800.0810.7171.7.99.48,85
240.0602qltA0.4924.560.0700.7053.1.3.-NA

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC values range in between [0-1];
where a higher score indicates a more reliable EC number prediction.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided
by length of the query protein.

  Gene Ontology (GO) terms

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.620.9051.900.450.981iciA GO:0005737 GO:0006351 GO:0006355 GO:0006476 GO:0008270 GO:0016787 GO:0034979 GO:0036047 GO:0036048 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0070403
10.620.8402.710.360.981s7gA GO:0005737 GO:0006351 GO:0006355 GO:0006476 GO:0008270 GO:0016787 GO:0034979 GO:0036047 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0051287 GO:0070403
20.590.9071.760.320.982h59A GO:0005737 GO:0006476 GO:0008270 GO:0016787 GO:0034979 GO:0046872 GO:0051287 GO:0070403
30.550.8871.900.390.974f56B GO:0003950 GO:0005634 GO:0005737 GO:0005739 GO:0005743 GO:0005758 GO:0005759 GO:0005829 GO:0006342 GO:0006471 GO:0006476 GO:0008270 GO:0010566 GO:0010667 GO:0016787 GO:0031667 GO:0036046 GO:0036047 GO:0036048 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0061697 GO:0061698 GO:0061699 GO:0070403 GO:2000378
40.490.8102.900.350.964utnB GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0006476 GO:0008270 GO:0010566 GO:0016787 GO:0036047 GO:0036048 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0070403
50.490.8282.750.270.971q17C GO:0000183 GO:0001300 GO:0005634 GO:0005737 GO:0006351 GO:0006355 GO:0006476 GO:0008270 GO:0016787 GO:0016811 GO:0017136 GO:0031939 GO:0045950 GO:0046872 GO:0046970 GO:0051287 GO:0070403 GO:0070933
60.470.8732.340.300.993u31A GO:0000781 GO:0003677 GO:0005634 GO:0005677 GO:0005694 GO:0005730 GO:0005737 GO:0005739 GO:0006342 GO:0006355 GO:0006476 GO:0008270 GO:0016233 GO:0016787 GO:0034979 GO:0036047 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0070403
70.440.8302.350.380.931s5pA GO:0005737 GO:0006476 GO:0006935 GO:0008270 GO:0016787 GO:0034979 GO:0034983 GO:0036047 GO:0036048 GO:0036049 GO:0036054 GO:0036055 GO:0046872 GO:0070403
80.440.8242.290.270.934rmiA GO:0000122 GO:0000183 GO:0000781 GO:0002376 GO:0003682 GO:0003950 GO:0004407 GO:0005634 GO:0005677 GO:0005694 GO:0005720 GO:0005737 GO:0005813 GO:0005814 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005874 GO:0005886 GO:0006342 GO:0006348 GO:0006351 GO:0006355 GO:0006471 GO:0006476 GO:0006914 GO:0007049 GO:0007067 GO:0007096 GO:0007399 GO:0007417 GO:0008134 GO:0008270 GO:0008285 GO:0010507 GO:0010801 GO:0014065 GO:0016020 GO:0016458 GO:0016575 GO:0016787 GO:0016811 GO:0017136 GO:0021762 GO:0022011 GO:0030154 GO:0030426 GO:0030496 GO:0031641 GO:0032436 GO:0033010 GO:0033270 GO:0033558 GO:0034599 GO:0034979 GO:0034983 GO:0035035 GO:0035729 GO:0035748 GO:0042177 GO:0042325 GO:0042826 GO:0042903 GO:0042995 GO:0043066 GO:0043130 GO:0043161 GO:0043204 GO:0043209 GO:0043219 GO:0043220 GO:0043388 GO:0043491 GO:0044224 GO:0044242 GO:0045087 GO:0045598 GO:0045599 GO:0045836 GO:0045843 GO:0045892 GO:0045944 GO:0046872 GO:0046970 GO:0048012 GO:0048471 GO:0048487 GO:0048715 GO:0051287 GO:0051301 GO:0051321 GO:0051726 GO:0051775 GO:0051781 GO:0051987 GO:0061428 GO:0061433 GO:0070403 GO:0070446 GO:0070932 GO:0070933 GO:0071219 GO:0071456 GO:0071872 GO:0072686 GO:0072687 GO:0090042 GO:0097386 GO:0097456 GO:1900119 GO:1900195 GO:1900226 GO:1900425 GO:1901026 GO:2000378 GO:2000777
90.440.8492.460.260.975btrA GO:0000012 GO:0000122 GO:0000183 GO:0000720 GO:0000731 GO:0000785 GO:0000790 GO:0001046 GO:0001525 GO:0001542 GO:0001678 GO:0001934 GO:0001938 GO:0002039 GO:0002821 GO:0003714 GO:0003950 GO:0004407 GO:0005634 GO:0005635 GO:0005637 GO:0005654 GO:0005677 GO:0005719 GO:0005720 GO:0005730 GO:0005737 GO:0005739 GO:0006260 GO:0006281 GO:0006325 GO:0006342 GO:0006343 GO:0006344 GO:0006346 GO:0006351 GO:0006355 GO:0006364 GO:0006471 GO:0006476 GO:0006642 GO:0006915 GO:0006974 GO:0006979 GO:0007275 GO:0007283 GO:0007346 GO:0007517 GO:0007569 GO:0007623 GO:0008022 GO:0008134 GO:0008284 GO:0008630 GO:0009267 GO:0010629 GO:0010875 GO:0010883 GO:0010906 GO:0010934 GO:0014068 GO:0016032 GO:0016239 GO:0016567 GO:0016575 GO:0016605 GO:0016787 GO:0017136 GO:0018394 GO:0019213 GO:0019899 GO:0019904 GO:0030154 GO:0030225 GO:0030308 GO:0030512 GO:0031393 GO:0031648 GO:0031937 GO:0032007 GO:0032071 GO:0032088 GO:0032868 GO:0032922 GO:0033158 GO:0033210 GO:0033553 GO:0033558 GO:0034391 GO:0034979 GO:0034983 GO:0035098 GO:0035257 GO:0035356 GO:0035358 GO:0042127 GO:0042326 GO:0042393 GO:0042542 GO:0042595 GO:0042632 GO:0042771 GO:0042802 GO:0043065 GO:0043066 GO:0043124 GO:0043161 GO:0043280 GO:0043398 GO:0043425 GO:0043433 GO:0043518 GO:0044321 GO:0045348 GO:0045599 GO:0045739 GO:0045766 GO:0045892 GO:0045944 GO:0046628 GO:0046872 GO:0046969 GO:0048511 GO:0050872 GO:0051019 GO:0051097 GO:0051574 GO:0051898 GO:0055089 GO:0060766 GO:0061647 GO:0070301 GO:0070403 GO:0070857 GO:0070914 GO:0070932 GO:0071356 GO:0071441 GO:0071456 GO:0071479 GO:0071900 GO:0090335 GO:0090400 GO:1900034 GO:1901215 GO:1901984 GO:1902166 GO:1902176 GO:1902237 GO:1904179 GO:1990254 GO:1990619 GO:2000111 GO:2000480 GO:2000481 GO:2000619 GO:2000655 GO:2000757 GO:2000773 GO:2000774
100.430.8492.350.270.974bveA GO:0003950 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0006471 GO:0006476 GO:0007005 GO:0008270 GO:0009060 GO:0016020 GO:0016787 GO:0032041 GO:0034983 GO:0046872 GO:0070403 GO:0070932 GO:2000757
110.420.8592.210.220.974iaoB GO:0000183 GO:0000784 GO:0001300 GO:0001302 GO:0005634 GO:0005677 GO:0005720 GO:0005724 GO:0005730 GO:0006281 GO:0006325 GO:0006333 GO:0006342 GO:0006348 GO:0006351 GO:0006355 GO:0006476 GO:0006974 GO:0008156 GO:0008270 GO:0016568 GO:0016575 GO:0016787 GO:0016811 GO:0017136 GO:0030466 GO:0030869 GO:0031491 GO:0032041 GO:0045910 GO:0046872 GO:0046969 GO:0046970 GO:0051287 GO:0061647 GO:0070403 GO:0070932 GO:0070933 GO:1904524 GO:1990619
120.420.7782.440.260.894v1cG GO:0003950 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0006471 GO:0006476 GO:0007005 GO:0008270 GO:0009060 GO:0016020 GO:0016787 GO:0032041 GO:0034983 GO:0046872 GO:0070403 GO:0070932 GO:2000757
130.390.7762.650.240.895btrC GO:0000012 GO:0000122 GO:0000183 GO:0000720 GO:0000731 GO:0000785 GO:0000790 GO:0001046 GO:0001525 GO:0001542 GO:0001678 GO:0001934 GO:0001938 GO:0002039 GO:0002821 GO:0003714 GO:0003950 GO:0004407 GO:0005634 GO:0005635 GO:0005637 GO:0005654 GO:0005677 GO:0005719 GO:0005720 GO:0005730 GO:0005737 GO:0005739 GO:0006260 GO:0006281 GO:0006325 GO:0006342 GO:0006343 GO:0006344 GO:0006346 GO:0006351 GO:0006355 GO:0006364 GO:0006471 GO:0006476 GO:0006642 GO:0006915 GO:0006974 GO:0006979 GO:0007275 GO:0007283 GO:0007346 GO:0007517 GO:0007569 GO:0007623 GO:0008022 GO:0008134 GO:0008284 GO:0008630 GO:0009267 GO:0010629 GO:0010875 GO:0010883 GO:0010906 GO:0010934 GO:0014068 GO:0016032 GO:0016239 GO:0016567 GO:0016575 GO:0016605 GO:0016787 GO:0017136 GO:0018394 GO:0019213 GO:0019899 GO:0019904 GO:0030154 GO:0030225 GO:0030308 GO:0030512 GO:0031393 GO:0031648 GO:0031937 GO:0032007 GO:0032071 GO:0032088 GO:0032868 GO:0032922 GO:0033158 GO:0033210 GO:0033553 GO:0033558 GO:0034391 GO:0034979 GO:0034983 GO:0035098 GO:0035257 GO:0035356 GO:0035358 GO:0042127 GO:0042326 GO:0042393 GO:0042542 GO:0042595 GO:0042632 GO:0042771 GO:0042802 GO:0043065 GO:0043066 GO:0043124 GO:0043161 GO:0043280 GO:0043398 GO:0043425 GO:0043433 GO:0043518 GO:0044321 GO:0045348 GO:0045599 GO:0045739 GO:0045766 GO:0045892 GO:0045944 GO:0046628 GO:0046872 GO:0046969 GO:0048511 GO:0050872 GO:0051019 GO:0051097 GO:0051574 GO:0051898 GO:0055089 GO:0060766 GO:0061647 GO:0070301 GO:0070403 GO:0070857 GO:0070914 GO:0070932 GO:0071356 GO:0071441 GO:0071456 GO:0071479 GO:0071900 GO:0090335 GO:0090400 GO:1900034 GO:1901215 GO:1901984 GO:1902166 GO:1902176 GO:1902237 GO:1904179 GO:1990254 GO:1990619 GO:2000111 GO:2000480 GO:2000481 GO:2000619 GO:2000655 GO:2000757 GO:2000773 GO:2000774
140.390.5892.020.310.654v1cK GO:0003950 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0006471 GO:0006476 GO:0007005 GO:0008270 GO:0009060 GO:0016020 GO:0016787 GO:0032041 GO:0034983 GO:0046872 GO:0070403 GO:0070932 GO:2000757
150.380.7943.080.260.973zgoA GO:0000122 GO:0000183 GO:0000781 GO:0002376 GO:0003682 GO:0003950 GO:0004407 GO:0005634 GO:0005677 GO:0005694 GO:0005720 GO:0005737 GO:0005813 GO:0005814 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005874 GO:0005886 GO:0006342 GO:0006348 GO:0006351 GO:0006355 GO:0006471 GO:0006476 GO:0006914 GO:0007049 GO:0007067 GO:0007096 GO:0007399 GO:0007417 GO:0008134 GO:0008270 GO:0008285 GO:0010507 GO:0010801 GO:0014065 GO:0016020 GO:0016458 GO:0016575 GO:0016787 GO:0016811 GO:0017136 GO:0021762 GO:0022011 GO:0030154 GO:0030426 GO:0030496 GO:0031641 GO:0032436 GO:0033010 GO:0033270 GO:0033558 GO:0034599 GO:0034979 GO:0034983 GO:0035035 GO:0035729 GO:0035748 GO:0042177 GO:0042325 GO:0042826 GO:0042903 GO:0042995 GO:0043066 GO:0043130 GO:0043161 GO:0043204 GO:0043209 GO:0043219 GO:0043220 GO:0043388 GO:0043491 GO:0044224 GO:0044242 GO:0045087 GO:0045598 GO:0045599 GO:0045836 GO:0045843 GO:0045892 GO:0045944 GO:0046872 GO:0046970 GO:0048012 GO:0048471 GO:0048487 GO:0048715 GO:0051287 GO:0051301 GO:0051321 GO:0051726 GO:0051775 GO:0051781 GO:0051987 GO:0061428 GO:0061433 GO:0070403 GO:0070446 GO:0070932 GO:0070933 GO:0071219 GO:0071456 GO:0071872 GO:0072686 GO:0072687 GO:0090042 GO:0097386 GO:0097456 GO:1900119 GO:1900195 GO:1900226 GO:1900425 GO:1901026 GO:2000378 GO:2000777
160.350.7303.460.260.883zg6A GO:0003247 GO:0003682 GO:0003714 GO:0003950 GO:0003956 GO:0005634 GO:0005654 GO:0005724 GO:0005730 GO:0005737 GO:0006284 GO:0006471 GO:0006476 GO:0008270 GO:0008285 GO:0010569 GO:0016575 GO:0016787 GO:0017136 GO:0031648 GO:0031667 GO:0033558 GO:0034979 GO:0042593 GO:0045820 GO:0045892 GO:0046325 GO:0046872 GO:0046969 GO:0048146 GO:0061647 GO:0070403 GO:1990619 GO:2000648
170.070.5554.300.090.774nv0B GO:0000166 GO:0000287 GO:0005737 GO:0005829 GO:0008252 GO:0008253 GO:0009117 GO:0009158 GO:0016311 GO:0016787 GO:0046872 GO:1901069
180.060.3635.500.030.591fdiA GO:0005829 GO:0008863 GO:0009055 GO:0015942 GO:0015944 GO:0016491 GO:0030151 GO:0046872 GO:0051536 GO:0051539 GO:0055114


Consensus prediction of GO terms
 
Molecular Function GO:0008270 GO:0070403 GO:0036055 GO:0036054 GO:0034979 GO:0003950 GO:0061697
GO-Score 0.99 0.99 0.97 0.97 0.94 0.55 0.55
Biological Processes GO:0006476 GO:0036049 GO:0036047 GO:0010566 GO:0006342 GO:2000378 GO:0031667 GO:0061699 GO:0006471 GO:0010667
GO-Score 0.99 0.97 0.97 0.77 0.55 0.55 0.55 0.55 0.55 0.55
Cellular Component GO:0005634 GO:0005829 GO:0005758 GO:0005743 GO:0005759
GO-Score 0.77 0.77 0.55 0.55 0.55

(a)CscoreGO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(b)TM-score is a measure of global structural similarity between query and template protein.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa is the percentage sequence identity in the structurally aligned region.
(e)Cov represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.
(f)The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on CscoreGO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]



Please cite the following articles when you use the I-TASSER server:
1. J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2. J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.