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I-TASSER results for job id Rv3653

[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 5 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
10.10 5 1h9xA DHE Rep, Mult 12,30,31,33,68,69,70,85,111,112,114,147
20.08 4 1nexD III Rep, Mult 12,68,85,111,147,163
30.06 3 4w23g NUC Rep, Mult 24,25,27,28,52,59
40.04 2 4h5iA K Rep, Mult 33,69,70,71,113,114
50.04 2 1aklA CA Rep, Mult 104,105,106,115,116,117,120
60.04 2 1o0tA CA Rep, Mult 137,138,139,141,147,149,152
70.02 1 1aklA CA Rep, Mult 104,105,106,108,118,119,120,123
80.02 1 1om7A CA Rep, Mult 116,118,120,127,129,132
90.02 1 1af0A CA Rep, Mult 110,111,112,115,116,117,120
100.02 1 1jiwP CA Rep, Mult 63,64,66,100,102
110.02 1 3a6zA CA Rep, Mult 47,48,50,51,53,63,64,65,68
120.02 1 4v0nF HG Rep, Mult 71,114,150
130.02 1 2z8xA CA Rep, Mult 41,42,44,54,55,56,59
140.02 1 2xl3B III Rep, Mult 66,85,111

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
10.0671rwlA0.6324.140.0920.9082.7.11.1NA
20.0661pjxA0.5944.300.0700.8723.1.8.2NA
30.0663dr2A0.6224.030.0920.8723.1.1.17NA
40.0601k32A0.7053.400.0710.9233.4.21.-NA
50.0602gbcA0.6524.020.0490.9283.4.14.5,3.4.15.5NA
60.0601ri6A0.7063.530.0860.9233.1.1.31NA
70.0601lrwC0.7243.450.0810.9441.1.99.8NA
80.0601lrwA0.7243.450.0760.9441.1.99.8NA
90.0601kb0A0.7363.560.0870.9851.1.99.-NA
100.0601k3iA0.6913.860.0890.9641.1.3.9NA
110.0602h47H0.6853.910.0960.9441.4.99.4NA
120.0602fpcA0.6543.340.0360.8514.3.3.2110,125,147
130.0602qr5A0.6624.160.0940.9133.4.19.1NA
140.0601sllA0.6514.400.0830.9694.2.2.15NA
150.0602ebsB0.7023.710.0570.9593.2.1.150NA
160.0601v0eA0.6683.960.0670.9543.2.1.129NA
170.0601eurA0.6444.390.0420.9593.2.1.1860
180.0601eusA0.6464.340.0470.9593.2.1.18NA
190.0601kv9A0.7443.490.0670.9741.1.99.-NA
200.0603fw0A0.6643.870.0690.9284.3.2.540
210.0602vk6A0.6534.390.0370.9593.2.1.18NA
220.0601cvmA0.6564.040.0700.9333.1.3.8NA

(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
00.220.7163.430.060.925cxbA GO:0000463 GO:0000466 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:0043021
10.190.7353.040.070.922ymuA GO:0016020 GO:0016021
20.170.7183.010.080.894g56D GO:0005634 GO:0005737 GO:0005829 GO:0034709 GO:0035097
30.160.7373.080.070.924yvdA GO:0000398 GO:0000974 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005730 GO:0006397 GO:0008380 GO:0016607 GO:0031965 GO:0034504 GO:0071011 GO:0071013 GO:0080008 GO:1900087
40.150.7402.820.060.904v7fq GO:0000027 GO:0005634 GO:0005730 GO:0042254
50.150.7113.200.060.924o9dB GO:0000122 GO:0000781 GO:0005634 GO:0005737 GO:0005829 GO:0006348 GO:0006351 GO:0006355 GO:0016568 GO:0030466 GO:0030702 GO:0031048 GO:0031494 GO:0031618 GO:0031934 GO:0034507 GO:0034613 GO:0035391 GO:0043494 GO:0045132 GO:0045141 GO:0051572 GO:0051574 GO:1990141
60.140.7582.850.070.924lg9A GO:0000118 GO:0000122 GO:0002021 GO:0003677 GO:0003714 GO:0005634 GO:0005654 GO:0005876 GO:0006351 GO:0006355 GO:0008013 GO:0010468 GO:0016042 GO:0016568 GO:0016575 GO:0017053 GO:0030814 GO:0035264 GO:0042393 GO:0043161 GO:0044212 GO:0044255 GO:0045892 GO:0045893 GO:0045944 GO:0047485 GO:0050872 GO:0060070 GO:0060612 GO:0060613 GO:0090207
70.140.7343.020.080.924a11B GO:0000109 GO:0000209 GO:0003678 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006283 GO:0006289 GO:0006974 GO:0006979 GO:0008094 GO:0009411 GO:0010165 GO:0016363 GO:0016567 GO:0031464 GO:0032403 GO:0043161 GO:0043234 GO:0045739 GO:0051865
80.140.7413.060.080.924aezA GO:0000070 GO:0005634 GO:0007049 GO:0007067 GO:0010997 GO:0032153 GO:0033597 GO:0034613 GO:0044732 GO:0051301 GO:0072686 GO:0097027 GO:1904668
90.140.7043.380.040.921nr0A GO:0003779 GO:0005737 GO:0005856 GO:0016528 GO:0030016 GO:0030240 GO:0030836 GO:0030837 GO:0040011 GO:0040012 GO:0042643 GO:0051015 GO:0071689
100.140.7303.070.080.914jxmA GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
110.140.7153.300.060.922ce8A GO:0000122 GO:0001106 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0007165 GO:0007275 GO:0008134 GO:0009887 GO:0010628 GO:0016055 GO:0030178 GO:0042802 GO:0043124 GO:0045892 GO:1904837 GO:2000811
120.140.7163.570.030.933w15A GO:0005053 GO:0005737 GO:0005777 GO:0005829 GO:0006810 GO:0015031 GO:0016560
130.130.7143.630.050.953zwlD GO:0001731 GO:0002183 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0033290 GO:0043614
140.130.7303.050.050.915a2qg GO:0001649 GO:0001891 GO:0001934 GO:0005080 GO:0005102 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0005913 GO:0006417 GO:0006915 GO:0006919 GO:0007049 GO:0007275 GO:0007369 GO:0008200 GO:0008656 GO:0010629 GO:0010803 GO:0015935 GO:0016020 GO:0016032 GO:0017148 GO:0019899 GO:0019903 GO:0030178 GO:0030292 GO:0030308 GO:0030335 GO:0030425 GO:0030496 GO:0030822 GO:0030971 GO:0032436 GO:0032464 GO:0032880 GO:0032947 GO:0033137 GO:0035591 GO:0040008 GO:0042169 GO:0042803 GO:0042995 GO:0042998 GO:0043005 GO:0043025 GO:0043065 GO:0043204 GO:0043547 GO:0044297 GO:0044822 GO:0048471 GO:0048511 GO:0050765 GO:0051302 GO:0051343 GO:0051726 GO:0051898 GO:0051901 GO:0061099 GO:0070062 GO:0071333 GO:0071363 GO:0090003 GO:0098609 GO:0098641 GO:1900102 GO:1903208 GO:1990630 GO:2000114 GO:2000304 GO:2000543 GO:2001244
150.130.7313.140.040.914v6wAg GO:0000398 GO:0005080 GO:0005737 GO:0005776 GO:0005829 GO:0005875 GO:0007626 GO:0009267 GO:0016243 GO:0018991 GO:0035220 GO:0042335 GO:0044829 GO:0045725 GO:0046716 GO:0048477 GO:0071011 GO:0071013 GO:0075522
160.130.7283.190.090.924ui9R GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005829 GO:0006281 GO:0006974 GO:0007049 GO:0007067 GO:0008284 GO:0010997 GO:0016567 GO:0031145 GO:0031572 GO:0031965 GO:0040020 GO:0042787 GO:0045732 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0070306 GO:0070979 GO:0090344 GO:0097027 GO:1904668
170.130.7303.190.100.925emkB GO:0000387 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005829 GO:0006357 GO:0008284 GO:0008285 GO:0008327 GO:0016274 GO:0030374 GO:0034709 GO:0035246 GO:0060528 GO:0060770
180.130.7183.150.050.904l9oA GO:0005634 GO:0005643 GO:0005783 GO:0005789 GO:0006810 GO:0012507 GO:0015031 GO:0016020 GO:0016192 GO:0031410 GO:0051028
190.130.7123.320.010.913jb9L GO:0005634 GO:0005681 GO:0005682 GO:0006397 GO:0008380 GO:0045292
200.070.6903.620.050.903eweA GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0006810 GO:0006913 GO:0015031 GO:0016020 GO:0017056 GO:0031080 GO:0031965 GO:0035859 GO:0051028 GO:0097042 GO:1904263
210.070.7223.150.090.913ow8C GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0016055 GO:0016593 GO:0032968 GO:0035327 GO:0045638 GO:0045944 GO:0051571 GO:0055087 GO:0080182 GO:2001162
220.070.7223.370.050.933f3fA GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0006810 GO:0006913 GO:0015031 GO:0016020 GO:0017056 GO:0031080 GO:0031965 GO:0035859 GO:0051028 GO:0097042 GO:1904263
230.070.7193.200.080.912hesX GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0016226 GO:0044281 GO:0097361
240.070.7183.360.080.925a9q7 GO:0000775 GO:0000776 GO:0000777 GO:0002534 GO:0005634 GO:0005635 GO:0005643 GO:0005694 GO:0005829 GO:0006406 GO:0006409 GO:0006810 GO:0006999 GO:0007049 GO:0007059 GO:0007062 GO:0007067 GO:0007077 GO:0007080 GO:0010827 GO:0015031 GO:0016032 GO:0016925 GO:0019083 GO:0031047 GO:0031080 GO:0032008 GO:0034198 GO:0034629 GO:0050830 GO:0051028 GO:0051301 GO:0051315 GO:0061700 GO:0075733 GO:1900034 GO:1904263
250.070.7323.350.050.934xyhA GO:0000070 GO:0000778 GO:0000790 GO:0005634 GO:0005829 GO:0051382 GO:0061638 GO:0061641 GO:0070317 GO:0098654
260.070.7123.320.030.915igoC GO:0000152 GO:0004842 GO:0005634 GO:0005737 GO:0006281 GO:0008270 GO:0009585 GO:0009640 GO:0009641 GO:0009647 GO:0009649 GO:0010017 GO:0010119 GO:0016567 GO:0016604 GO:0016874 GO:0032436 GO:0042802 GO:0046283 GO:0046872 GO:0048573 GO:0061630 GO:0080008
270.070.7233.360.070.922pbiD GO:0001750 GO:0001917 GO:0004871 GO:0005096 GO:0005634 GO:0005829 GO:0005886 GO:0007165 GO:0007186 GO:0016020 GO:0031682 GO:0043209 GO:0043547 GO:0051087 GO:1901386
280.070.7393.010.070.915g04R GO:0000922 GO:0005634 GO:0005654 GO:0005680 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0007049 GO:0007062 GO:0007067 GO:0007399 GO:0008022 GO:0008284 GO:0010997 GO:0016567 GO:0019899 GO:0030154 GO:0031145 GO:0031915 GO:0040020 GO:0042787 GO:0042826 GO:0043161 GO:0043234 GO:0048471 GO:0050773 GO:0051301 GO:0051436 GO:0051437 GO:0051439 GO:0090129 GO:0097027 GO:1904668
290.070.7263.350.050.923cfvB GO:0000122 GO:0003723 GO:0004407 GO:0005634 GO:0005654 GO:0006260 GO:0006351 GO:0006355 GO:0007275 GO:0008283 GO:0016568 GO:0016575 GO:0016581 GO:0030308 GO:0034080 GO:0035098 GO:0045814 GO:0045892 GO:0048545 GO:0070370 GO:1901796
300.070.7093.570.090.932ybaB GO:0000122 GO:0000281 GO:0003682 GO:0005634 GO:0005667 GO:0005700 GO:0006281 GO:0006334 GO:0006335 GO:0006342 GO:0006351 GO:0006355 GO:0007307 GO:0007346 GO:0007379 GO:0007517 GO:0008284 GO:0016568 GO:0016571 GO:0016573 GO:0016581 GO:0016584 GO:0016589 GO:0016590 GO:0031491 GO:0031497 GO:0031523 GO:0033186 GO:0035035 GO:0035097 GO:0035098 GO:0042054 GO:0042393 GO:0042766 GO:0042803 GO:0042826 GO:0046974 GO:0046976 GO:0048666 GO:0048812 GO:0048813 GO:0051567 GO:0061085 GO:0070615 GO:0070734 GO:0070822
310.070.6973.490.040.915em2A GO:0000463 GO:0000466 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030687 GO:0042254 GO:0042273 GO:0043021
320.070.7113.550.100.933gfcA GO:0000790 GO:0000978 GO:0000980 GO:0004407 GO:0005634 GO:0005654 GO:0006260 GO:0006335 GO:0006336 GO:0006338 GO:0006351 GO:0006355 GO:0007049 GO:0008094 GO:0008285 GO:0016568 GO:0016575 GO:0016580 GO:0016581 GO:0016589 GO:0031492 GO:0031497 GO:0033186 GO:0034080 GO:0035098 GO:0042393 GO:0042826 GO:0043044 GO:0043234 GO:0045814 GO:0051726 GO:1901796
330.070.7023.500.060.901p22A GO:0000086 GO:0000209 GO:0002223 GO:0004842 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0006470 GO:0006511 GO:0007165 GO:0008013 GO:0016032 GO:0016055 GO:0016567 GO:0016874 GO:0019005 GO:0030163 GO:0031146 GO:0031648 GO:0033598 GO:0038061 GO:0038095 GO:0042752 GO:0042753 GO:0043122 GO:0043161 GO:0043433 GO:0045309 GO:0045862 GO:0045879 GO:0045892 GO:0045893 GO:0046983 GO:0048511 GO:0050852 GO:0051403 GO:0051437 GO:0051726 GO:0060444 GO:0060828 GO:0061136 GO:0061630 GO:0071407


Consensus prediction of GO terms
 
Molecular Function GO:0044877
GO-Score 0.43
Biological Processes GO:0000460 GO:0000470 GO:1902808 GO:0006397 GO:2000045 GO:0033365 GO:0000377 GO:1901992 GO:0042255
GO-Score 0.43 0.43 0.33 0.33 0.33 0.33 0.33 0.33 0.31
Cellular Component GO:0005730 GO:0030684 GO:0044444 GO:0034708 GO:0005635 GO:0043601 GO:0031090 GO:0016604 GO:0005681 GO:0031461 GO:0031224
GO-Score 0.44 0.43 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.31

(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.