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I-TASSER results for job id Rv1158c

[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
10.15 7 1tu8A GTX Rep, Mult 6,7,11,37,39,45,46,47,58,59,89,100,196
20.11 5 3gssA EAA Rep, Mult 6,7,96,100,101,196
30.06 3 2e3bA MAN Rep, Mult 64,107,108,113,114
40.02 1 4a5wB BMA Rep, Mult 43,44,63,76
50.02 1 4zxgA MES Rep, Mult 21,22,176,177,178
60.02 1 2wsc3 CLA Rep, Mult 70,73
70.02 1 2e84A ZN Rep, Mult 167,168,169
80.02 1 2civA MAN Rep, Mult 47,49
90.02 1 2qt6A CA Rep, Mult 169,195
100.02 1 2buqA CAQ Rep, Mult 174,175
110.02 1 1cq1B CA Rep, Mult 81,82
120.02 1 16gs0 III Rep, Mult 53,56,57,61,64,66,67,71,75,78,79,82,83,86,87,90,122

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
10.1641tu8D0.7492.440.1010.8722.5.1.18NA
20.1641tu7A0.7492.440.1010.8722.5.1.18NA
30.13613gsA0.7242.760.1060.8722.5.1.18NA
40.1191iyhA0.6683.060.0960.8285.3.99.2NA
50.1132pvqA0.6483.080.1150.8062.5.1.1855,57
60.1122ntoA0.6503.060.1090.8062.5.1.18NA
70.1102f3mA0.6943.290.0850.8772.5.1.18NA
80.1092dc5A0.6993.190.0700.8772.5.1.18NA
90.1081hnaA0.6953.210.0860.8722.5.1.18NA
100.1051gsqA0.6603.180.0890.8372.5.1.18NA
110.1041m0uA0.6563.260.0850.8282.5.1.18NA
120.1031zl9B0.6702.930.0850.8282.5.1.187,13
130.1024gtuA0.6923.320.0850.8772.5.1.18NA
140.1001fheA0.6883.380.0900.8812.5.1.18NA
150.0981gsbA0.6883.360.0900.8772.5.1.18NA
160.0952aawC0.6742.950.1220.8282.5.1.1814,56
170.0941oktA0.6713.070.1220.8332.5.1.18NA
180.0922hnlA0.6633.020.0650.8192.5.1.1893
190.0601pd210.6713.010.1060.8285.3.99.2NA
200.0602fheA0.6803.610.1030.8942.5.1.18NA
210.0602wb9A0.6752.900.0900.8332.5.1.18NA
220.0602vczC0.6052.960.1010.7405.3.99.2NA
230.0601gulA0.6733.310.0700.8552.5.1.18NA
240.0601bg5A0.6853.860.0630.9122.5.1.18NA
250.0602gsqA0.6573.220.0890.8372.5.1.18NA
260.0601glpA0.7252.730.1060.8722.5.1.18NA
270.0601zl9A0.6772.840.0850.8282.5.1.18NA
280.0601c72A0.6813.420.0900.8772.5.1.18NA
290.0602fheB0.6793.610.1030.8942.5.1.1857,59
300.0601b4pA0.6893.350.0750.8772.5.1.18NA
310.0602v6kA0.6693.120.1000.8335.2.1.2NA
320.0602c3nA0.6593.380.0710.8462.5.1.18NA
330.0603gtuB0.7033.340.0690.8902.5.1.18NA
340.0601b8xA0.7003.630.0710.9162.5.1.18NA
350.0601r5aA0.6643.390.0980.8552.5.1.18NA
360.0602cz3A0.6413.030.1060.7842.5.1.18,5.2.1.2NA
370.0601fw1A0.6683.110.1010.8282.5.1.18,5.2.1.2NA

(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
00.200.7242.760.110.8713gsA GO:0000302 GO:0002674 GO:0004364 GO:0005615 GO:0005622 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006469 GO:0006749 GO:0006805 GO:0007417 GO:0008144 GO:0008152 GO:0008432 GO:0009636 GO:0009890 GO:0010804 GO:0014003 GO:0016740 GO:0019207 GO:0031100 GO:0031667 GO:0031982 GO:0032355 GO:0032691 GO:0032720 GO:0032869 GO:0032872 GO:0032873 GO:0032930 GO:0033591 GO:0035726 GO:0035730 GO:0035731 GO:0035732 GO:0043066 GO:0043124 GO:0043200 GO:0043295 GO:0043407 GO:0043409 GO:0043508 GO:0045471 GO:0046689 GO:0048147 GO:0051771 GO:0070026 GO:0070062 GO:0070372 GO:0070373 GO:0070664 GO:0071222 GO:0071364 GO:0071385 GO:0071460 GO:0071638 GO:0097057 GO:1901687 GO:2001237
10.190.6503.360.090.821yq1A GO:0016740
20.150.7492.440.100.871tu7A GO:0004364 GO:0008152 GO:0016740
30.150.6752.900.090.832wb9A GO:0004364 GO:0016740
40.140.7252.730.110.871glpA GO:0000302 GO:0002674 GO:0004364 GO:0005615 GO:0005622 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0006749 GO:0006805 GO:0008144 GO:0008152 GO:0008432 GO:0009636 GO:0009890 GO:0014003 GO:0016740 GO:0019207 GO:0031100 GO:0031667 GO:0031982 GO:0032355 GO:0032691 GO:0032720 GO:0032869 GO:0032872 GO:0032873 GO:0032930 GO:0033591 GO:0035726 GO:0035730 GO:0035731 GO:0043066 GO:0043124 GO:0043200 GO:0043234 GO:0043407 GO:0043508 GO:0045471 GO:0048147 GO:0051771 GO:0070062 GO:0070372 GO:0070373 GO:0070664 GO:0071222 GO:0071364 GO:0071385 GO:0071460 GO:0071638 GO:0097057 GO:2000429 GO:2000469 GO:2001237
50.130.7422.550.080.875d73A GO:0004364 GO:0008152 GO:0016740
60.120.7232.760.100.872gsrA GO:0004364 GO:0005634 GO:0005737 GO:0005739 GO:0008152 GO:0016740
70.120.6123.990.080.844hz4A GO:0016740
80.120.6873.590.100.903isoA GO:0016740 GO:0046872
90.120.6853.860.060.911bg5A GO:0004364 GO:0016740
100.110.6882.750.090.832on5A GO:0016740
110.110.7033.340.070.893gtuB GO:0004364 GO:0005634 GO:0005737 GO:0005829 GO:0006749 GO:0008065 GO:0008152 GO:0016740 GO:0018916 GO:0019899 GO:0035686 GO:0042178 GO:0042802 GO:0042803 GO:0043295 GO:0043627 GO:0070062 GO:0070458 GO:1901687
120.110.6783.590.100.893h1nB GO:0016740
130.110.7003.630.070.921b8xA GO:0004364 GO:0016740
140.110.6613.430.060.861b48A GO:0004364 GO:0005737 GO:0005739 GO:0006749 GO:0006805 GO:0008144 GO:0008152 GO:0009635 GO:0010043 GO:0016740 GO:0035094 GO:0043295 GO:0071285
150.110.6943.290.090.882f3mA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0018916 GO:0019899 GO:0042178 GO:0042803 GO:0043295 GO:0070458 GO:1901687
160.110.6993.190.070.882dc5A GO:0004364 GO:0005102 GO:0005737 GO:0006749 GO:0008152 GO:0010880 GO:0016529 GO:0016740 GO:0018916 GO:0019899 GO:0042178 GO:0042803 GO:0043295 GO:0060315 GO:0060316 GO:0070062 GO:0070458 GO:0071313
170.110.6693.000.090.833w8sA GO:0016740
180.110.6453.360.100.834q5rA GO:0004364 GO:0016740
190.110.6603.180.090.841gsqA GO:0004364 GO:0005737 GO:0016740
200.110.7003.260.080.884q5qA GO:0004364 GO:0005737 GO:0008152 GO:0016740
210.110.6772.840.090.831zl9A GO:0004364 GO:0016740 GO:0045087
220.110.6733.070.090.844ofmB GO:0016740
230.110.6713.010.110.831pd21 GO:0000287 GO:0001516 GO:0004364 GO:0004667 GO:0005509 GO:0005737 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0016740 GO:0016853 GO:0042803 GO:2000255
240.110.6663.050.100.834ec0B GO:0000287 GO:0001516 GO:0004364 GO:0004667 GO:0005509 GO:0005737 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0007165 GO:0007626 GO:0016740 GO:0016853 GO:0019371 GO:0042803 GO:0046872 GO:1901687 GO:2000255
250.110.6563.260.090.831m0uA GO:0004364 GO:0004602 GO:0005737 GO:0006749 GO:0006979 GO:0008152 GO:0009636 GO:0016740 GO:0098869
260.110.6712.890.050.831u3iA GO:0004364 GO:0016740
270.100.6753.080.080.841tw9F GO:0016740
280.100.6883.520.070.894q5nA GO:0016740
290.100.6213.380.100.781e6bA GO:0003824 GO:0004364 GO:0004601 GO:0005737 GO:0005829 GO:0006749 GO:0009072 GO:0009407 GO:0009636 GO:0016034 GO:0016491 GO:0016740 GO:0016853 GO:0055114 GO:0098869 GO:1902000
300.100.6893.330.070.882ab6A GO:0004364 GO:0005102 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0010880 GO:0010881 GO:0014809 GO:0016529 GO:0016740 GO:0018916 GO:0019899 GO:0042178 GO:0042803 GO:0043295 GO:0055119 GO:0060315 GO:0060316 GO:0070062 GO:0070458 GO:0071313 GO:1901687
310.100.6883.380.090.881fheA GO:0004364 GO:0005737 GO:0016740
320.100.6813.420.090.881c72A GO:0004364 GO:0005737 GO:0008152 GO:0016740
330.100.6893.350.070.881b4pA GO:0004364 GO:0005737 GO:0005829 GO:0005886 GO:0006805 GO:0007568 GO:0007608 GO:0008152 GO:0010038 GO:0014070 GO:0016740 GO:0033595 GO:0042803 GO:0043234 GO:0050896 GO:1902168
340.100.6923.320.090.884gtuA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0018916 GO:0019899 GO:0042178 GO:0042803 GO:0043295 GO:1901687
350.100.6883.360.090.881gsbA GO:0004364 GO:0005496 GO:0005576 GO:0005737 GO:0006749 GO:0007608 GO:0008152 GO:0010038 GO:0010226 GO:0010288 GO:0016151 GO:0016740 GO:0019901 GO:0042493 GO:0042803 GO:0043200 GO:0043234 GO:0045471 GO:0046677 GO:0048678 GO:0050896
360.100.6802.800.100.834q5fD GO:0004364 GO:0004602 GO:0005737 GO:0005903 GO:0016740 GO:0055114 GO:0098869
370.100.6293.570.080.833vpqA GO:0016740
380.100.6823.640.090.902wrtA GO:0004364 GO:0005737 GO:0016740
390.100.6803.610.100.892fheA GO:0004364 GO:0008152 GO:0016740
400.100.6773.370.070.863ik7A GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0006805 GO:0008152 GO:0016740 GO:0042803 GO:1901687
410.100.6742.950.120.832aawC GO:0004364 GO:0016740
420.100.6733.490.090.874pngB GO:0004364 GO:0004602 GO:0005737 GO:0006749 GO:0016740 GO:0098869
430.100.6703.460.070.863i69B GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0030855 GO:0070062 GO:1901687
440.090.6633.020.070.822hnlA GO:0004364 GO:0016740
450.090.6613.500.070.861agsA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0030855 GO:0070062 GO:1901687
460.090.6493.270.070.822caiB GO:0004364 GO:0016740
470.090.6623.480.070.862vcvA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0016740 GO:0070062 GO:1901687
480.090.6603.520.080.861ev4A GO:0004364 GO:0005634 GO:0005640 GO:0005737 GO:0005829 GO:0007568 GO:0008144 GO:0008152 GO:0016740 GO:0031667 GO:0042178 GO:0042493 GO:0043295
490.090.6052.960.100.742vczC GO:0000287 GO:0001516 GO:0004364 GO:0004667 GO:0005509 GO:0005737 GO:0005829 GO:0006629 GO:0006631 GO:0006633 GO:0006693 GO:0007165 GO:0007626 GO:0016740 GO:0016853 GO:0019371 GO:0042803 GO:0046872 GO:1901687 GO:2000255
500.090.6683.470.080.864mdcB GO:0004364 GO:0016740
510.090.6643.440.060.861vf4A GO:0004364 GO:0005737 GO:0006749 GO:0008152 GO:0016740
520.080.6403.440.090.831byeA GO:0004364 GO:0016740
530.080.6593.380.070.852c3nA GO:0004364 GO:0004602 GO:0005737 GO:0005829 GO:0006749 GO:0016740 GO:0070062 GO:0098869 GO:1901687
540.080.6463.450.100.842ws2A GO:0016740
550.080.6383.510.120.831aw9A GO:0004364 GO:0016740
560.080.6433.750.070.863qagA GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0006805 GO:0008152 GO:0016491 GO:0016740 GO:0019852 GO:0045174 GO:0050610 GO:0055114 GO:0070062 GO:0071243 GO:0098869 GO:1901687
570.080.6003.970.120.833lszA GO:0004364 GO:0016740
580.070.6383.840.050.853qavA GO:0016740
590.070.6193.520.060.824ri6A GO:0004364 GO:0005737 GO:0006749 GO:0016740
600.070.6613.450.070.854mpgB GO:0004364 GO:0005737 GO:0005829 GO:0006749 GO:0016740 GO:0070062 GO:1901687
610.070.6193.430.090.804f0bA GO:0016740
620.070.6013.750.080.812ycdA GO:0016740
630.070.5933.510.060.783erfA GO:0004364 GO:0006749 GO:0016740
640.070.6423.710.090.853vlnA GO:0004364 GO:0005604 GO:0005737 GO:0005829 GO:0006749 GO:0008152 GO:0010880 GO:0010881 GO:0014810 GO:0016491 GO:0016740 GO:0019852 GO:0019853 GO:0030424 GO:0031965 GO:0032259 GO:0042178 GO:0043209 GO:0044297 GO:0045174 GO:0050610 GO:0055114 GO:0060315 GO:0060316 GO:0070062 GO:0071243 GO:0098869 GO:1901687


Consensus prediction of GO terms
 
Molecular Function GO:0004364 GO:1900750 GO:0072341 GO:0008432 GO:0035731 GO:0035730 GO:0008144 GO:0019207
GO-Score 0.50 0.39 0.39 0.31 0.31 0.31 0.31 0.31
Biological Processes GO:0051179 GO:1901685 GO:0010038 GO:0044272 GO:0033484 GO:1901566 GO:1990267 GO:0001960 GO:0044711 GO:0010803 GO:0051771 GO:0032869 GO:0048147 GO:0031100 GO:0071638 GO:0071385 GO:0070664 GO:0043124 GO:0009636 GO:0035726 GO:0000302 GO:0045471 GO:0014003 GO:0032720 GO:0033591 GO:0006749 GO:0071460 GO:0043508 GO:2001237 GO:0032930 GO:0006805 GO:0032355 GO:0070373 GO:0043200 GO:0032691 GO:0071364 GO:0002674 GO:0071222
GO-Score 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31 0.31
Cellular Component GO:0070062 GO:0005829 GO:0005886 GO:0005739 GO:0097057 GO:0005634 GO:0005615
GO-Score 0.31 0.31 0.31 0.31 0.31 0.31 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.