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I-TASSER results for job id Rv0354c

[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
10.09 4 3nwfB MRY Rep, Mult 74,75,90,93,94,95,96
20.07 3 4qcrX MG Rep, Mult 59,108
30.07 3 4gwmA MAN Rep, Mult 65,107
40.04 2 3nw8B MRY Rep, Mult 70,74,95
50.04 2 2o01L CLA Rep, Mult 79,82
60.02 1 3gp4A MED Rep, Mult 110,112
70.02 1 1oquB FE Rep, Mult 45,127
80.02 1 2d4cA CA Rep, Mult 99,101
90.02 1 2w6dA GDP Rep, Mult 74,84,97
100.02 1 3t6zA CBS Rep, Mult 116,120
110.02 1 2z38A CL Rep, Mult 75,120,127
120.02 1 3fd5A MG Rep, Mult 72,100
130.02 1 1dfxA CA Rep, Mult 132,134
140.02 1 3bbxL MG Rep, Mult 106,107

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
10.0601mo7A0.1724.560.0070.2913.6.3.9NA
20.0602hr7A0.1844.790.0410.3122.7.10.1NA
30.0601ld4M0.3474.920.0890.6033.4.21.90122,126
40.0603b8cB0.2964.760.0350.4963.6.3.6NA
50.0603eqlM0.3014.060.0860.4612.7.7.691
60.0601rerA0.3384.690.0670.5893.4.21.9095
70.0603b8cA0.2964.660.0350.4893.6.3.6NA
80.0601uzgA0.3304.420.0200.5532.1.1.56,2.7.7.48,3.4.21.91NA
90.0601j3uA0.2963.480.0480.4114.3.1.1NA
100.0602dewX0.2945.010.0520.5323.5.3.15NA
110.0601p16A0.2884.160.0400.4612.7.7.5068
120.0601flcC0.3364.440.0260.5463.1.1.5396
130.0603ixzA0.3475.630.0850.6953.6.3.10NA
140.0603g61A0.3324.300.0580.5253.6.3.44NA
150.0601sesA0.2064.520.0260.3336.1.1.1194
160.0601serB0.1965.170.0350.3626.1.1.1183
170.0603errA0.3094.850.0360.5326.1.1.1183
180.0602uv8G0.2884.910.0940.5182.3.1.86NA
190.0601wd9A0.2815.180.0330.5113.5.3.15NA

(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
00.070.5374.500.140.942xgfA GO:0005198 GO:0016032 GO:0019012 GO:0019062 GO:0046718
10.060.4324.000.060.685fmwA GO:0002376 GO:0005576 GO:0005579 GO:0005737 GO:0005886 GO:0005887 GO:0006955 GO:0006957 GO:0006958 GO:0016020 GO:0016021 GO:0019835 GO:0019836 GO:0030449 GO:0045087 GO:0070062 GO:0072562
20.060.3713.310.050.512ocyA GO:0005085 GO:0005829 GO:0005934 GO:0005935 GO:0006810 GO:0006887 GO:0006914 GO:0015031 GO:0030133 GO:0031410 GO:0043547 GO:0070273
30.060.3025.320.080.573l4qC GO:0001678 GO:0005634 GO:0005925 GO:0005942 GO:0006810 GO:0007165 GO:0008134 GO:0008286 GO:0010506 GO:0014065 GO:0015031 GO:0016303 GO:0030833 GO:0032869 GO:0034976 GO:0035014 GO:0036092 GO:0036312 GO:0042993 GO:0043551 GO:0045785 GO:0045944 GO:0046854 GO:0046935 GO:0046982 GO:0051492 GO:0090003 GO:2001275
40.060.3864.910.040.684aurA GO:0005525
50.060.3116.030.040.675iv5O GO:0016032 GO:0019012 GO:0019062 GO:0046718 GO:0046872 GO:0098025
60.060.3025.080.050.544bejB GO:0000166 GO:0000266 GO:0001836 GO:0003374 GO:0003924 GO:0005525 GO:0005737 GO:0005739 GO:0005741 GO:0005777 GO:0005794 GO:0005829 GO:0005874 GO:0005903 GO:0005905 GO:0006897 GO:0006921 GO:0008289 GO:0010821 GO:0012501 GO:0012505 GO:0015630 GO:0016020 GO:0016559 GO:0016787 GO:0030054 GO:0030672 GO:0031410 GO:0031625 GO:0032459 GO:0042802 GO:0042803 GO:0043065 GO:0043231 GO:0043234 GO:0043653 GO:0045202 GO:0048471 GO:0050714 GO:0051289 GO:0060047 GO:0061025 GO:0070266 GO:0070584 GO:0070585 GO:0090141 GO:0090149 GO:0090200 GO:1900063 GO:1903146 GO:1903578 GO:2001244
70.060.2694.730.030.462w2lA GO:0000166 GO:0008152 GO:0016616 GO:0051287 GO:0055114
80.060.2814.710.020.502j68A GO:0000166 GO:0003924 GO:0005525 GO:0005886 GO:0008289 GO:0016020 GO:0016021 GO:0016787
90.060.2494.480.020.404a5wB GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
100.060.2954.830.050.503nsjA GO:0001771 GO:0002357 GO:0002418 GO:0005509 GO:0005576 GO:0005768 GO:0005886 GO:0016020 GO:0016021 GO:0016023 GO:0019835 GO:0022829 GO:0031904 GO:0044194 GO:0046872 GO:0051260 GO:0051607 GO:0055085
110.060.2434.960.040.434e0sB GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
120.060.2584.380.020.413t5oA GO:0001701 GO:0001970 GO:0002376 GO:0005576 GO:0005579 GO:0006955 GO:0006956 GO:0006958 GO:0019835 GO:0030449 GO:0045087 GO:0045766 GO:0045917 GO:0070062
130.060.2045.050.040.385c8sB GO:0000166 GO:0000175 GO:0001172 GO:0003676 GO:0003723 GO:0003725 GO:0003727 GO:0003968 GO:0004197 GO:0004386 GO:0004482 GO:0004483 GO:0004518 GO:0004519 GO:0004527 GO:0005524 GO:0006351 GO:0006370 GO:0006508 GO:0008168 GO:0008233 GO:0008234 GO:0008242 GO:0008270 GO:0016020 GO:0016021 GO:0016032 GO:0016740 GO:0016779 GO:0016787 GO:0016788 GO:0016817 GO:0016896 GO:0019079 GO:0019082 GO:0019083 GO:0030430 GO:0030683 GO:0032259 GO:0033644 GO:0036265 GO:0036459 GO:0039502 GO:0039503 GO:0039519 GO:0039520 GO:0039549 GO:0039579 GO:0039595 GO:0039604 GO:0039644 GO:0039648 GO:0039657 GO:0039690 GO:0039694 GO:0039714 GO:0044172 GO:0044220 GO:0046872 GO:0071108 GO:0080009 GO:0090305 GO:0090503 GO:1990380 GO:2000158
140.060.1795.190.040.331n7dA GO:0001618 GO:0001948 GO:0002020 GO:0004872 GO:0005041 GO:0005509 GO:0005764 GO:0005768 GO:0005769 GO:0005770 GO:0005794 GO:0005886 GO:0005887 GO:0005905 GO:0006629 GO:0006810 GO:0006869 GO:0006897 GO:0006898 GO:0008202 GO:0008203 GO:0009897 GO:0009986 GO:0010008 GO:0010867 GO:0010899 GO:0012505 GO:0015914 GO:0016020 GO:0016021 GO:0016032 GO:0016323 GO:0030169 GO:0030229 GO:0030299 GO:0030301 GO:0030669 GO:0032050 GO:0034362 GO:0034383 GO:0042157 GO:0042159 GO:0042632 GO:0042802 GO:0043235 GO:0045177 GO:0046718 GO:0070508 GO:1990666 GO:2000188
150.060.2064.900.010.373ki9A GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0046872
160.060.2134.180.040.334d0fA GO:0000122 GO:0000139 GO:0001047 GO:0001190 GO:0001525 GO:0001669 GO:0001701 GO:0001708 GO:0001837 GO:0001889 GO:0001947 GO:0002040 GO:0002052 GO:0002193 GO:0002437 GO:0003157 GO:0003160 GO:0003162 GO:0003169 GO:0003180 GO:0003181 GO:0003184 GO:0003192 GO:0003197 GO:0003198 GO:0003203 GO:0003207 GO:0003208 GO:0003209 GO:0003213 GO:0003214 GO:0003219 GO:0003222 GO:0003241 GO:0003256 GO:0003264 GO:0003270 GO:0003273 GO:0003344 GO:0003682 GO:0003700 GO:0004857 GO:0004872 GO:0005112 GO:0005509 GO:0005576 GO:0005634 GO:0005654 GO:0005737 GO:0005783 GO:0005789 GO:0005794 GO:0005829 GO:0005886 GO:0005912 GO:0006351 GO:0006355 GO:0006357 GO:0006366 GO:0006367 GO:0006955 GO:0006959 GO:0007219 GO:0007221 GO:0007275 GO:0007283 GO:0007368 GO:0007386 GO:0007409 GO:0007420 GO:0007440 GO:0007492 GO:0007507 GO:0008284 GO:0008285 GO:0008544 GO:0008593 GO:0009912 GO:0009986 GO:0010001 GO:0010468 GO:0010718 GO:0010812 GO:0010832 GO:0014031 GO:0014807 GO:0016020 GO:0016021 GO:0016324 GO:0019899 GO:0021515 GO:0021915 GO:0030154 GO:0030182 GO:0030216 GO:0030279 GO:0030324 GO:0030326 GO:0030334 GO:0030335 GO:0030513 GO:0030514 GO:0030900 GO:0031069 GO:0031100 GO:0031410 GO:0031490 GO:0031960 GO:0032495 GO:0032496 GO:0035116 GO:0035148 GO:0035914 GO:0035924 GO:0042127 GO:0042246 GO:0043065 GO:0043086 GO:0043235 GO:0043565 GO:0045070 GO:0045165 GO:0045596 GO:0045603 GO:0045607 GO:0045608 GO:0045618 GO:0045662 GO:0045665 GO:0045668 GO:0045687 GO:0045747 GO:0045892 GO:0045893 GO:0045944 GO:0045955 GO:0046427 GO:0046533 GO:0046872 GO:0046982 GO:0048103 GO:0048663 GO:0048708 GO:0048709 GO:0048711 GO:0048715 GO:0048754 GO:0050434 GO:0050678 GO:0050679 GO:0050767 GO:0050768 GO:0050793 GO:0055008 GO:0060038 GO:0060045 GO:0060253 GO:0060271 GO:0060317 GO:0060411 GO:0060412 GO:0060528 GO:0060548 GO:0060740 GO:0060768 GO:0060842 GO:0060843 GO:0060948 GO:0060956 GO:0060979 GO:0060982 GO:0061314 GO:0061384 GO:0061419 GO:0070986 GO:0071372 GO:0071944 GO:0072017 GO:0072044 GO:0072144 GO:0072602 GO:0090051 GO:0090090 GO:0097150 GO:1901201 GO:1902263 GO:2000737 GO:2000811 GO:2000974 GO:2001027
170.060.1905.170.010.352rd7A GO:0001848 GO:0002376 GO:0005576 GO:0005579 GO:0005615 GO:0005886 GO:0006955 GO:0006956 GO:0006957 GO:0006958 GO:0016020 GO:0016021 GO:0019835 GO:0030449 GO:0032403 GO:0045087 GO:0070062 GO:0072562
180.060.2015.410.060.401mqtC GO:0005198 GO:0019012 GO:0019028


Consensus prediction of GO terms
 
Molecular Function GO:0005198 GO:0070273 GO:0046935 GO:0008134 GO:0005085 GO:0005525 GO:0036312 GO:0046982 GO:0016303
GO-Score 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Biological Processes GO:0019062 GO:0046718 GO:0043547 GO:0019836 GO:0006957 GO:0010506 GO:2001275 GO:0043551 GO:0045944 GO:0090003 GO:0036092 GO:0030833 GO:0008286 GO:0034976 GO:0030449 GO:0006958 GO:0001678 GO:0042993 GO:0014065 GO:0006887 GO:0045785 GO:0051492 GO:0046854
GO-Score 0.07 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06
Cellular Component GO:0019012 GO:0072562 GO:0005942 GO:0005579 GO:0070062 GO:0005934 GO:0005925 GO:0005829 GO:0005634 GO:0030133 GO:0005935
GO-Score 0.07 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06 0.06

(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.