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I-TASSER results for job id Rv2706c

[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
10.22 8 3p4pB FES Rep, Mult 32,33,36,42,44,45,46,47
20.08 3 1pp9E SMA Rep, Mult 43,45
30.06 2 1yd80 III Rep, Mult 6,8,52,54,59,60,61,62,75
40.06 2 4k7sB ZN Rep, Mult 6,75
50.03 1 2vlrD III Rep, Mult 35,36
60.03 1 2jecD MN Rep, Mult 71,72
70.03 1 3t2hE TMO Rep, Mult 56,57

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
10.0601xsbA0.4903.760.0560.7653.6.1.1736
20.0602pnyA0.4833.740.0860.8245.3.3.234,56
30.0603i9v10.4853.680.0830.7761.6.99.59,14,80
40.0602rd0A0.5103.780.1560.8712.7.1.153NA
50.0602jrhA0.4993.230.0140.7882.7.11.253
60.0602w4eA0.4923.410.0680.7183.6.1.13NA
70.0602nptD0.5402.730.0150.7652.7.11.2572
80.0602j0mA0.4943.900.0780.8942.7.10.2NA
90.0601vlbA0.4853.490.0850.8351.2.99.7NA
100.0601jroA0.4863.610.0690.8471.1.1.20430
110.0601viuB0.4833.470.0290.7293.6.1.-NA
120.0601fnoA0.2875.390.0700.6713.4.11.436
130.0601ampA0.3934.480.0260.8123.4.11.10NA
140.0602qjoB0.5133.570.0630.7882.7.7.149
150.0602v1yA0.5103.470.1640.8592.7.1.15352,66,68
160.0601zxiA0.5033.170.0720.8121.2.99.2NA
170.0601mp8A0.3514.270.0140.6592.7.10.2,2.7.1.11228
180.0601bxrA0.4843.990.0520.8946.3.5.5NA
190.0602r5wB0.4953.670.0630.7762.7.7.110,74

(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
00.220.5413.220.140.861v8cA GO:0004795
10.220.5872.260.240.782jx5A GO:0003735 GO:0005840 GO:0006412
20.160.5472.900.090.811vjkA GO:0006777
30.150.5813.120.090.892m19A GO:0000166
40.130.5512.800.140.802jvcA
50.120.5292.840.180.785hpsB GO:0000086 GO:0000122 GO:0000165 GO:0000184 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002223 GO:0002230 GO:0002755 GO:0002756 GO:0003735 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005765 GO:0005829 GO:0005840 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006364 GO:0006412 GO:0006413 GO:0006464 GO:0006614 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019083 GO:0019985 GO:0022625 GO:0030512 GO:0030529 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043488 GO:0044267 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:0098792 GO:1901796
60.120.5422.800.130.793n3kB GO:0000086 GO:0000122 GO:0000165 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002020 GO:0002223 GO:0002755 GO:0002756 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0010992 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019985 GO:0030512 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043209 GO:0043488 GO:0044267 GO:0044822 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:1901796
70.070.5723.280.070.893po0A GO:0000166 GO:0031386 GO:0032446
80.070.5853.050.090.891wgkA GO:0002098 GO:0005737 GO:0005829 GO:0008033 GO:0016783 GO:0032447 GO:0034227 GO:0070062
90.070.5223.030.160.812gbmB GO:0000086 GO:0000122 GO:0000165 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002020 GO:0002223 GO:0002755 GO:0002756 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0010992 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019985 GO:0030512 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043209 GO:0043488 GO:0044267 GO:0044822 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:1901796
100.070.5313.050.140.812gbjB GO:0000086 GO:0000122 GO:0000165 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002020 GO:0002223 GO:0002755 GO:0002756 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0010992 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019985 GO:0030512 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043209 GO:0043488 GO:0044267 GO:0044822 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:1901796
110.070.5262.800.170.785c7mB GO:0000086 GO:0000122 GO:0000165 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002020 GO:0002223 GO:0002755 GO:0002756 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0010992 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019985 GO:0030512 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043209 GO:0043488 GO:0044267 GO:0044822 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:1901796
120.070.5402.840.130.811c3tA GO:0000086 GO:0000122 GO:0000165 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002020 GO:0002223 GO:0002755 GO:0002756 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0010992 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019985 GO:0030512 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043209 GO:0043488 GO:0044267 GO:0044822 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:1901796
130.070.5392.960.130.825hptB GO:0000086 GO:0000122 GO:0000165 GO:0000184 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002223 GO:0002230 GO:0002755 GO:0002756 GO:0003735 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005765 GO:0005829 GO:0005840 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006364 GO:0006412 GO:0006413 GO:0006464 GO:0006614 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019083 GO:0019985 GO:0022625 GO:0030512 GO:0030529 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043488 GO:0044267 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:0098792 GO:1901796
140.070.5032.940.110.763m62B GO:0000111 GO:0000122 GO:0000224 GO:0000502 GO:0003684 GO:0005634 GO:0005737 GO:0006281 GO:0006289 GO:0006517 GO:0006974 GO:0030433 GO:0030674 GO:0043130 GO:0043161 GO:0070628
150.070.5703.060.030.914idiA GO:0002098 GO:0005737 GO:0005829 GO:0008033 GO:0032447 GO:0034227
160.070.5262.880.130.791bt0A GO:0005634 GO:0005737 GO:0005829 GO:0005886 GO:0009693 GO:0009733 GO:0045116
170.070.5263.460.090.841fm0D GO:0000166 GO:0005829 GO:0006777
180.070.5372.830.160.804ii2B GO:0002181 GO:0003735 GO:0005634 GO:0005730 GO:0005737 GO:0005829 GO:0005840 GO:0006412 GO:0022625 GO:0030529 GO:0042254
190.070.5393.060.140.825hplC GO:0000086 GO:0000122 GO:0000165 GO:0000184 GO:0000187 GO:0000209 GO:0000715 GO:0000717 GO:0002223 GO:0002230 GO:0002755 GO:0002756 GO:0003735 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005765 GO:0005829 GO:0005840 GO:0005886 GO:0005978 GO:0006283 GO:0006294 GO:0006296 GO:0006297 GO:0006364 GO:0006412 GO:0006413 GO:0006464 GO:0006614 GO:0006977 GO:0007179 GO:0007219 GO:0007249 GO:0007254 GO:0008543 GO:0010008 GO:0010803 GO:0010939 GO:0016055 GO:0016197 GO:0016236 GO:0019058 GO:0019068 GO:0019083 GO:0019985 GO:0022625 GO:0030512 GO:0030529 GO:0030666 GO:0031145 GO:0032479 GO:0032480 GO:0033209 GO:0033683 GO:0034220 GO:0035666 GO:0036297 GO:0038061 GO:0038095 GO:0038128 GO:0042059 GO:0042276 GO:0042769 GO:0042787 GO:0043065 GO:0043066 GO:0043123 GO:0043161 GO:0043488 GO:0044267 GO:0045087 GO:0045742 GO:0045944 GO:0050852 GO:0051092 GO:0051403 GO:0051436 GO:0051437 GO:0060071 GO:0061418 GO:0070062 GO:0070423 GO:0070911 GO:0070987 GO:0075733 GO:0090090 GO:0090263 GO:0098792 GO:1901796
200.070.4943.490.090.823dwgC GO:0005829 GO:0006535 GO:0008652 GO:0019344 GO:0043234
210.070.5423.810.090.922k9xA GO:0002098 GO:0005737 GO:0005829 GO:0008033 GO:0032447 GO:0034227
220.070.5442.860.140.803dbhI GO:0005634 GO:0005829 GO:0006357 GO:0006464 GO:0006508 GO:0006511 GO:0007179 GO:0008104 GO:0009653 GO:0014070 GO:0031625 GO:0045116 GO:0070062
230.070.5422.880.070.791ttnA GO:0005737 GO:0043130
240.070.5103.450.080.882ax5A GO:0001403 GO:0002098 GO:0002143 GO:0005634 GO:0005737 GO:0005829 GO:0007114 GO:0008033 GO:0016783 GO:0031386 GO:0032447 GO:0034227 GO:0034599 GO:0042803
250.070.5412.820.140.761wxvA GO:0000774 GO:0005057 GO:0005634 GO:0005737 GO:0005829 GO:0006915 GO:0007166 GO:0043066 GO:0050790 GO:0051087 GO:0070389 GO:1900034
260.070.5582.910.070.802fazA GO:0000122 GO:0000790 GO:0000791 GO:0000792 GO:0000987 GO:0003677 GO:0003700 GO:0004842 GO:0005634 GO:0005657 GO:0005720 GO:0006281 GO:0006351 GO:0006355 GO:0006974 GO:0007049 GO:0008270 GO:0008283 GO:0008327 GO:0010216 GO:0010390 GO:0016363 GO:0016567 GO:0016568 GO:0016574 GO:0016874 GO:0031493 GO:0032270 GO:0035064 GO:0042393 GO:0042787 GO:0042802 GO:0044729 GO:0045944 GO:0046872 GO:0051865 GO:0061630 GO:0090308 GO:2000373
270.070.5443.160.050.841wy8A GO:0003677 GO:0004842 GO:0005634 GO:0005654 GO:0005720 GO:0006511 GO:0007049 GO:0008270 GO:0008283 GO:0010216 GO:0016567 GO:0016874 GO:0030154 GO:0042393 GO:0046872 GO:0051726 GO:0051865 GO:0061630 GO:0071158 GO:0090308
280.070.5182.880.030.782bwfA GO:0005634 GO:0030433 GO:0030474 GO:0030674
290.070.4863.150.030.762q5wD GO:0000166 GO:0006777
300.070.5413.290.100.841v2yA GO:0005634 GO:0005654 GO:0005681 GO:0005689 GO:0005737 GO:0006397 GO:0008380 GO:0045171
310.070.5013.210.130.804wwmA GO:0005737 GO:0034227
320.070.4104.910.060.944a62A GO:0030541
330.060.4214.550.070.851huxA GO:0046872 GO:0051536 GO:0051539
340.060.3484.510.060.724f4eA GO:0003824 GO:0006520 GO:0008483 GO:0008793 GO:0009058 GO:0016740 GO:0030170 GO:0080130
350.060.3394.430.050.671o4sB GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
360.060.3654.670.040.752oqzA GO:0016020 GO:0016021 GO:0016787


Consensus prediction of GO terms		 
Molecular Function GO:0005198 GO:0016838
GO-Score 0.45 0.45
Biological Processes GO:0010467 GO:0043043 GO:0034645 GO:1901362 GO:0090407 GO:0019720 GO:0018130 GO:0009108
GO-Score 0.45 0.45 0.45 0.33 0.33 0.33 0.33 0.33
Cellular Component GO:0030529 GO:0044444 GO:0043232
GO-Score 0.45 0.45 0.45

(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.