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I-TASSER results for job id Rv1233c

[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
10.05 2 3wmm7 BCL Rep, Mult 183,187
20.05 2 4iuqA CVM Rep, Mult 138,156,196,197
30.02 1 3poyA BGC Rep, Mult 86,89,105
40.02 1 3fj5B PG4 Rep, Mult 135,152,153
50.02 1 1rcjA MA4 Rep, Mult 131,157,159,191
60.02 1 1y4jA UUU Rep, Mult 63,64
70.02 1 1mv0B III Rep, Mult 137,138,144,146,164,165,166,167,177,194,196
80.02 1 3lw5H CLA Rep, Mult 124,126
90.02 1 3k7tA GP7 Rep, Mult 81,82
100.02 1 3prqX CLA Rep, Mult 141,148
110.02 1 3wmnF BCL Rep, Mult 154,181
120.02 1 3a0bZ CLA Rep, Mult 161,164
130.02 1 1jb0K CLA Rep, Mult 174,179
140.02 1 3m6oA ZN Rep, Mult 29,196
150.02 1 3mytB EQU Rep, Mult 61,62
160.02 1 1cq1B CA Rep, Mult 3,4
170.02 1 3rbhD C8E Rep, Mult 155,179
180.02 1 4mpoH MG Rep, Mult 95,96
190.02 1 2a68P MG Rep, Mult 181,185

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
10.0602qy0C0.1535.300.0290.2533.4.21.41,3.4.21.42NA
20.0601jxaA0.2805.490.0260.4802.6.1.16NA
30.0602bf4A0.2835.510.0630.4901.6.2.4NA
40.0601ut9A0.2874.820.0540.4553.2.1.4NA
50.0603fjoA0.2715.690.0350.4751.6.2.4NA
60.0601e1yA0.2356.140.0150.4442.4.1.1NA
70.0601soxA0.2814.910.0480.4391.8.3.1NA
80.0602qf7A0.2825.660.0310.4956.4.1.1NA
90.0603dwbA0.2805.770.0390.5053.4.24.71NA
100.0601mosA0.2056.430.0470.3942.6.1.16NA
110.0601vcnA0.2985.390.0400.5156.3.4.2NA
120.0601moqA0.2135.130.0390.3382.6.1.1631
130.0603fegA0.2875.190.0510.4752.7.1.82122
140.0602ad5B0.2985.320.0170.5156.3.4.2NA
150.0602qf7B0.2316.220.0260.4396.4.1.1NA
160.0602gajB0.2795.260.0220.4655.99.1.2NA
170.0601n1hA0.2805.520.0520.4902.7.7.48NA
180.0603es9B0.2584.850.0240.3991.6.2.4NA
190.0603gpbA0.1965.470.0370.3182.4.1.1NA

(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
00.170.7962.890.100.971mv3A GO:0005634 GO:0005737 GO:0006897 GO:0006997 GO:0007275 GO:0008283 GO:0015629 GO:0016020 GO:0016032 GO:0030018 GO:0030100 GO:0030154 GO:0030315 GO:0030424 GO:0031674 GO:0033268 GO:0042692 GO:0042802 GO:0043065 GO:0043194 GO:0045664 GO:0048156 GO:0048711 GO:0051015 GO:0060987 GO:0060988 GO:0070063 GO:0071156
10.060.2493.190.120.312e5kA GO:0004721 GO:0004725 GO:0005634 GO:0005737 GO:0006469 GO:0009968 GO:0016787 GO:0035335 GO:0045670 GO:0045671 GO:0045779 GO:0051279 GO:0090331
20.060.2573.110.040.321wxuA GO:0000268 GO:0001561 GO:0001764 GO:0001967 GO:0002230 GO:0005777 GO:0005778 GO:0005779 GO:0006810 GO:0007626 GO:0015031 GO:0016020 GO:0016021 GO:0016560 GO:0021795 GO:0043231 GO:0060152 GO:0098779 GO:0098792
30.060.2483.880.040.332vgeA GO:0000122 GO:0003215 GO:0003229 GO:0003714 GO:0005634 GO:0005654 GO:0005737 GO:0005913 GO:0006351 GO:0006355 GO:0006915 GO:0008134 GO:0009791 GO:0030054 GO:0031076 GO:0035264 GO:0042633 GO:0042802 GO:0045171 GO:0045597 GO:0048871 GO:0060048 GO:0098609 GO:0098641 GO:1901796
40.060.2522.820.070.302k9gA GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005925 GO:0006897 GO:0006915 GO:0007010 GO:0007267 GO:0008360 GO:0016020 GO:0016477 GO:0017124 GO:0030054 GO:0030139 GO:0030659 GO:0031410 GO:0042059 GO:0043005 GO:0045202
50.060.2453.110.070.301udlA GO:0005070 GO:0005089 GO:0005509 GO:0005737 GO:0005813 GO:0006897 GO:0009967 GO:0030154 GO:0035023 GO:0043547 GO:0046872 GO:0070062 GO:1903861
60.060.2413.810.030.324a63B GO:0002039 GO:0005070 GO:0005634 GO:0005654 GO:0005737 GO:0005739 GO:0006915 GO:0007049 GO:0007165 GO:0017124 GO:0042802 GO:0042981 GO:0045786 GO:0048471 GO:0051059 GO:0072332 GO:1900119 GO:1900740 GO:1901216 GO:1901796
70.060.2412.910.100.292ed0A GO:0003677 GO:0005737 GO:0005829 GO:0005856 GO:0006928 GO:0007010 GO:0008093 GO:0008154 GO:0016032 GO:0016477 GO:0016601 GO:0017124 GO:0018108 GO:0019900 GO:0030027 GO:0030175 GO:0031209 GO:0031625 GO:0032403 GO:0042995 GO:0048365 GO:0070064 GO:2000601
80.060.2402.740.140.292lj0A GO:0001725 GO:0003779 GO:0005070 GO:0005158 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005856 GO:0005886 GO:0005899 GO:0005912 GO:0005913 GO:0005915 GO:0005924 GO:0005925 GO:0006810 GO:0006936 GO:0007015 GO:0007160 GO:0008092 GO:0008286 GO:0009967 GO:0015758 GO:0016020 GO:0016363 GO:0030054 GO:0032869 GO:0043149 GO:0045121 GO:0045725 GO:0046326 GO:0046889 GO:0048041 GO:0090004
90.060.2432.750.100.292rf0A GO:0000166 GO:0000186 GO:0003714 GO:0004672 GO:0004674 GO:0004706 GO:0004709 GO:0005524 GO:0005737 GO:0006468 GO:0006915 GO:0007165 GO:0007224 GO:0007254 GO:0007256 GO:0007257 GO:0008219 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0042803 GO:0043065 GO:0043425 GO:0043433 GO:0043507 GO:0045892 GO:0046330 GO:0046777
100.060.2212.940.110.272w10B GO:0005634 GO:0005654 GO:0005737 GO:0005768
110.060.2202.450.040.262a36A GO:0001700 GO:0004871 GO:0005070 GO:0005118 GO:0005654 GO:0005737 GO:0005886 GO:0007015 GO:0007165 GO:0007175 GO:0007256 GO:0007265 GO:0007476 GO:0007613 GO:0007614 GO:0008293 GO:0008306 GO:0008355 GO:0008360 GO:0008595 GO:0016020 GO:0030707 GO:0038202 GO:0043410 GO:0045500 GO:0045678
120.060.2282.830.080.272m0yA GO:0002244 GO:0005085 GO:0005096 GO:0005634 GO:0005654 GO:0005737 GO:0006909 GO:0006915 GO:0007010 GO:0007264 GO:0010634 GO:0016020 GO:0016477 GO:0017124 GO:0032045 GO:0043547 GO:1900026
130.060.2392.830.070.292lcsA GO:0000173 GO:0000200 GO:0005737 GO:0006469 GO:0006972 GO:0009408 GO:0030674
140.060.2323.230.080.293nmzC GO:0005085 GO:0005089 GO:0005737 GO:0005829 GO:0005886 GO:0016020 GO:0019904 GO:0030032 GO:0030676 GO:0032587 GO:0035023 GO:0035556 GO:0042995 GO:0043065 GO:0043547 GO:0046847 GO:0051056
150.060.2302.720.130.281k4uS GO:0001669 GO:0002479 GO:0005730 GO:0005737 GO:0005829 GO:0006801 GO:0006968 GO:0008022 GO:0009055 GO:0016175 GO:0032010 GO:0042554 GO:0043020 GO:0045087 GO:0045454 GO:0045730 GO:0048010 GO:0048365 GO:0055114
160.060.2202.740.070.261ujyA GO:0005085 GO:0005089 GO:0005096 GO:0005622 GO:0005829 GO:0006915 GO:0007254 GO:0030027 GO:0030032 GO:0035023 GO:0042995 GO:0043065 GO:0043547 GO:0051056
170.060.2332.430.110.272jteA GO:0001726 GO:0005172 GO:0005730 GO:0005737 GO:0005829 GO:0005856 GO:0005886 GO:0005911 GO:0005938 GO:0007049 GO:0007067 GO:0008013 GO:0008022 GO:0016050 GO:0016337 GO:0016477 GO:0017124 GO:0030139 GO:0031252 GO:0031941 GO:0032403 GO:0032911 GO:0042995 GO:0043161 GO:0043234 GO:0045296 GO:0048259 GO:0048471 GO:0051301 GO:0070062 GO:1900182 GO:2000249
180.060.2242.770.060.271s1nA GO:0005198 GO:0005737 GO:0005829 GO:0005856 GO:0005911 GO:0005912 GO:0005923 GO:0005929 GO:0007165 GO:0007283 GO:0007588 GO:0007632 GO:0016020 GO:0016337 GO:0030030 GO:0030036 GO:0030054 GO:0030154 GO:0031514 GO:0032391 GO:0042995 GO:0048515 GO:0060041


Consensus prediction of GO terms
 
Molecular Function GO:0032403 GO:0019899 GO:0003779
GO-Score 0.33 0.33 0.33
Biological Processes GO:0060627 GO:0044764 GO:0043068 GO:0006996 GO:0051128 GO:0044403 GO:0048710 GO:0061061 GO:0045687 GO:0010564 GO:0034622 GO:0007050 GO:0030182 GO:0042981 GO:0065005
GO-Score 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33 0.33
Cellular Component GO:0043231 GO:0005856 GO:0032994 GO:0030017 GO:0044304 GO:0044459 GO:0042383
GO-Score 0.54 0.33 0.33 0.33 0.33 0.33 0.33

(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.