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I-TASSER results for job id Rv3235

[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
10.11 6 5fw5A III Rep, Mult 103,104,107,108,110,111,114,115,118,128,131,132,201,203,204,205
20.06 3 1j30A OXY Rep, Mult 115,118,128
30.04 2 3fkaC UNL Rep, Mult 112,116,181,192,194,210
40.04 2 1e8vA CA Rep, Mult 118,128,131,133,138
50.02 1 3pyoY MG Rep, Mult 129,170
60.02 1 1r3nG BIB Rep, Mult 124,199,200
70.02 1 3d48R CO3 Rep, Mult 192,193
80.02 1 3wmnU CRT Rep, Mult 108,119
90.02 1 3q80A CDM Rep, Mult 172,173,193
100.02 1 3i9vH MN Rep, Mult 139,188
110.02 1 1u06A AZI Rep, Mult 176,205
120.02 1 2vwdB GBL Rep, Mult 102,163,164,165,177
130.02 1 1usxC UUU Rep, Mult 207,208,209,210
140.02 1 3i8hO MG Rep, Mult 125,128
150.02 1 2vi7C AZI Rep, Mult 186,187
160.02 1 2eulB ZN Rep, Mult 118,122
170.02 1 1gz7A GOL Rep, Mult 138,141,142,145

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
10.0601a4gA0.4265.360.0590.7093.2.1.18NA
20.0602wbiB0.4354.920.0520.6671.3.99.-NA
30.0603en1B0.4262.880.0990.5161.14.12.3,1.14.12.11124,133,159
40.0601n1hA0.4185.630.0150.7142.7.7.48107,118
50.0602ux0A0.4262.970.0860.5162.7.11.17136,206,208
60.0601j0mA0.4306.140.0690.7844.2.2.12NA
70.0601lpsA0.4425.780.0620.7653.1.1.3NA
80.0601rw9A0.4356.100.0800.8074.2.2.5NA
90.0601oygA0.4235.530.0650.7182.4.1.10NA
100.0601f1sA0.4186.240.0440.7894.2.2.1NA
110.0601c9uB0.4135.280.0370.6711.1.5.2,1.1.99.17NA
120.0601gz7C0.4305.820.0230.7513.1.1.3132
130.0601gz7A0.4315.610.0290.7423.1.1.3NA
140.0601thgA0.4135.820.0440.7283.1.1.3NA
150.0603kzwA0.4275.400.0620.7143.4.11.1106
160.0604stdA0.4342.560.1260.5124.2.1.94110
170.0601usrA0.4455.390.0650.7143.2.1.18107
180.0601izjA0.3915.560.0520.6483.2.1.135,3.2.1.1NA
190.0602welA0.3155.100.0490.4982.7.11.17NA

(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
00.100.5032.040.090.565d9rA GO:0009507 GO:0009528 GO:0009536 GO:0009658 GO:0009706 GO:0009941 GO:0010020 GO:0016020 GO:0016021 GO:0031357 GO:0043621
10.070.5014.540.060.723soaA GO:0000082 GO:0000165 GO:0000166 GO:0002931 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005739 GO:0005829 GO:0005886 GO:0006468 GO:0006816 GO:0007223 GO:0010666 GO:0016020 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0030054 GO:0030666 GO:0035254 GO:0038166 GO:0042734 GO:0042803 GO:0043547 GO:0045202 GO:0046777 GO:0046928 GO:0048168 GO:0051092 GO:0051928 GO:0060333 GO:0097481 GO:1900034 GO:1902108
20.070.4604.260.040.654xzzA GO:0016740
30.060.4233.190.110.525ig0A GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
40.060.4323.170.080.545ig5F GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
50.060.4262.970.090.522ux0A GO:0000082 GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0004723 GO:0005088 GO:0005516 GO:0005524 GO:0005654 GO:0005829 GO:0005886 GO:0006468 GO:0006470 GO:0006816 GO:0007275 GO:0007399 GO:0014733 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0030073 GO:0030154 GO:0030666 GO:0033017 GO:0042803 GO:0043547 GO:0046777 GO:0051259 GO:0051924 GO:0060333 GO:0097481 GO:1900034 GO:1901897
60.060.4222.940.090.525ig4E GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0006468 GO:0016301 GO:0016310 GO:0016740
70.060.4243.120.100.522w2cH GO:0000082 GO:0000165 GO:0000166 GO:0001558 GO:0001666 GO:0002026 GO:0002028 GO:0003254 GO:0004672 GO:0004674 GO:0004683 GO:0005088 GO:0005516 GO:0005524 GO:0005634 GO:0005654 GO:0005737 GO:0005829 GO:0005886 GO:0006357 GO:0006468 GO:0006816 GO:0008016 GO:0010389 GO:0010613 GO:0010649 GO:0010666 GO:0010880 GO:0010881 GO:0014704 GO:0014911 GO:0016020 GO:0016301 GO:0016310 GO:0016529 GO:0016740 GO:0018105 GO:0018107 GO:0019871 GO:0030007 GO:0030315 GO:0030666 GO:0031432 GO:0031594 GO:0032469 GO:0033017 GO:0034704 GO:0035022 GO:0042383 GO:0042803 GO:0043025 GO:0043194 GO:0043234 GO:0043547 GO:0044325 GO:0046777 GO:0048471 GO:0048661 GO:0050998 GO:0051259 GO:0055119 GO:0060048 GO:0060314 GO:0060333 GO:0060341 GO:0061049 GO:0070374 GO:0071277 GO:0086003 GO:0086091 GO:0098901 GO:0098909 GO:1900034 GO:1901725 GO:1901844 GO:1901897 GO:1902306 GO:1902514 GO:2000650
80.060.4183.090.090.522f86B GO:0000165 GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005516 GO:0005524 GO:0005737 GO:0006468 GO:0010628 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0018107 GO:0030424 GO:0042995 GO:0043005 GO:0043204 GO:0044325 GO:0046872 GO:0072375 GO:1904115
90.060.4222.940.140.513h51A GO:0004683 GO:0005516 GO:0006468
100.060.3665.590.050.634uakA GO:0000166 GO:0000287 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005856 GO:0005886 GO:0005911 GO:0006468 GO:0007010 GO:0007163 GO:0007165 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0017048 GO:0030036 GO:0030054 GO:0031032 GO:0031252 GO:0031532 GO:0035556 GO:0042641 GO:0046872 GO:0070062
110.060.3495.970.060.614g3cB GO:0000165 GO:0000166 GO:0000186 GO:0004672 GO:0004674 GO:0004704 GO:0004709 GO:0005524 GO:0005737 GO:0006468 GO:0006955 GO:0007249 GO:0016301 GO:0016310 GO:0016740 GO:0038061 GO:0043123 GO:0071260
120.060.3575.860.030.634aw2A GO:0000166 GO:0000287 GO:0004672 GO:0004674 GO:0005524 GO:0005737 GO:0005911 GO:0006468 GO:0007010 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0031032 GO:0031252 GO:0031532 GO:0035556 GO:0042641 GO:0042802 GO:0046872 GO:0051056
130.060.3666.000.040.684wb7A GO:0000086 GO:0000166 GO:0001671 GO:0001707 GO:0001843 GO:0002027 GO:0002223 GO:0003091 GO:0004672 GO:0004674 GO:0004691 GO:0004712 GO:0005524 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005794 GO:0005813 GO:0005829 GO:0005886 GO:0005913 GO:0005929 GO:0005952 GO:0006397 GO:0006457 GO:0006468 GO:0006986 GO:0007596 GO:0008284 GO:0010881 GO:0016020 GO:0016301 GO:0016310 GO:0016607 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0030544 GO:0031514 GO:0031588 GO:0031594 GO:0031625 GO:0032403 GO:0032781 GO:0034199 GO:0034237 GO:0034704 GO:0035584 GO:0042157 GO:0042995 GO:0043005 GO:0043234 GO:0043393 GO:0043457 GO:0044853 GO:0045667 GO:0046777 GO:0046827 GO:0048240 GO:0048471 GO:0050804 GO:0051082 GO:0051085 GO:0051087 GO:0051117 GO:0051447 GO:0051480 GO:0051966 GO:0055117 GO:0060314 GO:0061136 GO:0070062 GO:0070389 GO:0070613 GO:0071158 GO:0071333 GO:0071374 GO:0071377 GO:0071872 GO:0086064 GO:0090084 GO:0097225 GO:0097546 GO:0098609 GO:0098641 GO:1900034 GO:1901621 GO:1903779 GO:2000810
140.060.3635.750.110.633plsA GO:0000166 GO:0001725 GO:0002376 GO:0004672 GO:0004713 GO:0004714 GO:0005011 GO:0005524 GO:0005773 GO:0005886 GO:0005887 GO:0006468 GO:0006928 GO:0006952 GO:0007165 GO:0007169 GO:0007338 GO:0008284 GO:0009615 GO:0009986 GO:0016020 GO:0016021 GO:0016301 GO:0016310 GO:0016740 GO:0018108 GO:0019899 GO:0038145 GO:0043406 GO:0045087 GO:0048012 GO:0051897
150.060.3575.810.020.631y57A GO:0000166 GO:0002223 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005070 GO:0005080 GO:0005102 GO:0005158 GO:0005178 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005743 GO:0005764 GO:0005770 GO:0005829 GO:0005856 GO:0005884 GO:0005886 GO:0005901 GO:0005913 GO:0006468 GO:0007049 GO:0007155 GO:0007165 GO:0007172 GO:0007173 GO:0007179 GO:0007229 GO:0007417 GO:0008022 GO:0008283 GO:0009612 GO:0009615 GO:0010447 GO:0010628 GO:0010632 GO:0010634 GO:0010641 GO:0010907 GO:0014069 GO:0014911 GO:0016020 GO:0016032 GO:0016301 GO:0016310 GO:0016337 GO:0016477 GO:0016740 GO:0018105 GO:0018108 GO:0019899 GO:0019900 GO:0019901 GO:0019904 GO:0020037 GO:0022407 GO:0030168 GO:0030331 GO:0030520 GO:0030900 GO:0031234 GO:0031295 GO:0031648 GO:0031667 GO:0031954 GO:0032148 GO:0032211 GO:0032403 GO:0032463 GO:0032587 GO:0032869 GO:0033146 GO:0033625 GO:0034332 GO:0034446 GO:0034614 GO:0035556 GO:0036035 GO:0036120 GO:0038083 GO:0038096 GO:0038128 GO:0042127 GO:0042169 GO:0042493 GO:0042542 GO:0043005 GO:0043065 GO:0043066 GO:0043114 GO:0043149 GO:0043154 GO:0043393 GO:0043406 GO:0043552 GO:0044325 GO:0045056 GO:0045087 GO:0045124 GO:0045453 GO:0045737 GO:0045785 GO:0045892 GO:0045893 GO:0046628 GO:0046777 GO:0046875 GO:0048008 GO:0048010 GO:0048011 GO:0048013 GO:0048471 GO:0048477 GO:0050715 GO:0050731 GO:0050839 GO:0050847 GO:0050900 GO:0051219 GO:0051222 GO:0051385 GO:0051427 GO:0051602 GO:0051726 GO:0051895 GO:0051897 GO:0051902 GO:0051974 GO:0060065 GO:0060444 GO:0060491 GO:0070062 GO:0070374 GO:0070542 GO:0070555 GO:0070851 GO:0071222 GO:0071375 GO:0071393 GO:0071398 GO:0071456 GO:0071498 GO:0071560 GO:0071801 GO:0071803 GO:0071902 GO:0086098 GO:0090263 GO:0097110 GO:0098641 GO:1902533 GO:2000394 GO:2000573 GO:2000641 GO:2000811 GO:2001237 GO:2001243 GO:2001286
160.060.3505.850.070.612ptkA GO:0000166 GO:0002376 GO:0004672 GO:0004713 GO:0004715 GO:0005102 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005743 GO:0005764 GO:0005768 GO:0005770 GO:0005829 GO:0005856 GO:0005884 GO:0005886 GO:0005901 GO:0006468 GO:0007049 GO:0007155 GO:0007173 GO:0007179 GO:0007229 GO:0007417 GO:0010008 GO:0010632 GO:0010634 GO:0016020 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018108 GO:0019899 GO:0019900 GO:0019903 GO:0019904 GO:0020037 GO:0022407 GO:0030520 GO:0030900 GO:0031234 GO:0031648 GO:0032211 GO:0032463 GO:0032587 GO:0033146 GO:0034446 GO:0034614 GO:0035556 GO:0036035 GO:0036120 GO:0038083 GO:0042127 GO:0042169 GO:0043066 GO:0043149 GO:0043154 GO:0043393 GO:0044325 GO:0045087 GO:0045453 GO:0046777 GO:0046875 GO:0048008 GO:0048013 GO:0048471 GO:0048477 GO:0050847 GO:0051219 GO:0051427 GO:0051726 GO:0051897 GO:0051902 GO:0051974 GO:0060065 GO:0060491 GO:0070062 GO:0070374 GO:0070555 GO:0070851 GO:0071375 GO:0071498 GO:0071560 GO:0071801 GO:0071803 GO:0071902 GO:0086098 GO:0090263 GO:0097110 GO:2000394 GO:2000641 GO:2000811 GO:2001237 GO:2001243 GO:2001286
170.060.3235.780.050.564nm5A GO:0000166 GO:0000320 GO:0001085 GO:0001837 GO:0001954 GO:0002039 GO:0004672 GO:0004674 GO:0005178 GO:0005524 GO:0005634 GO:0005737 GO:0005739 GO:0005813 GO:0005829 GO:0005886 GO:0005975 GO:0005977 GO:0006349 GO:0006468 GO:0006611 GO:0006983 GO:0007163 GO:0007212 GO:0007275 GO:0007399 GO:0007409 GO:0007520 GO:0007568 GO:0007623 GO:0008013 GO:0008134 GO:0009887 GO:0009968 GO:0010226 GO:0010614 GO:0010800 GO:0010918 GO:0010975 GO:0010977 GO:0014043 GO:0014823 GO:0014902 GO:0016020 GO:0016055 GO:0016301 GO:0016310 GO:0016477 GO:0016740 GO:0018105 GO:0018107 GO:0019901 GO:0021766 GO:0030010 GO:0030154 GO:0030424 GO:0030425 GO:0030426 GO:0030516 GO:0030529 GO:0030877 GO:0031333 GO:0031334 GO:0031625 GO:0032091 GO:0032092 GO:0032355 GO:0032436 GO:0032868 GO:0032886 GO:0033138 GO:0034236 GO:0034392 GO:0035255 GO:0035372 GO:0035556 GO:0035729 GO:0036016 GO:0036018 GO:0042493 GO:0043025 GO:0043065 GO:0043066 GO:0043161 GO:0043197 GO:0043198 GO:0043227 GO:0043234 GO:0043407 GO:0043525 GO:0043547 GO:0044027 GO:0044297 GO:0044337 GO:0045121 GO:0045444 GO:0045719 GO:0045732 GO:0045773 GO:0045944 GO:0046777 GO:0046827 GO:0048156 GO:0048168 GO:0048471 GO:0048511 GO:0048661 GO:0048814 GO:0050321 GO:0050770 GO:0050774 GO:0051001 GO:0051059 GO:0051534 GO:0060070 GO:0070059 GO:0070301 GO:0071109 GO:0071260 GO:0071282 GO:0071285 GO:0071871 GO:0090090 GO:0097192 GO:0097481 GO:0099565 GO:1900034 GO:1900181 GO:1901030 GO:1901216 GO:1902065 GO:1903351 GO:1904339 GO:1904885 GO:1904886 GO:1990418 GO:1990478 GO:1990776 GO:1990909 GO:2000077 GO:2000171 GO:2000463 GO:2000466 GO:2000573 GO:2000738 GO:2001223
180.060.3186.100.040.594idtB GO:0000165 GO:0000166 GO:0000186 GO:0004672 GO:0004674 GO:0004702 GO:0004704 GO:0004709 GO:0005524 GO:0005737 GO:0005829 GO:0006468 GO:0006955 GO:0007249 GO:0016301 GO:0016310 GO:0016740 GO:0023014 GO:0031295 GO:0033209 GO:0038061 GO:0043123 GO:0071260


Consensus prediction of GO terms
 
Molecular Function GO:0035639 GO:0032550 GO:0032559 GO:0005515 GO:0004674
GO-Score 0.37 0.37 0.37 0.37 0.37
Biological Processes GO:0016310 GO:0006464
GO-Score 0.37 0.37
Cellular Component GO:0031357 GO:0030666 GO:0042734 GO:0005739 GO:0005829 GO:0014069 GO:0030054 GO:0005654
GO-Score 0.10 0.07 0.07 0.07 0.07 0.07 0.07 0.07

(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.