>protein (180 residues) MLELAILGLLIESPMHGYELRKRLTGLLGAFRAFSYGSLYPALRRMQADGLIAENAAPAG TPVRRARRVYQLTDKGRRRFGELVADTGPHNYTDDGFGVHLAFFNRTPAEARMRILEGRR RQVEERREGLREAVARASSSFDRYTRQLHQLGLESSEREVKWLNELIAAERAAPNPAEQT |
Sequence |
20 40 60 80 100 120 140 160 180 | | | | | | | | | MLELAILGLLIESPMHGYELRKRLTGLLGAFRAFSYGSLYPALRRMQADGLIAENAAPAGTPVRRARRVYQLTDKGRRRFGELVADTGPHNYTDDGFGVHLAFFNRTPAEARMRILEGRRRQVEERREGLREAVARASSSFDRYTRQLHQLGLESSEREVKWLNELIAAERAAPNPAEQT |
Prediction | CHHHHHHHHHHHCCCCHHHHHHHHHHHHCCEEHCCCCHHHHHHHHHHHHCCEEEEEEHCCCCCCCCCEEEEHCHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCC |
Conf.Score | 777999999985999999999999999898676898668999999999899789999668899988658987888999999999878888877778999999976599999999999999999999999999999756789999999999999999999999999999999866666789 |
H:Helix; S:Strand; C:Coil | |
Sequence |
20 40 60 80 100 120 140 160 180 | | | | | | | | | MLELAILGLLIESPMHGYELRKRLTGLLGAFRAFSYGSLYPALRRMQADGLIAENAAPAGTPVRRARRVYQLTDKGRRRFGELVADTGPHNYTDDGFGVHLAFFNRTPAEARMRILEGRRRQVEERREGLREAVARASSSFDRYTRQLHQLGLESSEREVKWLNELIAAERAAPNPAEQT |
Prediction | 524100410045473325402520373154215044211240353037532043433556687445121040175126204511652474734433000001103414473025105511640462154046325635752440231014201321421151055016305746556878 |
Values range from 0 (buried residue) to 8 (highly exposed residue) | |
(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. (Click here to read more about predicted normalized B-factor)
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Rank | PDB Hit | Iden1 | Iden2 | Cov | Norm. Zscore | DownloadAlign. | 20 40 60 80 100 120 140 160 180 | | | | | | | | | | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sec.Str Seq | CHHHHHHHHHHHCCCCHHHHHHHHHHHHCCEEHCCCCHHHHHHHHHHHHCCEEEEEEHCCCCCCCCCEEEEHCHHHHHHHHHHHHCCCCCCCCCCHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCC MLELAILGLLIESPMHGYELRKRLTGLLGAFRAFSYGSLYPALRRMQADGLIAENAAPAGTPVRRARRVYQLTDKGRRRFGELVADTGPHNYTDDGFGVHLAFFNRTPAEARMRILEGRRRQVEERREGLREAVARASSSFDRYTRQLHQLGLESSEREVKWLNELIAAERAAPNPAEQT | |||||||||||||||||
1 | 3l9fA | 0.23 | 0.21 | 0.93 | 2.88 | MUSTER | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
2 | 3l9fA | 0.22 | 0.21 | 0.93 | 3.61 | dPPAS | QGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
3 | 3l9fA | 0.23 | 0.21 | 0.93 | 5.20 | wdPPAS | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
4 | 3l9fA | 0.22 | 0.21 | 0.93 | 3.48 | wMUSTER | QGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
5 | 3l9fA | 0.23 | 0.21 | 0.93 | 4.71 | wPPAS | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
6 | 3l9fA | 0.23 | 0.21 | 0.93 | 9.61 | dPPAS2 | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
7 | 3l9fA | 0.23 | 0.21 | 0.93 | 3.67 | PPAS | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
8 | 3l9fA | 0.23 | 0.21 | 0.93 | 4.61 | Env-PPAS | MGKDIILGILSKKERSGYEINDILQNQLSYFYDGTYGMIYPTLRKLEKDGKITKEVVIQD--GRPNKNIYAITESGKKELASYLQSDVNDEIFKSDFLMRLFFGNSLNDDDLEQLIREEIERKEEKIKRLSENLEIWKGELTPTQEITIKYGLAQYKSTKKVLEEELAK----------- | |||||||||||
9 | 1yg2A | 0.23 | 0.21 | 0.91 | 2.53 | MUSTER | SLPHVILTVLSTRDATGYDITKEFSASIGYFWKASHQQVYRELNKMGEQGLVTCV-----------LEVYSITQAGRSALGEWFDQPTAHPTVRDEFSAKLMACSVQSAEPYRLQLAELVEESRKLVAHYQEIEAAYYANPARLERLTLRRNLLVRQAWIQWADEVLAELNAMA------ | |||||||||||
10 | 1yg2A | 0.23 | 0.21 | 0.91 | 3.15 | dPPAS | SLPHVILTVLSTRDATGYDITKEFSASIGYFWKASHQQVYRELNKMGEQGLVTCV-----------LEVYSITQAGRSALGEWFDQPTAHPTVRDEFSAKLMACSVQSAEPYRLQLAELVEESRKLVAHYQEIEAAYYANPARLERLTLRRNLLVRQAWIQWADEVLAELNAMA------ | |||||||||||
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(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.)
Top 10 Identified stuctural analogs in PDB
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(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 |
---|---|---|---|---|---|---|
1 | 0.04 | 2 | 2h23A | M3L | Rep, Mult | 6,7,8,11,12,13,52,70 |
2 | 0.04 | 2 | 2cbjA | OAN | Rep, Mult | 4,5,83 |
3 | 0.04 | 2 | 3bvdA | XE | Rep, Mult | 113,116,166,167 |
4 | 0.04 | 2 | 1nf4C | FEC | Rep, Mult | 120,127,128,131,135,150,157,158,161 |
5 | 0.04 | 2 | 3b6aD | ZCT | Rep, Mult | 153,154 |
6 | 0.04 | 2 | 3f8fA | DM1 | Rep, Mult | 4,80,83,84,87 |
7 | 0.02 | 1 | 5dnmG | RAX | Rep, Mult | 125,128 |
8 | 0.02 | 1 | 5da5E | GOA | Rep, Mult | 122,126,156 |
9 | 0.02 | 1 | 3q8mA | NUC | Rep, Mult | 40,119 |
10 | 0.02 | 1 | 3f38A | 2MY | Rep, Mult | 35,36,77 |
11 | 0.02 | 1 | 2bkoA | CA | Rep, Mult | 124,157,161 |
12 | 0.02 | 1 | 4brbB | 78N | Rep, Mult | 102,109,112 |
13 | 0.02 | 1 | 3rf3A | III | Rep, Mult | 6,17,21 |
14 | 0.02 | 1 | 3hd7F | GGG | Rep, Mult | 158,161 |
15 | 0.02 | 1 | 2rb1X | 261 | Rep, Mult | 67,70 |
16 | 0.02 | 1 | 2idkB | C2F | Rep, Mult | 38,40 |
17 | 0.02 | 1 | 3u24A | IMD | Rep, Mult | 45,48,49 |
18 | 0.02 | 1 | 5l8gT | CA | Rep, Mult | 130,152,156 |
19 | 0.02 | 1 | 2cbjB | OAN | Rep, Mult | 24,25,34 |
20 | 0.02 | 1 | 4mteA | NUC | Rep, Mult | 18,40,54,70 |
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 |
Rank | CscoreEC | PDB Hit | TM-score | RMSDa | IDENa | Cov | EC Number | Active Site Residues |
---|---|---|---|---|---|---|---|---|
1 | 0.060 | 1bg7A | 0.324 | 2.44 | 0.013 | 0.372 | 1.16.3.1 | 124 |
2 | 0.060 | 1g8mA | 0.444 | 3.57 | 0.079 | 0.600 | 3.5.4.10,2.1.2.3 | NA |
3 | 0.060 | 1xzpA | 0.437 | 4.39 | 0.106 | 0.600 | 3.6.5.- | 69 |
4 | 0.060 | 1z0hB | 0.264 | 5.73 | 0.041 | 0.483 | 3.4.24.69 | 19 |
5 | 0.060 | 1yqwR | 0.443 | 5.08 | 0.043 | 0.739 | 1.12.2.1 | 117 |
6 | 0.060 | 2wyhA | 0.435 | 4.81 | 0.035 | 0.644 | 3.2.1.24 | NA |
7 | 0.060 | 2htnG | 0.447 | 3.48 | 0.165 | 0.567 | 1.16.3.1 | 32 |
8 | 0.060 | 1syyA | 0.449 | 5.11 | 0.044 | 0.744 | 1.17.4.1 | NA |
9 | 0.060 | 2rccA | 0.433 | 5.12 | 0.030 | 0.728 | 1.17.4.1 | NA |
10 | 0.060 | 1xjjA | 0.435 | 4.94 | 0.032 | 0.706 | 1.17.4.1 | 26 |
11 | 0.060 | 2d0tB | 0.453 | 4.30 | 0.050 | 0.633 | 1.13.11.52 | NA |
12 | 0.060 | 2frvD | 0.454 | 4.96 | 0.049 | 0.744 | 1.12.2.1 | 6,8 |
13 | 0.060 | 1mhyD | 0.442 | 5.35 | 0.029 | 0.761 | 1.14.13.25 | NA |
14 | 0.060 | 1p4rA | 0.439 | 3.64 | 0.086 | 0.600 | 2.1.2.3,3.5.4.10 | NA |
15 | 0.060 | 3gehA | 0.437 | 3.64 | 0.034 | 0.578 | 3.6.-.- | NA |
16 | 0.060 | 1mfrW | 0.429 | 4.16 | 0.054 | 0.594 | 1.16.3.1 | 83 |
17 | 0.060 | 2bq1I | 0.439 | 5.10 | 0.063 | 0.733 | 1.17.4.1 | NA |
18 | 0.060 | 2j62A | 0.500 | 4.02 | 0.042 | 0.689 | 3.2.1.52 | 39 |
19 | 0.060 | 3ee4A | 0.480 | 3.72 | 0.082 | 0.628 | 1.17.4.1 | NA |
(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 |
Consensus prediction of GO terms | ||||||||||||||||||||||
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(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. |
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. |