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# D-I-TASSER results for Q6QHF9-D1

#### [Click result.zip to download all results on this page]

Input Sequence in FASTA format

>Q6QHF9 (285 residues) MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCF GGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPED TVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTF FDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQ ILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL

Predicted Secondary Structure

Sequence

20 40 60 80 100 120 140 160 180 200 220 240 260 280
| | | | | | | | | | | | | |
MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL
Prediction
CCCCCCCCCCCCCCCSSSSCCCHHHHHHHHHHHHHCCCCCSSSSSCCCCCCCSSSSSSSCCSSSCCCCSSSSSCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHCCCCCCCCCCSCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCSSSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCC
Confidence 988877667899980999878499999999999818997289996678768568568739954114635775147785223211012333322123455322367754311222111024677642011010244322222233443100001365201100112234689999873101354445443102332011333554301576444678999899999972567677788863899632346788751457999999999999998634457899999
H:Helix; S:Strand; C:Coil
Predicted Solvent Accessibility

Sequence | 20 40 60 80 100 120 140 160 180 200 220 240 260 280 | | | | | | | | | | | | | | MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL
Prediction | 554466456557403000000110000002202756432301000033301010203514423333012001222432222222222312222222223222233222202212432422222034323333332223222222222213221320321222420332223202422433234424423142234233343342202110102212213441142034024465453401000001002562300000002002400430062047616524468
| Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map | Distance Map | Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Top 10 threading templates used by D-I-TASSER

Rank | PDB hit | ID1 | ID2 | Cov | Norm. Zscore | Downloadalignment |  | 20 40 60 80 100 120 140 160 180 200 220 240 260 280 | | | | | | | | | | | | | |
| SS Seq | CCCCCCCCCCCCCCCSSSSCCCHHHHHHHHHHHHHCCCCCSSSSSCCCCCCCSSSSSSSCCSSSCCCCSSSSSCCCCCCHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCSCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHCCCCCCCCCCSCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCSSSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCC MESTGSVGEAPGGPRVLVVGGGIAGLGAAQRLCGHSAFPHLRVLEATARAGGRIRSERCFGGVVEVGAHWIHGPSRGNPVFQLAAEYGLLGEKELSGLDCTFSKGYQGLTNCMMAALPEDTVVFEKPVKTIHWNGSFQEAAFPGETFPVSVECEDGDRFPAHHVIVTVPLGFLREHLDTFFDPPLPAEKAEAIRKIGFGRWHSAPYTRGSYSYVAVGSTGGDLDLLAQPLPADGAGAQLQILFAGEATHRTFYSTTHGALLSGWREADRLLSLWAPQVQQPRPRL
1 | 5mbxA | 0.82 | 0.73 | 20.60 | 1.33 | DEthreader |  | ------------G P R V L V V GSG I A G L G A A QKL CS---AP H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L G E K E LNVGD CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F-------E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKLG F GTNNWA P Y T R G S Y S Y V A V G S T GDD L D LMA Q P L P------GL QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WDSQ VEQSR---
2 | 5mbxA2 | 0.81 | 0.69 | 19.51 | 1.83 | SPARKS-K |  | ------------G P R V L V V GSG I A G L G A A QKL CSA---P H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L GYTVLPG L D CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F Q E A A F P G E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKLTG----------------------DD L D LMA Q P L P------GL QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WDSQ VEQSR P R L
3 | 5mbxA | 0.84 | 0.76 | 21.46 | 0.61 | MapAlign |  | ------------G P R V L V V GSG I A G L G A A QKL C---SAP H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L G E K E LPG L D CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F Q E A A F P G E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKLG F GTW H S A P Y T R G S Y S Y V A V G S T GDD L D LMA Q P L------PGL QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WDSQ V-------
4 | 4fweA4 | 0.33 | 0.29 | 8.64 | 0.61 | CEthreader |  | GADQYLLPKDYHNKSVIIIGAGPA G LAA ARQLHNFG--IKVTV L E AKDRIG G RVWDDKSFKG VTVGRGAQIVNGCINN P VALMCEQLGISMHKFFAGDHTLLTPG YSVIIEKLAEGL---DIQLKSP VQCIDYSGD-----------EVQVTTTD GTGYSAQKVLV T V P LALLQKGA-IQFNP P LSEKKMKA INSLGAGIWSTDPWIQMAY SFVKTGGSGEAYDIIAEDI-------QGTVFF A G E A TNRHFPQTVTG AYL S GVR E ASKIAAF------------
5 | 5mbxA2 | 0.83 | 0.70 | 19.70 | 1.51 | MUSTER |  | ------------G P R V L V V GSG I A G L G A A QKL CS----P H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L GYTVLPG L D CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F Q E A A F P G E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKL----------------------T GDD L D LMA Q P L PG------L QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WDSQ VEQSR P R L
6 | 4fweA | 0.34 | 0.29 | 8.83 | 1.25 | HHsearch |  | LSDQYLLPKDYHNKSVIIIGAGPA G LAA ARQLHN-FGI-KVTV L E AKDRIG G RVWDDKSF GVTVGRG AQIVNGC-INN P VALMCEQLGISMHKFGEGDHTLLTPG YSVIIEKLAEGL---DIQLKSP VQCIDYSGD-----------EVQVTTTD GTGYSAQKVLV T V P LALLQKG-AIQFNP P LSEKKMKA INSLGAG R WSTDPWIQMAY SFVKTGGSGEAYDIIAEDIQG-------TVFF A G E A TNRHFPQTVTG AYL S GVR E ASKIAAF------------
7 | 5mbxA | 0.83 | 0.76 | 21.58 | 1.91 | FFAS-3D |  | ------------G P R V L V V GSG I A G L G A A QKL CSAP---H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L G ETVLPG L D CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F Q E A A F P G E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKLG FSQW H S A P Y T R G S Y S Y V A V G S T GDD L D LMA Q P L------PGL QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WDSQ VEQSR P R L
8 | 4iv9A1 | 0.19 | 0.18 | 5.67 | 0.78 | EigenThreader |  | EMTGGIGSAGTPTP R VAIV GAG ISG LVA ATELLRAGVKDV-VLYESRDRIG G RVWSQVFPRYIAEMG AMRFPPS--ATGLFHYLKKFGITSTTFYQSDQRLIPDGISSLAARLADQGKRDRVCFSRVGRISREAE-------------KIIIQTAGEQRVFDRV I V TSSNRAMQMIHCLTDESFLSRDVARAVRETHLTGLTDP-HSAGAFKLNYPGEDVYSQRLFFQ PMTANSPNKDTGLYLA GCSCSF-AGGWIEG AVQTALNSACAVLRSTGGCINASYRY-
9 | 5laeA | 0.84 | 0.76 | 21.36 | 2.29 | CNFpred |  | ------------G P R V L V V GSG I A G L G A A QKL CSHRAAP H L R V L E A T ASA G G R I R S E R C F G G V V ELG A H W I H G P SQDN P V F Q L A A EFG L L G ETVLPG L D CILAGG Y Q G L TDRILASL PKD T VAFDK P V K T I H W N G S F Q E A A F P G E T F P VLV E C E D GARLP A H H V I V T V P L G F LKE HQD T F FEP P L P AKK A E A IKKLG F GTW H S A P Y T R G S Y S Y V A V G S T GDD L D LMA Q P L P------GL QVL F A G E A T H R T F Y S T T H G A L L S G W R E A D R LVS L WD----------
10 | 2x0lA | 0.32 | 0.28 | 8.55 | 1.33 | DEthreader |  | ----------KKTGKVIIIGSGVSG LAA ARQLQS-FGM-DVTLL E ARDRVG G RVATFRKGNYVADLG AMVVTG-LGG N PMAVVSKQ-VNMELAKIKGSHLTVRNG YSCVPVALAE-GL--DIKLNTAVRQVRYT--A--------S-GCEVIAVQTFIYKCDAVLCTLP L GVLKQPPAVQFVP P L PEWKTSAVQRMG F GNLRWDPWAR G S Y S Y V AAG SSGNDYD LMA Q PITPGPPQPIPRLFF A G EHTIRNYPATVH G A L L S GLR E AGRIADQFLG-AM------
(a) | ID1 is the number of template residues identical to query divided by number of aligned residues.
(b) | ID2 is the number of template residues identical to query divided by query sequence length.
(c) | Cov is equal the number of aligned template residues divided by query sequence length.
(d) | Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment and is highlighted in bold.
(e) | Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f) | Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view | Ranka | Download | Estimated TM-scoreb
| 1 | model1.pdb.gz | 0.8574
(a) | D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.
(b) | The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

| Top 10 structural analogs in PDB (as identified by TM-align)
Click to view | Rank | PDB Hit | TM-score | RMSDa | IDENa | Cov. | Download Alignment
--- | --- | --- | --- | --- | --- | --- | ---
| 1 | 5mbxA | 0.92 | 0.73 | 0.841 | 0.926 | model1_5mbxA.pdb.gz
| 2 | 2x0lA | 0.84 | 2.38 | 0.322 | 0.909 | model1_2x0lA.pdb.gz
| 3 | 4fweA | 0.83 | 1.70 | 0.327 | 0.870 | model1_4fweA.pdb.gz
| 4 | 4iv9A | 0.80 | 2.74 | 0.220 | 0.895 | model1_4iv9A.pdb.gz
| 5 | 1b5qB | 0.80 | 2.11 | 0.298 | 0.860 | model1_1b5qB.pdb.gz
| 6 | 3bnmB | 0.80 | 2.16 | 0.317 | 0.863 | model1_3bnmB.pdb.gz
| 7 | 7e0cA | 0.79 | 2.37 | 0.220 | 0.867 | model1_7e0cA.pdb.gz
| 8 | 3x0vA | 0.79 | 2.62 | 0.208 | 0.888 | model1_3x0vA.pdb.gz
| 9 | 3we0A1 | 0.79 | 2.92 | 0.184 | 0.895 | model1_3we0A1.pdb.gz
| 10 | 2iidA | 0.79 | 2.06 | 0.263 | 0.853 | model1_2iidA.pdb.gz
(a) | Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b) | Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(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 the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)
GO term | CscoreGO | Name
GO:0003824 | 0.98 | catalytic activity
GO:0016491 | 0.92 | oxidoreductase activity
GO:0050660 | 0.71 | flavin adenine dinucleotide binding
GO:0034648 | 0.70 | histone demethylase activity (H3-dimethyl-K4 specific)
GO:0005102 | 0.57 | receptor binding
GO:0008134 | 0.56 | transcription factor binding
GO:0003682 | 0.56 | chromatin binding
GO:0061752 | 0.54 | telomeric repeat-containing RNA binding
GO:0050681 | 0.54 | androgen receptor binding
GO:0044212 | 0.54 | transcription regulatory region DNA binding
GO:0043426 | 0.54 | MRF binding
GO:0042162 | 0.54 | telomeric DNA binding
GO:0032454 | 0.54 | histone demethylase activity (H3-K9 specific)
GO:0030374 | 0.54 | ligand-dependent nuclear receptor transcription coactivator activity
GO:0019899 | 0.54 | enzyme binding
GO:0002039 | 0.54 | p53 binding
GO:0004407 | 0.53 | histone deacetylase activity
GO:0003700 | 0.53 | transcription factor activity, sequence-specific DNA binding
GO:0001085 | 0.53 | RNA polymerase II transcription factor binding
Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Biological Process (BP)

GO term | CscoreGO | Name
GO:0008152 | 0.98 | metabolic process
GO:0044699 | 0.95 | single-organism process
GO:0044710 | 0.93 | single-organism metabolic process
GO:0055114 | 0.89 | oxidation-reduction process
GO:0044237 | 0.84 | cellular metabolic process
GO:0071704 | 0.83 | organic substance metabolic process
GO:0044763 | 0.76 | single-organism cellular process
GO:0044238 | 0.75 | primary metabolic process
GO:0044260 | 0.72 | cellular macromolecule metabolic process
GO:0016043 | 0.72 | cellular component organization
GO:0034720 | 0.71 | histone H3-K4 demethylation
GO:0016568 | 0.68 | chromatin modification
GO:0065007 | 0.65 | biological regulation
GO:0050789 | 0.63 | regulation of biological process
GO:0080090 | 0.62 | regulation of primary metabolic process
GO:0031323 | 0.62 | regulation of cellular metabolic process
GO:0051171 | 0.61 | regulation of nitrogen compound metabolic process
GO:0048856 | 0.61 | anatomical structure development
GO:0044767 | 0.61 | single-organism developmental process
GO:0031326 | 0.61 | regulation of cellular biosynthetic process
GO:0065008 | 0.60 | regulation of biological quality
GO:0051173 | 0.60 | positive regulation of nitrogen compound metabolic process
GO:0031325 | 0.60 | positive regulation of cellular metabolic process
GO:0050793 | 0.58 | regulation of developmental process
GO:0031328 | 0.58 | positive regulation of cellular biosynthetic process
GO:0010468 | 0.58 | regulation of gene expression
GO:2000026 | 0.57 | regulation of multicellular organismal development
GO:0050896 | 0.57 | response to stimulus
GO:0048513 | 0.57 | animal organ development
GO:0019219 | 0.57 | regulation of nucleobase-containing compound metabolic process
GO:0006807 | 0.57 | nitrogen compound metabolic process
GO:0051716 | 0.56 | cellular response to stimulus
GO:0051130 | 0.56 | positive regulation of cellular component organization
GO:0051098 | 0.56 | regulation of binding
GO:0051052 | 0.56 | regulation of DNA metabolic process
GO:0048869 | 0.56 | cellular developmental process
GO:0045944 | 0.56 | positive regulation of transcription from RNA polymerase II promoter
GO:0044093 | 0.56 | positive regulation of molecular function
GO:0010817 | 0.56 | regulation of hormone levels
GO:1905269 | 0.55 | positive regulation of chromatin organization
GO:1903706 | 0.55 | regulation of hemopoiesis
GO:0051240 | 0.55 | positive regulation of multicellular organismal process
GO:0051094 | 0.55 | positive regulation of developmental process
GO:0048523 | 0.55 | negative regulation of cellular process
GO:0048468 | 0.55 | cell development
GO:0045597 | 0.55 | positive regulation of cell differentiation
GO:0044707 | 0.55 | single-multicellular organism process
GO:0032350 | 0.55 | regulation of hormone metabolic process
GO:0010629 | 0.55 | negative regulation of gene expression
GO:0009966 | 0.55 | regulation of signal transduction
GO:1903827 | 0.54 | regulation of cellular protein localization
GO:1902166 | 0.54 | negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator
GO:0071480 | 0.54 | cellular response to gamma radiation
GO:0055001 | 0.54 | muscle cell development
GO:0051091 | 0.54 | positive regulation of sequence-specific DNA binding transcription factor activity
GO:0043518 | 0.54 | negative regulation of DNA damage response, signal transduction by p53 class mediator
GO:0043433 | 0.54 | negative regulation of sequence-specific DNA binding transcription factor activity
GO:0034644 | 0.54 | cellular response to UV
GO:0033184 | 0.54 | positive regulation of histone ubiquitination
GO:0033169 | 0.54 | histone H3-K9 demethylation
GO:0032091 | 0.54 | negative regulation of protein binding
GO:0010569 | 0.54 | regulation of double-strand break repair via homologous recombination
GO:0009790 | 0.54 | embryo development
GO:0000122 | 0.54 | negative regulation of transcription from RNA polymerase II promoter
GO:2000648 | 0.53 | positive regulation of stem cell proliferation
GO:2000179 | 0.53 | positive regulation of neural precursor cell proliferation
GO:1901564 | 0.53 | organonitrogen compound metabolic process
GO:0051573 | 0.53 | negative regulation of histone H3-K9 methylation
GO:0051572 | 0.53 | negative regulation of histone H3-K4 methylation
GO:0046886 | 0.53 | positive regulation of hormone biosynthetic process
GO:0045654 | 0.53 | positive regulation of megakaryocyte differentiation
GO:0045648 | 0.53 | positive regulation of erythrocyte differentiation
GO:0043392 | 0.53 | negative regulation of DNA binding
GO:0030851 | 0.53 | granulocyte differentiation
GO:0021983 | 0.53 | pituitary gland development
GO:0016575 | 0.53 | histone deacetylation
GO:0010725 | 0.53 | regulation of primitive erythrocyte differentiation
GO:0007596 | 0.53 | blood coagulation
GO:0001701 | 0.53 | in utero embryonic development
GO:0034641 | 0.50 | cellular nitrogen compound metabolic process

Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Cellular Component (CC)

GO term | CscoreGO | Name
GO:0044464 | 0.98 | cell part
GO:0044424 | 0.96 | intracellular part
GO:0043231 | 0.66 | intracellular membrane-bounded organelle
GO:0044444 | 0.56 | cytoplasmic part
GO:0044446 | 0.52 | intracellular organelle part
GO:0005737 | 0.51 | cytoplasm

Download full result of the above consensus prediction.

| Click the graph to show a high resolution version.
(a) | CscoreGO is the confidence score of predicted GO terms. CscoreGO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.
(b) | The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by CscoreGO:
[0.4,0.5) | [0.5,0.6) | [0.6,0.7) | [0.7,0.8) | [0.8,0.9) | [0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

| Top 5 enzyme homologs in PDB
Click to view | Rank | CscoreEC | PDB Hit | TM-score | RMSDa | IDENa | Cov. | EC Number | Predicted Active Site Residues
--- | --- | --- | --- | --- | --- | --- | --- | --- | ---
| 1 | 0.060 | 2iveA | 0.699 | 2.59 | 0.218 | 0.793 | 1.3.3.4 | NA
| 2 | 0.060 | 1b37B | 0.796 | 1.98 | 0.298 | 0.856 | 1.5.3.15 1.5.3.14 | NA
| 3 | 0.060 | 1o5wC | 0.760 | 2.35 | 0.281 | 0.835 | 1.4.3.4 | 21
| 4 | 0.060 | 1oj9A | 0.759 | 2.31 | 0.304 | 0.835 | 1.4.3.4 | NA
| 5 | 0.060 | 2iw5A | 0.843 | 2.40 | 0.322 | 0.909 | 1.-.-.- | NA
| Click on the radio buttons to visualize predicted active site residues.
(a) | CscoreEC is the confidence score for the Enzyme Commission (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.

Predicted Ligand Binding Sites

| Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
| 1 | 0.76 | 2v1dA | 0.844 | 2.37 | 0.322 | 0.909 | 1.15 | FAD | complex1.pdb.gz | 20,22,23,24,44,45,46,47,52,53,66,67,68,69,70,126,128,167,168,169,206,210,211,245,246,254,255,256,259
| Click on the radio buttons to visualize predicted binding site and residues.
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c) | TM-score is a measure of global structural similarity between query and template protein.
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align.
(e) | IDENa is the percentage sequence identity in the structurally aligned region.
(f) | 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.

#### [Click result.zip to download all results on this page]

References:
1. | Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.