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# D-I-TASSER results for Q2WGJ6-D2

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

Input Sequence in FASTA format

>Q2WGJ6 (302 residues) NSYQDFLILLGGRKDSQQTTRDVLLYSKQTGQWQSLAKLPTRLYKASAITLHRSIYVLGG MAVSSGRSLVSHNVYIFSLKLNQWRLGEPMLVARYSHRSTAHKNFIFSIGGIGEGQELMG SMERYDSICNVWESMASMPVGVLHPAVAVKDQRLYLFGGEDIMQNPVRLIQVYHISRNSW FKMETRMIKNVCAPAVVLGERIVIVGGYTRRILAYDPQSNKFVKCADMKDRRMHHGATVM GNKLYVTGGRRLTTDCNIEDSASFDCYDPETDTWTSQGQLPHKLFDHACLTLQCIPRTSG LP

Predicted Secondary Structure

Sequence

20 40 60 80 100 120 140 160 180 200 220 240 260 280 300
| | | | | | | | | | | | | | |
NSYQDFLILLGGRKDSQQTTRDVLLYSKQTGQWQSLAKLPTRLYKASAITLHRSIYVLGGMAVSSGRSLVSHNVYIFSLKLNQWRLGEPMLVARYSHRSTAHKNFIFSIGGIGEGQELMGSMERYDSICNVWESMASMPVGVLHPAVAVKDQRLYLFGGEDIMQNPVRLIQVYHISRNSWFKMETRMIKNVCAPAVVLGERIVIVGGYTRRILAYDPQSNKFVKCADMKDRRMHHGATVMGNKLYVTGGRRLTTDCNIEDSASFDCYDPETDTWTSQGQLPHKLFDHACLTLQCIPRTSGLP
Prediction
CCSCCSSSSSSCSCCCCCSSSSSSSSSCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSSCCCCCCCCCSSCCSSSSSCCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSCCSCCCCCSSSSSSSSSCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSSCSCCCCCSCCSSSSSSCCCCSSSSCCCCCCCCCCCSSSSSCCSSSSSSCCCCSSSSSSCCCCSSSSCCCCCCCCSCSSSSSSCCSSSSSCCSCCCCCCCCCSCCSSSSSSCCCCSSSSCCCCCCCCSCSSSSSSCCSSSSSSCC
Confidence 96499999993626999742179999699997998689996510159999999999992867899983672679999299995997699874212538999999999990646998552269999699997998689993002318999999999994218999734549999499996997489998764408999999999992889929999789898999089999850618999999999993606888887544547999969999799817999876243899998978978279
H:Helix; S:Strand; C:Coil
Predicted Solvent Accessibility

Sequence | 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 | | | | | | | | | | | | | | | NSYQDFLILLGGRKDSQQTTRDVLLYSKQTGQWQSLAKLPTRLYKASAITLHRSIYVLGGMAVSSGRSLVSHNVYIFSLKLNQWRLGEPMLVARYSHRSTAHKNFIFSIGGIGEGQELMGSMERYDSICNVWESMASMPVGVLHPAVAVKDQRLYLFGGEDIMQNPVRLIQVYHISRNSWFKMETRMIKNVCAPAVVLGERIVIVGGYTRRILAYDPQSNKFVKCADMKDRRMHHGATVMGNKLYVTGGRRLTTDCNIEDSASFDCYDPETDTWTSQGQLPHKLFDHACLTLQCIPRTSGLP
Prediction | 72266232111033464310110111105554445215033302300000045331100011254443211210110106344346234042213200300033334120111443310314114407444344234034121000000044200000010244320210100106544245245034220000000125300000022430101207553445145042202000100044321000011234434342111010000745575523403300010020234000000027
| 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 80 100 120 140 160 180 200 220 240 260 280 300 | | | | | | | | | | | | | | |
| SS Seq | CCSCCSSSSSSCSCCCCCSSSSSSSSSCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSSCCCCCCCCCSSCCSSSSSCCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSCCSCCCCCSSSSSSSSSCCCCSSSSCCCCCCCCCCSSSSSSCCSSSSSSCSCCCCCSCCSSSSSSCCCCSSSSCCCCCCCCCCCSSSSSCCSSSSSSCCCCSSSSSSCCCCSSSSCCCCCCCCSCSSSSSSCCSSSSSCCSCCCCCCCCCSCCSSSSSSCCCCSSSSCCCCCCCCSCSSSSSSCCSSSSSSCC NSYQDFLILLGGRKDSQQTTRDVLLYSKQTGQWQSLAKLPTRLYKASAITLHRSIYVLGGMAVSSGRSLVSHNVYIFSLKLNQWRLGEPMLVARYSHRSTAHKNFIFSIGGIGEGQELMGSMERYDSICNVWESMASMPVGVLHPAVAVKDQRLYLFGGEDIMQNPVRLIQVYHISRNSWFKMETRMIKNVCAPAVVLGERIVIVGGYTRRILAYDPQSNKFVKCADMKDRRMHHGATVMGNKLYVTGGRRLTTDCNIEDSASFDCYDPETDTWTSQGQLPHKLFDHACLTLQCIPRTSGLP
1 | 2dyhA | 0.24 | 0.23 | 7.21 | 1.50 | DEthreader |  | --VGRLIYTAG GYFR--QSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHG-CIHHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFDGT-NRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG GQLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDG----H-TFLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVT-M--E-PCRK
2 | 2dyhA | 0.24 | 0.24 | 7.31 | 2.62 | SPARKS-K |  | --VGRLIYTAG GYF--RQSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHG-CIHHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFD-GTNRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG GQLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GY-----DGHTFLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTMEPCRKQIDQ
3 | 2dyhA | 0.25 | 0.24 | 7.28 | 0.87 | MapAlign |  | --VGRLIYTAG GY--FRQSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHG-CIHHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFDG-TNRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG G YLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDG-----HTFLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTME--------
4 | 2dyhA | 0.25 | 0.24 | 7.40 | 0.70 | CEthreader |  | --VGRLIYTAG GYF--RQSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHGCI-HHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFDG-TNRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG G YLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDGH-----TFLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTMEPCRKQIDQ
5 | 2dyhA | 0.25 | 0.25 | 7.58 | 1.99 | MUSTER |  | --VGRLIYTAG GYF--RQSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GS-HGCIHHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFDG-TNRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG G YDNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDGHT-----FLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTMEPCRKQIDQ
6 | 4yy8A | 0.19 | 0.17 | 5.58 | 1.74 | HHsearch |  | FLPFPLVFCIG GFDGV-EYLNSMELLDISQQCWRMCTPMSTKKAYFGSAVLNNFLY VFG GNNYD---YKALFETEVYDRLRDVWYVSSNLNIPRRNNCGVTSNGRIYCI G GYDGS-SIIPNVEAY DHRMKAWVEVAPLNTPRSSAMCVAFDNKIYVIG GTNG--ERLNSIEV YEEKMNKWEQFPALLEARSSGAAFNYLNQIYVV G GILDSVEQYQPFNKRWQFLNGVPEKKMNFG AATLS-SYIIT G GENG------EVLNSCHFFSPDTNEWQLGPSLLVPRFGHSVLIANI--------
7 | 2dyhA | 0.25 | 0.24 | 7.30 | 2.46 | FFAS-3D |  | --VGRLIYTAG GYF--RQSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHGCI-HHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GF-DGTNRLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG G YLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDGHT-----FLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTEPCRKQID--
8 | 4yy8A2 | 0.19 | 0.17 | 5.57 | 0.83 | EigenThreader |  | -LPFPLVFCIG GFDG-VEYLNSMELLDISQQCWRMCTPMSTKKAYFGSAVLNNFLY VFG GNN---YDYKALFETEVYDRLRDVWYVSSNLNIPRRNNCGVTSNGRIYCI G GYDGS-SIIPNVEAY DHRMKAWVEVAPLNTPRSSAMCVAFDNKIYVIG GTNG--ERLNSIEV YEEKMNKWEQFYALLEARSSGAAFNYLNQIYVV G GILDSVEQYQPFNKRWQFLNGVPEKKMNFG AATL-SSYIIT G GENG------EVLNSCHFFSPDTNEWQLGPSLLVPRFGHSVLIANI--------
9 | 5cgjA | 0.25 | 0.23 | 7.20 | 4.41 | CNFpred |  | --VGRLIYTAG GYFR--QSLSYLEAYNPSNGSWLRL ADLQVPRSGLAGCVVGGLLYAVG GRNNSPDGNTDSSALDCYNPMTN Q WSPCASMSVPRNRIGVGVIDGHIYAVG GSHGC-IHHSSVE R YEPERDEWHLVAPMLTRRIGVGV A VLNRLL YAVG GFDGTN-RLNSAECYYPER NEWRMITPMNTIRSGAGVCV LHNCIYAAG G YLNSVERY DVETETWTFVAPMRHHRSALGIT VHQGKIY VLG GYDG-----HTFLDSVEC Y D PDSD T WSEVTRMTSGRSGVGVAVTME--------
10 | 6hrlA | 0.23 | 0.22 | 6.75 | 1.50 | DEthreader |  | GA-GPVLFAVG GGSLF-AIHGDCEAYDTRTDRWHVVASMST RRARVGVAAVGNRLYAVG GYDG----TSDLATVESYDPVTNTWQPEVSMGTRRSCLGVAALHGLLYSAG GYDG-ASCLNSAE R Y DPLTGTWTSVAAMSTRRRYVRV ATLDGNL YAVG GYDS-SSHLATVEKYEPQVNVWSPVASMLSRRSSAGVAV LEGALYVAG GCLNSVERYSPKAGAWESVAPMNIR RSTHDLVAMDGWL YAVG GNDG-----SSSLNSIEKYNPRTNKWVAASCMFTRRSSVGVAVLEL--L-----
(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 | 0.9034
(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 | 2dyhA | 0.95 | 0.64 | 0.247 | 0.964 | model1_2dyhA.pdb.gz
| 2 | 6hrlA | 0.92 | 1.01 | 0.230 | 0.934 | model1_6hrlA.pdb.gz
| 3 | 2vpjA | 0.91 | 0.94 | 0.246 | 0.930 | model1_2vpjA.pdb.gz
| 4 | 2xn4A | 0.91 | 0.87 | 0.240 | 0.924 | model1_2xn4A.pdb.gz
| 5 | 4yy8A2 | 0.89 | 1.44 | 0.186 | 0.924 | model1_4yy8A2.pdb.gz
| 6 | 2wozA | 0.85 | 2.43 | 0.160 | 0.947 | model1_2wozA.pdb.gz
| 7 | 5a10A | 0.81 | 2.57 | 0.168 | 0.891 | model1_5a10A.pdb.gz
| 8 | 2uvkB | 0.80 | 2.11 | 0.167 | 0.868 | model1_2uvkB.pdb.gz
| 9 | 2zwaB2 | 0.75 | 2.78 | 0.147 | 0.848 | model1_2zwaB2.pdb.gz
| 10 | 2eidA | 0.68 | 4.09 | 0.113 | 0.871 | model1_2eidA.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 | 0.99 | catalytic activity
GO:0004842 | 0.98 | ubiquitin-protein transferase activity
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:0009987 | 0.99 | cellular process
GO:0008152 | 0.89 | metabolic process
GO:0044238 | 0.88 | primary metabolic process
GO:0044237 | 0.88 | cellular metabolic process
GO:0043170 | 0.88 | macromolecule metabolic process
GO:0044260 | 0.87 | cellular macromolecule metabolic process
GO:0019538 | 0.85 | protein metabolic process
GO:0006464 | 0.84 | cellular protein modification process
GO:0016567 | 0.83 | protein ubiquitination
GO:0044699 | 0.76 | single-organism process
GO:0065007 | 0.74 | biological regulation
GO:0050794 | 0.72 | regulation of cellular process
GO:0044763 | 0.71 | single-organism cellular process
GO:0042787 | 0.70 | protein ubiquitination involved in ubiquitin-dependent protein catabolic process
GO:0032502 | 0.64 | developmental process
GO:0044767 | 0.63 | single-organism developmental process
GO:0051179 | 0.62 | localization
GO:0048856 | 0.60 | anatomical structure development
GO:0050896 | 0.59 | response to stimulus
GO:1901575 | 0.57 | organic substance catabolic process
GO:0051603 | 0.57 | proteolysis involved in cellular protein catabolic process
GO:0048519 | 0.57 | negative regulation of biological process
GO:0006810 | 0.57 | transport
GO:0009057 | 0.56 | macromolecule catabolic process
GO:0000209 | 0.56 | protein polyubiquitination
GO:0080090 | 0.55 | regulation of primary metabolic process
GO:0065008 | 0.55 | regulation of biological quality
GO:0060255 | 0.55 | regulation of macromolecule metabolic process
GO:0048869 | 0.55 | cellular developmental process
GO:0031323 | 0.55 | regulation of cellular metabolic process
GO:0044710 | 0.54 | single-organism metabolic process
GO:0010498 | 0.54 | proteasomal protein catabolic process
GO:2000112 | 0.53 | regulation of cellular macromolecule biosynthetic process
GO:0051171 | 0.53 | regulation of nitrogen compound metabolic process
GO:0032501 | 0.53 | multicellular organismal process
GO:0010468 | 0.53 | regulation of gene expression
GO:0010033 | 0.53 | response to organic substance
GO:0006950 | 0.53 | response to stress
GO:0065009 | 0.52 | regulation of molecular function
GO:0044281 | 0.52 | small molecule metabolic process
GO:0032879 | 0.52 | regulation of localization
GO:0030001 | 0.52 | metal ion transport
GO:0009653 | 0.52 | anatomical structure morphogenesis
GO:0006355 | 0.52 | regulation of transcription, DNA-templated
GO:0003008 | 0.52 | system process
GO:0070293 | 0.51 | renal absorption
GO:0060562 | 0.51 | epithelial tube morphogenesis
GO:0051049 | 0.51 | regulation of transport
GO:0050793 | 0.51 | regulation of developmental process
GO:0048878 | 0.51 | chemical homeostasis
GO:0044092 | 0.51 | negative regulation of molecular function
GO:0034097 | 0.51 | response to cytokine
GO:0010605 | 0.51 | negative regulation of macromolecule metabolic process
GO:0003096 | 0.51 | renal sodium ion transport
GO:2000026 | 0.50 | regulation of multicellular organismal development
GO:0072078 | 0.50 | nephron tubule morphogenesis
GO:0051716 | 0.50 | cellular response to stimulus
GO:0051220 | 0.50 | cytoplasmic sequestering of protein
GO:0051090 | 0.50 | regulation of sequence-specific DNA binding transcription factor activity
GO:0045595 | 0.50 | regulation of cell differentiation
GO:0042992 | 0.50 | negative regulation of transcription factor import into nucleus
GO:0019752 | 0.50 | carboxylic acid metabolic process
GO:0016043 | 0.50 | cellular component organization
GO:0009888 | 0.50 | tissue development
GO:0009725 | 0.50 | response to hormone

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:0044424 | 1.00 | intracellular part
GO:0031463 | 0.97 | Cul3-RING ubiquitin ligase complex

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 | 0.240 | 2uvkB | 0.803 | 2.11 | 0.167 | 0.868 | 5.1.3.- | 48,56,59,97,147
| 2 | 0.237 | 1v04A | 0.691 | 3.64 | 0.068 | 0.854 | 3.1.1.2 3.1.8.1 | 144
| 3 | 0.109 | 1rwlA | 0.655 | 2.55 | 0.083 | 0.745 | 2.7.11.1 | NA
| 4 | 0.103 | 3dr2A | 0.666 | 3.43 | 0.059 | 0.795 | 3.1.1.17 | NA
| 5 | 0.098 | 3fw0A | 0.700 | 3.61 | 0.075 | 0.848 | 4.3.2.5 | 160,206,233
| 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 | 0.03 | 3gvkA | 0.725 | 3.83 | 0.077 | 0.901 | 0.47 | UUU | complex1.pdb.gz | 94,111,113,114,118,144
| 2 | 0.03 | 1npe0 | 0.728 | 2.44 | 0.108 | 0.821 | 0.90 | III | complex2.pdb.gz | 12,38,41,43,60,98,145,159,191,193,232,249,281,282,285,287
| 3 | 0.03 | 2f10A | 0.725 | 3.29 | 0.064 | 0.861 | 0.47 | BCZ | complex3.pdb.gz | 44,60,62,96,159,191,192
| 4 | 0.02 | 3gvlA | 0.732 | 3.59 | 0.050 | 0.897 | 0.56 | SLB | complex4.pdb.gz | 107,109,144,158
| 5 | 0.02 | 3gvjA | 0.732 | 3.59 | 0.050 | 0.897 | 0.40 | UUU | complex5.pdb.gz | 47,49,56,57,58,59
| 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.