D-I-TASSER Q5UAW9-D1

D-I-TASSER results for Q5UAW9-D1

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

Input Sequence in FASTA format

>Q5UAW9 (335 residues)
MQPSPPPTELVPSERAVVLLSCALSALGSGLLVATHALWPDLRSRARRLLLFLSLADLLS
AASYFYGVLQNFAGPSWDCVLQGALSTFANTSSFFWTVAIALYLYLSIVRAARGPRTDRL
LWAFHVVSWGVPLVITVAAVALKKIGYDASDVSVGWCWIDLEAKDHVLWMLLTGKLWEML
AYVLLPLLYLLVRKHINRAHTALSEYRPILSQEHRLLRHSSMADKKLVLIPLIFIGLRVW
STVRFVLTLCGSPAVQTPVLVVLHGIGNTFQGGANCIMFVLCTRAVRTRLFSLCCCCCSS
QPPTKSPAGTPKAPAPSKPGESQESQGTPGELPST

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MQPSPPPTELVPSERAVVLLSCALSALGSGLLVATHALWPDLRSRARRLLLFLSLADLLSAASYFYGVLQNFAGPSWDCVLQGALSTFANTSSFFWTVAIALYLYLSIVRAARGPRTDRLLWAFHVVSWGVPLVITVAAVALKKIGYDASDVSVGWCWIDLEAKDHVLWMLLTGKLWEMLAYVLLPLLYLLVRKHINRAHTALSEYRPILSQEHRLLRHSSMADKKLVLIPLIFIGLRVWSTVRFVLTLCGSPAVQTPVLVVLHGIGNTFQGGANCIMFVLCTRAVRTRLFSLCCCCCSSQPPTKSPAGTPKAPAPSKPGESQESQGTPGELPST
Prediction	CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHSSSSSCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCSSSCCCCCCCSSSSSSHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	99999976788999999999999999999999999999844157504889999999999999999987651479963127899999999999999999999999950235515775303566678888657999999999861136788888765267127999718986238899999999999999999999999998887630653221267889999999999999999999999999999999836874058999999999999778999898753599999999999875448998888889999988998887778888898888999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MQPSPPPTELVPSERAVVLLSCALSALGSGLLVATHALWPDLRSRARRLLLFLSLADLLSAASYFYGVLQNFAGPSWDCVLQGALSTFANTSSFFWTVAIALYLYLSIVRAARGPRTDRLLWAFHVVSWGVPLVITVAAVALKKIGYDASDVSVGWCWIDLEAKDHVLWMLLTGKLWEMLAYVLLPLLYLLVRKHINRAHTALSEYRPILSQEHRLLRHSSMADKKLVLIPLIFIGLRVWSTVRFVLTLCGSPAVQTPVLVVLHGIGNTFQGGANCIMFVLCTRAVRTRLFSLCCCCCSSQPPTKSPAGTPKAPAPSKPGESQESQGTPGELPST
Prediction	77554446412200100001001001310220120001023023320100000000102321010010022245430001000331010230012001000100020202213454122100000000022111000000002121432442210000012433210000111332222223333121222011102212332443444344444233311303320101133223113323331000001363121000000000000313344132110225400510241023124544446345445444444445546545444554458
	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

Download
alignment

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHSSSSSCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCSSSCCCCCCCSSSSSSHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MQPSPPPTELVPSERAVVLLSCALSALGSGLLVATHALWPDLRSRARRLLLFLSLADLLSAASYFYGVLQNFAGPSWDCVLQGALSTFANTSSFFWTVAIALYLYLSIVRAARGPRTDRLLWAFHVVSWGVPLVITVAAVALKKIGYDASDVSVGWCWIDLEAKDHVLWMLLTGKLWEMLAYVLLPLLYLLVRKHINRAHTALSEYRPILSQEHRLLRHSSMADKKLVLIPLIFIGLRVWSTVRFVLTLCGSPAVQTPVLVVLHGIGNTFQGGANCIMFVLCTRAVRTRLFSLCCCCCSSQPPTKSPAGTPKAPAPSKPGESQESQGTPGELPST

2ks9A

0.12

0.11

3.87

1.33

DEthreader

VLPDFVQPWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAANTVVNFTYEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYS-TTE-T-MPSRVVCMIEPEPNYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIDSSDRY-----H-EQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYNPDLYKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRC---CPFISAGDYEGE------------------------

4n6hA2

0.12

0.10

3.60

1.85

SPARKS-K

GARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTFQSAKYLMWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPALDFRTPAKAKLINICIWVLASGVGVPIMVMA---VTRPRDGAVVCMLQFPPSWYWDTVTKICVFLFVVPILIITVCYGLMLLRLRSV--------RLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCG------------------------------------

3dqbA

0.12

0.10

3.67

0.63

MapAlign

--YYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGFTTTLYTSLHGYFVFCNLEGFFATLGGEIALWSLVVLAIERYVVVCPMSNFRFGENHAIMGVAFTWVMALACAAPPLWSRYIPE----GMQCSCGIDYHEETNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQES-------ATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN------------------------------------

3dqbA

0.12

0.10

3.69

0.36

CEthreader

PQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIP--EGMQCSCGIDYYTPHNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQ-------ESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN------------------------------------

4l6rA2

0.15

0.13

4.23

1.45

MUSTER

-EVQKEVAKMYSSFQVMYTVGYSLSLGALLLALAILGGLSKLHCTRNAIHANLFASFVLKASSVLVIDGLLRTGAVAGCRVAAVFMQYGIVANYCWLLVEGLYLHNLLGLATLPE--RSFFSLYLGIGWGAPMLFVVPWAVVKCLFENVQ------CWTSNDNMG----FWWILRFPVFLAILINFFIFVRIVQLLVAKLRAR--------QMHHTDYKFRLAKSTLTLIPLLGVHEVVFA----FVTDEHAQGTLRSAKLFFDLFLSSFQGLLVAVLYCFLNKEVQSELRRRWHRWRLGKVLWEERN---------------------------

5zbhA

0.13

0.11

3.95

1.27

HHsearch

-DDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTVFGEAMCKLNPFVQCVSITVSIWSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFYKDKYVCFDQFPSDHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNIFEMLRIDGAYDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIINHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCD-------------------------------------

2ks9A

0.12

4.20

3.07

FFAS-3D

------PAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAANFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMI---EWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTV

2ziyA

0.10

3.73

0.93

EigenThreader

REFDQVPDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGISCFLKWIFGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMRRAFIMIIFVWLWSVLWAIGPIFG---WGAYGVLCNCSFDYISRDSTTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNEKEMAAMAKRLNAKAQAGANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPLEWVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFLTCCQFDDKETEDDKDAETEIPAGESSDAAPSADAAQMKE-

4ww3A

0.12

0.11

3.93

1.60

CNFpred

REFDQVPDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNLMTISCFL-FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMSKKMSHRRAFIMIIFVWLWSVLWAIGPIF--GWGAYTLEGVLCNCSFDYRDSTTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKE-GANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPLEWVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAGE-------------

5uenA

0.16

0.14

4.58

1.33

DEthreader

------ISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGAVIPLAILINIGPTYHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRMVVTPRRAAVAIAGCWILSFVVGLTPMFGNNLVEPVIK---CEFEKVI----SMEYMVYNFFVWVLPPLLLMVLIYLEVFYLIRKQLADLEDNWIQKERARSTLQKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRC-------------------QP-EV-----------

(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	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.8161

(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)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	2ks9A	0.85	3.11	0.117	0.952	model1_2ks9A.pdb.gz
2	2ziyA	0.84	2.46	0.111	0.925	model1_2ziyA.pdb.gz
3	2hpyA	0.83	2.91	0.112	0.925	model1_2hpyA.pdb.gz
4	4zwjA	0.81	3.02	0.120	0.913	model1_4zwjA.pdb.gz
5	6i9kA	0.78	2.05	0.164	0.839	model1_6i9kA.pdb.gz
6	6me6A	0.78	2.76	0.140	0.875	model1_6me6A.pdb.gz
7	5ztyA	0.77	2.72	0.118	0.860	model1_5ztyA.pdb.gz
8	5uenA	0.77	2.47	0.154	0.845	model1_5uenA.pdb.gz
9	5wb1A	0.76	3.42	0.136	0.892	model1_5wb1A.pdb.gz
10	6li0A	0.76	3.40	0.153	0.878	model1_6li0A.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)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a 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	Cscore^GO	Name
GO:0004888	0.99	transmembrane signaling receptor activity
GO:0004930	0.76	G-protein coupled receptor activity
GO:0097159	0.61	organic cyclic compound binding
GO:1901363	0.59	heterocyclic compound binding
GO:0000166	0.56	nucleotide binding
GO:0046872	0.55	metal ion binding
GO:0032559	0.55	adenyl ribonucleotide binding
GO:0035639	0.53	purine ribonucleoside triphosphate binding
GO:0032550	0.53	purine ribonucleoside binding
GO:0046914	0.51	transition metal ion binding
GO:0005102	0.51	receptor binding
GO:0003824	0.51	catalytic activity
GO:0001614	0.50	purinergic nucleotide receptor activity

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO 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 Cscore^GO:

[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	Cscore^GO	Name
GO:0050794	0.97	regulation of cellular process
GO:0007165	0.93	signal transduction
GO:0007186	0.86	G-protein coupled receptor signaling pathway
GO:0044699	0.73	single-organism process
GO:0009987	0.73	cellular process
GO:0044763	0.68	single-organism cellular process
GO:0050896	0.63	response to stimulus
GO:0032501	0.61	multicellular organismal process
GO:0048519	0.59	negative regulation of biological process
GO:0048518	0.59	positive regulation of biological process
GO:0048523	0.58	negative regulation of cellular process
GO:0019222	0.58	regulation of metabolic process
GO:0003008	0.58	system process
GO:0048522	0.57	positive regulation of cellular process
GO:0031323	0.57	regulation of cellular metabolic process
GO:0008152	0.57	metabolic process
GO:0080090	0.56	regulation of primary metabolic process
GO:0019220	0.56	regulation of phosphate metabolic process
GO:0010646	0.56	regulation of cell communication
GO:0051239	0.55	regulation of multicellular organismal process
GO:0023051	0.55	regulation of signaling
GO:0007187	0.55	G-protein coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0044710	0.54	single-organism metabolic process
GO:0009893	0.54	positive regulation of metabolic process
GO:0007166	0.54	cell surface receptor signaling pathway
GO:0065009	0.53	regulation of molecular function
GO:0065008	0.53	regulation of biological quality
GO:0051179	0.53	localization
GO:0048583	0.53	regulation of response to stimulus
GO:0045937	0.53	positive regulation of phosphate metabolic process
GO:0019219	0.53	regulation of nucleobase-containing compound metabolic process
GO:0007188	0.53	adenylate cyclase-modulating G-protein coupled receptor signaling pathway
GO:0051049	0.52	regulation of transport
GO:0045935	0.52	positive regulation of nucleobase-containing compound metabolic process
GO:0031326	0.52	regulation of cellular biosynthetic process
GO:0009966	0.52	regulation of signal transduction
GO:0051240	0.51	positive regulation of multicellular organismal process
GO:0044707	0.51	single-multicellular organism process
GO:0032502	0.51	developmental process
GO:0031328	0.51	positive regulation of cellular biosynthetic process
GO:0016043	0.51	cellular component organization
GO:1903530	0.50	regulation of secretion by cell
GO:1902578	0.50	single-organism localization
GO:0060255	0.50	regulation of macromolecule metabolic process
GO:0051716	0.50	cellular response to stimulus
GO:0048584	0.50	positive regulation of response to stimulus
GO:0023056	0.50	positive regulation of signaling
GO:0010647	0.50	positive regulation of cell communication
GO:0010033	0.50	response to organic substance

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO 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 Cscore^GO:

[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	Cscore^GO	Name
GO:0016021	1.00	integral component of membrane
GO:0016020	1.00	membrane
GO:0044464	0.99	cell part
GO:0005886	0.94	plasma membrane
GO:0044459	0.90	plasma membrane part
GO:0031226	0.89	intrinsic component of plasma membrane
GO:0005887	0.88	integral component of plasma membrane
GO:0044424	0.80	intracellular part
GO:0044444	0.60	cytoplasmic part
GO:0043226	0.59	organelle
GO:0043227	0.55	membrane-bounded organelle
GO:0043229	0.53	intracellular organelle
GO:0042995	0.51	cell projection
GO:0097458	0.50	neuron part
GO:0043231	0.50	intracellular membrane-bounded organelle

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO 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 Cscore^GO:

[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

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.060	1tj7A	0.417	6.07	0.034	0.657	4.3.2.1	NA
2	0.060	1yqwR	0.441	6.07	0.050	0.681	1.12.2.1	NA
3	0.060	3e04D	0.418	6.20	0.047	0.672	4.2.1.2	NA
4	0.060	3d4sA	0.737	3.12	0.142	0.830	3.2.1.17	65
5	0.060	3no9A	0.419	6.26	0.040	0.678	4.2.1.2	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (EC) number prediction. Cscore^EC 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)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a 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:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.08	1gzmA	0.794	2.45	0.116	0.872	0.61	UUU	complex1.pdb.gz	22,26,30,60
2	0.03	2i37A	0.777	2.07	0.128	0.839	0.62	UUU	complex2.pdb.gz	265,266,267,271,272
3	0.03	3pdsA	0.744	2.94	0.134	0.833	0.53	CLR	complex3.pdb.gz	48,51,55,121,124,125,129
4	0.01	1c61A	0.220	5.42	0.040	0.325	0.41	KR	complex4.pdb.gz	26,27,30

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB 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)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a 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.