D-I-TASSER Q96AM1-D1

D-I-TASSER results for Q96AM1-D1

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

Input Sequence in FASTA format

>Q96AM1 (343 residues)
MAGNCSWEAHPGNRNKMCPGLSEAPELYSRGFLTIEQIAMLPPPAVMNYIFLLLCLCGLV
GNGLVLWFFGFSIKRNPFSIYFLHLASADVGYLFSKAVFSILNTGGFLGTFADYIRSVCR
VLGLCMFLTGVSLLPAVSAERCASVIFPAWYWRRRPKRLSAVVCALLWVLSLLVTCLHNY
FCVFLGRGAPGAACRHMDIFLGILLFLLCCPLMVLPCLALILHVECRARRRQRSAKLNHV
ILAMVSVFLVSSIYLGIDWFLFWVFQIPAPFPEYVTDLCICINSSAKPIVYFLAGRDKSQ
RLWEPLRVVFQRALRDGAELGEAGGSTPNTVTMEMQCPPGNAS

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAGNCSWEAHPGNRNKMCPGLSEAPELYSRGFLTIEQIAMLPPPAVMNYIFLLLCLCGLVGNGLVLWFFGFSIKRNPFSIYFLHLASADVGYLFSKAVFSILNTGGFLGTFADYIRSVCRVLGLCMFLTGVSLLPAVSAERCASVIFPAWYWRRRPKRLSAVVCALLWVLSLLVTCLHNYFCVFLGRGAPGAACRHMDIFLGILLFLLCCPLMVLPCLALILHVECRARRRQRSAKLNHVILAMVSVFLVSSIYLGIDWFLFWVFQIPAPFPEYVTDLCICINSSAKPIVYFLAGRDKSQRLWEPLRVVFQRALRDGAELGEAGGSTPNTVTMEMQCPPGNAS
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHSSSSSCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHSSCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	9999988889999888899998887667899887011133216799999999999998999999999987435787357899999999999999989999999977999647799999999999999999999999999999999988875247871367889999999999999999987135425999612356899999999999999999999999999998316888775136643221111238766899999999998611568999999999998776577655047778899999999999985358887788887778887545678988899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAGNCSWEAHPGNRNKMCPGLSEAPELYSRGFLTIEQIAMLPPPAVMNYIFLLLCLCGLVGNGLVLWFFGFSIKRNPFSIYFLHLASADVGYLFSKAVFSILNTGGFLGTFADYIRSVCRVLGLCMFLTGVSLLPAVSAERCASVIFPAWYWRRRPKRLSAVVCALLWVLSLLVTCLHNYFCVFLGRGAPGAACRHMDIFLGILLFLLCCPLMVLPCLALILHVECRARRRQRSAKLNHVILAMVSVFLVSSIYLGIDWFLFWVFQIPAPFPEYVTDLCICINSSAKPIVYFLAGRDKSQRLWEPLRVVFQRALRDGAELGEAGGSTPNTVTMEMQCPPGNAS
Prediction	8654432423342424323434333232343211343043212311112212200231332201000000123411000000000010000001001010000024320100000011012213301210010000001000000000020242133210000000001000000000000000124543210011011222332323332232011000000010344635443000000000010010013331100001001303130011001010000102732220100440152015002200430055445466555444445444455466668
	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                 340

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHSSSSSCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHSSCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MAGNCSWEAHPGNRNKMCPGLSEAPELYSRGFLTIEQIAMLPPPAVMNYIFLLLCLCGLVGNGLVLWFFGFSIKRNPFSIYFLHLASADVGYLFSKAVFSILNTGGFLGTFADYIRSVCRVLGLCMFLTGVSLLPAVSAERCASVIFPAWYWRRRPKRLSAVVCALLWVLSLLVTCLHNYFCVFLGRGAPGAACRHMDIFLGILLFLLCCPLMVLPCLALILHVECRARRRQRSAKLNHVILAMVSVFLVSSIYLGIDWFLFWVFQIPAPFPEYVTDLCICINSSAKPIVYFLAGRDKSQRLWEPLRVVFQRALRDGAELGEAGGSTPNTVTMEMQCPPGNAS

6me6A

0.12

0.10

3.62

1.33

DEthreader

AQFRHGFDI--------EQLKTRNAYIQKY-LGD--GARPSWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKRNAGNLFLVSLALANLVVAFYPYPLILVAIFYDGWAFGEEHCKASAFVMGLSVIGSVWNITAIAIDRYLYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEY-----IQTASTQYTAAVVVIHFLPIAVVSFCYLRIWVLVLAMKKPLSDLRSFLTMFVVFVIFAICFAPLNCIGLAVANMAPIPEGLFVTSYLLAYFNSCLNPIVYGLLDQNFRREYKRILLALW-N-------------------------------

3c9lA

0.14

0.12

4.20

1.83

SPARKS-K

-------MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSN-FRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQSDFGPFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNDD------------------------------

1u19A

0.15

0.14

4.64

0.53

MapAlign

-----MNGTEGPNFYVPFSNKTGVV--RSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKLRTPLNYILLNLAVADLFMVFGFTTTLYTSLHGYFV-FGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVC--KPMNFRFGENHAIMGVAFTWVMALACAAPPLGWSRYIPEGMQCSCGIDYSFVIYMFVVHFIIPLIVIFCYGQLVFTVESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGDDEASTTVSKTETSQVA------------

2ziyA

0.12

0.11

4.03

0.30

CEthreader

-------------DLRDNETWWYNPSIIVHPHWREFDQVPDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTSLQTPANMFIINLAFSDFTFSLVNGFLMTISCFLKKWIFGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLWSVLWAIGPIFGWGAYTLEGVLCNCSFSTTRSNILCMFILGFFGPILIIFFCYFNIVMSVSANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFLEWVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAGESSDAAPSAD

2pedA

0.15

4.88

1.54

MUSTER

MNG-------TEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRF-GENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCC----------GKNPLGDDEASTTVSKTETSQVAPA

6kp6A

0.17

0.14

4.48

1.31

HHsearch

----------------------------------------TVEMVFIATVTGSLSLVTVVGNILVMLSIKVNRQQTVNNYFLFSLACADLIIGAFSMNLYTVYTIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAALMIAAAWVLSFVLWAPAILFWQFVVGKVPDNQCFAPAVTFGTAIAAFYLPVVITVLYIHIYLASRSRVHAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSIPDTVWSIGYWLCYVNSTIRPACYALCNAEFKKTFRHLLLCQ----------------------------------

5o9hA

0.25

0.20

6.15

2.98

FFAS-3D

------------------------------------------PDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLACLALPALFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPAWCQRFRGAGLAWILCAVAWGLALLLTIPSALYRVVREEYVDHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSARETRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSKKLDSLCVSFAYINCCINPIIYVVAGQGFQKSLPELL----REVLTEESVVR----------------------

4n6hA

0.16

0.15

4.83

0.95

EigenThreader

ATPPKLEDKSPDSPEMKDFRHGNAYIQKYLGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTTNIYIFNLALADALATSTLPFQSAKYLMETWPFG-ELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGPSPSWYWDTVTKICVFLFAVPILIITVCYGLMLLRLRSVR-LLSGSRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKG----------------------------------

4ww3A

0.13

0.11

3.92

1.55

CNFpred

------------------------------------------VYYSLGIFIGICGIIGCGGNGIVIYLFTKTSLQTPANMFIINLAFSDFTFSLVNGPLMTISCFLKKWIFGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLWSVLWAIGPIFGWGAYTLEGVLCNCS-RSNILCMFILGFFGPILIIFCYFNIVMSVSNHEK-NAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPWVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAGE---------

2ks9A

0.13

0.11

3.76

1.17

DEthreader

----------------------STNTSEP---N--QFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPL--QPRLSATATKVVICVIWVLALLLAFPQGYSTTETMIE-PEHPIYEKVYHICVTVLYFLPLLVIGYAYTVVGITLWSDRYVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPYFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPF------------------------LQTQGSVY

(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	0.7792

(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	0.87	2.28	0.111	0.945	model1_2ks9A.pdb.gz
2	1u19A	0.87	2.43	0.145	0.948	model1_1u19A.pdb.gz
3	4zwjA	0.81	3.12	0.121	0.921	model1_4zwjA.pdb.gz
4	2ziyA	0.80	2.94	0.119	0.892	model1_2ziyA.pdb.gz
5	6me6A	0.78	3.08	0.125	0.883	model1_6me6A.pdb.gz
6	6i9kA	0.75	2.56	0.142	0.810	model1_6i9kA.pdb.gz
7	5ztyA1	0.74	2.31	0.168	0.808	model1_5ztyA1.pdb.gz
8	6d26A1	0.74	3.18	0.193	0.840	model1_6d26A1.pdb.gz
9	6li0A	0.73	2.89	0.152	0.822	model1_6li0A.pdb.gz
10	4z34A	0.73	3.07	0.144	0.819	model1_4z34A.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:0004930	0.99	G-protein coupled 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:0065007	0.96	biological regulation
GO:0050789	0.96	regulation of biological process
GO:0050794	0.95	regulation of cellular process
GO:0007165	0.92	signal transduction
GO:0007186	0.89	G-protein coupled receptor signaling pathway
GO:0009987	0.84	cellular process
GO:0044699	0.78	single-organism process
GO:0044763	0.73	single-organism cellular process
GO:0050896	0.67	response to stimulus
GO:0032501	0.61	multicellular organismal process
GO:0008152	0.60	metabolic process
GO:0003008	0.60	system process
GO:0007267	0.58	cell-cell signaling
GO:0007187	0.58	G-protein coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0050877	0.57	neurological system process
GO:0048518	0.57	positive regulation of biological process
GO:0007268	0.57	chemical synaptic transmission
GO:0051716	0.56	cellular response to stimulus
GO:0019222	0.56	regulation of metabolic process
GO:0016043	0.56	cellular component organization
GO:0080090	0.55	regulation of primary metabolic process
GO:0070887	0.55	cellular response to chemical stimulus
GO:0051179	0.55	localization
GO:0048522	0.55	positive regulation of cellular process
GO:0048519	0.55	negative regulation of biological process
GO:0031323	0.55	regulation of cellular metabolic process
GO:0010033	0.55	response to organic substance
GO:0065008	0.54	regulation of biological quality
GO:0060255	0.54	regulation of macromolecule metabolic process
GO:0048523	0.54	negative regulation of cellular process
GO:0032502	0.54	developmental process
GO:0006810	0.54	transport
GO:0048583	0.53	regulation of response to stimulus
GO:0031325	0.53	positive regulation of cellular metabolic process
GO:0023051	0.53	regulation of signaling
GO:0010646	0.53	regulation of cell communication
GO:1901700	0.52	response to oxygen-containing compound
GO:0048584	0.52	positive regulation of response to stimulus
GO:0044767	0.52	single-organism developmental process
GO:0042127	0.52	regulation of cell proliferation
GO:0031399	0.52	regulation of protein modification process
GO:0010604	0.52	positive regulation of macromolecule metabolic process
GO:0009966	0.52	regulation of signal transduction
GO:0009719	0.52	response to endogenous stimulus
GO:0007166	0.52	cell surface receptor signaling pathway
GO:0071704	0.51	organic substance metabolic process
GO:0051239	0.51	regulation of multicellular organismal process
GO:0045937	0.51	positive regulation of phosphate metabolic process
GO:0044707	0.51	single-multicellular organism process
GO:0033993	0.51	response to lipid
GO:0032879	0.51	regulation of localization
GO:0031401	0.51	positive regulation of protein modification process
GO:0031326	0.51	regulation of cellular biosynthetic process
GO:0014070	0.51	response to organic cyclic compound
GO:0009967	0.51	positive regulation of signal transduction
GO:0009725	0.51	response to hormone
GO:0007188	0.51	adenylate cyclase-modulating G-protein coupled receptor signaling pathway
GO:0001932	0.51	regulation of protein phosphorylation
GO:1902578	0.50	single-organism localization
GO:1902533	0.50	positive regulation of intracellular signal transduction
GO:0071310	0.50	cellular response to organic substance
GO:0051384	0.50	response to glucocorticoid
GO:0051240	0.50	positive regulation of multicellular organismal process
GO:0051049	0.50	regulation of transport
GO:0048869	0.50	cellular developmental process
GO:0048856	0.50	anatomical structure development
GO:0044710	0.50	single-organism metabolic process
GO:0044057	0.50	regulation of system process
GO:0043408	0.50	regulation of MAPK cascade
GO:0043085	0.50	positive regulation of catalytic activity
GO:0042592	0.50	homeostatic process
GO:0022607	0.50	cellular component assembly
GO:0019219	0.50	regulation of nucleobase-containing compound metabolic process
GO:0010468	0.50	regulation of gene expression
GO:0009628	0.50	response to abiotic stimulus
GO:0009605	0.50	response to external stimulus
GO:0007610	0.50	behavior
GO:0001934	0.50	positive regulation of protein phosphorylation

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:0044464	1.00	cell part
GO:0044425	0.92	membrane part
GO:0044459	0.90	plasma membrane part
GO:0016021	0.88	integral component of membrane
GO:0005887	0.86	integral component of plasma membrane
GO:0044424	0.50	intracellular part

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	1jswB	0.413	4.79	0.059	0.563	4.3.1.1	NA
2	0.060	1fftA	0.522	5.76	0.060	0.781	1.10.3.-	NA
3	0.060	3czoB	0.421	6.43	0.063	0.697	4.3.1.3	107
4	0.060	1yfmA	0.416	4.87	0.043	0.566	4.2.1.2	NA
5	0.060	3d4sA	0.707	2.44	0.132	0.767	3.2.1.17	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	0.25	1hzxA	0.860	2.51	0.137	0.939	1.11	RET	complex1.pdb.gz	119,123,124,127,128,203,207,208,248,252,255,281
2	0.23	2hpyA	0.869	2.44	0.142	0.948	0.81	RET	complex2.pdb.gz	123,128,203,204,207,208,254,281
3	0.03	2rh1A	0.711	2.53	0.131	0.775	0.96	CLR	complex3.pdb.gz	56,60,63,64,94

	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.