D-I-TASSER Q68DA7-D3

D-I-TASSER results for Q68DA7-D3

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

Input Sequence in FASTA format

>Q68DA7 (397 residues)
GKVFNNSASQSSTHKQTSPVPSPLSPRLPSPQQHHRILRLPALPGEREAALNDSPCRKSR
VFSGCVSADTLEPPSSAKVTETKGASPAFLRAGQPRLVPGETLEKSLGPGKTTAEPQHQS
PPGISSEGFPWDGFNEQTPKDLPNRDGGAWVLGYRAGPACPFLLHEEREKSNRSELYLDL
HPDHSLTEQDDRTPGRLQAVWPPPKTKDTEEKVGLKYTEAEYQAAILHLKREHKEEIENL
QAQFELRAFHIRGEHAMITARLEETIENLKHELEHRWRGGCEERKDVCISTDDDCPPKTF
RNVCVQTDRETFLKPCESESKTTRSNQLVPKKLNISSLSQLSPPNDHKDIHAALQPMEGM
ASNQQKALPPPPASIPPPPPLPSGLGSLSPAPPMPPV

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| GKVFNNSASQSSTHKQTSPVPSPLSPRLPSPQQHHRILRLPALPGEREAALNDSPCRKSRVFSGCVSADTLEPPSSAKVTETKGASPAFLRAGQPRLVPGETLEKSLGPGKTTAEPQHQSPPGISSEGFPWDGFNEQTPKDLPNRDGGAWVLGYRAGPACPFLLHEEREKSNRSELYLDLHPDHSLTEQDDRTPGRLQAVWPPPKTKDTEEKVGLKYTEAEYQAAILHLKREHKEEIENLQAQFELRAFHIRGEHAMITARLEETIENLKHELEHRWRGGCEERKDVCISTDDDCPPKTFRNVCVQTDRETFLKPCESESKTTRSNQLVPKKLNISSLSQLSPPNDHKDIHAALQPMEGMASNQQKALPPPPASIPPPPPLPSGLGSLSPAPPMPPV
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCHHHCCCCCCCCCSSCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCSSSSCCCCCCCCCCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	9755689988777777899888888899996423554468998887754567887766666678888654578743455688888975567777788888751237886556788667899975533244345776665668888887531235678898754455444578887666789888965445668876668899999986533467666763112344227532402221356310000000121114788988877888343432115678763201120434579974446401102566677776677766567767887567565112589877887778878755545565668898888999999998877778888999999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| GKVFNNSASQSSTHKQTSPVPSPLSPRLPSPQQHHRILRLPALPGEREAALNDSPCRKSRVFSGCVSADTLEPPSSAKVTETKGASPAFLRAGQPRLVPGETLEKSLGPGKTTAEPQHQSPPGISSEGFPWDGFNEQTPKDLPNRDGGAWVLGYRAGPACPFLLHEEREKSNRSELYLDLHPDHSLTEQDDRTPGRLQAVWPPPKTKDTEEKVGLKYTEAEYQAAILHLKREHKEEIENLQAQFELRAFHIRGEHAMITARLEETIENLKHELEHRWRGGCEERKDVCISTDDDCPPKTFRNVCVQTDRETFLKPCESESKTTRSNQLVPKKLNISSLSQLSPPNDHKDIHAALQPMEGMASNQQKALPPPPASIPPPPPLPSGLGSLSPAPPMPPV
Prediction	7412242314443444333333303463543432231140334336543234543444341243233353033423242354644445434453342156541673455751455545541342224103462145513642445543322234443442332145544445555343446345425434642354045312455366454634364345424421261365247415524552424124144532420440453055045414643554454134221336562326415423142346432442645555355454235504252144342474455343424455434444644243362635522333453554544454458
	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                 360                 380

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCCCCHHHCCCCCCCCCSSCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCSSSSCCCCCCCCCCCCCCSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
GKVFNNSASQSSTHKQTSPVPSPLSPRLPSPQQHHRILRLPALPGEREAALNDSPCRKSRVFSGCVSADTLEPPSSAKVTETKGASPAFLRAGQPRLVPGETLEKSLGPGKTTAEPQHQSPPGISSEGFPWDGFNEQTPKDLPNRDGGAWVLGYRAGPACPFLLHEEREKSNRSELYLDLHPDHSLTEQDDRTPGRLQAVWPPPKTKDTEEKVGLKYTEAEYQAAILHLKREHKEEIENLQAQFELRAFHIRGEHAMITARLEETIENLKHELEHRWRGGCEERKDVCISTDDDCPPKTFRNVCVQTDRETFLKPCESESKTTRSNQLVPKKLNISSLSQLSPPNDHKDIHAALQPMEGMASNQQKALPPPPASIPPPPPLPSGLGSLSPAPPMPPV

5voxO

0.08

0.07

2.61

1.13

SPARKS-K

------MATALYTANDFILISLPQNAQPVTAWFNETLFKIPEKIGSLDTLIVKVDNQIGASIGIEILQGLNETSTNAYRTLPINNMPEYLENQTRKFKLDKSIKDLITLADVRATYAAAAERKKTGDLSVRSLHDIVKPEDFVLNSEHLTTVLVAVPKS-----LKSDFEKSYETLSKNVVPASASVIAEDA-EYVLFNVHLFKKNVQEFTTAAREKYSEELIDQLKKEHDSAASLEQSLRVQLVRLAKTAYVDVFINWFHIKALRVYVESVLRYG---LPPHFNIKIIAVPPKNL---------SKCKSELIDAFGFLGGNAFMKDKKGKINKQDTSLHQYASLVDTEYEPFVMYIINL-------------------------------------

2shpA

0.08

0.07

2.91

1.34

MapAlign

GVEAENLLLTRGVDGSFLARPSKSNPGDLTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATL---AELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRI-------------NAAEIESRVRELSKGFWEEFETLQQQECKLLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILID-------

2pffB

0.16

0.15

4.83

1.27

HHsearch

HGSLEHVLLVPTAS-------FFIASQL--QEQFNKILPEPT---EGFAADDEPTTPA--ELVGKFLGYVSSLVEPSKVGQFDQVLNLCLEFENCYLE-GNDIAAKLLQENDTTL--------VKTKELIKNYITARIAKRPFDKKSNSFRAVGEGNAQLVAIFGNTDDYFELYQTYLVLSEIRTTLDAKVFTQGLNILEWLPSNTPDKDYL--LSIPISCPLIGVIQL--AHYVVTAKLLAITVLFFIGVRCYEAYPNTSLPPSILEDSLE-----------NNEGVPSPMLSISNLT------QEQVQDYVNKTNSAGKQVEISLVNGAKLNLTLRKAKA-PSGLDQSRIPFSERKLKFSNRSHLLVPANIQIPVYDTFDSDLRVLSGSISELPV

2shpA

0.07

2.72

0.89

CEthreader

------------------KSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDLTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVL-SVRTGDNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDSDYINANIIMPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTE

6gmhQ

0.06

0.05

2.39

0.90

EigenThreader

GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGVEAMQAESCYQLARSFHVQEDYDQAFQYYYQATQFASSSFVLPFFGLGQMYIYRGDKENASQCFEKVLKAYPNNYETMKILGSLYAASEGHLKKVTEQYPDDVEAWIELAQILEQTDVPPEILNNVGALHFRLGNLGEAKKYFLASLDRTSYNLARLYEAMCAEKLYKNILREHCYLRLGAMARDKWFKEALQINGPGQKKFERILKQPSTQSDH-----QPTRDREKEKR------------HQDRALAIYKQVLRNDAKNLYAANGIGAVLAHKGYFREARDVFAQVREATADISDVWLNLAHIYVEQKQYISAVQMYENCLR

5mqfT

0.12

0.10

3.50

0.64

FFAS-3D

----NSLAYQRMSWEALKKSINGLINKVNISNISIIIQELLQENIVR------GRGLLSRSVLQAQSASPIFTHVYAALVAIINSKFPQIGELILKRLILNFRKGYRRNDKQLCLTASKFVAHLINQNVAHEVLCLEMLTLLLERPTDDSVEVAIGFLKECGLKLTQVSPRGINAIFERLRNILHESEIDKRVQYMIEVMFAVRKDINLVSFSSLDFEECAHKLLKMEFPESQTKELCNMILDFGLLAGRFCMLKKEYMESFEGIFKEQYDTIHR---LETNKLRNVALLYTDSLPWSVLECIKTTSSSRIFVK---------IFFQELCEYMGLPKLNARLKDETLQPFFEGLLPRDN--------------------------------------

7abiA

0.10

3.51

1.06

SPARKS-K

CNVMLESRFEKMYEKITAKNNVVINYKIRGLQFASLVMDLLVLGLHRASEMAGPPQMPNDF-LSFQDIATEAAHPIRLFCRYIDRIHIFFRFTADEARDLIQRYLTEHPDPNNENIVGYNNKKCWPRDARMRLMKHDVNDIKNRLPRSVTTVQWENSFVSVYSKDNPNLLFNMCGFECRILPK---CRTSYEEFTHKDGVWNLQNEVTKERTAQLRVDDESMQRFHNRVRQILMKIVNKWNTALIGLMTYFR-EAVVNTQELLDLLVKCENKIQTRIKIGLNSKM------PSRFPPVVFYT-----PKEL-----GGLGMLSMGHVLIPQS--------DLRWSKQTDVGIT-HFRSGMSHEEDQLIPNLYRYIQPWESEFIDSQRVWAEYALKRQ

5hamA

0.11

0.02

0.82

0.38

CNFpred

---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KEERALMLGDAKKREEILKLSDAEREKLKNDLLRGGEAQQQINEDILNRATKDIKDNG------KEAAVIPIEM---YGHWTVLVAKYDK----------------------------------------------------------------------------------------

5u1sA

0.07

0.05

1.83

0.67

DEthreader

KS-----------------------------------VKINNLGLASSEIIFLFNETNLFQ------AH-SLKNILLADFNDYYLSNLKLALIIYHILFHDYLLKDPNLKAALTKIVSFFVTTSCKVLFGFSKNLLHNYLEMGPNKI-YLNS----------FYLSYSMLYDGLDKIMLLDILS-----------------------------------------E-TTEVQRAIKISDDLNLTIIFVLSEICLSIITNLEISTFIFSLFAFCFTIFYGNSSILRG-------------------KMLLCYYELEDINNDHNLPMSLYKVLGLALKSLSFSFFYSKLSRISDLEEP-----------------------------------------

6ar6A

0.06

2.41

1.34

MapAlign

--YDSVLFQKNIEDSEIAYYYNPGDGEIQEIDKYKIPIISDRPKIKLTFIGHGKDEFNTDIFAGFDVDSLSTEIEAAIDLAKEDISPKSIEINLLGCNMFSYSINVEETYPGKLLLKVKDKISELMPSISQDSIIVSANQYEVRINSEGRRELLDHSGEWINKE------------------------ESIIKDISSKEYISFNPKENKITVKSKNLPELSTLLQEIRNNSNELEEKVMLTECEINVISNIDTQIINYIKDEFKLIESISDALCDLKQQNELEDSHFISFEDISETDEGFSIRFINKETGESIFVETEKTIFSEYANHITEEISKIKGTIFDTVNGKLVKKVNLDTTHEVNTLNAAFFIQSLIEYNSSKESLSNLSVAMK-------

(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	0.4198

(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	6r9tA	0.41	7.21	0.058	0.698	model1_6r9tA.pdb.gz
2	7bwmA2	0.40	6.35	0.068	0.627	model1_7bwmA2.pdb.gz
3	2vdcA	0.40	7.21	0.044	0.685	model1_2vdcA.pdb.gz
4	6i33A	0.40	7.23	0.042	0.690	model1_6i33A.pdb.gz
5	1aorA	0.40	6.35	0.065	0.617	model1_1aorA.pdb.gz
6	4lglA	0.40	7.21	0.037	0.683	model1_4lglA.pdb.gz
7	4av3A	0.39	6.18	0.032	0.579	model1_4av3A.pdb.gz
8	1llwA2	0.35	6.88	0.052	0.579	model1_1llwA2.pdb.gz
9	4z3wA1	0.33	6.62	0.061	0.536	model1_4z3wA1.pdb.gz
10	1gph1	0.29	7.30	0.037	0.506	model1_1gph1.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:0008092	0.77	cytoskeletal protein binding
GO:0017124	0.74	SH3 domain binding
GO:0008017	0.74	microtubule binding

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:0044699	0.95	single-organism process
GO:0009987	0.95	cellular process
GO:0044763	0.93	single-organism cellular process
GO:0044767	0.88	single-organism developmental process
GO:0065007	0.87	biological regulation
GO:0048856	0.87	anatomical structure development
GO:0065008	0.84	regulation of biological quality
GO:0090066	0.83	regulation of anatomical structure size
GO:0009653	0.83	anatomical structure morphogenesis
GO:0016043	0.82	cellular component organization
GO:0008152	0.80	metabolic process
GO:0050794	0.77	regulation of cellular process
GO:0071704	0.76	organic substance metabolic process
GO:0048869	0.76	cellular developmental process
GO:0048522	0.74	positive regulation of cellular process
GO:0048513	0.74	animal organ development
GO:0043170	0.74	macromolecule metabolic process
GO:0033043	0.74	regulation of organelle organization
GO:0072092	0.73	ureteric bud invasion
GO:0060173	0.73	limb development
GO:0051894	0.73	positive regulation of focal adhesion assembly
GO:0051127	0.73	positive regulation of actin nucleation
GO:0048813	0.73	dendrite morphogenesis
GO:0048705	0.73	skeletal system morphogenesis
GO:0035137	0.73	hindlimb morphogenesis
GO:0035136	0.73	forelimb morphogenesis
GO:0030838	0.73	positive regulation of actin filament polymerization
GO:0010467	0.73	gene expression
GO:0001822	0.73	kidney development

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:0044424	0.95	intracellular part
GO:0043226	0.86	organelle
GO:0043229	0.85	intracellular organelle
GO:0043227	0.83	membrane-bounded organelle
GO:0043231	0.82	intracellular membrane-bounded organelle
GO:0005737	0.82	cytoplasm
GO:0043232	0.81	intracellular non-membrane-bounded organelle
GO:0005856	0.77	cytoskeleton
GO:0005634	0.75	nucleus
GO:0015630	0.73	microtubule cytoskeleton

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	1ea0A	0.360	7.25	0.037	0.625	1.4.1.13	NA
2	0.060	2cseW	0.353	6.89	0.054	0.582	3.6.4.13	NA
3	0.060	1zj9B	0.378	6.73	0.032	0.617	1.8.7.1	NA
4	0.060	1qdbA	0.366	6.38	0.061	0.569	1.7.2.2	NA
5	0.060	1aorB	0.399	6.37	0.062	0.622	1.2.7.5	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:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.01	1qdbB	0.367	6.20	0.065	0.562	0.14	HEM	complex1.pdb.gz	171,172,181
	2	0.01	1aor0	0.397	6.35	0.065	0.617	0.12	III	complex2.pdb.gz	122,123,133

	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.