D-I-TASSER Q15846-D1

D-I-TASSER results for Q15846-D1

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

Input Sequence in FASTA format

>Q15846 (383 residues)
MKPPLLVFIVCLLWLKDSHCAPTWKDKTAISENLKSFSEVGEIDADEEVKKALTGIKQMK
IMMERKEKEHTNLMSTLKKCREEKQEALKLLNEVQEHLEEEERLCRESLADSWGECRSCL
ENNCMRIYTTCQPSWSSVKNKIERFFRKIYQFLFPFHEDNEKDLPISEKLIEEDAQLTQM
EDVFSQLTVDVNSLFNRSFNVFRQMQQEFDQTFQSHFISDTDLTEPYFFPAFSKEPMTKA
DLEQCWDIPNFFQLFCNFSVSIYESVSETITKMLKAIEDLPKQDKAPDHGGLISKMLPGQ
DRGLCGELDQNLSRCFKFHEKCQKCQAHLSEDCPDVPALHTELDEAIRLVNVSNQQYGQI
LQMTRKHLEDTAYLVEKMRGQFG

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKPPLLVFIVCLLWLKDSHCAPTWKDKTAISENLKSFSEVGEIDADEEVKKALTGIKQMKIMMERKEKEHTNLMSTLKKCREEKQEALKLLNEVQEHLEEEERLCRESLADSWGECRSCLENNCMRIYTTCQPSWSSVKNKIERFFRKIYQFLFPFHEDNEKDLPISEKLIEEDAQLTQMEDVFSQLTVDVNSLFNRSFNVFRQMQQEFDQTFQSHFISDTDLTEPYFFPAFSKEPMTKADLEQCWDIPNFFQLFCNFSVSIYESVSETITKMLKAIEDLPKQDKAPDHGGLISKMLPGQDRGLCGELDQNLSRCFKFHEKCQKCQAHLSEDCPDVPALHTELDEAIRLVNVSNQQYGQILQMTRKHLEDTAYLVEKMRGQFG
Prediction	CCCCHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHCCCSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHC
Confidence	99615999999999604444677778889867899998976778899999999999999999876269999999999999999999999999999999999999999999999998999987778888634665125788999999725772452276323445212201357799999999999999899999987788775011221221102467766678887777777552213456667886325553144216788999999999999998601113344557765555788886415777212054367899999999999731889689999999999999999999999999999998679999999998709
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKPPLLVFIVCLLWLKDSHCAPTWKDKTAISENLKSFSEVGEIDADEEVKKALTGIKQMKIMMERKEKEHTNLMSTLKKCREEKQEALKLLNEVQEHLEEEERLCRESLADSWGECRSCLENNCMRIYTTCQPSWSSVKNKIERFFRKIYQFLFPFHEDNEKDLPISEKLIEEDAQLTQMEDVFSQLTVDVNSLFNRSFNVFRQMQQEFDQTFQSHFISDTDLTEPYFFPAFSKEPMTKADLEQCWDIPNFFQLFCNFSVSIYESVSETITKMLKAIEDLPKQDKAPDHGGLISKMLPGQDRGLCGELDQNLSRCFKFHEKCQKCQAHLSEDCPDVPALHTELDEAIRLVNVSNQQYGQILQMTRKHLEDTAYLVEKMRGQFG
Prediction	53010102000001032110013256552357304402540352025304400300430242055455504501540551465145025305403530562463045115401640350055302411120453343144302500342121101134644634534653454534045135303401530340033004104413530453133201442514433223423443135441264240430141033133310420241034025204512633543745333454345733220340251013024037205403610262025265025304400400430363045005303420320230053037528
	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

CCCCHHHHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHCCCSSSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHC
MKPPLLVFIVCLLWLKDSHCAPTWKDKTAISENLKSFSEVGEIDADEEVKKALTGIKQMKIMMERKEKEHTNLMSTLKKCREEKQEALKLLNEVQEHLEEEERLCRESLADSWGECRSCLENNCMRIYTTCQPSWSSVKNKIERFFRKIYQFLFPFHEDNEKDLPISEKLIEEDAQLTQMEDVFSQLTVDVNSLFNRSFNVFRQMQQEFDQTFQSHFISDTDLTEPYFFPAFSKEPMTKADLEQCWDIPNFFQLFCNFSVSIYESVSETITKMLKAIEDLPKQDKAPDHGGLISKMLPGQDRGLCGELDQNLSRCFKFHEKCQKCQAHLSEDCPDVPALHTELDEAIRLVNVSNQQYGQILQMTRKHLEDTAYLVEKMRGQFG

2w6dA

0.07

2.74

1.02

EigenThreader

CTLGERRYLENYIVRESLIDPDDVEELQASENRLRQVFNANLAEYCTFLTRERAIAELRQVRTLARLACNHTREAVARRIPLLEQELKKRIDSVEPEFNKLTGIRDEFQKEIINTRDTQARTISESFRSYVLNLGNTFENDFLRY----------QPELNSGKREAFNAALQKAFEQYITDKSAAWTLTAEKDINAAFKELSRSASQYGASYNQITDVEDNSPGWAKWAMGLLSLSKAGFALAGAGFDWKNILLNYFTVIGIGGIGILLGPIGFALLGLGVGFLQADQARRELVKTAKKELVKHLPQVAHEQSQVVYNAVKECFDSYEREVSKRINDDIVSRKSELDNLVKQKQSEFNRLKNLQEDVIAQLQKIEAAYSNLLA

5lm1A

0.12

0.09

3.24

1.08

FFAS-3D

------------------------------HEASSLYSEEKAKLLREMMAKIEDKNEVLDQFMDSRPDTVRNLVQSMQVLSGVFTDVEASLKDIRDLLEEDELLEQKFQEAVGKAELAEVRREWAKYMEVHEKASFT-NSELHRAMNLHVGNLRLLSGPLDAALPTPALSPEDKAVLQNLKR----ILAKVQEMRDQRVSLEQQLRELIQKDDITASLVTTDHSE--------------------------MKKLFEEQLKKYDQLKVYLEQNLAAQDR------------------------VLCALTEANVQYAAVRRVLSDLDQKWNSTLQTLVASYEAYEDLMKKSQEGRDFYADLESKVAALLERTQSTCQAREAA--

2j68A

0.09

0.08

3.08

1.01

CNFpred

--PKFMDSLNTFLTRER------------AIAELRQVR----TLARLACNHTREAVARRIPLLEQDVNELKKRIDSVEPEFNKLTGIREFQKEIINTRDTQARTISESFRSYVLNLGNTFENDFLRYQPEL--FNAALQKAFEQYITDKSAAWT------------LTAEKDINAAFKELSRSASQYGASYNQITDQITEKLTGK-EDNSPGWAKWAMGLLSLSKGNLA---FALAGAGFDWKNILLNYFTVIGIGGIITAVTGILLGPIGFALLGLGVGFLQADQARRELVKTAKK----KHLPQVAHEQSQVVYAVKECFDSYEREVSKRIDDIVSRKSELDNLVKQ-ESEFNRLKNLQEDVIAQLQKIEAAYSNLLAYYS

2w6dA

0.07

2.83

1.18

MapAlign

ASENRLRQVFNANLAEYCTVEGQNIYDERVSIQALRRRMDSLNTFLTRERAIAELRQVRTLARLACNHTREAVARRIPLLEQDVNELKKRIDSVEPEFNKLTGIRDEFQKEIINTRTQARTISESFRSYVLNLGNTFENDFLRLFDFLSSGKREAFNAALQKAFEQYITDKSAAWTLTAEKDINAAFKELSRSASQYGASYNQITDQITETGKDVEDNSPGWAKWAMGLLSLSKGNLAGFALAGAGFDWKNILLNYFTVIGIGGIITAVTGILLGPIGFALLGLGVGFLQADQARRELVKTAKKELVKHLPQVAHEVYNAVKECFDSYEREVSRINDDIVSRKSELDNLVKQKESEFNRLKNLQEDVIAQLQKIEAAYSNLLA

2w6dA

0.07

2.76

0.70

CEthreader

LRQVFNANLAEYCTVEGQNIYDEQALRRRLKNPQADLDGTGFPKFMDSLNTFLTRERAIAELRQVRTLARLACNHTREAVARRIPLLEQDVNELKKRIDSVEPEFNKLTGIRDEFQKEIINTRDTQARTISESFRSYVLNLGNTFENDFLRYQPELNLFDSSGKREAFNAALQKAFEQYITDKSAAWTLTAEKDINAAFKELSRSASQYGWAKWAMGLLSLSKGNLAGFALAGAGFDWKNILLNYFTVIGIGGIITAVTGILLGPIGFALLGLGVGFLQADQARRELVKTAKKELVKHLPQVAHEQSQVVYNAVKECFDSYEREVSKRINDDIVSRKSELDNLVKQKQTREINRESEFNRLKNLQEDVIAQLQKIEAAYSNLL

6f1tX

0.07

0.05

2.15

0.95

EigenThreader

VIRQKEKDLVLAARLGKALLERNQDMSRQYEQMHKELTDKLEHLEQEKHELRRRFENREGEWEGRVSELETDVKQLQDELERQQLHLREADREKTRAVQELSEQNQRLLDQLSRASEVERQLSMQVHALKEDFREKNSSTNQHIIRLESLQAEIKMLSDRKRELEHRLSATLEENDLLQGTVEELQDRVLILERQGHDKDLQLHQSQLELQEVRLSYRQLQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--------------------------------------------------------------------------------------------------

5i6jA

0.08

0.07

2.62

1.07

FFAS-3D

------------------------------DTQVKEIRAEQMKCLDQQCELRVQLLQDLQDFFRKKAEIEMDYSRNLEKLAERLNQVKRESRDHTTLSDIYLNNIIPRFVQVSEDSFKKSKEVGQQLQDDLMKVLNELYSVMKTYHMYNADSISAQSKLKEAEKQEVKKIEKMKEKRQAKYTENKLKAIKARNEYLLALEATNASVFKYYIHDLSDLIDQCCDLG------------------YHASLNRALRTFLSAELNLEQSKHEGLDAIENAVENLDEFQPHMGDMASQLCAQQPVQSELVQRCQQLQSRLSTLKIENEEVKKTM-------EATLQTIQDIVANQQETEQFYFTKMKEYLEGRNLITKLHDLLQKTLG

6r9tA

0.09

0.08

3.21

0.90

SPARKS-K

AARDVAGGLRSLAQAARGVAALTSD---------PAVQAIVLDTASDVLDKASSLIEEAKKAAGHDPESQQRLAQVAKAVTQALNRCVSCVDNALRAVGDASKRLLEAQSRLNEAAAGLNQAATELVQA-SRGTPQDLARASGRFGQDFSTFLGVEMAGQAPSQEDRAQVVSNLKGISMSSSKLLLAAKALSQLAAAARAVTDSINQLITMCALRELETVRELLENPVQPI---NDMSYFGCLDSVVLGEAMTGISQNAKNNLPEFGDAISTASKALCGFTEAAAQAAYLVGVSDPNSQAGQQGLVEP----TQFARANQAIQMACQSLGEPGCTQAQVLSAATIVAKHTSALCNSCRLASPTAKRQFVQSAKEVANSTANLV

5j1iA

0.10

0.07

2.74

1.01

CNFpred

-------CQRCISELKDIR------------LQLEACETRTVHRLRLPLKEPARECAQRIAEQQKAQAEVEGLGKGVARLSAEAEKVLALAPTLRSELELTLGKLEQ-VRSLSAIYLEKLK-TISLVIRGT----QGAEEVLRAHEEQLKEAQAVPA--------TLPELEATKASLKKLRAQAEAQQPTFDALRDELQEVGERLQQRHGERDVE---------------------------------VERWRERVAQLLERWQAVLAQTDVRQRELEQL------------------------GRQLRYYRESADPLGAWLQDARRRQEQI-QAVREQLRQEQALLEEIERHGEKVEECQRFAKQYINAIKDYELQLVTYKA

1ciiA

0.11

0.06

2.18

0.67

DEthreader

AIEYGFRTEIAGYDALRLHTESRMLFADADIAERQKDAQNADKKAADMLAEYERRKGILDTRLSELEKNGGAALAVLDAQQARLLGQQTRNDRAISEARNKLSSVTESLNTARNALTRAEQQLTQQKNTPGKTVSPEKFPG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITSAESAVNSARNNLSARTNEQKHANDALNALLKEKENIRNQLSGINQKIAEEKRKQDELKATKDAINTAGGL

(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	0.582

(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	7p54A	0.42	5.11	0.039	0.564	model1_7p54A.pdb.gz
2	7p5cA	0.41	5.45	0.046	0.569	model1_7p5cA.pdb.gz
3	7p5jA	0.41	4.51	0.044	0.522	model1_7p5jA.pdb.gz
4	6r3qA	0.40	5.72	0.043	0.580	model1_6r3qA.pdb.gz
5	5azoA	0.39	4.86	0.109	0.512	model1_5azoA.pdb.gz
6	7ogtB	0.39	4.12	0.053	0.473	model1_7ogtB.pdb.gz
7	7k65A	0.38	6.54	0.039	0.601	model1_7k65A.pdb.gz
8	1ciiA	0.38	4.28	0.067	0.470	model1_1ciiA.pdb.gz
9	4mt0A	0.38	4.73	0.031	0.488	model1_4mt0A.pdb.gz
10	3pikA	0.38	5.63	0.050	0.525	model1_3pikA.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:0003824	0.88	catalytic activity
GO:0016787	0.87	hydrolase activity
GO:0051787	0.86	misfolded protein binding
GO:0031625	0.86	ubiquitin protein ligase binding
GO:0016887	0.86	ATPase 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	0.93	biological regulation
GO:0050789	0.93	regulation of biological process
GO:0050794	0.92	regulation of cellular process
GO:0010941	0.91	regulation of cell death
GO:0009987	0.78	cellular process
GO:0050896	0.61	response to stimulus
GO:0065008	0.60	regulation of biological quality
GO:0051128	0.60	regulation of cellular component organization
GO:0048519	0.60	negative regulation of biological process
GO:0080090	0.59	regulation of primary metabolic process
GO:0051179	0.59	localization
GO:0048523	0.59	negative regulation of cellular process
GO:0048518	0.59	positive regulation of biological process
GO:0031326	0.59	regulation of cellular biosynthetic process
GO:0006950	0.59	response to stress
GO:0051246	0.58	regulation of protein metabolic process
GO:0051234	0.58	establishment of localization
GO:0051129	0.58	negative regulation of cellular component organization
GO:0044093	0.58	positive regulation of molecular function
GO:0031325	0.58	positive regulation of cellular metabolic process
GO:0023051	0.58	regulation of signaling
GO:0019219	0.58	regulation of nucleobase-containing compound metabolic process
GO:0010646	0.58	regulation of cell communication
GO:0010556	0.58	regulation of macromolecule biosynthetic process
GO:0010033	0.58	response to organic substance
GO:2001244	0.57	positive regulation of intrinsic apoptotic signaling pathway
GO:2000060	0.57	positive regulation of protein ubiquitination involved in ubiquitin-dependent protein catabolic process
GO:1902230	0.57	negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage
GO:0097193	0.57	intrinsic apoptotic signaling pathway
GO:0061077	0.57	chaperone-mediated protein folding
GO:0051788	0.57	response to misfolded protein
GO:0051092	0.57	positive regulation of NF-kappaB transcription factor activity
GO:0050821	0.57	protein stabilization
GO:0032463	0.57	negative regulation of protein homooligomerization
GO:0032436	0.57	positive regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:1901214	0.55	regulation of neuron death
GO:0044699	0.53	single-organism process

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:0044444	1.00	cytoplasmic part
GO:0032991	0.90	macromolecular complex
GO:0044421	0.87	extracellular region part
GO:0048471	0.86	perinuclear region of cytoplasm
GO:0034366	0.86	spherical high-density lipoprotein particle
GO:0031012	0.86	extracellular matrix
GO:0005615	0.86	extracellular space
GO:0016020	0.85	membrane
GO:0044425	0.71	membrane part
GO:0016021	0.70	integral component of membrane
GO:0043231	0.64	intracellular membrane-bounded organelle
GO:0044422	0.52	organelle 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	1w36B	0.289	6.75	0.056	0.470	3.1.11.5	NA
2	0.060	2b5uA	0.297	2.95	0.080	0.332	3.1.-.-	NA
3	0.060	1ynnJ	0.154	5.86	0.031	0.232	2.7.7.6	45,51
4	0.060	1w36C	0.234	6.13	0.027	0.347	3.1.11.5	53
5	0.060	1v0jA	0.291	7.01	0.038	0.496	5.4.99.9	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	0.01	1fzc9	0.163	2.98	0.097	0.183	0.89	III	complex1.pdb.gz	41,45,48,51,52,55,59,62,66,69,73,75,76
2	0.01	2w6dB	0.337	6.33	0.029	0.512	0.48	CPL	complex2.pdb.gz	51,52,54
3	0.01	1fzc7	0.163	2.98	0.097	0.183	0.87	III	complex3.pdb.gz	42,45,52,55,56,59,62,66,67,68,70,71,72,73,75,77,78,79,80,81,188,198

	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.